A9CBJ4_SCHMA Loading...

UV excision repair protein RAD23

Multiubiquitin chain receptor involved in modulation of proteasomal degradation. Involved in nucleotide excision repair.

AlphaFold DB , UniProt , Accession A9CBJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Rad23, Length 354 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M86.2Confident88.1Confident57 Ų5770.7 Ų70.728%0.28134%0.342SS..  0125.40-179.5-177.4-154.900106.2D16 F17 E19 V63 E65M1-D16 VanDerWaalsContact C-OD2 3.24Å; M1-D16 PolarHBondContact N-OD1 2.96Å; M1-D16 PolarHBondContact N-OD2 3.37Å; M1-D16 WeakPolarHBondContact O-CA 3.31Å; M1-F17 WeakPolarHBondContact CA-O 3.17Å; M1-F17 WeakPolarHBondContact CB-O 3.45Å; M1-F17 PolarHBondContact N-O 3.39Å; M1-F17 PolarHBondContact O-N 3.44Å; M1-F17 VanDerWaalsContact O-O 3.1Å; M1-E19 HydrophobicContact SD-CG 3.89Å; M1-V63 VanDerWaalsContact CE-O 3.24Å; M1-V63 WeakPolarHBondContact CE-O 3.41Å; M1-E65 HydrophobicContact CE-CB 4.36Å
2K86.9Confident88.2Confident117 Ų11771.3 Ų71.351%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-80.9124.4179.8-69.8179-176.6176.20109.4V14 E65K2-V14 HydrophobicContact CB-CG1 3.72Å; K2-V14 HydrophobicContact CD-CG1 4.34Å; K2-V14 HydrophobicContact CG-CG1 4.16Å; K2-E65 HydrophobicContact CB-CG 4.08Å; K2-E65 WeakPolarHBondContact O-CA 3.37Å
3V89.5Confident88.4Confident1 Ų168.1 Ų68.11%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-114.7125.6177.2-177.30000108F5 V14 L15 F17 L58 V63 V69V3-F5 HydrophobicContact CB-CD2 4.48Å; V3-F5 HydrophobicContact CB-CE2 3.6Å; V3-F5 HydrophobicContact CB-CZ 3.86Å; V3-F5 HydrophobicContact CG1-CD2 4.26Å; V3-F5 HydrophobicContact CG1-CE1 4.05Å; V3-F5 HydrophobicContact CG1-CE2 3.54Å; V3-F5 HydrophobicContact CG1-CZ 3.43Å; V3-F5 VanDerWaalsContact CG1-CZ 3.43Å; V3-F5 VanDerWaalsContact O-CD2 3.28Å; V3-F5 WeakPolarHBondContact O-CD2 3.39Å; V3-F5 WeakPolarHBondContact O-CE2 3.43Å; V3-V14 WeakPolarHBondContact O-CA 3.42Å; V3-L15 PolarHBondContact N-O 2.77Å; V3-L15 PolarHBondContact O-N 3.27Å; V3-F17 HydrophobicContact CB-CD2 4.38Å; V3-F17 HydrophobicContact CG2-CD2 4.38Å; V3-L58 HydrophobicContact CG2-CD2 3.75Å; V3-V63 HydrophobicContact CB-CG1 4.49Å; V3-V63 HydrophobicContact CG1-CG1 3.65Å; V3-V63 HydrophobicContact CG2-CG1 4.1Å; V3-V69 HydrophobicContact CG1-CG2 3.89Å
4T90.6Very high88.6Confident35 Ų3568.9 Ų68.922%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-86.3125177.2-54.90000109.1T12 V14 G67 F68 V69T4-T12 HydrophobicContact CG2-CG2 3.23Å; T4-V14 HydrophobicContact CG2-CG2 4.37Å; T4-G67 WeakPolarHBondContact CB-O 3.08Å; T4-F68 HydrophobicContact CG2-CB 4.26Å; T4-F68 CarbonylContact O-C 3.52Å; T4-F68 WeakPolarHBondContact O-CA 3.33Å; T4-V69 PolarHBondContact O-N 2.59Å
5F91.3Very high88.6Confident2 Ų265.8 Ų65.81%0.00933%0.331CS..EExtended strand (participates in β ladder)trans-111.3136.7176.6-64.8-86.8000109.5V3 T12 F13 L15 F17 V26 I30 L45 V69 V71V3-F5 HydrophobicContact CB-CD2 4.48Å; V3-F5 HydrophobicContact CB-CE2 3.6Å; V3-F5 HydrophobicContact CB-CZ 3.86Å; V3-F5 HydrophobicContact CG1-CD2 4.26Å; V3-F5 HydrophobicContact CG1-CE1 4.05Å; V3-F5 HydrophobicContact CG1-CE2 3.54Å; V3-F5 HydrophobicContact CG1-CZ 3.43Å; V3-F5 VanDerWaalsContact CG1-CZ 3.43Å; V3-F5 VanDerWaalsContact O-CD2 3.28Å; V3-F5 WeakPolarHBondContact O-CD2 3.39Å; V3-F5 WeakPolarHBondContact O-CE2 3.43Å; F5-T12 CarbonylContact O-C 3.59Å; F5-T12 VanDerWaalsContact O-CA 3.28Å; F5-T12 WeakPolarHBondContact O-CA 3.33Å; F5-F13 HydrophobicContact CB-CD1 3.99Å; F5-F13 HydrophobicContact CB-CD2 3.99Å; F5-F13 HydrophobicContact CB-CE1 3.53Å; F5-F13 HydrophobicContact CB-CE2 3.53Å; F5-F13 HydrophobicContact CB-CG 4.22Å; F5-F13 HydrophobicContact CB-CZ 3.29Å; F5-F13 HydrophobicContact CD2-CD2 4.32Å; F5-F13 AromaticContact CD2-CE2 3.92Å; F5-F13 HydrophobicContact CD2-CE2 3.92Å; F5-F13 HydrophobicContact CD2-CZ 4.46Å; F5-F13 AromaticContact CG-CE2 3.87Å; F5-F13 HydrophobicContact CG-CE2 3.87Å; F5-F13 AromaticContact CG-CZ 3.94Å; F5-F13 HydrophobicContact CG-CZ 3.94Å; F5-F13 PolarHBondContact N-O 2.86Å; F5-F13 PolarHBondContact O-N 3.24Å; F5-L15 HydrophobicContact CD2-CB 4.29Å; F5-L15 HydrophobicContact CD2-CD1 4.31Å; F5-L15 HydrophobicContact CD2-CG 4.34Å; F5-L15 HydrophobicContact CE2-CB 3.95Å; F5-L15 HydrophobicContact CE2-CD1 4.27Å; F5-L15 HydrophobicContact CE2-CG 4.39Å; F5-F17 HydrophobicContact CE2-CD2 4.04Å; F5-F17 AromaticContact CE2-CE2 3.52Å; F5-F17 HydrophobicContact CE2-CE2 3.52Å; F5-F17 HydrophobicContact CZ-CD2 4.07Å; F5-F17 AromaticContact CZ-CE2 3.6Å; F5-F17 HydrophobicContact CZ-CE2 3.6Å; F5-V26 HydrophobicContact CE1-CG1 3.72Å; F5-V26 HydrophobicContact CZ-CG1 3.53Å; F5-I30 HydrophobicContact CD1-CD1 3.69Å; F5-I30 HydrophobicContact CE1-CD1 3.65Å; F5-I30 HydrophobicContact CG-CD1 4.28Å; F5-I30 HydrophobicContact CZ-CD1 4.22Å; F5-L45 HydrophobicContact CD1-CD2 4.05Å; F5-L45 HydrophobicContact CE1-CD2 4.07Å; F5-V69 CarbonylContact C-O 3.16Å; F5-V69 VanDerWaalsContact CA-O 3.26Å; F5-V69 WeakPolarHBondContact CA-O 3.16Å; F5-V69 HydrophobicContact CD1-CB 3.79Å; F5-V69 HydrophobicContact CD1-CG1 4.12Å; F5-V69 HydrophobicContact CE1-CB 3.91Å; F5-V69 HydrophobicContact CE1-CG1 4.11Å; F5-V69 HydrophobicContact CE1-CG2 4.31Å; F5-V71 HydrophobicContact CB-CG2 3.85Å; F5-V71 HydrophobicContact CD1-CG2 3.81Å; F5-V71 HydrophobicContact CG-CG2 4.25Å
6K90.9Very high88.6Confident49 Ų4967.9 Ų67.921%0.21334%0.344CS..EExtended strand (participates in β ladder)trans-124.5121.9-179.3-172.8179.8172.6-171.90109.9Q11 F68 V69 V70 V71K6-Q11 CarbonylContact C-O 3.55Å; K6-Q11 WeakPolarHBondContact CA-O 3.41Å; K6-F68 HydrophobicContact CB-CD2 4.43Å; K6-F68 HydrophobicContact CD-CD2 4.5Å; K6-V69 PolarHBondContact N-O 2.72Å; K6-V70 CarbonylContact O-C 3.52Å; K6-V70 WeakPolarHBondContact O-CA 3.19Å; K6-V71 PolarHBondContact O-N 3.31Å
7T89.8Confident88.5Confident4 Ų464.5 Ų64.53%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-79.5166.5177.471.50000111.2M9 Q10 Q11 F13 W34 F38T7-M9 PolarHBondContact O-N 3.16Å; T7-M9 PolarHBondContact OG1-N 3Å; T7-Q10 PolarHBondContact O-N 3.5Å; T7-Q10 VanDerWaalsContact O-N 3.08Å; T7-Q11 HydrophobicContact CG2-CB 4.43Å; T7-Q11 PolarHBondContact N-O 3.12Å; T7-Q11 WeakPolarHBondContact OG1-CB 3.48Å; T7-Q11 PolarHBondContact OG1-N 3.29Å; T7-F13 HydrophobicContact CG2-CD1 4.43Å; T7-F13 HydrophobicContact CG2-CE1 3.86Å; T7-W34 HydrophobicContact CG2-CD2 4.41Å; T7-W34 HydrophobicContact CG2-CE3 4.24Å; T7-W34 HydrophobicContact CG2-CH2 3.85Å; T7-W34 HydrophobicContact CG2-CZ2 3.98Å; T7-W34 HydrophobicContact CG2-CZ3 3.95Å; T7-F38 HydrophobicContact CG2-CE2 4.06Å; T7-F38 HydrophobicContact CG2-CZ 3.73Å
8L86.5Confident88.3Confident133 Ų13367.9 Ų67.970%0.69634%0.341SS*.THydrogen-bonded Turntrans-61.6-24.2172.2-162.371.1000112.4Q10 M72L8-Q10 PolarHBondContact O-N 3.4Å; L8-M72 HydrophobicContact CD2-CE 4.44Å
9M84.9Confident88Confident138 Ų13869.9 Ų69.968%0.6835%0.349SS*.THydrogen-bonded Turntrans-8014.6174.9-58.6-170.676.900113.4T7 Q11T7-M9 PolarHBondContact O-N 3.16Å; T7-M9 PolarHBondContact OG1-N 3Å; M9-Q11 HydrophobicContact CB-CG 4.37Å; M9-Q11 PolarHBondContact O-N 3.35Å
10Q84.7Confident87.9Confident133 Ų13372.9 Ų72.962%0.62137%0.366SS*.SBendtrans64.310179.6-167.965.740.600113.8T7 L8T7-Q10 PolarHBondContact O-N 3.5Å; T7-Q10 VanDerWaalsContact O-N 3.08Å; L8-Q10 PolarHBondContact O-N 3.4Å
11Q87.8Confident87.9Confident109 Ų10971.3 Ų71.351%0.50936%0.359SS..  trans-78.4136.1173.8-62.9-68.7-25.300110.2K6 T7 M9 W34K6-Q11 CarbonylContact C-O 3.55Å; K6-Q11 WeakPolarHBondContact CA-O 3.41Å; T7-Q11 HydrophobicContact CG2-CB 4.43Å; T7-Q11 PolarHBondContact N-O 3.12Å; T7-Q11 WeakPolarHBondContact OG1-CB 3.48Å; T7-Q11 PolarHBondContact OG1-N 3.29Å; M9-Q11 HydrophobicContact CB-CG 4.37Å; M9-Q11 PolarHBondContact O-N 3.35Å; Q11-W34 HydrophobicContact CB-CH2 3.42Å; Q11-W34 VanDerWaalsContact CB-CH2 3.42Å; Q11-W34 HydrophobicContact CB-CZ2 4.09Å; Q11-W34 HydrophobicContact CB-CZ3 4.36Å; Q11-W34 HydrophobicContact CG-CH2 3.92Å
12T89.7Confident88Confident78 Ų7873 Ų7348%0.47937%0.368SS..EExtended strand (participates in β ladder)trans-120.8134.5-177.5-54.10000109.9T4 F5T4-T12 HydrophobicContact CG2-CG2 3.23Å; F5-T12 CarbonylContact O-C 3.59Å; F5-T12 VanDerWaalsContact O-CA 3.28Å; F5-T12 WeakPolarHBondContact O-CA 3.33Å
13F90.6Very high88.2Confident29 Ų2967.4 Ų67.413%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-141.4151177.562.2-81.4000110.2F5 T7 L15 I30 W34 V71F5-F13 HydrophobicContact CB-CD1 3.99Å; F5-F13 HydrophobicContact CB-CD2 3.99Å; F5-F13 HydrophobicContact CB-CE1 3.53Å; F5-F13 HydrophobicContact CB-CE2 3.53Å; F5-F13 HydrophobicContact CB-CG 4.22Å; F5-F13 HydrophobicContact CB-CZ 3.29Å; F5-F13 HydrophobicContact CD2-CD2 4.32Å; F5-F13 AromaticContact CD2-CE2 3.92Å; F5-F13 HydrophobicContact CD2-CE2 3.92Å; F5-F13 HydrophobicContact CD2-CZ 4.46Å; F5-F13 AromaticContact CG-CE2 3.87Å; F5-F13 HydrophobicContact CG-CE2 3.87Å; F5-F13 AromaticContact CG-CZ 3.94Å; F5-F13 HydrophobicContact CG-CZ 3.94Å; F5-F13 PolarHBondContact N-O 2.86Å; F5-F13 PolarHBondContact O-N 3.24Å; T7-F13 HydrophobicContact CG2-CD1 4.43Å; T7-F13 HydrophobicContact CG2-CE1 3.86Å; F13-L15 HydrophobicContact CD2-CD1 4.15Å; F13-L15 HydrophobicContact CD2-CG 3.95Å; F13-L15 HydrophobicContact CE2-CD1 3.74Å; F13-L15 HydrophobicContact CE2-CG 4.07Å; F13-I30 HydrophobicContact CE2-CG1 4.14Å; F13-I30 HydrophobicContact CE2-CG2 4.45Å; F13-I30 HydrophobicContact CZ-CG1 4.26Å; F13-I30 HydrophobicContact CZ-CG2 3.97Å; F13-W34 HydrophobicContact CB-CZ2 4.47Å; F13-W34 AromaticContact CD1-CE2 3.42Å; F13-W34 VanDerWaalsContact CD1-CE2 3.42Å; F13-W34 AromaticContact CD1-CZ2 3.41Å; F13-W34 HydrophobicContact CD1-CZ2 3.41Å; F13-W34 VanDerWaalsContact CD1-CZ2 3.41Å; F13-W34 AromaticContact CD1-NE1 3.1Å; F13-W34 AromaticContact CD2-NE1 3.54Å; F13-W34 AromaticContact CE1-CD1 3.86Å; F13-W34 HydrophobicContact CE1-CD2 4.37Å; F13-W34 AromaticContact CE1-CE2 3.5Å; F13-W34 VanDerWaalsContact CE1-CE2 3.5Å; F13-W34 AromaticContact CE1-CZ2 3.84Å; F13-W34 HydrophobicContact CE1-CZ2 3.84Å; F13-W34 AromaticContact CE1-NE1 3.11Å; F13-W34 AromaticContact CE2-CD1 3.88Å; F13-W34 AromaticContact CE2-NE1 3.56Å; F13-W34 HydrophobicContact CG-CZ2 4.13Å; F13-W34 AromaticContact CG-NE1 3.31Å; F13-W34 VanDerWaalsContact CG-NE1 3.31Å; F13-W34 AromaticContact CZ-CD1 3.68Å; F13-W34 AromaticContact CZ-NE1 3.34Å; F13-W34 VanDerWaalsContact CZ-NE1 3.34Å; F13-V71 HydrophobicContact CE1-CG2 4.44Å; F13-V71 HydrophobicContact CZ-CG2 4.2Å
14V90.9Very high88.1Confident79 Ų7968.9 Ų68.948%0.47936%0.359SS..EExtended strand (participates in β ladder)trans-114.8130.2-177.3-176.90000108.9K2 V3 T4K2-V14 HydrophobicContact CB-CG1 3.72Å; K2-V14 HydrophobicContact CD-CG1 4.34Å; K2-V14 HydrophobicContact CG-CG1 4.16Å; V3-V14 WeakPolarHBondContact O-CA 3.42Å; T4-V14 HydrophobicContact CG2-CG2 4.37Å
15L88.4Confident88Confident23 Ų2371.2 Ų71.212%0.1237%0.37CS..EExtended strand (participates in β ladder)trans-123.4146.7174.3-65.3176.4000109.7V3 F5 F13 F17 K29 I30 K33V3-L15 PolarHBondContact N-O 2.77Å; V3-L15 PolarHBondContact O-N 3.27Å; F5-L15 HydrophobicContact CD2-CB 4.29Å; F5-L15 HydrophobicContact CD2-CD1 4.31Å; F5-L15 HydrophobicContact CD2-CG 4.34Å; F5-L15 HydrophobicContact CE2-CB 3.95Å; F5-L15 HydrophobicContact CE2-CD1 4.27Å; F5-L15 HydrophobicContact CE2-CG 4.39Å; F13-L15 HydrophobicContact CD2-CD1 4.15Å; F13-L15 HydrophobicContact CD2-CG 3.95Å; F13-L15 HydrophobicContact CE2-CD1 3.74Å; F13-L15 HydrophobicContact CE2-CG 4.07Å; L15-F17 HydrophobicContact CB-CD2 3.96Å; L15-F17 HydrophobicContact CB-CE2 3.32Å; L15-F17 HydrophobicContact CB-CZ 3.93Å; L15-F17 HydrophobicContact CD1-CE2 3.79Å; L15-F17 HydrophobicContact CD1-CZ 3.78Å; L15-F17 HydrophobicContact CG-CE2 4.2Å; L15-K29 HydrophobicContact CD1-CG 4.42Å; L15-I30 HydrophobicContact CD1-CG1 3.83Å; L15-K33 HydrophobicContact CD2-CG 4.23Å
16D88.9Confident87.9Confident99 Ų9971.1 Ų71.153%0.52937%0.37SS..EExtended strand (participates in β ladder)trans-92.7125.4174.9-161.8-96.4000110.3M1M1-D16 VanDerWaalsContact C-OD2 3.24Å; M1-D16 PolarHBondContact N-OD1 2.96Å; M1-D16 PolarHBondContact N-OD2 3.37Å; M1-D16 WeakPolarHBondContact O-CA 3.31Å
17F86.8Confident87.8Confident11 Ų1169.8 Ų69.85%0.04836%0.364CS..  trans-133.7165.6176.8-66.4-74.9000110.6M1 V3 F5 L15 D21 V26 K29 L58M1-F17 WeakPolarHBondContact CA-O 3.17Å; M1-F17 WeakPolarHBondContact CB-O 3.45Å; M1-F17 PolarHBondContact N-O 3.39Å; M1-F17 PolarHBondContact O-N 3.44Å; M1-F17 VanDerWaalsContact O-O 3.1Å; V3-F17 HydrophobicContact CB-CD2 4.38Å; V3-F17 HydrophobicContact CG2-CD2 4.38Å; F5-F17 HydrophobicContact CE2-CD2 4.04Å; F5-F17 AromaticContact CE2-CE2 3.52Å; F5-F17 HydrophobicContact CE2-CE2 3.52Å; F5-F17 HydrophobicContact CZ-CD2 4.07Å; F5-F17 AromaticContact CZ-CE2 3.6Å; F5-F17 HydrophobicContact CZ-CE2 3.6Å; L15-F17 HydrophobicContact CB-CD2 3.96Å; L15-F17 HydrophobicContact CB-CE2 3.32Å; L15-F17 HydrophobicContact CB-CZ 3.93Å; L15-F17 HydrophobicContact CD1-CE2 3.79Å; L15-F17 HydrophobicContact CD1-CZ 3.78Å; L15-F17 HydrophobicContact CG-CE2 4.2Å; F17-D21 HydrophobicContact CB-CB 4.5Å; F17-V26 HydrophobicContact CD1-CG2 3.66Å; F17-V26 HydrophobicContact CD2-CG1 4.44Å; F17-V26 HydrophobicContact CD2-CG2 4.16Å; F17-V26 HydrophobicContact CE1-CB 4.11Å; F17-V26 HydrophobicContact CE1-CG1 4.37Å; F17-V26 HydrophobicContact CE1-CG2 3.71Å; F17-V26 HydrophobicContact CE2-CB 4.4Å; F17-V26 HydrophobicContact CE2-CG1 3.82Å; F17-V26 HydrophobicContact CE2-CG2 4.17Å; F17-V26 HydrophobicContact CG-CG2 3.89Å; F17-V26 HydrophobicContact CZ-CB 4.03Å; F17-V26 HydrophobicContact CZ-CG1 3.79Å; F17-V26 HydrophobicContact CZ-CG2 3.97Å; F17-K29 HydrophobicContact CE1-CB 3.67Å; F17-K29 HydrophobicContact CE1-CG 3.81Å; F17-K29 HydrophobicContact CZ-CB 3.66Å; F17-K29 HydrophobicContact CZ-CG 3.82Å; F17-L58 HydrophobicContact CB-CD2 4.06Å
18Q84.6Confident87.7Confident125 Ų12576.1 Ų76.158%0.58439%0.391SS*.  trans-92.4151.1170.3-62.5-63-79.100109.8D20 D21Q18-D20 PolarHBondContact O-N 2.94Å; Q18-D21 WeakPolarHBondContact O-CB 3.16Å; Q18-D21 PolarHBondContact O-N 2.88Å
19E83.7Confident87.7Confident106 Ų10675.3 Ų75.350%0.49538%0.382SS..THydrogen-bonded Turntrans-59.2-28.6177.8-68.1174.179.700112.3M1 D21 K59M1-E19 HydrophobicContact SD-CG 3.89Å; E19-D21 VanDerWaalsContact C-N 3.32Å; E19-K59 HydrophobicContact CB-CB 4.36Å; E19-K59 HydrophobicContact CB-CD 4.44Å; E19-K59 VanDerWaalsContact O-CB 3.29Å; E19-K59 WeakPolarHBondContact O-CB 3.49Å; E19-K59 PolarHBondContact O-N 3.47Å
20D85.3Confident87.9Confident130 Ų13068.7 Ų68.770%0.69535%0.35SS*.THydrogen-bonded Turntrans-83.6-6.8179.9-147.2-115.3000113.5Q18Q18-D20 PolarHBondContact O-N 2.94Å
21D87.1Confident88Confident40 Ų4065.4 Ų65.421%0.21433%0.334CS..  trans-67136-177.5-155.2-108.1000110.9F17 Q18 E19 D25 V26 S57 L58F17-D21 HydrophobicContact CB-CB 4.5Å; Q18-D21 WeakPolarHBondContact O-CB 3.16Å; Q18-D21 PolarHBondContact O-N 2.88Å; E19-D21 VanDerWaalsContact C-N 3.32Å; D21-D25 WeakPolarHBondContact OD1-CB 3.45Å; D21-V26 WeakPolarHBondContact OD1-CG2 3.23Å; D21-S57 VanDerWaalsContact O-CA 3.28Å; D21-S57 WeakPolarHBondContact O-CA 3.4Å; D21-S57 WeakPolarHBondContact O-CB 3.39Å; D21-L58 WeakPolarHBondContact O-CD1 3.35Å; D21-L58 PolarHBondContact O-N 3.26Å; D21-L58 VanDerWaalsContact O-N 3.11Å
22L89.4Confident87.8Confident91 Ų9164.3 Ų64.348%0.47634%0.344SS..BIsolated β-bridgetrans-75.6146.6178.7-71.9175.8000110.2G24 D25 V26L22-G24 PolarHBondContact O-N 2.9Å; L22-G24 VanDerWaalsContact O-N 3.09Å; L22-D25 PolarHBondContact O-N 3.37Å; L22-V26 PolarHBondContact O-N 3.17Å
23I89.9Confident87.4Confident1 Ų168 Ų681%0.00535%0.354CS..Hα-helixtrans-58-28.8176-65.8-67.1000111.7K27 L45 M52 E53 K56 L58 Y61I23-K27 HydrophobicContact CG2-CD 4.49Å; I23-K27 HydrophobicContact CG2-CG 4.43Å; I23-K27 WeakPolarHBondContact O-CB 3.3Å; I23-K27 VanDerWaalsContact O-CG 3.23Å; I23-K27 WeakPolarHBondContact O-CG 3.33Å; I23-K27 PolarHBondContact O-N 3.31Å; I23-L45 HydrophobicContact CG2-CD1 3.83Å; I23-M52 HydrophobicContact CD1-CB 4.04Å; I23-M52 HydrophobicContact CD1-CE 3.15Å; I23-M52 HydrophobicContact CD1-CG 4.44Å; I23-M52 HydrophobicContact CD1-SD 3.79Å; I23-M52 HydrophobicContact CG1-CB 4.12Å; I23-M52 HydrophobicContact CG1-CE 4.17Å; I23-M52 HydrophobicContact CG2-CB 4.01Å; I23-E53 WeakPolarHBondContact CB-O 3.27Å; I23-K56 WeakPolarHBondContact CG1-O 3.31Å; I23-K56 PolarHBondContact N-O 2.84Å; I23-L58 HydrophobicContact CD1-CD1 3.42Å; I23-L58 VanDerWaalsContact CD1-CD1 3.42Å; I23-L58 HydrophobicContact CD1-CG 4.15Å; I23-L58 HydrophobicContact CG1-CD1 4.27Å; I23-Y61 HydrophobicContact CD1-CD2 4.49Å; I23-Y61 HydrophobicContact CG1-CD2 4.38Å; I23-Y61 HydrophobicContact CG1-CE2 4.12Å
24G87.7Confident86.6Confident31 Ų3170.3 Ų70.332%0.3236%0.361SS..Hα-helixtrans-59.2-40.7171.400000114.6L22 K28 D54L22-G24 PolarHBondContact O-N 2.9Å; L22-G24 VanDerWaalsContact O-N 3.09Å; G24-K28 PolarHBondContact O-N 2.76Å; G24-D54 PolarHBondContact N-O 3.38Å
25D88.7Confident85.6Confident84 Ų8468.2 Ų68.245%0.44936%0.355SS..Hα-helixtrans-76.5-38.8-179.7-148.6-85.7000110.8D21 L22 K27 K28 K29D21-D25 WeakPolarHBondContact OD1-CB 3.45Å; L22-D25 PolarHBondContact O-N 3.37Å; D25-K27 VanDerWaalsContact C-N 3.34Å; D25-K27 PolarHBondContact O-N 3.29Å; D25-K28 WeakPolarHBondContact O-CB 3.04Å; D25-K28 PolarHBondContact O-N 3.22Å; D25-K28 VanDerWaalsContact O-N 3.12Å; D25-K29 PolarHBondContact O-N 2.89Å
26V88.6Confident84.6Confident1 Ų172.7 Ų72.71%0.00639%0.388CS..Hα-helixtrans-54.8-47.5169.9175.70000112.1F5 F17 D21 L22 K28 K29 I30 L45 L58F5-V26 HydrophobicContact CE1-CG1 3.72Å; F5-V26 HydrophobicContact CZ-CG1 3.53Å; F17-V26 HydrophobicContact CD1-CG2 3.66Å; F17-V26 HydrophobicContact CD2-CG1 4.44Å; F17-V26 HydrophobicContact CD2-CG2 4.16Å; F17-V26 HydrophobicContact CE1-CB 4.11Å; F17-V26 HydrophobicContact CE1-CG1 4.37Å; F17-V26 HydrophobicContact CE1-CG2 3.71Å; F17-V26 HydrophobicContact CE2-CB 4.4Å; F17-V26 HydrophobicContact CE2-CG1 3.82Å; F17-V26 HydrophobicContact CE2-CG2 4.17Å; F17-V26 HydrophobicContact CG-CG2 3.89Å; F17-V26 HydrophobicContact CZ-CB 4.03Å; F17-V26 HydrophobicContact CZ-CG1 3.79Å; F17-V26 HydrophobicContact CZ-CG2 3.97Å; D21-V26 WeakPolarHBondContact OD1-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.17Å; V26-K28 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 3.44Å; V26-K29 PolarHBondContact O-N 3.49Å; V26-I30 HydrophobicContact CG1-CD1 3.8Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 VanDerWaalsContact O-CG1 3.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.31Å; V26-I30 PolarHBondContact O-N 2.79Å; V26-L45 HydrophobicContact CG1-CD1 3.94Å; V26-L58 HydrophobicContact CB-CD1 4.36Å; V26-L58 HydrophobicContact CG2-CD1 3.34Å; V26-L58 HydrophobicContact CG2-CD2 4.23Å; V26-L58 HydrophobicContact CG2-CG 4.41Å
27K89.5Confident83.7Confident21 Ų2173.5 Ų73.59%0.09139%0.389CS..Hα-helixtrans-57.7-46.7175.6-76.2-175.2-180-164.10111.9I23 D25 K29 I30 E31 A40 Q43 L45I23-K27 HydrophobicContact CG2-CD 4.49Å; I23-K27 HydrophobicContact CG2-CG 4.43Å; I23-K27 WeakPolarHBondContact O-CB 3.3Å; I23-K27 VanDerWaalsContact O-CG 3.23Å; I23-K27 WeakPolarHBondContact O-CG 3.33Å; I23-K27 PolarHBondContact O-N 3.31Å; D25-K27 VanDerWaalsContact C-N 3.34Å; D25-K27 PolarHBondContact O-N 3.29Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 3.35Å; K27-I30 PolarHBondContact O-N 2.86Å; K27-E31 PolarHBondContact O-N 2.95Å; K27-A40 HydrophobicContact CB-CB 4.3Å; K27-A40 WeakPolarHBondContact CD-O 3.3Å; K27-Q43 VanDerWaalsContact C-NE2 3.32Å; K27-Q43 VanDerWaalsContact CB-CD 3.48Å; K27-Q43 HydrophobicContact CB-CG 4.06Å; K27-Q43 HydrophobicContact CD-CG 3.72Å; K27-Q43 WeakPolarHBondContact CE-O 3.13Å; K27-Q43 VanDerWaalsContact CG-CD 3.49Å; K27-Q43 HydrophobicContact CG-CG 3.69Å; K27-Q43 PolarHBondContact NZ-O 3.39Å; K27-Q43 PolarHBondContact O-NE2 2.88Å; K27-L45 HydrophobicContact CG-CD1 3.64Å; K27-L45 HydrophobicContact CG-CG 4.31Å
28K88Confident83.1Confident136 Ų13673.5 Ų73.559%0.59139%0.389SS*.Hα-helixtrans-63-36.5179.1-167.4175.9-176.9-179.20112.5G24 D25 V26 A32G24-K28 PolarHBondContact O-N 2.76Å; D25-K28 WeakPolarHBondContact O-CB 3.04Å; D25-K28 PolarHBondContact O-N 3.22Å; D25-K28 VanDerWaalsContact O-N 3.12Å; V26-K28 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 3.44Å; K28-A32 PolarHBondContact O-N 2.85Å
29K87.4Confident83Confident116 Ų11670.7 Ų70.750%0.50438%0.378SS..Hα-helixtrans-70-37.6176-159.779.5166.5-159.90112.3L15 F17 D25 V26 K27 A32 K33L15-K29 HydrophobicContact CD1-CG 4.42Å; F17-K29 HydrophobicContact CE1-CB 3.67Å; F17-K29 HydrophobicContact CE1-CG 3.81Å; F17-K29 HydrophobicContact CZ-CB 3.66Å; F17-K29 HydrophobicContact CZ-CG 3.82Å; D25-K29 PolarHBondContact O-N 2.89Å; V26-K29 PolarHBondContact O-N 3.49Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 3.35Å; K29-A32 PolarHBondContact O-N 3.25Å; K29-K33 PolarHBondContact O-N 3.42Å
30I87.2Confident82.7Confident0 Ų067.2 Ų67.20%037%0.367CS..Hα-helixtrans-65.3-45.5174.8-67.3165.7000110.1F5 F13 L15 V26 K27 A32 K33 W34 F38 L45 V71F5-I30 HydrophobicContact CD1-CD1 3.69Å; F5-I30 HydrophobicContact CE1-CD1 3.65Å; F5-I30 HydrophobicContact CG-CD1 4.28Å; F5-I30 HydrophobicContact CZ-CD1 4.22Å; F13-I30 HydrophobicContact CE2-CG1 4.14Å; F13-I30 HydrophobicContact CE2-CG2 4.45Å; F13-I30 HydrophobicContact CZ-CG1 4.26Å; F13-I30 HydrophobicContact CZ-CG2 3.97Å; L15-I30 HydrophobicContact CD1-CG1 3.83Å; V26-I30 HydrophobicContact CG1-CD1 3.8Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 VanDerWaalsContact O-CG1 3.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.31Å; V26-I30 PolarHBondContact O-N 2.79Å; K27-I30 PolarHBondContact O-N 2.86Å; I30-A32 VanDerWaalsContact C-N 3.31Å; I30-A32 PolarHBondContact O-N 3.08Å; I30-K33 PolarHBondContact O-N 2.89Å; I30-W34 PolarHBondContact O-N 2.86Å; I30-F38 HydrophobicContact CG2-CB 4.26Å; I30-L45 HydrophobicContact CD1-CD1 4.31Å; I30-L45 HydrophobicContact CD1-CD2 3.67Å; I30-V71 HydrophobicContact CD1-CG2 4.33Å; I30-V71 HydrophobicContact CG2-CG1 4.3Å
31E86.9Confident82.5Confident63 Ų6372.1 Ų72.129%0.29438%0.376SS..Hα-helixtrans-56.4-44.6174.5-176.8-172.9102.200111.3K27 K33 G35 F38 A40K27-E31 PolarHBondContact O-N 2.95Å; E31-K33 PolarHBondContact O-N 2.81Å; E31-G35 VanDerWaalsContact O-CA 3.22Å; E31-G35 WeakPolarHBondContact O-CA 3.44Å; E31-G35 PolarHBondContact O-N 2.78Å; E31-F38 WeakPolarHBondContact CB-O 3.14Å; E31-A40 WeakPolarHBondContact OE2-CB 3.4Å; E31-A40 PolarHBondContact OE2-N 3.45Å
32A85.3Confident82.3Confident86 Ų8672 Ų7271%0.71138%0.377SS*.Hα-helixtrans-64.4-22.8177.400000114K28 K29 I30K28-A32 PolarHBondContact O-N 2.85Å; K29-A32 PolarHBondContact O-N 3.25Å; I30-A32 VanDerWaalsContact C-N 3.31Å; I30-A32 PolarHBondContact O-N 3.08Å
33K79.8Confident82.2Confident157 Ų15767.8 Ų67.868%0.68336%0.355SS*.Hα-helixtrans-97.2-37.2-177.8-91-76.2-176.31720113.8L15 K29 I30 E31L15-K33 HydrophobicContact CD2-CG 4.23Å; K29-K33 PolarHBondContact O-N 3.42Å; I30-K33 PolarHBondContact O-N 2.89Å; E31-K33 PolarHBondContact O-N 2.81Å
34W75.2Confident82.2Confident77 Ų7772 Ų7229%0.29237%0.373SS..Hα-helixtrans-104.4-6.5-177.6-78.975.4000113.6T7 Q11 F13 I30 F38T7-W34 HydrophobicContact CG2-CD2 4.41Å; T7-W34 HydrophobicContact CG2-CE3 4.24Å; T7-W34 HydrophobicContact CG2-CH2 3.85Å; T7-W34 HydrophobicContact CG2-CZ2 3.98Å; T7-W34 HydrophobicContact CG2-CZ3 3.95Å; Q11-W34 HydrophobicContact CB-CH2 3.42Å; Q11-W34 VanDerWaalsContact CB-CH2 3.42Å; Q11-W34 HydrophobicContact CB-CZ2 4.09Å; Q11-W34 HydrophobicContact CB-CZ3 4.36Å; Q11-W34 HydrophobicContact CG-CH2 3.92Å; F13-W34 HydrophobicContact CB-CZ2 4.47Å; F13-W34 AromaticContact CD1-CE2 3.42Å; F13-W34 VanDerWaalsContact CD1-CE2 3.42Å; F13-W34 AromaticContact CD1-CZ2 3.41Å; F13-W34 HydrophobicContact CD1-CZ2 3.41Å; F13-W34 VanDerWaalsContact CD1-CZ2 3.41Å; F13-W34 AromaticContact CD1-NE1 3.1Å; F13-W34 AromaticContact CD2-NE1 3.54Å; F13-W34 AromaticContact CE1-CD1 3.86Å; F13-W34 HydrophobicContact CE1-CD2 4.37Å; F13-W34 AromaticContact CE1-CE2 3.5Å; F13-W34 VanDerWaalsContact CE1-CE2 3.5Å; F13-W34 AromaticContact CE1-CZ2 3.84Å; F13-W34 HydrophobicContact CE1-CZ2 3.84Å; F13-W34 AromaticContact CE1-NE1 3.11Å; F13-W34 AromaticContact CE2-CD1 3.88Å; F13-W34 AromaticContact CE2-NE1 3.56Å; F13-W34 HydrophobicContact CG-CZ2 4.13Å; F13-W34 AromaticContact CG-NE1 3.31Å; F13-W34 VanDerWaalsContact CG-NE1 3.31Å; F13-W34 AromaticContact CZ-CD1 3.68Å; F13-W34 AromaticContact CZ-NE1 3.34Å; F13-W34 VanDerWaalsContact CZ-NE1 3.34Å; I30-W34 PolarHBondContact O-N 2.86Å; W34-F38 HydrophobicContact CB-CD2 3.67Å; W34-F38 HydrophobicContact CB-CE2 4.19Å; W34-F38 HydrophobicContact CD2-CD2 4.45Å; W34-F38 HydrophobicContact CD2-CE2 4.12Å; W34-F38 HydrophobicContact CE3-CD2 4.37Å; W34-F38 AromaticContact CE3-CE2 3.73Å; W34-F38 HydrophobicContact CE3-CE2 3.73Å; W34-F38 HydrophobicContact CG-CD2 4.2Å; W34-F38 HydrophobicContact CG-CE2 4.34Å; W34-F38 HydrophobicContact CZ3-CE2 4.5Å
35G69.5Low82.3Confident34 Ų3470.5 Ų70.535%0.35136%0.358SS..G310 helixtrans76.3-164.3178.900000113.5E31 E37 F38E31-G35 VanDerWaalsContact O-CA 3.22Å; E31-G35 WeakPolarHBondContact O-CA 3.44Å; E31-G35 PolarHBondContact O-N 2.78Å; G35-E37 PolarHBondContact O-N 3.1Å; G35-F38 PolarHBondContact O-N 3.19Å
36S67Low82.5Confident117 Ų11768.2 Ų68.282%0.81835%0.345SS*.G310 helixtrans-59-7.7-174.3-52.30000115.2F38S36-F38 PolarHBondContact O-N 3.27Å
37E69Low82.6Confident116 Ų11668.7 Ų68.754%0.54235%0.347SS..G310 helixtrans-67.7-27.1176.6-142.816089.300112G35 S73G35-E37 PolarHBondContact O-N 3.1Å; E37-S73 WeakPolarHBondContact O-CB 3.12Å; E37-S73 PolarHBondContact O-OG 3.35Å
38F76.1Confident82.5Confident12 Ų1273 Ų735%0.05338%0.38CS..G310 helixtrans-126.465.1177.2-61.2-81.7000111.9T7 I30 E31 W34 G35 S36 A40 Q43 V71T7-F38 HydrophobicContact CG2-CE2 4.06Å; T7-F38 HydrophobicContact CG2-CZ 3.73Å; I30-F38 HydrophobicContact CG2-CB 4.26Å; E31-F38 WeakPolarHBondContact CB-O 3.14Å; W34-F38 HydrophobicContact CB-CD2 3.67Å; W34-F38 HydrophobicContact CB-CE2 4.19Å; W34-F38 HydrophobicContact CD2-CD2 4.45Å; W34-F38 HydrophobicContact CD2-CE2 4.12Å; W34-F38 HydrophobicContact CE3-CD2 4.37Å; W34-F38 AromaticContact CE3-CE2 3.73Å; W34-F38 HydrophobicContact CE3-CE2 3.73Å; W34-F38 HydrophobicContact CG-CD2 4.2Å; W34-F38 HydrophobicContact CG-CE2 4.34Å; W34-F38 HydrophobicContact CZ3-CE2 4.5Å; G35-F38 PolarHBondContact O-N 3.19Å; S36-F38 PolarHBondContact O-N 3.27Å; F38-A40 PolarHBondContact O-N 3.39Å; F38-Q43 HydrophobicContact CB-CB 4.26Å; F38-Q43 HydrophobicContact CD1-CB 4.49Å; F38-Q43 PolarHBondContact O-NE2 3.39Å; F38-V71 HydrophobicContact CD1-CB 4.41Å; F38-V71 HydrophobicContact CD1-CG1 3.5Å; F38-V71 HydrophobicContact CE1-CB 4.19Å; F38-V71 HydrophobicContact CE1-CG1 3.76Å; F38-V71 HydrophobicContact CG-CG1 4.2Å
39D81Confident82.4Confident65 Ų6570.1 Ų70.135%0.34839%0.389SS..  trans-55.8134.7171.4-176-79.7000110.8R41 T42 Q43D39-R41 PolarHBondContact O-N 3.07Å; D39-R41 VanDerWaalsContact OD1-CB 3.26Å; D39-R41 WeakPolarHBondContact OD1-CB 3.29Å; D39-R41 PolarHBondContact OD1-N 2.91Å; D39-T42 HydrophobicContact CB-CG2 4.48Å; D39-T42 PolarHBondContact O-N 3.18Å; D39-T42 PolarHBondContact O-OG1 3.5Å; D39-Q43 WeakPolarHBondContact O-CB 3.46Å; D39-Q43 WeakPolarHBondContact O-CG 3.44Å; D39-Q43 PolarHBondContact O-N 2.84Å
40A78.5Confident82.5Confident33 Ų3370.7 Ų70.727%0.27339%0.391SS..THydrogen-bonded Turntrans-50.7-29.3-178.700000113.8K27 E31 F38 Q43K27-A40 HydrophobicContact CB-CB 4.3Å; K27-A40 WeakPolarHBondContact CD-O 3.3Å; E31-A40 WeakPolarHBondContact OE2-CB 3.4Å; E31-A40 PolarHBondContact OE2-N 3.45Å; F38-A40 PolarHBondContact O-N 3.39Å; A40-Q43 VanDerWaalsContact CA-NE2 3.32Å
41R81Confident82.7Confident234 Ų23474.1 Ų74.188%0.88341%0.412SS*.THydrogen-bonded Turntrans-83.2-35.1177.9-60.9-176.6176-166.2-0.1113D39D39-R41 PolarHBondContact O-N 3.07Å; D39-R41 VanDerWaalsContact OD1-CB 3.26Å; D39-R41 WeakPolarHBondContact OD1-CB 3.29Å; D39-R41 PolarHBondContact OD1-N 2.91Å
42T83.1Confident82.7Confident38 Ų3871.3 Ų71.323%0.23340%0.399CS..THydrogen-bonded Turntrans-93-14.2-177.767.30000112.7D39 V74 S75D39-T42 HydrophobicContact CB-CG2 4.48Å; D39-T42 PolarHBondContact O-N 3.18Å; D39-T42 PolarHBondContact O-OG1 3.5Å; T42-V74 WeakPolarHBondContact O-CG2 3.49Å; T42-V74 PolarHBondContact O-N 3.43Å; T42-S75 PolarHBondContact OG1-OG 3Å
43Q87.5Confident82.9Confident1 Ų172.4 Ų72.41%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-79.7135.4177.374.4178.3-74.500112.2K27 F38 D39 A40 M72K27-Q43 VanDerWaalsContact C-NE2 3.32Å; K27-Q43 VanDerWaalsContact CB-CD 3.48Å; K27-Q43 HydrophobicContact CB-CG 4.06Å; K27-Q43 HydrophobicContact CD-CG 3.72Å; K27-Q43 WeakPolarHBondContact CE-O 3.13Å; K27-Q43 VanDerWaalsContact CG-CD 3.49Å; K27-Q43 HydrophobicContact CG-CG 3.69Å; K27-Q43 PolarHBondContact NZ-O 3.39Å; K27-Q43 PolarHBondContact O-NE2 2.88Å; F38-Q43 HydrophobicContact CB-CB 4.26Å; F38-Q43 HydrophobicContact CD1-CB 4.49Å; F38-Q43 PolarHBondContact O-NE2 3.39Å; D39-Q43 WeakPolarHBondContact O-CB 3.46Å; D39-Q43 WeakPolarHBondContact O-CG 3.44Å; D39-Q43 PolarHBondContact O-N 2.84Å; A40-Q43 VanDerWaalsContact CA-NE2 3.32Å; Q43-M72 CarbonylContact C-O 3.5Å; Q43-M72 VanDerWaalsContact CA-O 3.31Å; Q43-M72 WeakPolarHBondContact CA-O 3.34Å
44K88.6Confident83.3Confident90 Ų9069.2 Ų69.239%0.39138%0.38SS..EExtended strand (participates in β ladder)trans-114.6127.4170-68.3-175-176-68.60107.9I46 V51 M72 V74K44-I46 HydrophobicContact CB-CD1 4.21Å; K44-I46 WeakPolarHBondContact O-CD1 3.34Å; K44-V51 HydrophobicContact CB-CG1 4.07Å; K44-V51 HydrophobicContact CD-CG1 4.23Å; K44-V51 HydrophobicContact CG-CG1 4.22Å; K44-M72 PolarHBondContact N-O 2.79Å; K44-M72 PolarHBondContact O-N 3.34Å; K44-V74 HydrophobicContact CD-CG1 3.75Å; K44-V74 HydrophobicContact CG-CG1 4.27Å
45L91Very high83.9Confident0 Ų070.1 Ų70.10%040%0.398CS..EExtended strand (participates in β ladder)trans-97.1129.9172.2-68.7169.4000107.5F5 I23 V26 K27 I30 V51 M52 V69 V70 V71F5-L45 HydrophobicContact CD1-CD2 4.05Å; F5-L45 HydrophobicContact CE1-CD2 4.07Å; I23-L45 HydrophobicContact CG2-CD1 3.83Å; V26-L45 HydrophobicContact CG1-CD1 3.94Å; K27-L45 HydrophobicContact CG-CD1 3.64Å; K27-L45 HydrophobicContact CG-CG 4.31Å; I30-L45 HydrophobicContact CD1-CD1 4.31Å; I30-L45 HydrophobicContact CD1-CD2 3.67Å; L45-V51 CarbonylContact O-C 3.47Å; L45-V51 WeakPolarHBondContact O-CA 3.12Å; L45-M52 HydrophobicContact CB-CB 4.11Å; L45-M52 HydrophobicContact CB-CG 4.3Å; L45-M52 HydrophobicContact CB-SD 3.84Å; L45-M52 PolarHBondContact O-N 2.95Å; L45-V69 HydrophobicContact CB-CG1 3.81Å; L45-V69 HydrophobicContact CD2-CG1 3.84Å; L45-V69 HydrophobicContact CG-CG1 4.38Å; L45-V70 CarbonylContact C-O 3.54Å; L45-V70 WeakPolarHBondContact CA-O 3.31Å; L45-V71 HydrophobicContact CD2-CB 4.16Å; L45-V71 HydrophobicContact CD2-CG1 3.93Å; L45-V71 HydrophobicContact CD2-CG2 3.65Å
46I91.4Very high84.8Confident35 Ų3571.7 Ų71.718%0.17940%0.395CS..EExtended strand (participates in β ladder)trans-123.9115.2-176.9-54.197.8000108.8K44 K50 V51 V70 M72K44-I46 HydrophobicContact CB-CD1 4.21Å; K44-I46 WeakPolarHBondContact O-CD1 3.34Å; I46-K50 WeakPolarHBondContact CA-O 3.26Å; I46-V51 HydrophobicContact CG1-CG2 3.95Å; I46-V70 HydrophobicContact CB-CB 4.26Å; I46-V70 WeakPolarHBondContact CD1-O 3.32Å; I46-V70 PolarHBondContact N-O 2.82Å; I46-V70 PolarHBondContact O-N 3.38Å; I46-M72 HydrophobicContact CD1-CB 3.82Å
47H90.8Very high85.9Confident12 Ų1267.4 Ų67.46%0.05637%0.365CS..EExtended strand (participates in β ladder)trans-119.1130.1176.2-175.9-104.5000109.7G49 K50 M52 Y61 K62 F68 V69H47-G49 PolarHBondContact O-N 2.96Å; H47-G49 VanDerWaalsContact O-N 3.11Å; H47-K50 PolarHBondContact N-O 2.73Å; H47-K50 PolarHBondContact O-N 3.4Å; H47-M52 HydrophobicContact CB-CE 4.32Å; H47-M52 HydrophobicContact CB-CG 4.31Å; H47-M52 HydrophobicContact CB-SD 3.85Å; H47-Y61 PolarHBondContact CE1-O 2.83Å; H47-Y61 PolarHBondContact ND1-O 3.43Å; H47-K62 PolarHBondContact CE1-O 3.37Å; H47-F68 PolarHBondContact CD2-O 3.08Å; H47-V69 HydrophobicContact CB-CG2 4.25Å
48S87.9Confident86.8Confident111 Ų11162.1 Ų62.178%0.77634%0.34SS*.THydrogen-bonded Turntrans47.939.3-178.1-56.40000114K50S48-K50 VanDerWaalsContact C-N 3.29Å; S48-K50 PolarHBondContact O-N 3.34Å
49G86.9Confident87.2Confident75 Ų7567.7 Ų67.777%0.77337%0.365SS*.THydrogen-bonded Turntrans79.30.9-17900000115.5H47H47-G49 PolarHBondContact O-N 2.96Å; H47-G49 VanDerWaalsContact O-N 3.11Å
50K88.6Confident87.5Confident129 Ų12969.5 Ų69.556%0.56138%0.375SS*.EExtended strand (participates in β ladder)trans-107.2127.3179.1-159.9172-160.9-177.80111.5I46 H47 S48 M52 Y61I46-K50 WeakPolarHBondContact CA-O 3.26Å; H47-K50 PolarHBondContact N-O 2.73Å; H47-K50 PolarHBondContact O-N 3.4Å; S48-K50 VanDerWaalsContact C-N 3.29Å; S48-K50 PolarHBondContact O-N 3.34Å; K50-M52 PolarHBondContact O-N 3.3Å; K50-Y61 HydrophobicContact CD-CE1 4.21Å; K50-Y61 HydrophobicContact CG-CE1 4.43Å
51V91.2Very high87.9Confident72 Ų7269 Ų6944%0.43637%0.365SS..EExtended strand (participates in β ladder)trans-71127.1172.7-176.20000109.2K44 L45 I46K44-V51 HydrophobicContact CB-CG1 4.07Å; K44-V51 HydrophobicContact CD-CG1 4.23Å; K44-V51 HydrophobicContact CG-CG1 4.22Å; L45-V51 CarbonylContact O-C 3.47Å; L45-V51 WeakPolarHBondContact O-CA 3.12Å; I46-V51 HydrophobicContact CG1-CG2 3.95Å
52M88.4Confident88Confident4 Ų466 Ų662%0.0236%0.359CS..EExtended strand (participates in β ladder)trans-86.1123.7-177.6-52.2169.791.400110.5I23 L45 H47 K50 Y61 V63 V69I23-M52 HydrophobicContact CD1-CB 4.04Å; I23-M52 HydrophobicContact CD1-CE 3.15Å; I23-M52 HydrophobicContact CD1-CG 4.44Å; I23-M52 HydrophobicContact CD1-SD 3.79Å; I23-M52 HydrophobicContact CG1-CB 4.12Å; I23-M52 HydrophobicContact CG1-CE 4.17Å; I23-M52 HydrophobicContact CG2-CB 4.01Å; L45-M52 HydrophobicContact CB-CB 4.11Å; L45-M52 HydrophobicContact CB-CG 4.3Å; L45-M52 HydrophobicContact CB-SD 3.84Å; L45-M52 PolarHBondContact O-N 2.95Å; H47-M52 HydrophobicContact CB-CE 4.32Å; H47-M52 HydrophobicContact CB-CG 4.31Å; H47-M52 HydrophobicContact CB-SD 3.85Å; K50-M52 PolarHBondContact O-N 3.3Å; M52-Y61 VanDerWaalsContact CA-CZ 3.49Å; M52-Y61 WeakPolarHBondContact CA-OH 3.24Å; M52-Y61 HydrophobicContact CB-CD2 4.21Å; M52-Y61 HydrophobicContact CB-CE1 4.16Å; M52-Y61 HydrophobicContact CB-CE2 3.78Å; M52-Y61 VanDerWaalsContact CE-CB 3.49Å; M52-Y61 HydrophobicContact CE-CD1 4.38Å; M52-Y61 HydrophobicContact CE-CD2 3.4Å; M52-Y61 VanDerWaalsContact CE-CD2 3.4Å; M52-Y61 HydrophobicContact CE-CE2 4.2Å; M52-Y61 HydrophobicContact CE-CG 3.51Å; M52-Y61 HydrophobicContact CG-CD1 3.89Å; M52-Y61 HydrophobicContact CG-CD2 4.02Å; M52-Y61 HydrophobicContact CG-CE1 3.98Å; M52-Y61 HydrophobicContact CG-CE2 4.06Å; M52-Y61 HydrophobicContact CG-CG 3.93Å; M52-V63 HydrophobicContact CE-CG2 3.53Å; M52-V69 HydrophobicContact SD-CG1 3.78Å; M52-V69 HydrophobicContact SD-CG2 4.43Å
53E88.2Confident88Confident108 Ų10864.7 Ų64.751%0.50535%0.351SS..PPolyproline II helixtrans-80.5143.8173.4-62.2172.898.600111.1I23 S55 K56 Y61I23-E53 WeakPolarHBondContact CB-O 3.27Å; E53-S55 PolarHBondContact O-N 2.98Å; E53-K56 PolarHBondContact O-N 3.26Å; E53-K56 IonicContact OE2-NZ 2.81Å; E53-K56 PolarHBondContact OE2-NZ 2.97Å; E53-Y61 PolarHBondContact N-OH 2.95Å
54D87.9Confident87.7Confident91 Ų9168.2 Ų68.249%0.48737%0.372SS..THydrogen-bonded Turntrans-59.3-27.1-178.654.5-89.4000114G24 K56G24-D54 PolarHBondContact N-O 3.38Å; D54-K56 VanDerWaalsContact C-N 3.33Å; D54-K56 PolarHBondContact O-N 3.09Å
55S89.1Confident87.4Confident95 Ų9569 Ų6966%0.66438%0.378SS*.THydrogen-bonded Turntrans-82.6-5.3-173.8-58.60000114.3E53E53-S55 PolarHBondContact O-N 2.98Å
56K88.3Confident87Confident67 Ų6775.1 Ų75.129%0.29142%0.42SS..SBendtrans-107.3155.4178.7-79.1164.6177.2158.40110.3I23 E53 D54 D60 Y61I23-K56 WeakPolarHBondContact CG1-O 3.31Å; I23-K56 PolarHBondContact N-O 2.84Å; E53-K56 PolarHBondContact O-N 3.26Å; E53-K56 IonicContact OE2-NZ 2.81Å; E53-K56 PolarHBondContact OE2-NZ 2.97Å; D54-K56 VanDerWaalsContact C-N 3.33Å; D54-K56 PolarHBondContact O-N 3.09Å; K56-D60 HydrophobicContact CB-CB 4.42Å; K56-D60 WeakPolarHBondContact CD-OD1 3.4Å; K56-Y61 HydrophobicContact CB-CD2 4.34Å; K56-Y61 HydrophobicContact CB-CE2 3.47Å; K56-Y61 VanDerWaalsContact CB-CE2 3.47Å; K56-Y61 HydrophobicContact CD-CE2 3.96Å; K56-Y61 WeakPolarHBondContact CD-OH 3.46Å; K56-Y61 HydrophobicContact CG-CE2 4.37Å
57S90.5Very high86.7Confident27 Ų2774.2 Ų74.219%0.18942%0.419CS..BIsolated β-bridgetrans-90.9163.7175.460.20000112D21 K59 D60D21-S57 VanDerWaalsContact O-CA 3.28Å; D21-S57 WeakPolarHBondContact O-CA 3.4Å; D21-S57 WeakPolarHBondContact O-CB 3.39Å; S57-K59 PolarHBondContact O-N 3.42Å; S57-D60 PolarHBondContact O-N 3.31Å; S57-D60 VanDerWaalsContact O-N 3.14Å
58L86.4Confident86.6Confident5 Ų579.1 Ų79.13%0.02644%0.441CS..THydrogen-bonded Turntrans-58-32.5178-90.768.1000112.5V3 F17 D21 I23 V26 D60 Y61 V63V3-L58 HydrophobicContact CG2-CD2 3.75Å; F17-L58 HydrophobicContact CB-CD2 4.06Å; D21-L58 WeakPolarHBondContact O-CD1 3.35Å; D21-L58 PolarHBondContact O-N 3.26Å; D21-L58 VanDerWaalsContact O-N 3.11Å; I23-L58 HydrophobicContact CD1-CD1 3.42Å; I23-L58 VanDerWaalsContact CD1-CD1 3.42Å; I23-L58 HydrophobicContact CD1-CG 4.15Å; I23-L58 HydrophobicContact CG1-CD1 4.27Å; V26-L58 HydrophobicContact CB-CD1 4.36Å; V26-L58 HydrophobicContact CG2-CD1 3.34Å; V26-L58 HydrophobicContact CG2-CD2 4.23Å; V26-L58 HydrophobicContact CG2-CG 4.41Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 2.93Å; L58-Y61 PolarHBondContact O-N 2.85Å; L58-V63 HydrophobicContact CG-CG2 4.45Å; L58-V63 PolarHBondContact O-N 2.91Å
59K85Confident86.7Confident129 Ų12973.9 Ų73.956%0.56140%0.404SS*.THydrogen-bonded Turntrans-61.1-37.5177.1-166.9167.4-173.4166.90113.5E19 S57 Y61 K62E19-K59 HydrophobicContact CB-CB 4.36Å; E19-K59 HydrophobicContact CB-CD 4.44Å; E19-K59 VanDerWaalsContact O-CB 3.29Å; E19-K59 WeakPolarHBondContact O-CB 3.49Å; E19-K59 PolarHBondContact O-N 3.47Å; S57-K59 PolarHBondContact O-N 3.42Å; K59-Y61 VanDerWaalsContact C-N 3.29Å; K59-Y61 PolarHBondContact O-N 2.83Å; K59-K62 PolarHBondContact O-N 2.79Å
60D88.3Confident86.9Confident104 Ų10472.3 Ų72.356%0.55638%0.379SS*.THydrogen-bonded Turntrans-65.2-34.8-179-164.7-113.9000111.8K56 S57 L58 K62K56-D60 HydrophobicContact CB-CB 4.42Å; K56-D60 WeakPolarHBondContact CD-OD1 3.4Å; S57-D60 PolarHBondContact O-N 3.31Å; S57-D60 VanDerWaalsContact O-N 3.14Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 2.93Å; D60-K62 VanDerWaalsContact C-N 3.3Å; D60-K62 PolarHBondContact O-N 3.45Å
61Y85.9Confident86.9Confident21 Ų2166.1 Ų66.18%0.08235%0.353CS..THydrogen-bonded Turntrans-85.22.8179.1-68.4-79.3000114.4I23 H47 K50 M52 E53 K56 L58 K59 V63I23-Y61 HydrophobicContact CD1-CD2 4.49Å; I23-Y61 HydrophobicContact CG1-CD2 4.38Å; I23-Y61 HydrophobicContact CG1-CE2 4.12Å; H47-Y61 PolarHBondContact CE1-O 2.83Å; H47-Y61 PolarHBondContact ND1-O 3.43Å; K50-Y61 HydrophobicContact CD-CE1 4.21Å; K50-Y61 HydrophobicContact CG-CE1 4.43Å; M52-Y61 VanDerWaalsContact CA-CZ 3.49Å; M52-Y61 WeakPolarHBondContact CA-OH 3.24Å; M52-Y61 HydrophobicContact CB-CD2 4.21Å; M52-Y61 HydrophobicContact CB-CE1 4.16Å; M52-Y61 HydrophobicContact CB-CE2 3.78Å; M52-Y61 VanDerWaalsContact CE-CB 3.49Å; M52-Y61 HydrophobicContact CE-CD1 4.38Å; M52-Y61 HydrophobicContact CE-CD2 3.4Å; M52-Y61 VanDerWaalsContact CE-CD2 3.4Å; M52-Y61 HydrophobicContact CE-CE2 4.2Å; M52-Y61 HydrophobicContact CE-CG 3.51Å; M52-Y61 HydrophobicContact CG-CD1 3.89Å; M52-Y61 HydrophobicContact CG-CD2 4.02Å; M52-Y61 HydrophobicContact CG-CE1 3.98Å; M52-Y61 HydrophobicContact CG-CE2 4.06Å; M52-Y61 HydrophobicContact CG-CG 3.93Å; E53-Y61 PolarHBondContact N-OH 2.95Å; K56-Y61 HydrophobicContact CB-CD2 4.34Å; K56-Y61 HydrophobicContact CB-CE2 3.47Å; K56-Y61 VanDerWaalsContact CB-CE2 3.47Å; K56-Y61 HydrophobicContact CD-CE2 3.96Å; K56-Y61 WeakPolarHBondContact CD-OH 3.46Å; K56-Y61 HydrophobicContact CG-CE2 4.37Å; L58-Y61 PolarHBondContact O-N 2.85Å; K59-Y61 VanDerWaalsContact C-N 3.29Å; K59-Y61 PolarHBondContact O-N 2.83Å; Y61-V63 PolarHBondContact O-N 3.41Å
62K83.6Confident86.7Confident173 Ų17366.2 Ų66.275%0.75235%0.349SS*.THydrogen-bonded Turntrans51.541.5-176.3-66.5-179.6158.3-170.50112.9H47 K59 D60 T64H47-K62 PolarHBondContact CE1-O 3.37Å; K59-K62 PolarHBondContact O-N 2.79Å; D60-K62 VanDerWaalsContact C-N 3.3Å; D60-K62 PolarHBondContact O-N 3.45Å; K62-T64 PolarHBondContact O-N 3.13Å
63V83.3Confident86.5Confident10 Ų1067.7 Ų67.76%0.06136%0.36CS..  trans-64.5121.5173.7-176.90000108.2M1 V3 M52 L58 Y61 V69M1-V63 VanDerWaalsContact CE-O 3.24Å; M1-V63 WeakPolarHBondContact CE-O 3.41Å; V3-V63 HydrophobicContact CB-CG1 4.49Å; V3-V63 HydrophobicContact CG1-CG1 3.65Å; V3-V63 HydrophobicContact CG2-CG1 4.1Å; M52-V63 HydrophobicContact CE-CG2 3.53Å; L58-V63 HydrophobicContact CG-CG2 4.45Å; L58-V63 PolarHBondContact O-N 2.91Å; Y61-V63 PolarHBondContact O-N 3.41Å; V63-V69 HydrophobicContact CG1-CG2 4.02Å; V63-V69 HydrophobicContact CG2-CG2 4.28Å
64T80.3Confident85.8Confident74 Ų7466 Ų6645%0.45436%0.357SS..  trans-106.9157.5177.257.50000110.4K62 S66 G67K62-T64 PolarHBondContact O-N 3.13Å; T64-S66 PolarHBondContact O-N 3.37Å; T64-G67 PolarHBondContact O-N 3.22Å; T64-G67 PolarHBondContact OG1-N 3.49Å
65E82.9Confident84.6Confident108 Ų10864.8 Ų64.851%0.50536%0.355SS..THydrogen-bonded Turntrans-65.8-26.3179.3179165.9172.700112.1M1 K2 G67M1-E65 HydrophobicContact CE-CB 4.36Å; K2-E65 HydrophobicContact CB-CG 4.08Å; K2-E65 WeakPolarHBondContact O-CA 3.37Å; E65-G67 VanDerWaalsContact C-N 3.32Å
66S82Confident82.5Confident127 Ų12768.9 Ų68.989%0.88836%0.361SS*.THydrogen-bonded Turntrans-81.8-8.9172.4-51.60000113.9T64T64-S66 PolarHBondContact O-N 3.37Å
67G84.8Confident80.3Confident16 Ų1672 Ų7217%0.16539%0.388CS..  trans-86175.417900000112.6T4 T64 E65T4-G67 WeakPolarHBondContact CB-O 3.08Å; T64-G67 PolarHBondContact O-N 3.22Å; T64-G67 PolarHBondContact OG1-N 3.49Å; E65-G67 VanDerWaalsContact C-N 3.32Å
68F88.9Confident77.8Confident115 Ų11575.9 Ų75.950%0.50442%0.415SS..EExtended strand (participates in β ladder)trans-134.7146.3169.362.7-90.3000110.9T4 K6 H47 V70T4-F68 HydrophobicContact CG2-CB 4.26Å; T4-F68 CarbonylContact O-C 3.52Å; T4-F68 WeakPolarHBondContact O-CA 3.33Å; K6-F68 HydrophobicContact CB-CD2 4.43Å; K6-F68 HydrophobicContact CD-CD2 4.5Å; H47-F68 PolarHBondContact CD2-O 3.08Å; F68-V70 HydrophobicContact CD2-CG2 3.87Å; F68-V70 HydrophobicContact CE2-CG2 3.74Å
69V90.5Very high75.4Confident2 Ų285.1 Ų85.11%0.01246%0.455CS..EExtended strand (participates in β ladder)trans-108.1121.2174-178.40000108V3 T4 F5 K6 L45 H47 M52 V63V3-V69 HydrophobicContact CG1-CG2 3.89Å; T4-V69 PolarHBondContact O-N 2.59Å; F5-V69 CarbonylContact C-O 3.16Å; F5-V69 VanDerWaalsContact CA-O 3.26Å; F5-V69 WeakPolarHBondContact CA-O 3.16Å; F5-V69 HydrophobicContact CD1-CB 3.79Å; F5-V69 HydrophobicContact CD1-CG1 4.12Å; F5-V69 HydrophobicContact CE1-CB 3.91Å; F5-V69 HydrophobicContact CE1-CG1 4.11Å; F5-V69 HydrophobicContact CE1-CG2 4.31Å; K6-V69 PolarHBondContact N-O 2.72Å; L45-V69 HydrophobicContact CB-CG1 3.81Å; L45-V69 HydrophobicContact CD2-CG1 3.84Å; L45-V69 HydrophobicContact CG-CG1 4.38Å; H47-V69 HydrophobicContact CB-CG2 4.25Å; M52-V69 HydrophobicContact SD-CG1 3.78Å; M52-V69 HydrophobicContact SD-CG2 4.43Å; V63-V69 HydrophobicContact CG1-CG2 4.02Å; V63-V69 HydrophobicContact CG2-CG2 4.28Å
70V90.5Very high73.2Confident41 Ų4186.1 Ų86.125%0.24847%0.467CS..EExtended strand (participates in β ladder)trans-78.7126.6176.9-178.60000109.1K6 L45 I46 F68K6-V70 CarbonylContact O-C 3.52Å; K6-V70 WeakPolarHBondContact O-CA 3.19Å; L45-V70 CarbonylContact C-O 3.54Å; L45-V70 WeakPolarHBondContact CA-O 3.31Å; I46-V70 HydrophobicContact CB-CB 4.26Å; I46-V70 WeakPolarHBondContact CD1-O 3.32Å; I46-V70 PolarHBondContact N-O 2.82Å; I46-V70 PolarHBondContact O-N 3.38Å; F68-V70 HydrophobicContact CD2-CG2 3.87Å; F68-V70 HydrophobicContact CE2-CG2 3.74Å
71V89.8Confident70.7Confident0 Ų085.9 Ų85.90%047%0.469CS..EExtended strand (participates in β ladder)trans-101.2121.6176.2-163.40000108.6F5 K6 F13 I30 F38 L45F5-V71 HydrophobicContact CB-CG2 3.85Å; F5-V71 HydrophobicContact CD1-CG2 3.81Å; F5-V71 HydrophobicContact CG-CG2 4.25Å; K6-V71 PolarHBondContact O-N 3.31Å; F13-V71 HydrophobicContact CE1-CG2 4.44Å; F13-V71 HydrophobicContact CZ-CG2 4.2Å; I30-V71 HydrophobicContact CD1-CG2 4.33Å; I30-V71 HydrophobicContact CG2-CG1 4.3Å; F38-V71 HydrophobicContact CD1-CB 4.41Å; F38-V71 HydrophobicContact CD1-CG1 3.5Å; F38-V71 HydrophobicContact CE1-CB 4.19Å; F38-V71 HydrophobicContact CE1-CG1 3.76Å; F38-V71 HydrophobicContact CG-CG1 4.2Å; L45-V71 HydrophobicContact CD2-CB 4.16Å; L45-V71 HydrophobicContact CD2-CG1 3.93Å; L45-V71 HydrophobicContact CD2-CG2 3.65Å
72M86.6Confident68.2Low74 Ų7490.4 Ų90.437%0.36550%0.499SS..EExtended strand (participates in β ladder)trans-122.4132.8177.6-168.6-177.5-166.800109.8L8 Q43 K44 I46L8-M72 HydrophobicContact CD2-CE 4.44Å; Q43-M72 CarbonylContact C-O 3.5Å; Q43-M72 VanDerWaalsContact CA-O 3.31Å; Q43-M72 WeakPolarHBondContact CA-O 3.34Å; K44-M72 PolarHBondContact N-O 2.79Å; K44-M72 PolarHBondContact O-N 3.34Å; I46-M72 HydrophobicContact CD1-CB 3.82Å
73S83Confident66.1Low34 Ų3491.5 Ų91.524%0.23850%0.504CS..EExtended strand (participates in β ladder)trans-94.8123.2169.9-168.30000108.7E37 S75E37-S73 WeakPolarHBondContact O-CB 3.12Å; E37-S73 PolarHBondContact O-OG 3.35Å; S73-S75 PolarHBondContact O-N 3.23Å; S73-S75 PolarHBondContact OG-OG 3.3Å
74V74.6Confident64Low73 Ų7399.4 Ų99.444%0.44254%0.54SS..  trans-90.623.5175.7-65.30000113.2T42 K44 K76T42-V74 WeakPolarHBondContact O-CG2 3.49Å; T42-V74 PolarHBondContact O-N 3.43Å; K44-V74 HydrophobicContact CD-CG1 3.75Å; K44-V74 HydrophobicContact CG-CG1 4.27Å; V74-K76 PolarHBondContact O-N 3.03Å
75S63.2Low62.2Low65 Ų65100 Ų10046%0.45555%0.552SS.*  trans-67.1114.4170.1-57.10000109.1T42 S73T42-S75 PolarHBondContact OG1-OG 3Å; S73-S75 PolarHBondContact O-N 3.23Å; S73-S75 PolarHBondContact OG-OG 3.3Å
76K44.3Very low60.4Low182 Ų182100.6 Ų100.679%0.79157%0.569SS**  trans-52.2133.7172-68.8172.7178.3176.10109.3V74 S78V74-K76 PolarHBondContact O-N 3.03Å; K76-S78 PolarHBondContact O-N 3.45Å; K76-S78 VanDerWaalsContact O-N 3.14Å
77P40.8Very low58.5Low132 Ų13299.3 Ų99.386%0.85757%0.565SS**  trans-70.8109.7163.329.4-29.6000107.1
78S39.3Very low56.3Low108 Ų108104 Ų10476%0.75560%0.596SS**  trans-129.1100.9166.3-68.40000108.3K76K76-S78 PolarHBondContact O-N 3.45Å; K76-S78 VanDerWaalsContact O-N 3.14Å
79K36.1Very low54.2Low200 Ų200105.3 Ų105.387%0.8761%0.613SS**  trans-61.1120.1163.6-173.5179.4-172.7176.60108.9
80D39.3Very low52.3Low150 Ų150113.6 Ų113.680%0.80265%0.652SS**  trans-166.696.8156.6-135.9-99000105.1
81T35.2Very low50.1Low99 Ų99116.2 Ų116.261%0.60767%0.671SS**  60.810678.5-52.70000112.6
82T33.6Very low47.8Very low116 Ų116123.7 Ų123.771%0.71271%0.712SS**  trans76.7101.1149.9-47.70000119.9
83K38.7Very low45.8Very low195 Ų195125 Ų12585%0.84873%0.726SS**  trans-175.3102.6130.7-112.8173176.7176.30107.6
84E39.8Very low43.8Very low177 Ų177130.6 Ų130.683%0.82776%0.759SS**  53.3121.372.7-155.3175.3100.400113.1
85A42.4Very low42.3Very low86 Ų86130.2 Ų130.271%0.71177%0.769SS**  trans90.7112158.200000119.9
86S44.5Very low41.4Very low121 Ų121135.9 Ų135.985%0.84679%0.788SS**  trans85.184.3136.9-69.50000119.1
87A41.7Very low41.3Very low99 Ų99133.1 Ų133.182%0.81879%0.787SS**  trans-73.8113.7139.600000109.4
88S40.5Very low41.5Very low115 Ų115136.3 Ų136.380%0.80479%0.788SS**  trans173.693.1148-83.80000111.3
89V44.8Very low41.9Very low143 Ų143135.9 Ų135.987%0.86778%0.782SS**  trans-169.1102.2144-132.90000106.3
90Q49.3Very low42.3Very low176 Ų176132 Ų13282%0.82278%0.775SS**  43.8103.677.6-123.7-177.8-11.100115.8
91S45Very low42.5Very low95 Ų95130.3 Ų130.366%0.66477%0.771SS**  trans49112.6139.850.50000119.8
92N40.2Very low43Very low158 Ų158132.1 Ų132.185%0.84578%0.777SS**  163.715586.2-126.224.7000110.7
93P46.7Very low43.7Very low102 Ų102134.8 Ų134.866%0.66278%0.778SS**  trans-96.3159.8-176.137.4-30.7000112.6
94T40.9Very low44.1Very low151 Ų151134.6 Ų134.693%0.92678%0.777SS**  trans157.9137.8147.6-73.30000112.4
95G41.6Very low44Very low64 Ų64131.1 Ų131.166%0.6677%0.773SS**  trans10894.3155.300000115
96E45.2Very low44.3Very low184 Ų184132.4 Ų132.486%0.8677%0.774SS**  63.1103.978.8-149.9179.5106.100111.4
97T41.9Very low44.3Very low125 Ų125132.6 Ų132.677%0.76777%0.77SS**  177.3115.893.623.90000112
98K45.9Very low44.4Very low199 Ų199134.4 Ų134.487%0.86577%0.771SS**  18.7168.9124.8-121.4-161.8177.4177.40122.1
99P47.8Very low44.7Very low98 Ų98137.1 Ų137.164%0.63677%0.771SS**  -134-152.4-81.845.5-26.2000113.6
100T42.8Very low44.7Very low119 Ų119134.4 Ų134.473%0.7376%0.763SS**  trans98.6128.7164.1-24.50000113.4
101T44.5Very low44.6Very low115 Ų115132.4 Ų132.471%0.70676%0.758SS**  178.114063-630000112.1
102D46.2Very low44.7Very low137 Ų137135.7 Ų135.773%0.73376%0.763SS**  trans37.3147.9149.1-70.7-120.7000122.8
103K46.8Very low45.2Very low172 Ų172132.5 Ų132.575%0.74876%0.759SS**  cis-176.7139.746.7-149.2171.5-179.7170.30113.6
104K47.5Very low45.5Very low190 Ų190133.2 Ų133.283%0.82676%0.764SS**  trans60118.9142.2-91.4-176.2171.9-176.70125.6
105S38.1Very low45.7Very low105 Ų105131.5 Ų131.573%0.73476%0.758SS**  trans-69-170.2138.9-40.20000112.1
106P47.7Very low46Very low113 Ų113133.7 Ų133.773%0.73476%0.763SS**  cis-147.2175.67.133.8-7.8000118.8
107V44.9Very low46.5Very low125 Ų125134.6 Ų134.676%0.75876%0.764SS**  trans53.9131.7140.4179.20000123.2
108T45Very low46.8Very low136 Ų136133.4 Ų133.483%0.83476%0.758SS**  trans179.6113.2139.6-640000106.3
109E45.2Very low46.7Very low172 Ų172131.2 Ų131.280%0.80476%0.756SS**  80.1118.550.3-159.8157.5111.400116.3
110A45.9Very low46.5Very low87 Ų87130.5 Ų130.572%0.71976%0.758SS**  trans67.6122.3157.200000121.5
111N46.3Very low46.4Very low134 Ų134132 Ų13272%0.71776%0.762SS**  -172130.999.4-136.931.8000116.6
112E48Very low46.3Very low163 Ų163130.6 Ų130.676%0.76276%0.757SS**  trans45.8108.3142.2-71.1176.890.100126
113A49.6Very low46.3Very low92 Ų92132.9 Ų132.976%0.7676%0.763SS**  -6180127.300000122.7
114P52.8Low46Very low117 Ų117129.4 Ų129.476%0.7676%0.76SS**  cis-141.7-166.3-44.238.8-19.4000114.5
115S47.1Very low45.9Very low114 Ų114127.8 Ų127.880%0.79776%0.761SS**  trans86.3139.8165.7-70.30000117
116S47.4Very low46.1Very low110 Ų110130.6 Ų130.677%0.76977%0.767SS**  cis-175.1125.67.6320000109.9
117K55.6Low46Very low203 Ų203130.1 Ų130.188%0.88376%0.763SS**  trans29.7165.9131.6-111.2-178.2-171.4170.20123.2
118P48.3Very low45.8Very low100 Ų100130.6 Ų130.665%0.64977%0.767SS**  -122.4-151.9-95.243.2-23.4000113.4
119D43Very low45.6Very low154 Ų154130.5 Ų130.582%0.82477%0.766SS**  trans87.2145.8177.1-67.6-78.3000116
120A42.8Very low45.4Very low82 Ų82128 Ų12868%0.67876%0.762SS**  cis-175.7158.3-16.900000106.5
121N42.7Very low45.2Very low150 Ų150129.9 Ų129.980%0.80277%0.765SS**  trans95.3137.1141.9-150.617.5000122.6
122S42.1Very low45.1Very low86 Ų86127.9 Ų127.960%0.60177%0.768SS**  trans71.3111.5153.1-62.80000118.9
123Q45.8Very low44.9Very low186 Ų186126 Ų12687%0.86977%0.769SS**  78.9117.855.4-156.7178.916.500114.1
124S39.7Very low44.6Very low98 Ų98127.5 Ų127.569%0.68577%0.774SS**  trans70.2123.2156.8-165.80000119.3
125N45.8Very low43.8Very low157 Ų157127.7 Ų127.784%0.8478%0.778SS**  -178.9126.7116.3-78.9-18.7000111.7
126L42.2Very low43.7Very low164 Ų164126.1 Ų126.186%0.85977%0.772SS**  trans-100.6-176.2159.2-133.586.2000107.1
127P45.9Very low43.1Very low102 Ų102127.6 Ų127.666%0.66278%0.777SS**  -115.6173.2-57.233.8-18.2000111.1
128T39.9Very low42.6Very low135 Ų135123 Ų12383%0.82877%0.77SS**  trans-159.1128.7155-70.40000111.1
129V41.6Very low42.2Very low135 Ų135124.4 Ų124.482%0.81878%0.777SS**  trans-79.5134170.6175.10000109.2
130T42.1Very low42Very low119 Ų119124.5 Ų124.573%0.7378%0.777SS**  trans-166109.4159.8-76.10000111.3
131T41Very low41.9Very low126 Ų126123.8 Ų123.877%0.77378%0.778SS**  trans17.8130.2139.947.20000121.6
132A43Very low42Very low93 Ų93124.5 Ų124.577%0.76977%0.774SS**  175.8147.6109.500000112
133P44Very low42Very low123 Ų123123.1 Ų123.180%0.79977%0.774SS**  trans-85.9149.6-173.635.7-32.3000111.5
134S43.1Very low41.8Very low123 Ų123123.4 Ų123.486%0.8678%0.775SS**  trans-132.4106.8166.8-75.90000109.8A136S134-A136 PolarHBondContact O-N 3.22Å
135S37.7Very low42.3Very low122 Ų122123.5 Ų123.585%0.85378%0.776SS**  trans-56.9113.3162.7-57.40000109.3
136A44.7Very low43.2Very low81 Ų81120 Ų12067%0.66976%0.763SS**  trans-122.892.815800000107.1S134 S138S134-A136 PolarHBondContact O-N 3.22Å; A136-S138 PolarHBondContact O-N 2.65Å; A136-S138 PolarHBondContact O-OG 3.22Å
137T33.4Very low44.2Very low140 Ų140116.2 Ų116.286%0.85974%0.743SS**  trans-39.697.5160.1-12.90000109
138S46.2Very low45.5Very low107 Ų107111.9 Ų111.975%0.74872%0.715SS**  trans-113.789.9171.8-590000106.4A136 L140A136-S138 PolarHBondContact O-N 2.65Å; A136-S138 PolarHBondContact O-OG 3.22Å; S138-L140 PolarHBondContact O-N 3.3Å
139T39.2Very low47.3Very low130 Ų130109.6 Ų109.680%0.79870%0.701SS**  trans-27.4125.7162.5-640000111.8G141T139-G141 PolarHBondContact O-N 3.37Å
140L40.1Very low49.1Very low156 Ų156105.7 Ų105.782%0.81769%0.688SS**  trans-38.7105.6168.6-63.5161.8000110.4S138S138-L140 PolarHBondContact O-N 3.3Å
141G39.8Very low51Low67 Ų67108.3 Ų108.369%0.69169%0.692SS**  trans-138.248.7178.600000109.3T139 G143T139-G141 PolarHBondContact O-N 3.37Å; G141-G143 PolarHBondContact O-N 2.83Å
142F45.8Very low52.9Low164 Ų164107.2 Ų107.272%0.71968%0.682SS**  trans-79.380.5168.3-67.1-74.3000107.7
143G41.2Very low55Low58 Ų58104.9 Ų104.960%0.59865%0.654SS**  trans-61136.1169.200000110.6G141 S145G141-G143 PolarHBondContact O-N 2.83Å; G143-S145 PolarHBondContact O-N 2.61Å
144E41.2Very low57Low191 Ų191104.8 Ų104.889%0.89364%0.643SS**THydrogen-bonded Turntrans-7.3112.2174.3-89.9167.260.600116.5S146E144-S146 PolarHBondContact O-N 3.12Å
145S51.4Low59.2Low101 Ų101108 Ų10871%0.70664%0.636SS**THydrogen-bonded Turntrans69.825157.1-47.70000118.6G143 L147G143-S145 PolarHBondContact O-N 2.61Å; S145-L147 PolarHBondContact O-N 3.23Å
146S62.9Low61.5Low82 Ų82103.1 Ų103.157%0.57360%0.601SS**  trans-71.595.6174.6-175.50000111.6E144 V148E144-S146 PolarHBondContact O-N 3.12Å; S146-V148 WeakPolarHBondContact O-CG2 3.38Å; S146-V148 PolarHBondContact O-N 3.44Å
147L65Low63.6Low85 Ų8599.5 Ų99.545%0.44557%0.571SS.*  trans-46.2109.2170.4-163.482.3000110.6S145 T149 F178 N179S145-L147 PolarHBondContact O-N 3.23Å; L147-T149 HydrophobicContact CD2-CG2 4.21Å; L147-T149 HydrophobicContact CG-CG2 4.35Å; L147-T149 PolarHBondContact O-N 3.14Å; L147-F178 HydrophobicContact CD1-CD1 3.65Å; L147-F178 HydrophobicContact CD1-CE1 4.02Å; L147-F178 WeakPolarHBondContact CD1-O 3.2Å; L147-N179 HydrophobicContact CD1-CB 4.02Å; L147-N179 HydrophobicContact CG-CB 4.22Å
148V73.1Confident66.2Low12 Ų1299.9 Ų99.97%0.07356%0.56CS.*  trans-86.8114.2-175.2172.70000109.4S146 N152 F153 V156 N179 P181S146-V148 WeakPolarHBondContact O-CG2 3.38Å; S146-V148 PolarHBondContact O-N 3.44Å; V148-N152 HydrophobicContact CG1-CB 3.53Å; V148-N152 WeakPolarHBondContact CG1-O 3.5Å; V148-F153 HydrophobicContact CG1-CB 4.35Å; V148-F153 VanDerWaalsContact CG1-N 3.35Å; V148-V156 HydrophobicContact CG1-CG2 4.1Å; V148-N179 PolarHBondContact N-O 3.49Å; V148-N179 WeakPolarHBondContact O-CB 3.21Å; V148-P181 HydrophobicContact CG2-CG 4.15Å
149T76.9Confident68.2Low87 Ų87100.5 Ų100.553%0.53455%0.551SS.*  trans-127.2160.4178.857.70000111.8L147L147-T149 HydrophobicContact CD2-CG2 4.21Å; L147-T149 HydrophobicContact CG-CG2 4.35Å; L147-T149 PolarHBondContact O-N 3.14Å
150G79.5Confident70.5Confident53 Ų5395 Ų9555%0.54652%0.517SS..THydrogen-bonded Turntrans69.4-141.2176.500000114.3N152 F153 E154G150-N152 PolarHBondContact O-N 3.44Å; G150-N152 VanDerWaalsContact O-N 3.11Å; G150-F153 WeakPolarHBondContact O-CA 3.33Å; G150-F153 VanDerWaalsContact O-CB 3.24Å; G150-F153 WeakPolarHBondContact O-CB 3.46Å; G150-F153 PolarHBondContact O-N 3.2Å; G150-E154 PolarHBondContact O-N 3.35Å
151E82.6Confident72.8Confident174 Ų17490.5 Ų90.581%0.81349%0.493SS*.Hα-helixtrans-55.2-29.2179.4-79.9166.97300113.4F153 E154 R155E151-F153 VanDerWaalsContact C-N 3.33Å; E151-E154 PolarHBondContact O-N 3.45Å; E151-R155 WeakPolarHBondContact O-CB 3.29Å; E151-R155 PolarHBondContact O-N 3.44Å
152N81Confident75.1Confident103 Ų10392 Ų9255%0.55149%0.493SS*.Hα-helixtrans-68.4-32.8175.4-71.1-47.1000111.9V148 G150 R155 V156V148-N152 HydrophobicContact CG1-CB 3.53Å; V148-N152 WeakPolarHBondContact CG1-O 3.5Å; G150-N152 PolarHBondContact O-N 3.44Å; G150-N152 VanDerWaalsContact O-N 3.11Å; N152-R155 PolarHBondContact O-N 3.05Å; N152-V156 VanDerWaalsContact O-CG2 3.31Å; N152-V156 WeakPolarHBondContact O-CG2 3.43Å; N152-V156 PolarHBondContact O-N 3.17Å
153F85.3Confident76.9Confident44 Ų4489.9 Ų89.919%0.19349%0.486CS..Hα-helixtrans-63.8-48.6173.7174.1-87.4000110V148 G150 E151 R155 V156 V157 I171 M174V148-F153 HydrophobicContact CG1-CB 4.35Å; V148-F153 VanDerWaalsContact CG1-N 3.35Å; G150-F153 WeakPolarHBondContact O-CA 3.33Å; G150-F153 VanDerWaalsContact O-CB 3.24Å; G150-F153 WeakPolarHBondContact O-CB 3.46Å; G150-F153 PolarHBondContact O-N 3.2Å; E151-F153 VanDerWaalsContact C-N 3.33Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 3.29Å; F153-V156 PolarHBondContact O-N 3.39Å; F153-V157 HydrophobicContact CD1-CG2 3.84Å; F153-V157 HydrophobicContact CE1-CG2 3.56Å; F153-V157 HydrophobicContact CE2-CG2 4.41Å; F153-V157 HydrophobicContact CG-CG2 4.36Å; F153-V157 HydrophobicContact CZ-CG2 3.86Å; F153-V157 WeakPolarHBondContact O-CB 3.42Å; F153-V157 WeakPolarHBondContact O-CG2 3.42Å; F153-V157 PolarHBondContact O-N 3.4Å; F153-I171 HydrophobicContact CE1-CG1 4.46Å; F153-I171 HydrophobicContact CZ-CG1 4.3Å; F153-I171 HydrophobicContact CZ-CG2 4.44Å; F153-M174 HydrophobicContact CD2-CB 4.33Å; F153-M174 HydrophobicContact CD2-CG 4.35Å; F153-M174 HydrophobicContact CD2-SD 3.47Å; F153-M174 WeakPolarHBondContact CD2-SD 3.45Å; F153-M174 HydrophobicContact CE2-CB 3.48Å; F153-M174 VanDerWaalsContact CE2-CB 3.48Å; F153-M174 HydrophobicContact CE2-CG 3.79Å; F153-M174 HydrophobicContact CE2-SD 3.54Å; F153-M174 VanDerWaalsContact CE2-SD 3.54Å; F153-M174 HydrophobicContact CG-SD 4.35Å; F153-M174 HydrophobicContact CZ-CB 4.12Å; F153-M174 HydrophobicContact CZ-CG 4.36Å; F153-M174 HydrophobicContact CZ-SD 4.43Å
154E87.4Confident79Confident120 Ų12090.3 Ų90.356%0.56149%0.491SS*.Hα-helixtrans-63.3-34.8177.8-66.4-159.9100.700112.5G150 E151 V157 K158G150-E154 PolarHBondContact O-N 3.35Å; E151-E154 PolarHBondContact O-N 3.45Å; E154-V157 PolarHBondContact O-N 3.39Å; E154-K158 VanDerWaalsContact O-CB 3.3Å; E154-K158 WeakPolarHBondContact O-CB 3.41Å; E154-K158 PolarHBondContact O-N 3.25Å
155R88.5Confident81.1Confident191 Ų19183.6 Ų83.672%0.72146%0.459SS*.Hα-helixtrans-63.9-46.8174.2-171.4179.7-174.1125.51.3111.9E151 N152 F153 K158 E159E151-R155 WeakPolarHBondContact O-CB 3.29Å; E151-R155 PolarHBondContact O-N 3.44Å; N152-R155 PolarHBondContact O-N 3.05Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 3.29Å; R155-K158 PolarHBondContact O-N 3.06Å; R155-E159 PolarHBondContact O-N 2.93Å
156V85.6Confident82.9Confident20 Ų2084.9 Ų84.912%0.12145%0.454CS..Hα-helixtrans-63-45.8175.7169.40000110.3V148 N152 F153 K158 E159 L160 M174 P181V148-V156 HydrophobicContact CG1-CG2 4.1Å; N152-V156 VanDerWaalsContact O-CG2 3.31Å; N152-V156 WeakPolarHBondContact O-CG2 3.43Å; N152-V156 PolarHBondContact O-N 3.17Å; F153-V156 PolarHBondContact O-N 3.39Å; V156-K158 PolarHBondContact O-N 3.49Å; V156-E159 WeakPolarHBondContact O-CB 3.34Å; V156-E159 PolarHBondContact O-N 2.98Å; V156-E159 VanDerWaalsContact O-N 3.12Å; V156-L160 HydrophobicContact CG1-CD1 3.91Å; V156-L160 HydrophobicContact CG1-CD2 4.42Å; V156-L160 WeakPolarHBondContact O-CD1 3.24Å; V156-L160 PolarHBondContact O-N 2.96Å; V156-M174 HydrophobicContact CB-SD 4.41Å; V156-M174 HydrophobicContact CG1-CE 3.95Å; V156-M174 HydrophobicContact CG1-SD 3.85Å; V156-P181 HydrophobicContact CG1-CB 3.73Å; V156-P181 HydrophobicContact CG2-CB 4.25Å
157V88.6Confident84Confident4 Ų487.5 Ų87.52%0.02445%0.451CS..Hα-helixtrans-57.9-40.9176.71730000110.7F153 E154 L160 M161 R167 V170 I171 M174F153-V157 HydrophobicContact CD1-CG2 3.84Å; F153-V157 HydrophobicContact CE1-CG2 3.56Å; F153-V157 HydrophobicContact CE2-CG2 4.41Å; F153-V157 HydrophobicContact CG-CG2 4.36Å; F153-V157 HydrophobicContact CZ-CG2 3.86Å; F153-V157 WeakPolarHBondContact O-CB 3.42Å; F153-V157 WeakPolarHBondContact O-CG2 3.42Å; F153-V157 PolarHBondContact O-N 3.4Å; E154-V157 PolarHBondContact O-N 3.39Å; V157-L160 PolarHBondContact O-N 2.75Å; V157-M161 HydrophobicContact CG1-CE 4.09Å; V157-M161 HydrophobicContact CG1-CG 4.41Å; V157-M161 HydrophobicContact CG1-SD 4.32Å; V157-M161 WeakPolarHBondContact O-CB 3.41Å; V157-M161 VanDerWaalsContact O-CG 3.22Å; V157-M161 WeakPolarHBondContact O-CG 3.48Å; V157-M161 PolarHBondContact O-N 2.85Å; V157-R167 HydrophobicContact CG1-CG 4.22Å; V157-V170 HydrophobicContact CB-CG1 4.16Å; V157-V170 HydrophobicContact CG1-CG1 4.05Å; V157-V170 HydrophobicContact CG2-CG1 4Å; V157-I171 HydrophobicContact CG1-CG1 4.49Å; V157-I171 HydrophobicContact CG2-CG1 4.49Å; V157-M174 HydrophobicContact CG2-CG 4.47Å; V157-M174 HydrophobicContact CG2-SD 4.39Å
158K89.9Confident85.1Confident148 Ų14886.9 Ų86.964%0.64345%0.454SS*.Hα-helixtrans-65.8-39.5176.6-168.7171.4-172.4166.80113.2E154 R155 V156 M161 S162E154-K158 VanDerWaalsContact O-CB 3.3Å; E154-K158 WeakPolarHBondContact O-CB 3.41Å; E154-K158 PolarHBondContact O-N 3.25Å; R155-K158 PolarHBondContact O-N 3.06Å; V156-K158 PolarHBondContact O-N 3.49Å; K158-M161 HydrophobicContact CB-CE 4.26Å; K158-M161 HydrophobicContact CG-CE 4.46Å; K158-S162 WeakPolarHBondContact O-CB 3.3Å; K158-S162 PolarHBondContact O-N 3.05Å
159E87.9Confident85.8Confident120 Ų12089.5 Ų89.556%0.56147%0.467SS*.Hα-helixtrans-65.4-46.7175.5-167.272.991.800111.2R155 V156 M161 S162 M163R155-E159 PolarHBondContact O-N 2.93Å; V156-E159 WeakPolarHBondContact O-CB 3.34Å; V156-E159 PolarHBondContact O-N 2.98Å; V156-E159 VanDerWaalsContact O-N 3.12Å; E159-M161 PolarHBondContact O-N 3.23Å; E159-S162 WeakPolarHBondContact O-CA 3.33Å; E159-S162 WeakPolarHBondContact O-CB 3.46Å; E159-S162 PolarHBondContact O-N 2.93Å; E159-M163 PolarHBondContact O-N 3.09Å; E159-M163 VanDerWaalsContact O-N 3.09Å
160L86.6Confident86.4Confident14 Ų1485.4 Ų85.47%0.07344%0.442CS..Hα-helixtrans-65.3-38.2177.7-88.160.4000111.5V156 V157 S162 M163 F165 V170 A184 L188V156-L160 HydrophobicContact CG1-CD1 3.91Å; V156-L160 HydrophobicContact CG1-CD2 4.42Å; V156-L160 WeakPolarHBondContact O-CD1 3.24Å; V156-L160 PolarHBondContact O-N 2.96Å; V157-L160 PolarHBondContact O-N 2.75Å; L160-S162 VanDerWaalsContact C-N 3.3Å; L160-S162 PolarHBondContact O-N 3.29Å; L160-M163 WeakPolarHBondContact O-CB 3.46Å; L160-M163 PolarHBondContact O-N 3.18Å; L160-F165 WeakPolarHBondContact O-CD2 3.45Å; L160-F165 PolarHBondContact O-N 2.99Å; L160-V170 HydrophobicContact CB-CG1 3.73Å; L160-V170 HydrophobicContact CB-CG2 3.87Å; L160-V170 HydrophobicContact CD2-CG1 3.76Å; L160-V170 HydrophobicContact CG-CG1 4.4Å; L160-A184 HydrophobicContact CD2-CB 4.25Å; L160-L188 HydrophobicContact CB-CD1 4.45Å; L160-L188 HydrophobicContact CD2-CD1 3.57Å; L160-L188 HydrophobicContact CG-CD1 4.18Å
161M88.6Confident86.8Confident62 Ų6286.2 Ų86.231%0.30543%0.433SS..Hα-helixtrans-62.2-38.1170-76.7-172.6-54.600112.1V157 K158 E159 M163 G164 F165 R167V157-M161 HydrophobicContact CG1-CE 4.09Å; V157-M161 HydrophobicContact CG1-CG 4.41Å; V157-M161 HydrophobicContact CG1-SD 4.32Å; V157-M161 WeakPolarHBondContact O-CB 3.41Å; V157-M161 VanDerWaalsContact O-CG 3.22Å; V157-M161 WeakPolarHBondContact O-CG 3.48Å; V157-M161 PolarHBondContact O-N 2.85Å; K158-M161 HydrophobicContact CB-CE 4.26Å; K158-M161 HydrophobicContact CG-CE 4.46Å; E159-M161 PolarHBondContact O-N 3.23Å; M161-M163 PolarHBondContact O-N 3.04Å; M161-G164 PolarHBondContact O-N 3.12Å; M161-F165 WeakPolarHBondContact CA-O 3.22Å; M161-R167 HydrophobicContact CG-CB 4.22Å; M161-R167 HydrophobicContact SD-CB 3.52Å; M161-R167 VanDerWaalsContact SD-CB 3.52Å; M161-R167 HydrophobicContact SD-CG 3.51Å; M161-R167 VanDerWaalsContact SD-CG 3.51Å
162S88.8Confident87Confident100 Ų10081 Ų8170%0.69941%0.409SS*.Hα-helixtrans-67.4-20.2177.4-158.90000112.8K158 E159 L160 G164K158-S162 WeakPolarHBondContact O-CB 3.3Å; K158-S162 PolarHBondContact O-N 3.05Å; E159-S162 WeakPolarHBondContact O-CA 3.33Å; E159-S162 WeakPolarHBondContact O-CB 3.46Å; E159-S162 PolarHBondContact O-N 2.93Å; L160-S162 VanDerWaalsContact C-N 3.3Å; L160-S162 PolarHBondContact O-N 3.29Å; S162-G164 VanDerWaalsContact C-N 3.3Å
163M82.2Confident87.4Confident118 Ų11876.1 Ų76.158%0.58138%0.382SS*.THydrogen-bonded Turntrans-83.2-6.6173.2-154.8171.5-70.600113E159 L160 M161 F165 F185E159-M163 PolarHBondContact O-N 3.09Å; E159-M163 VanDerWaalsContact O-N 3.09Å; L160-M163 WeakPolarHBondContact O-CB 3.46Å; L160-M163 PolarHBondContact O-N 3.18Å; M161-M163 PolarHBondContact O-N 3.04Å; M163-F165 HydrophobicContact CB-CD2 4.15Å; M163-F165 HydrophobicContact CB-CE2 4.2Å; M163-F165 HydrophobicContact CG-CE2 4.23Å; M163-F165 HydrophobicContact SD-CE2 4.17Å; M163-F185 HydrophobicContact SD-CD2 4.26Å; M163-F185 HydrophobicContact SD-CE2 3.47Å; M163-F185 WeakPolarHBondContact SD-CE2 3.42Å; M163-F185 HydrophobicContact SD-CZ 4.28Å
164G85.7Confident87.5Confident67 Ų6774 Ų7469%0.69137%0.373SS*.THydrogen-bonded Turntrans105.44.9175.100000115.2M161 S162M161-G164 PolarHBondContact O-N 3.12Å; S162-G164 VanDerWaalsContact C-N 3.3Å
165F85.8Confident87.4Confident50 Ų5074.9 Ų74.922%0.21937%0.371CS..  trans-81.4141.9176-61-72.7000111.6L160 M161 M163 V170 F185 L188L160-F165 WeakPolarHBondContact O-CD2 3.45Å; L160-F165 PolarHBondContact O-N 2.99Å; M161-F165 WeakPolarHBondContact CA-O 3.22Å; M163-F165 HydrophobicContact CB-CD2 4.15Å; M163-F165 HydrophobicContact CB-CE2 4.2Å; M163-F165 HydrophobicContact CG-CE2 4.23Å; M163-F165 HydrophobicContact SD-CE2 4.17Å; F165-V170 HydrophobicContact CB-CG2 3.52Å; F165-F185 HydrophobicContact CE2-CD2 4.13Å; F165-F185 AromaticContact CE2-CE2 3.89Å; F165-F185 HydrophobicContact CE2-CE2 3.89Å; F165-F185 HydrophobicContact CZ-CE2 4.21Å; F165-L188 HydrophobicContact CB-CD1 4.08Å; F165-L188 HydrophobicContact CB-CD2 4.17Å; F165-L188 HydrophobicContact CD1-CB 3.72Å; F165-L188 HydrophobicContact CD1-CD1 4.29Å; F165-L188 HydrophobicContact CD1-CD2 4.04Å; F165-L188 HydrophobicContact CD1-CG 4.23Å; F165-L188 HydrophobicContact CD2-CB 4.45Å; F165-L188 HydrophobicContact CD2-CD1 4.01Å; F165-L188 HydrophobicContact CE1-CB 3.64Å; F165-L188 HydrophobicContact CE2-CB 4.38Å; F165-L188 HydrophobicContact CG-CB 4.13Å; F165-L188 HydrophobicContact CG-CD1 3.87Å; F165-L188 HydrophobicContact CG-CD2 4.2Å; F165-L188 HydrophobicContact CG-CG 4.3Å; F165-L188 HydrophobicContact CZ-CB 3.98Å
166E88.5Confident87.3Confident128 Ų12866.5 Ų66.560%0.59834%0.343SS*.  trans-70.2137.9179.5-166.3-179.5110.400111.2S168 L169 V170E166-S168 PolarHBondContact O-N 2.97Å; E166-S168 VanDerWaalsContact O-N 3.12Å; E166-S168 PolarHBondContact OE1-OG 3.02Å; E166-L169 HydrophobicContact CB-CB 4.33Å; E166-L169 WeakPolarHBondContact O-CA 3.24Å; E166-L169 WeakPolarHBondContact O-CB 3.49Å; E166-L169 PolarHBondContact O-N 3.47Å; E166-V170 WeakPolarHBondContact O-CG2 3.27Å; E166-V170 PolarHBondContact O-N 3.33Å
167R86.6Confident87.2Confident138 Ų13865.5 Ų65.552%0.52134%0.337SS..Hα-helixtrans-49.8-42.3-178.5-165.8175.8-148-1662.4113V157 M161 V170 I171V157-R167 HydrophobicContact CG1-CG 4.22Å; M161-R167 HydrophobicContact CG-CB 4.22Å; M161-R167 HydrophobicContact SD-CB 3.52Å; M161-R167 VanDerWaalsContact SD-CB 3.52Å; M161-R167 HydrophobicContact SD-CG 3.51Å; M161-R167 VanDerWaalsContact SD-CG 3.51Å; R167-V170 PolarHBondContact O-N 3.39Å; R167-I171 HydrophobicContact CG-CD1 3.96Å; R167-I171 VanDerWaalsContact O-CG1 3.27Å; R167-I171 WeakPolarHBondContact O-CG1 3.46Å; R167-I171 PolarHBondContact O-N 3.4Å
168S87.3Confident87Confident72 Ų7272 Ų7250%0.50337%0.365SS..Hα-helixtrans-60.9-48178.5-45.30000111.2E166 V170 I171 Q172E166-S168 PolarHBondContact O-N 2.97Å; E166-S168 VanDerWaalsContact O-N 3.12Å; E166-S168 PolarHBondContact OE1-OG 3.02Å; S168-V170 PolarHBondContact O-N 3.48Å; S168-I171 PolarHBondContact O-N 3.29Å; S168-Q172 WeakPolarHBondContact O-CB 3.33Å; S168-Q172 PolarHBondContact O-N 3.5Å
169L87.7Confident86.9Confident67 Ų6767.4 Ų67.435%0.35135%0.348SS..Hα-helixtrans-62.3-42.9177.7-125.892.2000111.3E166 Q172 A173 L188 I193E166-L169 HydrophobicContact CB-CB 4.33Å; E166-L169 WeakPolarHBondContact O-CA 3.24Å; E166-L169 WeakPolarHBondContact O-CB 3.49Å; E166-L169 PolarHBondContact O-N 3.47Å; L169-Q172 PolarHBondContact O-N 2.87Å; L169-A173 WeakPolarHBondContact O-CB 3.16Å; L169-A173 PolarHBondContact O-N 2.99Å; L169-L188 HydrophobicContact CB-CD2 3.77Å; L169-L188 HydrophobicContact CD2-CD2 3.65Å; L169-L188 HydrophobicContact CG-CD2 4.08Å; L169-I193 HydrophobicContact CB-CD1 4.23Å; L169-I193 HydrophobicContact CD1-CD1 4.36Å; L169-I193 HydrophobicContact CD2-CD1 3.35Å; L169-I193 HydrophobicContact CG-CD1 3.31Å
170V89.3Confident86.9Confident0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-65.1-43.2-179.7177.10000111.4V157 L160 F165 E166 R167 S168 A173 M174 L188V157-V170 HydrophobicContact CB-CG1 4.16Å; V157-V170 HydrophobicContact CG1-CG1 4.05Å; V157-V170 HydrophobicContact CG2-CG1 4Å; L160-V170 HydrophobicContact CB-CG1 3.73Å; L160-V170 HydrophobicContact CB-CG2 3.87Å; L160-V170 HydrophobicContact CD2-CG1 3.76Å; L160-V170 HydrophobicContact CG-CG1 4.4Å; F165-V170 HydrophobicContact CB-CG2 3.52Å; E166-V170 WeakPolarHBondContact O-CG2 3.27Å; E166-V170 PolarHBondContact O-N 3.33Å; R167-V170 PolarHBondContact O-N 3.39Å; S168-V170 PolarHBondContact O-N 3.48Å; V170-A173 PolarHBondContact O-N 2.88Å; V170-M174 HydrophobicContact CG1-CG 4.45Å; V170-M174 WeakPolarHBondContact O-CB 3.47Å; V170-M174 VanDerWaalsContact O-CG 3.25Å; V170-M174 WeakPolarHBondContact O-CG 3.35Å; V170-M174 PolarHBondContact O-N 3.4Å; V170-L188 HydrophobicContact CB-CD1 4.4Å; V170-L188 HydrophobicContact CG2-CD1 3.82Å; V170-L188 HydrophobicContact CG2-CD2 4.3Å
171I88.1Confident86.9Confident71 Ų7163.8 Ų63.836%0.36433%0.334SS..Hα-helixtrans-65.5-42.6176.8-68.2167.3000110F153 V157 R167 S168 M174 R175F153-I171 HydrophobicContact CE1-CG1 4.46Å; F153-I171 HydrophobicContact CZ-CG1 4.3Å; F153-I171 HydrophobicContact CZ-CG2 4.44Å; V157-I171 HydrophobicContact CG1-CG1 4.49Å; V157-I171 HydrophobicContact CG2-CG1 4.49Å; R167-I171 HydrophobicContact CG-CD1 3.96Å; R167-I171 VanDerWaalsContact O-CG1 3.27Å; R167-I171 WeakPolarHBondContact O-CG1 3.46Å; R167-I171 PolarHBondContact O-N 3.4Å; S168-I171 PolarHBondContact O-N 3.29Å; I171-M174 PolarHBondContact O-N 3.38Å; I171-R175 WeakPolarHBondContact O-CB 3.35Å; I171-R175 PolarHBondContact O-N 2.81Å
172Q88Confident86.8Confident64 Ų6466.7 Ų66.730%0.29935%0.35SS..Hα-helixtrans-62.8-43.8176.6-166.4-176.7-22.800111.4S168 L169 R175 A176 I193S168-Q172 WeakPolarHBondContact O-CB 3.33Å; S168-Q172 PolarHBondContact O-N 3.5Å; L169-Q172 PolarHBondContact O-N 2.87Å; Q172-R175 PolarHBondContact O-N 3.41Å; Q172-A176 VanDerWaalsContact O-CB 3.32Å; Q172-A176 WeakPolarHBondContact O-CB 3.46Å; Q172-A176 PolarHBondContact O-N 3.36Å; Q172-I193 HydrophobicContact CB-CG2 3.96Å; Q172-I193 HydrophobicContact CG-CG2 3.54Å
173A88.2Confident86.7Confident0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-67-37.7176.800000112.7L169 V170 R175 G177 A184 L188 I193L169-A173 WeakPolarHBondContact O-CB 3.16Å; L169-A173 PolarHBondContact O-N 2.99Å; V170-A173 PolarHBondContact O-N 2.88Å; A173-R175 VanDerWaalsContact C-N 3.34Å; A173-G177 WeakPolarHBondContact O-CA 3.41Å; A173-G177 PolarHBondContact O-N 3.42Å; A173-A184 HydrophobicContact CB-CB 4.1Å; A173-A184 WeakPolarHBondContact CB-O 3.43Å; A173-L188 HydrophobicContact CB-CD1 4.3Å; A173-L188 HydrophobicContact CB-CD2 3.93Å; A173-L188 HydrophobicContact CB-CG 3.69Å; A173-I193 HydrophobicContact CB-CD1 4.38Å; A173-I193 HydrophobicContact CB-CG1 4.21Å; A173-I193 HydrophobicContact CB-CG2 4.24Å
174M87.3Confident86.9Confident0 Ų062.9 Ų62.90%031%0.314CS..Hα-helixtrans-64.7-40.2171.4-73.1-118.283.700111.1F153 V156 V157 V170 I171 G177 F178 N179 N180 P181 A184F153-M174 HydrophobicContact CD2-CB 4.33Å; F153-M174 HydrophobicContact CD2-CG 4.35Å; F153-M174 HydrophobicContact CD2-SD 3.47Å; F153-M174 WeakPolarHBondContact CD2-SD 3.45Å; F153-M174 HydrophobicContact CE2-CB 3.48Å; F153-M174 VanDerWaalsContact CE2-CB 3.48Å; F153-M174 HydrophobicContact CE2-CG 3.79Å; F153-M174 HydrophobicContact CE2-SD 3.54Å; F153-M174 VanDerWaalsContact CE2-SD 3.54Å; F153-M174 HydrophobicContact CG-SD 4.35Å; F153-M174 HydrophobicContact CZ-CB 4.12Å; F153-M174 HydrophobicContact CZ-CG 4.36Å; F153-M174 HydrophobicContact CZ-SD 4.43Å; V156-M174 HydrophobicContact CB-SD 4.41Å; V156-M174 HydrophobicContact CG1-CE 3.95Å; V156-M174 HydrophobicContact CG1-SD 3.85Å; V157-M174 HydrophobicContact CG2-CG 4.47Å; V157-M174 HydrophobicContact CG2-SD 4.39Å; V170-M174 HydrophobicContact CG1-CG 4.45Å; V170-M174 WeakPolarHBondContact O-CB 3.47Å; V170-M174 VanDerWaalsContact O-CG 3.25Å; V170-M174 WeakPolarHBondContact O-CG 3.35Å; V170-M174 PolarHBondContact O-N 3.4Å; I171-M174 PolarHBondContact O-N 3.38Å; M174-G177 CarbonylContact O-C 3.21Å; M174-G177 PolarHBondContact O-N 2.92Å; M174-F178 PolarHBondContact O-N 3.49Å; M174-N179 WeakPolarHBondContact O-CA 3.28Å; M174-N179 PolarHBondContact O-N 2.96Å; M174-N180 WeakPolarHBondContact CE-O 3.34Å; M174-P181 VanDerWaalsContact CE-CA 3.43Å; M174-P181 HydrophobicContact CE-CB 4.18Å; M174-A184 HydrophobicContact CB-CB 4.4Å; M174-A184 HydrophobicContact CE-CB 3.97Å; M174-A184 HydrophobicContact CG-CB 3.89Å
175R85.9Confident86.9Confident139 Ų13963.1 Ų63.153%0.52530%0.297SS..Hα-helixtrans-67.1-45.3178.7-164.2174.5-172.9-177-3.5111.4I171 Q172 A173 F178I171-R175 WeakPolarHBondContact O-CB 3.35Å; I171-R175 PolarHBondContact O-N 2.81Å; Q172-R175 PolarHBondContact O-N 3.41Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-F178 PolarHBondContact O-N 2.99Å; R175-F178 VanDerWaalsContact O-N 3.16Å
176A86.2Confident87Confident14 Ų1466.3 Ų66.312%0.11631%0.312CS..Hα-helixtrans-60.9-43172.200000112.4Q172 F178 Y187 I193 P194 V196Q172-A176 VanDerWaalsContact O-CB 3.32Å; Q172-A176 WeakPolarHBondContact O-CB 3.46Å; Q172-A176 PolarHBondContact O-N 3.36Å; A176-F178 PolarHBondContact O-N 3.34Å; A176-F178 VanDerWaalsContact O-N 3.12Å; A176-Y187 HydrophobicContact CB-CD2 3.89Å; A176-Y187 HydrophobicContact CB-CE2 3.81Å; A176-I193 HydrophobicContact CB-CG2 4.36Å; A176-P194 HydrophobicContact CB-CG 3.75Å; A176-V196 HydrophobicContact CB-CG2 4.17Å
177G84.2Confident87Confident0 Ų063.3 Ų63.30%030%0.296CS..THydrogen-bonded Turntrans-72.55.6176.100000114A173 M174 N179 N180A173-G177 WeakPolarHBondContact O-CA 3.41Å; A173-G177 PolarHBondContact O-N 3.42Å; M174-G177 CarbonylContact O-C 3.21Å; M174-G177 PolarHBondContact O-N 2.92Å; G177-N179 VanDerWaalsContact C-N 3.32Å; G177-N179 PolarHBondContact O-N 2.95Å; G177-N180 WeakPolarHBondContact O-CB 3.18Å; G177-N180 PolarHBondContact O-N 3.11Å; G177-N180 PolarHBondContact O-ND2 2.87Å
178F84.4Confident87.1Confident139 Ų13957.2 Ų57.261%0.6127%0.273SS*.THydrogen-bonded Turntrans55.346.8-178.9-154.2-96.7000111.8L147 M174 R175 A176 N180L147-F178 HydrophobicContact CD1-CD1 3.65Å; L147-F178 HydrophobicContact CD1-CE1 4.02Å; L147-F178 WeakPolarHBondContact CD1-O 3.2Å; M174-F178 PolarHBondContact O-N 3.49Å; R175-F178 PolarHBondContact O-N 2.99Å; R175-F178 VanDerWaalsContact O-N 3.16Å; A176-F178 PolarHBondContact O-N 3.34Å; A176-F178 VanDerWaalsContact O-N 3.12Å; F178-N180 PolarHBondContact O-N 2.8Å; F178-N180 PolarHBondContact O-ND2 3.22Å
179N87Confident87Confident53 Ų5356.8 Ų56.828%0.28327%0.271SS..THydrogen-bonded Turntrans57.428.6-174.9-61.8-79.1000114.7L147 V148 M174 G177L147-N179 HydrophobicContact CD1-CB 4.02Å; L147-N179 HydrophobicContact CG-CB 4.22Å; V148-N179 PolarHBondContact N-O 3.49Å; V148-N179 WeakPolarHBondContact O-CB 3.21Å; M174-N179 WeakPolarHBondContact O-CA 3.28Å; M174-N179 PolarHBondContact O-N 2.96Å; G177-N179 VanDerWaalsContact C-N 3.32Å; G177-N179 PolarHBondContact O-N 2.95Å
180N89.6Confident86.8Confident27 Ų2757.9 Ų57.914%0.14428%0.284CS..  trans-98.8124.2171.1-66.7-87.6000110.4M174 G177 F178 D182 R183 A184M174-N180 WeakPolarHBondContact CE-O 3.34Å; G177-N180 WeakPolarHBondContact O-CB 3.18Å; G177-N180 PolarHBondContact O-N 3.11Å; G177-N180 PolarHBondContact O-ND2 2.87Å; F178-N180 PolarHBondContact O-N 2.8Å; F178-N180 PolarHBondContact O-ND2 3.22Å; N180-D182 VanDerWaalsContact C-N 3.32Å; N180-D182 PolarHBondContact O-N 3.03Å; N180-R183 HydrophobicContact CB-CB 4.24Å; N180-R183 HydrophobicContact CB-CG 4.41Å; N180-A184 WeakPolarHBondContact O-CB 3.34Å; N180-A184 PolarHBondContact O-N 3.11Å
181P86.1Confident86.4Confident31 Ų3160.7 Ų60.720%0.20131%0.313CS..Hα-helixtrans-62.4-38-179.524.6-33.6000113V148 V156 M174 A184 F185V148-P181 HydrophobicContact CG2-CG 4.15Å; V156-P181 HydrophobicContact CG1-CB 3.73Å; V156-P181 HydrophobicContact CG2-CB 4.25Å; M174-P181 VanDerWaalsContact CE-CA 3.43Å; M174-P181 HydrophobicContact CE-CB 4.18Å; P181-A184 PolarHBondContact O-N 3.03Å; P181-F185 PolarHBondContact O-N 3.46Å
182D86.1Confident85.9Confident122 Ų12262.7 Ų62.765%0.65232%0.324SS*.Hα-helixtrans-67-50.8-177.8-167.6-102.1000111.5N180 A184 F185 E186N180-D182 VanDerWaalsContact C-N 3.32Å; N180-D182 PolarHBondContact O-N 3.03Å; D182-A184 VanDerWaalsContact C-N 3.29Å; D182-A184 PolarHBondContact O-N 2.76Å; D182-F185 PolarHBondContact O-N 3.11Å; D182-E186 PolarHBondContact O-N 3.22Å
183R85.9Confident85.3Confident138 Ų13860.9 Ų60.952%0.52132%0.316SS..Hα-helixtrans-60.5-38.5172.8-73.2-169.4-178.7177.71.3112.5N180 F185 E186 Y187N180-R183 HydrophobicContact CB-CB 4.24Å; N180-R183 HydrophobicContact CB-CG 4.41Å; R183-F185 VanDerWaalsContact C-N 3.35Å; R183-E186 PolarHBondContact O-N 2.96Å; R183-Y187 HydrophobicContact CB-CD2 4.49Å; R183-Y187 HydrophobicContact CB-CE2 4.23Å; R183-Y187 WeakPolarHBondContact O-CD2 3.28Å; R183-Y187 PolarHBondContact O-N 2.81Å
184A86.7Confident84.5Confident0 Ų063 Ų630%033%0.33CS..Hα-helixtrans-61.7-45.2176.700000111.1L160 A173 M174 N180 P181 D182 Y187 L188L160-A184 HydrophobicContact CD2-CB 4.25Å; A173-A184 HydrophobicContact CB-CB 4.1Å; A173-A184 WeakPolarHBondContact CB-O 3.43Å; M174-A184 HydrophobicContact CB-CB 4.4Å; M174-A184 HydrophobicContact CE-CB 3.97Å; M174-A184 HydrophobicContact CG-CB 3.89Å; N180-A184 WeakPolarHBondContact O-CB 3.34Å; N180-A184 PolarHBondContact O-N 3.11Å; P181-A184 PolarHBondContact O-N 3.03Å; D182-A184 VanDerWaalsContact C-N 3.29Å; D182-A184 PolarHBondContact O-N 2.76Å; A184-Y187 PolarHBondContact O-N 3.29Å; A184-L188 WeakPolarHBondContact O-CB 3.5Å; A184-L188 WeakPolarHBondContact O-CD1 3.46Å; A184-L188 WeakPolarHBondContact O-CG 3.47Å; A184-L188 PolarHBondContact O-N 3.29Å
185F86.7Confident83.3Confident73 Ų7368.9 Ų68.932%0.3236%0.362SS..Hα-helixtrans-63.1-40.2175.7-179.8-98.8000112.5M163 F165 P181 D182 R183 L188 S189M163-F185 HydrophobicContact SD-CD2 4.26Å; M163-F185 HydrophobicContact SD-CE2 3.47Å; M163-F185 WeakPolarHBondContact SD-CE2 3.42Å; M163-F185 HydrophobicContact SD-CZ 4.28Å; F165-F185 HydrophobicContact CE2-CD2 4.13Å; F165-F185 AromaticContact CE2-CE2 3.89Å; F165-F185 HydrophobicContact CE2-CE2 3.89Å; F165-F185 HydrophobicContact CZ-CE2 4.21Å; P181-F185 PolarHBondContact O-N 3.46Å; D182-F185 PolarHBondContact O-N 3.11Å; R183-F185 VanDerWaalsContact C-N 3.35Å; F185-L188 PolarHBondContact O-N 3.48Å; F185-S189 VanDerWaalsContact CE1-OG 3.3Å; F185-S189 WeakPolarHBondContact CE1-OG 3.19Å; F185-S189 VanDerWaalsContact CZ-OG 3.27Å; F185-S189 WeakPolarHBondContact CZ-OG 3.43Å; F185-S189 VanDerWaalsContact O-CB 3.24Å; F185-S189 WeakPolarHBondContact O-CB 3.31Å; F185-S189 PolarHBondContact O-N 3.49Å; F185-S189 PolarHBondContact O-OG 2.9Å
186E88.2Confident81.8Confident116 Ų11665.1 Ų65.154%0.54235%0.354SS..Hα-helixtrans-61.6-45.1174.5-79.6-71.8101.100112D182 R183 L188 S189 S190D182-E186 PolarHBondContact O-N 3.22Å; R183-E186 PolarHBondContact O-N 2.96Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.41Å; E186-S189 PolarHBondContact O-N 2.89Å; E186-S190 WeakPolarHBondContact O-CB 3.44Å; E186-S190 PolarHBondContact O-N 2.83Å
187Y88.4Confident79.9Confident65 Ų6569.5 Ų69.526%0.25538%0.375SS..Hα-helixtrans-64.6-38.8177.1-71.1-50.5000112.4A176 R183 A184 G191 N192 I193 P194A176-Y187 HydrophobicContact CB-CD2 3.89Å; A176-Y187 HydrophobicContact CB-CE2 3.81Å; R183-Y187 HydrophobicContact CB-CD2 4.49Å; R183-Y187 HydrophobicContact CB-CE2 4.23Å; R183-Y187 WeakPolarHBondContact O-CD2 3.28Å; R183-Y187 PolarHBondContact O-N 2.81Å; A184-Y187 PolarHBondContact O-N 3.29Å; Y187-G191 WeakPolarHBondContact O-CA 3.36Å; Y187-G191 PolarHBondContact O-N 2.88Å; Y187-N192 WeakPolarHBondContact CD1-O 3.47Å; Y187-N192 PolarHBondContact O-N 2.9Å; Y187-I193 WeakPolarHBondContact O-CG1 3.44Å; Y187-P194 HydrophobicContact CD1-CG 4.43Å; Y187-P194 HydrophobicContact CE1-CG 3.91Å
188L88.5Confident77.9Confident10 Ų1076.1 Ų76.15%0.05241%0.409CS..Hα-helixtrans-66.2-40.7174.6-70.4170.6000112.1L160 F165 L169 V170 A173 A184 F185 E186 G191 I193L160-L188 HydrophobicContact CB-CD1 4.45Å; L160-L188 HydrophobicContact CD2-CD1 3.57Å; L160-L188 HydrophobicContact CG-CD1 4.18Å; F165-L188 HydrophobicContact CB-CD1 4.08Å; F165-L188 HydrophobicContact CB-CD2 4.17Å; F165-L188 HydrophobicContact CD1-CB 3.72Å; F165-L188 HydrophobicContact CD1-CD1 4.29Å; F165-L188 HydrophobicContact CD1-CD2 4.04Å; F165-L188 HydrophobicContact CD1-CG 4.23Å; F165-L188 HydrophobicContact CD2-CB 4.45Å; F165-L188 HydrophobicContact CD2-CD1 4.01Å; F165-L188 HydrophobicContact CE1-CB 3.64Å; F165-L188 HydrophobicContact CE2-CB 4.38Å; F165-L188 HydrophobicContact CG-CB 4.13Å; F165-L188 HydrophobicContact CG-CD1 3.87Å; F165-L188 HydrophobicContact CG-CD2 4.2Å; F165-L188 HydrophobicContact CG-CG 4.3Å; F165-L188 HydrophobicContact CZ-CB 3.98Å; L169-L188 HydrophobicContact CB-CD2 3.77Å; L169-L188 HydrophobicContact CD2-CD2 3.65Å; L169-L188 HydrophobicContact CG-CD2 4.08Å; V170-L188 HydrophobicContact CB-CD1 4.4Å; V170-L188 HydrophobicContact CG2-CD1 3.82Å; V170-L188 HydrophobicContact CG2-CD2 4.3Å; A173-L188 HydrophobicContact CB-CD1 4.3Å; A173-L188 HydrophobicContact CB-CD2 3.93Å; A173-L188 HydrophobicContact CB-CG 3.69Å; A184-L188 WeakPolarHBondContact O-CB 3.5Å; A184-L188 WeakPolarHBondContact O-CD1 3.46Å; A184-L188 WeakPolarHBondContact O-CG 3.47Å; A184-L188 PolarHBondContact O-N 3.29Å; F185-L188 PolarHBondContact O-N 3.48Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.41Å; L188-G191 PolarHBondContact O-N 2.81Å; L188-I193 HydrophobicContact CD2-CD1 3.96Å
189S85Confident75.8Confident64 Ų6474.9 Ų74.945%0.44841%0.413SS..Hα-helixtrans-74.5-38.2-178.7-61.50000112.5F185 E186 G191F185-S189 VanDerWaalsContact CE1-OG 3.3Å; F185-S189 WeakPolarHBondContact CE1-OG 3.19Å; F185-S189 VanDerWaalsContact CZ-OG 3.27Å; F185-S189 WeakPolarHBondContact CZ-OG 3.43Å; F185-S189 VanDerWaalsContact O-CB 3.24Å; F185-S189 WeakPolarHBondContact O-CB 3.31Å; F185-S189 PolarHBondContact O-N 3.49Å; F185-S189 PolarHBondContact O-OG 2.9Å; E186-S189 PolarHBondContact O-N 2.89Å; S189-G191 VanDerWaalsContact C-N 3.28Å
190S83.7Confident73.3Confident89 Ų8978.3 Ų78.362%0.62243%0.431SS*.Hα-helixtrans-76.8-17.8175.7-168.50000112.1E186 N192E186-S190 WeakPolarHBondContact O-CB 3.44Å; E186-S190 PolarHBondContact O-N 2.83Å; S190-N192 PolarHBondContact O-N 3.22Å; S190-N192 VanDerWaalsContact O-N 3.17Å
191G79.6Confident70.8Confident60 Ų6086.8 Ų86.862%0.61947%0.47SS*.SBendtrans68.54.1-175.600000113.9Y187 L188 S189Y187-G191 WeakPolarHBondContact O-CA 3.36Å; Y187-G191 PolarHBondContact O-N 2.88Å; L188-G191 PolarHBondContact O-N 2.81Å; S189-G191 VanDerWaalsContact C-N 3.28Å
192N78.4Confident68.8Low113 Ų11389.5 Ų89.560%0.60449%0.49SS*.  trans-104.473.9-177.2-1684.4000109.6Y187 S190 P194Y187-N192 WeakPolarHBondContact CD1-O 3.47Å; Y187-N192 PolarHBondContact O-N 2.9Å; S190-N192 PolarHBondContact O-N 3.22Å; S190-N192 VanDerWaalsContact O-N 3.17Å; N192-P194 WeakPolarHBondContact O-CD 3.48Å
193I76.1Confident66.8Low25 Ų2594.7 Ų94.713%0.12850%0.5CS..  trans-89105.4179.9-58.5155.9000107.4L169 Q172 A173 A176 Y187 L188 N195L169-I193 HydrophobicContact CB-CD1 4.23Å; L169-I193 HydrophobicContact CD1-CD1 4.36Å; L169-I193 HydrophobicContact CD2-CD1 3.35Å; L169-I193 HydrophobicContact CG-CD1 3.31Å; Q172-I193 HydrophobicContact CB-CG2 3.96Å; Q172-I193 HydrophobicContact CG-CG2 3.54Å; A173-I193 HydrophobicContact CB-CD1 4.38Å; A173-I193 HydrophobicContact CB-CG1 4.21Å; A173-I193 HydrophobicContact CB-CG2 4.24Å; A176-I193 HydrophobicContact CB-CG2 4.36Å; Y187-I193 WeakPolarHBondContact O-CG1 3.44Å; L188-I193 HydrophobicContact CD2-CD1 3.96Å; I193-N195 PolarHBondContact O-N 3.18Å; I193-N195 VanDerWaalsContact O-N 3.14Å
194P70.2Confident64.7Low45 Ų4597.3 Ų97.329%0.29252%0.519SS..  trans-62125.7176.825.7-31000107.4A176 Y187 N192 V196A176-P194 HydrophobicContact CB-CG 3.75Å; Y187-P194 HydrophobicContact CD1-CG 4.43Å; Y187-P194 HydrophobicContact CE1-CG 3.91Å; N192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-V196 HydrophobicContact CB-CG2 3.94Å; P194-V196 HydrophobicContact CG-CG2 4.03Å; P194-V196 PolarHBondContact O-N 3.41Å
195N62.7Low62.8Low123 Ų123108.9 Ų108.966%0.65856%0.562SS**  trans-73.580.1173.9-1678.5000107.9I193 D197I193-N195 PolarHBondContact O-N 3.18Å; I193-N195 VanDerWaalsContact O-N 3.14Å; N195-D197 PolarHBondContact O-N 2.74Å
196V55.2Low60.7Low61 Ų61114.2 Ų114.237%0.3759%0.588SS.*  trans-79.574.7178.7-170.30000108.1A176 P194 I198A176-V196 HydrophobicContact CB-CG2 4.17Å; P194-V196 HydrophobicContact CB-CG2 3.94Å; P194-V196 HydrophobicContact CG-CG2 4.03Å; P194-V196 PolarHBondContact O-N 3.41Å; V196-I198 PolarHBondContact O-N 2.76Å; V196-I198 VanDerWaalsContact O-N 3.15Å
197D46Very low58.3Low105 Ų105117.4 Ų117.456%0.56160%0.603SS**SBendtrans-78.862.2154.6-165-107.5000108.6N195 V199N195-D197 PolarHBondContact O-N 2.74Å; D197-V199 WeakPolarHBondContact O-CG2 3.25Å; D197-V199 PolarHBondContact O-N 3.38Å
198I41.2Very low56Low139 Ų139118.9 Ų118.971%0.71362%0.623SS**SBendtrans31.448.6170-45.3154.3000113.2V196V196-I198 PolarHBondContact O-N 2.76Å; V196-I198 VanDerWaalsContact O-N 3.15Å
199V40.1Very low53.9Low114 Ų114127.1 Ų127.169%0.69166%0.661SS**  trans-100.9100.3171.8-94.10000105.8D197D197-V199 WeakPolarHBondContact O-CG2 3.25Å; D197-V199 PolarHBondContact O-N 3.38Å
200D35.6Very low51.6Low124 Ų124129.2 Ų129.266%0.66368%0.676SS**  trans44.893.4138.3-153.4-101.8000116.1S202D200-S202 PolarHBondContact O-N 2.8Å; D200-S202 WeakPolarHBondContact OD1-CB 3.41Å; D200-S202 PolarHBondContact OD1-OG 2.84Å
201Q35.9Very low49.6Very low206 Ų206131.8 Ų131.896%0.96369%0.687SS**THydrogen-bonded Turntrans-61.479.4162.1-75.8-177.4-1400110.5
202S45Very low47.7Very low88 Ų88134.2 Ų134.262%0.61570%0.695SS**THydrogen-bonded Turntrans-149.3-2.2171.5-44.50000116.5D200D200-S202 PolarHBondContact O-N 2.8Å; D200-S202 WeakPolarHBondContact OD1-CB 3.41Å; D200-S202 PolarHBondContact OD1-OG 2.84Å
203R44.9Very low46.4Very low231 Ų231133.8 Ų133.887%0.87270%0.698SS**  trans-109.553.4-169.9-107.3-175.9148126.1-2.8115.1
204E41.7Very low44.7Very low193 Ų193141.8 Ų141.890%0.90274%0.735SS**  trans-134.671.8166.9-112.7170.282.700110.1
205R45.6Very low43.5Very low243 Ų243143 Ų14392%0.91776%0.756SS**  trans-15666.4156.4-80.1-154.2179.9-173.30.2109.5
206E41.8Very low42.8Very low184 Ų184143.7 Ų143.786%0.8677%0.767SS**  trans-112.785.6158.6-81.6-176.182.700107.7
207E38.6Very low42.3Very low184 Ų184144.5 Ų144.586%0.8679%0.788SS**  trans-141.4116162.1-165.4172.294.600107.5
208S41.1Very low42Very low96 Ų96147.2 Ų147.267%0.67180%0.802SS**  trans121.1114.4159-52.60000116.9
209E44.3Very low42Very low182 Ų182146.5 Ų146.585%0.8581%0.805SS**  trans79.2103143.6-67.8175.180.400118.3
210S36.2Very low41.9Very low109 Ų109148 Ų14876%0.76281%0.809SS**  92.2137.371.4-960000113.6
211V40.8Very low42.1Very low142 Ų142148.3 Ų148.386%0.86182%0.815SS**  trans86.798.7162.2-55.40000121.2
212S40.2Very low42.4Very low112 Ų112144 Ų14478%0.78381%0.805SS**  trans-69.2-168.1147.6-36.60000111.5
213P50.7Low41.7Very low103 Ų103143.3 Ų143.367%0.66981%0.812SS**  cis-141-175.1-10.934.5-11.5000115.6
214E40.4Very low41.5Very low194 Ų194138.2 Ų138.291%0.90781%0.812SS**  trans84.8124.6147-83.6173.498.300122.8
215G46.6Very low41.1Very low71 Ų71137.3 Ų137.373%0.73281%0.808SS**  trans178.7109.9161.200000111
216P47.5Very low40.8Very low136 Ų136130.4 Ų130.488%0.88380%0.797SS**  trans-88.2141.4-17734.4-30.4000111.2
217G43.2Very low40.6Very low79 Ų79129 Ų12981%0.81479%0.794SS**  trans-163.293-178.800000112.4
218D40.4Very low40.4Very low161 Ų161124 Ų12486%0.86179%0.791SS**  trans-38132.2166-135.3-90000114.2
219T42.3Very low40.5Very low125 Ų125123.8 Ų123.877%0.76779%0.79SS**  trans176.3102.6133.1-63.20000110.3
220D36.3Very low40.8Very low144 Ų144124.4 Ų124.477%0.7779%0.793SS**  trans23.9106.5135.2-153.8-102000119
221T40.3Very low42Very low131 Ų131123.7 Ų123.780%0.80478%0.781SS**  trans-157.5129.4145.9-54.70000108.5
222P43Very low43Very low116 Ų116119.5 Ų119.575%0.75376%0.756SS**  trans-74.3154.3-164.430.5-35.8000113.3
223G30.5Very low44.2Very low73 Ų73114.4 Ų114.475%0.75372%0.721SS**  trans-54.7143-175.300000115
224S41Very low45.1Very low124 Ų124112.4 Ų112.487%0.86771%0.712SS**  trans-110.684.2152.7-147.20000107
225E31.7Very low46.6Very low175 Ų175106.1 Ų106.182%0.81869%0.694SS**  trans-73.7116.9156.8-60.41799400107.1
226S40.1Very low47.6Very low98 Ų98104.2 Ų104.269%0.68567%0.667SS**  trans-158.789.9162.7-172.20000105
227L36.7Very low48.5Very low154 Ų15498.2 Ų98.281%0.80663%0.629SS**  45.179.656.3-69.6-179.2000112.8
228G34.8Very low50Low78 Ų7898.4 Ų98.480%0.80462%0.617SS**  74.878.9128.200000116.9
229S44.5Very low52Low93 Ų9394.3 Ų94.365%0.6560%0.595SS**  trans-164.799.5142.643.60000107.9D231S229-D231 PolarHBondContact O-N 3.03Å
230E50Low53.7Low195 Ų19593.3 Ų93.391%0.91159%0.59SS**  trans-52.3104.9161.1-94.5151.460.700107.7P232E230-P232 WeakPolarHBondContact O-CD 3.44Å
231D60.4Low55.7Low93 Ų9391.7 Ų91.750%0.49758%0.578SS.*  trans-61.1109.8169.5-81.6-76.3000107.5S229 I233 A234 A235S229-D231 PolarHBondContact O-N 3.03Å; D231-I233 PolarHBondContact O-N 3.34Å; D231-I233 VanDerWaalsContact O-N 3.09Å; D231-A234 HydrophobicContact CB-CB 3.8Å; D231-A234 WeakPolarHBondContact O-CA 3.5Å; D231-A234 WeakPolarHBondContact O-CB 3.16Å; D231-A234 PolarHBondContact O-N 3.46Å; D231-A235 PolarHBondContact O-N 3.19Å
232P62.7Low57.3Low54 Ų5485.8 Ų85.835%0.35154%0.541SS..Hα-helixtrans-62-25.7-177.427.5-35.1000110.5E230 L236 L273E230-P232 WeakPolarHBondContact O-CD 3.44Å; P232-L236 WeakPolarHBondContact O-CB 3.36Å; P232-L236 PolarHBondContact O-N 3.4Å; P232-L273 HydrophobicContact CB-CD1 3.93Å; P232-L273 HydrophobicContact CB-CD2 4.43Å; P232-L273 HydrophobicContact CG-CD1 3.91Å
233I65.6Low59.2Low6 Ų684.5 Ų84.53%0.03153%0.526CS..Hα-helixtrans-69.7-32.3172.4-65.1-66.7000112.4D231 L236 A237 F242 L273 N277 A280 F284D231-I233 PolarHBondContact O-N 3.34Å; D231-I233 VanDerWaalsContact O-N 3.09Å; I233-L236 CarbonylContact O-C 3.49Å; I233-L236 PolarHBondContact O-N 2.73Å; I233-A237 WeakPolarHBondContact O-CA 3.42Å; I233-A237 WeakPolarHBondContact O-CB 3.37Å; I233-A237 PolarHBondContact O-N 3.14Å; I233-F242 HydrophobicContact CG2-CE1 4.39Å; I233-F242 HydrophobicContact CG2-CZ 4.06Å; I233-L273 HydrophobicContact CD1-CD2 3.86Å; I233-L273 HydrophobicContact CD1-CG 3.93Å; I233-N277 HydrophobicContact CD1-CB 3.89Å; I233-N277 HydrophobicContact CG1-CB 3.52Å; I233-A280 HydrophobicContact CB-CB 4.32Å; I233-A280 HydrophobicContact CG1-CB 4.11Å; I233-A280 HydrophobicContact CG2-CB 4.35Å; I233-F284 HydrophobicContact CG2-CB 4.36Å
234A69.5Low61.5Low60 Ų6087.5 Ų87.550%0.49652%0.52SS..Hα-helixtrans-71.2-3917600000111.7D231 A237 S238D231-A234 HydrophobicContact CB-CB 3.8Å; D231-A234 WeakPolarHBondContact O-CA 3.5Å; D231-A234 WeakPolarHBondContact O-CB 3.16Å; D231-A234 PolarHBondContact O-N 3.46Å; A234-A237 WeakPolarHBondContact O-CB 3.42Å; A234-A237 PolarHBondContact O-N 2.93Å; A234-S238 PolarHBondContact O-N 3.21Å
235A71.3Confident63Low62 Ų6282.9 Ų82.951%0.51249%0.485SS..Hα-helixtrans-63-44.3170.200000110.7D231 A237 S238 L239D231-A235 PolarHBondContact O-N 3.19Å; A235-A237 VanDerWaalsContact C-N 3.29Å; A235-A237 PolarHBondContact O-N 3.09Å; A235-S238 WeakPolarHBondContact O-CB 3.42Å; A235-S238 PolarHBondContact O-N 2.95Å; A235-S238 PolarHBondContact O-OG 2.81Å; A235-L239 WeakPolarHBondContact O-CD1 3.32Å
236L67.2Low65.3Low32 Ų3276 Ų7617%0.16845%0.451CS..Hα-helixtrans-63.9-34.6175.6-128.881.8000113.3P232 I233 S238 L239 F242 L270 L273P232-L236 WeakPolarHBondContact O-CB 3.36Å; P232-L236 PolarHBondContact O-N 3.4Å; I233-L236 CarbonylContact O-C 3.49Å; I233-L236 PolarHBondContact O-N 2.73Å; L236-S238 PolarHBondContact O-N 2.76Å; L236-L239 WeakPolarHBondContact O-CB 3.22Å; L236-L239 PolarHBondContact O-N 2.82Å; L236-F242 HydrophobicContact CD2-CD2 4.21Å; L236-F242 HydrophobicContact CD2-CE2 4.3Å; L236-F242 VanDerWaalsContact O-CB 3.31Å; L236-F242 WeakPolarHBondContact O-CB 3.45Å; L236-L270 HydrophobicContact CD1-CD2 4.14Å; L236-L270 HydrophobicContact CD2-CD2 3.24Å; L236-L270 HydrophobicContact CG-CD2 3.94Å; L236-L273 HydrophobicContact CB-CD2 4.49Å; L236-L273 HydrophobicContact CD1-CD2 3.66Å; L236-L273 HydrophobicContact CD2-CD2 3.6Å; L236-L273 HydrophobicContact CG-CD2 4.11Å
237A67Low67.3Low10 Ų1073.6 Ų73.68%0.08344%0.438CS..Hα-helixtrans-64.7-25.8-179.900000113.7I233 A234 A235 L239 F242 F284I233-A237 WeakPolarHBondContact O-CA 3.42Å; I233-A237 WeakPolarHBondContact O-CB 3.37Å; I233-A237 PolarHBondContact O-N 3.14Å; A234-A237 WeakPolarHBondContact O-CB 3.42Å; A234-A237 PolarHBondContact O-N 2.93Å; A235-A237 VanDerWaalsContact C-N 3.29Å; A235-A237 PolarHBondContact O-N 3.09Å; A237-L239 VanDerWaalsContact C-N 3.26Å; A237-F242 VanDerWaalsContact CA-CD1 3.42Å; A237-F242 HydrophobicContact CB-CD1 3.92Å; A237-F242 HydrophobicContact CB-CE1 3.9Å; A237-F284 HydrophobicContact CB-CD2 3.82Å; A237-F284 HydrophobicContact CB-CE1 3.92Å; A237-F284 HydrophobicContact CB-CE2 3.14Å; A237-F284 HydrophobicContact CB-CG 4.45Å; A237-F284 HydrophobicContact CB-CZ 3.16Å
238S75.2Confident69.4Low82 Ų8270 Ų7057%0.57342%0.419SS*.THydrogen-bonded Turntrans-71.4-21.3172.377.60000112.5A234 A235 L236 Q243A234-S238 PolarHBondContact O-N 3.21Å; A235-S238 WeakPolarHBondContact O-CB 3.42Å; A235-S238 PolarHBondContact O-N 2.95Å; A235-S238 PolarHBondContact O-OG 2.81Å; L236-S238 PolarHBondContact O-N 2.76Å; S238-Q243 PolarHBondContact O-NE2 2.82Å
239L81.4Confident71.4Confident76 Ų7666.4 Ų66.440%0.39838%0.381SS..SBendtrans-69.8140.7179.7-82.784.9000111.9A235 L236 A237 Q241 F242 Q243A235-L239 WeakPolarHBondContact O-CD1 3.32Å; L236-L239 WeakPolarHBondContact O-CB 3.22Å; L236-L239 PolarHBondContact O-N 2.82Å; A237-L239 VanDerWaalsContact C-N 3.26Å; L239-Q241 VanDerWaalsContact C-N 3.25Å; L239-Q241 PolarHBondContact O-N 2.93Å; L239-F242 PolarHBondContact O-N 3.44Å; L239-F242 VanDerWaalsContact O-N 3.08Å; L239-Q243 PolarHBondContact O-N 2.86Å
240P78.8Confident73.3Confident103 Ų10366.6 Ų66.667%0.66937%0.372SS*.Hα-helixtrans-62.5-30.2-178.123.6-33.5000113.3Q243 Q244P240-Q243 PolarHBondContact O-N 3.15Å; P240-Q244 PolarHBondContact O-N 2.7Å
241Q78Confident74.9Confident111 Ų11160.6 Ų60.652%0.51936%0.356SS..Hα-helixtrans-62.7-41.9175.2-71.5168.3-23.200111.6L239 Q244 M245L239-Q241 VanDerWaalsContact C-N 3.25Å; L239-Q241 PolarHBondContact O-N 2.93Å; Q241-Q244 PolarHBondContact O-N 2.97Å; Q241-M245 VanDerWaalsContact O-CG 3.27Å; Q241-M245 WeakPolarHBondContact O-CG 3.33Å; Q241-M245 PolarHBondContact O-N 3.24Å
242F74.7Confident76Confident6 Ų660.2 Ų60.23%0.02635%0.354CS..Hα-helixtrans-73.6-32.5-179.4-159.7-101.7000112.5I233 L236 A237 L239 M245 R246 F281 F284I233-F242 HydrophobicContact CG2-CE1 4.39Å; I233-F242 HydrophobicContact CG2-CZ 4.06Å; L236-F242 HydrophobicContact CD2-CD2 4.21Å; L236-F242 HydrophobicContact CD2-CE2 4.3Å; L236-F242 VanDerWaalsContact O-CB 3.31Å; L236-F242 WeakPolarHBondContact O-CB 3.45Å; A237-F242 VanDerWaalsContact CA-CD1 3.42Å; A237-F242 HydrophobicContact CB-CD1 3.92Å; A237-F242 HydrophobicContact CB-CE1 3.9Å; L239-F242 PolarHBondContact O-N 3.44Å; L239-F242 VanDerWaalsContact O-N 3.08Å; F242-M245 HydrophobicContact CB-CE 4.17Å; F242-M245 HydrophobicContact CD2-CE 3.69Å; F242-M245 HydrophobicContact CG-CE 4.3Å; F242-M245 PolarHBondContact O-N 2.88Å; F242-R246 WeakPolarHBondContact O-CB 3.44Å; F242-R246 PolarHBondContact O-N 3.06Å; F242-F281 AromaticContact CE2-CD2 3.5Å; F242-F281 HydrophobicContact CE2-CD2 3.5Å; F242-F281 AromaticContact CE2-CE2 3.61Å; F242-F281 HydrophobicContact CE2-CE2 3.61Å; F242-F281 AromaticContact CZ-CD2 3.58Å; F242-F281 HydrophobicContact CZ-CD2 3.58Å; F242-F281 HydrophobicContact CZ-CE2 4.03Å; F242-F284 AromaticContact CD1-CD1 3.68Å; F242-F284 HydrophobicContact CD1-CD1 3.68Å; F242-F284 AromaticContact CD1-CE1 3.29Å; F242-F284 HydrophobicContact CD1-CE1 3.29Å; F242-F284 AromaticContact CD1-CZ 3.99Å; F242-F284 HydrophobicContact CD1-CZ 3.99Å; F242-F284 HydrophobicContact CE1-CB 4.33Å; F242-F284 AromaticContact CE1-CD1 3.02Å; F242-F284 HydrophobicContact CE1-CD1 3.02Å; F242-F284 HydrophobicContact CE1-CD2 4.36Å; F242-F284 AromaticContact CE1-CE1 3.16Å; F242-F284 HydrophobicContact CE1-CE1 3.16Å; F242-F284 AromaticContact CE1-CG 3.64Å; F242-F284 HydrophobicContact CE1-CG 3.64Å; F242-F284 AromaticContact CE1-CZ 3.94Å; F242-F284 HydrophobicContact CE1-CZ 3.94Å; F242-F284 AromaticContact CZ-CD1 3.9Å; F242-F284 HydrophobicContact CZ-CD1 3.9Å; F242-F284 HydrophobicContact CZ-CE1 4.37Å; F242-F284 HydrophobicContact CZ-CG 4.36Å
243Q81.5Confident76.8Confident90 Ų9062 Ų6242%0.42137%0.366SS..Hα-helixtrans-66-40.1171.3-64.1-176.641.100112.1S238 L239 P240 R246 A247S238-Q243 PolarHBondContact O-NE2 2.82Å; L239-Q243 PolarHBondContact O-N 2.86Å; P240-Q243 PolarHBondContact O-N 3.15Å; Q243-R246 PolarHBondContact O-N 3.08Å; Q243-A247 WeakPolarHBondContact O-CB 3.46Å; Q243-A247 PolarHBondContact O-N 3.24Å
244Q79.7Confident77.9Confident136 Ų13670.2 Ų70.264%0.63640%0.404SS*.Hα-helixtrans-64.9-43.3174.4-173.666.511.200111.5P240 Q241 A247 L248P240-Q244 PolarHBondContact O-N 2.7Å; Q241-Q244 PolarHBondContact O-N 2.97Å; Q244-A247 PolarHBondContact O-N 2.87Å; Q244-L248 WeakPolarHBondContact O-CB 3.23Å; Q244-L248 PolarHBondContact O-N 3.13Å
245M72.1Confident78.6Confident26 Ų2670.2 Ų70.213%0.12840%0.395CS..Hα-helixtrans-62.2-45175.7-74.2-173.2-62.300111.5Q241 F242 A247 L248 V249 L259 I263Q241-M245 VanDerWaalsContact O-CG 3.27Å; Q241-M245 WeakPolarHBondContact O-CG 3.33Å; Q241-M245 PolarHBondContact O-N 3.24Å; F242-M245 HydrophobicContact CB-CE 4.17Å; F242-M245 HydrophobicContact CD2-CE 3.69Å; F242-M245 HydrophobicContact CG-CE 4.3Å; F242-M245 PolarHBondContact O-N 2.88Å; M245-A247 PolarHBondContact O-N 3.19Å; M245-L248 PolarHBondContact O-N 2.91Å; M245-V249 WeakPolarHBondContact O-CB 3.47Å; M245-V249 VanDerWaalsContact O-CG2 3.24Å; M245-V249 WeakPolarHBondContact O-CG2 3.2Å; M245-V249 PolarHBondContact O-N 3.35Å; M245-L259 HydrophobicContact CB-CD2 3.95Å; M245-L259 HydrophobicContact CG-CD1 4.15Å; M245-L259 HydrophobicContact CG-CD2 3.96Å; M245-L259 HydrophobicContact SD-CD1 4.19Å; M245-L259 HydrophobicContact SD-CD2 4.27Å; M245-L259 HydrophobicContact SD-CG 4.44Å; M245-I263 HydrophobicContact CE-CD1 4.44Å; M245-I263 HydrophobicContact SD-CD1 3.46Å; M245-I263 WeakPolarHBondContact SD-CD1 3.46Å; M245-I263 HydrophobicContact SD-CG1 3.8Å
246R80.1Confident78.9Confident30 Ų3068.8 Ų68.811%0.11338%0.378CS..Hα-helixtrans-59.2-46.5173.9179.6-178.260.9-163.3-6.6111.2F242 Q243 L248 V249 Q250 F284F242-R246 WeakPolarHBondContact O-CB 3.44Å; F242-R246 PolarHBondContact O-N 3.06Å; Q243-R246 PolarHBondContact O-N 3.08Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.3Å; R246-V249 PolarHBondContact O-N 2.79Å; R246-Q250 HydrophobicContact CG-CG 4.11Å; R246-Q250 VanDerWaalsContact CG-NE2 3.34Å; R246-Q250 WeakPolarHBondContact O-CB 3.45Å; R246-Q250 WeakPolarHBondContact O-CG 3.21Å; R246-Q250 PolarHBondContact O-N 3.02Å; R246-F284 HydrophobicContact CB-CE1 4.32Å; R246-F284 HydrophobicContact CG-CE1 4.4Å
247A82.5Confident79.5Confident48 Ų4871.5 Ų71.540%0.39740%0.398SS..Hα-helixtrans-61.3-41178.300000111.9Q243 Q244 M245 A251Q243-A247 WeakPolarHBondContact O-CB 3.46Å; Q243-A247 PolarHBondContact O-N 3.24Å; Q244-A247 PolarHBondContact O-N 2.87Å; M245-A247 PolarHBondContact O-N 3.19Å; A247-A251 WeakPolarHBondContact O-CB 3.26Å; A247-A251 PolarHBondContact O-N 3.42Å
248L80.2Confident80.3Confident78 Ų7877 Ų7741%0.40842%0.422SS..Hα-helixtrans-69.1-41.2178.6-170.370.4000112.3Q244 M245 R246 A251 N252 L255Q244-L248 WeakPolarHBondContact O-CB 3.23Å; Q244-L248 PolarHBondContact O-N 3.13Å; M245-L248 PolarHBondContact O-N 2.91Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.3Å; L248-A251 PolarHBondContact O-N 3.04Å; L248-N252 PolarHBondContact O-N 3.05Å; L248-L255 HydrophobicContact CD1-CD1 4.14Å; L248-L255 HydrophobicContact CD2-CD1 4.2Å; L248-L255 HydrophobicContact CG-CD1 3.98Å
249V77.6Confident80.4Confident4 Ų473.7 Ų73.72%0.02440%0.398CS..Hα-helixtrans-72.5-34.8177.7176.30000111.5M245 R246 A251 N252 P253 L256 L259 I285M245-V249 WeakPolarHBondContact O-CB 3.47Å; M245-V249 VanDerWaalsContact O-CG2 3.24Å; M245-V249 WeakPolarHBondContact O-CG2 3.2Å; M245-V249 PolarHBondContact O-N 3.35Å; R246-V249 PolarHBondContact O-N 2.79Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-N252 CarbonylContact O-C 3.51Å; V249-N252 PolarHBondContact O-N 2.99Å; V249-P253 WeakPolarHBondContact O-CA 3.46Å; V249-P253 VanDerWaalsContact O-N 3.15Å; V249-L256 HydrophobicContact CG1-CD1 3.95Å; V249-L256 HydrophobicContact CG1-CD2 4.21Å; V249-L256 HydrophobicContact CG1-CG 3.63Å; V249-L256 HydrophobicContact CG2-CD2 4.33Å; V249-L256 HydrophobicContact CG2-CG 4.28Å; V249-L259 HydrophobicContact CG2-CD2 3.46Å; V249-L259 VanDerWaalsContact CG2-CD2 3.46Å; V249-I285 HydrophobicContact CB-CD1 4.26Å; V249-I285 HydrophobicContact CB-CG2 4.06Å; V249-I285 HydrophobicContact CG1-CD1 4.06Å; V249-I285 HydrophobicContact CG1-CG2 3.36Å; V249-I285 HydrophobicContact CG2-CD1 4.21Å
250Q83Confident80.3Confident96 Ų9672.9 Ų72.945%0.44939%0.394SS..Hα-helixtrans-66.6-36.7172.3-76.5177.8-7.100111.7R246 I285R246-Q250 HydrophobicContact CG-CG 4.11Å; R246-Q250 VanDerWaalsContact CG-NE2 3.34Å; R246-Q250 WeakPolarHBondContact O-CB 3.45Å; R246-Q250 WeakPolarHBondContact O-CG 3.21Å; R246-Q250 PolarHBondContact O-N 3.02Å; Q250-I285 PolarHBondContact NE2-O 2.97Å; Q250-I285 VanDerWaalsContact NE2-O 3.13Å
251A84.8Confident80.5Confident69 Ų6973.6 Ų73.657%0.5739%0.388SS*.Hα-helixtrans-69.8-44.4172.800000111.7A247 L248 V249A247-A251 WeakPolarHBondContact O-CB 3.26Å; A247-A251 PolarHBondContact O-N 3.42Å; L248-A251 PolarHBondContact O-N 3.04Å; V249-A251 VanDerWaalsContact C-N 3.34Å
252N83.1Confident80.8Confident86 Ų8673.8 Ų73.846%0.4639%0.389SS..  trans-134.392.3-175.1-76-2.4000111.2L248 V249 E254 L255L248-N252 PolarHBondContact O-N 3.05Å; V249-N252 CarbonylContact O-C 3.51Å; V249-N252 PolarHBondContact O-N 2.99Å; N252-E254 PolarHBondContact O-N 3.25Å; N252-L255 HydrophobicContact CB-CB 4.3Å; N252-L255 HydrophobicContact CB-CD1 3.67Å; N252-L255 HydrophobicContact CB-CG 3.74Å; N252-L255 PolarHBondContact O-N 3.34Å; N252-L255 VanDerWaalsContact O-N 3.07Å
253P80.5Confident80.9Confident92 Ų9273.8 Ų73.860%0.59739%0.389SS*.G310 helixtrans-64.9-20.6177.725.7-34.4000112.9V249 L255 L256V249-P253 WeakPolarHBondContact O-CA 3.46Å; V249-P253 VanDerWaalsContact O-N 3.15Å; P253-L255 PolarHBondContact O-N 2.94Å; P253-L256 PolarHBondContact O-N 3.17Å
254E87.2Confident80.9Confident178 Ų17870.7 Ų70.783%0.83238%0.381SS*.G310 helixtrans-72.9-14175.6-61.8-161.7103.100113.7N252 P257N252-E254 PolarHBondContact O-N 3.25Å; E254-P257 WeakPolarHBondContact O-CD 3.45Å
255L84.3Confident81.2Confident59 Ų5970.8 Ų70.831%0.30939%0.386SS..G310 helixtrans-82.9-11176.9-68.2-179.7000113.1L248 N252 P253 Q258 L259L248-L255 HydrophobicContact CD1-CD1 4.14Å; L248-L255 HydrophobicContact CD2-CD1 4.2Å; L248-L255 HydrophobicContact CG-CD1 3.98Å; N252-L255 HydrophobicContact CB-CB 4.3Å; N252-L255 HydrophobicContact CB-CD1 3.67Å; N252-L255 HydrophobicContact CB-CG 3.74Å; N252-L255 PolarHBondContact O-N 3.34Å; N252-L255 VanDerWaalsContact O-N 3.07Å; P253-L255 PolarHBondContact O-N 2.94Å; L255-Q258 CarbonylContact O-C 3.47Å; L255-Q258 WeakPolarHBondContact O-CB 3.35Å; L255-Q258 PolarHBondContact O-N 2.95Å; L255-Q258 VanDerWaalsContact O-N 3.08Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.47Å; L255-L259 PolarHBondContact O-N 3.35Å
256L78.2Confident81.7Confident32 Ų3275.2 Ų75.217%0.16841%0.41CS..Hα-helixtrans-47.3-52.8177.6-104.7171.5000114V249 P253 Q258 L259 I260 F281 L282 I285V249-L256 HydrophobicContact CG1-CD1 3.95Å; V249-L256 HydrophobicContact CG1-CD2 4.21Å; V249-L256 HydrophobicContact CG1-CG 3.63Å; V249-L256 HydrophobicContact CG2-CD2 4.33Å; V249-L256 HydrophobicContact CG2-CG 4.28Å; P253-L256 PolarHBondContact O-N 3.17Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.99Å; L256-L259 PolarHBondContact O-N 3.38Å; L256-I260 HydrophobicContact CD2-CD1 4.22Å; L256-I260 VanDerWaalsContact O-CG1 3.3Å; L256-I260 WeakPolarHBondContact O-CG1 3.28Å; L256-I260 PolarHBondContact O-N 2.93Å; L256-F281 HydrophobicContact CD2-CE1 3.61Å; L256-F281 HydrophobicContact CD2-CZ 4.2Å; L256-L282 HydrophobicContact CD1-CD2 4.3Å; L256-I285 HydrophobicContact CD2-CD1 4.13Å
257P80.2Confident81.7Confident90 Ų9076.3 Ų76.358%0.58442%0.418SS*.Hα-helixtrans-64.7-36.6-179.923.6-34.1000112.7E254 Q261E254-P257 WeakPolarHBondContact O-CD 3.45Å; P257-Q261 PolarHBondContact O-N 3.28Å
258Q83Confident81.8Confident124 Ų12477.4 Ų77.458%0.57943%0.428SS*.Hα-helixtrans-66-42.7175.2-104.3-72.4-55.100111.3L255 L256 Q261 Q262L255-Q258 CarbonylContact O-C 3.47Å; L255-Q258 WeakPolarHBondContact O-CB 3.35Å; L255-Q258 PolarHBondContact O-N 2.95Å; L255-Q258 VanDerWaalsContact O-N 3.08Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.99Å; Q258-Q261 PolarHBondContact O-N 3.36Å; Q258-Q262 WeakPolarHBondContact O-CB 3.36Å; Q258-Q262 PolarHBondContact O-N 3.36Å
259L78.3Confident81.9Confident14 Ų1480.1 Ų80.17%0.07344%0.442CS..Hα-helixtrans-69.4-41.9-178.2-175.264.2000111.4M245 V249 L255 L256 Q261 Q262 I263M245-L259 HydrophobicContact CB-CD2 3.95Å; M245-L259 HydrophobicContact CG-CD1 4.15Å; M245-L259 HydrophobicContact CG-CD2 3.96Å; M245-L259 HydrophobicContact SD-CD1 4.19Å; M245-L259 HydrophobicContact SD-CD2 4.27Å; M245-L259 HydrophobicContact SD-CG 4.44Å; V249-L259 HydrophobicContact CG2-CD2 3.46Å; V249-L259 VanDerWaalsContact CG2-CD2 3.46Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.47Å; L255-L259 PolarHBondContact O-N 3.35Å; L256-L259 PolarHBondContact O-N 3.38Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 2.81Å; L259-Q262 PolarHBondContact O-N 2.79Å; L259-I263 HydrophobicContact CD1-CD1 4.25Å; L259-I263 HydrophobicContact CD1-CG1 4.25Å; L259-I263 HydrophobicContact CD2-CD1 4.38Å; L259-I263 HydrophobicContact CG-CD1 3.77Å; L259-I263 HydrophobicContact CG-CG1 4.25Å; L259-I263 WeakPolarHBondContact O-CB 3.3Å; L259-I263 WeakPolarHBondContact O-CD1 3.33Å; L259-I263 WeakPolarHBondContact O-CG1 3.26Å; L259-I263 PolarHBondContact O-N 3.4Å
260I79.4Confident81.9Confident59 Ų5981.1 Ų81.130%0.30345%0.447SS..Hα-helixtrans-58.9-41.4173.9-70165000110.4L256 G264 F271L256-I260 HydrophobicContact CD2-CD1 4.22Å; L256-I260 VanDerWaalsContact O-CG1 3.3Å; L256-I260 WeakPolarHBondContact O-CG1 3.28Å; L256-I260 PolarHBondContact O-N 2.93Å; I260-G264 PolarHBondContact O-N 3.02Å; I260-F271 HydrophobicContact CG2-CD2 4.49Å; I260-F271 HydrophobicContact CG2-CE2 4.15Å
261Q83Confident81.9Confident118 Ų11880.3 Ų80.355%0.55144%0.443SS*.Hα-helixtrans-67.2-40.1176.9-163.571.574.600112P257 Q258 L259 G264 N265P257-Q261 PolarHBondContact O-N 3.28Å; Q258-Q261 PolarHBondContact O-N 3.36Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 2.81Å; Q261-G264 PolarHBondContact O-N 3.45Å; Q261-N265 PolarHBondContact O-N 3.12Å; Q261-N265 VanDerWaalsContact O-N 3.16Å; Q261-N265 PolarHBondContact O-ND2 3.36Å
262Q83.2Confident81.9Confident114 Ų11485 Ų8553%0.53345%0.445SS..Hα-helixtrans-68-42.1177.2-174.4173.4-26.400111.7Q258 L259 G264 N265 D266Q258-Q262 WeakPolarHBondContact O-CB 3.36Å; Q258-Q262 PolarHBondContact O-N 3.36Å; L259-Q262 PolarHBondContact O-N 2.79Å; Q262-G264 VanDerWaalsContact C-N 3.33Å; Q262-N265 PolarHBondContact O-N 3.16Å; Q262-N265 VanDerWaalsContact O-N 3.12Å; Q262-D266 WeakPolarHBondContact O-CB 3.27Å; Q262-D266 PolarHBondContact O-N 2.99Å
263I76.6Confident81.6Confident7 Ų782.1 Ų82.14%0.03643%0.43CS..Hα-helixtrans-63.2-42174.3-65.9162.8000110M245 L259 N265 D266 N267 L270 I274M245-I263 HydrophobicContact CE-CD1 4.44Å; M245-I263 HydrophobicContact SD-CD1 3.46Å; M245-I263 WeakPolarHBondContact SD-CD1 3.46Å; M245-I263 HydrophobicContact SD-CG1 3.8Å; L259-I263 HydrophobicContact CD1-CD1 4.25Å; L259-I263 HydrophobicContact CD1-CG1 4.25Å; L259-I263 HydrophobicContact CD2-CD1 4.38Å; L259-I263 HydrophobicContact CG-CD1 3.77Å; L259-I263 HydrophobicContact CG-CG1 4.25Å; L259-I263 WeakPolarHBondContact O-CB 3.3Å; L259-I263 WeakPolarHBondContact O-CD1 3.33Å; L259-I263 WeakPolarHBondContact O-CG1 3.26Å; L259-I263 PolarHBondContact O-N 3.4Å; I263-N265 PolarHBondContact O-N 2.87Å; I263-D266 PolarHBondContact O-N 3.17Å; I263-N267 CarbonylContact O-C 3.27Å; I263-N267 VanDerWaalsContact O-C 3.27Å; I263-N267 WeakPolarHBondContact O-CA 3.39Å; I263-N267 PolarHBondContact O-N 2.86Å; I263-L270 HydrophobicContact CG2-CB 3.51Å; I263-L270 HydrophobicContact CG2-CD1 4.35Å; I263-I274 HydrophobicContact CB-CD1 4.49Å; I263-I274 HydrophobicContact CD1-CD1 3.68Å; I263-I274 HydrophobicContact CG2-CD1 3.84Å
264G82.3Confident81.5Confident25 Ų2578.1 Ų78.126%0.25840%0.404SS..Hα-helixtrans-55.5-34.7172.600000113.8I260 Q261 Q262I260-G264 PolarHBondContact O-N 3.02Å; Q261-G264 PolarHBondContact O-N 3.45Å; Q262-G264 VanDerWaalsContact C-N 3.33Å
265N86.2Confident81.4Confident137 Ų13775.4 Ų75.473%0.73339%0.391SS*.Hα-helixtrans-83.6-35.2178.4-71.7-26.2000113.6Q261 Q262 I263Q261-N265 PolarHBondContact O-N 3.12Å; Q261-N265 VanDerWaalsContact O-N 3.16Å; Q261-N265 PolarHBondContact O-ND2 3.36Å; Q262-N265 PolarHBondContact O-N 3.16Å; Q262-N265 VanDerWaalsContact O-N 3.12Å; I263-N265 PolarHBondContact O-N 2.87Å
266D82.6Confident81.5Confident120 Ų12078.6 Ų78.664%0.64240%0.404SS*.Hα-helixtrans-91.4-34.5-172.7-158.9-103.7000112.2Q262 I263Q262-D266 WeakPolarHBondContact O-CB 3.27Å; Q262-D266 PolarHBondContact O-N 2.99Å; I263-D266 PolarHBondContact O-N 3.17Å
267N79.3Confident81.6Confident52 Ų5278.6 Ų78.628%0.27840%0.404SS..  trans-145.395.6-174-76-86.9000112.1I263 D269 L270 F271I263-N267 CarbonylContact O-C 3.27Å; I263-N267 VanDerWaalsContact O-C 3.27Å; I263-N267 WeakPolarHBondContact O-CA 3.39Å; I263-N267 PolarHBondContact O-N 2.86Å; N267-D269 VanDerWaalsContact C-N 3.29Å; N267-D269 PolarHBondContact O-N 3.19Å; N267-L270 HydrophobicContact CB-CB 3.75Å; N267-L270 HydrophobicContact CB-CD1 3.64Å; N267-L270 HydrophobicContact CB-CG 3.68Å; N267-L270 PolarHBondContact O-N 2.95Å; N267-F271 PolarHBondContact O-N 3.23Å
268A84.4Confident81.6Confident72 Ų7280 Ų8060%0.59540%0.403SS*.Hα-helixtrans-61.6-34.5176.900000113.2F271 R272A268-F271 PolarHBondContact O-N 2.9Å; A268-R272 PolarHBondContact O-N 2.74Å
269D83.3Confident81.3Confident134 Ų13482.2 Ų82.272%0.71741%0.413SS*.Hα-helixtrans-67.2-43.2176.8-66.8-77.3000112.2N267 F271 R272 L273N267-D269 VanDerWaalsContact C-N 3.29Å; N267-D269 PolarHBondContact O-N 3.19Å; D269-F271 VanDerWaalsContact C-N 3.33Å; D269-F271 PolarHBondContact O-N 3.12Å; D269-R272 PolarHBondContact O-N 3.05Å; D269-L273 WeakPolarHBondContact O-CB 3.04Å; D269-L273 PolarHBondContact O-N 2.8Å
270L76.2Confident81Confident25 Ų2583 Ų8313%0.13142%0.422CS..Hα-helixtrans-64.1-40.5174.3-67.3-176.2000110.9L236 I263 N267 L273 I274L236-L270 HydrophobicContact CD1-CD2 4.14Å; L236-L270 HydrophobicContact CD2-CD2 3.24Å; L236-L270 HydrophobicContact CG-CD2 3.94Å; I263-L270 HydrophobicContact CG2-CB 3.51Å; I263-L270 HydrophobicContact CG2-CD1 4.35Å; N267-L270 HydrophobicContact CB-CB 3.75Å; N267-L270 HydrophobicContact CB-CD1 3.64Å; N267-L270 HydrophobicContact CB-CG 3.68Å; N267-L270 PolarHBondContact O-N 2.95Å; L270-L273 PolarHBondContact O-N 3.38Å; L270-I274 WeakPolarHBondContact O-CB 2.96Å; L270-I274 WeakPolarHBondContact O-CD1 3.15Å; L270-I274 WeakPolarHBondContact O-CG1 3.14Å; L270-I274 PolarHBondContact O-N 2.87Å
271F83.5Confident80.8Confident79 Ų7980.4 Ų80.435%0.34641%0.408SS..Hα-helixtrans-62.8-44.1177.1-179.5-98.3000112.3I260 N267 A268 D269 L273 I274 Q275I260-F271 HydrophobicContact CG2-CD2 4.49Å; I260-F271 HydrophobicContact CG2-CE2 4.15Å; N267-F271 PolarHBondContact O-N 3.23Å; A268-F271 PolarHBondContact O-N 2.9Å; D269-F271 VanDerWaalsContact C-N 3.33Å; D269-F271 PolarHBondContact O-N 3.12Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 2.93Å; F271-I274 PolarHBondContact O-N 3.22Å; F271-Q275 VanDerWaalsContact O-CB 3.31Å; F271-Q275 WeakPolarHBondContact O-CB 3.4Å; F271-Q275 PolarHBondContact O-N 3.39Å
272R85.6Confident80.5Confident167 Ų16778.8 Ų78.863%0.6340%0.403SS*.Hα-helixtrans-62.1-42.9174.6-177.9179.7163.4129.92.6111.1A268 D269 Q275 E276A268-R272 PolarHBondContact O-N 2.74Å; D269-R272 PolarHBondContact O-N 3.05Å; R272-Q275 PolarHBondContact O-N 3.26Å; R272-E276 VanDerWaalsContact O-CB 3.3Å; R272-E276 WeakPolarHBondContact O-CB 3.24Å; R272-E276 PolarHBondContact O-N 3.21Å
273L77.1Confident80.1Confident27 Ų2780.1 Ų80.114%0.14141%0.409CS..Hα-helixtrans-69.2-38.3-179.6-166.672.6000112.3P232 I233 L236 D269 L270 F271 E276 N277P232-L273 HydrophobicContact CB-CD1 3.93Å; P232-L273 HydrophobicContact CB-CD2 4.43Å; P232-L273 HydrophobicContact CG-CD1 3.91Å; I233-L273 HydrophobicContact CD1-CD2 3.86Å; I233-L273 HydrophobicContact CD1-CG 3.93Å; L236-L273 HydrophobicContact CB-CD2 4.49Å; L236-L273 HydrophobicContact CD1-CD2 3.66Å; L236-L273 HydrophobicContact CD2-CD2 3.6Å; L236-L273 HydrophobicContact CG-CD2 4.11Å; D269-L273 WeakPolarHBondContact O-CB 3.04Å; D269-L273 PolarHBondContact O-N 2.8Å; L270-L273 PolarHBondContact O-N 3.38Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 2.93Å; L273-E276 PolarHBondContact O-N 3.02Å; L273-N277 VanDerWaalsContact CD1-ND2 3.33Å; L273-N277 WeakPolarHBondContact CD1-ND2 3.33Å; L273-N277 VanDerWaalsContact O-CB 3.23Å; L273-N277 WeakPolarHBondContact O-CB 3.13Å; L273-N277 PolarHBondContact O-N 3.31Å; L273-N277 PolarHBondContact O-ND2 2.83Å
274I78.6Confident80Confident8 Ų881.7 Ų81.74%0.04142%0.416CS..Hα-helixtrans-64.6-42.5173.2-70.1164.2000109.8I263 L270 F271 E276 N277 E278 F281I263-I274 HydrophobicContact CB-CD1 4.49Å; I263-I274 HydrophobicContact CD1-CD1 3.68Å; I263-I274 HydrophobicContact CG2-CD1 3.84Å; L270-I274 WeakPolarHBondContact O-CB 2.96Å; L270-I274 WeakPolarHBondContact O-CD1 3.15Å; L270-I274 WeakPolarHBondContact O-CG1 3.14Å; L270-I274 PolarHBondContact O-N 2.87Å; F271-I274 PolarHBondContact O-N 3.22Å; I274-E276 VanDerWaalsContact C-N 3.34Å; I274-N277 CarbonylContact O-C 3.48Å; I274-N277 PolarHBondContact O-N 3.45Å; I274-E278 WeakPolarHBondContact O-CA 3.38Å; I274-E278 WeakPolarHBondContact O-CG 3.46Å; I274-E278 PolarHBondContact O-N 2.78Å; I274-F281 HydrophobicContact CD1-CE2 4.2Å; I274-F281 HydrophobicContact CD1-CZ 4.37Å; I274-F281 HydrophobicContact CG1-CD2 4.12Å; I274-F281 HydrophobicContact CG1-CE2 4.3Å; I274-F281 HydrophobicContact CG1-CG 4.38Å; I274-F281 HydrophobicContact CG2-CD1 4.1Å; I274-F281 HydrophobicContact CG2-CE1 4.37Å; I274-F281 HydrophobicContact CG2-CG 4.29Å
275Q84.1Confident79.6Confident121 Ų12180.9 Ų80.957%0.56541%0.406SS*.Hα-helixtrans-65.4-37.9176.6-170.4-178.324.600112.2F271 R272 N277F271-Q275 VanDerWaalsContact O-CB 3.31Å; F271-Q275 WeakPolarHBondContact O-CB 3.4Å; F271-Q275 PolarHBondContact O-N 3.39Å; R272-Q275 PolarHBondContact O-N 3.26Å; Q275-N277 VanDerWaalsContact C-N 3.32Å
276E86.5Confident78.8Confident125 Ų12580.2 Ų80.258%0.58440%0.402SS*.Hα-helixtrans-73.3-27.1176.7-164.617191.100111.8R272 L273 I274R272-E276 VanDerWaalsContact O-CB 3.3Å; R272-E276 WeakPolarHBondContact O-CB 3.24Å; R272-E276 PolarHBondContact O-N 3.21Å; L273-E276 PolarHBondContact O-N 3.02Å; I274-E276 VanDerWaalsContact C-N 3.34Å
277N79.5Confident78Confident32 Ų3277.3 Ų77.317%0.17139%0.389CS..THydrogen-bonded Turntrans-129.441.5-173.4-57.7-81.8000112.6I233 L273 I274 Q275 Q279 A280 F281I233-N277 HydrophobicContact CD1-CB 3.89Å; I233-N277 HydrophobicContact CG1-CB 3.52Å; L273-N277 VanDerWaalsContact CD1-ND2 3.33Å; L273-N277 WeakPolarHBondContact CD1-ND2 3.33Å; L273-N277 VanDerWaalsContact O-CB 3.23Å; L273-N277 WeakPolarHBondContact O-CB 3.13Å; L273-N277 PolarHBondContact O-N 3.31Å; L273-N277 PolarHBondContact O-ND2 2.83Å; I274-N277 CarbonylContact O-C 3.48Å; I274-N277 PolarHBondContact O-N 3.45Å; Q275-N277 VanDerWaalsContact C-N 3.32Å; N277-Q279 PolarHBondContact O-N 3.4Å; N277-A280 HydrophobicContact CB-CB 4.14Å; N277-A280 PolarHBondContact O-N 2.87Å; N277-A280 VanDerWaalsContact O-N 3.1Å; N277-F281 WeakPolarHBondContact O-CB 3.47Å; N277-F281 PolarHBondContact O-N 2.68Å
278E80Confident76.9Confident120 Ų12078.9 Ų78.956%0.56140%0.402SS*.Hα-helixtrans-58-37.8-175.5-69.4-176.391.600111.3I274 L282I274-E278 WeakPolarHBondContact O-CA 3.38Å; I274-E278 WeakPolarHBondContact O-CG 3.46Å; I274-E278 PolarHBondContact O-N 2.78Å; E278-L282 WeakPolarHBondContact O-CB 3.31Å; E278-L282 VanDerWaalsContact O-CG 3.29Å; E278-L282 WeakPolarHBondContact O-CG 3.22Å; E278-L282 PolarHBondContact O-N 2.81Å
279Q77.4Confident75.5Confident170 Ų17080.3 Ų80.379%0.79440%0.403SS*.Hα-helixtrans-69.3-43.8178.4-64.2-177-12.100111.9N277 F281 L282 E283N277-Q279 PolarHBondContact O-N 3.4Å; Q279-F281 VanDerWaalsContact C-N 3.34Å; Q279-L282 PolarHBondContact O-N 2.95Å; Q279-E283 VanDerWaalsContact O-CB 3.26Å; Q279-E283 WeakPolarHBondContact O-CB 3.26Å; Q279-E283 PolarHBondContact O-N 2.99Å
280A71.4Confident73.6Confident30 Ų3079.2 Ų79.225%0.24840%0.402CS..Hα-helixtrans-70-32.917800000111.6I233 N277 F284I233-A280 HydrophobicContact CB-CB 4.32Å; I233-A280 HydrophobicContact CG1-CB 4.11Å; I233-A280 HydrophobicContact CG2-CB 4.35Å; N277-A280 HydrophobicContact CB-CB 4.14Å; N277-A280 PolarHBondContact O-N 2.87Å; N277-A280 VanDerWaalsContact O-N 3.1Å; A280-F284 WeakPolarHBondContact O-CB 3.43Å; A280-F284 PolarHBondContact O-N 3Å
281F76.2Confident72Confident5 Ų581.2 Ų81.22%0.02243%0.428CS..Hα-helixtrans-65.6-45.9171.3176.9-107.3000111.8F242 L256 I274 N277 Q279 F284 I285F242-F281 AromaticContact CE2-CD2 3.5Å; F242-F281 HydrophobicContact CE2-CD2 3.5Å; F242-F281 AromaticContact CE2-CE2 3.61Å; F242-F281 HydrophobicContact CE2-CE2 3.61Å; F242-F281 AromaticContact CZ-CD2 3.58Å; F242-F281 HydrophobicContact CZ-CD2 3.58Å; F242-F281 HydrophobicContact CZ-CE2 4.03Å; L256-F281 HydrophobicContact CD2-CE1 3.61Å; L256-F281 HydrophobicContact CD2-CZ 4.2Å; I274-F281 HydrophobicContact CD1-CE2 4.2Å; I274-F281 HydrophobicContact CD1-CZ 4.37Å; I274-F281 HydrophobicContact CG1-CD2 4.12Å; I274-F281 HydrophobicContact CG1-CE2 4.3Å; I274-F281 HydrophobicContact CG1-CG 4.38Å; I274-F281 HydrophobicContact CG2-CD1 4.1Å; I274-F281 HydrophobicContact CG2-CE1 4.37Å; I274-F281 HydrophobicContact CG2-CG 4.29Å; N277-F281 WeakPolarHBondContact O-CB 3.47Å; N277-F281 PolarHBondContact O-N 2.68Å; Q279-F281 VanDerWaalsContact C-N 3.34Å; F281-F284 PolarHBondContact O-N 3.42Å; F281-I285 HydrophobicContact CD1-CD1 3.87Å; F281-I285 HydrophobicContact CD2-CD1 4Å; F281-I285 HydrophobicContact CD2-CG1 4.45Å; F281-I285 HydrophobicContact CE1-CD1 3.34Å; F281-I285 HydrophobicContact CE2-CD1 3.48Å; F281-I285 VanDerWaalsContact CE2-CD1 3.48Å; F281-I285 HydrophobicContact CE2-CG1 4.24Å; F281-I285 HydrophobicContact CG-CD1 4.19Å; F281-I285 HydrophobicContact CZ-CD1 3.14Å; F281-I285 HydrophobicContact CZ-CG1 4.32Å; F281-I285 WeakPolarHBondContact O-CB 3.42Å; F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.21Å; F281-I285 PolarHBondContact O-N 3.03Å
282L76.7Confident69.8Low84 Ų8483.2 Ų83.244%0.4445%0.447SS..Hα-helixtrans-64.9-42.5176.1-78.8170.2000112L256 E278 Q279 I285 N286L256-L282 HydrophobicContact CD1-CD2 4.3Å; E278-L282 WeakPolarHBondContact O-CB 3.31Å; E278-L282 VanDerWaalsContact O-CG 3.29Å; E278-L282 WeakPolarHBondContact O-CG 3.22Å; E278-L282 PolarHBondContact O-N 2.81Å; Q279-L282 PolarHBondContact O-N 2.95Å; L282-I285 PolarHBondContact O-N 3.41Å; L282-N286 VanDerWaalsContact O-CB 3.32Å; L282-N286 WeakPolarHBondContact O-CB 3.18Å; L282-N286 PolarHBondContact O-N 2.87Å; L282-N286 PolarHBondContact O-ND2 2.87Å
283E74.5Confident67.4Low142 Ų14281.4 Ų81.466%0.66445%0.454SS*.Hα-helixtrans-62.7-46175-171.7174.3104.600110.1Q279 I285 N286 T287Q279-E283 VanDerWaalsContact O-CB 3.26Å; Q279-E283 WeakPolarHBondContact O-CB 3.26Å; Q279-E283 PolarHBondContact O-N 2.99Å; E283-I285 PolarHBondContact O-N 3.29Å; E283-N286 CarbonylContact O-C 3.6Å; E283-N286 PolarHBondContact O-N 2.77Å; E283-T287 WeakPolarHBondContact O-CB 3.14Å; E283-T287 PolarHBondContact O-N 3.42Å; E283-T287 PolarHBondContact O-OG1 3.25Å
284F73.6Confident65.7Low40 Ų4091.4 Ų91.418%0.17549%0.49CS..Hα-helixtrans-63.3-41178.3-174.1-88.9000113.3I233 A237 F242 R246 A280 F281 N286 T287I233-F284 HydrophobicContact CG2-CB 4.36Å; A237-F284 HydrophobicContact CB-CD2 3.82Å; A237-F284 HydrophobicContact CB-CE1 3.92Å; A237-F284 HydrophobicContact CB-CE2 3.14Å; A237-F284 HydrophobicContact CB-CG 4.45Å; A237-F284 HydrophobicContact CB-CZ 3.16Å; F242-F284 AromaticContact CD1-CD1 3.68Å; F242-F284 HydrophobicContact CD1-CD1 3.68Å; F242-F284 AromaticContact CD1-CE1 3.29Å; F242-F284 HydrophobicContact CD1-CE1 3.29Å; F242-F284 AromaticContact CD1-CZ 3.99Å; F242-F284 HydrophobicContact CD1-CZ 3.99Å; F242-F284 HydrophobicContact CE1-CB 4.33Å; F242-F284 AromaticContact CE1-CD1 3.02Å; F242-F284 HydrophobicContact CE1-CD1 3.02Å; F242-F284 HydrophobicContact CE1-CD2 4.36Å; F242-F284 AromaticContact CE1-CE1 3.16Å; F242-F284 HydrophobicContact CE1-CE1 3.16Å; F242-F284 AromaticContact CE1-CG 3.64Å; F242-F284 HydrophobicContact CE1-CG 3.64Å; F242-F284 AromaticContact CE1-CZ 3.94Å; F242-F284 HydrophobicContact CE1-CZ 3.94Å; F242-F284 AromaticContact CZ-CD1 3.9Å; F242-F284 HydrophobicContact CZ-CD1 3.9Å; F242-F284 HydrophobicContact CZ-CE1 4.37Å; F242-F284 HydrophobicContact CZ-CG 4.36Å; R246-F284 HydrophobicContact CB-CE1 4.32Å; R246-F284 HydrophobicContact CG-CE1 4.4Å; A280-F284 WeakPolarHBondContact O-CB 3.43Å; A280-F284 PolarHBondContact O-N 3Å; F281-F284 PolarHBondContact O-N 3.42Å; F284-N286 VanDerWaalsContact C-N 3.34Å; F284-T287 WeakPolarHBondContact CA-OG1 3.22Å; F284-T287 PolarHBondContact O-N 2.8Å; F284-T287 PolarHBondContact O-OG1 3.44Å
285I74.8Confident63.7Low9 Ų997.2 Ų97.25%0.04653%0.529CS..Hα-helixtrans-67.4-39.4178-78.7-178.7000111.2V249 Q250 L256 F281 L282 E283V249-I285 HydrophobicContact CB-CD1 4.26Å; V249-I285 HydrophobicContact CB-CG2 4.06Å; V249-I285 HydrophobicContact CG1-CD1 4.06Å; V249-I285 HydrophobicContact CG1-CG2 3.36Å; V249-I285 HydrophobicContact CG2-CD1 4.21Å; Q250-I285 PolarHBondContact NE2-O 2.97Å; Q250-I285 VanDerWaalsContact NE2-O 3.13Å; L256-I285 HydrophobicContact CD2-CD1 4.13Å; F281-I285 HydrophobicContact CD1-CD1 3.87Å; F281-I285 HydrophobicContact CD2-CD1 4Å; F281-I285 HydrophobicContact CD2-CG1 4.45Å; F281-I285 HydrophobicContact CE1-CD1 3.34Å; F281-I285 HydrophobicContact CE2-CD1 3.48Å; F281-I285 VanDerWaalsContact CE2-CD1 3.48Å; F281-I285 HydrophobicContact CE2-CG1 4.24Å; F281-I285 HydrophobicContact CG-CD1 4.19Å; F281-I285 HydrophobicContact CZ-CD1 3.14Å; F281-I285 HydrophobicContact CZ-CG1 4.32Å; F281-I285 WeakPolarHBondContact O-CB 3.42Å; F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.21Å; F281-I285 PolarHBondContact O-N 3.03Å; L282-I285 PolarHBondContact O-N 3.41Å; E283-I285 PolarHBondContact O-N 3.29Å
286N69.3Low61.4Low122 Ų12295 Ų9565%0.65254%0.538SS*.Hα-helixtrans-81.5-14.7176.9-76.6-86.7000112.9L282 E283 F284 P288L282-N286 VanDerWaalsContact O-CB 3.32Å; L282-N286 WeakPolarHBondContact O-CB 3.18Å; L282-N286 PolarHBondContact O-N 2.87Å; L282-N286 PolarHBondContact O-ND2 2.87Å; E283-N286 CarbonylContact O-C 3.6Å; E283-N286 PolarHBondContact O-N 2.77Å; F284-N286 VanDerWaalsContact C-N 3.34Å; N286-P288 WeakPolarHBondContact O-CD 3.46Å
287T66.8Low59.1Low59 Ų5994.4 Ų94.436%0.36255%0.547SS..SBendtrans-75.2116.3171.85.30000108.1E283 F284E283-T287 WeakPolarHBondContact O-CB 3.14Å; E283-T287 PolarHBondContact O-N 3.42Å; E283-T287 PolarHBondContact O-OG1 3.25Å; F284-T287 WeakPolarHBondContact CA-OG1 3.22Å; F284-T287 PolarHBondContact O-N 2.8Å; F284-T287 PolarHBondContact O-OG1 3.44Å
288P55.2Low57.2Low85 Ų85101.2 Ų101.255%0.55258%0.578SS**  trans-59.3148163.927-30.7000107.5N286 T290N286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-T290 PolarHBondContact O-N 2.81Å; P288-T290 PolarHBondContact O-OG1 3.43Å
289V55.9Low55.1Low102 Ų102107.6 Ų107.662%0.61860%0.597SS**  trans-54.679.2173.6-76.60000110.8G291V289-G291 PolarHBondContact O-N 2.9Å
290T43.1Very low53.4Low112 Ų112105.5 Ų105.569%0.68759%0.587SS**  trans-90.171.1-175.3-500000106.2P288 T292P288-T290 PolarHBondContact O-N 2.81Å; P288-T290 PolarHBondContact O-OG1 3.43Å; T290-T292 PolarHBondContact O-N 3.18Å
291G42.5Very low52.1Low66 Ų66110.1 Ų110.168%0.6861%0.613SS**  trans-65.6108.5155.200000107.1V289V289-G291 PolarHBondContact O-N 2.9Å
292T37.2Very low50.6Low122 Ų122116.1 Ų116.175%0.74865%0.65SS**SBendtrans6.9120.5156.5-37.30000116.5T290T290-T292 PolarHBondContact O-N 3.18Å
293T34.9Very low49.5Very low128 Ų128116.8 Ų116.879%0.78565%0.653SS**  trans108.1109.8159.666.80000120.4
294R42.2Very low48.4Very low237 Ų237116.1 Ų116.189%0.89466%0.659SS**  trans77.6136.8141.5-93.4159.164.6-179.7-0.6121.4
295P35.9Very low48Very low131 Ų131116.8 Ų116.885%0.85166%0.663SS**  trans-82131.3172.434.4-29.9000110
296G36.4Very low48.1Very low73 Ų73120 Ų12075%0.75368%0.683SS**  trans15597.1173.800000112.6
297S38.2Very low48.5Very low113 Ų113118.5 Ų118.579%0.7969%0.687SS**  trans41131.7147.1-81.60000121.8
298Q38.9Very low49.1Very low175 Ų175123.3 Ų123.382%0.81871%0.706SS**  trans86.6111.7148.2-69.5174.8-23.400117.7Q300Q298-Q300 PolarHBondContact O-N 2.83Å; Q298-Q300 VanDerWaalsContact O-N 3.13Å
299R36.7Very low50.4Low255 Ų255119.4 Ų119.496%0.96268%0.68SS**  trans-35.1110.6155.3-72.1172.7166157.9-4.7110.6
300Q41.9Very low51.7Low125 Ų125123.9 Ų123.958%0.58469%0.686SS**  trans-128.6117.8161.4-81.1-175.1-35.700109.4Q298 V302 E323Q298-Q300 PolarHBondContact O-N 2.83Å; Q298-Q300 VanDerWaalsContact O-N 3.13Å; Q300-V302 PolarHBondContact O-N 2.68Å; Q300-E323 PolarHBondContact NE2-OE1 3.49Å
301T44Very low53.8Low128 Ų128120.8 Ų120.879%0.78567%0.672SS**  trans-41.5113.5165.6-55.50000109.8L303T301-L303 HydrophobicContact CG2-CD1 3.91Å; T301-L303 PolarHBondContact O-N 3.16Å
302V43.7Very low55.7Low131 Ų131117.8 Ų117.879%0.79464%0.641SS**  trans-74.581.9176.9-176.40000108.3Q300Q300-V302 PolarHBondContact O-N 2.68Å
303L55Low58.1Low98 Ų98112.2 Ų112.251%0.51361%0.607SS.*  trans-72.2124.1148.2-98.280000106.2T301 M305 Y331T301-L303 HydrophobicContact CG2-CD1 3.91Å; T301-L303 PolarHBondContact O-N 3.16Å; L303-M305 PolarHBondContact O-N 3.3Å; L303-Y331 HydrophobicContact CD2-CE1 4.25Å; L303-Y331 HydrophobicContact CD2-CE2 4.35Å
304T49.5Very low60.6Low127 Ų127111.1 Ų111.178%0.77960%0.596SS**  trans-67.182.4173.6-51.40000109.1
305M66.1Low62.7Low55 Ų55106.9 Ų106.927%0.27158%0.58SS.*  trans-71.4131172.8-70.7-169.283.900109.7L303 E309 V313 I327 Y331L303-M305 PolarHBondContact O-N 3.3Å; M305-E309 WeakPolarHBondContact CA-OE2 3.38Å; M305-E309 HydrophobicContact CB-CB 4.47Å; M305-E309 HydrophobicContact CE-CB 3.5Å; M305-E309 VanDerWaalsContact CE-CB 3.5Å; M305-V313 HydrophobicContact CE-CB 4.45Å; M305-V313 HydrophobicContact CE-CG2 3.44Å; M305-V313 VanDerWaalsContact CE-CG2 3.44Å; M305-I327 HydrophobicContact CE-CG1 4.22Å; M305-I327 HydrophobicContact SD-CD1 4.13Å; M305-I327 HydrophobicContact SD-CG1 4.1Å; M305-Y331 HydrophobicContact CE-CE2 4.06Å; M305-Y331 HydrophobicContact CG-CE2 4.36Å
306T77.1Confident65.1Low77 Ų77100.7 Ų100.747%0.47254%0.54SS..  trans-72.7157171.655.90000110.5E308 E309 R310T306-E308 PolarHBondContact O-N 2.76Å; T306-E308 VanDerWaalsContact O-N 3.13Å; T306-E309 PolarHBondContact N-OE2 3.39Å; T306-E309 PolarHBondContact O-N 3.03Å; T306-E309 WeakPolarHBondContact OG1-CG 3.08Å; T306-E309 PolarHBondContact OG1-OE2 2.89Å; T306-R310 PolarHBondContact O-N 2.94Å; T306-R310 VanDerWaalsContact O-N 3.1Å
307A77.5Confident67.5Low89 Ų89100.8 Ų100.874%0.73652%0.519SS*.Hα-helixtrans-56.8-31.5-175.100000113.3A311A307-A311 PolarHBondContact O-N 3.47Å; A307-A311 VanDerWaalsContact O-N 3.09Å
308E79Confident69.8Low161 Ų16199.6 Ų99.675%0.75252%0.516SS*.Hα-helixtrans-69.9-41.7177.7-146.2162.198.800111.9T306 R310 A311 A312T306-E308 PolarHBondContact O-N 2.76Å; T306-E308 VanDerWaalsContact O-N 3.13Å; E308-R310 VanDerWaalsContact C-N 3.32Å; E308-R310 PolarHBondContact O-N 3.06Å; E308-A311 PolarHBondContact O-N 3.1Å; E308-A312 PolarHBondContact O-N 3.13Å
309E82Confident71.9Confident2 Ų296.8 Ų96.81%0.00951%0.506CS..Hα-helixtrans-66.2-39.1176.7-50.3175.5127.200110.4M305 T306 A311 A312 V313 Y330 Y331 K335M305-E309 WeakPolarHBondContact CA-OE2 3.38Å; M305-E309 HydrophobicContact CB-CB 4.47Å; M305-E309 HydrophobicContact CE-CB 3.5Å; M305-E309 VanDerWaalsContact CE-CB 3.5Å; T306-E309 PolarHBondContact N-OE2 3.39Å; T306-E309 PolarHBondContact O-N 3.03Å; T306-E309 WeakPolarHBondContact OG1-CG 3.08Å; T306-E309 PolarHBondContact OG1-OE2 2.89Å; E309-A311 VanDerWaalsContact C-N 3.31Å; E309-A311 PolarHBondContact O-N 3.06Å; E309-A312 PolarHBondContact O-N 3.35Å; E309-V313 WeakPolarHBondContact O-CB 3.2Å; E309-V313 WeakPolarHBondContact O-CG2 3.15Å; E309-V313 PolarHBondContact O-N 2.99Å; E309-Y330 HydrophobicContact CB-CD1 4.34Å; E309-Y330 HydrophobicContact CB-CE1 3.6Å; E309-Y330 HydrophobicContact CG-CE1 3.59Å; E309-Y331 PolarHBondContact OE1-OH 3.5Å; E309-Y331 PolarHBondContact OE2-OH 3.48Å; E309-K335 WeakPolarHBondContact OE1-CD 3.21Å; E309-K335 WeakPolarHBondContact OE1-CE 3.33Å; E309-K335 IonicContact OE1-NZ 2.68Å; E309-K335 PolarHBondContact OE1-NZ 3.29Å
310R83.2Confident74Confident196 Ų19687.7 Ų87.774%0.7449%0.492SS*.Hα-helixtrans-64.2-37.1175.6-162.8-179.7179.4160.53.4111.8T306 E308 D314T306-R310 PolarHBondContact O-N 2.94Å; T306-R310 VanDerWaalsContact O-N 3.1Å; E308-R310 VanDerWaalsContact C-N 3.32Å; E308-R310 PolarHBondContact O-N 3.06Å; R310-D314 WeakPolarHBondContact O-CB 3.32Å; R310-D314 PolarHBondContact O-N 3.32Å
311A87.5Confident75.9Confident47 Ų4783.3 Ų83.339%0.38847%0.471SS..Hα-helixtrans-70.6-38.6176.200000112.6A307 E308 E309 D314 R315A307-A311 PolarHBondContact O-N 3.47Å; A307-A311 VanDerWaalsContact O-N 3.09Å; E308-A311 PolarHBondContact O-N 3.1Å; E309-A311 VanDerWaalsContact C-N 3.31Å; E309-A311 PolarHBondContact O-N 3.06Å; A311-D314 PolarHBondContact O-N 3.49Å; A311-R315 PolarHBondContact O-N 2.99Å; A311-R315 VanDerWaalsContact O-N 3.08Å
312A83.8Confident77.9Confident3 Ų380.8 Ų80.83%0.02546%0.457CS..Hα-helixtrans-63.9-49.1172.800000110.5E308 E309 D314 R315 L316 Y330 E337E308-A312 PolarHBondContact O-N 3.13Å; E309-A312 PolarHBondContact O-N 3.35Å; A312-D314 VanDerWaalsContact C-N 3.27Å; A312-D314 PolarHBondContact O-N 3.21Å; A312-R315 PolarHBondContact O-N 3.11Å; A312-R315 VanDerWaalsContact O-N 3.14Å; A312-L316 HydrophobicContact CB-CD1 4.5Å; A312-L316 WeakPolarHBondContact O-CB 3.48Å; A312-L316 VanDerWaalsContact O-CD1 3.29Å; A312-L316 WeakPolarHBondContact O-CD1 3.22Å; A312-L316 PolarHBondContact O-N 2.66Å; A312-Y330 HydrophobicContact CB-CD2 4Å; A312-Y330 HydrophobicContact CB-CE2 3.35Å; A312-E337 WeakPolarHBondContact CA-OE2 3.21Å; A312-E337 HydrophobicContact CB-CB 4.29Å; A312-E337 HydrophobicContact CB-CG 4.24Å
313V85.9Confident79.8Confident6 Ų677.3 Ų77.34%0.03643%0.432CS..Hα-helixtrans-56.9-40.7176171.10000111.5M305 E309 L316 K317 E323 V326 I327M305-V313 HydrophobicContact CE-CB 4.45Å; M305-V313 HydrophobicContact CE-CG2 3.44Å; M305-V313 VanDerWaalsContact CE-CG2 3.44Å; E309-V313 WeakPolarHBondContact O-CB 3.2Å; E309-V313 WeakPolarHBondContact O-CG2 3.15Å; E309-V313 PolarHBondContact O-N 2.99Å; V313-L316 PolarHBondContact O-N 3.14Å; V313-K317 HydrophobicContact CG1-CD 3.86Å; V313-K317 HydrophobicContact CG1-CG 4.25Å; V313-K317 WeakPolarHBondContact O-CB 3.44Å; V313-K317 WeakPolarHBondContact O-CG 3.3Å; V313-K317 PolarHBondContact O-N 3.33Å; V313-E323 HydrophobicContact CG1-CG 4.15Å; V313-V326 HydrophobicContact CB-CG1 4.07Å; V313-V326 HydrophobicContact CG1-CB 4.43Å; V313-V326 HydrophobicContact CG1-CG1 3.95Å; V313-V326 HydrophobicContact CG2-CG1 3.99Å; V313-I327 HydrophobicContact CG1-CG1 3.98Å; V313-I327 HydrophobicContact CG2-CG1 3.81Å
314D87.8Confident81.2Confident104 Ų10480.2 Ų80.256%0.55644%0.443SS*.Hα-helixtrans-65.4-41.3177.6-163.1-104.4000112.7R310 A311 A312 K317 A318R310-D314 WeakPolarHBondContact O-CB 3.32Å; R310-D314 PolarHBondContact O-N 3.32Å; A311-D314 PolarHBondContact O-N 3.49Å; A312-D314 VanDerWaalsContact C-N 3.27Å; A312-D314 PolarHBondContact O-N 3.21Å; D314-K317 PolarHBondContact O-N 3.4Å; D314-A318 WeakPolarHBondContact O-CB 3.35Å; D314-A318 PolarHBondContact O-N 3.39Å
315R86.7Confident83Confident149 Ų14977.9 Ų77.956%0.56243%0.425SS*.Hα-helixtrans-63.6-43.8173.5-83.2-169.4-101.2-163.1-4.3112.8A311 A312 A318 L319 E337A311-R315 PolarHBondContact O-N 2.99Å; A311-R315 VanDerWaalsContact O-N 3.08Å; A312-R315 PolarHBondContact O-N 3.11Å; A312-R315 VanDerWaalsContact O-N 3.14Å; R315-A318 WeakPolarHBondContact O-CB 3.35Å; R315-A318 PolarHBondContact O-N 2.85Å; R315-L319 PolarHBondContact O-N 3.44Å; R315-E337 IonicContact CZ-OE1 3.9Å; R315-E337 IonicContact CZ-OE2 3.65Å; R315-E337 IonicContact NE-OE1 3.77Å; R315-E337 IonicContact NE-OE2 3.46Å; R315-E337 PolarHBondContact NE-OE2 3.39Å; R315-E337 IonicContact NH1-OE1 3.91Å; R315-E337 IonicContact NH2-OE2 2.66Å
316L86.2Confident84Confident1 Ų175.3 Ų75.31%0.00541%0.412CS..Hα-helixtrans-66.9-36.2176.6-82.5137.9000111.7A312 V313 A318 L319 F321 V326 Y330 E337 A340 A341 L344A312-L316 HydrophobicContact CB-CD1 4.5Å; A312-L316 WeakPolarHBondContact O-CB 3.48Å; A312-L316 VanDerWaalsContact O-CD1 3.29Å; A312-L316 WeakPolarHBondContact O-CD1 3.22Å; A312-L316 PolarHBondContact O-N 2.66Å; V313-L316 PolarHBondContact O-N 3.14Å; L316-A318 VanDerWaalsContact C-N 3.34Å; L316-L319 WeakPolarHBondContact O-CB 3.45Å; L316-L319 PolarHBondContact O-N 2.84Å; L316-F321 WeakPolarHBondContact O-CD2 3.2Å; L316-V326 HydrophobicContact CB-CB 4.3Å; L316-V326 HydrophobicContact CB-CG1 3.28Å; L316-V326 HydrophobicContact CB-CG2 3.95Å; L316-V326 HydrophobicContact CD1-CG1 4Å; L316-V326 HydrophobicContact CD2-CG1 4.44Å; L316-V326 HydrophobicContact CG-CG1 4.1Å; L316-Y330 HydrophobicContact CD1-CD2 4.35Å; L316-E337 HydrophobicContact CD1-CG 3.93Å; L316-A340 HydrophobicContact CD1-CB 4.35Å; L316-A340 HydrophobicContact CD2-CB 4.39Å; L316-A341 HydrophobicContact CD2-CB 3.84Å; L316-L344 HydrophobicContact CD2-CD1 3.51Å
317K86Confident84.4Confident74 Ų7473.6 Ų73.632%0.32240%0.4SS..Hα-helixtrans-65.5-36.3170.6-76.8172.869.4-175.10112.6V313 D314 L319 G320 E323 V326V313-K317 HydrophobicContact CG1-CD 3.86Å; V313-K317 HydrophobicContact CG1-CG 4.25Å; V313-K317 WeakPolarHBondContact O-CB 3.44Å; V313-K317 WeakPolarHBondContact O-CG 3.3Å; V313-K317 PolarHBondContact O-N 3.33Å; D314-K317 PolarHBondContact O-N 3.4Å; K317-L319 PolarHBondContact O-N 3.41Å; K317-G320 PolarHBondContact O-N 3.24Å; K317-E323 HydrophobicContact CD-CB 3.7Å; K317-E323 HydrophobicContact CD-CG 3.91Å; K317-E323 WeakPolarHBondContact CE-OE2 3.37Å; K317-E323 HydrophobicContact CG-CB 4.21Å; K317-E323 IonicContact NZ-OE2 3.83Å; K317-E323 PolarHBondContact NZ-OE2 3.47Å; K317-V326 HydrophobicContact CG-CG2 4.36Å
318A87.5Confident84.7Confident89 Ų8976.1 Ų76.174%0.73640%0.397SS*.Hα-helixtrans-65-23176.700000112.9D314 R315 L316 G320D314-A318 WeakPolarHBondContact O-CB 3.35Å; D314-A318 PolarHBondContact O-N 3.39Å; R315-A318 WeakPolarHBondContact O-CB 3.35Å; R315-A318 PolarHBondContact O-N 2.85Å; L316-A318 VanDerWaalsContact C-N 3.34Å; A318-G320 PolarHBondContact O-N 2.87Å
319L82.2Confident85Confident116 Ų11668.6 Ų68.661%0.60736%0.362SS*.THydrogen-bonded Turntrans-76.4-5.9171.3-75.6149.1000113.5R315 L316 K317 F321R315-L319 PolarHBondContact O-N 3.44Å; L316-L319 WeakPolarHBondContact O-CB 3.45Å; L316-L319 PolarHBondContact O-N 2.84Å; K317-L319 PolarHBondContact O-N 3.41Å; L319-F321 HydrophobicContact CB-CD2 3.89Å; L319-F321 HydrophobicContact CB-CE2 3.84Å
320G82.1Confident85.3Confident64 Ų6469 Ų6966%0.6636%0.364SS*.THydrogen-bonded Turntrans102.34.5175.600000115.1K317 A318K317-G320 PolarHBondContact O-N 3.24Å; A318-G320 PolarHBondContact O-N 2.87Å
321F81.2Confident85.5Confident32 Ų3263.4 Ų63.414%0.1434%0.343CS..  trans-82.6141.5177.3-59.2-71000111.6L316 L319 V326 L344 L345L316-F321 WeakPolarHBondContact O-CD2 3.2Å; L319-F321 HydrophobicContact CB-CD2 3.89Å; L319-F321 HydrophobicContact CB-CE2 3.84Å; F321-V326 HydrophobicContact CB-CG2 3.41Å; F321-V326 VanDerWaalsContact CB-CG2 3.41Å; F321-L344 HydrophobicContact CB-CD1 4.14Å; F321-L344 HydrophobicContact CD1-CB 3.82Å; F321-L344 HydrophobicContact CD1-CD1 4.49Å; F321-L344 HydrophobicContact CD1-CD2 4.38Å; F321-L344 HydrophobicContact CD1-CG 4.47Å; F321-L344 HydrophobicContact CD2-CB 4.29Å; F321-L344 HydrophobicContact CD2-CD1 4.12Å; F321-L344 HydrophobicContact CE1-CB 3.81Å; F321-L344 HydrophobicContact CE2-CB 4.28Å; F321-L344 HydrophobicContact CG-CB 4.08Å; F321-L344 HydrophobicContact CG-CD1 3.99Å; F321-L344 HydrophobicContact CG-CG 4.45Å; F321-L344 HydrophobicContact CZ-CB 4.06Å; F321-L345 HydrophobicContact CE2-CD1 4.45Å; F321-L345 HydrophobicContact CZ-CD1 4.3Å; F321-L345 HydrophobicContact CZ-CG 4.04Å
322P86Confident85.5Confident75 Ų7564.6 Ų64.649%0.48735%0.353SS..  trans-70.1140.8178.826.6-30.3000111.1E324 L325 V326P322-E324 PolarHBondContact O-N 2.96Å; P322-E324 VanDerWaalsContact O-N 3.11Å; P322-L325 HydrophobicContact CG-CB 3.98Å; P322-L325 HydrophobicContact CG-CD1 3.7Å; P322-L325 HydrophobicContact CG-CG 4.01Å; P322-L325 PolarHBondContact O-N 3Å; P322-V326 WeakPolarHBondContact O-CG2 3.19Å; P322-V326 PolarHBondContact O-N 2.84Å
323E84.1Confident85.7Confident58 Ų5865.9 Ų65.927%0.27136%0.361SS..Hα-helixtrans-50.4-41.2-174.3-178.8171.8104.500113.3Q300 V313 K317 V326 I327Q300-E323 PolarHBondContact NE2-OE1 3.49Å; V313-E323 HydrophobicContact CG1-CG 4.15Å; K317-E323 HydrophobicContact CD-CB 3.7Å; K317-E323 HydrophobicContact CD-CG 3.91Å; K317-E323 WeakPolarHBondContact CE-OE2 3.37Å; K317-E323 HydrophobicContact CG-CB 4.21Å; K317-E323 IonicContact NZ-OE2 3.83Å; K317-E323 PolarHBondContact NZ-OE2 3.47Å; E323-V326 PolarHBondContact O-N 3.35Å; E323-I327 HydrophobicContact CG-CD1 3.6Å; E323-I327 HydrophobicContact CG-CG1 4.29Å; E323-I327 WeakPolarHBondContact O-CB 3.03Å; E323-I327 WeakPolarHBondContact O-CG1 3.25Å; E323-I327 PolarHBondContact O-N 3.45Å
324E84.8Confident85.8Confident160 Ų16074.4 Ų74.475%0.74840%0.401SS*.Hα-helixtrans-65.1-44.9-179.5-68.3-17387.200112.6P322 V326 I327 Q328P322-E324 PolarHBondContact O-N 2.96Å; P322-E324 VanDerWaalsContact O-N 3.11Å; E324-V326 VanDerWaalsContact C-N 3.32Å; E324-I327 PolarHBondContact O-N 3.21Å; E324-Q328 VanDerWaalsContact O-CB 3.32Å; E324-Q328 WeakPolarHBondContact O-CB 3.06Å; E324-Q328 PolarHBondContact O-N 3.09Å
325L85.4Confident85.6Confident78 Ų7874.4 Ų74.441%0.40840%0.396SS..Hα-helixtrans-65.9-39175.2-79.5178.3000111P322 Q328 A329 L344P322-L325 HydrophobicContact CG-CB 3.98Å; P322-L325 HydrophobicContact CG-CD1 3.7Å; P322-L325 HydrophobicContact CG-CG 4.01Å; P322-L325 PolarHBondContact O-N 3Å; L325-Q328 PolarHBondContact O-N 2.82Å; L325-A329 VanDerWaalsContact O-CB 3.25Å; L325-A329 WeakPolarHBondContact O-CB 3.29Å; L325-A329 PolarHBondContact O-N 3.46Å; L325-L344 HydrophobicContact CB-CD2 3.79Å
326V87.2Confident85.6Confident0 Ų071.3 Ų71.30%039%0.39CS..Hα-helixtrans-62.5-47.5178.51770000111.2V313 L316 K317 F321 P322 E323 E324 Q328 A329 Y330 L344V313-V326 HydrophobicContact CB-CG1 4.07Å; V313-V326 HydrophobicContact CG1-CB 4.43Å; V313-V326 HydrophobicContact CG1-CG1 3.95Å; V313-V326 HydrophobicContact CG2-CG1 3.99Å; L316-V326 HydrophobicContact CB-CB 4.3Å; L316-V326 HydrophobicContact CB-CG1 3.28Å; L316-V326 HydrophobicContact CB-CG2 3.95Å; L316-V326 HydrophobicContact CD1-CG1 4Å; L316-V326 HydrophobicContact CD2-CG1 4.44Å; L316-V326 HydrophobicContact CG-CG1 4.1Å; K317-V326 HydrophobicContact CG-CG2 4.36Å; F321-V326 HydrophobicContact CB-CG2 3.41Å; F321-V326 VanDerWaalsContact CB-CG2 3.41Å; P322-V326 WeakPolarHBondContact O-CG2 3.19Å; P322-V326 PolarHBondContact O-N 2.84Å; E323-V326 PolarHBondContact O-N 3.35Å; E324-V326 VanDerWaalsContact C-N 3.32Å; V326-Q328 VanDerWaalsContact C-N 3.34Å; V326-Q328 PolarHBondContact O-N 2.82Å; V326-A329 PolarHBondContact O-N 3.29Å; V326-Y330 WeakPolarHBondContact O-CB 3.47Å; V326-Y330 PolarHBondContact O-N 3.44Å; V326-L344 HydrophobicContact CB-CD1 4.38Å; V326-L344 HydrophobicContact CG2-CD1 3.87Å
327I86Confident85.6Confident42 Ų4274 Ų7422%0.21540%0.403CS..Hα-helixtrans-62.4-45177.6-67.2166000109.8M305 V313 E323 E324 Y330 Y331M305-I327 HydrophobicContact CE-CG1 4.22Å; M305-I327 HydrophobicContact SD-CD1 4.13Å; M305-I327 HydrophobicContact SD-CG1 4.1Å; V313-I327 HydrophobicContact CG1-CG1 3.98Å; V313-I327 HydrophobicContact CG2-CG1 3.81Å; E323-I327 HydrophobicContact CG-CD1 3.6Å; E323-I327 HydrophobicContact CG-CG1 4.29Å; E323-I327 WeakPolarHBondContact O-CB 3.03Å; E323-I327 WeakPolarHBondContact O-CG1 3.25Å; E323-I327 PolarHBondContact O-N 3.45Å; E324-I327 PolarHBondContact O-N 3.21Å; I327-Y330 PolarHBondContact O-N 2.94Å; I327-Y331 HydrophobicContact CG2-CD2 3.93Å; I327-Y331 HydrophobicContact CG2-CE2 4.21Å; I327-Y331 WeakPolarHBondContact O-CD2 3.48Å; I327-Y331 PolarHBondContact O-N 2.92Å
328Q84.7Confident85.7Confident142 Ų14276.6 Ų76.666%0.66442%0.42SS*.Hα-helixtrans-58.9-51178.2-169.481.213.400111.4E324 L325 V326 Y331 A332E324-Q328 VanDerWaalsContact O-CB 3.32Å; E324-Q328 WeakPolarHBondContact O-CB 3.06Å; E324-Q328 PolarHBondContact O-N 3.09Å; L325-Q328 PolarHBondContact O-N 2.82Å; V326-Q328 VanDerWaalsContact C-N 3.34Å; V326-Q328 PolarHBondContact O-N 2.82Å; Q328-Y331 PolarHBondContact O-N 3.14Å; Q328-A332 VanDerWaalsContact O-CB 3.22Å; Q328-A332 WeakPolarHBondContact O-CB 3.32Å; Q328-A332 PolarHBondContact O-N 3.22Å
329A85.5Confident85.7Confident2 Ų274.1 Ų74.12%0.01740%0.4CS..Hα-helixtrans-64.5-41.417900000111.7L325 V326 Y331 A332 C333 A340 F343 L344L325-A329 VanDerWaalsContact O-CB 3.25Å; L325-A329 WeakPolarHBondContact O-CB 3.29Å; L325-A329 PolarHBondContact O-N 3.46Å; V326-A329 PolarHBondContact O-N 3.29Å; A329-Y331 PolarHBondContact O-N 3.08Å; A329-A332 PolarHBondContact O-N 2.92Å; A329-C333 WeakPolarHBondContact O-CB 3.43Å; A329-C333 PolarHBondContact O-N 2.81Å; A329-C333 PolarHBondContact O-SG 3.28Å; A329-C333 VanDerWaalsContact O-SG 3.39Å; A329-A340 HydrophobicContact CB-CB 4.32Å; A329-F343 HydrophobicContact CB-CD1 3.82Å; A329-L344 HydrophobicContact CB-CD1 4.16Å; A329-L344 HydrophobicContact CB-CD2 3.88Å; A329-L344 HydrophobicContact CB-CG 3.72Å
330Y87.7Confident85.9Confident12 Ų1268.6 Ų68.65%0.04737%0.371CS..Hα-helixtrans-63.3-43.3179-173.6-94.5000112.1E309 A312 L316 V326 I327 K335 E337 A340E309-Y330 HydrophobicContact CB-CD1 4.34Å; E309-Y330 HydrophobicContact CB-CE1 3.6Å; E309-Y330 HydrophobicContact CG-CE1 3.59Å; A312-Y330 HydrophobicContact CB-CD2 4Å; A312-Y330 HydrophobicContact CB-CE2 3.35Å; L316-Y330 HydrophobicContact CD1-CD2 4.35Å; V326-Y330 WeakPolarHBondContact O-CB 3.47Å; V326-Y330 PolarHBondContact O-N 3.44Å; I327-Y330 PolarHBondContact O-N 2.94Å; Y330-K335 HydrophobicContact CD1-CB 4.39Å; Y330-K335 VanDerWaalsContact CE1-CA 3.46Å; Y330-K335 HydrophobicContact CE1-CB 3.61Å; Y330-K335 HydrophobicContact CE1-CG 4.05Å; Y330-K335 WeakPolarHBondContact CE2-O 3.15Å; Y330-K335 VanDerWaalsContact CZ-C 3.48Å; Y330-K335 VanDerWaalsContact CZ-O 3.23Å; Y330-K335 VanDerWaalsContact O-CA 3.3Å; Y330-K335 WeakPolarHBondContact O-CA 3.49Å; Y330-K335 PolarHBondContact O-N 3.31Å; Y330-K335 PolarHBondContact OH-O 3.46Å; Y330-E337 HydrophobicContact CE2-CB 4.44Å; Y330-A340 HydrophobicContact CD2-CB 4.26Å
331Y87.9Confident86.2Confident77 Ų7766.5 Ų66.530%0.30235%0.347SS..Hα-helixtrans-72-33.5173.6-87-91.7000112.8L303 M305 E309 I327 Q328 A329 C333 E334L303-Y331 HydrophobicContact CD2-CE1 4.25Å; L303-Y331 HydrophobicContact CD2-CE2 4.35Å; M305-Y331 HydrophobicContact CE-CE2 4.06Å; M305-Y331 HydrophobicContact CG-CE2 4.36Å; E309-Y331 PolarHBondContact OE1-OH 3.5Å; E309-Y331 PolarHBondContact OE2-OH 3.48Å; I327-Y331 HydrophobicContact CG2-CD2 3.93Å; I327-Y331 HydrophobicContact CG2-CE2 4.21Å; I327-Y331 WeakPolarHBondContact O-CD2 3.48Å; I327-Y331 PolarHBondContact O-N 2.92Å; Q328-Y331 PolarHBondContact O-N 3.14Å; A329-Y331 PolarHBondContact O-N 3.08Å; Y331-C333 VanDerWaalsContact C-N 3.32Å; Y331-E334 PolarHBondContact O-N 3.43Å
332A87.1Confident86.4Confident73 Ų7370.9 Ų70.960%0.60337%0.372SS*.Hα-helixtrans-66.7-33175.200000112.7Q328 A329 E334Q328-A332 VanDerWaalsContact O-CB 3.22Å; Q328-A332 WeakPolarHBondContact O-CB 3.32Å; Q328-A332 PolarHBondContact O-N 3.22Å; A329-A332 PolarHBondContact O-N 2.92Å; A332-E334 VanDerWaalsContact C-N 3.29Å; A332-E334 PolarHBondContact O-N 3.26Å
333C87.4Confident86.4Confident29 Ų2971.9 Ų71.920%0.19637%0.369CS..THydrogen-bonded Turntrans-90.625.5177.7-670000113.5A329 Y331 K335 N336 A339 A340A329-C333 WeakPolarHBondContact O-CB 3.43Å; A329-C333 PolarHBondContact O-N 2.81Å; A329-C333 PolarHBondContact O-SG 3.28Å; A329-C333 VanDerWaalsContact O-SG 3.39Å; Y331-C333 VanDerWaalsContact C-N 3.32Å; C333-K335 VanDerWaalsContact C-N 3.34Å; C333-K335 PolarHBondContact O-N 2.96Å; C333-N336 WeakPolarHBondContact O-CB 3.43Å; C333-N336 PolarHBondContact O-N 3.37Å; C333-A339 HydrophobicContact CB-CB 3.73Å; C333-A339 VanDerWaalsContact SG-C 3.55Å; C333-A340 HydrophobicContact CB-CB 4.35Å
334E87.3Confident86.4Confident185 Ų18569.2 Ų69.286%0.86436%0.357SS*.THydrogen-bonded Turntrans53.643.1180-74.6-166.292.100114.1Y331 A332 N336Y331-E334 PolarHBondContact O-N 3.43Å; A332-E334 VanDerWaalsContact C-N 3.29Å; A332-E334 PolarHBondContact O-N 3.26Å; E334-N336 VanDerWaalsContact C-N 3.28Å; E334-N336 PolarHBondContact O-N 3.21Å
335K85.4Confident86.3Confident105 Ų10566.2 Ų66.246%0.45735%0.345SS..THydrogen-bonded Turntrans65.727.8178.8-47.5178.6179.3-140.90114.1E309 Y330 C333E309-K335 WeakPolarHBondContact OE1-CD 3.21Å; E309-K335 WeakPolarHBondContact OE1-CE 3.33Å; E309-K335 IonicContact OE1-NZ 2.68Å; E309-K335 PolarHBondContact OE1-NZ 3.29Å; Y330-K335 HydrophobicContact CD1-CB 4.39Å; Y330-K335 VanDerWaalsContact CE1-CA 3.46Å; Y330-K335 HydrophobicContact CE1-CB 3.61Å; Y330-K335 HydrophobicContact CE1-CG 4.05Å; Y330-K335 WeakPolarHBondContact CE2-O 3.15Å; Y330-K335 VanDerWaalsContact CZ-C 3.48Å; Y330-K335 VanDerWaalsContact CZ-O 3.23Å; Y330-K335 VanDerWaalsContact O-CA 3.3Å; Y330-K335 WeakPolarHBondContact O-CA 3.49Å; Y330-K335 PolarHBondContact O-N 3.31Å; Y330-K335 PolarHBondContact OH-O 3.46Å; C333-K335 VanDerWaalsContact C-N 3.34Å; C333-K335 PolarHBondContact O-N 2.96Å
336N86.4Confident86.1Confident84 Ų8465.9 Ų65.945%0.44935%0.349SS..  trans-102.4115.5-179.3-163.7-20.5000111C333 E334 A339 A340C333-N336 WeakPolarHBondContact O-CB 3.43Å; C333-N336 PolarHBondContact O-N 3.37Å; E334-N336 VanDerWaalsContact C-N 3.28Å; E334-N336 PolarHBondContact O-N 3.21Å; N336-A339 HydrophobicContact CB-CB 4.07Å; N336-A339 PolarHBondContact O-N 3.21Å; N336-A340 VanDerWaalsContact O-CB 3.29Å; N336-A340 WeakPolarHBondContact O-CB 3.29Å; N336-A340 PolarHBondContact O-N 3.42Å
337E86Confident85.4Confident58 Ų5870.4 Ų70.427%0.27137%0.37SS..Hα-helixtrans-61-48.2-176-175.5179122.500112A312 R315 L316 Y330 A339 A340 A341A312-E337 WeakPolarHBondContact CA-OE2 3.21Å; A312-E337 HydrophobicContact CB-CB 4.29Å; A312-E337 HydrophobicContact CB-CG 4.24Å; R315-E337 IonicContact CZ-OE1 3.9Å; R315-E337 IonicContact CZ-OE2 3.65Å; R315-E337 IonicContact NE-OE1 3.77Å; R315-E337 IonicContact NE-OE2 3.46Å; R315-E337 PolarHBondContact NE-OE2 3.39Å; R315-E337 IonicContact NH1-OE1 3.91Å; R315-E337 IonicContact NH2-OE2 2.66Å; L316-E337 HydrophobicContact CD1-CG 3.93Å; Y330-E337 HydrophobicContact CE2-CB 4.44Å; E337-A339 PolarHBondContact O-N 3.49Å; E337-A340 PolarHBondContact O-N 3.47Å; E337-A341 WeakPolarHBondContact O-CB 3.46Å; E337-A341 PolarHBondContact O-N 3.4Å
338D88.1Confident84.5Confident128 Ų12871.1 Ų71.168%0.68438%0.379SS*.Hα-helixtrans-64.4-41.1-178.7-78.5-84.3000112.4A341 N342D338-A341 PolarHBondContact O-N 2.91Å; D338-N342 PolarHBondContact O-N 3.42Å
339A86.6Confident83.2Confident37 Ų3770.9 Ų70.931%0.30638%0.382SS..Hα-helixtrans-70.8-39.4179.100000111.4C333 N336 E337 N342 F343C333-A339 HydrophobicContact CB-CB 3.73Å; C333-A339 VanDerWaalsContact SG-C 3.55Å; N336-A339 HydrophobicContact CB-CB 4.07Å; N336-A339 PolarHBondContact O-N 3.21Å; E337-A339 PolarHBondContact O-N 3.49Å; A339-N342 PolarHBondContact O-N 3.34Å; A339-F343 WeakPolarHBondContact O-CB 3.3Å; A339-F343 PolarHBondContact O-N 3.02Å
340A87.5Confident81.7Confident0 Ų076 Ų760%041%0.409CS..Hα-helixtrans-63.8-40.8174.600000111.8L316 A329 Y330 C333 N336 E337 F343 L344L316-A340 HydrophobicContact CD1-CB 4.35Å; L316-A340 HydrophobicContact CD2-CB 4.39Å; A329-A340 HydrophobicContact CB-CB 4.32Å; Y330-A340 HydrophobicContact CD2-CB 4.26Å; C333-A340 HydrophobicContact CB-CB 4.35Å; N336-A340 VanDerWaalsContact O-CB 3.29Å; N336-A340 WeakPolarHBondContact O-CB 3.29Å; N336-A340 PolarHBondContact O-N 3.42Å; E337-A340 PolarHBondContact O-N 3.47Å; A340-F343 PolarHBondContact O-N 2.94Å; A340-L344 WeakPolarHBondContact O-CB 3.38Å; A340-L344 WeakPolarHBondContact O-CD1 3.25Å; A340-L344 VanDerWaalsContact O-CG 3.25Å; A340-L344 WeakPolarHBondContact O-CG 3.43Å; A340-L344 PolarHBondContact O-N 2.99Å
341A87.2Confident80.1Confident20 Ų2081.8 Ų81.817%0.16544%0.441CS..Hα-helixtrans-61.3-48.1174.300000111L316 E337 D338 F343 L344 L345L316-A341 HydrophobicContact CD2-CB 3.84Å; E337-A341 WeakPolarHBondContact O-CB 3.46Å; E337-A341 PolarHBondContact O-N 3.4Å; D338-A341 PolarHBondContact O-N 2.91Å; A341-F343 VanDerWaalsContact C-N 3.32Å; A341-F343 PolarHBondContact O-N 3.38Å; A341-L344 PolarHBondContact O-N 2.91Å; A341-L345 WeakPolarHBondContact O-CB 3.43Å; A341-L345 WeakPolarHBondContact O-CD1 3.4Å; A341-L345 PolarHBondContact O-N 2.86Å
342N86.5Confident78.4Confident123 Ų12386.6 Ų86.666%0.65847%0.466SS*.Hα-helixtrans-61.5-41178.5-133.1-54.8000112.2D338 A339 S346D338-N342 PolarHBondContact O-N 3.42Å; A339-N342 PolarHBondContact O-N 3.34Å; N342-S346 WeakPolarHBondContact O-CB 3.42Å; N342-S346 PolarHBondContact O-N 3.45Å
343F85.4Confident76.5Confident96 Ų9690.5 Ų90.542%0.42147%0.473SS..Hα-helixtrans-63.8-47.1176.9-172.9-99.2000111.7A329 A339 A340 A341 S346 E347A329-F343 HydrophobicContact CB-CD1 3.82Å; A339-F343 WeakPolarHBondContact O-CB 3.3Å; A339-F343 PolarHBondContact O-N 3.02Å; A340-F343 PolarHBondContact O-N 2.94Å; A341-F343 VanDerWaalsContact C-N 3.32Å; A341-F343 PolarHBondContact O-N 3.38Å; F343-S346 PolarHBondContact O-N 3.17Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.37Å; F343-E347 PolarHBondContact O-N 2.95Å
344L85.4Confident74.3Confident3 Ų398 Ų982%0.01652%0.518CS..Hα-helixtrans-64.6-40.6177.1-71.7165.1000112.9L316 F321 L325 V326 A329 A340 A341 S346 E347 S348L316-L344 HydrophobicContact CD2-CD1 3.51Å; F321-L344 HydrophobicContact CB-CD1 4.14Å; F321-L344 HydrophobicContact CD1-CB 3.82Å; F321-L344 HydrophobicContact CD1-CD1 4.49Å; F321-L344 HydrophobicContact CD1-CD2 4.38Å; F321-L344 HydrophobicContact CD1-CG 4.47Å; F321-L344 HydrophobicContact CD2-CB 4.29Å; F321-L344 HydrophobicContact CD2-CD1 4.12Å; F321-L344 HydrophobicContact CE1-CB 3.81Å; F321-L344 HydrophobicContact CE2-CB 4.28Å; F321-L344 HydrophobicContact CG-CB 4.08Å; F321-L344 HydrophobicContact CG-CD1 3.99Å; F321-L344 HydrophobicContact CG-CG 4.45Å; F321-L344 HydrophobicContact CZ-CB 4.06Å; L325-L344 HydrophobicContact CB-CD2 3.79Å; V326-L344 HydrophobicContact CB-CD1 4.38Å; V326-L344 HydrophobicContact CG2-CD1 3.87Å; A329-L344 HydrophobicContact CB-CD1 4.16Å; A329-L344 HydrophobicContact CB-CD2 3.88Å; A329-L344 HydrophobicContact CB-CG 3.72Å; A340-L344 WeakPolarHBondContact O-CB 3.38Å; A340-L344 WeakPolarHBondContact O-CD1 3.25Å; A340-L344 VanDerWaalsContact O-CG 3.25Å; A340-L344 WeakPolarHBondContact O-CG 3.43Å; A340-L344 PolarHBondContact O-N 2.99Å; A341-L344 PolarHBondContact O-N 2.91Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.47Å; L344-E347 PolarHBondContact O-N 2.88Å; L344-S348 VanDerWaalsContact O-CB 3.3Å; L344-S348 WeakPolarHBondContact O-CB 3.16Å; L344-S348 PolarHBondContact O-N 3.49Å; L344-S348 PolarHBondContact O-OG 3.46Å
345L82.6Confident73.7Confident97 Ų9793.7 Ų93.751%0.50850%0.501SS..Hα-helixtrans-63.2-34.6173.7-93.9119.3000111.7F321 A341 S348F321-L345 HydrophobicContact CE2-CD1 4.45Å; F321-L345 HydrophobicContact CZ-CD1 4.3Å; F321-L345 HydrophobicContact CZ-CG 4.04Å; A341-L345 WeakPolarHBondContact O-CB 3.43Å; A341-L345 WeakPolarHBondContact O-CD1 3.4Å; A341-L345 PolarHBondContact O-N 2.86Å; L345-S348 PolarHBondContact O-OG 3.33Å
346S80.8Confident73.1Confident70 Ų7093.1 Ų93.149%0.4950%0.503SS..Hα-helixtrans-74.6-43.1176.2-166.30000111.9N342 F343 L344 L349 D350N342-S346 WeakPolarHBondContact O-CB 3.42Å; N342-S346 PolarHBondContact O-N 3.45Å; F343-S346 PolarHBondContact O-N 3.17Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.47Å; S346-L349 PolarHBondContact O-N 3.31Å; S346-D350 PolarHBondContact O-N 3.4Å
347E73Confident72.3Confident95 Ų9593.6 Ų93.644%0.44451%0.506SS..Hα-helixtrans-70.4-39.5-177.7-133-164.9117.900111.9F343 L344 L349 D350 D351F343-E347 WeakPolarHBondContact CE1-OE2 3.37Å; F343-E347 PolarHBondContact O-N 2.95Å; L344-E347 PolarHBondContact O-N 2.88Å; E347-L349 PolarHBondContact O-N 2.65Å; E347-D350 PolarHBondContact O-N 2.95Å; E347-D351 PolarHBondContact O-N 3.36Å
348S65.9Low71.5Confident58 Ų5895.6 Ų95.641%0.40652%0.52SS..Hα-helixtrans-66.2-22.8175.652.60000113.7L344 L345L344-S348 VanDerWaalsContact O-CB 3.3Å; L344-S348 WeakPolarHBondContact O-CB 3.16Å; L344-S348 PolarHBondContact O-N 3.49Å; L344-S348 PolarHBondContact O-OG 3.46Å; L345-S348 PolarHBondContact O-OG 3.33Å
349L57.8Low70.5Confident136 Ų13693.6 Ų93.671%0.71251%0.51SS*.Hα-helixtrans-82.7-22176.3-142.576.6000112.9S346 E347S346-L349 PolarHBondContact O-N 3.31Å; E347-L349 PolarHBondContact O-N 2.65Å
350D55Low69.4Low110 Ų11097.4 Ų97.459%0.58852%0.523SS*.Hα-helixtrans-84.6-30.6176.6-103.4-90.9000112.1S346 E347 M353S346-D350 PolarHBondContact O-N 3.4Å; E347-D350 PolarHBondContact O-N 2.95Å; D350-M353 PolarHBondContact O-N 3.37Å
351D53.2Low68.1Low134 Ų134104.4 Ų104.472%0.71756%0.561SS**Hα-helixtrans-76.8-17.8-179.5-154.9-111.6000113.8E347 M353E347-D351 PolarHBondContact O-N 3.36Å; D351-M353 PolarHBondContact O-N 3.35Å
352E52Low66.7Low177 Ų177110.8 Ų110.883%0.82759%0.591SS**THydrogen-bonded Turntrans-80-2.4173.1-155.4-176.997.100112.9
353M48Very low65Low155 Ų155109.8 Ų109.876%0.76459%0.585SS**THydrogen-bonded Turntrans-105.915.2-177.2-131.7-159.8-40.700115.2D350 D351D350-M353 PolarHBondContact O-N 3.37Å; D351-M353 PolarHBondContact O-N 3.35Å
354V41.5Very low63.2Low187 Ų187111.1 Ų111.1100%1.13360%0.6SS**  trans-1140171.2-1780000109.8

Retrieved 354 of 354 residues in 93.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).