A0A087Y5V3_POEFO Loading...

V-type proton ATPase subunit a

Essential component of the vacuolar proton pump (V-ATPase), a multimeric enzyme that catalyzes the translocation of protons across the membranes. Required for assembly and activity of the V-ATPase.

AlphaFold DB , UniProt , Accession A0A087Y5V3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 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
1M39.7Very low74.9Confident229 Ų22960.5 Ų60.5100%1.12833%0.326SS*.  0-23.20-74.9-135.6-101.200113.7E3M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.21Å
2G46.1Very low76.4Confident70 Ų7055.8 Ų55.872%0.72230%0.3SS*.G310 helixtrans-65.7-29.317600000115.1
3E57.9Low77.5Confident101 Ų10151.5 Ų51.547%0.47228%0.277SS..G310 helixtrans-74.9-20.1-176.9-68.2-178.9151.700114.8M1 R6 E8 K366M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.21Å; E3-R6 VanDerWaalsContact O-O 3.09Å; E3-E8 WeakPolarHBondContact CB-OE1 3.45Å; E3-K366 VanDerWaalsContact CD-NZ 3.3Å; E3-K366 IonicContact OE1-NZ 2.62Å; E3-K366 PolarHBondContact OE1-NZ 3.27Å; E3-K366 WeakPolarHBondContact OE2-CD 3.45Å; E3-K366 IonicContact OE2-NZ 3.18Å; E3-K366 PolarHBondContact OE2-NZ 3.02Å
4L70.9Confident78.5Confident30 Ų3050.4 Ų50.416%0.15727%0.27CS..G310 helixtrans-86.1-14.2179.8-145.888000113.1R6 K366 T371 N390 P393L4-R6 VanDerWaalsContact C-N 3.32Å; L4-K366 WeakPolarHBondContact CD1-O 3.39Å; L4-T371 HydrophobicContact CD2-CG2 4.08Å; L4-N390 WeakPolarHBondContact O-CB 3.49Å; L4-P393 HydrophobicContact CB-CG 4.42Å; L4-P393 HydrophobicContact CD2-CG 3.98Å; L4-P393 HydrophobicContact CG-CG 4.42Å
5F82.1Confident79.3Confident59 Ų5947.1 Ų47.126%0.25925%0.252SS..SBendtrans-72.1-29.7-171.6-178.2-115000112.3I389 N390 Y394F5-I389 HydrophobicContact CD2-CG2 4.4Å; F5-I389 HydrophobicContact CE1-CD1 4.33Å; F5-I389 HydrophobicContact CE1-CG1 4.01Å; F5-I389 HydrophobicContact CE2-CG1 4.33Å; F5-I389 HydrophobicContact CE2-CG2 3.83Å; F5-I389 HydrophobicContact CZ-CD1 3.81Å; F5-I389 HydrophobicContact CZ-CG1 3.77Å; F5-I389 HydrophobicContact CZ-CG2 4.13Å; F5-I389 WeakPolarHBondContact O-CA 3.43Å; F5-N390 PolarHBondContact O-N 3.42Å; F5-Y394 HydrophobicContact CE2-CE2 4.35Å; F5-Y394 VanDerWaalsContact CE2-OH 3.28Å; F5-Y394 WeakPolarHBondContact CE2-OH 3.18Å
6R84.6Confident80Confident31 Ų3148.2 Ų48.212%0.11725%0.254CS..BIsolated β-bridgetrans-141.3167.5178.6-68.8176.3-174.7-104.10.9109E3 L4 R387 E388 I389 F558 Y562E3-R6 VanDerWaalsContact O-O 3.09Å; L4-R6 VanDerWaalsContact C-N 3.32Å; R6-R387 VanDerWaalsContact CD-NH2 3.34Å; R6-R387 PolarHBondContact NH1-O 3.2Å; R6-R387 VanDerWaalsContact NH1-O 3.08Å; R6-E388 WeakPolarHBondContact CA-O 3.32Å; R6-I389 HydrophobicContact CG-CG1 4.35Å; R6-F558 PolarHBondContact NH2-O 3.15Å; R6-Y562 VanDerWaalsContact CZ-CG 3.46Å; R6-Y562 VanDerWaalsContact NH2-CB 3.29Å
7S86.2Confident80.5Confident8 Ų845.4 Ų45.46%0.05624%0.239CC..PPolyproline II helixtrans-61.2149.7169.981.10000111.8Y364 N365 R387S7-Y364 WeakPolarHBondContact CA-O 3.41Å; S7-N365 WeakPolarHBondContact CA-OD1 3.38Å; S7-R387 VanDerWaalsContact OG-CA 3.3Å; S7-R387 WeakPolarHBondContact OG-CA 3.36Å; S7-R387 PolarHBondContact OG-N 2.89Å
8E87.6Confident80.9Confident15 Ų1546.1 Ų46.17%0.0724%0.241CC..PPolyproline II helixtrans-62.6153.8170.2-71.8-66.7165.400111.5E3 M10 Y364 K366 Y386E3-E8 WeakPolarHBondContact CB-OE1 3.45Å; E8-M10 PolarHBondContact O-N 2.97Å; E8-Y364 HydrophobicContact CB-CD1 3.94Å; E8-Y364 HydrophobicContact CG-CD1 3.83Å; E8-Y364 HydrophobicContact CG-CE1 4.34Å; E8-Y364 PolarHBondContact N-O 2.74Å; E8-K366 HydrophobicContact CG-CG 4.28Å; E8-K366 VanDerWaalsContact OE1-CE 3.28Å; E8-K366 WeakPolarHBondContact OE1-CE 3.38Å; E8-K366 IonicContact OE1-NZ 3Å; E8-Y386 WeakPolarHBondContact O-CE2 3.4Å
9E88.5Confident81Confident90 Ų9047.3 Ų47.342%0.42125%0.253SS..PPolyproline II helixtrans-77.2120.6174-67.9-170.8170.500110P326 V327 Y386 R387E9-P326 CarbonylContact O-C 3.55Å; E9-P326 WeakPolarHBondContact O-CA 3.4Å; E9-V327 HydrophobicContact CB-CB 4.33Å; E9-V327 HydrophobicContact CB-CG2 4.08Å; E9-V327 PolarHBondContact O-N 3.15Å; E9-Y386 WeakPolarHBondContact CA-OH 3.16Å; E9-R387 IonicContact OE1-CZ 3.79Å; E9-R387 IonicContact OE1-NH1 3.6Å; E9-R387 PolarHBondContact OE1-NH1 3.35Å
10M90.6Very high81.2Confident13 Ų1352 Ų526%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-100.5142.7176.6-72.7-65.6173.300110.8E8 W324 P326 P361 P362 Y364 Y386 F823E8-M10 PolarHBondContact O-N 2.97Å; M10-W324 HydrophobicContact CB-CE3 4.2Å; M10-P326 HydrophobicContact CE-CB 4.29Å; M10-P326 HydrophobicContact SD-CB 4.28Å; M10-P361 HydrophobicContact CB-CB 3.67Å; M10-P361 HydrophobicContact CG-CB 4.41Å; M10-P362 WeakPolarHBondContact CG-O 3.26Å; M10-Y364 HydrophobicContact CE-CD1 3.8Å; M10-Y364 HydrophobicContact CE-CG 3.74Å; M10-Y386 HydrophobicContact CB-CE2 3.9Å; M10-Y386 HydrophobicContact CG-CE2 4.13Å; M10-Y386 PolarHBondContact N-OH 3.21Å; M10-Y386 PolarHBondContact O-OH 3.41Å; M10-F823 HydrophobicContact CE-CB 4.44Å; M10-F823 HydrophobicContact CE-CD1 4.05Å; M10-F823 HydrophobicContact CE-CD2 3.75Å; M10-F823 HydrophobicContact CE-CE1 4.15Å; M10-F823 HydrophobicContact CE-CE2 3.89Å; M10-F823 HydrophobicContact CE-CG 3.82Å; M10-F823 HydrophobicContact CE-CZ 4.08Å; M10-F823 HydrophobicContact SD-CD2 4.42Å; M10-F823 HydrophobicContact SD-CE2 4.26Å
11T90.4Very high81.5Confident20 Ų2049.6 Ų49.612%0.12326%0.261CS..EExtended strand (participates in β ladder)trans-122.9142.1169.5-172.80000109.4C325 V327T11-C325 PolarHBondContact N-O 3.42Å; T11-C325 PolarHBondContact O-N 3.21Å; T11-V327 HydrophobicContact CG2-CG2 4Å
12L92.6Very high83.8Confident3 Ų338.8 Ų38.82%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-82.7118.9167.6-174.967.7000107.2E322 W324 M355 T357L12-E322 HydrophobicContact CD1-CB 4.25Å; L12-W324 HydrophobicContact CB-CE3 4.03Å; L12-W324 HydrophobicContact CB-CH2 3.95Å; L12-W324 HydrophobicContact CB-CZ2 4.45Å; L12-W324 HydrophobicContact CB-CZ3 3.7Å; L12-W324 HydrophobicContact CD1-CD2 4.03Å; L12-W324 HydrophobicContact CD1-CE3 4.35Å; L12-W324 HydrophobicContact CD1-CH2 4.45Å; L12-W324 HydrophobicContact CD1-CZ2 4.12Å; L12-M355 HydrophobicContact CD2-CB 4.38Å; L12-M355 HydrophobicContact CG-CB 4.5Å; L12-M355 PolarHBondContact O-N 3.3Å; L12-T357 HydrophobicContact CB-CG2 3.89Å; L12-T357 HydrophobicContact CD2-CG2 3.64Å; L12-T357 HydrophobicContact CG-CG2 4.41Å
13A90.6Very high85.9Confident0 Ų036.3 Ų36.30%018%0.178CC..EExtended strand (participates in β ladder)trans-116.7141.1176.500000110.6V323 L352 N353A13-V323 HydrophobicContact CB-CG2 4.18Å; A13-V323 PolarHBondContact N-O 2.98Å; A13-V323 WeakPolarHBondContact O-CG2 3.29Å; A13-V323 PolarHBondContact O-N 3.1Å; A13-L352 HydrophobicContact CB-CD1 3.53Å; A13-L352 HydrophobicContact CB-CG 4.13Å; A13-N353 CarbonylContact C-O 3.47Å; A13-N353 WeakPolarHBondContact CA-O 3.33Å
14Q91.5Very high87.4Confident37 Ų3731.9 Ų31.917%0.17316%0.158CC..EExtended strand (participates in β ladder)trans-100.2126.1174.6-165.317830.900108.9F16 I320 A321 E322 N353 M355Q14-F16 HydrophobicContact CG-CE2 4.05Å; Q14-F16 HydrophobicContact CG-CZ 4.16Å; Q14-I320 HydrophobicContact CG-CG2 3.82Å; Q14-I320 VanDerWaalsContact NE2-CG2 3.34Å; Q14-A321 CarbonylContact C-O 3.57Å; Q14-A321 WeakPolarHBondContact CA-O 3.44Å; Q14-E322 HydrophobicContact CG-CG 4.47Å; Q14-N353 HydrophobicContact CB-CB 4.42Å; Q14-N353 PolarHBondContact N-O 2.82Å; Q14-N353 PolarHBondContact O-N 2.91Å; Q14-M355 HydrophobicContact CB-CG 4.26Å; Q14-M355 HydrophobicContact CB-SD 4.05Å
15L90.3Very high88.3Confident0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-101.8130178.4-70.6170.2000109.5L17 L29 I320 A321 V323 L337 L352L15-L17 HydrophobicContact CB-CG 4.45Å; L15-L29 HydrophobicContact CD1-CD1 4.11Å; L15-I320 WeakPolarHBondContact O-CA 3.18Å; L15-A321 HydrophobicContact CB-CB 4.19Å; L15-A321 HydrophobicContact CD1-CB 4.45Å; L15-A321 PolarHBondContact N-O 3.43Å; L15-A321 PolarHBondContact O-N 3.21Å; L15-V323 HydrophobicContact CD1-CB 4.38Å; L15-V323 HydrophobicContact CD1-CG1 3.64Å; L15-V323 HydrophobicContact CD1-CG2 3.75Å; L15-V323 HydrophobicContact CG-CG2 3.99Å; L15-L337 HydrophobicContact CD2-CD1 3.52Å; L15-L337 HydrophobicContact CD2-CD2 4.23Å; L15-L337 HydrophobicContact CD2-CG 4.5Å; L15-L352 HydrophobicContact CD2-CB 4.4Å; L15-L352 HydrophobicContact CD2-CD1 3.33Å; L15-L352 HydrophobicContact CD2-CG 4.47Å; L15-L352 HydrophobicContact CG-CD1 4.03Å
16F89.8Confident88.7Confident65 Ų6527.7 Ų27.729%0.28514%0.138SC..EExtended strand (participates in β ladder)trans-107110.7167.2-64.9-87.2000108.9Q14 I320 I351Q14-F16 HydrophobicContact CG-CE2 4.05Å; Q14-F16 HydrophobicContact CG-CZ 4.16Å; F16-I320 HydrophobicContact CD1-CD1 4.48Å; F16-I320 HydrophobicContact CD1-CG1 3.98Å; F16-I320 HydrophobicContact CE1-CD1 3.93Å; F16-I320 HydrophobicContact CE1-CG1 3.87Å; F16-I320 HydrophobicContact CE1-CG2 4.5Å; F16-I351 HydrophobicContact CB-CB 4.34Å; F16-I351 HydrophobicContact CD2-CB 4.33Å; F16-I351 PolarHBondContact N-O 3.35Å; F16-I351 PolarHBondContact O-N 2.91Å
17L88.9Confident89Confident0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-114.1126.8-178.7-61174.6000109.6L15 A22 C25 V26 C318 L319 L337L15-L17 HydrophobicContact CB-CG 4.45Å; L17-A22 HydrophobicContact CB-CB 4.19Å; L17-C25 HydrophobicContact CD2-CB 3.7Å; L17-V26 HydrophobicContact CD1-CG2 4.08Å; L17-C318 CarbonylContact O-C 3.59Å; L17-C318 WeakPolarHBondContact O-CA 3.11Å; L17-L319 HydrophobicContact CB-CB 4.25Å; L17-L319 PolarHBondContact N-O 3.45Å; L17-L319 PolarHBondContact O-N 3.21Å; L17-L337 HydrophobicContact CD2-CD2 3.96Å
18Q87.8Confident89.1Confident58 Ų5826.8 Ų26.827%0.27114%0.136SC..EExtended strand (participates in β ladder)trans-70.7144.1170.8-166.3179.66.300110E20 A21 A22 S346Q18-E20 PolarHBondContact O-N 3.16Å; Q18-E20 VanDerWaalsContact O-N 3.11Å; Q18-A21 PolarHBondContact O-N 2.7Å; Q18-A22 WeakPolarHBondContact O-CB 3.4Å; Q18-A22 PolarHBondContact O-N 3.42Å; Q18-S346 PolarHBondContact OE1-OG 3.28Å
19S84Confident89.1Confident69 Ų6926.2 Ų26.248%0.48313%0.133SC..THydrogen-bonded Turntrans-53.6-35.6-176.559.70000114.7K317S19-K317 PolarHBondContact N-O 3.11Å
20E84.8Confident89.1Confident141 Ų14122 Ų2266%0.65911%0.114SC*.THydrogen-bonded Turntrans-75.8-34.1-179.8-62.9-178.3173.300112.8Q18Q18-E20 PolarHBondContact O-N 3.16Å; Q18-E20 VanDerWaalsContact O-N 3.11Å
21A87.3Confident88.9Confident2 Ų225.3 Ų25.32%0.01713%0.129CC..THydrogen-bonded Turntrans-88.5-19.4-179.700000112.9Q18 Y23 C24 C25 S344Q18-A21 PolarHBondContact O-N 2.7Å; A21-Y23 VanDerWaalsContact C-N 3.32Å; A21-Y23 PolarHBondContact O-N 3.46Å; A21-C24 PolarHBondContact O-N 3.04Å; A21-C24 VanDerWaalsContact O-N 3.1Å; A21-C25 PolarHBondContact O-N 2.93Å; A21-C25 PolarHBondContact O-SG 3.38Å; A21-C25 VanDerWaalsContact O-SG 3.33Å; A21-S344 WeakPolarHBondContact CB-OG 3.26Å
22A87.7Confident88.7Confident3 Ų327 Ų273%0.02514%0.137CC..Hα-helixtrans-54.9-43.8-170.900000113.5L17 Q18 C24 C25 V26 L307 L319L17-A22 HydrophobicContact CB-CB 4.19Å; Q18-A22 WeakPolarHBondContact O-CB 3.4Å; Q18-A22 PolarHBondContact O-N 3.42Å; A22-C24 PolarHBondContact O-N 3.25Å; A22-C25 PolarHBondContact O-N 3.2Å; A22-V26 WeakPolarHBondContact O-CB 3.48Å; A22-V26 VanDerWaalsContact O-CG2 3.24Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3Å; A22-L307 HydrophobicContact CB-CD2 4.02Å; A22-L319 HydrophobicContact CB-CD1 3.5Å; A22-L319 VanDerWaalsContact CB-CD1 3.5Å
23Y90.3Very high88.3Confident18 Ų1827.2 Ų27.27%0.07114%0.139CC..Hα-helixtrans-61.7-46.5178.8-170.7-88.8000112.1A21 S27 V88 P89 P91 M300 I303 Y304 L307A21-Y23 VanDerWaalsContact C-N 3.32Å; A21-Y23 PolarHBondContact O-N 3.46Å; Y23-S27 PolarHBondContact O-N 2.65Å; Y23-S27 PolarHBondContact O-OG 2.87Å; Y23-V88 HydrophobicContact CE1-CG1 3.96Å; Y23-P89 WeakPolarHBondContact CE1-O 3.47Å; Y23-P91 HydrophobicContact CD1-CG 3.71Å; Y23-P91 HydrophobicContact CD2-CG 3.98Å; Y23-P91 HydrophobicContact CE1-CG 4Å; Y23-P91 HydrophobicContact CE2-CG 4.26Å; Y23-P91 HydrophobicContact CG-CG 3.7Å; Y23-M300 WeakPolarHBondContact OH-CE 3.3Å; Y23-M300 VanDerWaalsContact OH-CG 3.31Å; Y23-M300 WeakPolarHBondContact OH-CG 3.49Å; Y23-I303 HydrophobicContact CD2-CG2 3.61Å; Y23-I303 HydrophobicContact CE1-CD1 4.33Å; Y23-I303 HydrophobicContact CE2-CB 4.14Å; Y23-I303 HydrophobicContact CE2-CD1 4.33Å; Y23-I303 HydrophobicContact CE2-CG2 3.6Å; Y23-I303 HydrophobicContact CG-CG2 4.28Å; Y23-Y304 AromaticContact CD2-CE1 3.94Å; Y23-Y304 HydrophobicContact CD2-CE1 3.94Å; Y23-Y304 HydrophobicContact CE2-CD2 4.47Å; Y23-Y304 AromaticContact CE2-CE1 3.92Å; Y23-Y304 HydrophobicContact CE2-CE1 3.92Å; Y23-Y304 AromaticContact CE2-CE2 3.89Å; Y23-Y304 HydrophobicContact CE2-CE2 3.89Å; Y23-Y304 AromaticContact CE2-CZ 3.58Å; Y23-L307 HydrophobicContact CD2-CD1 4.36Å
24C89.4Confident88Confident8 Ų829 Ų295%0.05415%0.148CC..Hα-helixtrans-70.5-38-179.3-610000111.8A21 A22 S27 E28 G340A21-C24 PolarHBondContact O-N 3.04Å; A21-C24 VanDerWaalsContact O-N 3.1Å; A22-C24 PolarHBondContact O-N 3.25Å; C24-S27 WeakPolarHBondContact CA-OG 3.42Å; C24-S27 PolarHBondContact O-N 3Å; C24-S27 PolarHBondContact O-OG 3.35Å; C24-E28 VanDerWaalsContact O-CG 3.26Å; C24-E28 WeakPolarHBondContact O-CG 3.21Å; C24-E28 PolarHBondContact O-N 3.16Å; C24-E28 VanDerWaalsContact O-N 3.07Å; C24-G340 WeakPolarHBondContact CB-O 3.41Å
25C89.2Confident87.9Confident0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-65-46.5175.4-67.90000111.2L17 A21 A22 S27 E28 L29 L337L17-C25 HydrophobicContact CD2-CB 3.7Å; A21-C25 PolarHBondContact O-N 2.93Å; A21-C25 PolarHBondContact O-SG 3.38Å; A21-C25 VanDerWaalsContact O-SG 3.33Å; A22-C25 PolarHBondContact O-N 3.2Å; C25-S27 VanDerWaalsContact C-N 3.33Å; C25-S27 PolarHBondContact O-N 3.43Å; C25-E28 PolarHBondContact O-N 3.47Å; C25-L29 WeakPolarHBondContact O-CB 3.36Å; C25-L29 VanDerWaalsContact O-CG 3.25Å; C25-L29 WeakPolarHBondContact O-CG 3.24Å; C25-L29 PolarHBondContact O-N 3.33Å; C25-L337 HydrophobicContact CB-CD2 4.06Å
26V90.5Very high88Confident0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-66.9-34.7178.6175.90000111.4L17 A22 L29 G30 F37 I303 T306 L307 F826L17-V26 HydrophobicContact CD1-CG2 4.08Å; A22-V26 WeakPolarHBondContact O-CB 3.48Å; A22-V26 VanDerWaalsContact O-CG2 3.24Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3Å; V26-L29 PolarHBondContact O-N 3.07Å; V26-G30 PolarHBondContact O-N 3.15Å; V26-F37 HydrophobicContact CG2-CZ 4.46Å; V26-I303 HydrophobicContact CB-CG2 4.13Å; V26-I303 HydrophobicContact CG1-CB 4.4Å; V26-I303 HydrophobicContact CG1-CG1 4.36Å; V26-I303 HydrophobicContact CG1-CG2 3.88Å; V26-T306 WeakPolarHBondContact CG1-OG1 3.41Å; V26-L307 HydrophobicContact CG2-CD2 3.91Å; V26-L307 HydrophobicContact CG2-CG 4.46Å; V26-F826 HydrophobicContact CG1-CE1 3.93Å; V26-F826 HydrophobicContact CG1-CZ 4.42Å
27S90.6Very high88.1Confident14 Ų1427.4 Ų27.410%0.09814%0.142CC..Hα-helixtrans-62.4-44.5172.762.90000112Y23 C24 C25 L29 G30 E31 F828Y23-S27 PolarHBondContact O-N 2.65Å; Y23-S27 PolarHBondContact O-OG 2.87Å; C24-S27 WeakPolarHBondContact CA-OG 3.42Å; C24-S27 PolarHBondContact O-N 3Å; C24-S27 PolarHBondContact O-OG 3.35Å; C25-S27 VanDerWaalsContact C-N 3.33Å; C25-S27 PolarHBondContact O-N 3.43Å; S27-L29 PolarHBondContact O-N 3.04Å; S27-G30 PolarHBondContact O-N 3.39Å; S27-E31 WeakPolarHBondContact O-CG 3.45Å; S27-E31 PolarHBondContact O-N 3.26Å; S27-F828 WeakPolarHBondContact O-CE2 3.17Å
28E88.4Confident88.1Confident7 Ų730.7 Ų30.73%0.03315%0.154CC..Hα-helixtrans-67.6-36.6178.3-69.1-68.9-178.600112.4C24 C25 G30 E31 I32 A336 R339 K343C24-E28 VanDerWaalsContact O-CG 3.26Å; C24-E28 WeakPolarHBondContact O-CG 3.21Å; C24-E28 PolarHBondContact O-N 3.16Å; C24-E28 VanDerWaalsContact O-N 3.07Å; C25-E28 PolarHBondContact O-N 3.47Å; E28-G30 VanDerWaalsContact C-N 3.32Å; E28-E31 PolarHBondContact O-N 3.1Å; E28-I32 PolarHBondContact O-N 3.23Å; E28-I32 VanDerWaalsContact O-N 3.14Å; E28-A336 HydrophobicContact CB-CB 4.21Å; E28-R339 VanDerWaalsContact CD-NE 3.32Å; E28-R339 IonicContact OE1-NE 3.58Å; E28-R339 PolarHBondContact OE1-NE 3.13Å; E28-R339 IonicContact OE2-CZ 3.88Å; E28-R339 IonicContact OE2-NE 2.89Å; E28-R339 PolarHBondContact OE2-NE 3.49Å; E28-R339 IonicContact OE2-NH2 3.83Å; E28-R339 PolarHBondContact OE2-NH2 3.26Å; E28-K343 WeakPolarHBondContact OE1-CD 3.33Å; E28-K343 VanDerWaalsContact OE1-CE 3.26Å; E28-K343 WeakPolarHBondContact OE1-CE 3.48Å; E28-K343 IonicContact OE1-NZ 2.64Å; E28-K343 PolarHBondContact OE1-NZ 3.29Å
29L88.8Confident88.2Confident2 Ų230.6 Ų30.61%0.0116%0.156CC..Hα-helixtrans-63.5-37.8172.4-71.8173.6000112.1L15 C25 V26 S27 I32 G33 V35 F37 I333 L337L15-L29 HydrophobicContact CD1-CD1 4.11Å; C25-L29 WeakPolarHBondContact O-CB 3.36Å; C25-L29 VanDerWaalsContact O-CG 3.25Å; C25-L29 WeakPolarHBondContact O-CG 3.24Å; C25-L29 PolarHBondContact O-N 3.33Å; V26-L29 PolarHBondContact O-N 3.07Å; S27-L29 PolarHBondContact O-N 3.04Å; L29-I32 PolarHBondContact O-N 2.91Å; L29-G33 PolarHBondContact O-N 2.97Å; L29-V35 HydrophobicContact CB-CG2 4.06Å; L29-V35 HydrophobicContact CD2-CG1 4.22Å; L29-V35 HydrophobicContact CD2-CG2 4.37Å; L29-F37 HydrophobicContact CD1-CZ 4.23Å; L29-I333 HydrophobicContact CD2-CG2 3.74Å; L29-L337 HydrophobicContact CD1-CD2 4.02Å; L29-L337 HydrophobicContact CD2-CD2 4.3Å; L29-L337 HydrophobicContact CD2-CG 4.31Å; L29-L337 HydrophobicContact CG-CD2 4.25Å
30G87.3Confident88.3Confident1 Ų129 Ų291%0.0114%0.141CC..Hα-helixtrans-71.1-30.1176.700000114.3V26 S27 E28 F828V26-G30 PolarHBondContact O-N 3.15Å; S27-G30 PolarHBondContact O-N 3.39Å; E28-G30 VanDerWaalsContact C-N 3.32Å; G30-F828 VanDerWaalsContact C-CD2 3.43Å; G30-F828 VanDerWaalsContact C-CE2 3.47Å; G30-F828 WeakPolarHBondContact O-CD2 3.4Å; G30-F828 PolarHBondContact O-N 3.34Å
31E86.8Confident88.3Confident84 Ų8423.8 Ų23.839%0.39312%0.118SC..Hα-helixtrans-73-34.3172.3-67.6-63162.300111.9S27 E28 K299 F828S27-E31 WeakPolarHBondContact O-CG 3.45Å; S27-E31 PolarHBondContact O-N 3.26Å; E28-E31 PolarHBondContact O-N 3.1Å; E31-K299 IonicContact OE1-NZ 2.61Å; E31-K299 PolarHBondContact OE1-NZ 3.32Å; E31-K299 IonicContact OE2-NZ 3.09Å; E31-F828 HydrophobicContact CG-CD2 4.02Å; E31-F828 HydrophobicContact CG-CE2 3.92Å; E31-F828 WeakPolarHBondContact OE1-CD2 3.36Å
32I86Confident88.2Confident56 Ų5628.2 Ų28.229%0.28715%0.146SC..Hα-helixtrans-73.4-44.1173.7-74-167.9000111.5E28 L29 M34 A336E28-I32 PolarHBondContact O-N 3.23Å; E28-I32 VanDerWaalsContact O-N 3.14Å; L29-I32 PolarHBondContact O-N 2.91Å; I32-M34 HydrophobicContact CG2-CB 3.88Å; I32-M34 HydrophobicContact CG2-CG 3.56Å; I32-A336 HydrophobicContact CD1-CB 3.32Å; I32-A336 HydrophobicContact CG1-CB 4.19Å
33G83.8Confident88.1Confident6 Ų635.4 Ų35.46%0.06218%0.184CC..THydrogen-bonded Turntrans73.139173.600000115.9L29 P825 F826 T827L29-G33 PolarHBondContact O-N 2.97Å; G33-P825 WeakPolarHBondContact O-CB 3.24Å; G33-F826 WeakPolarHBondContact CA-O 3.31Å; G33-T827 WeakPolarHBondContact O-CG2 3.37Å
34M85.1Confident87.9Confident38 Ų3837 Ų3719%0.18720%0.196CC..  trans-126.310.6-174.5-60.9-64.2-113.900114.1I32 P326 D329I32-M34 HydrophobicContact CG2-CB 3.88Å; I32-M34 HydrophobicContact CG2-CG 3.56Å; M34-P326 WeakPolarHBondContact O-CD 3.48Å; M34-D329 VanDerWaalsContact CE-OD2 3.32Å; M34-D329 WeakPolarHBondContact CE-OD2 3.24Å
35V90.1Very high87.8Confident1 Ų141.9 Ų41.91%0.00622%0.221CC..  trans-119.8135.8179.8-65.70000110.4L29 F37 V323 W324 C325 I333 P825 F826L29-V35 HydrophobicContact CB-CG2 4.06Å; L29-V35 HydrophobicContact CD2-CG1 4.22Å; L29-V35 HydrophobicContact CD2-CG2 4.37Å; V35-F37 HydrophobicContact CG2-CD2 4.48Å; V35-F37 HydrophobicContact CG2-CE2 3.85Å; V35-F37 HydrophobicContact CG2-CZ 4.36Å; V35-V323 HydrophobicContact CB-CB 4.23Å; V35-V323 HydrophobicContact CB-CG1 4.36Å; V35-V323 HydrophobicContact CG1-CG2 4.42Å; V35-W324 WeakPolarHBondContact CA-O 3.4Å; V35-C325 HydrophobicContact CG1-CB 4.3Å; V35-I333 HydrophobicContact CG1-CD1 3.74Å; V35-I333 HydrophobicContact CG1-CG1 4.26Å; V35-I333 HydrophobicContact CG1-CG2 4.3Å; V35-P825 WeakPolarHBondContact O-CA 3.39Å; V35-F826 WeakPolarHBondContact O-CB 3.48Å; V35-F826 PolarHBondContact O-N 3.11Å
36Q91.8Very high87.4Confident47 Ų4746.4 Ų46.422%0.2225%0.249CC..EExtended strand (participates in β ladder)trans-110.4115.4169.5178.9174.50.400108.8V323 W324 F823 L824Q36-V323 CarbonylContact O-C 3.57Å; Q36-V323 VanDerWaalsContact O-CA 3.28Å; Q36-V323 WeakPolarHBondContact O-CA 3.41Å; Q36-W324 HydrophobicContact CB-CB 4.33Å; Q36-W324 PolarHBondContact N-O 3.09Å; Q36-W324 PolarHBondContact O-N 3.21Å; Q36-F823 HydrophobicContact CB-CD2 3.97Å; Q36-F823 HydrophobicContact CB-CE2 3.53Å; Q36-F823 HydrophobicContact CB-CZ 4.35Å; Q36-L824 WeakPolarHBondContact CG-O 3.35Å
37F91.3Very high87Confident21 Ų2155 Ų559%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-72.5135.2177.7-71.7-91000110.7V26 L29 V35 T306 L309 A321 V323 F826V26-F37 HydrophobicContact CG2-CZ 4.46Å; L29-F37 HydrophobicContact CD1-CZ 4.23Å; V35-F37 HydrophobicContact CG2-CD2 4.48Å; V35-F37 HydrophobicContact CG2-CE2 3.85Å; V35-F37 HydrophobicContact CG2-CZ 4.36Å; F37-T306 HydrophobicContact CD2-CG2 4.04Å; F37-T306 HydrophobicContact CE2-CG2 4.34Å; F37-L309 HydrophobicContact CB-CD2 4.2Å; F37-A321 HydrophobicContact CD1-CB 4.07Å; F37-A321 HydrophobicContact CE1-CB 3.96Å; F37-V323 HydrophobicContact CD1-CG1 3.6Å; F37-V323 HydrophobicContact CE1-CG1 3.71Å; F37-V323 HydrophobicContact CG-CG1 4.04Å; F37-V323 HydrophobicContact CZ-CG1 4.24Å; F37-F826 HydrophobicContact CD2-CB 4.07Å; F37-F826 HydrophobicContact CD2-CG 4.36Å; F37-F826 HydrophobicContact CE2-CB 4.19Å; F37-F826 AromaticContact CE2-CD1 3.98Å; F37-F826 HydrophobicContact CE2-CD1 3.98Å; F37-F826 HydrophobicContact CE2-CG 4.22Å
38R89.6Confident86.6Confident68 Ų6861 Ų6126%0.25731%0.313SS..PPolyproline II helixtrans-89.3145.2166.2-158.9177.781.6-150.1-9109.1L40 E322 Q359R38-L40 PolarHBondContact O-N 2.86Å; R38-E322 HydrophobicContact CB-CB 4.39Å; R38-E322 IonicContact CZ-OE1 2.81Å; R38-E322 IonicContact CZ-OE2 3.91Å; R38-E322 PolarHBondContact N-O 2.91Å; R38-E322 IonicContact NE-OE2 3.96Å; R38-E322 IonicContact NH1-OE2 2.76Å; R38-E322 PolarHBondContact NH1-OE2 2.92Å; R38-E322 IonicContact NH2-OE1 2.95Å; R38-E322 PolarHBondContact NH2-OE1 3.38Å; R38-E322 IonicContact NH2-OE2 2.68Å; R38-E322 PolarHBondContact NH2-OE2 3.04Å; R38-Q359 VanDerWaalsContact NH1-OE1 3.1Å
39D88.8Confident86.5Confident57 Ų5762.1 Ų62.131%0.30532%0.317SS..PPolyproline II helixtrans-74118.2168.4-158.6-20.6000108.9N41 R49 L309D39-N41 PolarHBondContact OD1-N 3.05Å; D39-R49 IonicContact OD1-CZ 2.87Å; D39-R49 IonicContact OD1-NH1 3.44Å; D39-R49 IonicContact OD1-NH2 3.01Å; D39-R49 PolarHBondContact OD1-NH2 3.06Å; D39-R49 IonicContact OD2-CZ 2.85Å; D39-R49 IonicContact OD2-NH1 2.93Å; D39-R49 PolarHBondContact OD2-NH1 2.77Å; D39-R49 IonicContact OD2-NH2 3.68Å; D39-R49 PolarHBondContact OD2-NH2 3.39Å; D39-L309 HydrophobicContact CB-CD2 4.43Å; D39-L309 HydrophobicContact CB-CG 4.42Å
40L87.1Confident86.2Confident35 Ų3569 Ų6918%0.18335%0.347CS..SBendtrans-88.5-9.9172.6-75.599.7000112.7R38 P42 L309 N311 E322R38-L40 PolarHBondContact O-N 2.86Å; L40-P42 VanDerWaalsContact O-CD 3.31Å; L40-P42 WeakPolarHBondContact O-CD 3.32Å; L40-L309 PolarHBondContact N-O 3.4Å; L40-N311 HydrophobicContact CB-CB 3.92Å; L40-N311 HydrophobicContact CD2-CB 3.96Å; L40-N311 HydrophobicContact CG-CB 4.46Å; L40-E322 HydrophobicContact CD1-CB 4.16Å; L40-E322 HydrophobicContact CD1-CG 4.47Å; L40-E322 HydrophobicContact CD2-CG 4.2Å
41N85.3Confident86.1Confident31 Ų3170.9 Ų70.917%0.16636%0.355CS..  trans-122.760.2-173.2-52.7-43.3000111.4D39 D43 V44 R49 C310D39-N41 PolarHBondContact OD1-N 3.05Å; N41-D43 VanDerWaalsContact C-N 3.33Å; N41-D43 PolarHBondContact O-N 3.39Å; N41-V44 HydrophobicContact CB-CB 4.15Å; N41-V44 HydrophobicContact CB-CG2 4.14Å; N41-V44 PolarHBondContact O-N 2.87Å; N41-R49 PolarHBondContact O-NH2 2.99Å; N41-C310 PolarHBondContact ND2-O 2.91Å
42P83.6Confident86.2Confident95 Ų9568.5 Ų68.562%0.61735%0.346SS*.THydrogen-bonded Turntrans-67.1-33.4-177.928.2-34.4000112.6L40 V44L40-P42 VanDerWaalsContact O-CD 3.31Å; L40-P42 WeakPolarHBondContact O-CD 3.32Å; P42-V44 VanDerWaalsContact C-N 3.26Å; P42-V44 PolarHBondContact O-N 2.96Å
43D86.3Confident86.4Confident154 Ų15471.3 Ų71.382%0.82436%0.362SS*.THydrogen-bonded Turntrans-81.8-6.4-176.4-55.3-43.1000113.2N41N41-D43 VanDerWaalsContact C-N 3.33Å; N41-D43 PolarHBondContact O-N 3.39Å
44V86.4Confident86.6Confident51 Ų5173.6 Ų73.631%0.30937%0.371SS..SBendtrans-99.8120.2-176.4-175.40000110.2N41 P42 Q48 R49N41-V44 HydrophobicContact CB-CB 4.15Å; N41-V44 HydrophobicContact CB-CG2 4.14Å; N41-V44 PolarHBondContact O-N 2.87Å; P42-V44 VanDerWaalsContact C-N 3.26Å; P42-V44 PolarHBondContact O-N 2.96Å; V44-Q48 HydrophobicContact CG1-CB 3.62Å; V44-R49 HydrophobicContact CG1-CG 4.3Å
45N86.3Confident86.8Confident111 Ų11172.9 Ų72.959%0.59437%0.368SS*.  trans-59.6147.3175-77.8-30.6000111.7F47 Q48N45-F47 PolarHBondContact O-N 3.44Å; N45-Q48 PolarHBondContact O-N 3.05Å
46V81.5Confident86.9Confident96 Ų9681.3 Ų81.358%0.58240%0.4SS*.G310 helixtrans-51.5-35-178.1-178.10000113.2Q48 R49V46-Q48 PolarHBondContact O-N 3.04Å; V46-R49 PolarHBondContact O-N 3.48Å
47F81.9Confident86.8Confident181 Ų18182.9 Ų82.979%0.79440%0.404SS*.G310 helixtrans-72.8-22.8179.6-63.7-72.7000115.1N45 R49N45-F47 PolarHBondContact O-N 3.44Å; F47-R49 VanDerWaalsContact C-N 3.33Å
48Q83.4Confident86.7Confident139 Ų13981.9 Ų81.965%0.6540%0.4SS*.G310 helixtrans-87.2-9.9-179.9-68.3172.6-17.100111.8V44 N45 V46V44-Q48 HydrophobicContact CG1-CB 3.62Å; N45-Q48 PolarHBondContact O-N 3.05Å; V46-Q48 PolarHBondContact O-N 3.04Å
49R84.6Confident86.7Confident31 Ų3183.6 Ų83.612%0.11741%0.411CS..SBendtrans-70145.7178.1-59.6-173.8178.1-163.50.5110.9D39 N41 V44 V46 F47 F51 V52 N308D39-R49 IonicContact OD1-CZ 2.87Å; D39-R49 IonicContact OD1-NH1 3.44Å; D39-R49 IonicContact OD1-NH2 3.01Å; D39-R49 PolarHBondContact OD1-NH2 3.06Å; D39-R49 IonicContact OD2-CZ 2.85Å; D39-R49 IonicContact OD2-NH1 2.93Å; D39-R49 PolarHBondContact OD2-NH1 2.77Å; D39-R49 IonicContact OD2-NH2 3.68Å; D39-R49 PolarHBondContact OD2-NH2 3.39Å; N41-R49 PolarHBondContact O-NH2 2.99Å; V44-R49 HydrophobicContact CG1-CG 4.3Å; V46-R49 PolarHBondContact O-N 3.48Å; F47-R49 VanDerWaalsContact C-N 3.33Å; R49-F51 PolarHBondContact O-N 3.43Å; R49-V52 WeakPolarHBondContact O-CG1 3.29Å; R49-V52 PolarHBondContact O-N 2.83Å; R49-N308 HydrophobicContact CB-CB 4.33Å; R49-N308 WeakPolarHBondContact CD-O 3.48Å; R49-N308 PolarHBondContact NH1-O 3.45Å
50K82.9Confident86.9Confident146 Ų14684.9 Ų84.964%0.63542%0.415SS*.THydrogen-bonded Turntrans-63-42-168.8-177.763.1-179-1780113.8V52 I312K50-V52 VanDerWaalsContact C-N 3.32Å; K50-V52 PolarHBondContact O-N 3.37Å; K50-I312 HydrophobicContact CB-CD1 3.46Å; K50-I312 VanDerWaalsContact CB-CD1 3.46Å; K50-I312 HydrophobicContact CG-CD1 3.89Å
51F86.2Confident87Confident41 Ų4183.4 Ų83.418%0.1841%0.407CS..THydrogen-bonded Turntrans-93.422-173.2-57.8-79.2000113.6R49 N53 E54 V55 Y304 L307 N308R49-F51 PolarHBondContact O-N 3.43Å; F51-N53 VanDerWaalsContact C-N 3.31Å; F51-N53 PolarHBondContact O-N 3.42Å; F51-E54 WeakPolarHBondContact CA-OE2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.37Å; F51-V55 VanDerWaalsContact O-N 3.17Å; F51-Y304 HydrophobicContact CB-CD1 4.39Å; F51-Y304 HydrophobicContact CD1-CD1 4.23Å; F51-L307 HydrophobicContact CD2-CB 3.76Å; F51-L307 HydrophobicContact CE2-CB 3.88Å; F51-L307 HydrophobicContact CG-CB 4.42Å; F51-N308 WeakPolarHBondContact CA-OD1 2.96Å; F51-N308 VanDerWaalsContact CB-OD1 3.27Å; F51-N308 WeakPolarHBondContact CB-OD1 3.44Å; F51-N308 PolarHBondContact N-OD1 3.43Å
52V89.4Confident87.2Confident33 Ų3382.3 Ų82.320%0.240%0.401CS..Hα-helixtrans-65.7-34.5-178.968.60000112.3R49 K50 V55 R56R49-V52 WeakPolarHBondContact O-CG1 3.29Å; R49-V52 PolarHBondContact O-N 2.83Å; K50-V52 VanDerWaalsContact C-N 3.32Å; K50-V52 PolarHBondContact O-N 3.37Å; V52-V55 PolarHBondContact O-N 3.07Å; V52-R56 WeakPolarHBondContact O-CB 3.22Å; V52-R56 PolarHBondContact O-N 3.26Å
53N89.6Confident87.7Confident116 Ų11684.8 Ų84.862%0.6240%0.398SS*.Hα-helixtrans-67.2-41.5-178.9-69.8-31.3000110.9F51 R56 R57F51-N53 VanDerWaalsContact C-N 3.31Å; F51-N53 PolarHBondContact O-N 3.42Å; N53-R56 PolarHBondContact O-N 3.01Å; N53-R57 WeakPolarHBondContact O-CB 3.4Å; N53-R57 PolarHBondContact O-N 3.09Å
54E88.6Confident87.9Confident54 Ų5478.2 Ų78.225%0.25236%0.362SS..Hα-helixtrans-66.5-42.3177.2-63.883.8169.400111.2F51 R57 C58 Y304F51-E54 WeakPolarHBondContact CA-OE2 3.27Å; E54-R57 WeakPolarHBondContact O-CB 3.42Å; E54-R57 PolarHBondContact O-N 3.41Å; E54-C58 PolarHBondContact O-N 2.94Å; E54-C58 PolarHBondContact O-SG 3.46Å; E54-Y304 HydrophobicContact CB-CD1 3.88Å; E54-Y304 HydrophobicContact CB-CD2 4.01Å; E54-Y304 HydrophobicContact CB-CE1 3.99Å; E54-Y304 HydrophobicContact CB-CE2 4.11Å; E54-Y304 HydrophobicContact CB-CG 3.9Å; E54-Y304 HydrophobicContact CG-CD1 4.34Å; E54-Y304 HydrophobicContact CG-CE1 4.06Å
55V89.3Confident88.1Confident22 Ų2275.9 Ų75.913%0.13335%0.348CS..Hα-helixtrans-61.2-45.6174.3174.30000111F51 V52 R57 C58 E59F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.37Å; F51-V55 VanDerWaalsContact O-N 3.17Å; V52-V55 PolarHBondContact O-N 3.07Å; V55-R57 VanDerWaalsContact C-N 3.27Å; V55-R57 PolarHBondContact O-N 3.49Å; V55-C58 PolarHBondContact O-N 2.94Å; V55-E59 WeakPolarHBondContact O-CB 3.46Å; V55-E59 PolarHBondContact O-N 2.76Å
56R90.4Very high88.3Confident179 Ų17976 Ų7668%0.67534%0.34SS*.Hα-helixtrans-61.2-38.3177.1-176.2179.5175.4-172.3-1.2111.7V52 N53 E59 E60V52-R56 WeakPolarHBondContact O-CB 3.22Å; V52-R56 PolarHBondContact O-N 3.26Å; N53-R56 PolarHBondContact O-N 3.01Å; R56-E59 PolarHBondContact O-N 2.78Å; R56-E60 PolarHBondContact O-N 2.92Å
57R90.5Very high88.7Confident80 Ų8074.1 Ų74.130%0.30232%0.324SS..Hα-helixtrans-65.9-45.1176.9-155.1174.366.8168.2-13.3111.4N53 E54 V55 E59 E60 M61 M94 E98N53-R57 WeakPolarHBondContact O-CB 3.4Å; N53-R57 PolarHBondContact O-N 3.09Å; E54-R57 WeakPolarHBondContact O-CB 3.42Å; E54-R57 PolarHBondContact O-N 3.41Å; V55-R57 VanDerWaalsContact C-N 3.27Å; V55-R57 PolarHBondContact O-N 3.49Å; R57-E59 VanDerWaalsContact C-N 3.32Å; R57-E59 PolarHBondContact O-N 3.5Å; R57-E60 PolarHBondContact O-N 3.17Å; R57-M61 WeakPolarHBondContact O-CG 3.29Å; R57-M61 PolarHBondContact O-N 3.38Å; R57-M94 HydrophobicContact CB-CE 3.93Å; R57-M94 HydrophobicContact CG-CE 4.13Å; R57-M94 PolarHBondContact NH2-SD 3.43Å; R57-E98 VanDerWaalsContact CD-CD 3.44Å; R57-E98 WeakPolarHBondContact CD-OE1 3.37Å; R57-E98 VanDerWaalsContact CD-OE2 3.29Å; R57-E98 WeakPolarHBondContact CD-OE2 3.27Å; R57-E98 WeakPolarHBondContact CG-OE1 3.44Å; R57-E98 IonicContact CZ-OE1 3.18Å; R57-E98 IonicContact CZ-OE2 3.83Å; R57-E98 IonicContact NE-OE1 2.7Å; R57-E98 PolarHBondContact NE-OE1 3.39Å; R57-E98 IonicContact NE-OE2 3.78Å; R57-E98 IonicContact NH1-OE1 3.69Å; R57-E98 IonicContact NH1-OE2 3.57Å; R57-E98 IonicContact NH2-OE1 3.85Å
58C89.6Confident89.1Confident0 Ų065.7 Ų65.70%029%0.287CS..Hα-helixtrans-60-40171.7-71.50000112.5E54 V55 M61 D62 M94 V297 K301E54-C58 PolarHBondContact O-N 2.94Å; E54-C58 PolarHBondContact O-SG 3.46Å; V55-C58 PolarHBondContact O-N 2.94Å; C58-M61 WeakPolarHBondContact O-CB 3.48Å; C58-M61 PolarHBondContact O-N 3.47Å; C58-D62 PolarHBondContact O-N 3.38Å; C58-M94 HydrophobicContact CB-CE 4.42Å; C58-M94 WeakPolarHBondContact SG-CE 3.49Å; C58-V297 HydrophobicContact CB-CG1 4.48Å; C58-V297 VanDerWaalsContact O-CG1 3.3Å; C58-V297 WeakPolarHBondContact O-CG1 3.35Å; C58-K301 HydrophobicContact CB-CB 3.95Å; C58-K301 HydrophobicContact CB-CG 4.35Å
59E90Very high89.3Confident104 Ų10460.3 Ų60.349%0.48626%0.262SS..Hα-helixtrans-67.1-37.5178.2-175169.2-155.100112.1V55 R56 R57 D62 R63V55-E59 WeakPolarHBondContact O-CB 3.46Å; V55-E59 PolarHBondContact O-N 2.76Å; R56-E59 PolarHBondContact O-N 2.78Å; R57-E59 VanDerWaalsContact C-N 3.32Å; R57-E59 PolarHBondContact O-N 3.5Å; E59-D62 PolarHBondContact O-N 3.25Å; E59-R63 PolarHBondContact O-N 2.84Å
60E91.6Very high89.5Confident84 Ų8465.2 Ų65.239%0.39329%0.285SS..Hα-helixtrans-63.8-43.1172.4-169175.8174.900111.6R56 R57 D62 R63 K64R56-E60 PolarHBondContact O-N 2.92Å; R57-E60 PolarHBondContact O-N 3.17Å; E60-D62 VanDerWaalsContact C-N 3.35Å; E60-D62 PolarHBondContact O-N 2.89Å; E60-R63 WeakPolarHBondContact O-CB 3.22Å; E60-R63 PolarHBondContact O-N 2.92Å; E60-R63 IonicContact OE1-NH2 3.93Å; E60-K64 WeakPolarHBondContact O-CG 3.12Å; E60-K64 PolarHBondContact O-N 3.21Å; E60-K64 IonicContact OE1-NZ 3.59Å
61M90.1Very high89.7Confident4 Ų458.9 Ų58.92%0.0226%0.257CS..Hα-helixtrans-59.7-43.6173.3-64.6167.483.300111.7R57 C58 R63 K64 L65 M94 L97 E98 F101 V297R57-M61 WeakPolarHBondContact O-CG 3.29Å; R57-M61 PolarHBondContact O-N 3.38Å; C58-M61 WeakPolarHBondContact O-CB 3.48Å; C58-M61 PolarHBondContact O-N 3.47Å; M61-R63 VanDerWaalsContact C-N 3.33Å; M61-R63 PolarHBondContact O-N 3.33Å; M61-K64 PolarHBondContact O-N 2.97Å; M61-L65 WeakPolarHBondContact O-CG 3.41Å; M61-L65 PolarHBondContact O-N 3.47Å; M61-M94 HydrophobicContact SD-CE 3.91Å; M61-M94 HydrophobicContact SD-CG 4.27Å; M61-L97 HydrophobicContact CE-CB 3.57Å; M61-E98 HydrophobicContact CE-CG 3.78Å; M61-E98 HydrophobicContact CG-CG 3.74Å; M61-E98 HydrophobicContact SD-CG 3.49Å; M61-E98 WeakPolarHBondContact SD-CG 3.25Å; M61-F101 HydrophobicContact CB-CD2 4.05Å; M61-F101 HydrophobicContact CB-CE2 4.36Å; M61-F101 HydrophobicContact CE-CD2 3.73Å; M61-F101 HydrophobicContact CE-CE2 3.53Å; M61-F101 HydrophobicContact CG-CD2 4.2Å; M61-V297 HydrophobicContact CB-CG1 3.99Å; M61-V297 HydrophobicContact CB-CG2 4.17Å; M61-V297 HydrophobicContact CE-CG2 4.08Å
62D89.8Confident89.8Confident8 Ų856.9 Ų56.94%0.04325%0.248CC..Hα-helixtrans-62-41175.9-170.345.8000111C58 E59 E60 K64 L65 R66 F294 V297C58-D62 PolarHBondContact O-N 3.38Å; E59-D62 PolarHBondContact O-N 3.25Å; E60-D62 VanDerWaalsContact C-N 3.35Å; E60-D62 PolarHBondContact O-N 2.89Å; D62-K64 PolarHBondContact O-N 3.01Å; D62-L65 PolarHBondContact O-N 2.93Å; D62-R66 VanDerWaalsContact O-CG 3.31Å; D62-R66 WeakPolarHBondContact O-CG 3.36Å; D62-R66 PolarHBondContact O-N 3.38Å; D62-R66 IonicContact OD1-NE 3.92Å; D62-R66 IonicContact OD2-CZ 3.41Å; D62-R66 VanDerWaalsContact OD2-CZ 3.29Å; D62-R66 IonicContact OD2-NE 3.04Å; D62-R66 PolarHBondContact OD2-NE 3.5Å; D62-R66 IonicContact OD2-NH2 2.9Å; D62-R66 PolarHBondContact OD2-NH2 2.92Å; D62-F294 WeakPolarHBondContact OD1-CD1 3.09Å; D62-F294 WeakPolarHBondContact OD1-CE1 2.99Å; D62-V297 HydrophobicContact CB-CG1 4.16Å
63R92.8Very high89.7Confident147 Ų14761 Ų6156%0.55526%0.264SS*.Hα-helixtrans-59.8-45.3173.9-175.4-171.268.6152.3-2.3112E59 E60 M61 R66 F67E59-R63 PolarHBondContact O-N 2.84Å; E60-R63 WeakPolarHBondContact O-CB 3.22Å; E60-R63 PolarHBondContact O-N 2.92Å; E60-R63 IonicContact OE1-NH2 3.93Å; M61-R63 VanDerWaalsContact C-N 3.33Å; M61-R63 PolarHBondContact O-N 3.33Å; R63-R66 PolarHBondContact O-N 3.26Å; R63-F67 PolarHBondContact O-N 2.89Å
64K91.6Very high89.5Confident15 Ų1561.7 Ų61.77%0.06526%0.261CS..Hα-helixtrans-61.1-44.9176.8-65.7-175.6179.81750110.6E60 M61 D62 R66 F67 V68 F101 E102 E105E60-K64 WeakPolarHBondContact O-CG 3.12Å; E60-K64 PolarHBondContact O-N 3.21Å; E60-K64 IonicContact OE1-NZ 3.59Å; M61-K64 PolarHBondContact O-N 2.97Å; D62-K64 PolarHBondContact O-N 3.01Å; K64-R66 PolarHBondContact O-N 2.76Å; K64-F67 WeakPolarHBondContact O-CB 3.27Å; K64-F67 PolarHBondContact O-N 3.02Å; K64-V68 WeakPolarHBondContact O-CG2 3.37Å; K64-V68 PolarHBondContact O-N 3.45Å; K64-V68 VanDerWaalsContact O-N 3.1Å; K64-F101 HydrophobicContact CD-CB 4.45Å; K64-E102 IonicContact NZ-OE2 3.29Å; K64-E105 WeakPolarHBondContact CD-OE2 3.49Å; K64-E105 WeakPolarHBondContact CE-OE2 3.33Å; K64-E105 WeakPolarHBondContact CG-OE2 3.31Å
65L90.1Very high89.3Confident2 Ų260.4 Ų60.41%0.0126%0.26CS..Hα-helixtrans-64.7-38.8176.7-69.6174.3000113M61 D62 F67 V68 E69 F101 W293 F294 V297M61-L65 WeakPolarHBondContact O-CG 3.41Å; M61-L65 PolarHBondContact O-N 3.47Å; D62-L65 PolarHBondContact O-N 2.93Å; L65-F67 VanDerWaalsContact C-N 3.32Å; L65-F67 PolarHBondContact O-N 3.25Å; L65-V68 PolarHBondContact O-N 2.64Å; L65-E69 PolarHBondContact O-N 3.28Å; L65-F101 HydrophobicContact CD1-CE2 3.97Å; L65-F101 HydrophobicContact CD1-CZ 4.17Å; L65-F101 HydrophobicContact CD2-CD1 4.09Å; L65-F101 HydrophobicContact CD2-CD2 4.43Å; L65-F101 HydrophobicContact CD2-CE1 3.97Å; L65-F101 HydrophobicContact CD2-CE2 4.28Å; L65-F101 HydrophobicContact CD2-CG 4.35Å; L65-F101 HydrophobicContact CD2-CZ 4.07Å; L65-F101 HydrophobicContact CG-CD2 4.35Å; L65-F101 HydrophobicContact CG-CE2 4.23Å; L65-F101 HydrophobicContact CG-CZ 4.45Å; L65-W293 HydrophobicContact CD1-CB 4.01Å; L65-W293 HydrophobicContact CD2-CB 3.97Å; L65-W293 HydrophobicContact CD2-CE3 3.99Å; L65-F294 VanDerWaalsContact C-CZ 3.48Å; L65-F294 HydrophobicContact CB-CD1 4.16Å; L65-F294 HydrophobicContact CB-CE1 3.65Å; L65-F294 HydrophobicContact CB-CE2 4.14Å; L65-F294 HydrophobicContact CB-CZ 3.65Å; L65-F294 HydrophobicContact CD1-CD1 4.3Å; L65-F294 HydrophobicContact CD1-CG 4.48Å; L65-V297 HydrophobicContact CD1-CB 4.32Å; L65-V297 HydrophobicContact CD1-CG2 3.83Å
66R89.8Confident89.1Confident115 Ų11566.3 Ų66.343%0.43429%0.29SS..Hα-helixtrans-62.2-38.3173.8-72.2179.1-164.5-147.72.7112.1D62 R63 K64 E69 K70 F294 E837D62-R66 VanDerWaalsContact O-CG 3.31Å; D62-R66 WeakPolarHBondContact O-CG 3.36Å; D62-R66 PolarHBondContact O-N 3.38Å; D62-R66 IonicContact OD1-NE 3.92Å; D62-R66 IonicContact OD2-CZ 3.41Å; D62-R66 VanDerWaalsContact OD2-CZ 3.29Å; D62-R66 IonicContact OD2-NE 3.04Å; D62-R66 PolarHBondContact OD2-NE 3.5Å; D62-R66 IonicContact OD2-NH2 2.9Å; D62-R66 PolarHBondContact OD2-NH2 2.92Å; R63-R66 PolarHBondContact O-N 3.26Å; K64-R66 PolarHBondContact O-N 2.76Å; R66-E69 PolarHBondContact O-N 3.2Å; R66-K70 WeakPolarHBondContact O-CB 3.33Å; R66-K70 PolarHBondContact O-N 3.12Å; R66-F294 HydrophobicContact CG-CE1 4.05Å; R66-F294 HydrophobicContact CG-CZ 4.23Å; R66-E837 IonicContact NH2-OE1 2.97Å
67F91.1Very high88.9Confident56 Ų5658.9 Ų58.925%0.24626%0.264CS..Hα-helixtrans-61.1-48.1172.9171.3-101.7000111.1R63 K64 L65 E69 K70 E71 E105 L108 K109R63-F67 PolarHBondContact O-N 2.89Å; K64-F67 WeakPolarHBondContact O-CB 3.27Å; K64-F67 PolarHBondContact O-N 3.02Å; L65-F67 VanDerWaalsContact C-N 3.32Å; L65-F67 PolarHBondContact O-N 3.25Å; F67-E69 PolarHBondContact O-N 3.23Å; F67-K70 WeakPolarHBondContact O-CB 3.36Å; F67-K70 PolarHBondContact O-N 3.46Å; F67-E71 HydrophobicContact CE1-CG 4.31Å; F67-E71 HydrophobicContact CE2-CG 4.25Å; F67-E71 HydrophobicContact CZ-CG 4.05Å; F67-E71 PolarHBondContact O-N 3.22Å; F67-E71 VanDerWaalsContact O-N 3.07Å; F67-E105 HydrophobicContact CD1-CG 4.03Å; F67-E105 HydrophobicContact CE1-CG 4.21Å; F67-L108 HydrophobicContact CE1-CB 4.42Å; F67-K109 HydrophobicContact CE1-CG 4.15Å; F67-K109 HydrophobicContact CZ-CG 3.99Å
68V89.6Confident88.3Confident3 Ų360.2 Ų60.22%0.01828%0.283CS..Hα-helixtrans-61.6-43.7177.3177.80000111.6K64 L65 K70 E71 I72 L104 L108 A286 V290K64-V68 WeakPolarHBondContact O-CG2 3.37Å; K64-V68 PolarHBondContact O-N 3.45Å; K64-V68 VanDerWaalsContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 2.64Å; V68-K70 VanDerWaalsContact C-N 3.29Å; V68-K70 PolarHBondContact O-N 2.88Å; V68-E71 PolarHBondContact O-N 2.99Å; V68-I72 HydrophobicContact CG1-CD1 3.84Å; V68-I72 HydrophobicContact CG1-CG1 4.39Å; V68-I72 VanDerWaalsContact O-CG1 3.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.42Å; V68-I72 PolarHBondContact O-N 3.4Å; V68-L104 HydrophobicContact CB-CD2 4.21Å; V68-L104 HydrophobicContact CG1-CD2 3.74Å; V68-L104 HydrophobicContact CG2-CD2 3.35Å; V68-L108 HydrophobicContact CG1-CD1 4.28Å; V68-L108 HydrophobicContact CG2-CD1 4.09Å; V68-A286 HydrophobicContact CG1-CB 4.32Å; V68-V290 HydrophobicContact CG1-CG2 4Å
69E88.4Confident87.7Confident27 Ų2762 Ų6213%0.12629%0.292CS..Hα-helixtrans-60.6-39.8176.5-168.6-175-168.300111.6L65 R66 F67 E71 I72 K73 I79 R291 F294L65-E69 PolarHBondContact O-N 3.28Å; R66-E69 PolarHBondContact O-N 3.2Å; F67-E69 PolarHBondContact O-N 3.23Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E69-I72 PolarHBondContact O-N 3.43Å; E69-K73 HydrophobicContact CG-CD 4.38Å; E69-K73 WeakPolarHBondContact O-CB 3.31Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 2.95Å; E69-K73 VanDerWaalsContact OE1-CE 3.31Å; E69-K73 WeakPolarHBondContact OE1-CE 3.26Å; E69-K73 IonicContact OE1-NZ 3.95Å; E69-K73 PolarHBondContact OE1-NZ 3.16Å; E69-K73 IonicContact OE2-NZ 2.73Å; E69-I79 HydrophobicContact CG-CD1 3.99Å; E69-R291 IonicContact OE1-CZ 3.83Å; E69-R291 IonicContact OE1-NH1 3.3Å; E69-R291 PolarHBondContact OE1-NH1 3.07Å; E69-R291 VanDerWaalsContact OE1-NH1 3.09Å; E69-R291 IonicContact OE1-NH2 2.89Å; E69-R291 PolarHBondContact OE1-NH2 3.42Å; E69-F294 HydrophobicContact CB-CE2 4.01Å; E69-F294 HydrophobicContact CB-CZ 4.15Å; E69-F294 HydrophobicContact CG-CE2 4.4Å
70K89.3Confident86.7Confident134 Ų13463.7 Ų63.758%0.58330%0.302SS*.Hα-helixtrans-62.6-42.1176.4-167.8179.5-176.4178.60111.4R66 F67 V68 K73 K74R66-K70 WeakPolarHBondContact O-CB 3.33Å; R66-K70 PolarHBondContact O-N 3.12Å; F67-K70 WeakPolarHBondContact O-CB 3.36Å; F67-K70 PolarHBondContact O-N 3.46Å; V68-K70 VanDerWaalsContact C-N 3.29Å; V68-K70 PolarHBondContact O-N 2.88Å; K70-K73 PolarHBondContact O-N 2.95Å; K70-K74 WeakPolarHBondContact O-CG 3.38Å; K70-K74 PolarHBondContact O-N 2.96Å
71E86.6Confident85.4Confident12 Ų1265.5 Ų65.56%0.05631%0.314CS..Hα-helixtrans-67.6-38.6176.9-68.8-58.3128.800112.5F67 V68 E69 K74 A75 N112 L283F67-E71 HydrophobicContact CE1-CG 4.31Å; F67-E71 HydrophobicContact CE2-CG 4.25Å; F67-E71 HydrophobicContact CZ-CG 4.05Å; F67-E71 PolarHBondContact O-N 3.22Å; F67-E71 VanDerWaalsContact O-N 3.07Å; V68-E71 PolarHBondContact O-N 2.99Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E71-K74 PolarHBondContact O-N 3.46Å; E71-K74 IonicContact OE1-NZ 3.67Å; E71-K74 PolarHBondContact OE1-NZ 3.17Å; E71-A75 PolarHBondContact O-N 3.39Å; E71-N112 PolarHBondContact OE2-ND2 3.46Å; E71-L283 HydrophobicContact CB-CD2 4.25Å
72I87.8Confident84.1Confident0 Ų069.6 Ų69.60%034%0.34CS..Hα-helixtrans-63-44.3174.1-67166.6000110.9V68 E69 A75 N76 I77 I79 L283 A286 A287 V290V68-I72 HydrophobicContact CG1-CD1 3.84Å; V68-I72 HydrophobicContact CG1-CG1 4.39Å; V68-I72 VanDerWaalsContact O-CG1 3.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.42Å; V68-I72 PolarHBondContact O-N 3.4Å; E69-I72 PolarHBondContact O-N 3.43Å; I72-A75 CarbonylContact O-C 3.51Å; I72-A75 PolarHBondContact O-N 2.89Å; I72-N76 PolarHBondContact O-N 3.4Å; I72-I77 HydrophobicContact CG2-CB 4.03Å; I72-I77 HydrophobicContact CG2-CG2 4.38Å; I72-I77 PolarHBondContact O-N 3.39Å; I72-I79 HydrophobicContact CG2-CD1 4.22Å; I72-I79 HydrophobicContact CG2-CG1 3.8Å; I72-L283 HydrophobicContact CG1-CD2 3.88Å; I72-A286 HydrophobicContact CD1-CB 4.39Å; I72-A287 HydrophobicContact CD1-CB 4.15Å; I72-A287 HydrophobicContact CG2-CB 4.09Å; I72-V290 HydrophobicContact CD1-CB 4.46Å; I72-V290 HydrophobicContact CD1-CG2 3.9Å
73K86.4Confident82.9Confident120 Ų12072.1 Ų72.152%0.52237%0.367SS..Hα-helixtrans-63.7-42.1176.8-74.9177.9-176.6168.60111.8E69 K70 A75 N76E69-K73 HydrophobicContact CG-CD 4.38Å; E69-K73 WeakPolarHBondContact O-CB 3.31Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 2.95Å; E69-K73 VanDerWaalsContact OE1-CE 3.31Å; E69-K73 WeakPolarHBondContact OE1-CE 3.26Å; E69-K73 IonicContact OE1-NZ 3.95Å; E69-K73 PolarHBondContact OE1-NZ 3.16Å; E69-K73 IonicContact OE2-NZ 2.73Å; K70-K73 PolarHBondContact O-N 2.95Å; K73-A75 PolarHBondContact O-N 3.46Å; K73-N76 PolarHBondContact O-N 3.49Å
74K86.1Confident81.7Confident130 Ų13071.5 Ų71.557%0.56537%0.371SS*.Hα-helixtrans-59.2-35.5173.1-76.7177.8-178.8174.80112.5K70 E71 N76K70-K74 WeakPolarHBondContact O-CG 3.38Å; K70-K74 PolarHBondContact O-N 2.96Å; E71-K74 PolarHBondContact O-N 3.46Å; E71-K74 IonicContact OE1-NZ 3.67Å; E71-K74 PolarHBondContact OE1-NZ 3.17Å; K74-N76 PolarHBondContact O-N 2.93Å
75A84.6Confident80.6Confident27 Ų2775.7 Ų75.722%0.22339%0.394CS..THydrogen-bonded Turntrans-79.72.1177.500000114.1E71 I72 K73 I77 L283E71-A75 PolarHBondContact O-N 3.39Å; I72-A75 CarbonylContact O-C 3.51Å; I72-A75 PolarHBondContact O-N 2.89Å; K73-A75 PolarHBondContact O-N 3.46Å; A75-I77 HydrophobicContact CB-CD1 3.92Å; A75-I77 HydrophobicContact CB-CG1 4.13Å; A75-I77 PolarHBondContact O-N 2.91Å; A75-L283 HydrophobicContact CB-CD1 3.83Å
76N86.2Confident80Confident145 Ų14576.7 Ų76.778%0.77540%0.4SS*.THydrogen-bonded Turntrans53.331.5-177.2-68.1-43000114.1I72 K73 K74I72-N76 PolarHBondContact O-N 3.4Å; K73-N76 PolarHBondContact O-N 3.49Å; K74-N76 PolarHBondContact O-N 2.93Å
77I85.6Confident79.3Confident24 Ų2477.3 Ų77.312%0.12341%0.408CS..  trans-86.7122.7175.9-64.3165.1000108.4I72 A75 I79 L283 Q284 A287I72-I77 HydrophobicContact CG2-CB 4.03Å; I72-I77 HydrophobicContact CG2-CG2 4.38Å; I72-I77 PolarHBondContact O-N 3.39Å; A75-I77 HydrophobicContact CB-CD1 3.92Å; A75-I77 HydrophobicContact CB-CG1 4.13Å; A75-I77 PolarHBondContact O-N 2.91Å; I77-I79 PolarHBondContact O-N 3.02Å; I77-L283 HydrophobicContact CD1-CB 3.62Å; I77-L283 HydrophobicContact CD1-CD1 4.43Å; I77-Q284 HydrophobicContact CD1-CG 4.16Å; I77-Q284 HydrophobicContact CG2-CG 4.49Å; I77-A287 HydrophobicContact CG2-CB 3.88Å
78P77.1Confident78.7Confident108 Ų10875.5 Ų75.570%0.70140%0.402SS*.  trans-69.1123.5177.128.4-32.9000109.6M80P78-M80 PolarHBondContact O-N 3.31Å
79I77.7Confident78.3Confident36 Ų3675.7 Ų75.719%0.18540%0.403CS..  trans-75115.1173-60.3165.3000107.1E69 I72 I77 R291E69-I79 HydrophobicContact CG-CD1 3.99Å; I72-I79 HydrophobicContact CG2-CD1 4.22Å; I72-I79 HydrophobicContact CG2-CG1 3.8Å; I77-I79 PolarHBondContact O-N 3.02Å; I79-R291 HydrophobicContact CG2-CG 3.47Å; I79-R291 VanDerWaalsContact CG2-CG 3.47Å
80M67.9Low78.1Confident140 Ų14079 Ų7969%0.6942%0.417SS*.  trans-74.6128.7176.2-61.3-167.810600109.4P78P78-M80 PolarHBondContact O-N 3.31Å
81D65Low77.7Confident123 Ų12375 Ų7566%0.65841%0.405SS*.  trans-99111.8171.2-163.5-11.1000108.3G83D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact OD1-N 3.43Å
82T63Low77.4Confident90 Ų9084.5 Ų84.555%0.55244%0.44SS*.  trans-81.1-9.1176.851.80000112.1E84T82-E84 PolarHBondContact O-N 3.48Å; T82-E84 VanDerWaalsContact O-N 3.17Å
83G64.4Low77.3Confident61 Ų6187.6 Ų87.663%0.62946%0.457SS*.  trans65.49.6-176.300000113.9D81 N85D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact OD1-N 3.43Å; G83-N85 PolarHBondContact O-N 3.47Å
84E66.6Low77.2Confident134 Ų13481.9 Ų81.963%0.62643%0.432SS*.  trans-78.9120.3177-69.4-177.2166.500109.5T82 P86T82-E84 PolarHBondContact O-N 3.48Å; T82-E84 VanDerWaalsContact O-N 3.17Å; E84-P86 WeakPolarHBondContact O-CD 3.25Å
85N69.3Low77.2Confident103 Ų10380.5 Ų80.555%0.55143%0.429SS*.  trans-85.4102.1167.7-82.6-15.9000108.5G83G83-N85 PolarHBondContact O-N 3.47Å
86P76.9Confident77.4Confident22 Ų2284.2 Ų84.214%0.14345%0.446CS..PPolyproline II helixtrans-68.4149.9179.732.1-39.4000111.1E84 V292 I295 K296 K299E84-P86 WeakPolarHBondContact O-CD 3.25Å; P86-V292 HydrophobicContact CB-CG1 4.01Å; P86-V292 HydrophobicContact CG-CG1 3.96Å; P86-I295 HydrophobicContact CG-CB 4.04Å; P86-I295 HydrophobicContact CG-CG2 3.65Å; P86-K296 HydrophobicContact CB-CG 4.38Å; P86-K296 HydrophobicContact CG-CG 4.08Å; P86-K299 PolarHBondContact O-NZ 3.26Å
87E75Confident77.5Confident129 Ų12978.3 Ų78.360%0.60341%0.414SS*.PPolyproline II helixtrans-64.3149.1168.2-166.7168.3-173.500110.6K343E87-K343 IonicContact OE1-NZ 3.52Å; E87-K343 PolarHBondContact OE1-NZ 2.97Å
88V78.6Confident77.7Confident17 Ų1778.9 Ų78.910%0.10342%0.416CS..PPolyproline II helixtrans-62.7128.2178.4-179.50000109.4Y23 K299 I303 F828Y23-V88 HydrophobicContact CE1-CG1 3.96Å; V88-K299 HydrophobicContact CG2-CB 4.17Å; V88-K299 HydrophobicContact CG2-CD 3.68Å; V88-I303 HydrophobicContact CB-CD1 4.5Å; V88-I303 HydrophobicContact CG1-CD1 3.48Å; V88-I303 VanDerWaalsContact CG1-CD1 3.48Å; V88-I303 HydrophobicContact CG2-CD1 4.28Å; V88-F828 HydrophobicContact CG2-CE2 3.94Å; V88-F828 HydrophobicContact CG2-CZ 4.04Å
89P82.1Confident78.4Confident8 Ų876.6 Ų76.65%0.05241%0.406CS..PPolyproline II helixtrans-71.1154177.731.5-36.5000111.5Y23 D93 L97 K296 M300Y23-P89 WeakPolarHBondContact CE1-O 3.47Å; P89-D93 HydrophobicContact CB-CB 4.22Å; P89-L97 HydrophobicContact CG-CD1 4.43Å; P89-K296 HydrophobicContact CG-CB 4.16Å; P89-K296 HydrophobicContact CG-CD 4.35Å; P89-K296 HydrophobicContact CG-CG 4.35Å; P89-M300 HydrophobicContact CG-CE 4.14Å; P89-M300 HydrophobicContact CG-CG 3.78Å; P89-M300 HydrophobicContact CG-SD 3.51Å; P89-M300 VanDerWaalsContact CG-SD 3.51Å
90F83.1Confident78.9Confident96 Ų9678 Ų7842%0.42142%0.417SS..PPolyproline II helixtrans-72.6156.9174.7-72-75.5000111R92 D93F90-R92 PolarHBondContact O-N 3.31Å; F90-R92 VanDerWaalsContact O-N 3.07Å; F90-D93 PolarHBondContact N-OD2 2.66Å; F90-D93 PolarHBondContact O-N 3.42Å
91P81Confident80Confident49 Ų4971.6 Ų71.632%0.31839%0.385SS..THydrogen-bonded Turntrans-57.1-25.2176-26.935.6000114.2Y23 M94Y23-P91 HydrophobicContact CD1-CG 3.71Å; Y23-P91 HydrophobicContact CD2-CG 3.98Å; Y23-P91 HydrophobicContact CE1-CG 4Å; Y23-P91 HydrophobicContact CE2-CG 4.26Å; Y23-P91 HydrophobicContact CG-CG 3.7Å; P91-M94 WeakPolarHBondContact O-CB 3.5Å; P91-M94 PolarHBondContact O-N 3.03Å
92R82.2Confident81.3Confident212 Ų21270.3 Ų70.380%0.838%0.375SS*.THydrogen-bonded Turntrans-66.6-43.3175.9-66-176.7179.9179.11.8111.7F90 M94 I95F90-R92 PolarHBondContact O-N 3.31Å; F90-R92 VanDerWaalsContact O-N 3.07Å; R92-M94 PolarHBondContact O-N 3.32Å; R92-M94 VanDerWaalsContact O-N 3.15Å; R92-I95 PolarHBondContact O-N 2.99Å
93D83.7Confident82.7Confident65 Ų6573.1 Ų73.135%0.34838%0.38SS..Hα-helixtrans-67.5-15.2179.7-49.4-25.6000111.9P89 F90 I95 D96 L97P89-D93 HydrophobicContact CB-CB 4.22Å; F90-D93 PolarHBondContact N-OD2 2.66Å; F90-D93 PolarHBondContact O-N 3.42Å; D93-I95 VanDerWaalsContact C-N 3.3Å; D93-I95 PolarHBondContact O-N 3.31Å; D93-D96 PolarHBondContact O-N 3.21Å; D93-L97 WeakPolarHBondContact O-CB 3.34Å; D93-L97 VanDerWaalsContact O-CG 3.3Å; D93-L97 WeakPolarHBondContact O-CG 3.29Å; D93-L97 PolarHBondContact O-N 3.4Å
94M84.5Confident83.9Confident0 Ų071.4 Ų71.40%036%0.356CS..Hα-helixtrans-59.7-41.7176.9-161169.5168.600112.1R57 C58 M61 P91 R92 L97 E98 M300 Y304R57-M94 HydrophobicContact CB-CE 3.93Å; R57-M94 HydrophobicContact CG-CE 4.13Å; R57-M94 PolarHBondContact NH2-SD 3.43Å; C58-M94 HydrophobicContact CB-CE 4.42Å; C58-M94 WeakPolarHBondContact SG-CE 3.49Å; M61-M94 HydrophobicContact SD-CE 3.91Å; M61-M94 HydrophobicContact SD-CG 4.27Å; P91-M94 WeakPolarHBondContact O-CB 3.5Å; P91-M94 PolarHBondContact O-N 3.03Å; R92-M94 PolarHBondContact O-N 3.32Å; R92-M94 VanDerWaalsContact O-N 3.15Å; M94-L97 PolarHBondContact O-N 2.61Å; M94-E98 WeakPolarHBondContact CE-OE1 3.35Å; M94-E98 WeakPolarHBondContact CG-OE1 3.21Å; M94-E98 WeakPolarHBondContact O-CG 3.36Å; M94-E98 PolarHBondContact O-N 2.62Å; M94-M300 HydrophobicContact CB-CE 3.73Å; M94-M300 HydrophobicContact CG-CE 3.68Å; M94-M300 HydrophobicContact CG-SD 4.32Å; M94-M300 HydrophobicContact SD-CE 3.69Å; M94-Y304 HydrophobicContact SD-CE2 3.94Å
95I87.3Confident85Confident101 Ų10165.6 Ų65.652%0.51833%0.329SS..Hα-helixtrans-68.1-41.5-177.7-58172.1000109.6R92 D93 E98 A99R92-I95 PolarHBondContact O-N 2.99Å; D93-I95 VanDerWaalsContact C-N 3.3Å; D93-I95 PolarHBondContact O-N 3.31Å; I95-E98 PolarHBondContact O-N 3Å; I95-A99 PolarHBondContact O-N 3.3Å
96D89.1Confident86.1Confident106 Ų10664.4 Ų64.457%0.56732%0.323SS*.Hα-helixtrans-65.3-43.1176.9-64.9-22.4000110.9D93 E98 A99 T100D93-D96 PolarHBondContact O-N 3.21Å; D96-E98 PolarHBondContact O-N 2.91Å; D96-A99 PolarHBondContact O-N 3.26Å; D96-T100 WeakPolarHBondContact O-CG2 3.44Å; D96-T100 PolarHBondContact O-N 3.1Å
97L87.9Confident86.8Confident21 Ų2166.4 Ų66.411%0.1133%0.33CS..Hα-helixtrans-61.1-44.2175.6-74.2172.3000111.8M61 P89 D93 M94 A99 T100 F101M61-L97 HydrophobicContact CE-CB 3.57Å; P89-L97 HydrophobicContact CG-CD1 4.43Å; D93-L97 WeakPolarHBondContact O-CB 3.34Å; D93-L97 VanDerWaalsContact O-CG 3.3Å; D93-L97 WeakPolarHBondContact O-CG 3.29Å; D93-L97 PolarHBondContact O-N 3.4Å; M94-L97 PolarHBondContact O-N 2.61Å; L97-A99 PolarHBondContact O-N 3.47Å; L97-T100 PolarHBondContact O-N 3.03Å; L97-T100 PolarHBondContact O-OG1 3.03Å; L97-F101 HydrophobicContact CB-CE2 4.2Å; L97-F101 HydrophobicContact CB-CZ 4.28Å; L97-F101 HydrophobicContact CD2-CE1 4.33Å; L97-F101 HydrophobicContact CD2-CZ 3.96Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 WeakPolarHBondContact O-CG 3.35Å; L97-F101 PolarHBondContact O-N 3.01Å
98E89.1Confident87.4Confident35 Ų3560.3 Ų60.316%0.16430%0.302CS..Hα-helixtrans-57.2-48.7175.2-78.9162.3-153.800112.1R57 M61 M94 I95 D96 T100 F101 E102R57-E98 VanDerWaalsContact CD-CD 3.44Å; R57-E98 WeakPolarHBondContact CD-OE1 3.37Å; R57-E98 VanDerWaalsContact CD-OE2 3.29Å; R57-E98 WeakPolarHBondContact CD-OE2 3.27Å; R57-E98 WeakPolarHBondContact CG-OE1 3.44Å; R57-E98 IonicContact CZ-OE1 3.18Å; R57-E98 IonicContact CZ-OE2 3.83Å; R57-E98 IonicContact NE-OE1 2.7Å; R57-E98 PolarHBondContact NE-OE1 3.39Å; R57-E98 IonicContact NE-OE2 3.78Å; R57-E98 IonicContact NH1-OE1 3.69Å; R57-E98 IonicContact NH1-OE2 3.57Å; R57-E98 IonicContact NH2-OE1 3.85Å; M61-E98 HydrophobicContact CE-CG 3.78Å; M61-E98 HydrophobicContact CG-CG 3.74Å; M61-E98 HydrophobicContact SD-CG 3.49Å; M61-E98 WeakPolarHBondContact SD-CG 3.25Å; M94-E98 WeakPolarHBondContact CE-OE1 3.35Å; M94-E98 WeakPolarHBondContact CG-OE1 3.21Å; M94-E98 WeakPolarHBondContact O-CG 3.36Å; M94-E98 PolarHBondContact O-N 2.62Å; I95-E98 PolarHBondContact O-N 3Å; D96-E98 PolarHBondContact O-N 2.91Å; E98-T100 VanDerWaalsContact C-N 3.28Å; E98-T100 PolarHBondContact O-N 3.41Å; E98-F101 PolarHBondContact O-N 3.5Å; E98-E102 WeakPolarHBondContact O-CB 3.45Å; E98-E102 PolarHBondContact O-N 3.14Å
99A91.1Very high88Confident60 Ų6063.7 Ų63.750%0.49632%0.315SS..Hα-helixtrans-60.5-40.3178.100000111.5I95 D96 L97 K103I95-A99 PolarHBondContact O-N 3.3Å; D96-A99 PolarHBondContact O-N 3.26Å; L97-A99 PolarHBondContact O-N 3.47Å; A99-K103 VanDerWaalsContact O-CB 3.29Å; A99-K103 WeakPolarHBondContact O-CB 3.3Å; A99-K103 PolarHBondContact O-N 2.96Å
100T89.8Confident88.5Confident67 Ų6769.1 Ų69.141%0.41134%0.34SS..Hα-helixtrans-66.6-42.3176.967.80000112.7D96 L97 E98 L104D96-T100 WeakPolarHBondContact O-CG2 3.44Å; D96-T100 PolarHBondContact O-N 3.1Å; L97-T100 PolarHBondContact O-N 3.03Å; L97-T100 PolarHBondContact O-OG1 3.03Å; E98-T100 VanDerWaalsContact C-N 3.28Å; E98-T100 PolarHBondContact O-N 3.41Å; T100-L104 WeakPolarHBondContact O-CB 3.17Å; T100-L104 PolarHBondContact O-N 3.36Å
101F90.9Very high88.7Confident5 Ų565.3 Ų65.32%0.02232%0.323CS..Hα-helixtrans-71.4-37.6-179-62.1-18.2000112.1M61 K64 L65 L97 E98 L104 E105 W293 V297M61-F101 HydrophobicContact CB-CD2 4.05Å; M61-F101 HydrophobicContact CB-CE2 4.36Å; M61-F101 HydrophobicContact CE-CD2 3.73Å; M61-F101 HydrophobicContact CE-CE2 3.53Å; M61-F101 HydrophobicContact CG-CD2 4.2Å; K64-F101 HydrophobicContact CD-CB 4.45Å; L65-F101 HydrophobicContact CD1-CE2 3.97Å; L65-F101 HydrophobicContact CD1-CZ 4.17Å; L65-F101 HydrophobicContact CD2-CD1 4.09Å; L65-F101 HydrophobicContact CD2-CD2 4.43Å; L65-F101 HydrophobicContact CD2-CE1 3.97Å; L65-F101 HydrophobicContact CD2-CE2 4.28Å; L65-F101 HydrophobicContact CD2-CG 4.35Å; L65-F101 HydrophobicContact CD2-CZ 4.07Å; L65-F101 HydrophobicContact CG-CD2 4.35Å; L65-F101 HydrophobicContact CG-CE2 4.23Å; L65-F101 HydrophobicContact CG-CZ 4.45Å; L97-F101 HydrophobicContact CB-CE2 4.2Å; L97-F101 HydrophobicContact CB-CZ 4.28Å; L97-F101 HydrophobicContact CD2-CE1 4.33Å; L97-F101 HydrophobicContact CD2-CZ 3.96Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 WeakPolarHBondContact O-CG 3.35Å; L97-F101 PolarHBondContact O-N 3.01Å; E98-F101 PolarHBondContact O-N 3.5Å; F101-L104 PolarHBondContact O-N 3.06Å; F101-E105 VanDerWaalsContact O-CB 3.31Å; F101-E105 WeakPolarHBondContact O-CB 3.37Å; F101-E105 PolarHBondContact O-N 3.49Å; F101-W293 HydrophobicContact CD1-CD2 4.45Å; F101-W293 HydrophobicContact CD1-CE3 4.32Å; F101-W293 HydrophobicContact CE1-CB 4.02Å; F101-W293 AromaticContact CE1-CD2 3.45Å; F101-W293 HydrophobicContact CE1-CD2 3.45Å; F101-W293 VanDerWaalsContact CE1-CD2 3.45Å; F101-W293 AromaticContact CE1-CE2 3.86Å; F101-W293 AromaticContact CE1-CE3 3.7Å; F101-W293 HydrophobicContact CE1-CE3 3.7Å; F101-W293 AromaticContact CE1-CG 3.61Å; F101-W293 HydrophobicContact CE1-CG 3.61Å; F101-W293 HydrophobicContact CE1-CZ2 4.45Å; F101-W293 HydrophobicContact CE1-CZ3 4.3Å; F101-W293 HydrophobicContact CZ-CB 3.71Å; F101-W293 HydrophobicContact CZ-CD2 4.06Å; F101-W293 AromaticContact CZ-CG 3.68Å; F101-W293 HydrophobicContact CZ-CG 3.68Å; F101-V297 HydrophobicContact CE2-CG2 3.75Å; F101-V297 HydrophobicContact CZ-CG2 4.4Å
102E92.4Very high89Confident96 Ų9664.8 Ų64.845%0.44932%0.318SS..Hα-helixtrans-67-43175.1-172.6166.3172.200111.8K64 E98 L104 E105 N106K64-E102 IonicContact NZ-OE2 3.29Å; E98-E102 WeakPolarHBondContact O-CB 3.45Å; E98-E102 PolarHBondContact O-N 3.14Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.36Å; E102-E105 PolarHBondContact O-N 2.89Å; E102-N106 VanDerWaalsContact O-CB 3.31Å; E102-N106 WeakPolarHBondContact O-CB 3.42Å; E102-N106 PolarHBondContact O-N 3.22Å; E102-N106 PolarHBondContact O-ND2 3.03Å
103K91.9Very high89.4Confident149 Ų14958.5 Ų58.565%0.64830%0.303SS*.Hα-helixtrans-58.5-47173.8-175178.1178.2-178.10111.3A99 N106 E107A99-K103 VanDerWaalsContact O-CB 3.29Å; A99-K103 WeakPolarHBondContact O-CB 3.3Å; A99-K103 PolarHBondContact O-N 2.96Å; K103-N106 PolarHBondContact O-N 2.74Å; K103-E107 VanDerWaalsContact O-CB 3.27Å; K103-E107 WeakPolarHBondContact O-CB 3.49Å; K103-E107 PolarHBondContact O-N 3.34Å
104L89.6Confident89.7Confident24 Ų2459.1 Ų59.113%0.12631%0.307CS..Hα-helixtrans-68.1-38.9-178.5-170131.7000112.5V68 T100 F101 E102 L108 A286 W293V68-L104 HydrophobicContact CB-CD2 4.21Å; V68-L104 HydrophobicContact CG1-CD2 3.74Å; V68-L104 HydrophobicContact CG2-CD2 3.35Å; T100-L104 WeakPolarHBondContact O-CB 3.17Å; T100-L104 PolarHBondContact O-N 3.36Å; F101-L104 PolarHBondContact O-N 3.06Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.36Å; L104-L108 HydrophobicContact CD2-CD1 3.85Å; L104-L108 HydrophobicContact CG-CD1 4.48Å; L104-L108 WeakPolarHBondContact O-CB 3.41Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 2.93Å; L104-A286 HydrophobicContact CD1-CB 4.07Å; L104-W293 HydrophobicContact CD1-CH2 4.49Å; L104-W293 HydrophobicContact CD1-CZ3 4.46Å
105E90.6Very high89.7Confident13 Ų1360 Ų606%0.06131%0.311CS..Hα-helixtrans-64-46.4174.2-176.3-172.5-167.200111.4K64 F67 F101 E102 L108 K109K64-E105 WeakPolarHBondContact CD-OE2 3.49Å; K64-E105 WeakPolarHBondContact CE-OE2 3.33Å; K64-E105 WeakPolarHBondContact CG-OE2 3.31Å; F67-E105 HydrophobicContact CD1-CG 4.03Å; F67-E105 HydrophobicContact CE1-CG 4.21Å; F101-E105 VanDerWaalsContact O-CB 3.31Å; F101-E105 WeakPolarHBondContact O-CB 3.37Å; F101-E105 PolarHBondContact O-N 3.49Å; E102-E105 PolarHBondContact O-N 2.89Å; E105-L108 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact CD-NZ 3.3Å; E105-K109 HydrophobicContact CG-CD 4.23Å; E105-K109 WeakPolarHBondContact O-CB 3.46Å; E105-K109 WeakPolarHBondContact O-CG 3.32Å; E105-K109 PolarHBondContact O-N 3.23Å; E105-K109 WeakPolarHBondContact OE1-CE 3.3Å; E105-K109 IonicContact OE1-NZ 3.34Å; E105-K109 PolarHBondContact OE1-NZ 3.35Å
106N92.5Very high89.7Confident78 Ų7859.8 Ų59.842%0.41731%0.307SS..Hα-helixtrans-64.8-43.5-179.9-71.1-21000111.3E102 K103 L108 K109 E110E102-N106 VanDerWaalsContact O-CB 3.31Å; E102-N106 WeakPolarHBondContact O-CB 3.42Å; E102-N106 PolarHBondContact O-N 3.22Å; E102-N106 PolarHBondContact O-ND2 3.03Å; K103-N106 PolarHBondContact O-N 2.74Å; N106-L108 PolarHBondContact O-N 3.42Å; N106-K109 PolarHBondContact O-N 3.01Å; N106-E110 WeakPolarHBondContact O-CB 3.31Å; N106-E110 PolarHBondContact O-N 2.87Å
107E90.5Very high89.6Confident63 Ų6357 Ų5729%0.29430%0.299SS..Hα-helixtrans-59.7-46.1175.7-174.2172.8-17500111.2K103 E110 I111 H278K103-E107 VanDerWaalsContact O-CB 3.27Å; K103-E107 WeakPolarHBondContact O-CB 3.49Å; K103-E107 PolarHBondContact O-N 3.34Å; E107-E110 PolarHBondContact O-N 3.45Å; E107-I111 HydrophobicContact CG-CD1 3.97Å; E107-I111 WeakPolarHBondContact O-CB 3.21Å; E107-I111 WeakPolarHBondContact O-CD1 3.19Å; E107-I111 WeakPolarHBondContact O-CG1 3.35Å; E107-I111 PolarHBondContact O-N 3.46Å; E107-H278 IonicContact OE1-NE2 2.66Å
108L88.4Confident89.6Confident2 Ų257.6 Ų57.61%0.0130%0.302CS..Hα-helixtrans-67.4-38.3177.1-71.8176.9000113.1F67 V68 L104 E105 N106 N112 V282 L283F67-L108 HydrophobicContact CE1-CB 4.42Å; V68-L108 HydrophobicContact CG1-CD1 4.28Å; V68-L108 HydrophobicContact CG2-CD1 4.09Å; L104-L108 HydrophobicContact CD2-CD1 3.85Å; L104-L108 HydrophobicContact CG-CD1 4.48Å; L104-L108 WeakPolarHBondContact O-CB 3.41Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 2.93Å; E105-L108 PolarHBondContact O-N 2.91Å; N106-L108 PolarHBondContact O-N 3.42Å; L108-N112 VanDerWaalsContact O-CB 3.3Å; L108-N112 WeakPolarHBondContact O-CB 3.43Å; L108-N112 PolarHBondContact O-N 2.9Å; L108-V282 HydrophobicContact CD2-CG1 4.11Å; L108-L283 HydrophobicContact CD1-CD2 4.09Å; L108-L283 HydrophobicContact CD2-CD2 3.82Å; L108-L283 HydrophobicContact CD2-CG 4.17Å
109K90.4Very high89.4Confident88 Ų8858.6 Ų58.638%0.38331%0.306SS..Hα-helixtrans-64.3-46.4175.7-79.6179.2-175165.80111.3F67 E105 N106 N112 T113F67-K109 HydrophobicContact CE1-CG 4.15Å; F67-K109 HydrophobicContact CZ-CG 3.99Å; E105-K109 VanDerWaalsContact CD-NZ 3.3Å; E105-K109 HydrophobicContact CG-CD 4.23Å; E105-K109 WeakPolarHBondContact O-CB 3.46Å; E105-K109 WeakPolarHBondContact O-CG 3.32Å; E105-K109 PolarHBondContact O-N 3.23Å; E105-K109 WeakPolarHBondContact OE1-CE 3.3Å; E105-K109 IonicContact OE1-NZ 3.34Å; E105-K109 PolarHBondContact OE1-NZ 3.35Å; N106-K109 PolarHBondContact O-N 3.01Å; K109-N112 PolarHBondContact O-N 2.89Å; K109-T113 WeakPolarHBondContact O-CG2 3.2Å; K109-T113 PolarHBondContact O-N 2.97Å; K109-T113 PolarHBondContact O-OG1 3.47Å; K109-T113 VanDerWaalsContact O-OG1 3.11Å
110E91.8Very high89.2Confident122 Ų12261 Ų6157%0.5731%0.306SS*.Hα-helixtrans-61.3-46.6178.8-176.6177.7-179.900111.1N106 E107 N112 T113 N114N106-E110 WeakPolarHBondContact O-CB 3.31Å; N106-E110 PolarHBondContact O-N 2.87Å; E107-E110 PolarHBondContact O-N 3.45Å; E110-N112 VanDerWaalsContact C-N 3.34Å; E110-N112 PolarHBondContact O-N 2.86Å; E110-T113 WeakPolarHBondContact CA-OG1 3.31Å; E110-T113 PolarHBondContact O-N 2.85Å; E110-T113 PolarHBondContact O-OG1 2.84Å; E110-N114 VanDerWaalsContact O-CB 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.47Å; E110-N114 PolarHBondContact O-N 3.28Å; E110-N114 PolarHBondContact O-ND2 3.46Å
111I89Confident89.1Confident15 Ų1561.5 Ų61.58%0.07731%0.306CS..Hα-helixtrans-59.2-46175.4-69.1166.3000110.5E107 N114 Q115 T275 R279E107-I111 HydrophobicContact CG-CD1 3.97Å; E107-I111 WeakPolarHBondContact O-CB 3.21Å; E107-I111 WeakPolarHBondContact O-CD1 3.19Å; E107-I111 WeakPolarHBondContact O-CG1 3.35Å; E107-I111 PolarHBondContact O-N 3.46Å; I111-N114 PolarHBondContact O-N 3.28Å; I111-Q115 VanDerWaalsContact O-CB 3.23Å; I111-Q115 WeakPolarHBondContact O-CB 3.38Å; I111-Q115 PolarHBondContact O-N 2.88Å; I111-T275 HydrophobicContact CG2-CG2 4.15Å; I111-R279 HydrophobicContact CG2-CB 3.87Å; I111-R279 HydrophobicContact CG2-CG 3.84Å
112N87.1Confident88.9Confident39 Ų3963.7 Ų63.721%0.20932%0.315CS..Hα-helixtrans-64.2-43.2-179.7-77.1-7.2000112E71 L108 K109 E110 Q115 E116E71-N112 PolarHBondContact OE2-ND2 3.46Å; L108-N112 VanDerWaalsContact O-CB 3.3Å; L108-N112 WeakPolarHBondContact O-CB 3.43Å; L108-N112 PolarHBondContact O-N 2.9Å; K109-N112 PolarHBondContact O-N 2.89Å; E110-N112 VanDerWaalsContact C-N 3.34Å; E110-N112 PolarHBondContact O-N 2.86Å; N112-Q115 PolarHBondContact O-N 3.41Å; N112-E116 WeakPolarHBondContact O-CB 3.32Å; N112-E116 PolarHBondContact O-N 2.9Å
113T90.1Very high88.5Confident80 Ų8060 Ų6049%0.49130%0.298SS..Hα-helixtrans-65.5-39.6176.850.60000112.1K109 E110 A117K109-T113 WeakPolarHBondContact O-CG2 3.2Å; K109-T113 PolarHBondContact O-N 2.97Å; K109-T113 PolarHBondContact O-OG1 3.47Å; K109-T113 VanDerWaalsContact O-OG1 3.11Å; E110-T113 WeakPolarHBondContact CA-OG1 3.31Å; E110-T113 PolarHBondContact O-N 2.85Å; E110-T113 PolarHBondContact O-OG1 2.84Å; T113-A117 WeakPolarHBondContact O-CB 3.44Å; T113-A117 PolarHBondContact O-N 3.02Å
114N88.8Confident88.2Confident78 Ų7856.6 Ų56.642%0.41729%0.285SS..Hα-helixtrans-69-39.5177.8-70-17.9000111.1E110 I111 A117 L118E110-N114 VanDerWaalsContact O-CB 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.47Å; E110-N114 PolarHBondContact O-N 3.28Å; E110-N114 PolarHBondContact O-ND2 3.46Å; I111-N114 PolarHBondContact O-N 3.28Å; N114-A117 PolarHBondContact O-N 2.95Å; N114-L118 WeakPolarHBondContact O-CB 3.07Å; N114-L118 VanDerWaalsContact O-CG 3.3Å; N114-L118 WeakPolarHBondContact O-CG 3.44Å; N114-L118 PolarHBondContact O-N 3.42Å
115Q85.3Confident88Confident18 Ų1856.9 Ų56.98%0.08429%0.286CS..Hα-helixtrans-66.1-42176.9-169.6179.30.600111.4I111 N112 L118 K119 L272 E276I111-Q115 VanDerWaalsContact O-CB 3.23Å; I111-Q115 WeakPolarHBondContact O-CB 3.38Å; I111-Q115 PolarHBondContact O-N 2.88Å; N112-Q115 PolarHBondContact O-N 3.41Å; Q115-L118 PolarHBondContact O-N 3.19Å; Q115-K119 WeakPolarHBondContact O-CB 3.46Å; Q115-K119 WeakPolarHBondContact O-CG 3.4Å; Q115-K119 PolarHBondContact O-N 2.91Å; Q115-L272 HydrophobicContact CG-CD1 4.17Å; Q115-E276 PolarHBondContact NE2-OE1 2.96Å
116E86.6Confident87.8Confident96 Ų9657.1 Ų57.145%0.44929%0.289SS..Hα-helixtrans-61.6-45.6174.5-174.3-179.6175.100111.4N112 K119 K120N112-E116 WeakPolarHBondContact O-CB 3.32Å; N112-E116 PolarHBondContact O-N 2.9Å; E116-K119 PolarHBondContact O-N 3.27Å; E116-K120 WeakPolarHBondContact O-CB 3.47Å; E116-K120 PolarHBondContact O-N 3.43Å
117A88.4Confident87.5Confident48 Ų4853.6 Ų53.640%0.39727%0.27SS..Hα-helixtrans-62.7-43176.800000112.3T113 N114 K120 N121T113-A117 WeakPolarHBondContact O-CB 3.44Å; T113-A117 PolarHBondContact O-N 3.02Å; N114-A117 PolarHBondContact O-N 2.95Å; A117-K120 PolarHBondContact O-N 3.42Å; A117-N121 VanDerWaalsContact O-CG 3.25Å; A117-N121 PolarHBondContact O-N 3Å; A117-N121 PolarHBondContact O-ND2 3.3Å
118L87.1Confident87.3Confident34 Ų3451.5 Ų51.518%0.17826%0.26CS..Hα-helixtrans-64.6-45176.1-78.8166.3000111.8N114 Q115 K120 N121 F122 L268 V271 L272N114-L118 WeakPolarHBondContact O-CB 3.07Å; N114-L118 VanDerWaalsContact O-CG 3.3Å; N114-L118 WeakPolarHBondContact O-CG 3.44Å; N114-L118 PolarHBondContact O-N 3.42Å; Q115-L118 PolarHBondContact O-N 3.19Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 3.36Å; L118-N121 PolarHBondContact O-N 3.33Å; L118-F122 VanDerWaalsContact O-CB 3.31Å; L118-F122 WeakPolarHBondContact O-CB 3.2Å; L118-F122 PolarHBondContact O-N 3.03Å; L118-L268 HydrophobicContact CD2-CD2 3.61Å; L118-V271 HydrophobicContact CD1-CG1 4.04Å; L118-V271 HydrophobicContact CD2-CG1 4.35Å; L118-L272 HydrophobicContact CB-CD1 4.23Å
119K85.7Confident87.2Confident56 Ų5655 Ų5524%0.24328%0.275CS..Hα-helixtrans-60.7-41.1175.6-79-170.4172.8-160.80111.6Q115 E116 F122 L123 E207 L272Q115-K119 WeakPolarHBondContact O-CB 3.46Å; Q115-K119 WeakPolarHBondContact O-CG 3.4Å; Q115-K119 PolarHBondContact O-N 2.91Å; E116-K119 PolarHBondContact O-N 3.27Å; K119-F122 PolarHBondContact O-N 3.27Å; K119-L123 WeakPolarHBondContact O-CB 3.11Å; K119-L123 PolarHBondContact O-N 3.28Å; K119-E207 IonicContact NZ-OE1 3.9Å; K119-E207 IonicContact NZ-OE2 2.68Å; K119-L272 HydrophobicContact CG-CD1 3.98Å
120K86.8Confident86.9Confident111 Ų11152.7 Ų52.748%0.48327%0.266SS..Hα-helixtrans-62.1-47.5175.2-172.4-176.8176.6-171.90111.8E116 A117 L118 F122 L123 E124 P209E116-K120 WeakPolarHBondContact O-CB 3.47Å; E116-K120 PolarHBondContact O-N 3.43Å; A117-K120 PolarHBondContact O-N 3.42Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 3.36Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 PolarHBondContact O-N 3.14Å; K120-L123 WeakPolarHBondContact O-CB 3.48Å; K120-L123 PolarHBondContact O-N 2.88Å; K120-E124 VanDerWaalsContact CE-OE1 3.26Å; K120-E124 WeakPolarHBondContact CE-OE1 3.36Å; K120-E124 WeakPolarHBondContact O-CG 3.46Å; K120-E124 PolarHBondContact O-N 2.93Å; K120-P209 HydrophobicContact CB-CB 4.38Å; K120-P209 HydrophobicContact CB-CG 4.28Å; K120-P209 HydrophobicContact CG-CG 4.36Å
121N87.1Confident86.6Confident77 Ų7747 Ų4741%0.41224%0.239SC..Hα-helixtrans-63.4-40.1177.3-68.3-19.4000112A117 L118 E124 L125A117-N121 VanDerWaalsContact O-CG 3.25Å; A117-N121 PolarHBondContact O-N 3Å; A117-N121 PolarHBondContact O-ND2 3.3Å; L118-N121 PolarHBondContact O-N 3.33Å; N121-E124 PolarHBondContact O-N 2.88Å; N121-L125 WeakPolarHBondContact O-CG 3.45Å; N121-L125 PolarHBondContact O-N 2.87Å
122F85.9Confident86.3Confident51 Ų5146.2 Ų46.222%0.22424%0.236CC..Hα-helixtrans-63.1-42.8175.8-177.7-94.2000111.5L118 K119 K120 L125 T126 I265 L268 Q269L118-F122 VanDerWaalsContact O-CB 3.31Å; L118-F122 WeakPolarHBondContact O-CB 3.2Å; L118-F122 PolarHBondContact O-N 3.03Å; K119-F122 PolarHBondContact O-N 3.27Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 PolarHBondContact O-N 3.14Å; F122-L125 PolarHBondContact O-N 2.73Å; F122-T126 VanDerWaalsContact O-CB 3.28Å; F122-T126 WeakPolarHBondContact O-CB 3.37Å; F122-T126 PolarHBondContact O-N 2.68Å; F122-T126 PolarHBondContact O-OG1 3.46Å; F122-I265 HydrophobicContact CD2-CG2 4.48Å; F122-I265 HydrophobicContact CE2-CG2 3.71Å; F122-I265 HydrophobicContact CZ-CG2 4.28Å; F122-L268 HydrophobicContact CD2-CB 4.29Å; F122-Q269 HydrophobicContact CE2-CB 4.07Å
123L84.9Confident86.1Confident17 Ų1749.5 Ų49.59%0.08925%0.249CC..Hα-helixtrans-61.3-48.9174.9178.664.6000111.5K119 K120 L125 T126 E127 L206 P209K119-L123 WeakPolarHBondContact O-CB 3.11Å; K119-L123 PolarHBondContact O-N 3.28Å; K120-L123 WeakPolarHBondContact O-CB 3.48Å; K120-L123 PolarHBondContact O-N 2.88Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 3.38Å; L123-T126 PolarHBondContact O-N 2.89Å; L123-E127 HydrophobicContact CD1-CG 4.39Å; L123-E127 WeakPolarHBondContact O-CG 3.32Å; L123-E127 PolarHBondContact O-N 2.92Å; L123-L206 HydrophobicContact CD1-CB 3.62Å; L123-L206 HydrophobicContact CD1-CD1 3.89Å; L123-L206 HydrophobicContact CD1-CD2 4.07Å; L123-L206 HydrophobicContact CD1-CG 4.06Å; L123-P209 HydrophobicContact CD2-CG 4.37Å
124E85.5Confident85.7Confident78 Ų7848.3 Ų48.336%0.36424%0.236SC..Hα-helixtrans-59.8-41.3179.5-72.6176.6-172.300112.1K120 N121 L128 Y245K120-E124 VanDerWaalsContact CE-OE1 3.26Å; K120-E124 WeakPolarHBondContact CE-OE1 3.36Å; K120-E124 WeakPolarHBondContact O-CG 3.46Å; K120-E124 PolarHBondContact O-N 2.93Å; N121-E124 PolarHBondContact O-N 2.88Å; E124-L128 WeakPolarHBondContact O-CB 3.17Å; E124-L128 PolarHBondContact O-N 3.44Å; E124-Y245 WeakPolarHBondContact CA-OH 3.47Å; E124-Y245 HydrophobicContact CB-CE1 4.49Å; E124-Y245 PolarHBondContact O-OH 3.32Å
125L86.4Confident85.1Confident31 Ų3144.6 Ų44.616%0.16222%0.216CC..Hα-helixtrans-71.5-34.4176.6-71.3169.4000112.8N121 F122 L123 L128 K129 V261 R264 I265 L268N121-L125 WeakPolarHBondContact O-CG 3.45Å; N121-L125 PolarHBondContact O-N 2.87Å; F122-L125 PolarHBondContact O-N 2.73Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 3.38Å; L125-L128 HydrophobicContact CD2-CD2 4.48Å; L125-L128 PolarHBondContact O-N 3.33Å; L125-K129 WeakPolarHBondContact O-CB 3.33Å; L125-K129 PolarHBondContact O-N 3.22Å; L125-V261 HydrophobicContact CB-CG1 4.48Å; L125-V261 HydrophobicContact CD2-CG1 4.38Å; L125-R264 HydrophobicContact CD1-CB 4.4Å; L125-I265 HydrophobicContact CB-CD1 4.24Å; L125-I265 HydrophobicContact CB-CG1 3.88Å; L125-L268 HydrophobicContact CD1-CD1 3.27Å
126T86.3Confident84.7Confident18 Ų1845.1 Ų45.111%0.1122%0.218CC..Hα-helixtrans-68.3-43.8176.1-60.30000110.7F122 L123 L128 K129 H130 L206F122-T126 VanDerWaalsContact O-CB 3.28Å; F122-T126 WeakPolarHBondContact O-CB 3.37Å; F122-T126 PolarHBondContact O-N 2.68Å; F122-T126 PolarHBondContact O-OG1 3.46Å; L123-T126 PolarHBondContact O-N 2.89Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 PolarHBondContact O-N 3.33Å; T126-K129 WeakPolarHBondContact O-CB 3.5Å; T126-K129 PolarHBondContact O-N 2.92Å; T126-H130 PolarHBondContact O-CD2 2.96Å; T126-H130 PolarHBondContact O-N 2.65Å; T126-L206 HydrophobicContact CG2-CD2 3.78Å
127E85.1Confident84.2Confident4 Ų444.2 Ų44.22%0.01921%0.214CC..Hα-helixtrans-55.2-49.5170-74.7-177.2-176.700110.4L123 K129 H130 I131 V174 L206 K217 T243 Y245L123-E127 HydrophobicContact CD1-CG 4.39Å; L123-E127 WeakPolarHBondContact O-CG 3.32Å; L123-E127 PolarHBondContact O-N 2.92Å; E127-K129 PolarHBondContact O-N 2.65Å; E127-H130 PolarHBondContact O-N 3.42Å; E127-I131 WeakPolarHBondContact O-CG1 3.44Å; E127-I131 PolarHBondContact O-N 3.26Å; E127-V174 HydrophobicContact CB-CG2 4.26Å; E127-V174 HydrophobicContact CG-CG1 4.46Å; E127-V174 HydrophobicContact CG-CG2 4.5Å; E127-L206 HydrophobicContact CG-CD1 3.84Å; E127-K217 WeakPolarHBondContact OE1-CD 3.46Å; E127-K217 IonicContact OE1-NZ 2.65Å; E127-K217 PolarHBondContact OE1-NZ 2.96Å; E127-T243 PolarHBondContact OE2-OG1 2.73Å; E127-T243 VanDerWaalsContact OE2-OG1 3.07Å; E127-Y245 HydrophobicContact CB-CE2 3.92Å; E127-Y245 WeakPolarHBondContact OE2-CE2 3.44Å; E127-Y245 PolarHBondContact OE2-OH 3.46Å
128L86.8Confident83.4Confident18 Ų1843.7 Ų43.79%0.09420%0.203CC..Hα-helixtrans-59.5-42.5177.3-176.765.4000112.7E124 L125 T126 I131 L132 Y245 V261E124-L128 WeakPolarHBondContact O-CB 3.17Å; E124-L128 PolarHBondContact O-N 3.44Å; L125-L128 HydrophobicContact CD2-CD2 4.48Å; L125-L128 PolarHBondContact O-N 3.33Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 PolarHBondContact O-N 3.33Å; L128-I131 PolarHBondContact O-N 3.05Å; L128-L132 HydrophobicContact CD1-CD1 4.37Å; L128-L132 HydrophobicContact CD1-CG 4.34Å; L128-L132 HydrophobicContact CG-CD1 4.04Å; L128-L132 HydrophobicContact CG-CG 4.42Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.33Å; L128-L132 PolarHBondContact O-N 3.34Å; L128-Y245 HydrophobicContact CB-CD1 4.24Å; L128-Y245 HydrophobicContact CB-CE1 4.41Å; L128-Y245 HydrophobicContact CD1-CD1 3.97Å; L128-Y245 HydrophobicContact CD1-CG 4.02Å; L128-V261 HydrophobicContact CD2-CG2 3.76Å; L128-V261 HydrophobicContact CG-CG2 4.43Å
129K86.9Confident82.7Confident75 Ų7544.6 Ų44.633%0.32621%0.206SC..Hα-helixtrans-58.5-48.5176.3174.9-175175.51740111.4L125 T126 E127 I131 L132 H133 V261 N262 I265L125-K129 WeakPolarHBondContact O-CB 3.33Å; L125-K129 PolarHBondContact O-N 3.22Å; T126-K129 WeakPolarHBondContact O-CB 3.5Å; T126-K129 PolarHBondContact O-N 2.92Å; E127-K129 PolarHBondContact O-N 2.65Å; K129-I131 VanDerWaalsContact C-N 3.34Å; K129-I131 PolarHBondContact O-N 3.48Å; K129-L132 PolarHBondContact O-N 2.97Å; K129-H133 WeakPolarHBondContact O-CB 3.36Å; K129-H133 PolarHBondContact O-N 3.11Å; K129-V261 HydrophobicContact CB-CG1 4.11Å; K129-N262 VanDerWaalsContact CD-OD1 3.26Å; K129-N262 WeakPolarHBondContact CD-OD1 3.22Å; K129-N262 WeakPolarHBondContact CE-OD1 3.4Å; K129-I265 HydrophobicContact CB-CD1 3.89Å; K129-I265 HydrophobicContact CD-CD1 3.71Å; K129-I265 HydrophobicContact CG-CD1 4.36Å
130H84.4Confident81.9Confident41 Ų4146 Ų4619%0.1922%0.215CC..Hα-helixtrans-64.4-39.2178.5-72.5-65.5000111.8T126 E127 R134 I202 V219T126-H130 PolarHBondContact O-CD2 2.96Å; T126-H130 PolarHBondContact O-N 2.65Å; E127-H130 PolarHBondContact O-N 3.42Å; H130-R134 WeakPolarHBondContact O-CB 3.47Å; H130-R134 VanDerWaalsContact O-CG 3.28Å; H130-R134 WeakPolarHBondContact O-CG 3.5Å; H130-R134 PolarHBondContact O-N 3.4Å; H130-I202 HydrophobicContact CB-CD1 4.15Å; H130-I202 HydrophobicContact CB-CG1 4.4Å; H130-V219 HydrophobicContact CB-CG2 4.48Å
131I84.9Confident80.7Confident1 Ų145 Ų451%0.00521%0.213CC..Hα-helixtrans-60.3-50.8174.1-64164.2000110.4E127 L128 K129 H133 R134 T135 A172 V174 V219 Y245E127-I131 WeakPolarHBondContact O-CG1 3.44Å; E127-I131 PolarHBondContact O-N 3.26Å; L128-I131 PolarHBondContact O-N 3.05Å; K129-I131 VanDerWaalsContact C-N 3.34Å; K129-I131 PolarHBondContact O-N 3.48Å; I131-H133 PolarHBondContact O-N 3.4Å; I131-R134 PolarHBondContact O-N 3.42Å; I131-T135 WeakPolarHBondContact O-CB 3.37Å; I131-T135 PolarHBondContact O-N 2.85Å; I131-T135 PolarHBondContact O-OG1 3.45Å; I131-A172 HydrophobicContact CG2-CB 3.78Å; I131-V174 HydrophobicContact CD1-CG2 3.59Å; I131-V174 HydrophobicContact CG1-CG2 3.68Å; I131-V219 HydrophobicContact CB-CG1 4.37Å; I131-V219 HydrophobicContact CG1-CG1 3.96Å; I131-V219 HydrophobicContact CG1-CG2 4Å; I131-V219 HydrophobicContact CG2-CG1 4.42Å; I131-Y245 HydrophobicContact CD1-CD2 3.13Å; I131-Y245 HydrophobicContact CD1-CE2 3.78Å; I131-Y245 HydrophobicContact CD1-CG 3.78Å
132L83Confident79.2Confident0 Ų045.9 Ų45.90%022%0.215CC..Hα-helixtrans-63-41.8-177.3-68.6171000111.7L128 K129 Q136 R254 M257 L258 V261L128-L132 HydrophobicContact CD1-CD1 4.37Å; L128-L132 HydrophobicContact CD1-CG 4.34Å; L128-L132 HydrophobicContact CG-CD1 4.04Å; L128-L132 HydrophobicContact CG-CG 4.42Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.33Å; L128-L132 PolarHBondContact O-N 3.34Å; K129-L132 PolarHBondContact O-N 2.97Å; L132-Q136 WeakPolarHBondContact O-CB 3.47Å; L132-Q136 PolarHBondContact O-N 3.26Å; L132-R254 HydrophobicContact CB-CG 4.5Å; L132-R254 HydrophobicContact CD2-CG 3.72Å; L132-M257 HydrophobicContact CD1-CB 4.4Å; L132-M257 HydrophobicContact CD1-CG 4.04Å; L132-M257 HydrophobicContact CD1-SD 4.16Å; L132-M257 HydrophobicContact CD2-SD 4.17Å; L132-L258 HydrophobicContact CB-CD1 4.21Å; L132-L258 HydrophobicContact CD1-CB 4.45Å; L132-V261 HydrophobicContact CD1-CG2 4.37Å
133H83.1Confident77.6Confident107 Ų10750.5 Ų50.550%0.49524%0.238SC..Hα-helixtrans-64.8-49.7177.9-173.1-82000112.1K129 I131 Q136 Q137 L258K129-H133 WeakPolarHBondContact O-CB 3.36Å; K129-H133 PolarHBondContact O-N 3.11Å; I131-H133 PolarHBondContact O-N 3.4Å; H133-Q136 PolarHBondContact O-N 2.9Å; H133-Q137 PolarHBondContact O-N 3.14Å; H133-Q137 VanDerWaalsContact O-N 3.15Å; H133-L258 HydrophobicContact CB-CD1 4.39Å
134R80.5Confident75.6Confident56 Ų5654.3 Ų54.321%0.21126%0.258CS..Hα-helixtrans-68.6-39179.6-65.4-65-169.6-170.13.9111.6H130 I131 Q136 Q137 F138 A200 E203H130-R134 WeakPolarHBondContact O-CB 3.47Å; H130-R134 VanDerWaalsContact O-CG 3.28Å; H130-R134 WeakPolarHBondContact O-CG 3.5Å; H130-R134 PolarHBondContact O-N 3.4Å; I131-R134 PolarHBondContact O-N 3.42Å; R134-Q136 VanDerWaalsContact C-N 3.32Å; R134-Q136 PolarHBondContact O-N 2.7Å; R134-Q137 WeakPolarHBondContact O-CB 3.39Å; R134-Q137 PolarHBondContact O-N 2.95Å; R134-Q137 VanDerWaalsContact O-N 3.17Å; R134-F138 HydrophobicContact CB-CD2 4.41Å; R134-F138 HydrophobicContact CB-CE2 4.08Å; R134-F138 WeakPolarHBondContact O-CD2 3.4Å; R134-F138 WeakPolarHBondContact O-CG 3.43Å; R134-F138 PolarHBondContact O-N 3.25Å; R134-A200 HydrophobicContact CB-CB 4.37Å; R134-A200 HydrophobicContact CG-CB 4.22Å; R134-E203 IonicContact NH2-OE1 3.38Å; R134-E203 PolarHBondContact NH2-OE1 2.86Å
135T76.5Confident73.6Confident0 Ų055.6 Ų55.60%027%0.273CS..Hα-helixtrans-61.1-41174.9-56.20000111.3I131 Q137 F138 F139 I221I131-T135 WeakPolarHBondContact O-CB 3.37Å; I131-T135 PolarHBondContact O-N 2.85Å; I131-T135 PolarHBondContact O-OG1 3.45Å; T135-Q137 VanDerWaalsContact C-N 3.34Å; T135-Q137 PolarHBondContact O-N 3.42Å; T135-F138 PolarHBondContact O-N 3.28Å; T135-F139 HydrophobicContact CG2-CD2 3.58Å; T135-F139 HydrophobicContact CG2-CE2 3.58Å; T135-F139 WeakPolarHBondContact O-CD2 3.34Å; T135-F139 PolarHBondContact O-N 2.9Å; T135-I221 HydrophobicContact CG2-CD1 3.92Å; T135-I221 WeakPolarHBondContact OG1-CD1 3.32Å
136Q76.4Confident71.6Confident29 Ų2958.3 Ų58.314%0.13630%0.295CS..Hα-helixtrans-61.6-42.9174.4-173.862.831.500112.1L132 H133 R134 N140L132-Q136 WeakPolarHBondContact O-CB 3.47Å; L132-Q136 PolarHBondContact O-N 3.26Å; H133-Q136 PolarHBondContact O-N 2.9Å; R134-Q136 VanDerWaalsContact C-N 3.32Å; R134-Q136 PolarHBondContact O-N 2.7Å; Q136-N140 PolarHBondContact NE2-OD1 3.37Å; Q136-N140 WeakPolarHBondContact O-CB 3.28Å; Q136-N140 VanDerWaalsContact O-CG 3.22Å; Q136-N140 PolarHBondContact O-N 3.19Å; Q136-N140 PolarHBondContact O-OD1 3.49Å
137Q76.6Confident69.7Low77 Ų7762 Ų6236%0.3631%0.314SS..Hα-helixtrans-60.4-46.1175.7-173.5-178.9-11.200111.5H133 R134 T135 N140 E141H133-Q137 PolarHBondContact O-N 3.14Å; H133-Q137 VanDerWaalsContact O-N 3.15Å; R134-Q137 WeakPolarHBondContact O-CB 3.39Å; R134-Q137 PolarHBondContact O-N 2.95Å; R134-Q137 VanDerWaalsContact O-N 3.17Å; T135-Q137 VanDerWaalsContact C-N 3.34Å; T135-Q137 PolarHBondContact O-N 3.42Å; Q137-N140 PolarHBondContact O-N 3.09Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.38Å; Q137-E141 PolarHBondContact NE2-OE1 3Å; Q137-E141 VanDerWaalsContact NE2-OE1 3.07Å; Q137-E141 WeakPolarHBondContact O-CG 3.37Å; Q137-E141 PolarHBondContact O-N 3.34Å
138F72.6Confident67.7Low36 Ų3667.4 Ų67.416%0.15834%0.342CS..Hα-helixtrans-64.5-40.3180-71.5-56.5000114.3R134 T135 E141 M142 A200 I221R134-F138 HydrophobicContact CB-CD2 4.41Å; R134-F138 HydrophobicContact CB-CE2 4.08Å; R134-F138 WeakPolarHBondContact O-CD2 3.4Å; R134-F138 WeakPolarHBondContact O-CG 3.43Å; R134-F138 PolarHBondContact O-N 3.25Å; T135-F138 PolarHBondContact O-N 3.28Å; F138-E141 PolarHBondContact O-N 3.43Å; F138-M142 PolarHBondContact O-N 3.33Å; F138-M142 VanDerWaalsContact O-N 3.15Å; F138-A200 HydrophobicContact CE2-CB 3.71Å; F138-A200 HydrophobicContact CZ-CB 3.5Å; F138-A200 VanDerWaalsContact CZ-CB 3.5Å; F138-I221 HydrophobicContact CD2-CD1 3.63Å; F138-I221 HydrophobicContact CE2-CD1 4.25Å; F138-I221 HydrophobicContact CG-CD1 4.44Å
139F71.4Confident65.6Low54 Ų5473.8 Ų73.824%0.23737%0.371CS..Hα-helixtrans-71.5-34.8176.8-85.2-77.1000112T135 M142 E143 F170 F223T135-F139 HydrophobicContact CG2-CD2 3.58Å; T135-F139 HydrophobicContact CG2-CE2 3.58Å; T135-F139 WeakPolarHBondContact O-CD2 3.34Å; T135-F139 PolarHBondContact O-N 2.9Å; F139-M142 PolarHBondContact O-N 3.38Å; F139-E143 PolarHBondContact O-N 3.01Å; F139-F170 HydrophobicContact CE2-CE2 4.43Å; F139-F170 HydrophobicContact CE2-CZ 4.35Å; F139-F170 HydrophobicContact CZ-CD1 4.19Å; F139-F170 HydrophobicContact CZ-CE1 4.1Å; F139-F170 HydrophobicContact CZ-CZ 4.37Å; F139-F223 HydrophobicContact CE1-CE1 4.26Å; F139-F223 AromaticContact CZ-CE1 3.86Å; F139-F223 HydrophobicContact CZ-CE1 3.86Å; F139-F223 HydrophobicContact CZ-CZ 4.22Å
140N68.9Low63.5Low84 Ų8477.1 Ų77.145%0.44939%0.388SS..Hα-helixtrans-65.5-38.7172.9-73.82000111.6Q136 Q137 M142 E143Q136-N140 PolarHBondContact NE2-OD1 3.37Å; Q136-N140 WeakPolarHBondContact O-CB 3.28Å; Q136-N140 VanDerWaalsContact O-CG 3.22Å; Q136-N140 PolarHBondContact O-N 3.19Å; Q136-N140 PolarHBondContact O-OD1 3.49Å; Q137-N140 PolarHBondContact O-N 3.09Å; N140-M142 VanDerWaalsContact C-N 3.27Å; N140-M142 PolarHBondContact O-N 3.47Å; N140-E143 PolarHBondContact O-N 2.91Å
141E61.9Low61.4Low92 Ų9279.1 Ų79.143%0.4341%0.407SS..Hα-helixtrans-67.2-24.9174.5-74170.9-169.900112.7Q137 F138Q137-E141 WeakPolarHBondContact CG-OE1 3.38Å; Q137-E141 PolarHBondContact NE2-OE1 3Å; Q137-E141 VanDerWaalsContact NE2-OE1 3.07Å; Q137-E141 WeakPolarHBondContact O-CG 3.37Å; Q137-E141 PolarHBondContact O-N 3.34Å; F138-E141 PolarHBondContact O-N 3.43Å
142M55.3Low59.4Low94 Ų9482.8 Ų82.846%0.46343%0.432SS..Hα-helixtrans-79.1-16.5173-91.9-176.7159.400113.9F138 F139 N140 D144F138-M142 PolarHBondContact O-N 3.33Å; F138-M142 VanDerWaalsContact O-N 3.15Å; F139-M142 PolarHBondContact O-N 3.38Å; N140-M142 VanDerWaalsContact C-N 3.27Å; N140-M142 PolarHBondContact O-N 3.47Å; M142-D144 VanDerWaalsContact C-N 3.26Å
143E52.2Low57.6Low148 Ų14889 Ų8969%0.69246%0.464SS*.THydrogen-bonded Turntrans-82.2-1.2175.2-75.3-178.9168.900112.9F139 N140F139-E143 PolarHBondContact O-N 3.01Å; N140-E143 PolarHBondContact O-N 2.91Å
144D43.1Very low55.9Low97 Ų9791.8 Ų91.852%0.51948%0.482SS..SBendtrans-72.7123172.9-103.3-23.6000111.2M142 S146M142-D144 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.33Å
145P42.6Very low54.1Low105 Ų10596 Ų9668%0.68251%0.508SS*.THydrogen-bonded Turntrans-62-12.7-172.1-23.932.2000116.6
146S45.5Very low52.5Low89 Ų89103.3 Ų103.362%0.62255%0.547SS*.THydrogen-bonded Turntrans-83.4-15.9-17352.40000114.8D144D144-S146 PolarHBondContact O-N 3.33Å
147L45.7Very low51Low96 Ų96108 Ų10850%0.50358%0.58SS.*SBendtrans-100.7-9.6-177.1-73.4169.5000114.2E149L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 3.28Å
148L44.1Very low49.2Very low116 Ų116111.4 Ų111.461%0.60760%0.601SS**Hα-helixtrans-69.5-25.4176.5-79.5164.1000112.6S151L148-S151 PolarHBondContact O-OG 2.88Å
149E42.4Very low47.5Very low153 Ų153118.6 Ų118.672%0.71564%0.635SS**Hα-helixtrans-67.8-34.9176.6-89-177.8159.500113.3L147 S152 I153L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 3.28Å; E149-S152 PolarHBondContact O-OG 3.36Å; E149-I153 WeakPolarHBondContact O-CD1 3.41Å; E149-I153 WeakPolarHBondContact O-CG1 3.31Å
150E41.8Very low46.3Very low144 Ų144121.6 Ų121.667%0.67366%0.66SS**Hα-helixtrans-73.8-28.8-179.4-99.7-177.4166.200112.9S152E150-S152 VanDerWaalsContact C-N 3.32Å; E150-S152 PolarHBondContact O-N 3.19Å
151S41.9Very low44.9Very low84 Ų84124.1 Ų124.159%0.58768%0.678SS**Hα-helixtrans-74.4-21.2178.970.80000113.8L148 I153L148-S151 PolarHBondContact O-OG 2.88Å; S151-I153 VanDerWaalsContact C-N 3.35Å
152S41.3Very low43.6Very low77 Ų77131.2 Ų131.254%0.53870%0.701SS.*G310 helixtrans-79.9-7.6177.540.70000115.1E149 E150E149-S152 PolarHBondContact O-OG 3.36Å; E150-S152 VanDerWaalsContact C-N 3.32Å; E150-S152 PolarHBondContact O-N 3.19Å
153I45.9Very low43Very low132 Ų132134 Ų13468%0.67772%0.723SS**G310 helixtrans-91.1-3.4-169.6-59.9170.8000113.3E149 S151E149-I153 WeakPolarHBondContact O-CD1 3.41Å; E149-I153 WeakPolarHBondContact O-CG1 3.31Å; S151-I153 VanDerWaalsContact C-N 3.35Å
154L46.6Very low42.2Very low165 Ų165130 Ų13086%0.86472%0.715SS**G310 helixtrans-10514.7-179.5-74.1173.9000115.2
155L42.7Very low42.3Very low144 Ų144131 Ų13175%0.75473%0.727SS**SBendtrans-115.8134.1174.1-76.4160.4000110.6
156D43.4Very low42.6Very low154 Ų154132 Ų13282%0.82473%0.726SS**  trans-45.3135.5179.9-106.6-37.4000112.2N158D156-N158 PolarHBondContact O-N 2.95Å
157P44.4Very low43Very low126 Ų126138.6 Ų138.682%0.81874%0.737SS**THydrogen-bonded Turntrans-72.23-170.1-1529.4000115.8
158N39.6Very low43.9Very low150 Ų150138.2 Ų138.280%0.80274%0.735SS**THydrogen-bonded Turntrans-113.914.9-156.3-117.414000117.2D156D156-N158 PolarHBondContact O-N 2.95Å
159E36.7Very low45.2Very low187 Ų187133.9 Ų133.987%0.87472%0.719SS**  trans-132.2111.3165.2-78-162158.100112.4
160P45.3Very low47.2Very low117 Ų117128.1 Ų128.176%0.7669%0.691SS**  trans-93.7104.8170.333.3-23.7000108.7
161T40.3Very low49.3Very low137 Ų137122 Ų12284%0.8466%0.664SS**  trans165.1116.6137.630.50000112.9
162R35.6Very low51.3Low240 Ų240118.1 Ų118.191%0.90664%0.636SS**  trans14194.4140.6-80.1178.4178.6-175.81.6110.3A164R162-A164 PolarHBondContact O-N 3.4Å
163V42.3Very low53.6Low154 Ų154114.4 Ų114.493%0.93361%0.611SS**  trans-74.476.7159.8-172.90000107.3
164A35.7Very low55.6Low63 Ų63108.2 Ų108.252%0.52158%0.579SS.*  trans-77.9138.8152.500000106.6R162 L166R162-A164 PolarHBondContact O-N 3.4Å; A164-L166 PolarHBondContact O-N 3.21Å
165P43.8Very low57.6Low119 Ų119100.7 Ų100.777%0.77354%0.539SS*.  trans-59113.817424.4-30.7000107.7R167P165-R167 PolarHBondContact O-N 2.9Å
166L48.6Very low59.7Low125 Ų12594.9 Ų94.965%0.65452%0.515SS*.  trans-60.3107.8175.3-86.5101.6000108.1A164 L168A164-L166 PolarHBondContact O-N 3.21Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 2.88Å
167R54.4Low61.6Low228 Ų22893.9 Ų93.986%0.8650%0.499SS*.  trans-72.989.2168.3-94.1-175.7166.7176.9-3.9108.9P165P165-R167 PolarHBondContact O-N 2.9Å
168L65.3Low63.6Low88 Ų8896.4 Ų96.446%0.46150%0.5SS..  trans-73.9127.3167.2-72.2161.7000108.8L166 Q225L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 2.88Å; L168-Q225 HydrophobicContact CD2-CB 4.41Å
169G72.1Confident65.9Low25 Ų2595 Ų9526%0.25848%0.484SS..EExtended strand (participates in β ladder)trans-79.3137.9168.300000109.1F224G169-F224 PolarHBondContact N-O 3.06Å; G169-F224 PolarHBondContact O-N 2.98Å
170F82.6Confident68.2Low32 Ų3286.7 Ų86.714%0.1445%0.445CS..EExtended strand (participates in β ladder)trans-125154.3173.472.5-85.2000112F139 I221 I222 F223 C247 E249F139-F170 HydrophobicContact CE2-CE2 4.43Å; F139-F170 HydrophobicContact CE2-CZ 4.35Å; F139-F170 HydrophobicContact CZ-CD1 4.19Å; F139-F170 HydrophobicContact CZ-CE1 4.1Å; F139-F170 HydrophobicContact CZ-CZ 4.37Å; F170-I221 HydrophobicContact CB-CG2 4.39Å; F170-I221 HydrophobicContact CD2-CG2 4.26Å; F170-I222 CarbonylContact C-O 3.55Å; F170-I222 WeakPolarHBondContact CA-O 3.3Å; F170-F223 HydrophobicContact CB-CD1 3.7Å; F170-F223 HydrophobicContact CB-CE1 3.9Å; F170-F223 HydrophobicContact CB-CG 4.42Å; F170-F223 HydrophobicContact CG-CE1 4.41Å; F170-C247 HydrophobicContact CE2-CB 3.85Å; F170-C247 HydrophobicContact CZ-CB 4.34Å; F170-E249 HydrophobicContact CE1-CB 4.47Å; F170-E249 HydrophobicContact CE1-CG 3.99Å
171V85.9Confident70.3Confident15 Ų1584.4 Ų84.49%0.09143%0.431CS..EExtended strand (participates in β ladder)trans-131.7130.1173.41670000107.9I221 I222 F224 L244V171-I221 WeakPolarHBondContact O-CA 3.3Å; V171-I222 PolarHBondContact N-O 3.25Å; V171-I222 PolarHBondContact O-N 2.81Å; V171-F224 HydrophobicContact CB-CE1 3.97Å; V171-F224 HydrophobicContact CG2-CE1 3.54Å; V171-F224 HydrophobicContact CG2-CZ 3.72Å; V171-L244 HydrophobicContact CG1-CD2 3.38Å
172A84.8Confident72.7Confident2 Ų281 Ų812%0.01741%0.41CS..EExtended strand (participates in β ladder)trans-114.1144.2176.500000110.5I131 F220 I221 Y245I131-A172 HydrophobicContact CG2-CB 3.78Å; A172-F220 WeakPolarHBondContact CA-O 3.33Å; A172-I221 HydrophobicContact CB-CG1 4.23Å; A172-Y245 PolarHBondContact O-N 2.85Å
173G88.5Confident75.2Confident0 Ų069.7 Ų69.70%037%0.367CS..EExtended strand (participates in β ladder)trans-163.6178.5178.800000112.8F220 T243G173-F220 PolarHBondContact N-O 3.46Å; G173-F220 VanDerWaalsContact O-CD1 3.26Å; G173-F220 WeakPolarHBondContact O-CD1 3.34Å; G173-F220 PolarHBondContact O-N 2.92Å; G173-T243 CarbonylContact C-O 3.55Å; G173-T243 WeakPolarHBondContact CA-O 3.4Å
174V88.1Confident77.4Confident2 Ų267 Ų671%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-122141.6-179.7178.50000109.4E127 I131 K217 S218 V219 A242 T243E127-V174 HydrophobicContact CB-CG2 4.26Å; E127-V174 HydrophobicContact CG-CG1 4.46Å; E127-V174 HydrophobicContact CG-CG2 4.5Å; I131-V174 HydrophobicContact CD1-CG2 3.59Å; I131-V174 HydrophobicContact CG1-CG2 3.68Å; V174-K217 HydrophobicContact CG1-CB 3.51Å; V174-K217 HydrophobicContact CG1-CD 3.77Å; V174-K217 HydrophobicContact CG1-CG 4.18Å; V174-S218 WeakPolarHBondContact CA-O 3.44Å; V174-V219 HydrophobicContact CG2-CG2 4.21Å; V174-A242 WeakPolarHBondContact O-CA 3.29Å; V174-T243 PolarHBondContact N-O 3.48Å; V174-T243 PolarHBondContact O-N 3.47Å; V174-T243 VanDerWaalsContact O-N 3.13Å
175I89.4Confident79.8Confident6 Ų670.8 Ų70.83%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-142.7150179.1-167170.2000110.2R179 I180 F183 K217 S218 F220 F240 A242I175-R179 HydrophobicContact CD1-CB 4.18Å; I175-R179 HydrophobicContact CG1-CB 4.33Å; I175-I180 HydrophobicContact CG2-CD1 4.15Å; I175-I180 HydrophobicContact CG2-CG1 3.57Å; I175-F183 HydrophobicContact CD1-CB 3.95Å; I175-F183 HydrophobicContact CD1-CD1 4.41Å; I175-F183 HydrophobicContact CD1-CD2 3.98Å; I175-F183 HydrophobicContact CD1-CG 3.87Å; I175-K217 CarbonylContact O-C 3.54Å; I175-K217 WeakPolarHBondContact O-CA 3.46Å; I175-S218 PolarHBondContact N-O 3.37Å; I175-S218 PolarHBondContact O-N 2.88Å; I175-F220 HydrophobicContact CB-CD1 4.06Å; I175-F220 HydrophobicContact CB-CE1 3.92Å; I175-F220 HydrophobicContact CG2-CD1 3.69Å; I175-F220 HydrophobicContact CG2-CE1 4.08Å; I175-F240 HydrophobicContact CD1-CB 4.09Å; I175-A242 HydrophobicContact CB-CB 4.36Å; I175-A242 HydrophobicContact CG1-CB 4.5Å
176G86.7Confident81.9Confident23 Ų2369 Ų6924%0.23733%0.328CS..EExtended strand (participates in β ladder)trans-62.4136.9173.200000111.8E178 R179G176-E178 PolarHBondContact O-N 2.99Å; G176-E178 VanDerWaalsContact O-N 3.17Å; G176-R179 PolarHBondContact O-N 3.4Å
177R84.4Confident83.7Confident132 Ų13263.3 Ų63.350%0.49830%0.298SS..G310 helixtrans-56.2-36.3-172.7-168.9174.4-167.6-176.87.3113.6R179 I180 D201 H216R177-R179 PolarHBondContact O-N 2.97Å; R177-I180 HydrophobicContact CG-CD1 4.47Å; R177-I180 PolarHBondContact O-N 3.48Å; R177-D201 IonicContact CZ-OD2 2.66Å; R177-D201 IonicContact NE-OD2 3.54Å; R177-D201 PolarHBondContact NE-OD2 2.96Å; R177-D201 IonicContact NH2-OD2 2.87Å; R177-D201 PolarHBondContact NH2-OD2 2.88Å; R177-H216 HydrophobicContact CB-CB 4.27Å; R177-H216 WeakPolarHBondContact CB-O 3.28Å; R177-H216 PolarHBondContact N-O 2.64Å
178E86.1Confident85.2Confident179 Ų17960.7 Ų60.784%0.83629%0.288SS*.G310 helixtrans-62.8-28.7-179.6-58-178.216600113.6G176G176-E178 PolarHBondContact O-N 2.99Å; G176-E178 VanDerWaalsContact O-N 3.17Å
179R86.4Confident86.2Confident120 Ų12065.6 Ų65.645%0.45330%0.3SS..G310 helixtrans-92.6-10-172.4-62.4-175.4-178-167.9-0113.3I175 G176 R177 T182 F183 F240I175-R179 HydrophobicContact CD1-CB 4.18Å; I175-R179 HydrophobicContact CG1-CB 4.33Å; G176-R179 PolarHBondContact O-N 3.4Å; R177-R179 PolarHBondContact O-N 2.97Å; R179-T182 PolarHBondContact O-N 3.48Å; R179-F183 WeakPolarHBondContact O-CB 3.23Å; R179-F183 PolarHBondContact O-N 3.39Å; R179-F240 PolarHBondContact NH1-O 3.49Å
180I86.4Confident86.8Confident14 Ų1466.9 Ų66.97%0.07230%0.303CS..Hα-helixtrans-58-49.8-175.4-72.7170.1000113.3I175 R177 T182 F183 E184 S218I175-I180 HydrophobicContact CG2-CD1 4.15Å; I175-I180 HydrophobicContact CG2-CG1 3.57Å; R177-I180 HydrophobicContact CG-CD1 4.47Å; R177-I180 PolarHBondContact O-N 3.48Å; I180-T182 PolarHBondContact O-N 2.74Å; I180-T182 VanDerWaalsContact O-N 3.15Å; I180-F183 WeakPolarHBondContact O-CB 3.34Å; I180-F183 PolarHBondContact O-N 3.37Å; I180-F183 VanDerWaalsContact O-N 3.09Å; I180-E184 PolarHBondContact O-N 2.89Å; I180-S218 VanDerWaalsContact CD1-OG 3.23Å; I180-S218 WeakPolarHBondContact CD1-OG 3.35Å
181P88.8Confident86.7Confident69 Ų6965.5 Ų65.545%0.44830%0.297SS..Hα-helixtrans-64.9-26.3-177.2-22.134.1000112.8R185P181-R185 VanDerWaalsContact O-CG 3.28Å; P181-R185 WeakPolarHBondContact O-CG 3.44Å; P181-R185 PolarHBondContact O-N 2.94Å; P181-R185 PolarHBondContact O-NE 2.81Å
182T90.3Very high86.5Confident66 Ų6675.2 Ų75.241%0.40533%0.332SS..Hα-helixtrans-82-37177-50.50000110.9R179 I180 R185 M186 F240R179-T182 PolarHBondContact O-N 3.48Å; I180-T182 PolarHBondContact O-N 2.74Å; I180-T182 VanDerWaalsContact O-N 3.15Å; T182-R185 PolarHBondContact OG1-NH2 2.95Å; T182-M186 WeakPolarHBondContact O-CB 3.3Å; T182-M186 PolarHBondContact O-N 3.24Å; T182-M186 VanDerWaalsContact O-N 3.08Å; T182-F240 HydrophobicContact CG2-CE1 3.98Å; T182-F240 HydrophobicContact CG2-CZ 4.23Å
183F89.7Confident85.9Confident2 Ų276.5 Ų76.51%0.00935%0.345CS..Hα-helixtrans-61-49.2174-179.8-107.9000111.9I175 R179 I180 R185 M186 L187 L197 F220 I222 I236 F240I175-F183 HydrophobicContact CD1-CB 3.95Å; I175-F183 HydrophobicContact CD1-CD1 4.41Å; I175-F183 HydrophobicContact CD1-CD2 3.98Å; I175-F183 HydrophobicContact CD1-CG 3.87Å; R179-F183 WeakPolarHBondContact O-CB 3.23Å; R179-F183 PolarHBondContact O-N 3.39Å; I180-F183 WeakPolarHBondContact O-CB 3.34Å; I180-F183 PolarHBondContact O-N 3.37Å; I180-F183 VanDerWaalsContact O-N 3.09Å; F183-R185 PolarHBondContact O-N 3.32Å; F183-M186 PolarHBondContact O-N 3.48Å; F183-L187 WeakPolarHBondContact O-CB 3.41Å; F183-L187 PolarHBondContact O-N 3.25Å; F183-L197 HydrophobicContact CE1-CD1 4.22Å; F183-F220 HydrophobicContact CE1-CD2 4.01Å; F183-F220 HydrophobicContact CE1-CE2 4.09Å; F183-F220 HydrophobicContact CE1-CG 4.29Å; F183-F220 HydrophobicContact CE1-CZ 4.43Å; F183-F220 HydrophobicContact CZ-CD2 4.32Å; F183-F220 AromaticContact CZ-CE2 3.94Å; F183-F220 HydrophobicContact CZ-CE2 3.94Å; F183-F220 HydrophobicContact CZ-CZ 4.13Å; F183-I222 HydrophobicContact CE1-CD1 4.07Å; F183-I222 HydrophobicContact CZ-CD1 3.85Å; F183-I236 HydrophobicContact CD2-CG2 4.17Å; F183-I236 HydrophobicContact CE2-CG2 3.85Å; F183-F240 HydrophobicContact CB-CD1 4.49Å; F183-F240 HydrophobicContact CD2-CB 4.04Å; F183-F240 AromaticContact CD2-CD2 3.62Å; F183-F240 HydrophobicContact CD2-CD2 3.62Å; F183-F240 HydrophobicContact CD2-CE2 4.18Å; F183-F240 AromaticContact CD2-CG 3.82Å; F183-F240 HydrophobicContact CD2-CG 3.82Å; F183-F240 HydrophobicContact CE2-CD2 4.29Å
184E87.2Confident85.5Confident96 Ų9682 Ų8245%0.44938%0.375SS..Hα-helixtrans-60.1-48.2178-177.3-177.5-17500112I180 M186 L187 W188 L197I180-E184 PolarHBondContact O-N 2.89Å; E184-M186 VanDerWaalsContact C-N 3.28Å; E184-M186 PolarHBondContact O-N 2.95Å; E184-L187 PolarHBondContact O-N 3.49Å; E184-W188 WeakPolarHBondContact O-CB 3.28Å; E184-W188 PolarHBondContact O-N 3.29Å; E184-L197 HydrophobicContact CB-CD2 3.9Å; E184-L197 HydrophobicContact CG-CD2 3.88Å
185R87.3Confident85.1Confident143 Ų14382.7 Ų82.754%0.5438%0.379SS..Hα-helixtrans-59.9-37.7177.9-75.2-177.2-68.2167.20.4112.4P181 T182 F183 R189P181-R185 VanDerWaalsContact O-CG 3.28Å; P181-R185 WeakPolarHBondContact O-CG 3.44Å; P181-R185 PolarHBondContact O-N 2.94Å; P181-R185 PolarHBondContact O-NE 2.81Å; T182-R185 PolarHBondContact OG1-NH2 2.95Å; F183-R185 PolarHBondContact O-N 3.32Å; R185-R189 WeakPolarHBondContact O-CB 3.2Å; R185-R189 WeakPolarHBondContact O-CG 3.31Å; R185-R189 PolarHBondContact O-N 3.48Å; R185-R189 VanDerWaalsContact O-N 3.15Å
186M87.2Confident84.9Confident83 Ų8387.1 Ų87.141%0.40940%0.398SS..Hα-helixtrans-71.2-43.2177.6-17161.6174.300111.5T182 F183 E184 W188 R189 V190 I236 F240T182-M186 WeakPolarHBondContact O-CB 3.3Å; T182-M186 PolarHBondContact O-N 3.24Å; T182-M186 VanDerWaalsContact O-N 3.08Å; F183-M186 PolarHBondContact O-N 3.48Å; E184-M186 VanDerWaalsContact C-N 3.28Å; E184-M186 PolarHBondContact O-N 2.95Å; M186-W188 VanDerWaalsContact C-N 3.34Å; M186-W188 PolarHBondContact O-N 2.86Å; M186-R189 PolarHBondContact O-N 3.46Å; M186-V190 HydrophobicContact CE-CG2 3.84Å; M186-V190 HydrophobicContact CG-CG2 4.46Å; M186-V190 WeakPolarHBondContact O-CG2 3.29Å; M186-V190 PolarHBondContact O-N 3.1Å; M186-V190 HydrophobicContact SD-CG2 4.15Å; M186-I236 HydrophobicContact CG-CG2 4.45Å; M186-F240 HydrophobicContact CB-CE2 3.87Å; M186-F240 HydrophobicContact CB-CZ 3.94Å; M186-F240 HydrophobicContact CG-CE2 3.91Å; M186-F240 HydrophobicContact CG-CZ 4.27Å
187L86.9Confident84.7Confident5 Ų587.6 Ų87.63%0.02640%0.395CS..Hα-helixtrans-58.9-46.7176.6-161.875.4000110.7F183 E184 R189 C191 V195 L197 I222 V233 I236F183-L187 WeakPolarHBondContact O-CB 3.41Å; F183-L187 PolarHBondContact O-N 3.25Å; E184-L187 PolarHBondContact O-N 3.49Å; L187-R189 PolarHBondContact O-N 3.26Å; L187-C191 VanDerWaalsContact O-CB 3.25Å; L187-C191 WeakPolarHBondContact O-CB 3.47Å; L187-C191 PolarHBondContact O-N 3.44Å; L187-V195 HydrophobicContact CD2-CG1 3.74Å; L187-V195 HydrophobicContact CG-CG1 4.11Å; L187-L197 HydrophobicContact CD2-CB 4.22Å; L187-L197 HydrophobicContact CD2-CD1 4.34Å; L187-I222 HydrophobicContact CD1-CD1 4.18Å; L187-I222 HydrophobicContact CD2-CD1 3.97Å; L187-I222 HydrophobicContact CD2-CG1 4.42Å; L187-I222 HydrophobicContact CD2-CG2 4.22Å; L187-V233 HydrophobicContact CD1-CG1 4.39Å; L187-V233 HydrophobicContact CD1-CG2 4.16Å; L187-I236 HydrophobicContact CD1-CD1 4.17Å
188W85.3Confident84.7Confident172 Ų17286.9 Ų86.965%0.65239%0.393SS*.Hα-helixtrans-60.3-46.1177.2-172.5-94.9000112.6E184 M186 R192 G193E184-W188 WeakPolarHBondContact O-CB 3.28Å; E184-W188 PolarHBondContact O-N 3.29Å; M186-W188 VanDerWaalsContact C-N 3.34Å; M186-W188 PolarHBondContact O-N 2.86Å; W188-R192 WeakPolarHBondContact O-CA 3.48Å; W188-R192 PolarHBondContact O-N 3.11Å; W188-G193 PolarHBondContact O-N 2.95Å
189R85.7Confident84.6Confident191 Ų19182.8 Ų82.872%0.72137%0.374SS*.Hα-helixtrans-64.6-42.8-178.7-77.1174.7-179.5-165.5-0.2113.1R185 M186 L187R185-R189 WeakPolarHBondContact O-CB 3.2Å; R185-R189 WeakPolarHBondContact O-CG 3.31Å; R185-R189 PolarHBondContact O-N 3.48Å; R185-R189 VanDerWaalsContact O-N 3.15Å; M186-R189 PolarHBondContact O-N 3.46Å; L187-R189 PolarHBondContact O-N 3.26Å
190V85.7Confident84.6Confident52 Ų5277.8 Ų77.832%0.31536%0.358SS..Hα-helixtrans-78.6-37.5-176.3177.40000111.7M186 I236M186-V190 HydrophobicContact CE-CG2 3.84Å; M186-V190 HydrophobicContact CG-CG2 4.46Å; M186-V190 WeakPolarHBondContact O-CG2 3.29Å; M186-V190 PolarHBondContact O-N 3.1Å; M186-V190 HydrophobicContact SD-CG2 4.15Å; V190-I236 HydrophobicContact CB-CD1 4.01Å; V190-I236 HydrophobicContact CG1-CD1 4.1Å; V190-I236 HydrophobicContact CG2-CD1 4.24Å
191C80.1Confident84.4Confident4 Ų480.1 Ų80.13%0.02737%0.37CS..Hα-helixtrans-92.90.3-176.2-63.80000113.9L187 G193 N194 V195 L229L187-C191 VanDerWaalsContact O-CB 3.25Å; L187-C191 WeakPolarHBondContact O-CB 3.47Å; L187-C191 PolarHBondContact O-N 3.44Å; C191-G193 PolarHBondContact O-N 2.9Å; C191-G193 VanDerWaalsContact O-N 3.17Å; C191-N194 WeakPolarHBondContact O-CB 3.32Å; C191-N194 PolarHBondContact O-N 2.81Å; C191-V195 HydrophobicContact CB-CB 4.01Å; C191-V195 HydrophobicContact CB-CG2 3.52Å; C191-L229 HydrophobicContact CB-CD2 4.23Å
192R80.8Confident84Confident219 Ų21977.3 Ų77.383%0.82635%0.351SS*.THydrogen-bonded Turntrans51.934.5177.5-59.3-174.1176.9-172.9-1.3113.8W188 N194W188-R192 WeakPolarHBondContact O-CA 3.48Å; W188-R192 PolarHBondContact O-N 3.11Å; R192-N194 VanDerWaalsContact C-N 3.35Å
193G74.2Confident83.2Confident28 Ų2881.5 Ų81.529%0.28937%0.366SS..THydrogen-bonded Turntrans82.10.1-179.400000116W188 C191 V195W188-G193 PolarHBondContact O-N 2.95Å; C191-G193 PolarHBondContact O-N 2.9Å; C191-G193 VanDerWaalsContact O-N 3.17Å; G193-V195 PolarHBondContact O-N 3.4Å; G193-V195 VanDerWaalsContact O-N 3.13Å
194N80Confident82.5Confident116 Ų11686.3 Ų86.362%0.6239%0.392SS*.  trans-81.416.4-178.4-63.8-4.7000114.1C191 R192C191-N194 WeakPolarHBondContact O-CB 3.32Å; C191-N194 PolarHBondContact O-N 2.81Å; R192-N194 VanDerWaalsContact C-N 3.35Å
195V79.7Confident81.8Confident16 Ų1684 Ų8410%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-136.5129.8-173.6171.70000108.9L187 C191 G193 I222 F224 L229 V233L187-V195 HydrophobicContact CD2-CG1 3.74Å; L187-V195 HydrophobicContact CG-CG1 4.11Å; C191-V195 HydrophobicContact CB-CB 4.01Å; C191-V195 HydrophobicContact CB-CG2 3.52Å; G193-V195 PolarHBondContact O-N 3.4Å; G193-V195 VanDerWaalsContact O-N 3.13Å; V195-I222 HydrophobicContact CG1-CG2 3.1Å; V195-F224 HydrophobicContact CG2-CB 4.09Å; V195-L229 HydrophobicContact CG2-CD2 4.29Å; V195-V233 HydrophobicContact CG2-CG2 4.48Å
196F83.4Confident81.1Confident100 Ų10078 Ų7844%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-104119.4-179.1-171.2-111.1000110.1R198 I222 F223F196-R198 HydrophobicContact CD1-CG 4.19Å; F196-R198 HydrophobicContact CE1-CG 3.64Å; F196-R198 VanDerWaalsContact CE1-NE 3.26Å; F196-R198 HydrophobicContact CZ-CG 4.37Å; F196-R198 VanDerWaalsContact CZ-NE 3.35Å; F196-I222 WeakPolarHBondContact O-CA 3.29Å; F196-F223 HydrophobicContact CB-CB 4.3Å; F196-F223 AromaticContact CD1-CD2 3.91Å; F196-F223 HydrophobicContact CD1-CD2 3.91Å; F196-F223 HydrophobicContact CD1-CE2 4.5Å; F196-F223 PolarHBondContact N-O 3.27Å; F196-F223 PolarHBondContact O-N 3Å
197L84.1Confident80.3Confident33 Ų3378.8 Ų78.817%0.17337%0.367CS..EExtended strand (participates in β ladder)trans-102.9125.7179.6178.970.5000109.5F183 E184 L187 F220 I222F183-L197 HydrophobicContact CE1-CD1 4.22Å; E184-L197 HydrophobicContact CB-CD2 3.9Å; E184-L197 HydrophobicContact CG-CD2 3.88Å; L187-L197 HydrophobicContact CD2-CB 4.22Å; L187-L197 HydrophobicContact CD2-CD1 4.34Å; L197-F220 HydrophobicContact CD1-CB 3.92Å; L197-F220 HydrophobicContact CD1-CD2 4.19Å; L197-F220 HydrophobicContact CD1-CG 4.44Å; L197-I222 HydrophobicContact CD1-CD1 4.29Å; L197-I222 HydrophobicContact CD1-CG1 3.75Å
198R83.8Confident79.4Confident117 Ų11780.6 Ų80.644%0.44238%0.377SS..EExtended strand (participates in β ladder)trans-112.7139.7164.9-74.3-71.3-170.8170-0.5108.8F196 F220 I221 F223F196-R198 HydrophobicContact CD1-CG 4.19Å; F196-R198 HydrophobicContact CE1-CG 3.64Å; F196-R198 VanDerWaalsContact CE1-NE 3.26Å; F196-R198 HydrophobicContact CZ-CG 4.37Å; F196-R198 VanDerWaalsContact CZ-NE 3.35Å; R198-F220 CarbonylContact O-C 3.59Å; R198-F220 VanDerWaalsContact O-CA 3.26Å; R198-F220 WeakPolarHBondContact O-CA 3.13Å; R198-I221 PolarHBondContact N-O 3.35Å; R198-I221 PolarHBondContact O-N 3.09Å; R198-F223 HydrophobicContact CG-CE2 4.44Å
199Q84.6Confident78.4Confident93 Ų9374.2 Ų74.244%0.43536%0.357SS..EExtended strand (participates in β ladder)trans-129.7145.9178.767.4-170.610.800110.7V219Q199-V219 CarbonylContact C-O 3.6Å; Q199-V219 VanDerWaalsContact CA-O 3.32Å; Q199-V219 WeakPolarHBondContact CA-O 3.43Å
200A84.8Confident77.4Confident15 Ų1570.7 Ų70.712%0.12436%0.357CS..EExtended strand (participates in β ladder)trans-136.5131.2171.800000108.9R134 F138 S218 V219R134-A200 HydrophobicContact CB-CB 4.37Å; R134-A200 HydrophobicContact CG-CB 4.22Å; F138-A200 HydrophobicContact CE2-CB 3.71Å; F138-A200 HydrophobicContact CZ-CB 3.5Å; F138-A200 VanDerWaalsContact CZ-CB 3.5Å; A200-S218 CarbonylContact O-C 3.27Å; A200-S218 WeakPolarHBondContact O-CA 3.47Å; A200-S218 WeakPolarHBondContact O-CB 3.35Å; A200-V219 PolarHBondContact N-O 2.9Å; A200-V219 PolarHBondContact O-N 3Å
201D82.6Confident76.4Confident63 Ų6371.4 Ų71.434%0.33737%0.365SS..EExtended strand (participates in β ladder)trans-77.1141.4176.2-68.5-16.7000110.6R177 S218R177-D201 IonicContact CZ-OD2 2.66Å; R177-D201 IonicContact NE-OD2 3.54Å; R177-D201 PolarHBondContact NE-OD2 2.96Å; R177-D201 IonicContact NH2-OD2 2.87Å; R177-D201 PolarHBondContact NH2-OD2 2.88Å; D201-S218 WeakPolarHBondContact OD1-CB 3.34Å; D201-S218 PolarHBondContact OD1-OG 3.49Å
202I81.7Confident75.7Confident9 Ų973.1 Ų73.15%0.04638%0.382CS..  trans-88124.3167.2-53.3175.3000106.6H130 D204 L206 K217 V219H130-I202 HydrophobicContact CB-CD1 4.15Å; H130-I202 HydrophobicContact CB-CG1 4.4Å; I202-D204 WeakPolarHBondContact CG2-O 3.23Å; I202-L206 HydrophobicContact CD1-CD1 4.31Å; I202-K217 VanDerWaalsContact CB-O 3.26Å; I202-K217 WeakPolarHBondContact CB-O 3.36Å; I202-K217 HydrophobicContact CD1-CB 4.36Å; I202-K217 WeakPolarHBondContact CG1-O 3.08Å; I202-K217 PolarHBondContact N-O 3.36Å; I202-V219 HydrophobicContact CD1-CG2 3.99Å; I202-V219 HydrophobicContact CG1-CG2 3.99Å
203E73.3Confident75.3Confident154 Ų15467.4 Ų67.472%0.7237%0.368SS*.SBendtrans-73.2-39.1-177.2-70.7169-141.900111.2R134R134-E203 IonicContact NH2-OE1 3.38Å; R134-E203 PolarHBondContact NH2-OE1 2.86Å
204D73.6Confident75.4Confident103 Ų10373 Ų7355%0.55139%0.387SS*.SBendtrans-79.9124.7178.7-60.6-41.5000110.9I202I202-D204 WeakPolarHBondContact CG2-O 3.23Å
205P73.1Confident75.3Confident48 Ų4869.5 Ų69.531%0.31237%0.37SS..PPolyproline II helixtrans-66.9135.6172.426.4-30.6000110.1Q214P205-Q214 HydrophobicContact CB-CB 3.97Å; P205-Q214 HydrophobicContact CB-CG 4.41Å
206L72.6Confident75.4Confident17 Ų1773 Ų739%0.08939%0.385CS..EExtended strand (participates in β ladder)trans-98136176.9-64.7171.6000109.4L123 T126 E127 I202 V215 K217L123-L206 HydrophobicContact CD1-CB 3.62Å; L123-L206 HydrophobicContact CD1-CD1 3.89Å; L123-L206 HydrophobicContact CD1-CD2 4.07Å; L123-L206 HydrophobicContact CD1-CG 4.06Å; T126-L206 HydrophobicContact CG2-CD2 3.78Å; E127-L206 HydrophobicContact CG-CD1 3.84Å; I202-L206 HydrophobicContact CD1-CD1 4.31Å; L206-V215 PolarHBondContact N-O 3.41Å; L206-V215 VanDerWaalsContact N-O 3.16Å; L206-V215 PolarHBondContact O-N 2.9Å; L206-K217 HydrophobicContact CD1-CD 4.28Å
207E71.3Confident75.5Confident100 Ų10069.4 Ų69.447%0.46737%0.369SS..EExtended strand (participates in β ladder)trans-79.5120.9176.2-169.2-173.9166.500109.3K119K119-E207 IonicContact NZ-OE1 3.9Å; K119-E207 IonicContact NZ-OE2 2.68Å
208D68.3Low75.6Confident43 Ų4367.9 Ų67.923%0.2336%0.361CS..PPolyproline II helixtrans-74.4130.3173.2-91.8-15.2000110T210 S211 G212 D213 K217D208-T210 PolarHBondContact O-N 3.05Å; D208-T210 VanDerWaalsContact O-N 3.12Å; D208-S211 PolarHBondContact O-N 3.38Å; D208-G212 WeakPolarHBondContact O-CA 3.41Å; D208-G212 PolarHBondContact O-N 2.88Å; D208-D213 PolarHBondContact N-O 3.45Å; D208-K217 WeakPolarHBondContact OD1-CE 3.18Å; D208-K217 IonicContact OD1-NZ 2.78Å; D208-K217 PolarHBondContact OD1-NZ 3.43Å
209P63.6Low75.8Confident38 Ų3862.3 Ų62.325%0.24734%0.34CS..THydrogen-bonded Turntrans-67.3-20.9-167.225.1-34.8000113.8K120 L123K120-P209 HydrophobicContact CB-CB 4.38Å; K120-P209 HydrophobicContact CB-CG 4.28Å; K120-P209 HydrophobicContact CG-CG 4.36Å; L123-P209 HydrophobicContact CD2-CG 4.37Å
210T65.3Low75.9Confident117 Ų11758.1 Ų58.172%0.71832%0.321SS*.THydrogen-bonded Turntrans-98.7-27.9-17552.20000114.3D208D208-T210 PolarHBondContact O-N 3.05Å; D208-T210 VanDerWaalsContact O-N 3.12Å
211S64.4Low76Confident67 Ų6757.4 Ų57.447%0.46932%0.315SS..THydrogen-bonded Turntrans-110.4-17.8178.380.70000113.7D208 D213D208-S211 PolarHBondContact O-N 3.38Å; S211-D213 WeakPolarHBondContact CB-OD2 3.39Å; S211-D213 PolarHBondContact O-N 3.19Å; S211-D213 VanDerWaalsContact OG-CB 3.3Å; S211-D213 WeakPolarHBondContact OG-CB 3.31Å; S211-D213 PolarHBondContact OG-N 3.28Å; S211-D213 PolarHBondContact OG-OD2 3.45Å
212G65.2Low76.1Confident39 Ų3954.4 Ų54.440%0.40230%0.299SS..  trans70.19.8-173.500000113.2D208D208-G212 WeakPolarHBondContact O-CA 3.41Å; D208-G212 PolarHBondContact O-N 2.88Å
213D72.4Confident76.3Confident99 Ų9955 Ų5553%0.52930%0.301SS..  trans-78.3139.2177.6-64.6-44.1000110.4D208 S211 V215D208-D213 PolarHBondContact N-O 3.45Å; S211-D213 WeakPolarHBondContact CB-OD2 3.39Å; S211-D213 PolarHBondContact O-N 3.19Å; S211-D213 VanDerWaalsContact OG-CB 3.3Å; S211-D213 WeakPolarHBondContact OG-CB 3.31Å; S211-D213 PolarHBondContact OG-N 3.28Å; S211-D213 PolarHBondContact OG-OD2 3.45Å; D213-V215 HydrophobicContact CB-CG2 4.38Å; D213-V215 PolarHBondContact O-N 3.37Å
214Q76.6Confident76.8Confident147 Ų14747.9 Ų47.969%0.68727%0.268SS*.EExtended strand (participates in β ladder)trans-78106.7171-76.5-170.1-1.100109.3P205P205-Q214 HydrophobicContact CB-CB 3.97Å; P205-Q214 HydrophobicContact CB-CG 4.41Å
215V78.2Confident77.1Confident42 Ų4249.2 Ų49.226%0.25527%0.27SS..EExtended strand (participates in β ladder)trans-106.4124.5-179.1-175.10000109.7L206 D213 K217L206-V215 PolarHBondContact N-O 3.41Å; L206-V215 VanDerWaalsContact N-O 3.16Å; L206-V215 PolarHBondContact O-N 2.9Å; D213-V215 HydrophobicContact CB-CG2 4.38Å; D213-V215 PolarHBondContact O-N 3.37Å; V215-K217 HydrophobicContact CG1-CG 4.17Å; V215-K217 PolarHBondContact O-N 3.02Å
216H81.6Confident77.5Confident88 Ų8849 Ų4941%0.40728%0.277SS..  trans-75.2117.2168-68.5-72.6000109.6R177R177-H216 HydrophobicContact CB-CB 4.27Å; R177-H216 WeakPolarHBondContact CB-O 3.28Å; R177-H216 PolarHBondContact N-O 2.64Å
217K85.6Confident77.9Confident25 Ų2554 Ų5411%0.10930%0.304CS..EExtended strand (participates in β ladder)trans-110.3152.5175.6-58.3-173.5-171.7178.70109.8E127 V174 I175 I202 L206 D208 V215E127-K217 WeakPolarHBondContact OE1-CD 3.46Å; E127-K217 IonicContact OE1-NZ 2.65Å; E127-K217 PolarHBondContact OE1-NZ 2.96Å; V174-K217 HydrophobicContact CG1-CB 3.51Å; V174-K217 HydrophobicContact CG1-CD 3.77Å; V174-K217 HydrophobicContact CG1-CG 4.18Å; I175-K217 CarbonylContact O-C 3.54Å; I175-K217 WeakPolarHBondContact O-CA 3.46Å; I202-K217 VanDerWaalsContact CB-O 3.26Å; I202-K217 WeakPolarHBondContact CB-O 3.36Å; I202-K217 HydrophobicContact CD1-CB 4.36Å; I202-K217 WeakPolarHBondContact CG1-O 3.08Å; I202-K217 PolarHBondContact N-O 3.36Å; L206-K217 HydrophobicContact CD1-CD 4.28Å; D208-K217 WeakPolarHBondContact OD1-CE 3.18Å; D208-K217 IonicContact OD1-NZ 2.78Å; D208-K217 PolarHBondContact OD1-NZ 3.43Å; V215-K217 HydrophobicContact CG1-CG 4.17Å; V215-K217 PolarHBondContact O-N 3.02Å
218S85.5Confident78.4Confident1 Ų156.6 Ų56.61%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-122.8145.4171.6-47.30000109.8V174 I175 I180 A200 D201V174-S218 WeakPolarHBondContact CA-O 3.44Å; I175-S218 PolarHBondContact N-O 3.37Å; I175-S218 PolarHBondContact O-N 2.88Å; I180-S218 VanDerWaalsContact CD1-OG 3.23Å; I180-S218 WeakPolarHBondContact CD1-OG 3.35Å; A200-S218 CarbonylContact O-C 3.27Å; A200-S218 WeakPolarHBondContact O-CA 3.47Å; A200-S218 WeakPolarHBondContact O-CB 3.35Å; D201-S218 WeakPolarHBondContact OD1-CB 3.34Å; D201-S218 PolarHBondContact OD1-OG 3.49Å
219V87.1Confident79Confident1 Ų156.1 Ų56.11%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-81.5138.3172.31780000108.4H130 I131 V174 Q199 A200 I202H130-V219 HydrophobicContact CB-CG2 4.48Å; I131-V219 HydrophobicContact CB-CG1 4.37Å; I131-V219 HydrophobicContact CG1-CG1 3.96Å; I131-V219 HydrophobicContact CG1-CG2 4Å; I131-V219 HydrophobicContact CG2-CG1 4.42Å; V174-V219 HydrophobicContact CG2-CG2 4.21Å; Q199-V219 CarbonylContact C-O 3.6Å; Q199-V219 VanDerWaalsContact CA-O 3.32Å; Q199-V219 WeakPolarHBondContact CA-O 3.43Å; A200-V219 PolarHBondContact N-O 2.9Å; A200-V219 PolarHBondContact O-N 3Å; I202-V219 HydrophobicContact CD1-CG2 3.99Å; I202-V219 HydrophobicContact CG1-CG2 3.99Å
220F88.4Confident80Confident5 Ų557.9 Ų57.92%0.02232%0.317CS..EExtended strand (participates in β ladder)trans-129.8147.7170.868.6-89.2000111.3A172 G173 I175 F183 L197 R198 I222 A242 L244A172-F220 WeakPolarHBondContact CA-O 3.33Å; G173-F220 PolarHBondContact N-O 3.46Å; G173-F220 VanDerWaalsContact O-CD1 3.26Å; G173-F220 WeakPolarHBondContact O-CD1 3.34Å; G173-F220 PolarHBondContact O-N 2.92Å; I175-F220 HydrophobicContact CB-CD1 4.06Å; I175-F220 HydrophobicContact CB-CE1 3.92Å; I175-F220 HydrophobicContact CG2-CD1 3.69Å; I175-F220 HydrophobicContact CG2-CE1 4.08Å; F183-F220 HydrophobicContact CE1-CD2 4.01Å; F183-F220 HydrophobicContact CE1-CE2 4.09Å; F183-F220 HydrophobicContact CE1-CG 4.29Å; F183-F220 HydrophobicContact CE1-CZ 4.43Å; F183-F220 HydrophobicContact CZ-CD2 4.32Å; F183-F220 AromaticContact CZ-CE2 3.94Å; F183-F220 HydrophobicContact CZ-CE2 3.94Å; F183-F220 HydrophobicContact CZ-CZ 4.13Å; L197-F220 HydrophobicContact CD1-CB 3.92Å; L197-F220 HydrophobicContact CD1-CD2 4.19Å; L197-F220 HydrophobicContact CD1-CG 4.44Å; R198-F220 CarbonylContact O-C 3.59Å; R198-F220 VanDerWaalsContact O-CA 3.26Å; R198-F220 WeakPolarHBondContact O-CA 3.13Å; F220-I222 HydrophobicContact CD2-CD1 3.77Å; F220-I222 HydrophobicContact CD2-CG1 3.67Å; F220-I222 HydrophobicContact CE2-CD1 3.63Å; F220-I222 HydrophobicContact CE2-CG1 3.96Å; F220-A242 HydrophobicContact CE1-CB 3.84Å; F220-A242 HydrophobicContact CZ-CB 3.83Å; F220-L244 HydrophobicContact CZ-CD2 4.41Å
221I85.7Confident81Confident0 Ų057 Ų570%031%0.308CS..EExtended strand (participates in β ladder)trans-127.4128175.4-55.2175.2000107.6T135 F138 F170 V171 A172 R198 F223T135-I221 HydrophobicContact CG2-CD1 3.92Å; T135-I221 WeakPolarHBondContact OG1-CD1 3.32Å; F138-I221 HydrophobicContact CD2-CD1 3.63Å; F138-I221 HydrophobicContact CE2-CD1 4.25Å; F138-I221 HydrophobicContact CG-CD1 4.44Å; F170-I221 HydrophobicContact CB-CG2 4.39Å; F170-I221 HydrophobicContact CD2-CG2 4.26Å; V171-I221 WeakPolarHBondContact O-CA 3.3Å; A172-I221 HydrophobicContact CB-CG1 4.23Å; R198-I221 PolarHBondContact N-O 3.35Å; R198-I221 PolarHBondContact O-N 3.09Å; I221-F223 HydrophobicContact CB-CE2 4.38Å; I221-F223 HydrophobicContact CG2-CD2 4.24Å; I221-F223 HydrophobicContact CG2-CE1 4.34Å; I221-F223 HydrophobicContact CG2-CE2 3.65Å; I221-F223 HydrophobicContact CG2-CZ 3.71Å
222I86Confident82Confident0 Ų060.3 Ų60.30%031%0.31CS..EExtended strand (participates in β ladder)trans-115.3118.6-178.1-53.4-176.2000108.5F170 V171 F183 L187 V195 F196 L197 F220 F224 V233F170-I222 CarbonylContact C-O 3.55Å; F170-I222 WeakPolarHBondContact CA-O 3.3Å; V171-I222 PolarHBondContact N-O 3.25Å; V171-I222 PolarHBondContact O-N 2.81Å; F183-I222 HydrophobicContact CE1-CD1 4.07Å; F183-I222 HydrophobicContact CZ-CD1 3.85Å; L187-I222 HydrophobicContact CD1-CD1 4.18Å; L187-I222 HydrophobicContact CD2-CD1 3.97Å; L187-I222 HydrophobicContact CD2-CG1 4.42Å; L187-I222 HydrophobicContact CD2-CG2 4.22Å; V195-I222 HydrophobicContact CG1-CG2 3.1Å; F196-I222 WeakPolarHBondContact O-CA 3.29Å; L197-I222 HydrophobicContact CD1-CD1 4.29Å; L197-I222 HydrophobicContact CD1-CG1 3.75Å; F220-I222 HydrophobicContact CD2-CD1 3.77Å; F220-I222 HydrophobicContact CD2-CG1 3.67Å; F220-I222 HydrophobicContact CE2-CD1 3.63Å; F220-I222 HydrophobicContact CE2-CG1 3.96Å; I222-F224 HydrophobicContact CG2-CD1 4.14Å; I222-V233 HydrophobicContact CB-CG1 4.41Å; I222-V233 HydrophobicContact CD1-CG1 3.58Å; I222-V233 HydrophobicContact CG2-CG1 4.1Å; I222-V233 HydrophobicContact CG2-CG2 4.43Å
223F84.4Confident83Confident20 Ų2058.5 Ų58.59%0.08829%0.291CS..EExtended strand (participates in β ladder)trans-98.1132.2172.2-58.8-89.5000109.9F139 F170 F196 R198 I221F139-F223 HydrophobicContact CE1-CE1 4.26Å; F139-F223 AromaticContact CZ-CE1 3.86Å; F139-F223 HydrophobicContact CZ-CE1 3.86Å; F139-F223 HydrophobicContact CZ-CZ 4.22Å; F170-F223 HydrophobicContact CB-CD1 3.7Å; F170-F223 HydrophobicContact CB-CE1 3.9Å; F170-F223 HydrophobicContact CB-CG 4.42Å; F170-F223 HydrophobicContact CG-CE1 4.41Å; F196-F223 HydrophobicContact CB-CB 4.3Å; F196-F223 AromaticContact CD1-CD2 3.91Å; F196-F223 HydrophobicContact CD1-CD2 3.91Å; F196-F223 HydrophobicContact CD1-CE2 4.5Å; F196-F223 PolarHBondContact N-O 3.27Å; F196-F223 PolarHBondContact O-N 3Å; R198-F223 HydrophobicContact CG-CE2 4.44Å; I221-F223 HydrophobicContact CB-CE2 4.38Å; I221-F223 HydrophobicContact CG2-CD2 4.24Å; I221-F223 HydrophobicContact CG2-CE1 4.34Å; I221-F223 HydrophobicContact CG2-CE2 3.65Å; I221-F223 HydrophobicContact CG2-CZ 3.71Å
224F83.6Confident83.7Confident6 Ų657.7 Ų57.73%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-147.1157.9178.754.4-95.5000111.1G169 V171 V195 I222 L229 K230 V233G169-F224 PolarHBondContact N-O 3.06Å; G169-F224 PolarHBondContact O-N 2.98Å; V171-F224 HydrophobicContact CB-CE1 3.97Å; V171-F224 HydrophobicContact CG2-CE1 3.54Å; V171-F224 HydrophobicContact CG2-CZ 3.72Å; V195-F224 HydrophobicContact CG2-CB 4.09Å; I222-F224 HydrophobicContact CG2-CD1 4.14Å; F224-L229 HydrophobicContact CB-CB 4.3Å; F224-K230 HydrophobicContact CD2-CB 4.15Å; F224-K230 HydrophobicContact CE2-CB 3.41Å; F224-K230 VanDerWaalsContact CE2-CB 3.41Å; F224-K230 HydrophobicContact CE2-CD 4.06Å; F224-K230 HydrophobicContact CE2-CG 3.73Å; F224-K230 HydrophobicContact CZ-CB 3.75Å; F224-K230 HydrophobicContact CZ-CD 4.08Å; F224-K230 HydrophobicContact CZ-CG 3.59Å; F224-V233 HydrophobicContact CD1-CG2 4.46Å
225Q81Confident84.2Confident130 Ų13057.9 Ų57.961%0.60728%0.281SS*.SBendtrans-111.8118.8176.7-168.6175.62.400110.1L168 L229L168-Q225 HydrophobicContact CD2-CB 4.41Å; Q225-L229 WeakPolarHBondContact O-CD1 3.44Å
226G81.1Confident84.7Confident44 Ų4456.8 Ų56.845%0.45427%0.274SS..SBendtrans96.8150175.300000116.1Q228 L229 K230G226-Q228 PolarHBondContact O-N 2.94Å; G226-L229 PolarHBondContact O-N 2.9Å; G226-K230 PolarHBondContact O-N 2.88Å
227D79.9Confident85Confident121 Ų12152.6 Ų52.665%0.64726%0.255SS*.Hα-helixtrans-73.3-26.5-171-68.4-44.7000114.6L229 K230 N231D227-L229 VanDerWaalsContact C-N 3.32Å; D227-L229 PolarHBondContact O-N 2.8Å; D227-K230 WeakPolarHBondContact O-CB 3.3Å; D227-K230 PolarHBondContact O-N 3.07Å; D227-N231 PolarHBondContact O-N 3.38Å
228Q82.2Confident85Confident156 Ų15657.6 Ų57.673%0.72928%0.278SS*.Hα-helixtrans-67-36.2176.6-67.4-168.41.200111.9G226 R232G226-Q228 PolarHBondContact O-N 2.94Å; Q228-R232 WeakPolarHBondContact O-CG 3.35Å; Q228-R232 PolarHBondContact O-N 3.04Å
229L82.3Confident85.1Confident33 Ų3360.6 Ų60.617%0.17331%0.31CS..Hα-helixtrans-70.4-39.6174.9-81.3161.9000110.9C191 V195 F224 Q225 G226 D227 N231 R232 V233C191-L229 HydrophobicContact CB-CD2 4.23Å; V195-L229 HydrophobicContact CG2-CD2 4.29Å; F224-L229 HydrophobicContact CB-CB 4.3Å; Q225-L229 WeakPolarHBondContact O-CD1 3.44Å; G226-L229 PolarHBondContact O-N 2.9Å; D227-L229 VanDerWaalsContact C-N 3.32Å; D227-L229 PolarHBondContact O-N 2.8Å; L229-N231 VanDerWaalsContact C-N 3.32Å; L229-N231 PolarHBondContact O-N 2.89Å; L229-R232 PolarHBondContact O-N 2.85Å; L229-R232 VanDerWaalsContact O-N 3.1Å; L229-V233 WeakPolarHBondContact O-CG2 3.35Å; L229-V233 PolarHBondContact O-N 3.47Å
230K83.6Confident85Confident74 Ų7462.7 Ų62.732%0.32232%0.319SS..Hα-helixtrans-51.1-49.2173.3-170.2171.4-177.4173.90112.5F224 G226 D227 R232 V233 K234F224-K230 HydrophobicContact CD2-CB 4.15Å; F224-K230 HydrophobicContact CE2-CB 3.41Å; F224-K230 VanDerWaalsContact CE2-CB 3.41Å; F224-K230 HydrophobicContact CE2-CD 4.06Å; F224-K230 HydrophobicContact CE2-CG 3.73Å; F224-K230 HydrophobicContact CZ-CB 3.75Å; F224-K230 HydrophobicContact CZ-CD 4.08Å; F224-K230 HydrophobicContact CZ-CG 3.59Å; G226-K230 PolarHBondContact O-N 2.88Å; D227-K230 WeakPolarHBondContact O-CB 3.3Å; D227-K230 PolarHBondContact O-N 3.07Å; K230-R232 VanDerWaalsContact C-N 3.35Å; K230-R232 PolarHBondContact O-N 2.81Å; K230-V233 PolarHBondContact O-N 3.4Å; K230-K234 WeakPolarHBondContact O-CG 3.48Å; K230-K234 PolarHBondContact O-N 3.47Å
231N85.9Confident84.8Confident99 Ų9972.4 Ų72.453%0.52936%0.356SS..Hα-helixtrans-68.5-32.9-179-70.7-19.9000112.7D227 L229 K235D227-N231 PolarHBondContact O-N 3.38Å; L229-N231 VanDerWaalsContact C-N 3.32Å; L229-N231 PolarHBondContact O-N 2.89Å; N231-K235 WeakPolarHBondContact O-CG 3.3Å; N231-K235 PolarHBondContact O-N 3.47Å
232R85.5Confident84.8Confident137 Ų13773 Ų7352%0.51736%0.361SS..Hα-helixtrans-70-44.5174.3-71.4-179.5179.8-172.22.3111.7Q228 L229 K230 K235 I236Q228-R232 WeakPolarHBondContact O-CG 3.35Å; Q228-R232 PolarHBondContact O-N 3.04Å; L229-R232 PolarHBondContact O-N 2.85Å; L229-R232 VanDerWaalsContact O-N 3.1Å; K230-R232 VanDerWaalsContact C-N 3.35Å; K230-R232 PolarHBondContact O-N 2.81Å; R232-K235 PolarHBondContact O-N 3.26Å; R232-I236 WeakPolarHBondContact O-CG1 3.27Å; R232-I236 PolarHBondContact O-N 2.68Å; R232-I236 VanDerWaalsContact O-N 3.13Å
233V86.3Confident84.7Confident0 Ų075.9 Ų75.90%038%0.378CS..Hα-helixtrans-61.4-46.4177.5172.80000110.6L187 V195 I222 F224 L229 K230 K235 I236 C237L187-V233 HydrophobicContact CD1-CG1 4.39Å; L187-V233 HydrophobicContact CD1-CG2 4.16Å; V195-V233 HydrophobicContact CG2-CG2 4.48Å; I222-V233 HydrophobicContact CB-CG1 4.41Å; I222-V233 HydrophobicContact CD1-CG1 3.58Å; I222-V233 HydrophobicContact CG2-CG1 4.1Å; I222-V233 HydrophobicContact CG2-CG2 4.43Å; F224-V233 HydrophobicContact CD1-CG2 4.46Å; L229-V233 WeakPolarHBondContact O-CG2 3.35Å; L229-V233 PolarHBondContact O-N 3.47Å; K230-V233 PolarHBondContact O-N 3.4Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.02Å; V233-I236 PolarHBondContact O-N 3.46Å; V233-C237 PolarHBondContact O-N 2.84Å; V233-C237 PolarHBondContact O-SG 2.86Å
234K87.3Confident84.8Confident82 Ų8277.7 Ų77.736%0.35739%0.388SS..Hα-helixtrans-55.6-44.7176-76.7-173.1174.7-166.90112.9K230 I236 C237 E238 L244K230-K234 WeakPolarHBondContact O-CG 3.48Å; K230-K234 PolarHBondContact O-N 3.47Å; K234-I236 VanDerWaalsContact C-N 3.31Å; K234-I236 PolarHBondContact O-N 3.37Å; K234-C237 WeakPolarHBondContact O-CB 3.32Å; K234-C237 PolarHBondContact O-N 3.29Å; K234-E238 WeakPolarHBondContact O-CG 3.33Å; K234-E238 PolarHBondContact O-N 3.35Å; K234-L244 HydrophobicContact CG-CD1 4.34Å
235K87.3Confident84.8Confident151 Ų15179.2 Ų79.266%0.65739%0.394SS*.Hα-helixtrans-62.7-35.7176.5-72.9179.7179.8-171.70113N231 R232 V233 G239N231-K235 WeakPolarHBondContact O-CG 3.3Å; N231-K235 PolarHBondContact O-N 3.47Å; R232-K235 PolarHBondContact O-N 3.26Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.02Å; K235-G239 PolarHBondContact O-N 3.34Å
236I88.4Confident84.8Confident19 Ų1978 Ų7810%0.09740%0.397CS..Hα-helixtrans-68.7-45.3175.4-63.7168.7000109.7F183 M186 L187 V190 R232 V233 K234 E238 G239 F240F183-I236 HydrophobicContact CD2-CG2 4.17Å; F183-I236 HydrophobicContact CE2-CG2 3.85Å; M186-I236 HydrophobicContact CG-CG2 4.45Å; L187-I236 HydrophobicContact CD1-CD1 4.17Å; V190-I236 HydrophobicContact CB-CD1 4.01Å; V190-I236 HydrophobicContact CG1-CD1 4.1Å; V190-I236 HydrophobicContact CG2-CD1 4.24Å; R232-I236 WeakPolarHBondContact O-CG1 3.27Å; R232-I236 PolarHBondContact O-N 2.68Å; R232-I236 VanDerWaalsContact O-N 3.13Å; V233-I236 PolarHBondContact O-N 3.46Å; K234-I236 VanDerWaalsContact C-N 3.31Å; K234-I236 PolarHBondContact O-N 3.37Å; I236-E238 VanDerWaalsContact C-N 3.34Å; I236-E238 PolarHBondContact O-N 3.42Å; I236-G239 PolarHBondContact O-N 3.24Å; I236-G239 VanDerWaalsContact O-N 3.15Å; I236-F240 HydrophobicContact CG2-CD2 3.83Å; I236-F240 HydrophobicContact CG2-CE2 3.92Å; I236-F240 WeakPolarHBondContact O-CD2 3.49Å; I236-F240 PolarHBondContact O-N 3.08Å
237C87.2Confident84.6Confident0 Ų077 Ų770%038%0.383CS..Hα-helixtrans-57.4-45.3175.7-64.70000111.9V233 K234 G239 F240 R241 A242 L244V233-C237 PolarHBondContact O-N 2.84Å; V233-C237 PolarHBondContact O-SG 2.86Å; K234-C237 WeakPolarHBondContact O-CB 3.32Å; K234-C237 PolarHBondContact O-N 3.29Å; C237-G239 PolarHBondContact O-N 3.1Å; C237-F240 PolarHBondContact O-N 2.81Å; C237-R241 PolarHBondContact O-N 3.26Å; C237-A242 HydrophobicContact CB-CB 4.17Å; C237-A242 PolarHBondContact O-N 3.37Å; C237-L244 HydrophobicContact CB-CD1 3.94Å; C237-L244 HydrophobicContact CB-CD2 3.99Å; C237-L244 HydrophobicContact CB-CG 4.14Å
238E86.6Confident84.6Confident130 Ų13072.5 Ų72.561%0.60736%0.361SS*.Hα-helixtrans-61.6-43174.5-72.8169.9-17200112K234 I236 F240 R241K234-E238 WeakPolarHBondContact O-CG 3.33Å; K234-E238 PolarHBondContact O-N 3.35Å; I236-E238 VanDerWaalsContact C-N 3.34Å; I236-E238 PolarHBondContact O-N 3.42Å; E238-F240 VanDerWaalsContact C-N 3.31Å; E238-F240 PolarHBondContact O-N 2.95Å; E238-R241 PolarHBondContact O-N 2.93Å; E238-R241 VanDerWaalsContact O-N 3.08Å
239G87.3Confident84Confident65 Ų6571.3 Ų71.367%0.6736%0.355SS*.Hα-helixtrans-62.5-33.2178.600000114.3K235 I236 C237K235-G239 PolarHBondContact O-N 3.34Å; I236-G239 PolarHBondContact O-N 3.24Å; I236-G239 VanDerWaalsContact O-N 3.15Å; C237-G239 PolarHBondContact O-N 3.1Å
240F86.1Confident83.9Confident44 Ų4472.5 Ų72.519%0.19336%0.364CS..THydrogen-bonded Turntrans-89-0.2175.7-78.5-85.5000114I175 R179 T182 F183 M186 I236 C237 E238I175-F240 HydrophobicContact CD1-CB 4.09Å; R179-F240 PolarHBondContact NH1-O 3.49Å; T182-F240 HydrophobicContact CG2-CE1 3.98Å; T182-F240 HydrophobicContact CG2-CZ 4.23Å; F183-F240 HydrophobicContact CB-CD1 4.49Å; F183-F240 HydrophobicContact CD2-CB 4.04Å; F183-F240 AromaticContact CD2-CD2 3.62Å; F183-F240 HydrophobicContact CD2-CD2 3.62Å; F183-F240 HydrophobicContact CD2-CE2 4.18Å; F183-F240 AromaticContact CD2-CG 3.82Å; F183-F240 HydrophobicContact CD2-CG 3.82Å; F183-F240 HydrophobicContact CE2-CD2 4.29Å; M186-F240 HydrophobicContact CB-CE2 3.87Å; M186-F240 HydrophobicContact CB-CZ 3.94Å; M186-F240 HydrophobicContact CG-CE2 3.91Å; M186-F240 HydrophobicContact CG-CZ 4.27Å; I236-F240 HydrophobicContact CG2-CD2 3.83Å; I236-F240 HydrophobicContact CG2-CE2 3.92Å; I236-F240 WeakPolarHBondContact O-CD2 3.49Å; I236-F240 PolarHBondContact O-N 3.08Å; C237-F240 PolarHBondContact O-N 2.81Å; E238-F240 VanDerWaalsContact C-N 3.31Å; E238-F240 PolarHBondContact O-N 2.95Å
241R84.3Confident83.6Confident210 Ų21072.1 Ų72.179%0.79237%0.369SS*.THydrogen-bonded Turntrans60.140.5-173.5-53.1-176.1-178.4-174.7-2113.5C237 E238C237-R241 PolarHBondContact O-N 3.26Å; E238-R241 PolarHBondContact O-N 2.93Å; E238-R241 VanDerWaalsContact O-N 3.08Å
242A84.3Confident83.3Confident13 Ų1375.1 Ų75.111%0.10738%0.38CS..  trans-80137.1171.500000110.7V174 I175 F220 C237V174-A242 WeakPolarHBondContact O-CA 3.29Å; I175-A242 HydrophobicContact CB-CB 4.36Å; I175-A242 HydrophobicContact CG1-CB 4.5Å; F220-A242 HydrophobicContact CE1-CB 3.84Å; F220-A242 HydrophobicContact CZ-CB 3.83Å; C237-A242 HydrophobicContact CB-CB 4.17Å; C237-A242 PolarHBondContact O-N 3.37Å
243T84.5Confident83.2Confident60 Ų6073.5 Ų73.537%0.36838%0.378SS..EExtended strand (participates in β ladder)trans-85124.517446.90000109.3E127 G173 V174E127-T243 PolarHBondContact OE2-OG1 2.73Å; E127-T243 VanDerWaalsContact OE2-OG1 3.07Å; G173-T243 CarbonylContact C-O 3.55Å; G173-T243 WeakPolarHBondContact CA-O 3.4Å; V174-T243 PolarHBondContact N-O 3.48Å; V174-T243 PolarHBondContact O-N 3.47Å; V174-T243 VanDerWaalsContact O-N 3.13Å
244L86Confident82.9Confident58 Ų5873.7 Ų73.730%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-104.1130.3-177-67.9170.6000109.6V171 F220 K234 C237V171-L244 HydrophobicContact CG1-CD2 3.38Å; F220-L244 HydrophobicContact CZ-CD2 4.41Å; K234-L244 HydrophobicContact CG-CD1 4.34Å; C237-L244 HydrophobicContact CB-CD1 3.94Å; C237-L244 HydrophobicContact CB-CD2 3.99Å; C237-L244 HydrophobicContact CB-CG 4.14Å
245Y84.6Confident82.7Confident38 Ų3876.4 Ų76.415%0.14939%0.391CS..EExtended strand (participates in β ladder)trans-118.8140.6-179.5-67.6-84.9000111.7E124 E127 L128 I131 A172 C247E124-Y245 WeakPolarHBondContact CA-OH 3.47Å; E124-Y245 HydrophobicContact CB-CE1 4.49Å; E124-Y245 PolarHBondContact O-OH 3.32Å; E127-Y245 HydrophobicContact CB-CE2 3.92Å; E127-Y245 WeakPolarHBondContact OE2-CE2 3.44Å; E127-Y245 PolarHBondContact OE2-OH 3.46Å; L128-Y245 HydrophobicContact CB-CD1 4.24Å; L128-Y245 HydrophobicContact CB-CE1 4.41Å; L128-Y245 HydrophobicContact CD1-CD1 3.97Å; L128-Y245 HydrophobicContact CD1-CG 4.02Å; I131-Y245 HydrophobicContact CD1-CD2 3.13Å; I131-Y245 HydrophobicContact CD1-CE2 3.78Å; I131-Y245 HydrophobicContact CD1-CG 3.78Å; A172-Y245 PolarHBondContact O-N 2.85Å; Y245-C247 PolarHBondContact O-N 3.19Å
246P80.9Confident82.6Confident103 Ų10376.2 Ų76.267%0.66939%0.392SS*.  trans-72.6116.7174.729.6-32000109.7
247C76.3Confident82.5Confident23 Ų2378.4 Ų78.416%0.15540%0.403CS..  trans-108.9126.4176.7-173.50000109.7F170 Y245F170-C247 HydrophobicContact CE2-CB 3.85Å; F170-C247 HydrophobicContact CZ-CB 4.34Å; Y245-C247 PolarHBondContact O-N 3.19Å
248P79.4Confident82.4Confident28 Ų2880.4 Ų80.418%0.18241%0.413CS..  trans-60.6142.9174.2-2433.9000112.8E253 R254 M257P248-E253 HydrophobicContact CB-CB 3.94Å; P248-E253 HydrophobicContact CG-CB 4.49Å; P248-R254 PolarHBondContact O-NH2 3.38Å; P248-R254 VanDerWaalsContact O-NH2 3.15Å; P248-M257 VanDerWaalsContact CD-SD 3.58Å; P248-M257 HydrophobicContact CG-SD 3.71Å
249E70.8Confident82.5Confident131 Ų13177 Ų7761%0.61241%0.407SS*.SBendtrans-75.8-30.4179.8-59.4-172.3171.600111.7F170F170-E249 HydrophobicContact CE1-CB 4.47Å; F170-E249 HydrophobicContact CE1-CG 3.99Å
250T78.6Confident82.7Confident57 Ų5775.5 Ų75.535%0.3539%0.392SS..SBendtrans-85.7141.1-177.674.70000112.5Q252 E253 R254T250-Q252 VanDerWaalsContact C-N 3.29Å; T250-Q252 PolarHBondContact O-N 2.88Å; T250-E253 WeakPolarHBondContact OG1-CB 3.48Å; T250-E253 WeakPolarHBondContact OG1-CG 3.29Å; T250-E253 PolarHBondContact OG1-N 2.81Å; T250-E253 PolarHBondContact OG1-OE2 3.31Å; T250-R254 PolarHBondContact O-N 3.04Å
251P77.7Confident82.9Confident67 Ų6773.9 Ų73.944%0.43539%0.385SS..Hα-helixtrans-69.2-26.6179.725.8-33.1000113K255P251-K255 PolarHBondContact O-N 3.46Å
252Q80.4Confident83.1Confident161 Ų16166 Ų6675%0.75236%0.359SS*.Hα-helixtrans-73.5-48.2177.8-69.4-177.4-10.100111.6T250 R254 K255 E256T250-Q252 VanDerWaalsContact C-N 3.29Å; T250-Q252 PolarHBondContact O-N 2.88Å; Q252-R254 PolarHBondContact O-N 2.99Å; Q252-K255 PolarHBondContact O-N 3.42Å; Q252-E256 PolarHBondContact O-N 3.38Å; Q252-E256 VanDerWaalsContact O-N 3.11Å
253E83.2Confident83.5Confident103 Ų10367.8 Ų67.848%0.48137%0.374SS..Hα-helixtrans-64.3-31.4176.7-66.5165.6163.200111.6P248 T250 E256 M257P248-E253 HydrophobicContact CB-CB 3.94Å; P248-E253 HydrophobicContact CG-CB 4.49Å; T250-E253 WeakPolarHBondContact OG1-CB 3.48Å; T250-E253 WeakPolarHBondContact OG1-CG 3.29Å; T250-E253 PolarHBondContact OG1-N 2.81Å; T250-E253 PolarHBondContact OG1-OE2 3.31Å; E253-E256 PolarHBondContact O-N 2.84Å; E253-M257 VanDerWaalsContact O-CB 3.3Å; E253-M257 WeakPolarHBondContact O-CB 3.42Å; E253-M257 PolarHBondContact O-N 2.99Å
254R79.5Confident83.8Confident5 Ų572.7 Ų72.72%0.01939%0.386CS..Hα-helixtrans-64.7-40.9174.8-163.4-179.3-60.5140.81.1112.4L132 P248 T250 Q252 L258L132-R254 HydrophobicContact CB-CG 4.5Å; L132-R254 HydrophobicContact CD2-CG 3.72Å; P248-R254 PolarHBondContact O-NH2 3.38Å; P248-R254 VanDerWaalsContact O-NH2 3.15Å; T250-R254 PolarHBondContact O-N 3.04Å; Q252-R254 PolarHBondContact O-N 2.99Å; R254-L258 VanDerWaalsContact O-CB 3.25Å; R254-L258 WeakPolarHBondContact O-CB 3.48Å; R254-L258 PolarHBondContact O-N 3.33Å
255K82.6Confident84Confident139 Ų13970.2 Ų70.260%0.60437%0.373SS*.Hα-helixtrans-66.1-40.8175.7-76.9-177.5178.4-179.70111.6P251 Q252 L258 A259P251-K255 PolarHBondContact O-N 3.46Å; Q252-K255 PolarHBondContact O-N 3.42Å; K255-L258 PolarHBondContact O-N 2.96Å; K255-A259 WeakPolarHBondContact O-CB 3.31Å; K255-A259 PolarHBondContact O-N 3.49Å
256E87Confident84.3Confident147 Ų14773.1 Ų73.169%0.68739%0.391SS*.Hα-helixtrans-64.7-46175.6-172.7177.2-178.600111.7Q252 E253 L258 A259 G260Q252-E256 PolarHBondContact O-N 3.38Å; Q252-E256 VanDerWaalsContact O-N 3.11Å; E253-E256 PolarHBondContact O-N 2.84Å; E256-L258 VanDerWaalsContact C-N 3.34Å; E256-L258 PolarHBondContact O-N 3.35Å; E256-A259 PolarHBondContact O-N 2.92Å; E256-G260 PolarHBondContact O-N 3.28Å
257M86Confident84.8Confident65 Ų6573.3 Ų73.332%0.3239%0.386SS..Hα-helixtrans-62.5-40.4176.1-167-178.8-145.800111.7L132 P248 E253 G260 V261L132-M257 HydrophobicContact CD1-CB 4.4Å; L132-M257 HydrophobicContact CD1-CG 4.04Å; L132-M257 HydrophobicContact CD1-SD 4.16Å; L132-M257 HydrophobicContact CD2-SD 4.17Å; P248-M257 VanDerWaalsContact CD-SD 3.58Å; P248-M257 HydrophobicContact CG-SD 3.71Å; E253-M257 VanDerWaalsContact O-CB 3.3Å; E253-M257 WeakPolarHBondContact O-CB 3.42Å; E253-M257 PolarHBondContact O-N 2.99Å; M257-G260 PolarHBondContact O-N 3.17Å; M257-V261 HydrophobicContact CG-CG2 4.37Å; M257-V261 WeakPolarHBondContact O-CB 3.35Å; M257-V261 WeakPolarHBondContact O-CG2 3.47Å; M257-V261 PolarHBondContact O-N 3.12Å
258L85.3Confident85.4Confident41 Ų4173.9 Ų73.922%0.21539%0.387CS..Hα-helixtrans-63.6-43.5176.2-173154.9000111.4L132 H133 R254 K255 E256 V261 N262L132-L258 HydrophobicContact CB-CD1 4.21Å; L132-L258 HydrophobicContact CD1-CB 4.45Å; H133-L258 HydrophobicContact CB-CD1 4.39Å; R254-L258 VanDerWaalsContact O-CB 3.25Å; R254-L258 WeakPolarHBondContact O-CB 3.48Å; R254-L258 PolarHBondContact O-N 3.33Å; K255-L258 PolarHBondContact O-N 2.96Å; E256-L258 VanDerWaalsContact C-N 3.34Å; E256-L258 PolarHBondContact O-N 3.35Å; L258-V261 PolarHBondContact O-N 3.15Å; L258-N262 VanDerWaalsContact CD2-ND2 3.33Å; L258-N262 WeakPolarHBondContact CD2-ND2 3.39Å; L258-N262 WeakPolarHBondContact O-CB 3.29Å; L258-N262 PolarHBondContact O-N 3.47Å
259A87.8Confident85.9Confident59 Ų5976.7 Ų76.749%0.48840%0.398SS..Hα-helixtrans-62.5-42.6175.100000111.7K255 E256 N262 A263K255-A259 WeakPolarHBondContact O-CB 3.31Å; K255-A259 PolarHBondContact O-N 3.49Å; E256-A259 PolarHBondContact O-N 2.92Å; A259-N262 PolarHBondContact O-N 3.36Å; A259-A263 PolarHBondContact O-N 3.34Å; A259-A263 VanDerWaalsContact O-N 3.12Å
260G90.6Very high86.8Confident34 Ų3476.2 Ų76.235%0.35140%0.397SS..Hα-helixtrans-66.6-38.7176.400000113.8E256 M257 R264E256-G260 PolarHBondContact O-N 3.28Å; M257-G260 PolarHBondContact O-N 3.17Å; G260-R264 WeakPolarHBondContact O-CG 3.41Å; G260-R264 PolarHBondContact O-N 3.47Å; G260-R264 VanDerWaalsContact O-N 3.17Å
261V90.6Very high87.4Confident9 Ų976.5 Ų76.56%0.05540%0.399CS..Hα-helixtrans-67.8-42175.7169.40000110.8L125 L128 K129 L132 M257 L258 R264 I265L125-V261 HydrophobicContact CB-CG1 4.48Å; L125-V261 HydrophobicContact CD2-CG1 4.38Å; L128-V261 HydrophobicContact CD2-CG2 3.76Å; L128-V261 HydrophobicContact CG-CG2 4.43Å; K129-V261 HydrophobicContact CB-CG1 4.11Å; L132-V261 HydrophobicContact CD1-CG2 4.37Å; M257-V261 HydrophobicContact CG-CG2 4.37Å; M257-V261 WeakPolarHBondContact O-CB 3.35Å; M257-V261 WeakPolarHBondContact O-CG2 3.47Å; M257-V261 PolarHBondContact O-N 3.12Å; L258-V261 PolarHBondContact O-N 3.15Å; V261-R264 PolarHBondContact O-N 3.07Å; V261-I265 HydrophobicContact CG1-CD1 3.7Å; V261-I265 HydrophobicContact CG1-CG1 4.29Å; V261-I265 VanDerWaalsContact O-CG1 3.29Å; V261-I265 WeakPolarHBondContact O-CG1 3.35Å; V261-I265 PolarHBondContact O-N 3.03Å
262N89.6Confident88Confident45 Ų4574.4 Ų74.424%0.24138%0.384CS..Hα-helixtrans-60.3-46.6175.9-79.9-21.4000112K129 L258 A259 R264 I265 D266K129-N262 VanDerWaalsContact CD-OD1 3.26Å; K129-N262 WeakPolarHBondContact CD-OD1 3.22Å; K129-N262 WeakPolarHBondContact CE-OD1 3.4Å; L258-N262 VanDerWaalsContact CD2-ND2 3.33Å; L258-N262 WeakPolarHBondContact CD2-ND2 3.39Å; L258-N262 WeakPolarHBondContact O-CB 3.29Å; L258-N262 PolarHBondContact O-N 3.47Å; A259-N262 PolarHBondContact O-N 3.36Å; N262-R264 VanDerWaalsContact C-N 3.31Å; N262-R264 PolarHBondContact O-N 3.2Å; N262-I265 PolarHBondContact O-N 3.24Å; N262-I265 VanDerWaalsContact O-N 3.15Å; N262-D266 PolarHBondContact O-N 3.06Å
263A92.4Very high88.4Confident50 Ų5070.5 Ų70.541%0.41337%0.368SS..Hα-helixtrans-58.8-42.5176.900000112.1A259 I265 D266 D267A259-A263 PolarHBondContact O-N 3.34Å; A259-A263 VanDerWaalsContact O-N 3.12Å; A263-I265 PolarHBondContact O-N 3.24Å; A263-D266 PolarHBondContact O-N 3.18Å; A263-D267 VanDerWaalsContact O-CG 3.29Å; A263-D267 PolarHBondContact O-N 2.76Å
264R90.4Very high88.8Confident163 Ų16370.7 Ų70.762%0.61537%0.369SS*.Hα-helixtrans-66.3-36176.2-72.8179.6-177.8-173.61.9113.3L125 G260 V261 N262 L268L125-R264 HydrophobicContact CD1-CB 4.4Å; G260-R264 WeakPolarHBondContact O-CG 3.41Å; G260-R264 PolarHBondContact O-N 3.47Å; G260-R264 VanDerWaalsContact O-N 3.17Å; V261-R264 PolarHBondContact O-N 3.07Å; N262-R264 VanDerWaalsContact C-N 3.31Å; N262-R264 PolarHBondContact O-N 3.2Å; R264-L268 WeakPolarHBondContact O-CB 3.37Å; R264-L268 VanDerWaalsContact O-CG 3.32Å; R264-L268 WeakPolarHBondContact O-CG 3.5Å; R264-L268 PolarHBondContact O-N 2.94Å
265I90.5Very high89.2Confident6 Ų671.8 Ų71.83%0.03138%0.376CS..Hα-helixtrans-64.1-45175.5-74.6169.5000109.5F122 L125 K129 V261 N262 A263 L268 Q269F122-I265 HydrophobicContact CD2-CG2 4.48Å; F122-I265 HydrophobicContact CE2-CG2 3.71Å; F122-I265 HydrophobicContact CZ-CG2 4.28Å; L125-I265 HydrophobicContact CB-CD1 4.24Å; L125-I265 HydrophobicContact CB-CG1 3.88Å; K129-I265 HydrophobicContact CB-CD1 3.89Å; K129-I265 HydrophobicContact CD-CD1 3.71Å; K129-I265 HydrophobicContact CG-CD1 4.36Å; V261-I265 HydrophobicContact CG1-CD1 3.7Å; V261-I265 HydrophobicContact CG1-CG1 4.29Å; V261-I265 VanDerWaalsContact O-CG1 3.29Å; V261-I265 WeakPolarHBondContact O-CG1 3.35Å; V261-I265 PolarHBondContact O-N 3.03Å; N262-I265 PolarHBondContact O-N 3.24Å; N262-I265 VanDerWaalsContact O-N 3.15Å; A263-I265 PolarHBondContact O-N 3.24Å; I265-L268 PolarHBondContact O-N 2.84Å; I265-Q269 VanDerWaalsContact O-CB 3.27Å; I265-Q269 WeakPolarHBondContact O-CB 3.3Å; I265-Q269 PolarHBondContact O-N 3.4Å
266D90.9Very high89.4Confident99 Ų9968.2 Ų68.253%0.52936%0.362SS..Hα-helixtrans-62.4-44178.1-64.6-22000111.1N262 A263 Q269 M270N262-D266 PolarHBondContact O-N 3.06Å; A263-D266 PolarHBondContact O-N 3.18Å; D266-Q269 PolarHBondContact O-N 3.45Å; D266-M270 PolarHBondContact O-N 3.28Å
267D91.8Very high89.6Confident107 Ų10765.8 Ų65.857%0.57235%0.354SS*.Hα-helixtrans-61.3-47.7175.3-70.1-21.9000112A263 Q269 M270 V271A263-D267 VanDerWaalsContact O-CG 3.29Å; A263-D267 PolarHBondContact O-N 2.76Å; D267-Q269 VanDerWaalsContact C-N 3.32Å; D267-Q269 PolarHBondContact O-N 2.84Å; D267-M270 WeakPolarHBondContact O-CB 3.06Å; D267-M270 PolarHBondContact O-N 3.4Å; D267-V271 WeakPolarHBondContact O-CG2 3.17Å; D267-V271 PolarHBondContact O-N 3.43Å
268L89.4Confident89.7Confident35 Ų3566.2 Ų66.218%0.18335%0.354CS..Hα-helixtrans-65.1-36.9178.7-79.4167.9000112L118 F122 L125 R264 I265 M270 V271 L272L118-L268 HydrophobicContact CD2-CD2 3.61Å; F122-L268 HydrophobicContact CD2-CB 4.29Å; L125-L268 HydrophobicContact CD1-CD1 3.27Å; R264-L268 WeakPolarHBondContact O-CB 3.37Å; R264-L268 VanDerWaalsContact O-CG 3.32Å; R264-L268 WeakPolarHBondContact O-CG 3.5Å; R264-L268 PolarHBondContact O-N 2.94Å; I265-L268 PolarHBondContact O-N 2.84Å; L268-M270 VanDerWaalsContact C-N 3.33Å; L268-V271 PolarHBondContact O-N 2.83Å; L268-L272 VanDerWaalsContact O-CB 3.3Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 PolarHBondContact O-N 3.34Å
269Q88.8Confident89.8Confident88 Ų8866.1 Ų66.141%0.41135%0.351SS..Hα-helixtrans-66-38.5176.6-169.9157.3-4.300111.1F122 I265 D266 D267 L272 N273F122-Q269 HydrophobicContact CE2-CB 4.07Å; I265-Q269 VanDerWaalsContact O-CB 3.27Å; I265-Q269 WeakPolarHBondContact O-CB 3.3Å; I265-Q269 PolarHBondContact O-N 3.4Å; D266-Q269 PolarHBondContact O-N 3.45Å; D267-Q269 VanDerWaalsContact C-N 3.32Å; D267-Q269 PolarHBondContact O-N 2.84Å; Q269-L272 PolarHBondContact O-N 2.92Å; Q269-N273 WeakPolarHBondContact O-CB 3.47Å; Q269-N273 PolarHBondContact O-N 2.85Å; Q269-N273 PolarHBondContact O-ND2 3.44Å
270M89.9Confident89.9Confident120 Ų12067.5 Ų67.559%0.59135%0.348SS*.Hα-helixtrans-62.1-45.2172.6-173.2173.5-177.400111.8D266 D267 L268 N273 Q274D266-M270 PolarHBondContact O-N 3.28Å; D267-M270 WeakPolarHBondContact O-CB 3.06Å; D267-M270 PolarHBondContact O-N 3.4Å; L268-M270 VanDerWaalsContact C-N 3.33Å; M270-N273 PolarHBondContact O-N 2.91Å; M270-Q274 WeakPolarHBondContact O-CG 3.3Å; M270-Q274 PolarHBondContact O-N 3.41Å
271V91.7Very high89.9Confident63 Ų6373.2 Ų73.238%0.38236%0.359SS..Hα-helixtrans-65.7-39.9177.51750000111.6L118 D267 L268 Q274 T275L118-V271 HydrophobicContact CD1-CG1 4.04Å; L118-V271 HydrophobicContact CD2-CG1 4.35Å; D267-V271 WeakPolarHBondContact O-CG2 3.17Å; D267-V271 PolarHBondContact O-N 3.43Å; L268-V271 PolarHBondContact O-N 2.83Å; V271-Q274 PolarHBondContact O-N 3.11Å; V271-T275 WeakPolarHBondContact O-CB 3.49Å; V271-T275 PolarHBondContact O-N 2.99Å; V271-T275 PolarHBondContact O-OG1 3.43Å
272L88.9Confident89.8Confident23 Ų2373.6 Ų73.612%0.1236%0.361CS..Hα-helixtrans-62.2-47177.9-170.471.5000110.6Q115 L118 K119 L268 Q269 Q274 T275 E276Q115-L272 HydrophobicContact CG-CD1 4.17Å; L118-L272 HydrophobicContact CB-CD1 4.23Å; K119-L272 HydrophobicContact CG-CD1 3.98Å; L268-L272 VanDerWaalsContact O-CB 3.3Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 PolarHBondContact O-N 3.34Å; Q269-L272 PolarHBondContact O-N 2.92Å; L272-Q274 PolarHBondContact O-N 3.41Å; L272-T275 PolarHBondContact O-N 3.46Å; L272-E276 WeakPolarHBondContact O-CG 3.49Å; L272-E276 PolarHBondContact O-N 3.03Å
273N89.9Confident89.8Confident79 Ų7971.5 Ų71.542%0.42235%0.35SS..Hα-helixtrans-60.8-44.8176.8-68.7-16.5000111.6Q269 M270 T275 E276 D277Q269-N273 WeakPolarHBondContact O-CB 3.47Å; Q269-N273 PolarHBondContact O-N 2.85Å; Q269-N273 PolarHBondContact O-ND2 3.44Å; M270-N273 PolarHBondContact O-N 2.91Å; N273-T275 VanDerWaalsContact C-N 3.31Å; N273-T275 PolarHBondContact O-N 3.39Å; N273-E276 PolarHBondContact O-N 3.27Å; N273-D277 WeakPolarHBondContact O-CB 3.45Å; N273-D277 PolarHBondContact O-N 3.29Å
274Q90.4Very high89.6Confident108 Ų10873.3 Ų73.351%0.50535%0.35SS..Hα-helixtrans-63-37.8176.8-73177.5300112.7M270 V271 L272 H278M270-Q274 WeakPolarHBondContact O-CG 3.3Å; M270-Q274 PolarHBondContact O-N 3.41Å; V271-Q274 PolarHBondContact O-N 3.11Å; L272-Q274 PolarHBondContact O-N 3.41Å; Q274-H278 WeakPolarHBondContact O-CB 3.47Å; Q274-H278 PolarHBondContact O-N 2.91Å
275T89.4Confident89.5Confident27 Ų2768.4 Ų68.417%0.16634%0.344CS..Hα-helixtrans-68.3-41.5177.4-54.80000110.6I111 V271 L272 N273 H278 R279I111-T275 HydrophobicContact CG2-CG2 4.15Å; V271-T275 WeakPolarHBondContact O-CB 3.49Å; V271-T275 PolarHBondContact O-N 2.99Å; V271-T275 PolarHBondContact O-OG1 3.43Å; L272-T275 PolarHBondContact O-N 3.46Å; N273-T275 VanDerWaalsContact C-N 3.31Å; N273-T275 PolarHBondContact O-N 3.39Å; T275-H278 PolarHBondContact O-N 3.29Å; T275-R279 WeakPolarHBondContact O-CB 3.28Å; T275-R279 PolarHBondContact O-N 3.3Å
276E86.8Confident89.3Confident65 Ų6568.2 Ų68.230%0.30434%0.344SS..Hα-helixtrans-64.6-44.6174.7-74.5-163.9166.700112.3Q115 L272 N273 H278 R279 Q280Q115-E276 PolarHBondContact NE2-OE1 2.96Å; L272-E276 WeakPolarHBondContact O-CG 3.49Å; L272-E276 PolarHBondContact O-N 3.03Å; N273-E276 PolarHBondContact O-N 3.27Å; E276-H278 VanDerWaalsContact C-N 3.29Å; E276-H278 PolarHBondContact O-N 3.17Å; E276-R279 PolarHBondContact O-N 2.87Å; E276-Q280 VanDerWaalsContact O-CB 3.31Å; E276-Q280 WeakPolarHBondContact O-CB 3.49Å; E276-Q280 PolarHBondContact O-N 2.94Å
277D89.8Confident89.2Confident96 Ų9663.8 Ų63.851%0.51332%0.32SS..Hα-helixtrans-62.3-37.8175.6-76.5-23.5000112N273 R281N273-D277 WeakPolarHBondContact O-CB 3.45Å; N273-D277 PolarHBondContact O-N 3.29Å; D277-R281 WeakPolarHBondContact O-CB 3.35Å; D277-R281 VanDerWaalsContact O-CG 3.29Å; D277-R281 WeakPolarHBondContact O-CG 3.38Å; D277-R281 PolarHBondContact O-N 3.29Å; D277-R281 PolarHBondContact O-NE 3.34Å; D277-R281 VanDerWaalsContact O-NE 3.14Å
278H89.2Confident88.9Confident73 Ų7366 Ų6634%0.33833%0.325SS..Hα-helixtrans-67-49.1174.9-174.652000111.3E107 Q274 T275 E276 Q280 R281 V282E107-H278 IonicContact OE1-NE2 2.66Å; Q274-H278 WeakPolarHBondContact O-CB 3.47Å; Q274-H278 PolarHBondContact O-N 2.91Å; T275-H278 PolarHBondContact O-N 3.29Å; E276-H278 VanDerWaalsContact C-N 3.29Å; E276-H278 PolarHBondContact O-N 3.17Å; H278-Q280 VanDerWaalsContact C-N 3.3Å; H278-Q280 PolarHBondContact O-N 3.33Å; H278-R281 PolarHBondContact O-N 2.74Å; H278-V282 WeakPolarHBondContact O-CG2 3.44Å; H278-V282 PolarHBondContact O-N 3.34Å
279R87.6Confident88.7Confident39 Ų3966.9 Ų66.915%0.14733%0.332CS..Hα-helixtrans-55.3-45.9175.4-168.5-174.569.998.53111.4I111 T275 E276 V282 L283I111-R279 HydrophobicContact CG2-CB 3.87Å; I111-R279 HydrophobicContact CG2-CG 3.84Å; T275-R279 WeakPolarHBondContact O-CB 3.28Å; T275-R279 PolarHBondContact O-N 3.3Å; E276-R279 PolarHBondContact O-N 2.87Å; R279-V282 PolarHBondContact O-N 2.91Å; R279-L283 HydrophobicContact CG-CD1 3.98Å; R279-L283 HydrophobicContact CG-CG 4.47Å; R279-L283 WeakPolarHBondContact O-CB 3.46Å; R279-L283 VanDerWaalsContact O-CG 3.28Å; R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 3.04Å
280Q88.7Confident88.6Confident88 Ų8862.7 Ų62.741%0.41131%0.312SS..Hα-helixtrans-66-38.8-179.4-174.4161.2-16.600112E276 H278 L283 Q284E276-Q280 VanDerWaalsContact O-CB 3.31Å; E276-Q280 WeakPolarHBondContact O-CB 3.49Å; E276-Q280 PolarHBondContact O-N 2.94Å; H278-Q280 VanDerWaalsContact C-N 3.3Å; H278-Q280 PolarHBondContact O-N 3.33Å; Q280-L283 PolarHBondContact O-N 2.72Å; Q280-Q284 HydrophobicContact CG-CG 4.44Å; Q280-Q284 VanDerWaalsContact O-CB 3.31Å; Q280-Q284 WeakPolarHBondContact O-CB 3.31Å; Q280-Q284 WeakPolarHBondContact O-CG 3.38Å; Q280-Q284 PolarHBondContact O-N 3.17Å
281R90.1Very high88.3Confident154 Ų15460.5 Ų60.558%0.58130%0.297SS*.Hα-helixtrans-62.9-44.7173.6-78.1179.9-70.7155.3-5.1112.4D277 H278 Q284 A285D277-R281 WeakPolarHBondContact O-CB 3.35Å; D277-R281 VanDerWaalsContact O-CG 3.29Å; D277-R281 WeakPolarHBondContact O-CG 3.38Å; D277-R281 PolarHBondContact O-N 3.29Å; D277-R281 PolarHBondContact O-NE 3.34Å; D277-R281 VanDerWaalsContact O-NE 3.14Å; H278-R281 PolarHBondContact O-N 2.74Å; R281-Q284 PolarHBondContact O-N 3.24Å; R281-A285 WeakPolarHBondContact O-CB 3.48Å; R281-A285 PolarHBondContact O-N 2.99Å
282V89.4Confident88Confident18 Ų1859 Ų5911%0.10929%0.289CS..Hα-helixtrans-63.1-47.1177174.80000110.5L108 H278 R279 Q284 A285 A286L108-V282 HydrophobicContact CD2-CG1 4.11Å; H278-V282 WeakPolarHBondContact O-CG2 3.44Å; H278-V282 PolarHBondContact O-N 3.34Å; R279-V282 PolarHBondContact O-N 2.91Å; V282-Q284 VanDerWaalsContact C-N 3.35Å; V282-Q284 PolarHBondContact O-N 2.95Å; V282-A285 PolarHBondContact O-N 3.34Å; V282-A286 WeakPolarHBondContact O-CB 3.33Å; V282-A286 PolarHBondContact O-N 3.03Å
283L88.9Confident88Confident1 Ų160.2 Ų60.21%0.00529%0.292CS..Hα-helixtrans-63.7-37.5177.8-71.3173000112.5E71 I72 A75 I77 L108 R279 Q280 A286 A287E71-L283 HydrophobicContact CB-CD2 4.25Å; I72-L283 HydrophobicContact CG1-CD2 3.88Å; A75-L283 HydrophobicContact CB-CD1 3.83Å; I77-L283 HydrophobicContact CD1-CB 3.62Å; I77-L283 HydrophobicContact CD1-CD1 4.43Å; L108-L283 HydrophobicContact CD1-CD2 4.09Å; L108-L283 HydrophobicContact CD2-CD2 3.82Å; L108-L283 HydrophobicContact CD2-CG 4.17Å; R279-L283 HydrophobicContact CG-CD1 3.98Å; R279-L283 HydrophobicContact CG-CG 4.47Å; R279-L283 WeakPolarHBondContact O-CB 3.46Å; R279-L283 VanDerWaalsContact O-CG 3.28Å; R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 3.04Å; Q280-L283 PolarHBondContact O-N 2.72Å; L283-A286 PolarHBondContact O-N 3.32Å; L283-A287 WeakPolarHBondContact O-CB 3.46Å; L283-A287 PolarHBondContact O-N 3.29Å
284Q88.9Confident87.9Confident87 Ų8757 Ų5741%0.40727%0.274SS..Hα-helixtrans-67.6-39.3174.8-77.7177.63.600112.4I77 Q280 R281 V282 K288I77-Q284 HydrophobicContact CD1-CG 4.16Å; I77-Q284 HydrophobicContact CG2-CG 4.49Å; Q280-Q284 HydrophobicContact CG-CG 4.44Å; Q280-Q284 VanDerWaalsContact O-CB 3.31Å; Q280-Q284 WeakPolarHBondContact O-CB 3.31Å; Q280-Q284 WeakPolarHBondContact O-CG 3.38Å; Q280-Q284 PolarHBondContact O-N 3.17Å; R281-Q284 PolarHBondContact O-N 3.24Å; V282-Q284 VanDerWaalsContact C-N 3.35Å; V282-Q284 PolarHBondContact O-N 2.95Å; Q284-K288 WeakPolarHBondContact O-CG 3.3Å; Q284-K288 PolarHBondContact O-N 3.17Å
285A88Confident87.7Confident61 Ų6153 Ų5350%0.50426%0.256SS..Hα-helixtrans-63.9-44.9174.500000110.9R281 V282 K288R281-A285 WeakPolarHBondContact O-CB 3.48Å; R281-A285 PolarHBondContact O-N 2.99Å; V282-A285 PolarHBondContact O-N 3.34Å; A285-K288 PolarHBondContact O-N 2.85Å
286A87.6Confident87.6Confident2 Ų254.4 Ų54.42%0.01726%0.259CS..Hα-helixtrans-63.3-44.5175.400000112.1V68 I72 L104 V282 L283 K288 T289 V290V68-A286 HydrophobicContact CG1-CB 4.32Å; I72-A286 HydrophobicContact CD1-CB 4.39Å; L104-A286 HydrophobicContact CD1-CB 4.07Å; V282-A286 WeakPolarHBondContact O-CB 3.33Å; V282-A286 PolarHBondContact O-N 3.03Å; L283-A286 PolarHBondContact O-N 3.32Å; A286-K288 PolarHBondContact O-N 3.33Å; A286-K288 VanDerWaalsContact O-N 3.09Å; A286-T289 PolarHBondContact O-N 3.31Å; A286-T289 PolarHBondContact O-OG1 3.08Å; A286-V290 HydrophobicContact CB-CG2 4.22Å; A286-V290 WeakPolarHBondContact O-CB 3.36Å; A286-V290 WeakPolarHBondContact O-CG2 3.26Å; A286-V290 PolarHBondContact O-N 2.89Å
287A87.3Confident87.7Confident5 Ų551.3 Ų51.34%0.04125%0.245CC..Hα-helixtrans-59-26.8-177.200000113.5I72 I77 L283I72-A287 HydrophobicContact CD1-CB 4.15Å; I72-A287 HydrophobicContact CG2-CB 4.09Å; I77-A287 HydrophobicContact CG2-CB 3.88Å; L283-A287 WeakPolarHBondContact O-CB 3.46Å; L283-A287 PolarHBondContact O-N 3.29Å
288K86Confident87.6Confident155 Ų15550 Ų5067%0.67423%0.233SC*.Hα-helixtrans-70-33175.8-69.2175.2-176.5-178.90113.3Q284 A285 A286Q284-K288 WeakPolarHBondContact O-CG 3.3Å; Q284-K288 PolarHBondContact O-N 3.17Å; A285-K288 PolarHBondContact O-N 2.85Å; A286-K288 PolarHBondContact O-N 3.33Å; A286-K288 VanDerWaalsContact O-N 3.09Å
289T85.6Confident87.6Confident52 Ų5246.7 Ų46.732%0.31922%0.218SC..Hα-helixtrans-112.7-14.6-171.253.40000114A286 R291 V292 W293A286-T289 PolarHBondContact O-N 3.31Å; A286-T289 PolarHBondContact O-OG1 3.08Å; T289-R291 VanDerWaalsContact C-N 3.27Å; T289-R291 PolarHBondContact O-N 3.18Å; T289-V292 WeakPolarHBondContact O-CB 3.46Å; T289-V292 PolarHBondContact O-N 2.91Å; T289-V292 VanDerWaalsContact O-N 3.09Å; T289-W293 PolarHBondContact O-N 2.9Å; T289-W293 WeakPolarHBondContact OG1-CH2 3.47Å; T289-W293 WeakPolarHBondContact OG1-CZ2 3.42Å; T289-W293 WeakPolarHBondContact OG1-CZ3 3.34Å
290V86.3Confident87.6Confident0 Ų044.9 Ų44.90%021%0.211CC..Hα-helixtrans-55.1-37.8-175.9157.10000113V68 I72 A286 W293 F294V68-V290 HydrophobicContact CG1-CG2 4Å; I72-V290 HydrophobicContact CD1-CB 4.46Å; I72-V290 HydrophobicContact CD1-CG2 3.9Å; A286-V290 HydrophobicContact CB-CG2 4.22Å; A286-V290 WeakPolarHBondContact O-CB 3.36Å; A286-V290 WeakPolarHBondContact O-CG2 3.26Å; A286-V290 PolarHBondContact O-N 2.89Å; V290-W293 HydrophobicContact CG2-CE3 3.96Å; V290-W293 HydrophobicContact CG2-CZ3 4.18Å; V290-W293 PolarHBondContact O-N 3.04Å; V290-F294 HydrophobicContact CG1-CD2 3.67Å; V290-F294 HydrophobicContact CG1-CE2 3.56Å; V290-F294 VanDerWaalsContact O-CD2 3.23Å; V290-F294 WeakPolarHBondContact O-CD2 3.12Å; V290-F294 PolarHBondContact O-N 2.93Å
291R83.2Confident87.7Confident74 Ų7443.3 Ų43.328%0.27920%0.203SC..Hα-helixtrans-65.1-45.3177.4-71.1-69.6177.4-143.4-8.2112.5E69 I79 T289 W293 F294 I295E69-R291 IonicContact OE1-CZ 3.83Å; E69-R291 IonicContact OE1-NH1 3.3Å; E69-R291 PolarHBondContact OE1-NH1 3.07Å; E69-R291 VanDerWaalsContact OE1-NH1 3.09Å; E69-R291 IonicContact OE1-NH2 2.89Å; E69-R291 PolarHBondContact OE1-NH2 3.42Å; I79-R291 HydrophobicContact CG2-CG 3.47Å; I79-R291 VanDerWaalsContact CG2-CG 3.47Å; T289-R291 VanDerWaalsContact C-N 3.27Å; T289-R291 PolarHBondContact O-N 3.18Å; R291-W293 VanDerWaalsContact C-N 3.29Å; R291-W293 PolarHBondContact O-N 2.94Å; R291-F294 PolarHBondContact O-N 3.01Å; R291-I295 WeakPolarHBondContact O-CG1 3.45Å; R291-I295 PolarHBondContact O-N 3.44Å
292V86.3Confident87.6Confident33 Ų3336.5 Ų36.520%0.218%0.179CC..Hα-helixtrans-60.2-41.9175.1172.40000110.5P86 T289 I295 K296P86-V292 HydrophobicContact CB-CG1 4.01Å; P86-V292 HydrophobicContact CG-CG1 3.96Å; T289-V292 WeakPolarHBondContact O-CB 3.46Å; T289-V292 PolarHBondContact O-N 2.91Å; T289-V292 VanDerWaalsContact O-N 3.09Å; V292-I295 PolarHBondContact O-N 3.09Å; V292-K296 HydrophobicContact CG1-CD 4.29Å; V292-K296 WeakPolarHBondContact O-CG 3.43Å; V292-K296 PolarHBondContact O-N 3.18Å
293W88.3Confident87.7Confident48 Ų4835.7 Ų35.718%0.18217%0.174CC..Hα-helixtrans-63.7-42.9176.6-67-24.6000112.9L65 F101 L104 T289 V290 R291 I295 K296 V297L65-W293 HydrophobicContact CD1-CB 4.01Å; L65-W293 HydrophobicContact CD2-CB 3.97Å; L65-W293 HydrophobicContact CD2-CE3 3.99Å; F101-W293 HydrophobicContact CD1-CD2 4.45Å; F101-W293 HydrophobicContact CD1-CE3 4.32Å; F101-W293 HydrophobicContact CE1-CB 4.02Å; F101-W293 AromaticContact CE1-CD2 3.45Å; F101-W293 HydrophobicContact CE1-CD2 3.45Å; F101-W293 VanDerWaalsContact CE1-CD2 3.45Å; F101-W293 AromaticContact CE1-CE2 3.86Å; F101-W293 AromaticContact CE1-CE3 3.7Å; F101-W293 HydrophobicContact CE1-CE3 3.7Å; F101-W293 AromaticContact CE1-CG 3.61Å; F101-W293 HydrophobicContact CE1-CG 3.61Å; F101-W293 HydrophobicContact CE1-CZ2 4.45Å; F101-W293 HydrophobicContact CE1-CZ3 4.3Å; F101-W293 HydrophobicContact CZ-CB 3.71Å; F101-W293 HydrophobicContact CZ-CD2 4.06Å; F101-W293 AromaticContact CZ-CG 3.68Å; F101-W293 HydrophobicContact CZ-CG 3.68Å; L104-W293 HydrophobicContact CD1-CH2 4.49Å; L104-W293 HydrophobicContact CD1-CZ3 4.46Å; T289-W293 PolarHBondContact O-N 2.9Å; T289-W293 WeakPolarHBondContact OG1-CH2 3.47Å; T289-W293 WeakPolarHBondContact OG1-CZ2 3.42Å; T289-W293 WeakPolarHBondContact OG1-CZ3 3.34Å; V290-W293 HydrophobicContact CG2-CE3 3.96Å; V290-W293 HydrophobicContact CG2-CZ3 4.18Å; V290-W293 PolarHBondContact O-N 3.04Å; R291-W293 VanDerWaalsContact C-N 3.29Å; R291-W293 PolarHBondContact O-N 2.94Å; W293-I295 PolarHBondContact O-N 3.43Å; W293-K296 PolarHBondContact O-N 3.03Å; W293-V297 WeakPolarHBondContact O-CG2 3.41Å; W293-V297 PolarHBondContact O-N 2.94Å
294F87.3Confident87.7Confident10 Ų1036.3 Ų36.34%0.04418%0.177CC..Hα-helixtrans-58.9-46.4172.9-89.2-65.6000112.1D62 L65 R66 E69 V290 R291 K296 V297 R298D62-F294 WeakPolarHBondContact OD1-CD1 3.09Å; D62-F294 WeakPolarHBondContact OD1-CE1 2.99Å; L65-F294 VanDerWaalsContact C-CZ 3.48Å; L65-F294 HydrophobicContact CB-CD1 4.16Å; L65-F294 HydrophobicContact CB-CE1 3.65Å; L65-F294 HydrophobicContact CB-CE2 4.14Å; L65-F294 HydrophobicContact CB-CZ 3.65Å; L65-F294 HydrophobicContact CD1-CD1 4.3Å; L65-F294 HydrophobicContact CD1-CG 4.48Å; R66-F294 HydrophobicContact CG-CE1 4.05Å; R66-F294 HydrophobicContact CG-CZ 4.23Å; E69-F294 HydrophobicContact CB-CE2 4.01Å; E69-F294 HydrophobicContact CB-CZ 4.15Å; E69-F294 HydrophobicContact CG-CE2 4.4Å; V290-F294 HydrophobicContact CG1-CD2 3.67Å; V290-F294 HydrophobicContact CG1-CE2 3.56Å; V290-F294 VanDerWaalsContact O-CD2 3.23Å; V290-F294 WeakPolarHBondContact O-CD2 3.12Å; V290-F294 PolarHBondContact O-N 2.93Å; R291-F294 PolarHBondContact O-N 3.01Å; F294-K296 PolarHBondContact O-N 3.34Å; F294-V297 PolarHBondContact O-N 3.15Å; F294-R298 WeakPolarHBondContact O-CB 3.41Å; F294-R298 VanDerWaalsContact O-CG 3.28Å; F294-R298 WeakPolarHBondContact O-CG 3.25Å; F294-R298 PolarHBondContact O-N 3.3Å
295I86.4Confident87.7Confident25 Ų2537.2 Ų37.213%0.12818%0.181CC..Hα-helixtrans-59.4-49.9179.1-66.7163.2000109.8P86 R291 V292 W293 R298 K299 L832P86-I295 HydrophobicContact CG-CB 4.04Å; P86-I295 HydrophobicContact CG-CG2 3.65Å; R291-I295 WeakPolarHBondContact O-CG1 3.45Å; R291-I295 PolarHBondContact O-N 3.44Å; V292-I295 PolarHBondContact O-N 3.09Å; W293-I295 PolarHBondContact O-N 3.43Å; I295-R298 PolarHBondContact O-N 2.8Å; I295-K299 HydrophobicContact CG2-CD 4.19Å; I295-K299 HydrophobicContact CG2-CG 4.27Å; I295-K299 WeakPolarHBondContact O-CB 3.4Å; I295-K299 WeakPolarHBondContact O-CG 3.46Å; I295-K299 PolarHBondContact O-N 2.63Å; I295-L832 HydrophobicContact CB-CD2 3.98Å; I295-L832 HydrophobicContact CG1-CD1 4.32Å; I295-L832 HydrophobicContact CG1-CD2 3.69Å; I295-L832 HydrophobicContact CG2-CD1 3.96Å; I295-L832 HydrophobicContact CG2-CD2 3.9Å
296K88.1Confident87.8Confident56 Ų5634.8 Ų34.824%0.24316%0.159CC..Hα-helixtrans-57-54.9179-73.4-175.6172.5-172.40111.6P86 P89 V292 W293 F294 R298 K299 M300P86-K296 HydrophobicContact CB-CG 4.38Å; P86-K296 HydrophobicContact CG-CG 4.08Å; P89-K296 HydrophobicContact CG-CB 4.16Å; P89-K296 HydrophobicContact CG-CD 4.35Å; P89-K296 HydrophobicContact CG-CG 4.35Å; V292-K296 HydrophobicContact CG1-CD 4.29Å; V292-K296 WeakPolarHBondContact O-CG 3.43Å; V292-K296 PolarHBondContact O-N 3.18Å; W293-K296 PolarHBondContact O-N 3.03Å; F294-K296 PolarHBondContact O-N 3.34Å; K296-R298 VanDerWaalsContact C-N 3.33Å; K296-R298 PolarHBondContact O-N 3.32Å; K296-K299 PolarHBondContact O-N 3.37Å; K296-M300 VanDerWaalsContact O-CG 3.25Å; K296-M300 WeakPolarHBondContact O-CG 3.43Å; K296-M300 PolarHBondContact O-N 2.97Å
297V89.2Confident87.9Confident1 Ų134.9 Ų34.91%0.00616%0.16CC..Hα-helixtrans-61.2-40.6-177.5174.90000111.9C58 M61 D62 L65 F101 W293 F294 M300 K301C58-V297 HydrophobicContact CB-CG1 4.48Å; C58-V297 VanDerWaalsContact O-CG1 3.3Å; C58-V297 WeakPolarHBondContact O-CG1 3.35Å; M61-V297 HydrophobicContact CB-CG1 3.99Å; M61-V297 HydrophobicContact CB-CG2 4.17Å; M61-V297 HydrophobicContact CE-CG2 4.08Å; D62-V297 HydrophobicContact CB-CG1 4.16Å; L65-V297 HydrophobicContact CD1-CB 4.32Å; L65-V297 HydrophobicContact CD1-CG2 3.83Å; F101-V297 HydrophobicContact CE2-CG2 3.75Å; F101-V297 HydrophobicContact CZ-CG2 4.4Å; W293-V297 WeakPolarHBondContact O-CG2 3.41Å; W293-V297 PolarHBondContact O-N 2.94Å; F294-V297 PolarHBondContact O-N 3.15Å; V297-M300 PolarHBondContact O-N 3.38Å; V297-K301 WeakPolarHBondContact O-CB 3.46Å; V297-K301 PolarHBondContact O-N 3.22Å
298R88.1Confident88Confident67 Ų6735.2 Ų35.225%0.25316%0.161SC..Hα-helixtrans-66.7-42.5177.1-72.7-179.6178.4-159.9-2.7112.4F294 I295 K296 M300 K301 A302F294-R298 WeakPolarHBondContact O-CB 3.41Å; F294-R298 VanDerWaalsContact O-CG 3.28Å; F294-R298 WeakPolarHBondContact O-CG 3.25Å; F294-R298 PolarHBondContact O-N 3.3Å; I295-R298 PolarHBondContact O-N 2.8Å; K296-R298 VanDerWaalsContact C-N 3.33Å; K296-R298 PolarHBondContact O-N 3.32Å; R298-M300 VanDerWaalsContact C-N 3.34Å; R298-M300 PolarHBondContact O-N 2.96Å; R298-K301 PolarHBondContact O-N 3.29Å; R298-A302 WeakPolarHBondContact O-CB 3.28Å; R298-A302 PolarHBondContact O-N 3.25Å
299K88.6Confident88Confident5 Ų529.1 Ų29.12%0.02214%0.135CC..Hα-helixtrans-59.7-44.3173-70.7-166.6-179.7-175.40111E31 P86 V88 I295 K296 A302 I303 F828E31-K299 IonicContact OE1-NZ 2.61Å; E31-K299 PolarHBondContact OE1-NZ 3.32Å; E31-K299 IonicContact OE2-NZ 3.09Å; P86-K299 PolarHBondContact O-NZ 3.26Å; V88-K299 HydrophobicContact CG2-CB 4.17Å; V88-K299 HydrophobicContact CG2-CD 3.68Å; I295-K299 HydrophobicContact CG2-CD 4.19Å; I295-K299 HydrophobicContact CG2-CG 4.27Å; I295-K299 WeakPolarHBondContact O-CB 3.4Å; I295-K299 WeakPolarHBondContact O-CG 3.46Å; I295-K299 PolarHBondContact O-N 2.63Å; K296-K299 PolarHBondContact O-N 3.37Å; K299-A302 WeakPolarHBondContact O-CB 3.3Å; K299-A302 PolarHBondContact O-N 2.77Å; K299-I303 WeakPolarHBondContact O-CD1 3.33Å; K299-I303 VanDerWaalsContact O-CG1 3.29Å; K299-I303 WeakPolarHBondContact O-CG1 3.47Å; K299-I303 PolarHBondContact O-N 3.01Å; K299-F828 HydrophobicContact CB-CD1 3.92Å; K299-F828 HydrophobicContact CB-CE1 3.82Å; K299-F828 HydrophobicContact CB-CZ 4.37Å; K299-F828 HydrophobicContact CD-CB 4.28Å; K299-F828 HydrophobicContact CD-CD1 4.09Å; K299-F828 HydrophobicContact CD-CD2 3.97Å; K299-F828 HydrophobicContact CD-CE1 4.43Å; K299-F828 HydrophobicContact CD-CE2 4.31Å; K299-F828 HydrophobicContact CD-CG 3.85Å; K299-F828 HydrophobicContact CG-CB 4.19Å; K299-F828 HydrophobicContact CG-CD1 3.56Å; K299-F828 HydrophobicContact CG-CD2 4.37Å; K299-F828 HydrophobicContact CG-CE1 3.98Å; K299-F828 HydrophobicContact CG-CG 3.79Å
300M88.6Confident88.1Confident0 Ų026.8 Ų26.80%012%0.121CC..Hα-helixtrans-62.3-46.7176.8-62-175.987.300112.3Y23 P89 M94 K296 V297 R298 A302 I303 Y304Y23-M300 WeakPolarHBondContact OH-CE 3.3Å; Y23-M300 VanDerWaalsContact OH-CG 3.31Å; Y23-M300 WeakPolarHBondContact OH-CG 3.49Å; P89-M300 HydrophobicContact CG-CE 4.14Å; P89-M300 HydrophobicContact CG-CG 3.78Å; P89-M300 HydrophobicContact CG-SD 3.51Å; P89-M300 VanDerWaalsContact CG-SD 3.51Å; M94-M300 HydrophobicContact CB-CE 3.73Å; M94-M300 HydrophobicContact CG-CE 3.68Å; M94-M300 HydrophobicContact CG-SD 4.32Å; M94-M300 HydrophobicContact SD-CE 3.69Å; K296-M300 VanDerWaalsContact O-CG 3.25Å; K296-M300 WeakPolarHBondContact O-CG 3.43Å; K296-M300 PolarHBondContact O-N 2.97Å; V297-M300 PolarHBondContact O-N 3.38Å; R298-M300 VanDerWaalsContact C-N 3.34Å; R298-M300 PolarHBondContact O-N 2.96Å; M300-A302 VanDerWaalsContact C-N 3.27Å; M300-A302 PolarHBondContact O-N 2.72Å; M300-I303 PolarHBondContact O-N 2.95Å; M300-Y304 WeakPolarHBondContact O-CD2 3.4Å; M300-Y304 PolarHBondContact O-N 2.91Å
301K89.6Confident88.1Confident56 Ų5630 Ų3024%0.24314%0.138CC..Hα-helixtrans-56.5-44.2177.1-174.6-178.7177.9-178.40110.9C58 V297 R298 Y304 H305C58-K301 HydrophobicContact CB-CB 3.95Å; C58-K301 HydrophobicContact CB-CG 4.35Å; V297-K301 WeakPolarHBondContact O-CB 3.46Å; V297-K301 PolarHBondContact O-N 3.22Å; R298-K301 PolarHBondContact O-N 3.29Å; K301-Y304 PolarHBondContact O-N 3.45Å; K301-H305 VanDerWaalsContact O-CB 3.32Å; K301-H305 WeakPolarHBondContact O-CB 3.04Å; K301-H305 PolarHBondContact O-N 3.27Å
302A88.9Confident87.9Confident11 Ų1129.9 Ų29.99%0.09114%0.143CC..Hα-helixtrans-62.5-41178.100000113.2R298 K299 M300 H305 T306 F826 F828 I831R298-A302 WeakPolarHBondContact O-CB 3.28Å; R298-A302 PolarHBondContact O-N 3.25Å; K299-A302 WeakPolarHBondContact O-CB 3.3Å; K299-A302 PolarHBondContact O-N 2.77Å; M300-A302 VanDerWaalsContact C-N 3.27Å; M300-A302 PolarHBondContact O-N 2.72Å; A302-H305 PolarHBondContact O-N 2.92Å; A302-T306 PolarHBondContact O-N 3.48Å; A302-T306 PolarHBondContact O-OG1 3.17Å; A302-F826 HydrophobicContact CB-CE2 3.95Å; A302-F826 HydrophobicContact CB-CZ 4.18Å; A302-F828 HydrophobicContact CB-CE1 4.32Å; A302-I831 HydrophobicContact CB-CD1 3.45Å; A302-I831 VanDerWaalsContact CB-CD1 3.45Å; A302-I831 HydrophobicContact CB-CG2 4.36Å
303I90.8Very high87.4Confident0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-65.8-46.5176.3-65.3159.7000110.7Y23 V26 V88 K299 M300 H305 T306 L307 F826 F828Y23-I303 HydrophobicContact CD2-CG2 3.61Å; Y23-I303 HydrophobicContact CE1-CD1 4.33Å; Y23-I303 HydrophobicContact CE2-CB 4.14Å; Y23-I303 HydrophobicContact CE2-CD1 4.33Å; Y23-I303 HydrophobicContact CE2-CG2 3.6Å; Y23-I303 HydrophobicContact CG-CG2 4.28Å; V26-I303 HydrophobicContact CB-CG2 4.13Å; V26-I303 HydrophobicContact CG1-CB 4.4Å; V26-I303 HydrophobicContact CG1-CG1 4.36Å; V26-I303 HydrophobicContact CG1-CG2 3.88Å; V88-I303 HydrophobicContact CB-CD1 4.5Å; V88-I303 HydrophobicContact CG1-CD1 3.48Å; V88-I303 VanDerWaalsContact CG1-CD1 3.48Å; V88-I303 HydrophobicContact CG2-CD1 4.28Å; K299-I303 WeakPolarHBondContact O-CD1 3.33Å; K299-I303 VanDerWaalsContact O-CG1 3.29Å; K299-I303 WeakPolarHBondContact O-CG1 3.47Å; K299-I303 PolarHBondContact O-N 3.01Å; M300-I303 PolarHBondContact O-N 2.95Å; I303-H305 VanDerWaalsContact C-N 3.3Å; I303-H305 PolarHBondContact O-N 2.99Å; I303-T306 WeakPolarHBondContact CA-OG1 3.42Å; I303-T306 PolarHBondContact O-N 3.12Å; I303-T306 PolarHBondContact O-OG1 3.38Å; I303-L307 HydrophobicContact CG2-CD1 3.9Å; I303-L307 HydrophobicContact CG2-CG 4.39Å; I303-L307 WeakPolarHBondContact O-CB 3.34Å; I303-L307 VanDerWaalsContact O-CG 3.27Å; I303-L307 WeakPolarHBondContact O-CG 3.34Å; I303-L307 PolarHBondContact O-N 2.89Å; I303-F826 HydrophobicContact CG1-CZ 4.5Å; I303-F828 HydrophobicContact CD1-CE1 4.31Å; I303-F828 HydrophobicContact CD1-CZ 3.9Å; I303-F828 HydrophobicContact CG1-CE1 4.04Å; I303-F828 HydrophobicContact CG1-CZ 3.86Å
304Y89.8Confident86.4Confident14 Ų1434.5 Ų34.56%0.05517%0.174CC..Hα-helixtrans-67.7-32.8178-70.3-60000112.7Y23 F51 E54 M94 M300 K301 L307 N308Y23-Y304 AromaticContact CD2-CE1 3.94Å; Y23-Y304 HydrophobicContact CD2-CE1 3.94Å; Y23-Y304 HydrophobicContact CE2-CD2 4.47Å; Y23-Y304 AromaticContact CE2-CE1 3.92Å; Y23-Y304 HydrophobicContact CE2-CE1 3.92Å; Y23-Y304 AromaticContact CE2-CE2 3.89Å; Y23-Y304 HydrophobicContact CE2-CE2 3.89Å; Y23-Y304 AromaticContact CE2-CZ 3.58Å; F51-Y304 HydrophobicContact CB-CD1 4.39Å; F51-Y304 HydrophobicContact CD1-CD1 4.23Å; E54-Y304 HydrophobicContact CB-CD1 3.88Å; E54-Y304 HydrophobicContact CB-CD2 4.01Å; E54-Y304 HydrophobicContact CB-CE1 3.99Å; E54-Y304 HydrophobicContact CB-CE2 4.11Å; E54-Y304 HydrophobicContact CB-CG 3.9Å; E54-Y304 HydrophobicContact CG-CD1 4.34Å; E54-Y304 HydrophobicContact CG-CE1 4.06Å; M94-Y304 HydrophobicContact SD-CE2 3.94Å; M300-Y304 WeakPolarHBondContact O-CD2 3.4Å; M300-Y304 PolarHBondContact O-N 2.91Å; K301-Y304 PolarHBondContact O-N 3.45Å; Y304-L307 HydrophobicContact CD1-CD1 4.08Å; Y304-N308 PolarHBondContact O-N 3.36Å; Y304-N308 VanDerWaalsContact O-N 3.12Å; Y304-N308 PolarHBondContact O-ND2 2.83Å
305H88.9Confident85.6Confident107 Ų10739.7 Ų39.750%0.49521%0.207SC..Hα-helixtrans-64.8-44.2172.5-172.671.8000111.7K301 A302 I303 N308 L309K301-H305 VanDerWaalsContact O-CB 3.32Å; K301-H305 WeakPolarHBondContact O-CB 3.04Å; K301-H305 PolarHBondContact O-N 3.27Å; A302-H305 PolarHBondContact O-N 2.92Å; I303-H305 VanDerWaalsContact C-N 3.3Å; I303-H305 PolarHBondContact O-N 2.99Å; H305-N308 WeakPolarHBondContact O-CB 3.38Å; H305-N308 PolarHBondContact O-N 2.99Å; H305-N308 VanDerWaalsContact O-N 3.16Å; H305-L309 WeakPolarHBondContact O-CD1 3.31Å
306T89.5Confident84.6Confident9 Ų944.9 Ų44.96%0.05523%0.231CC..Hα-helixtrans-67.4-36.9175.842.40000113.3V26 F37 A302 I303 N308 L309 C310 F826V26-T306 WeakPolarHBondContact CG1-OG1 3.41Å; F37-T306 HydrophobicContact CD2-CG2 4.04Å; F37-T306 HydrophobicContact CE2-CG2 4.34Å; A302-T306 PolarHBondContact O-N 3.48Å; A302-T306 PolarHBondContact O-OG1 3.17Å; I303-T306 WeakPolarHBondContact CA-OG1 3.42Å; I303-T306 PolarHBondContact O-N 3.12Å; I303-T306 PolarHBondContact O-OG1 3.38Å; T306-N308 PolarHBondContact O-N 2.87Å; T306-L309 WeakPolarHBondContact O-CB 3.43Å; T306-L309 PolarHBondContact O-N 2.84Å; T306-C310 PolarHBondContact O-SG 3.3Å; T306-F826 HydrophobicContact CG2-CD1 4.24Å; T306-F826 HydrophobicContact CG2-CD2 3.33Å; T306-F826 HydrophobicContact CG2-CE1 4.19Å; T306-F826 HydrophobicContact CG2-CE2 3.26Å; T306-F826 HydrophobicContact CG2-CG 3.83Å; T306-F826 HydrophobicContact CG2-CZ 3.72Å
307L89.1Confident84Confident5 Ų550 Ų503%0.02625%0.253CS..Hα-helixtrans-61.6-28.7172.1-72.3168.6000112.4A22 Y23 V26 F51 I303 Y304 L309 C310 L319A22-L307 HydrophobicContact CB-CD2 4.02Å; Y23-L307 HydrophobicContact CD2-CD1 4.36Å; V26-L307 HydrophobicContact CG2-CD2 3.91Å; V26-L307 HydrophobicContact CG2-CG 4.46Å; F51-L307 HydrophobicContact CD2-CB 3.76Å; F51-L307 HydrophobicContact CE2-CB 3.88Å; F51-L307 HydrophobicContact CG-CB 4.42Å; I303-L307 HydrophobicContact CG2-CD1 3.9Å; I303-L307 HydrophobicContact CG2-CG 4.39Å; I303-L307 WeakPolarHBondContact O-CB 3.34Å; I303-L307 VanDerWaalsContact O-CG 3.27Å; I303-L307 WeakPolarHBondContact O-CG 3.34Å; I303-L307 PolarHBondContact O-N 2.89Å; Y304-L307 HydrophobicContact CD1-CD1 4.08Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 3.47Å; L307-C310 WeakPolarHBondContact O-CB 3.38Å; L307-C310 PolarHBondContact O-N 3.24Å; L307-L319 HydrophobicContact CD2-CD1 3.8Å
308N88.8Confident83.8Confident11 Ų1151.2 Ų51.26%0.05926%0.261CS..THydrogen-bonded Turntrans-72.3-16.4173.8-81.2-36.9000114R49 F51 Y304 H305 T306 C310R49-N308 HydrophobicContact CB-CB 4.33Å; R49-N308 WeakPolarHBondContact CD-O 3.48Å; R49-N308 PolarHBondContact NH1-O 3.45Å; F51-N308 WeakPolarHBondContact CA-OD1 2.96Å; F51-N308 VanDerWaalsContact CB-OD1 3.27Å; F51-N308 WeakPolarHBondContact CB-OD1 3.44Å; F51-N308 PolarHBondContact N-OD1 3.43Å; Y304-N308 PolarHBondContact O-N 3.36Å; Y304-N308 VanDerWaalsContact O-N 3.12Å; Y304-N308 PolarHBondContact O-ND2 2.83Å; H305-N308 WeakPolarHBondContact O-CB 3.38Å; H305-N308 PolarHBondContact O-N 2.99Å; H305-N308 VanDerWaalsContact O-N 3.16Å; T306-N308 PolarHBondContact O-N 2.87Å; N308-C310 VanDerWaalsContact C-N 3.34Å
309L86.5Confident83.8Confident27 Ų2748.4 Ų48.414%0.14125%0.251CS..THydrogen-bonded Turntrans-82.3-16.9172.5-80.976.1000112.1F37 D39 L40 H305 T306 L307F37-L309 HydrophobicContact CB-CD2 4.2Å; D39-L309 HydrophobicContact CB-CD2 4.43Å; D39-L309 HydrophobicContact CB-CG 4.42Å; L40-L309 PolarHBondContact N-O 3.4Å; H305-L309 WeakPolarHBondContact O-CD1 3.31Å; T306-L309 WeakPolarHBondContact O-CB 3.43Å; T306-L309 PolarHBondContact O-N 2.84Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 3.47Å
310C87.6Confident83.9Confident3 Ų349.5 Ų49.52%0.0226%0.257CS..SBendtrans-77.6147.9-178.2-57.10000111.1N41 T306 L307 N308 L319 A321N41-C310 PolarHBondContact ND2-O 2.91Å; T306-C310 PolarHBondContact O-SG 3.3Å; L307-C310 WeakPolarHBondContact O-CB 3.38Å; L307-C310 PolarHBondContact O-N 3.24Å; N308-C310 VanDerWaalsContact C-N 3.34Å; C310-L319 HydrophobicContact CB-CB 4.5Å; C310-L319 HydrophobicContact CB-CD2 4.24Å; C310-A321 HydrophobicContact CB-CB 4.38Å
311N86.5Confident84Confident68 Ų6849.5 Ų49.536%0.36426%0.257SS..EExtended strand (participates in β ladder)trans-84.1145.3169.6-167.56.4000109.9L40 L319 I320L40-N311 HydrophobicContact CB-CB 3.92Å; L40-N311 HydrophobicContact CD2-CB 3.96Å; L40-N311 HydrophobicContact CG-CB 4.46Å; N311-L319 WeakPolarHBondContact O-CA 3.21Å; N311-I320 PolarHBondContact N-O 3.13Å; N311-I320 PolarHBondContact O-N 2.95Å
312I78.4Confident84Confident72 Ų7248 Ų4837%0.36925%0.251SS..EExtended strand (participates in β ladder)trans-106.8119.4179.1-59.2165.3000108K50 V314 L319K50-I312 HydrophobicContact CB-CD1 3.46Å; K50-I312 VanDerWaalsContact CB-CD1 3.46Å; K50-I312 HydrophobicContact CG-CD1 3.89Å; I312-V314 PolarHBondContact O-N 3.32Å; I312-L319 HydrophobicContact CB-CD2 4.34Å; I312-L319 HydrophobicContact CD1-CD2 4.48Å; I312-L319 HydrophobicContact CG1-CD2 3.47Å; I312-L319 VanDerWaalsContact CG1-CD2 3.47Å
313D76.2Confident84.2Confident46 Ų4647.5 Ų47.525%0.24625%0.246CC..EExtended strand (participates in β ladder)trans-84.5113.2167.2-173.3-2.1000109.7T315 K317 C318 I320D313-T315 VanDerWaalsContact CG-OG1 3.28Å; D313-T315 PolarHBondContact O-N 3.17Å; D313-T315 PolarHBondContact OD1-N 3.4Å; D313-T315 PolarHBondContact OD1-OG1 3.07Å; D313-T315 PolarHBondContact OD2-OG1 2.67Å; D313-K317 PolarHBondContact O-N 2.95Å; D313-K317 VanDerWaalsContact O-N 3.16Å; D313-C318 PolarHBondContact N-O 3.22Å; D313-I320 HydrophobicContact CB-CD1 4.31Å
314V68.6Low84.3Confident132 Ų13248.5 Ų48.580%0.825%0.25SS*.THydrogen-bonded Turntrans-65.5-27.2-179.6-172.90000111.2I312I312-V314 PolarHBondContact O-N 3.32Å
315T69.4Low84.3Confident119 Ų11947.8 Ų47.873%0.7325%0.248SC*.THydrogen-bonded Turntrans-79.6-41.1-174.367.10000112.5D313D313-T315 VanDerWaalsContact CG-OG1 3.28Å; D313-T315 PolarHBondContact O-N 3.17Å; D313-T315 PolarHBondContact OD1-N 3.4Å; D313-T315 PolarHBondContact OD1-OG1 3.07Å; D313-T315 PolarHBondContact OD2-OG1 2.67Å
316Q64.9Low84.5Confident134 Ų13442.7 Ų42.763%0.62622%0.224SC*.THydrogen-bonded Turntrans-102.8-3.5-175.6-62.5-154.3-10.400114.8C318Q316-C318 HydrophobicContact CB-CB 4.21Å; Q316-C318 PolarHBondContact O-N 3.31Å; Q316-C318 PolarHBondContact O-SG 3.15Å; Q316-C318 VanDerWaalsContact O-SG 3.42Å
317K76.9Confident84.4Confident164 Ų16444.6 Ų44.671%0.71324%0.235SC*.THydrogen-bonded Turntrans51.935.1-171.3-59.7-178.1178178.20112.1S19 D313S19-K317 PolarHBondContact N-O 3.11Å; D313-K317 PolarHBondContact O-N 2.95Å; D313-K317 VanDerWaalsContact O-N 3.16Å
318C84.7Confident84.3Confident25 Ų2547.5 Ų47.517%0.16926%0.256CS..EExtended strand (participates in β ladder)trans-110.9145.8178-70.50000109.3L17 D313 Q316L17-C318 CarbonylContact O-C 3.59Å; L17-C318 WeakPolarHBondContact O-CA 3.11Å; D313-C318 PolarHBondContact N-O 3.22Å; Q316-C318 HydrophobicContact CB-CB 4.21Å; Q316-C318 PolarHBondContact O-N 3.31Å; Q316-C318 PolarHBondContact O-SG 3.15Å; Q316-C318 VanDerWaalsContact O-SG 3.42Å
319L87.6Confident84.2Confident8 Ų848.8 Ų48.84%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-94.4129.7169.7-69.7167.3000108.5L17 A22 L307 C310 N311 I312L17-L319 HydrophobicContact CB-CB 4.25Å; L17-L319 PolarHBondContact N-O 3.45Å; L17-L319 PolarHBondContact O-N 3.21Å; A22-L319 HydrophobicContact CB-CD1 3.5Å; A22-L319 VanDerWaalsContact CB-CD1 3.5Å; L307-L319 HydrophobicContact CD2-CD1 3.8Å; C310-L319 HydrophobicContact CB-CB 4.5Å; C310-L319 HydrophobicContact CB-CD2 4.24Å; N311-L319 WeakPolarHBondContact O-CA 3.21Å; I312-L319 HydrophobicContact CB-CD2 4.34Å; I312-L319 HydrophobicContact CD1-CD2 4.48Å; I312-L319 HydrophobicContact CG1-CD2 3.47Å; I312-L319 VanDerWaalsContact CG1-CD2 3.47Å
320I90.3Very high84.1Confident28 Ų2848.4 Ų48.414%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-105.6123.8174.4-56.5177000107Q14 L15 F16 N311 D313Q14-I320 HydrophobicContact CG-CG2 3.82Å; Q14-I320 VanDerWaalsContact NE2-CG2 3.34Å; L15-I320 WeakPolarHBondContact O-CA 3.18Å; F16-I320 HydrophobicContact CD1-CD1 4.48Å; F16-I320 HydrophobicContact CD1-CG1 3.98Å; F16-I320 HydrophobicContact CE1-CD1 3.93Å; F16-I320 HydrophobicContact CE1-CG1 3.87Å; F16-I320 HydrophobicContact CE1-CG2 4.5Å; N311-I320 PolarHBondContact N-O 3.13Å; N311-I320 PolarHBondContact O-N 2.95Å; D313-I320 HydrophobicContact CB-CD1 4.31Å
321A90.2Very high84.2Confident1 Ų153.9 Ų53.91%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-125.4140.7174.400000110.2Q14 L15 F37 C310Q14-A321 CarbonylContact C-O 3.57Å; Q14-A321 WeakPolarHBondContact CA-O 3.44Å; L15-A321 HydrophobicContact CB-CB 4.19Å; L15-A321 HydrophobicContact CD1-CB 4.45Å; L15-A321 PolarHBondContact N-O 3.43Å; L15-A321 PolarHBondContact O-N 3.21Å; F37-A321 HydrophobicContact CD1-CB 4.07Å; F37-A321 HydrophobicContact CE1-CB 3.96Å; C310-A321 HydrophobicContact CB-CB 4.38Å
322E91.5Very high84.4Confident23 Ų2352.9 Ų52.911%0.10729%0.288CS..EExtended strand (participates in β ladder)trans-105.3125.6170.4-74.3-174.6-13300108.3L12 Q14 R38 L40L12-E322 HydrophobicContact CD1-CB 4.25Å; Q14-E322 HydrophobicContact CG-CG 4.47Å; R38-E322 HydrophobicContact CB-CB 4.39Å; R38-E322 IonicContact CZ-OE1 2.81Å; R38-E322 IonicContact CZ-OE2 3.91Å; R38-E322 PolarHBondContact N-O 2.91Å; R38-E322 IonicContact NE-OE2 3.96Å; R38-E322 IonicContact NH1-OE2 2.76Å; R38-E322 PolarHBondContact NH1-OE2 2.92Å; R38-E322 IonicContact NH2-OE1 2.95Å; R38-E322 PolarHBondContact NH2-OE1 3.38Å; R38-E322 IonicContact NH2-OE2 2.68Å; R38-E322 PolarHBondContact NH2-OE2 3.04Å; L40-E322 HydrophobicContact CD1-CB 4.16Å; L40-E322 HydrophobicContact CD1-CG 4.47Å; L40-E322 HydrophobicContact CD2-CG 4.2Å
323V92.1Very high84.9Confident1 Ų149.5 Ų49.51%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-127.9138.4-176.5-63.90000110.9A13 L15 V35 Q36 F37A13-V323 HydrophobicContact CB-CG2 4.18Å; A13-V323 PolarHBondContact N-O 2.98Å; A13-V323 WeakPolarHBondContact O-CG2 3.29Å; A13-V323 PolarHBondContact O-N 3.1Å; L15-V323 HydrophobicContact CD1-CB 4.38Å; L15-V323 HydrophobicContact CD1-CG1 3.64Å; L15-V323 HydrophobicContact CD1-CG2 3.75Å; L15-V323 HydrophobicContact CG-CG2 3.99Å; V35-V323 HydrophobicContact CB-CB 4.23Å; V35-V323 HydrophobicContact CB-CG1 4.36Å; V35-V323 HydrophobicContact CG1-CG2 4.42Å; Q36-V323 CarbonylContact O-C 3.57Å; Q36-V323 VanDerWaalsContact O-CA 3.28Å; Q36-V323 WeakPolarHBondContact O-CA 3.41Å; F37-V323 HydrophobicContact CD1-CG1 3.6Å; F37-V323 HydrophobicContact CE1-CG1 3.71Å; F37-V323 HydrophobicContact CG-CG1 4.04Å; F37-V323 HydrophobicContact CZ-CG1 4.24Å
324W92.7Very high85.5Confident21 Ų2150.1 Ų50.18%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-83.2126.2162.4-68.5107.5000108.9M10 L12 V35 Q36 T357 Q359 P361 P362 F823M10-W324 HydrophobicContact CB-CE3 4.2Å; L12-W324 HydrophobicContact CB-CE3 4.03Å; L12-W324 HydrophobicContact CB-CH2 3.95Å; L12-W324 HydrophobicContact CB-CZ2 4.45Å; L12-W324 HydrophobicContact CB-CZ3 3.7Å; L12-W324 HydrophobicContact CD1-CD2 4.03Å; L12-W324 HydrophobicContact CD1-CE3 4.35Å; L12-W324 HydrophobicContact CD1-CH2 4.45Å; L12-W324 HydrophobicContact CD1-CZ2 4.12Å; V35-W324 WeakPolarHBondContact CA-O 3.4Å; Q36-W324 HydrophobicContact CB-CB 4.33Å; Q36-W324 PolarHBondContact N-O 3.09Å; Q36-W324 PolarHBondContact O-N 3.21Å; W324-T357 HydrophobicContact CH2-CG2 3.72Å; W324-T357 HydrophobicContact CZ2-CG2 4.46Å; W324-T357 HydrophobicContact CZ3-CG2 4.45Å; W324-Q359 HydrophobicContact CZ2-CB 4.46Å; W324-P361 HydrophobicContact CE3-CB 3.95Å; W324-P361 HydrophobicContact CH2-CB 3.86Å; W324-P361 HydrophobicContact CH2-CG 3.83Å; W324-P361 HydrophobicContact CZ3-CB 3.54Å; W324-P361 HydrophobicContact CZ3-CG 3.7Å; W324-P362 HydrophobicContact CB-CG 3.85Å; W324-P362 VanDerWaalsContact CD2-CD 3.48Å; W324-P362 HydrophobicContact CD2-CG 4.24Å; W324-P362 HydrophobicContact CG-CG 3.78Å; W324-F823 HydrophobicContact CB-CE2 4.32Å
325C91Very high86.5Confident0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-137.6149.7173.662.30000111.6T11 V35 I333T11-C325 PolarHBondContact N-O 3.42Å; T11-C325 PolarHBondContact O-N 3.21Å; V35-C325 HydrophobicContact CG1-CB 4.3Å; C325-I333 HydrophobicContact CB-CD1 3.46Å; C325-I333 VanDerWaalsContact CB-CD1 3.46Å
326P91.1Very high87.3Confident0 Ų044.7 Ų44.70%023%0.228CC..EExtended strand (participates in β ladder)trans-69.2137.4174.826.8-31.8000110.4E9 M10 M34 S328 D329E9-P326 CarbonylContact O-C 3.55Å; E9-P326 WeakPolarHBondContact O-CA 3.4Å; M10-P326 HydrophobicContact CE-CB 4.29Å; M10-P326 HydrophobicContact SD-CB 4.28Å; M34-P326 WeakPolarHBondContact O-CD 3.48Å; P326-S328 PolarHBondContact O-N 3.2Å; P326-D329 HydrophobicContact CG-CB 4.07Å; P326-D329 PolarHBondContact O-N 3.35Å
327V88.9Confident88.5Confident48 Ų4838.5 Ų38.529%0.29120%0.199SC..G310 helixtrans-60.9-34.9-178.8176.50000111.3E9 T11 D329E9-V327 HydrophobicContact CB-CB 4.33Å; E9-V327 HydrophobicContact CB-CG2 4.08Å; E9-V327 PolarHBondContact O-N 3.15Å; T11-V327 HydrophobicContact CG2-CG2 4Å; V327-D329 VanDerWaalsContact C-N 3.32Å; V327-D329 PolarHBondContact O-N 2.99Å
328S86.9Confident89Confident66 Ų6638 Ų3846%0.46219%0.193SC..G310 helixtrans-62.9-34-179.5-55.50000113.4P326P326-S328 PolarHBondContact O-N 3.2Å
329D85.3Confident89.2Confident38 Ų3841.5 Ų41.520%0.20320%0.202CC..G310 helixtrans-107.213.2-171.4-54.4-51.8000113.3M34 P326 V327 D331 S332 I333M34-D329 VanDerWaalsContact CE-OD2 3.32Å; M34-D329 WeakPolarHBondContact CE-OD2 3.24Å; P326-D329 HydrophobicContact CG-CB 4.07Å; P326-D329 PolarHBondContact O-N 3.35Å; V327-D329 VanDerWaalsContact C-N 3.32Å; V327-D329 PolarHBondContact O-N 2.99Å; D329-D331 VanDerWaalsContact C-N 3.27Å; D329-D331 PolarHBondContact O-N 3.42Å; D329-S332 WeakPolarHBondContact O-CB 3.27Å; D329-S332 PolarHBondContact O-N 3.32Å; D329-S332 VanDerWaalsContact O-N 3.11Å; D329-S332 PolarHBondContact O-OG 3.23Å; D329-I333 PolarHBondContact O-N 3.4Å
330M85.9Confident89.2Confident20 Ų2041.1 Ų41.110%0.09920%0.2CC..Hα-helixtrans-59.1-37.4-177.7-169.7-17268.100113.1S332 I333 Q334 L352 R354M330-S332 VanDerWaalsContact C-N 3.28Å; M330-S332 PolarHBondContact O-N 3.31Å; M330-I333 PolarHBondContact O-N 2.98Å; M330-Q334 PolarHBondContact O-N 2.92Å; M330-L352 HydrophobicContact CG-CD2 3.51Å; M330-L352 HydrophobicContact SD-CD2 3.96Å; M330-R354 HydrophobicContact SD-CG 4.26Å; M330-R354 PolarHBondContact SD-NE 3.41Å; M330-R354 PolarHBondContact SD-NH2 3.35Å
331D89.3Confident89.1Confident117 Ų11740.2 Ų40.263%0.62620%0.196SC*.Hα-helixtrans-65.1-34.9180-64.4-26000111.5D329 I333 Q334 F335D329-D331 VanDerWaalsContact C-N 3.27Å; D329-D331 PolarHBondContact O-N 3.42Å; D331-I333 VanDerWaalsContact C-N 3.35Å; D331-Q334 PolarHBondContact O-N 3.34Å; D331-F335 PolarHBondContact O-N 3.48Å
332S89.8Confident89Confident47 Ų4747.2 Ų47.233%0.32923%0.229SC..Hα-helixtrans-65.4-39.4175.678.50000111.8D329 M330 F335 A336D329-S332 WeakPolarHBondContact O-CB 3.27Å; D329-S332 PolarHBondContact O-N 3.32Å; D329-S332 VanDerWaalsContact O-N 3.11Å; D329-S332 PolarHBondContact O-OG 3.23Å; M330-S332 VanDerWaalsContact C-N 3.28Å; M330-S332 PolarHBondContact O-N 3.31Å; S332-F335 PolarHBondContact O-N 3.32Å; S332-A336 PolarHBondContact O-N 3.35Å
333I89.1Confident88.7Confident1 Ų149.9 Ų49.91%0.00524%0.24CC..Hα-helixtrans-66.5-43.9177.4-65168.8000110L29 V35 C325 D329 M330 D331 F335 A336 L337L29-I333 HydrophobicContact CD2-CG2 3.74Å; V35-I333 HydrophobicContact CG1-CD1 3.74Å; V35-I333 HydrophobicContact CG1-CG1 4.26Å; V35-I333 HydrophobicContact CG1-CG2 4.3Å; C325-I333 HydrophobicContact CB-CD1 3.46Å; C325-I333 VanDerWaalsContact CB-CD1 3.46Å; D329-I333 PolarHBondContact O-N 3.4Å; M330-I333 PolarHBondContact O-N 2.98Å; D331-I333 VanDerWaalsContact C-N 3.35Å; I333-F335 VanDerWaalsContact C-N 3.31Å; I333-F335 PolarHBondContact O-N 3.21Å; I333-A336 PolarHBondContact O-N 3.38Å; I333-L337 HydrophobicContact CG2-CD1 4.09Å; I333-L337 HydrophobicContact CG2-CG 4.49Å; I333-L337 WeakPolarHBondContact O-CB 3.22Å; I333-L337 VanDerWaalsContact O-CG 3.3Å; I333-L337 WeakPolarHBondContact O-CG 3.28Å; I333-L337 PolarHBondContact O-N 2.87Å
334Q88.4Confident88.2Confident59 Ų5951.5 Ų51.528%0.27625%0.251SS..Hα-helixtrans-61.7-38.6175.3-70.8-171.5500112.5M330 D331 L337 R338 L352M330-Q334 PolarHBondContact O-N 2.92Å; D331-Q334 PolarHBondContact O-N 3.34Å; Q334-L337 PolarHBondContact O-N 3.41Å; Q334-R338 WeakPolarHBondContact O-CG 3.36Å; Q334-R338 PolarHBondContact O-N 3.47Å; Q334-L352 HydrophobicContact CG-CB 4.47Å; Q334-L352 HydrophobicContact CG-CD2 3.79Å
335F89.9Confident87.8Confident137 Ų13753.5 Ų53.560%0.60128%0.279SS*.Hα-helixtrans-65.5-43.2176.7-172.8-96.8000112.1D331 S332 I333 R338 R339D331-F335 PolarHBondContact O-N 3.48Å; S332-F335 PolarHBondContact O-N 3.32Å; I333-F335 VanDerWaalsContact C-N 3.31Å; I333-F335 PolarHBondContact O-N 3.21Å; F335-R338 PolarHBondContact O-N 3.33Å; F335-R339 PolarHBondContact O-N 3.46Å
336A87.5Confident87.4Confident1 Ų154.3 Ų54.31%0.00829%0.285CS..Hα-helixtrans-63.4-40.817400000113.1E28 I32 S332 I333 R338 R339 G340E28-A336 HydrophobicContact CB-CB 4.21Å; I32-A336 HydrophobicContact CD1-CB 3.32Å; I32-A336 HydrophobicContact CG1-CB 4.19Å; S332-A336 PolarHBondContact O-N 3.35Å; I333-A336 PolarHBondContact O-N 3.38Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.48Å; A336-R339 PolarHBondContact O-N 2.87Å; A336-G340 PolarHBondContact O-N 2.97Å
337L88.9Confident86.8Confident3 Ų360.8 Ų60.82%0.01632%0.324CS..Hα-helixtrans-59.8-44.2175.9-79.3173.9000111.7L15 L17 C25 L29 I333 Q334 G340 T341 S350 L352L15-L337 HydrophobicContact CD2-CD1 3.52Å; L15-L337 HydrophobicContact CD2-CD2 4.23Å; L15-L337 HydrophobicContact CD2-CG 4.5Å; L17-L337 HydrophobicContact CD2-CD2 3.96Å; C25-L337 HydrophobicContact CB-CD2 4.06Å; L29-L337 HydrophobicContact CD1-CD2 4.02Å; L29-L337 HydrophobicContact CD2-CD2 4.3Å; L29-L337 HydrophobicContact CD2-CG 4.31Å; L29-L337 HydrophobicContact CG-CD2 4.25Å; I333-L337 HydrophobicContact CG2-CD1 4.09Å; I333-L337 HydrophobicContact CG2-CG 4.49Å; I333-L337 WeakPolarHBondContact O-CB 3.22Å; I333-L337 VanDerWaalsContact O-CG 3.3Å; I333-L337 WeakPolarHBondContact O-CG 3.28Å; I333-L337 PolarHBondContact O-N 2.87Å; Q334-L337 PolarHBondContact O-N 3.41Å; L337-G340 PolarHBondContact O-N 3.24Å; L337-T341 PolarHBondContact O-N 3.39Å; L337-T341 PolarHBondContact O-OG1 3.1Å; L337-T341 VanDerWaalsContact O-OG1 3.09Å; L337-S350 WeakPolarHBondContact CB-OG 3.12Å; L337-S350 PolarHBondContact O-OG 3.42Å; L337-L352 HydrophobicContact CD1-CB 4.36Å
338R88.7Confident86.4Confident154 Ų15462.2 Ų62.258%0.58133%0.333SS*.Hα-helixtrans-62-46.2174.1-71179-170.9177.26.1111.9Q334 F335 A336 G340 T341 E342Q334-R338 WeakPolarHBondContact O-CG 3.36Å; Q334-R338 PolarHBondContact O-N 3.47Å; F335-R338 PolarHBondContact O-N 3.33Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.48Å; R338-G340 VanDerWaalsContact C-N 3.33Å; R338-G340 PolarHBondContact O-N 3.1Å; R338-T341 PolarHBondContact O-N 3.06Å; R338-E342 WeakPolarHBondContact O-CG 3.35Å; R338-E342 PolarHBondContact O-N 3.18Å
339R88.9Confident86Confident98 Ų9863.3 Ų63.337%0.3734%0.338SS..Hα-helixtrans-59.6-42176.6-176.217074.4-167.6-0.3112.2E28 F335 A336 E342 K343E28-R339 VanDerWaalsContact CD-NE 3.32Å; E28-R339 IonicContact OE1-NE 3.58Å; E28-R339 PolarHBondContact OE1-NE 3.13Å; E28-R339 IonicContact OE2-CZ 3.88Å; E28-R339 IonicContact OE2-NE 2.89Å; E28-R339 PolarHBondContact OE2-NE 3.49Å; E28-R339 IonicContact OE2-NH2 3.83Å; E28-R339 PolarHBondContact OE2-NH2 3.26Å; F335-R339 PolarHBondContact O-N 3.46Å; A336-R339 PolarHBondContact O-N 2.87Å; R339-E342 PolarHBondContact O-N 3.32Å; R339-K343 WeakPolarHBondContact O-CG 3.3Å; R339-K343 PolarHBondContact O-N 3.37Å
340G86.3Confident85.9Confident0 Ų062.5 Ų62.50%034%0.336CS..Hα-helixtrans-64.4-41.5177.100000112.4C24 A336 L337 R338 K343 S344C24-G340 WeakPolarHBondContact CB-O 3.41Å; A336-G340 PolarHBondContact O-N 2.97Å; L337-G340 PolarHBondContact O-N 3.24Å; R338-G340 VanDerWaalsContact C-N 3.33Å; R338-G340 PolarHBondContact O-N 3.1Å; G340-K343 PolarHBondContact O-N 2.89Å; G340-S344 PolarHBondContact O-N 3.08Å
341T88.8Confident85.9Confident9 Ų966.4 Ų66.46%0.05536%0.356CS..Hα-helixtrans-62.8-45.9173.5-60.90000111.5L337 R338 K343 S344 G345 S346 V348 S350L337-T341 PolarHBondContact O-N 3.39Å; L337-T341 PolarHBondContact O-OG1 3.1Å; L337-T341 VanDerWaalsContact O-OG1 3.09Å; R338-T341 PolarHBondContact O-N 3.06Å; T341-K343 PolarHBondContact O-N 3.17Å; T341-S344 PolarHBondContact O-N 3.12Å; T341-S344 VanDerWaalsContact O-N 3.16Å; T341-S344 PolarHBondContact O-OG 3.04Å; T341-G345 PolarHBondContact O-N 3.15Å; T341-S346 WeakPolarHBondContact CG2-O 3.42Å; T341-V348 WeakPolarHBondContact CG2-O 3.4Å; T341-S350 PolarHBondContact OG1-OG 2.61Å
342E87.8Confident85.8Confident148 Ų14862 Ų6269%0.69233%0.332SS*.Hα-helixtrans-60.1-42.9177.3-73.7173.5-174.100112.5R338 R339 S344 G345R338-E342 WeakPolarHBondContact O-CG 3.35Å; R338-E342 PolarHBondContact O-N 3.18Å; R339-E342 PolarHBondContact O-N 3.32Å; E342-S344 VanDerWaalsContact C-N 3.27Å; E342-S344 PolarHBondContact O-N 3.41Å; E342-G345 PolarHBondContact O-N 2.76Å; E342-G345 VanDerWaalsContact O-N 3.1Å
343K84.9Confident85.8Confident79 Ų7963.5 Ų63.534%0.34334%0.337SS..Hα-helixtrans-61.8-33.9176.3-78.9-174.8176.8-179.30113.3E28 E87 R339 G340 T341 G345E28-K343 WeakPolarHBondContact OE1-CD 3.33Å; E28-K343 VanDerWaalsContact OE1-CE 3.26Å; E28-K343 WeakPolarHBondContact OE1-CE 3.48Å; E28-K343 IonicContact OE1-NZ 2.64Å; E28-K343 PolarHBondContact OE1-NZ 3.29Å; E87-K343 IonicContact OE1-NZ 3.52Å; E87-K343 PolarHBondContact OE1-NZ 2.97Å; R339-K343 WeakPolarHBondContact O-CG 3.3Å; R339-K343 PolarHBondContact O-N 3.37Å; G340-K343 PolarHBondContact O-N 2.89Å; T341-K343 PolarHBondContact O-N 3.17Å; K343-G345 VanDerWaalsContact C-N 3.25Å; K343-G345 PolarHBondContact O-N 3.26Å
344S82.8Confident85.7Confident35 Ų3569.6 Ų69.625%0.24536%0.359CS..Hα-helixtrans-74.9-14.3177.671.40000113.7A21 G340 T341 E342 S346A21-S344 WeakPolarHBondContact CB-OG 3.26Å; G340-S344 PolarHBondContact O-N 3.08Å; T341-S344 PolarHBondContact O-N 3.12Å; T341-S344 VanDerWaalsContact O-N 3.16Å; T341-S344 PolarHBondContact O-OG 3.04Å; E342-S344 VanDerWaalsContact C-N 3.27Å; E342-S344 PolarHBondContact O-N 3.41Å; S344-S346 PolarHBondContact O-N 3.22Å; S344-S346 PolarHBondContact OG-N 3.41Å
345G82.6Confident85.6Confident63 Ų6370.2 Ų70.265%0.64936%0.363SS*.THydrogen-bonded Turntrans74.17.5-174.100000114.3T341 E342 K343T341-G345 PolarHBondContact O-N 3.15Å; E342-G345 PolarHBondContact O-N 2.76Å; E342-G345 VanDerWaalsContact O-N 3.1Å; K343-G345 VanDerWaalsContact C-N 3.25Å; K343-G345 PolarHBondContact O-N 3.26Å
346S82.7Confident85.1Confident18 Ų1873.3 Ų73.313%0.12638%0.38CS..  trans-76.2139.4173.5179.40000111.1Q18 T341 S344 V348Q18-S346 PolarHBondContact OE1-OG 3.28Å; T341-S346 WeakPolarHBondContact CG2-O 3.42Å; S344-S346 PolarHBondContact O-N 3.22Å; S344-S346 PolarHBondContact OG-N 3.41Å; S346-V348 PolarHBondContact OG-N 3.26Å
347T80.1Confident84.9Confident136 Ų13675.7 Ų75.783%0.83439%0.394SS*.  trans-86.7-11.3175.356.70000113P349T347-P349 WeakPolarHBondContact O-CD 3.41Å
348V80.3Confident84.5Confident78 Ų7885.2 Ų85.247%0.47344%0.435SS..SBendtrans-87.6116.1-176.8-178.20000109.2T341 S346T341-V348 WeakPolarHBondContact CG2-O 3.4Å; S346-V348 PolarHBondContact OG-N 3.26Å
349P78.8Confident84.3Confident88 Ų8882.5 Ų82.557%0.57143%0.429SS*.PPolyproline II helixtrans-67.5139.9178.728.5-33.7000110.2T347T347-P349 WeakPolarHBondContact O-CD 3.41Å
350S82.9Confident84Confident22 Ų2282.6 Ų82.615%0.15444%0.441CS..PPolyproline II helixtrans-69.1136.416840.70000110.2L337 T341L337-S350 WeakPolarHBondContact CB-OG 3.12Å; L337-S350 PolarHBondContact O-OG 3.42Å; T341-S350 PolarHBondContact OG1-OG 2.61Å
351I85.9Confident84.2Confident102 Ų10283.5 Ų83.552%0.52345%0.447SS..EExtended strand (participates in β ladder)trans-105.7129.7-175.5-56.4170.9000108.7F16F16-I351 HydrophobicContact CB-CB 4.34Å; F16-I351 HydrophobicContact CD2-CB 4.33Å; F16-I351 PolarHBondContact N-O 3.35Å; F16-I351 PolarHBondContact O-N 2.91Å
352L87.3Confident84.3Confident25 Ų2583.3 Ų83.313%0.13145%0.446CS..EExtended strand (participates in β ladder)trans-108.1106.5171.4-177.677.7000108.4A13 L15 M330 Q334 L337A13-L352 HydrophobicContact CB-CD1 3.53Å; A13-L352 HydrophobicContact CB-CG 4.13Å; L15-L352 HydrophobicContact CD2-CB 4.4Å; L15-L352 HydrophobicContact CD2-CD1 3.33Å; L15-L352 HydrophobicContact CD2-CG 4.47Å; L15-L352 HydrophobicContact CG-CD1 4.03Å; M330-L352 HydrophobicContact CG-CD2 3.51Å; M330-L352 HydrophobicContact SD-CD2 3.96Å; Q334-L352 HydrophobicContact CG-CB 4.47Å; Q334-L352 HydrophobicContact CG-CD2 3.79Å; L337-L352 HydrophobicContact CD1-CB 4.36Å
353N88.5Confident84.3Confident78 Ų7876.9 Ų76.942%0.41742%0.416SS..EExtended strand (participates in β ladder)trans-98.3138.8176.2-172.825.6000110.6A13 Q14A13-N353 CarbonylContact C-O 3.47Å; A13-N353 WeakPolarHBondContact CA-O 3.33Å; Q14-N353 HydrophobicContact CB-CB 4.42Å; Q14-N353 PolarHBondContact N-O 2.82Å; Q14-N353 PolarHBondContact O-N 2.91Å
354R87.5Confident84.5Confident128 Ų12875.2 Ų75.248%0.48341%0.409SS..EExtended strand (participates in β ladder)trans-88.5127.9174.4-71.6-179.4175-173-5.2109.4M330M330-R354 HydrophobicContact SD-CG 4.26Å; M330-R354 PolarHBondContact SD-NE 3.41Å; M330-R354 PolarHBondContact SD-NH2 3.35Å
355M85.7Confident84.7Confident72 Ų7274.7 Ų74.736%0.35540%0.403SS..EExtended strand (participates in β ladder)trans-106.4139.6174.7-72.4-166.364.300111.1L12 Q14L12-M355 HydrophobicContact CD2-CB 4.38Å; L12-M355 HydrophobicContact CG-CB 4.5Å; L12-M355 PolarHBondContact O-N 3.3Å; Q14-M355 HydrophobicContact CB-CG 4.26Å; Q14-M355 HydrophobicContact CB-SD 4.05Å
356Q80.3Confident84.7Confident203 Ų20374 Ų7495%0.94938%0.382SS*.  trans-96.2111.2170.8-159.1166.811.300108.2
357T83.6Confident84.7Confident51 Ų5176.5 Ų76.531%0.31340%0.397SS..  trans-117.9154.7179.4-176.50000110.7L12 W324 Q359L12-T357 HydrophobicContact CB-CG2 3.89Å; L12-T357 HydrophobicContact CD2-CG2 3.64Å; L12-T357 HydrophobicContact CG-CG2 4.41Å; W324-T357 HydrophobicContact CH2-CG2 3.72Å; W324-T357 HydrophobicContact CZ2-CG2 4.46Å; W324-T357 HydrophobicContact CZ3-CG2 4.45Å; T357-Q359 HydrophobicContact CG2-CB 4.2Å; T357-Q359 WeakPolarHBondContact OG1-CG 3.14Å; T357-Q359 PolarHBondContact OG1-N 3.03Å; T357-Q359 VanDerWaalsContact OG1-N 3.14Å
358K80.4Confident85Confident202 Ų20275.6 Ų75.688%0.87839%0.387SS*.  trans-90.3-4.4170.2-64.6-178.3-177.1174.20112.7
359Q83.8Confident85.1Confident98 Ų9879 Ų7946%0.45840%0.395SS..SBendtrans-65.1147.2177.1-68.5176.1-1.900111.3R38 W324 T357 P361R38-Q359 VanDerWaalsContact NH1-OE1 3.1Å; W324-Q359 HydrophobicContact CZ2-CB 4.46Å; T357-Q359 HydrophobicContact CG2-CB 4.2Å; T357-Q359 WeakPolarHBondContact OG1-CG 3.14Å; T357-Q359 PolarHBondContact OG1-N 3.03Å; T357-Q359 VanDerWaalsContact OG1-N 3.14Å; Q359-P361 VanDerWaalsContact O-CD 3.28Å; Q359-P361 WeakPolarHBondContact O-CD 3.35Å
360T84.1Confident85.5Confident99 Ų9978.6 Ų78.661%0.60738%0.384SS*.PPolyproline II helixtrans-72.5118.2177.650.80000110.6
361P88.9Confident85.7Confident20 Ų2078.2 Ų78.213%0.1338%0.382CS..PPolyproline II helixtrans-69.5157.7177.7-1832.4000112.5M10 W324 Q359 Y386M10-P361 HydrophobicContact CB-CB 3.67Å; M10-P361 HydrophobicContact CG-CB 4.41Å; W324-P361 HydrophobicContact CE3-CB 3.95Å; W324-P361 HydrophobicContact CH2-CB 3.86Å; W324-P361 HydrophobicContact CH2-CG 3.83Å; W324-P361 HydrophobicContact CZ3-CB 3.54Å; W324-P361 HydrophobicContact CZ3-CG 3.7Å; Q359-P361 VanDerWaalsContact O-CD 3.28Å; Q359-P361 WeakPolarHBondContact O-CD 3.35Å; P361-Y386 HydrophobicContact CB-CD1 4.5Å; P361-Y386 HydrophobicContact CB-CD2 3.86Å; P361-Y386 HydrophobicContact CB-CE1 4.45Å; P361-Y386 HydrophobicContact CB-CE2 3.85Å; P361-Y386 HydrophobicContact CB-CG 4.2Å; P361-Y386 HydrophobicContact CG-CD1 4Å; P361-Y386 HydrophobicContact CG-CD2 4.24Å; P361-Y386 HydrophobicContact CG-CE1 3.86Å; P361-Y386 HydrophobicContact CG-CE2 4.14Å; P361-Y386 HydrophobicContact CG-CG 4.18Å
362P90.6Very high85.7Confident5 Ų575.2 Ų75.23%0.03237%0.369CS..PPolyproline II helixtrans-69.1151.9170.930.2-34.7000111.7M10 W324 F821 F823M10-P362 WeakPolarHBondContact CG-O 3.26Å; W324-P362 HydrophobicContact CB-CG 3.85Å; W324-P362 VanDerWaalsContact CD2-CD 3.48Å; W324-P362 HydrophobicContact CD2-CG 4.24Å; W324-P362 HydrophobicContact CG-CG 3.78Å; P362-F821 CarbonylContact C-O 3.58Å; P362-F821 WeakPolarHBondContact CA-O 3.43Å; P362-F823 HydrophobicContact CB-CB 4.11Å; P362-F823 HydrophobicContact CB-CD2 4.19Å; P362-F823 HydrophobicContact CG-CD2 3.75Å
363T89.6Confident85.7Confident12 Ų1274.5 Ų74.57%0.07437%0.368CS..BIsolated β-bridgetrans-91122.4179.7-61.20000109.8G384 F821 F823T363-G384 WeakPolarHBondContact CB-O 3.38Å; T363-G384 WeakPolarHBondContact CG2-O 3.49Å; T363-G384 PolarHBondContact OG1-O 2.88Å; T363-F821 PolarHBondContact N-O 3.26Å; T363-F823 VanDerWaalsContact O-CB 3.29Å; T363-F823 WeakPolarHBondContact O-CB 3.39Å; T363-F823 PolarHBondContact O-N 3.3Å
364Y89.2Confident85.7Confident45 Ų4570.8 Ų70.818%0.17635%0.349CS..  trans-123.2130.1175.1178.5-128.2000110.9S7 E8 M10 K366 F823S7-Y364 WeakPolarHBondContact CA-O 3.41Å; E8-Y364 HydrophobicContact CB-CD1 3.94Å; E8-Y364 HydrophobicContact CG-CD1 3.83Å; E8-Y364 HydrophobicContact CG-CE1 4.34Å; E8-Y364 PolarHBondContact N-O 2.74Å; M10-Y364 HydrophobicContact CE-CD1 3.8Å; M10-Y364 HydrophobicContact CE-CG 3.74Å; Y364-K366 HydrophobicContact CE1-CG 3.92Å; Y364-F823 HydrophobicContact CD1-CD1 4.43Å; Y364-F823 HydrophobicContact CD2-CB 4.27Å; Y364-F823 AromaticContact CD2-CD1 3.39Å; Y364-F823 HydrophobicContact CD2-CD1 3.39Å; Y364-F823 HydrophobicContact CD2-CE1 4.11Å; Y364-F823 HydrophobicContact CD2-CG 4.21Å; Y364-F823 AromaticContact CE2-CD1 3.98Å; Y364-F823 HydrophobicContact CE2-CD1 3.98Å; Y364-F823 HydrophobicContact CE2-CE1 4.35Å; Y364-F823 HydrophobicContact CG-CB 4.39Å; Y364-F823 AromaticContact CG-CD1 3.65Å; Y364-F823 HydrophobicContact CG-CD1 3.65Å; Y364-F823 HydrophobicContact CG-CE1 4.24Å; Y364-F823 HydrophobicContact CG-CG 4.25Å
365N86.3Confident85.9Confident24 Ų2465 Ų6513%0.12833%0.327CS..  trans-122.1122.2174.4-62-26.8000107.6S7 T367 Q375 N390S7-N365 WeakPolarHBondContact CA-OD1 3.38Å; N365-T367 PolarHBondContact O-N 3.33Å; N365-T367 VanDerWaalsContact O-N 3.13Å; N365-Q375 PolarHBondContact ND2-NE2 3.08Å; N365-Q375 VanDerWaalsContact ND2-NE2 3.1Å; N365-N390 PolarHBondContact ND2-ND2 2.98Å
366K82.6Confident86Confident47 Ų4765.8 Ų65.820%0.20433%0.333CS..  trans-64114.8175.9-69.2179.6-176.4174.80109.5E3 L4 E8 Y364E3-K366 VanDerWaalsContact CD-NZ 3.3Å; E3-K366 IonicContact OE1-NZ 2.62Å; E3-K366 PolarHBondContact OE1-NZ 3.27Å; E3-K366 WeakPolarHBondContact OE2-CD 3.45Å; E3-K366 IonicContact OE2-NZ 3.18Å; E3-K366 PolarHBondContact OE2-NZ 3.02Å; L4-K366 WeakPolarHBondContact CD1-O 3.39Å; E8-K366 HydrophobicContact CG-CG 4.28Å; E8-K366 VanDerWaalsContact OE1-CE 3.28Å; E8-K366 WeakPolarHBondContact OE1-CE 3.38Å; E8-K366 IonicContact OE1-NZ 3Å; Y364-K366 HydrophobicContact CE1-CG 3.92Å
367T82.8Confident86.5Confident71 Ų7157.3 Ų57.344%0.43629%0.294SS..  trans-102.6138178.956.70000111N365 Q375N365-T367 PolarHBondContact O-N 3.33Å; N365-T367 VanDerWaalsContact O-N 3.13Å; T367-Q375 HydrophobicContact CG2-CB 3.86Å; T367-Q375 HydrophobicContact CG2-CG 3.89Å
368N85.9Confident86.8Confident118 Ų11855 Ų5563%0.63128%0.279SS*.  trans-96.6165.9167.1-71.1-16.9000108.7F370 T371 S372N368-F370 PolarHBondContact O-N 2.96Å; N368-T371 PolarHBondContact N-OG1 3.48Å; N368-T371 PolarHBondContact O-N 2.97Å; N368-T371 PolarHBondContact O-OG1 3.43Å; N368-S372 PolarHBondContact O-N 3.44Å
369K83.2Confident87.2Confident150 Ų15046.9 Ų46.965%0.65225%0.246SC*.THydrogen-bonded Turntrans-50.1-32.1174.3-63.9-175.8179-174.60113.5S372 Y448K369-S372 PolarHBondContact O-OG 2.64Å; K369-Y448 WeakPolarHBondContact O-CD2 3.49Å; K369-Y448 VanDerWaalsContact O-CE2 3.27Å; K369-Y448 WeakPolarHBondContact O-CE2 3.43Å
370F86.8Confident87.5Confident78 Ų7845.7 Ų45.734%0.34225%0.253SS..THydrogen-bonded Turntrans-79.6-41.4177.3179.3-100000113.4N368 F374 I396 Y448 L452N368-F370 PolarHBondContact O-N 2.96Å; F370-F374 HydrophobicContact CE1-CE2 4.41Å; F370-F374 HydrophobicContact CZ-CE2 4.18Å; F370-I396 HydrophobicContact CE1-CD1 4.4Å; F370-I396 HydrophobicContact CE1-CG2 3.69Å; F370-I396 HydrophobicContact CZ-CG2 3.99Å; F370-Y448 AromaticContact CD2-CD1 3.88Å; F370-Y448 HydrophobicContact CD2-CD1 3.88Å; F370-Y448 HydrophobicContact CD2-CD2 4.38Å; F370-Y448 AromaticContact CD2-CG 3.74Å; F370-Y448 HydrophobicContact CD2-CG 3.74Å; F370-Y448 HydrophobicContact CE2-CD1 4.46Å; F370-Y448 HydrophobicContact CE2-CG 4.37Å; F370-L452 HydrophobicContact CE2-CD1 4.12Å; F370-L452 HydrophobicContact CZ-CD1 3.64Å
371T86.9Confident87.8Confident15 Ų1546.1 Ų46.19%0.09224%0.244CC..Hα-helixtrans-86.4-18.7-173.657.70000113.4L4 N368 G373 F374 Q375 I396L4-T371 HydrophobicContact CD2-CG2 4.08Å; N368-T371 PolarHBondContact N-OG1 3.48Å; N368-T371 PolarHBondContact O-N 2.97Å; N368-T371 PolarHBondContact O-OG1 3.43Å; T371-G373 PolarHBondContact O-N 2.99Å; T371-F374 PolarHBondContact O-N 3.37Å; T371-Q375 WeakPolarHBondContact O-CB 3.45Å; T371-Q375 PolarHBondContact O-N 2.8Å; T371-I396 HydrophobicContact CG2-CD1 3.87Å
372S85.9Confident87.7Confident38 Ų3846 Ų4627%0.26625%0.246SC..Hα-helixtrans-58.1-42.6-179.460.10000113.3N368 K369 F374 Q375 N376N368-S372 PolarHBondContact O-N 3.44Å; K369-S372 PolarHBondContact O-OG 2.64Å; S372-F374 PolarHBondContact O-N 2.88Å; S372-Q375 PolarHBondContact O-N 3.01Å; S372-N376 WeakPolarHBondContact O-CB 3.4Å; S372-N376 PolarHBondContact O-N 3.34Å; S372-N376 PolarHBondContact O-ND2 3.26Å
373G86.7Confident87.6Confident11 Ų1148 Ų4811%0.11326%0.256CS..Hα-helixtrans-62.3-43.417800000112.7T371 I377T371-G373 PolarHBondContact O-N 2.99Å; G373-I377 PolarHBondContact O-N 2.97Å
374F89.1Confident87.5Confident0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-70.6-37.3177.2-67.7-80.3000112.2F370 T371 S372 I377 V378 I396 P400 I449 L452F370-F374 HydrophobicContact CE1-CE2 4.41Å; F370-F374 HydrophobicContact CZ-CE2 4.18Å; T371-F374 PolarHBondContact O-N 3.37Å; S372-F374 PolarHBondContact O-N 2.88Å; F374-I377 PolarHBondContact O-N 2.75Å; F374-V378 PolarHBondContact O-N 2.62Å; F374-I396 HydrophobicContact CB-CG1 4.02Å; F374-I396 HydrophobicContact CD1-CG1 4.29Å; F374-I396 HydrophobicContact CD2-CG1 3.77Å; F374-I396 HydrophobicContact CE2-CG1 4.27Å; F374-I396 HydrophobicContact CE2-CG2 4.42Å; F374-I396 HydrophobicContact CG-CG1 3.77Å; F374-P400 HydrophobicContact CE1-CG 4.16Å; F374-P400 HydrophobicContact CZ-CG 4.37Å; F374-I449 HydrophobicContact CD1-CD1 4.48Å; F374-I449 HydrophobicContact CD1-CG1 4.21Å; F374-I449 HydrophobicContact CD2-CG1 4.25Å; F374-I449 HydrophobicContact CE1-CB 4.29Å; F374-I449 HydrophobicContact CE1-CG1 3.88Å; F374-I449 HydrophobicContact CE1-CG2 3.95Å; F374-I449 HydrophobicContact CE2-CG1 3.93Å; F374-I449 HydrophobicContact CG-CG1 4.39Å; F374-I449 HydrophobicContact CZ-CB 4.12Å; F374-I449 HydrophobicContact CZ-CG1 3.74Å; F374-I449 HydrophobicContact CZ-CG2 4.21Å; F374-L452 HydrophobicContact CE2-CD1 4.12Å; F374-L452 HydrophobicContact CZ-CD1 3.7Å
375Q90.6Very high87.4Confident6 Ų647.2 Ų47.23%0.02826%0.259CS..Hα-helixtrans-63.2-44.8176.1-171.564.34300111N365 T367 T371 S372 I377 V378 D379 N390N365-Q375 PolarHBondContact ND2-NE2 3.08Å; N365-Q375 VanDerWaalsContact ND2-NE2 3.1Å; T367-Q375 HydrophobicContact CG2-CB 3.86Å; T367-Q375 HydrophobicContact CG2-CG 3.89Å; T371-Q375 WeakPolarHBondContact O-CB 3.45Å; T371-Q375 PolarHBondContact O-N 2.8Å; S372-Q375 PolarHBondContact O-N 3.01Å; Q375-I377 PolarHBondContact O-N 3.33Å; Q375-V378 PolarHBondContact O-N 3.02Å; Q375-D379 PolarHBondContact NE2-OD1 2.9Å; Q375-D379 WeakPolarHBondContact O-CB 3.2Å; Q375-D379 VanDerWaalsContact O-CG 3.29Å; Q375-D379 PolarHBondContact O-N 3.02Å; Q375-N390 PolarHBondContact OE1-ND2 2.99Å
376N88.8Confident87.6Confident89 Ų8948.9 Ų48.948%0.47626%0.264SS..Hα-helixtrans-60.3-34.4178.3-71.6-14.1000112.5S372 A380S372-N376 WeakPolarHBondContact O-CB 3.4Å; S372-N376 PolarHBondContact O-N 3.34Å; S372-N376 PolarHBondContact O-ND2 3.26Å; N376-A380 WeakPolarHBondContact O-CB 3.26Å; N376-A380 PolarHBondContact O-N 3.06Å
377I90.6Very high87.8Confident25 Ų2548.4 Ų48.413%0.12826%0.261CS..Hα-helixtrans-67.2-37.2174.7-73.4176.2000112G373 F374 Q375 I449 F800 L804 W808G373-I377 PolarHBondContact O-N 2.97Å; F374-I377 PolarHBondContact O-N 2.75Å; Q375-I377 PolarHBondContact O-N 3.33Å; I377-I449 HydrophobicContact CD1-CD1 3.5Å; I377-F800 HydrophobicContact CD1-CZ 4.11Å; I377-L804 HydrophobicContact CG2-CD1 3.57Å; I377-L804 HydrophobicContact CG2-CG 4.46Å; I377-W808 WeakPolarHBondContact O-CZ2 3.46Å; I377-W808 PolarHBondContact O-NE1 3.45Å
378V90.2Very high88.1Confident1 Ų145.7 Ų45.71%0.00624%0.243CC..Hα-helixtrans-71.8-47.4176.7174.60000110F374 Q375 A380 Y381 P391 A392 T395F374-V378 PolarHBondContact O-N 2.62Å; Q375-V378 PolarHBondContact O-N 3.02Å; V378-A380 PolarHBondContact O-N 2.84Å; V378-Y381 PolarHBondContact O-N 3.44Å; V378-Y381 VanDerWaalsContact O-N 3.12Å; V378-P391 HydrophobicContact CG1-CB 4.19Å; V378-P391 HydrophobicContact CG1-CG 3.97Å; V378-P391 HydrophobicContact CG2-CB 4.4Å; V378-A392 HydrophobicContact CG2-CB 4.18Å; V378-T395 HydrophobicContact CG2-CG2 4.5Å
379D89.6Confident88.2Confident33 Ų3340.1 Ų40.118%0.17621%0.213CC..Hα-helixtrans-61.1-27.3179.4-68.6-2.5000112.7Q375 Y381 G382 K822Q375-D379 PolarHBondContact NE2-OD1 2.9Å; Q375-D379 WeakPolarHBondContact O-CB 3.2Å; Q375-D379 VanDerWaalsContact O-CG 3.29Å; Q375-D379 PolarHBondContact O-N 3.02Å; D379-Y381 VanDerWaalsContact C-N 3.28Å; D379-Y381 PolarHBondContact O-N 3.02Å; D379-G382 CarbonylContact C-O 3.57Å; D379-G382 WeakPolarHBondContact CA-O 3.43Å; D379-G382 CarbonylContact O-C 3.49Å; D379-G382 PolarHBondContact O-N 3.08Å; D379-K822 IonicContact OD2-NZ 3.68Å
380A89.2Confident88.5Confident73 Ų7333.3 Ų33.360%0.60318%0.184SC*.THydrogen-bonded Turntrans-68.1-23.4177.800000113.8N376 V378 W808N376-A380 WeakPolarHBondContact O-CB 3.26Å; N376-A380 PolarHBondContact O-N 3.06Å; V378-A380 PolarHBondContact O-N 2.84Å; A380-W808 HydrophobicContact CB-CH2 4.48Å; A380-W808 HydrophobicContact CB-CZ2 4.14Å
381Y89.3Confident88.6Confident107 Ų10729.6 Ų29.642%0.4217%0.168SC..THydrogen-bonded Turntrans-82.2-40.3173.8-177.4-111.4000111.8V378 D379 W808 Y816V378-Y381 PolarHBondContact O-N 3.44Å; V378-Y381 VanDerWaalsContact O-N 3.12Å; D379-Y381 VanDerWaalsContact C-N 3.28Å; D379-Y381 PolarHBondContact O-N 3.02Å; Y381-W808 HydrophobicContact CD2-CB 3.65Å; Y381-W808 AromaticContact CD2-CD2 3.82Å; Y381-W808 HydrophobicContact CD2-CD2 3.82Å; Y381-W808 AromaticContact CD2-CE3 3.99Å; Y381-W808 HydrophobicContact CD2-CE3 3.99Å; Y381-W808 AromaticContact CD2-CG 3.71Å; Y381-W808 HydrophobicContact CD2-CG 3.71Å; Y381-W808 HydrophobicContact CE2-CB 3.87Å; Y381-W808 HydrophobicContact CE2-CG 4.43Å; Y381-W808 HydrophobicContact CG-CB 4.03Å; Y381-W808 HydrophobicContact CG-CD2 4.16Å; Y381-W808 AromaticContact CG-CG 3.85Å; Y381-W808 HydrophobicContact CG-CG 3.85Å; Y381-Y816 HydrophobicContact CD1-CE1 4.43Å
382G87.6Confident88.7Confident17 Ų1728.9 Ų28.918%0.17516%0.164CC..  trans-179.2165.5178.400000109.3D379 Y816D379-G382 CarbonylContact C-O 3.57Å; D379-G382 WeakPolarHBondContact CA-O 3.43Å; D379-G382 CarbonylContact O-C 3.49Å; D379-G382 PolarHBondContact O-N 3.08Å; G382-Y816 VanDerWaalsContact C-OH 3.29Å; G382-Y816 PolarHBondContact O-OH 2.74Å
383I89.1Confident88.9Confident48 Ų4828.9 Ų28.925%0.24616%0.163CC..BIsolated β-bridgetrans-98.3135.2176.8-62.4147.8000108.4G818 Q819 G820 K822I383-G818 CarbonylContact O-C 3.58Å; I383-G818 VanDerWaalsContact O-CA 3.27Å; I383-G818 WeakPolarHBondContact O-CA 3.21Å; I383-Q819 PolarHBondContact O-N 3.02Å; I383-G820 WeakPolarHBondContact CB-O 3.3Å; I383-G820 PolarHBondContact O-N 2.98Å; I383-K822 HydrophobicContact CD1-CB 3.66Å; I383-K822 HydrophobicContact CG1-CB 4.07Å; I383-K822 HydrophobicContact CG2-CB 4.24Å
384G86.6Confident89.1Confident10 Ų1031.1 Ų31.110%0.10317%0.168CC..PPolyproline II helixtrans-65.9142.8-174.300000110.5T363 Y816 G820T363-G384 WeakPolarHBondContact CB-O 3.38Å; T363-G384 WeakPolarHBondContact CG2-O 3.49Å; T363-G384 PolarHBondContact OG1-O 2.88Å; G384-Y816 VanDerWaalsContact CA-CE2 3.48Å; G384-Y816 VanDerWaalsContact CA-OH 3.24Å; G384-Y816 WeakPolarHBondContact CA-OH 3.31Å; G384-Y816 PolarHBondContact N-OH 3.13Å; G384-G820 WeakPolarHBondContact O-CA 3.19Å
385S88.5Confident89.2Confident31 Ų3131.2 Ų31.222%0.21717%0.169CC..PPolyproline II helixtrans-66.6155.9173.265.30000110.7R387 E388S385-R387 PolarHBondContact O-N 3.08Å; S385-E388 WeakPolarHBondContact CB-OE2 3.39Å; S385-E388 PolarHBondContact N-OE2 3.29Å; S385-E388 WeakPolarHBondContact O-CB 3.38Å; S385-E388 PolarHBondContact O-N 3.37Å; S385-E388 VanDerWaalsContact O-N 3.15Å; S385-E388 WeakPolarHBondContact OG-CB 3.38Å; S385-E388 PolarHBondContact OG-OE2 2.87Å
386Y88.8Confident89.3Confident58 Ų5832 Ų3223%0.22717%0.173CC..THydrogen-bonded Turntrans-58.1130.7-176.7-177.8-111.5000110.8E8 E9 M10 P361 E388E8-Y386 WeakPolarHBondContact O-CE2 3.4Å; E9-Y386 WeakPolarHBondContact CA-OH 3.16Å; M10-Y386 HydrophobicContact CB-CE2 3.9Å; M10-Y386 HydrophobicContact CG-CE2 4.13Å; M10-Y386 PolarHBondContact N-OH 3.21Å; M10-Y386 PolarHBondContact O-OH 3.41Å; P361-Y386 HydrophobicContact CB-CD1 4.5Å; P361-Y386 HydrophobicContact CB-CD2 3.86Å; P361-Y386 HydrophobicContact CB-CE1 4.45Å; P361-Y386 HydrophobicContact CB-CE2 3.85Å; P361-Y386 HydrophobicContact CB-CG 4.2Å; P361-Y386 HydrophobicContact CG-CD1 4Å; P361-Y386 HydrophobicContact CG-CD2 4.24Å; P361-Y386 HydrophobicContact CG-CE1 3.86Å; P361-Y386 HydrophobicContact CG-CE2 4.14Å; P361-Y386 HydrophobicContact CG-CG 4.18Å; Y386-E388 PolarHBondContact O-N 3.43Å
387R87.7Confident89.5Confident38 Ų3832 Ų3214%0.14317%0.172CC..THydrogen-bonded Turntrans6610.2-179.8-67.4-112.826.5179.9-6116.2R6 S7 E9 S385 Y562 F563R6-R387 VanDerWaalsContact CD-NH2 3.34Å; R6-R387 PolarHBondContact NH1-O 3.2Å; R6-R387 VanDerWaalsContact NH1-O 3.08Å; S7-R387 VanDerWaalsContact OG-CA 3.3Å; S7-R387 WeakPolarHBondContact OG-CA 3.36Å; S7-R387 PolarHBondContact OG-N 2.89Å; E9-R387 IonicContact OE1-CZ 3.79Å; E9-R387 IonicContact OE1-NH1 3.6Å; E9-R387 PolarHBondContact OE1-NH1 3.35Å; S385-R387 PolarHBondContact O-N 3.08Å; R387-Y562 HydrophobicContact CB-CE1 3.91Å; R387-Y562 WeakPolarHBondContact CD-OH 3.45Å; R387-Y562 VanDerWaalsContact NE-CZ 3.33Å; R387-Y562 PolarHBondContact NE-OH 2.93Å; R387-Y562 VanDerWaalsContact NE-OH 3.08Å; R387-Y562 PolarHBondContact NH1-OH 2.92Å; R387-Y562 PolarHBondContact NH2-OH 2.95Å; R387-F563 HydrophobicContact CB-CE1 4.45Å; R387-F563 HydrophobicContact CB-CZ 4.41Å
388E88.1Confident89.6Confident13 Ų1332.3 Ų32.36%0.06118%0.175CC..PPolyproline II helixtrans-71.1156.1172.3-164.2169.1-159.100112R6 S385 Y386 N390 F815 Y816 A817R6-E388 WeakPolarHBondContact CA-O 3.32Å; S385-E388 WeakPolarHBondContact CB-OE2 3.39Å; S385-E388 PolarHBondContact N-OE2 3.29Å; S385-E388 WeakPolarHBondContact O-CB 3.38Å; S385-E388 PolarHBondContact O-N 3.37Å; S385-E388 VanDerWaalsContact O-N 3.15Å; S385-E388 WeakPolarHBondContact OG-CB 3.38Å; S385-E388 PolarHBondContact OG-OE2 2.87Å; Y386-E388 PolarHBondContact O-N 3.43Å; E388-N390 PolarHBondContact O-N 3.5Å; E388-F815 VanDerWaalsContact OE1-O 3.06Å; E388-Y816 VanDerWaalsContact OE1-CA 3.28Å; E388-Y816 WeakPolarHBondContact OE1-CA 3.5Å; E388-A817 PolarHBondContact OE1-N 3.17Å
389I89.5Confident89.8Confident1 Ų132.3 Ų32.31%0.00518%0.175CC..BIsolated β-bridgetrans-67.9126.3173.5-69.3163.9000109.8F5 R6 P391 Y394 F558 N559F5-I389 HydrophobicContact CD2-CG2 4.4Å; F5-I389 HydrophobicContact CE1-CD1 4.33Å; F5-I389 HydrophobicContact CE1-CG1 4.01Å; F5-I389 HydrophobicContact CE2-CG1 4.33Å; F5-I389 HydrophobicContact CE2-CG2 3.83Å; F5-I389 HydrophobicContact CZ-CD1 3.81Å; F5-I389 HydrophobicContact CZ-CG1 3.77Å; F5-I389 HydrophobicContact CZ-CG2 4.13Å; F5-I389 WeakPolarHBondContact O-CA 3.43Å; R6-I389 HydrophobicContact CG-CG1 4.35Å; I389-P391 WeakPolarHBondContact O-CD 3.48Å; I389-Y394 HydrophobicContact CG2-CE2 4.24Å; I389-F558 HydrophobicContact CD1-CB 3.4Å; I389-F558 VanDerWaalsContact CD1-CB 3.4Å; I389-N559 VanDerWaalsContact CD1-OD1 3.29Å; I389-N559 WeakPolarHBondContact CD1-OD1 3.19Å; I389-N559 WeakPolarHBondContact CG1-OD1 3.32Å; I389-N559 PolarHBondContact N-OD1 2.94Å; I389-N559 VanDerWaalsContact N-OD1 3.12Å
390N89.4Confident90.1Very high7 Ų730.7 Ų30.74%0.03717%0.166CC..PPolyproline II helixtrans-75.8127.5175.6-173.40.5000109.9L4 F5 N365 Q375 E388 A392 P393L4-N390 WeakPolarHBondContact O-CB 3.49Å; F5-N390 PolarHBondContact O-N 3.42Å; N365-N390 PolarHBondContact ND2-ND2 2.98Å; Q375-N390 PolarHBondContact OE1-ND2 2.99Å; E388-N390 PolarHBondContact O-N 3.5Å; N390-A392 VanDerWaalsContact C-N 3.28Å; N390-A392 PolarHBondContact O-N 2.93Å; N390-A392 VanDerWaalsContact OD1-CB 3.31Å; N390-A392 WeakPolarHBondContact OD1-CB 3.47Å; N390-A392 PolarHBondContact OD1-N 2.99Å; N390-P393 VanDerWaalsContact O-CD 3.24Å; N390-P393 WeakPolarHBondContact O-CD 3.43Å
391P89Confident90.3Very high0 Ų030.3 Ų30.30%015%0.151CC..SBendtrans-67-25.3172-20.231.2000114.1V378 I389 P393 Y394 T395 Q812 F815 Y816V378-P391 HydrophobicContact CG1-CB 4.19Å; V378-P391 HydrophobicContact CG1-CG 3.97Å; V378-P391 HydrophobicContact CG2-CB 4.4Å; I389-P391 WeakPolarHBondContact O-CD 3.48Å; P391-P393 VanDerWaalsContact C-CD 3.45Å; P391-Y394 WeakPolarHBondContact O-CB 3.28Å; P391-Y394 PolarHBondContact O-N 3.3Å; P391-T395 PolarHBondContact O-N 3.21Å; P391-T395 PolarHBondContact O-OG1 2.95Å; P391-T395 VanDerWaalsContact O-OG1 3.07Å; P391-Q812 HydrophobicContact CB-CG 4.35Å; P391-Q812 HydrophobicContact CG-CG 4.12Å; P391-F815 HydrophobicContact CB-CE2 4.46Å; P391-F815 HydrophobicContact CB-CZ 4.06Å; P391-F815 HydrophobicContact CG-CE2 3.88Å; P391-F815 HydrophobicContact CG-CZ 3.87Å; P391-Y816 HydrophobicContact CG-CD2 3.74Å; P391-Y816 HydrophobicContact CG-CE2 4.08Å; P391-Y816 HydrophobicContact CG-CG 4.2Å
392A88.9Confident90.6Very high1 Ų125.4 Ų25.41%0.00813%0.132CC..Hα-helixtrans-54.7-43.4-169.200000115.5V378 N390 Y394 T395 I396V378-A392 HydrophobicContact CG2-CB 4.18Å; N390-A392 VanDerWaalsContact C-N 3.28Å; N390-A392 PolarHBondContact O-N 2.93Å; N390-A392 VanDerWaalsContact OD1-CB 3.31Å; N390-A392 WeakPolarHBondContact OD1-CB 3.47Å; N390-A392 PolarHBondContact OD1-N 2.99Å; A392-Y394 PolarHBondContact O-N 3.33Å; A392-T395 PolarHBondContact O-N 2.96Å; A392-I396 VanDerWaalsContact O-CG1 3.32Å; A392-I396 WeakPolarHBondContact O-CG1 3.45Å; A392-I396 PolarHBondContact O-N 3.04Å
393P90.1Very high90.9Very high37 Ų3724.6 Ų24.624%0.2412%0.124CC..Hα-helixtrans-53.8-37.7175.7-18.925.2000113.5L4 N390 P391L4-P393 HydrophobicContact CB-CG 4.42Å; L4-P393 HydrophobicContact CD2-CG 3.98Å; L4-P393 HydrophobicContact CG-CG 4.42Å; N390-P393 VanDerWaalsContact O-CD 3.24Å; N390-P393 WeakPolarHBondContact O-CD 3.43Å; P391-P393 VanDerWaalsContact C-CD 3.45Å
394Y91Very high91.2Very high59 Ų5922.3 Ų22.323%0.23111%0.112CC..Hα-helixtrans-77.7-44.6179.5-56.3-58.9000110.9F5 I389 P391 A392 I396 I397 T398 F551 L555F5-Y394 HydrophobicContact CE2-CE2 4.35Å; F5-Y394 VanDerWaalsContact CE2-OH 3.28Å; F5-Y394 WeakPolarHBondContact CE2-OH 3.18Å; I389-Y394 HydrophobicContact CG2-CE2 4.24Å; P391-Y394 WeakPolarHBondContact O-CB 3.28Å; P391-Y394 PolarHBondContact O-N 3.3Å; A392-Y394 PolarHBondContact O-N 3.33Å; Y394-I396 PolarHBondContact O-N 2.91Å; Y394-I396 VanDerWaalsContact O-N 3.17Å; Y394-I397 PolarHBondContact O-N 3.13Å; Y394-T398 PolarHBondContact O-N 3.21Å; Y394-T398 PolarHBondContact O-OG1 3.2Å; Y394-F551 AromaticContact CD1-CE1 3.8Å; Y394-F551 HydrophobicContact CD1-CE1 3.8Å; Y394-F551 AromaticContact CD1-CZ 3.64Å; Y394-F551 HydrophobicContact CD1-CZ 3.64Å; Y394-F551 HydrophobicContact CD2-CE1 4.43Å; Y394-F551 HydrophobicContact CE1-CE1 4.16Å; Y394-F551 AromaticContact CE1-CZ 3.53Å; Y394-F551 HydrophobicContact CE1-CZ 3.53Å; Y394-F551 HydrophobicContact CE2-CZ 4.42Å; Y394-F551 AromaticContact CG-CE1 3.93Å; Y394-F551 HydrophobicContact CG-CE1 3.93Å; Y394-F551 HydrophobicContact CG-CZ 4.14Å; Y394-F551 AromaticContact CZ-CZ 3.9Å; Y394-L555 HydrophobicContact CD2-CD1 3.87Å; Y394-L555 HydrophobicContact CE2-CD1 3.65Å; Y394-L555 HydrophobicContact CE2-CD2 3.79Å; Y394-L555 HydrophobicContact CE2-CG 4.4Å; Y394-L555 WeakPolarHBondContact OH-CD2 3.41Å
395T91.1Very high91.5Very high2 Ų222.1 Ų22.11%0.01211%0.109CC..Hα-helixtrans-55.6-33.2177.2-50.80000112V378 P391 A392 I397 F399 P400V378-T395 HydrophobicContact CG2-CG2 4.5Å; P391-T395 PolarHBondContact O-N 3.21Å; P391-T395 PolarHBondContact O-OG1 2.95Å; P391-T395 VanDerWaalsContact O-OG1 3.07Å; A392-T395 PolarHBondContact O-N 2.96Å; T395-I397 PolarHBondContact O-N 3.06Å; T395-I397 VanDerWaalsContact O-N 3.08Å; T395-F399 HydrophobicContact CG2-CB 3.66Å; T395-F399 HydrophobicContact CG2-CG 4.33Å; T395-F399 WeakPolarHBondContact O-CB 3.24Å; T395-F399 PolarHBondContact O-N 3.29Å; T395-F399 VanDerWaalsContact O-N 3.1Å; T395-P400 WeakPolarHBondContact O-CD 3.44Å
396I91.9Very high91.8Very high21 Ų2120.7 Ų20.711%0.10810%0.099CC..Hα-helixtrans-51.1-36.8176.3-70.6164.4000112.7F370 T371 F374 A392 Y394 P400 L452F370-I396 HydrophobicContact CE1-CD1 4.4Å; F370-I396 HydrophobicContact CE1-CG2 3.69Å; F370-I396 HydrophobicContact CZ-CG2 3.99Å; T371-I396 HydrophobicContact CG2-CD1 3.87Å; F374-I396 HydrophobicContact CB-CG1 4.02Å; F374-I396 HydrophobicContact CD1-CG1 4.29Å; F374-I396 HydrophobicContact CD2-CG1 3.77Å; F374-I396 HydrophobicContact CE2-CG1 4.27Å; F374-I396 HydrophobicContact CE2-CG2 4.42Å; F374-I396 HydrophobicContact CG-CG1 3.77Å; A392-I396 VanDerWaalsContact O-CG1 3.32Å; A392-I396 WeakPolarHBondContact O-CG1 3.45Å; A392-I396 PolarHBondContact O-N 3.04Å; Y394-I396 PolarHBondContact O-N 2.91Å; Y394-I396 VanDerWaalsContact O-N 3.17Å; I396-P400 VanDerWaalsContact O-CD 3.32Å; I396-P400 WeakPolarHBondContact O-CD 3.47Å; I396-P400 WeakPolarHBondContact O-CG 3.31Å; I396-L452 HydrophobicContact CG2-CD1 4.2Å
397I93Very high91.9Very high89 Ų8918.1 Ų18.146%0.4569%0.089SC..Hα-helixtrans-106-45.5-177.5-59.6-60.3000111.9Y394 T395 F399 F401 F456Y394-I397 PolarHBondContact O-N 3.13Å; T395-I397 PolarHBondContact O-N 3.06Å; T395-I397 VanDerWaalsContact O-N 3.08Å; I397-F399 VanDerWaalsContact C-N 3.31Å; I397-F399 PolarHBondContact O-N 2.96Å; I397-F401 VanDerWaalsContact O-CB 3.26Å; I397-F401 WeakPolarHBondContact O-CB 3.17Å; I397-F401 PolarHBondContact O-N 2.93Å; I397-F401 VanDerWaalsContact O-N 3.17Å; I397-F456 HydrophobicContact CD1-CE2 4.5Å; I397-F456 HydrophobicContact CD1-CZ 4.37Å; I397-F456 HydrophobicContact CG2-CZ 4.12Å
398T93.6Very high92Very high32 Ų3216.5 Ų16.520%0.1968%0.084CC..Hα-helixtrans-67.7-33.4-174.858.70000112Y394 F401 L402 H807Y394-T398 PolarHBondContact O-N 3.21Å; Y394-T398 PolarHBondContact O-OG1 3.2Å; T398-F401 PolarHBondContact O-N 2.98Å; T398-L402 WeakPolarHBondContact O-CG 3.47Å; T398-L402 PolarHBondContact O-N 3.02Å; T398-H807 PolarHBondContact OG1-NE2 2.78Å
399F94Very high92.2Very high1 Ų116.1 Ų16.10%0.0048%0.083CC..Hα-helixtrans-67.8-55.7-179.6174.1-93.3000112.8T395 I397 F401 L402 F403 I449 M453 F800 A803 L804 H807T395-F399 HydrophobicContact CG2-CB 3.66Å; T395-F399 HydrophobicContact CG2-CG 4.33Å; T395-F399 WeakPolarHBondContact O-CB 3.24Å; T395-F399 PolarHBondContact O-N 3.29Å; T395-F399 VanDerWaalsContact O-N 3.1Å; I397-F399 VanDerWaalsContact C-N 3.31Å; I397-F399 PolarHBondContact O-N 2.96Å; F399-F401 PolarHBondContact O-N 3.49Å; F399-L402 PolarHBondContact O-N 3.19Å; F399-F403 WeakPolarHBondContact O-CB 3.43Å; F399-F403 PolarHBondContact O-N 3.23Å; F399-I449 HydrophobicContact CD1-CG2 4.09Å; F399-I449 HydrophobicContact CE1-CG2 3.74Å; F399-M453 HydrophobicContact CE1-SD 4.16Å; F399-F800 AromaticContact CE1-CD2 3.8Å; F399-F800 HydrophobicContact CE1-CD2 3.8Å; F399-F800 AromaticContact CE1-CE2 3.54Å; F399-F800 HydrophobicContact CE1-CE2 3.54Å; F399-F800 HydrophobicContact CE1-CZ 4.43Å; F399-F800 AromaticContact CZ-CD2 3.42Å; F399-F800 HydrophobicContact CZ-CD2 3.42Å; F399-F800 VanDerWaalsContact CZ-CD2 3.42Å; F399-F800 AromaticContact CZ-CE2 3.32Å; F399-F800 HydrophobicContact CZ-CE2 3.32Å; F399-F800 HydrophobicContact CZ-CG 4.13Å; F399-F800 AromaticContact CZ-CZ 3.94Å; F399-F800 HydrophobicContact CZ-CZ 3.94Å; F399-A803 HydrophobicContact CD2-CB 4.18Å; F399-A803 HydrophobicContact CE2-CB 3.87Å; F399-L804 HydrophobicContact CE2-CB 3.74Å; F399-L804 HydrophobicContact CZ-CB 4.47Å; F399-H807 WeakPolarHBondContact CA-CE1 3.41Å; F399-H807 AromaticContact CD2-ND1 3.87Å; F399-H807 PolarHBondContact N-NE2 3.45Å
400P94.8Very high92.3Very high0 Ų017.3 Ų17.30%09%0.089CC..Hα-helixtrans-59.3-32.2173.9-28.439.5000113.6F374 T395 I396 A404 L452 M453 F456F374-P400 HydrophobicContact CE1-CG 4.16Å; F374-P400 HydrophobicContact CZ-CG 4.37Å; T395-P400 WeakPolarHBondContact O-CD 3.44Å; I396-P400 VanDerWaalsContact O-CD 3.32Å; I396-P400 WeakPolarHBondContact O-CD 3.47Å; I396-P400 WeakPolarHBondContact O-CG 3.31Å; P400-A404 VanDerWaalsContact O-CB 3.29Å; P400-A404 WeakPolarHBondContact O-CB 3.29Å; P400-A404 PolarHBondContact O-N 3.47Å; P400-L452 HydrophobicContact CB-CB 3.95Å; P400-L452 HydrophobicContact CG-CB 3.77Å; P400-L452 HydrophobicContact CG-CD1 4.37Å; P400-M453 HydrophobicContact CB-CG 4.09Å; P400-M453 HydrophobicContact CG-CG 4.44Å; P400-F456 HydrophobicContact CB-CD2 3.51Å; P400-F456 HydrophobicContact CB-CE2 4.05Å; P400-F456 HydrophobicContact CB-CG 4.41Å
401F95Very high92.4Very high64 Ų6417.2 Ų17.228%0.2819%0.09SC..Hα-helixtrans-68.7-47.8178.3178.7-101.7000113.1I397 T398 F399 F403 A404 V405 F456 L544I397-F401 VanDerWaalsContact O-CB 3.26Å; I397-F401 WeakPolarHBondContact O-CB 3.17Å; I397-F401 PolarHBondContact O-N 2.93Å; I397-F401 VanDerWaalsContact O-N 3.17Å; T398-F401 PolarHBondContact O-N 2.98Å; F399-F401 PolarHBondContact O-N 3.49Å; F401-F403 VanDerWaalsContact C-N 3.29Å; F401-F403 PolarHBondContact O-N 3.45Å; F401-A404 WeakPolarHBondContact O-CB 3.46Å; F401-A404 PolarHBondContact O-N 3.29Å; F401-V405 HydrophobicContact CE1-CG2 4.35Å; F401-V405 HydrophobicContact CZ-CG2 4.31Å; F401-V405 PolarHBondContact O-N 3.49Å; F401-V405 VanDerWaalsContact O-N 3.11Å; F401-F456 HydrophobicContact CD2-CD1 4.34Å; F401-L544 HydrophobicContact CE1-CD1 4.02Å; F401-L544 HydrophobicContact CE1-CD2 3.91Å; F401-L544 HydrophobicContact CZ-CD1 4.45Å; F401-L544 HydrophobicContact CZ-CD2 4.32Å
402L94.3Very high92.6Very high5 Ų517.3 Ų17.33%0.0269%0.09CC..Hα-helixtrans-64.4-37.1176.2-70.7-170.8000111.7T398 F399 V405 M406 Y739 L742 L806T398-L402 WeakPolarHBondContact O-CG 3.47Å; T398-L402 PolarHBondContact O-N 3.02Å; F399-L402 PolarHBondContact O-N 3.19Å; L402-V405 PolarHBondContact O-N 2.99Å; L402-M406 PolarHBondContact O-N 3.28Å; L402-Y739 HydrophobicContact CD1-CE1 4.45Å; L402-L742 HydrophobicContact CB-CD2 4.15Å; L402-L742 HydrophobicContact CD2-CD1 4.22Å; L402-L742 HydrophobicContact CD2-CD2 4.07Å; L402-L806 HydrophobicContact CD1-CB 4.31Å; L402-L806 HydrophobicContact CD1-CD1 4.31Å
403F95.1Very high92.8Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-58.5-48170.9170.2-93.6000111.5F399 F401 V405 M406 F407 M416 M453 G796 A799 F800 A803F399-F403 WeakPolarHBondContact O-CB 3.43Å; F399-F403 PolarHBondContact O-N 3.23Å; F401-F403 VanDerWaalsContact C-N 3.29Å; F401-F403 PolarHBondContact O-N 3.45Å; F403-V405 PolarHBondContact O-N 3.06Å; F403-M406 WeakPolarHBondContact O-CB 3.47Å; F403-M406 PolarHBondContact O-N 2.98Å; F403-M406 VanDerWaalsContact O-N 3.09Å; F403-F407 HydrophobicContact CD1-CB 4.42Å; F403-F407 HydrophobicContact CE1-CB 3.8Å; F403-F407 HydrophobicContact CE1-CD1 4.08Å; F403-F407 HydrophobicContact CE1-CG 4.18Å; F403-F407 HydrophobicContact CE2-CB 4.03Å; F403-F407 HydrophobicContact CE2-CG 4.43Å; F403-F407 HydrophobicContact CZ-CB 3.6Å; F403-F407 AromaticContact CZ-CD1 3.9Å; F403-F407 HydrophobicContact CZ-CD1 3.9Å; F403-F407 AromaticContact CZ-CG 3.75Å; F403-F407 HydrophobicContact CZ-CG 3.75Å; F403-F407 PolarHBondContact O-N 3.3Å; F403-M416 HydrophobicContact CE1-CE 3.55Å; F403-M416 HydrophobicContact CE1-SD 4.27Å; F403-M416 HydrophobicContact CZ-CE 4.04Å; F403-M416 HydrophobicContact CZ-SD 4.29Å; F403-M453 HydrophobicContact CB-CE 4.47Å; F403-M453 HydrophobicContact CB-CG 4.43Å; F403-M453 HydrophobicContact CD1-CB 3.62Å; F403-M453 HydrophobicContact CD1-CE 3.53Å; F403-M453 HydrophobicContact CD1-CG 3.69Å; F403-M453 HydrophobicContact CD1-SD 4.44Å; F403-M453 HydrophobicContact CD2-CE 3.41Å; F403-M453 VanDerWaalsContact CD2-CE 3.41Å; F403-M453 HydrophobicContact CE1-CB 3.76Å; F403-M453 HydrophobicContact CE1-CE 3.46Å; F403-M453 VanDerWaalsContact CE1-CE 3.46Å; F403-M453 HydrophobicContact CE1-CG 4.2Å; F403-M453 HydrophobicContact CE2-CE 3.3Å; F403-M453 HydrophobicContact CG-CB 4.48Å; F403-M453 HydrophobicContact CG-CE 3.5Å; F403-M453 VanDerWaalsContact CG-CE 3.5Å; F403-M453 HydrophobicContact CG-CG 4.07Å; F403-M453 HydrophobicContact CG-SD 4.49Å; F403-M453 HydrophobicContact CZ-CE 3.33Å; F403-G796 WeakPolarHBondContact CE2-O 3.34Å; F403-A799 HydrophobicContact CD2-CB 3.82Å; F403-A799 HydrophobicContact CE2-CB 3.63Å; F403-F800 HydrophobicContact CD2-CB 4.37Å; F403-F800 HydrophobicContact CE2-CB 4.38Å; F403-A803 HydrophobicContact CB-CB 4.1Å
404A94.6Very high92.9Very high0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-63-28.9-179.300000113.6P400 F401 F407 G408 F456 T460P400-A404 VanDerWaalsContact O-CB 3.29Å; P400-A404 WeakPolarHBondContact O-CB 3.29Å; P400-A404 PolarHBondContact O-N 3.47Å; F401-A404 WeakPolarHBondContact O-CB 3.46Å; F401-A404 PolarHBondContact O-N 3.29Å; A404-F407 CarbonylContact O-C 3.6Å; A404-F407 VanDerWaalsContact O-C 3.27Å; A404-G408 VanDerWaalsContact O-CA 3.28Å; A404-G408 WeakPolarHBondContact O-CA 3.24Å; A404-G408 PolarHBondContact O-N 2.93Å; A404-G408 VanDerWaalsContact O-N 3.14Å; A404-F456 HydrophobicContact CB-CB 3.57Å; A404-F456 WeakPolarHBondContact CB-O 3.49Å; A404-T460 HydrophobicContact CB-CG2 3.67Å; A404-T460 WeakPolarHBondContact O-CB 3.47Å; A404-T460 PolarHBondContact O-OG1 3.35Å
405V94Very high93.1Very high5 Ų519.3 Ų19.33%0.0311%0.105CC..Hα-helixtrans-67.8-39.1174.3166.50000111.6F401 L402 F403 T460 Y464 M540 L544 L742 S746F401-V405 HydrophobicContact CE1-CG2 4.35Å; F401-V405 HydrophobicContact CZ-CG2 4.31Å; F401-V405 PolarHBondContact O-N 3.49Å; F401-V405 VanDerWaalsContact O-N 3.11Å; L402-V405 PolarHBondContact O-N 2.99Å; F403-V405 PolarHBondContact O-N 3.06Å; V405-T460 HydrophobicContact CG2-CG2 4.36Å; V405-Y464 PolarHBondContact O-OH 3.24Å; V405-M540 HydrophobicContact CG1-CE 3.8Å; V405-M540 HydrophobicContact CG1-SD 4.06Å; V405-M540 HydrophobicContact CG2-CE 4.48Å; V405-L544 HydrophobicContact CG1-CD1 4.27Å; V405-L544 HydrophobicContact CG2-CD1 3.82Å; V405-L742 HydrophobicContact CB-CD2 4.41Å; V405-L742 HydrophobicContact CG1-CB 4.15Å; V405-L742 HydrophobicContact CG1-CD2 4.18Å; V405-S746 WeakPolarHBondContact O-CB 3.37Å; V405-S746 PolarHBondContact O-OG 3.3Å; V405-S746 VanDerWaalsContact O-OG 3.08Å
406M93.8Very high93.2Very high2 Ų219.9 Ų19.91%0.0111%0.107CC..Hα-helixtrans-71-44.6173.2-68.5167.4170.600111.1L402 F403 R741 L742 L745 S746 A799 H802 L806L402-M406 PolarHBondContact O-N 3.28Å; F403-M406 WeakPolarHBondContact O-CB 3.47Å; F403-M406 PolarHBondContact O-N 2.98Å; F403-M406 VanDerWaalsContact O-N 3.09Å; M406-R741 HydrophobicContact CE-CB 4.28Å; M406-L742 HydrophobicContact CE-CD2 3.64Å; M406-L742 HydrophobicContact CE-CG 4.08Å; M406-L742 HydrophobicContact CG-CD2 3.91Å; M406-L742 HydrophobicContact SD-CD2 4.25Å; M406-L745 HydrophobicContact CB-CB 4.18Å; M406-L745 HydrophobicContact CE-CD1 3.86Å; M406-L745 HydrophobicContact CG-CB 4.16Å; M406-L745 HydrophobicContact CG-CD1 4.21Å; M406-L745 HydrophobicContact SD-CD1 3.81Å; M406-S746 WeakPolarHBondContact O-CA 3.4Å; M406-A799 HydrophobicContact CB-CB 3.96Å; M406-A799 HydrophobicContact SD-CB 4.4Å; M406-H802 HydrophobicContact CE-CB 3.74Å; M406-H802 HydrophobicContact SD-CB 3.99Å; M406-L806 HydrophobicContact CE-CD1 3.73Å
407F91.9Very high93.3Very high3 Ų320 Ų201%0.01311%0.109CC..SBendtrans-107.258.4-175.2-160.7-99000111.3F403 A404 D409 H412 M416 S457 H749 L791 E795 A799F403-F407 HydrophobicContact CD1-CB 4.42Å; F403-F407 HydrophobicContact CE1-CB 3.8Å; F403-F407 HydrophobicContact CE1-CD1 4.08Å; F403-F407 HydrophobicContact CE1-CG 4.18Å; F403-F407 HydrophobicContact CE2-CB 4.03Å; F403-F407 HydrophobicContact CE2-CG 4.43Å; F403-F407 HydrophobicContact CZ-CB 3.6Å; F403-F407 AromaticContact CZ-CD1 3.9Å; F403-F407 HydrophobicContact CZ-CD1 3.9Å; F403-F407 AromaticContact CZ-CG 3.75Å; F403-F407 HydrophobicContact CZ-CG 3.75Å; F403-F407 PolarHBondContact O-N 3.3Å; A404-F407 CarbonylContact O-C 3.6Å; A404-F407 VanDerWaalsContact O-C 3.27Å; F407-D409 PolarHBondContact O-N 2.81Å; F407-H412 HydrophobicContact CE1-CB 3.56Å; F407-H412 HydrophobicContact CZ-CB 3.7Å; F407-M416 HydrophobicContact CD1-CE 4.18Å; F407-M416 HydrophobicContact CE1-CE 4.33Å; F407-S457 WeakPolarHBondContact O-CB 3.49Å; F407-S457 PolarHBondContact O-OG 3.37Å; F407-H749 AromaticContact CD2-CE1 3.68Å; F407-H749 AromaticContact CD2-ND1 3.78Å; F407-H749 AromaticContact CE2-CE1 3.14Å; F407-H749 WeakPolarHBondContact CE2-CE1 3.28Å; F407-H749 AromaticContact CE2-ND1 3.52Å; F407-H749 AromaticContact CE2-NE2 3.83Å; F407-H749 AromaticContact CZ-CE1 3.62Å; F407-L791 WeakPolarHBondContact CE2-O 3.35Å; F407-E795 HydrophobicContact CE2-CB 4.45Å; F407-A799 HydrophobicContact CB-CB 4.42Å
408G88.5Confident93.4Very high5 Ų519.5 Ų19.55%0.05211%0.112CC..  trans-92.984.3-176.200000112.4A404A404-G408 VanDerWaalsContact O-CA 3.28Å; A404-G408 WeakPolarHBondContact O-CA 3.24Å; A404-G408 PolarHBondContact O-N 2.93Å; A404-G408 VanDerWaalsContact O-N 3.14Å
409D92.8Very high93.3Very high4 Ų420.7 Ų20.72%0.02113%0.126CC..  trans-140.3126.8171.2-171.6-36.1000109.3F407 G411 H412 G413 C467 F468F407-D409 PolarHBondContact O-N 2.81Å; D409-G411 VanDerWaalsContact C-N 3.31Å; D409-G411 PolarHBondContact O-N 3.47Å; D409-G411 PolarHBondContact OD1-N 2.88Å; D409-H412 HydrophobicContact CB-CB 4.18Å; D409-H412 IonicContact OD2-CE1 2.73Å; D409-H412 PolarHBondContact OD2-CE1 3.38Å; D409-H412 IonicContact OD2-ND1 3.46Å; D409-H412 PolarHBondContact OD2-ND1 3.35Å; D409-G413 PolarHBondContact O-N 2.98Å; D409-C467 WeakPolarHBondContact OD1-CA 3.48Å; D409-F468 PolarHBondContact OD1-N 2.99Å; D409-F468 PolarHBondContact OD2-N 3.41Å
410L92.3Very high93.2Very high27 Ų2720.7 Ų20.714%0.14113%0.126CC..Hα-helixtrans-61.6-40.3-179.9179.370.9000112.1T414 M458 L462 D466 C467 L472L410-T414 WeakPolarHBondContact O-CB 3.44Å; L410-T414 PolarHBondContact O-N 3.48Å; L410-T414 PolarHBondContact O-OG1 3.22Å; L410-M458 HydrophobicContact CD1-CB 4.39Å; L410-M458 HydrophobicContact CD1-CG 3.4Å; L410-M458 VanDerWaalsContact CD1-CG 3.4Å; L410-L462 HydrophobicContact CD1-CD2 3.93Å; L410-L462 HydrophobicContact CD1-CG 3.91Å; L410-L462 HydrophobicContact CD2-CD2 3.98Å; L410-D466 PolarHBondContact N-O 2.82Å; L410-C467 HydrophobicContact CB-CB 4.1Å; L410-C467 HydrophobicContact CD2-CB 4.19Å; L410-L472 HydrophobicContact CD2-CD1 3.52Å
411G91.5Very high93.1Very high5 Ų524.8 Ų24.85%0.05215%0.147CC..Hα-helixtrans-68.8-52.9-177.100000111.7D409 G413 T414 L415D409-G411 VanDerWaalsContact C-N 3.31Å; D409-G411 PolarHBondContact O-N 3.47Å; D409-G411 PolarHBondContact OD1-N 2.88Å; G411-G413 PolarHBondContact O-N 3.46Å; G411-T414 PolarHBondContact O-N 2.94Å; G411-L415 PolarHBondContact O-N 3.24Å; G411-L415 VanDerWaalsContact O-N 3.13Å
412H92.1Very high92.9Very high2 Ų227.4 Ų27.41%0.00916%0.156CC..Hα-helixtrans-64.6-39.4177.4-58.1136.9000112.2F407 D409 T414 L415 M416 F468 H749F407-H412 HydrophobicContact CE1-CB 3.56Å; F407-H412 HydrophobicContact CZ-CB 3.7Å; D409-H412 HydrophobicContact CB-CB 4.18Å; D409-H412 IonicContact OD2-CE1 2.73Å; D409-H412 PolarHBondContact OD2-CE1 3.38Å; D409-H412 IonicContact OD2-ND1 3.46Å; D409-H412 PolarHBondContact OD2-ND1 3.35Å; H412-T414 VanDerWaalsContact C-N 3.3Å; H412-T414 PolarHBondContact O-N 3.4Å; H412-L415 PolarHBondContact O-N 3.46Å; H412-M416 WeakPolarHBondContact O-CB 3.41Å; H412-M416 PolarHBondContact O-N 3.17Å; H412-F468 AromaticContact CD2-CD1 3.97Å; H412-F468 AromaticContact CD2-CE1 3.59Å; H412-F468 AromaticContact NE2-CD1 3.66Å; H412-F468 AromaticContact NE2-CE1 3.72Å; H412-H749 AromaticContact CE1-CE1 3.9Å; H412-H749 AromaticContact CE1-NE2 3.93Å; H412-H749 AromaticContact ND1-CE1 3.38Å; H412-H749 PolarHBondContact ND1-CE1 3.25Å; H412-H749 AromaticContact ND1-NE2 3.22Å; H412-H749 PolarHBondContact ND1-NE2 3.43Å
413G93.3Very high92.6Very high0 Ų028 Ų280%016%0.159CC..Hα-helixtrans-60.2-39174.900000112.7D409 G411 T417 S457D409-G413 PolarHBondContact O-N 2.98Å; G411-G413 PolarHBondContact O-N 3.46Å; G413-T417 WeakPolarHBondContact O-CB 3.26Å; G413-T417 PolarHBondContact O-N 3.34Å; G413-T417 PolarHBondContact O-OG1 3.03Å; G413-S457 WeakPolarHBondContact CA-OG 3.47Å
414T93.7Very high92.4Very high61 Ų6129.9 Ų29.937%0.37417%0.17SC..Hα-helixtrans-64.4-46.3175-56.70000111.4L410 G411 H412 M416 T417 C418L410-T414 WeakPolarHBondContact O-CB 3.44Å; L410-T414 PolarHBondContact O-N 3.48Å; L410-T414 PolarHBondContact O-OG1 3.22Å; G411-T414 PolarHBondContact O-N 2.94Å; H412-T414 VanDerWaalsContact C-N 3.3Å; H412-T414 PolarHBondContact O-N 3.4Å; T414-M416 PolarHBondContact O-N 2.94Å; T414-T417 PolarHBondContact O-N 3.33Å; T414-C418 PolarHBondContact O-N 3.15Å; T414-C418 PolarHBondContact O-SG 3.41Å; T414-C418 VanDerWaalsContact O-SG 3.34Å
415L93.7Very high92.2Very high78 Ų7835.9 Ų35.941%0.40820%0.201SC..Hα-helixtrans-61.1-44.7177.6-70.2175.6000112.2G411 H412 C418 A419 F468 L792G411-L415 PolarHBondContact O-N 3.24Å; G411-L415 VanDerWaalsContact O-N 3.13Å; H412-L415 PolarHBondContact O-N 3.46Å; L415-C418 PolarHBondContact O-N 3.46Å; L415-A419 PolarHBondContact O-N 3.22Å; L415-F468 HydrophobicContact CD1-CE1 4.23Å; L415-F468 HydrophobicContact CD1-CZ 4.02Å; L415-L792 HydrophobicContact CB-CD1 3.76Å; L415-L792 HydrophobicContact CD1-CD1 4.24Å
416M93.2Very high91.8Very high14 Ų1440.9 Ų40.97%0.06922%0.219CC..Hα-helixtrans-63.4-41.1177-179.4164.65900111.9F403 F407 H412 T414 A419 A420 I450 M453 L792F403-M416 HydrophobicContact CE1-CE 3.55Å; F403-M416 HydrophobicContact CE1-SD 4.27Å; F403-M416 HydrophobicContact CZ-CE 4.04Å; F403-M416 HydrophobicContact CZ-SD 4.29Å; F407-M416 HydrophobicContact CD1-CE 4.18Å; F407-M416 HydrophobicContact CE1-CE 4.33Å; H412-M416 WeakPolarHBondContact O-CB 3.41Å; H412-M416 PolarHBondContact O-N 3.17Å; T414-M416 PolarHBondContact O-N 2.94Å; M416-A419 PolarHBondContact O-N 3.49Å; M416-A420 WeakPolarHBondContact O-CB 3.38Å; M416-A420 PolarHBondContact O-N 3.41Å; M416-I450 HydrophobicContact CG-CG2 3.67Å; M416-I450 HydrophobicContact SD-CG2 4.25Å; M416-M453 HydrophobicContact CE-CB 4.15Å; M416-M453 HydrophobicContact SD-CB 4.48Å; M416-L792 HydrophobicContact CB-CD2 4.49Å
417T94.4Very high91.4Very high24 Ų2442 Ų4215%0.14723%0.225CC..Hα-helixtrans-63.6-44.1176.1-54.30000111.2G413 T414 A419 A420 L421 L451 G454 I455G413-T417 WeakPolarHBondContact O-CB 3.26Å; G413-T417 PolarHBondContact O-N 3.34Å; G413-T417 PolarHBondContact O-OG1 3.03Å; T414-T417 PolarHBondContact O-N 3.33Å; T417-A419 PolarHBondContact O-N 2.98Å; T417-A420 PolarHBondContact O-N 2.83Å; T417-L421 WeakPolarHBondContact O-CB 3.41Å; T417-L421 PolarHBondContact O-N 2.85Å; T417-L451 HydrophobicContact CG2-CD1 4.19Å; T417-G454 VanDerWaalsContact OG1-CA 3.23Å; T417-G454 WeakPolarHBondContact OG1-CA 3.42Å; T417-G454 PolarHBondContact OG1-O 3.27Å; T417-I455 HydrophobicContact CG2-CG1 4.13Å; T417-I455 PolarHBondContact OG1-N 3.03Å
418C94.8Very high90.9Very high78 Ų7846.5 Ų46.553%0.52726%0.257SS..Hα-helixtrans-61.1-43.4176-72.50000112.1T414 L415 L421 Y422T414-C418 PolarHBondContact O-N 3.15Å; T414-C418 PolarHBondContact O-SG 3.41Å; T414-C418 VanDerWaalsContact O-SG 3.34Å; L415-C418 PolarHBondContact O-N 3.46Å; C418-L421 PolarHBondContact O-N 2.75Å; C418-Y422 WeakPolarHBondContact O-CB 3.22Å; C418-Y422 PolarHBondContact O-N 3.42Å
419A91Very high90.6Very high57 Ų5754.1 Ų54.147%0.47128%0.284SS..Hα-helixtrans-64.3-43.4176.800000112.1L415 M416 T417 Y422 L423L415-A419 PolarHBondContact O-N 3.22Å; M416-A419 PolarHBondContact O-N 3.49Å; T417-A419 PolarHBondContact O-N 2.98Å; A419-Y422 WeakPolarHBondContact O-CB 3.38Å; A419-Y422 PolarHBondContact O-N 3.42Å; A419-L423 PolarHBondContact O-N 3.21Å
420A92.2Very high89.8Confident1 Ų155 Ų551%0.00829%0.288CS..Hα-helixtrans-64.6-43.3176.500000112M416 T417 Y422 L423 V424 I450 L451M416-A420 WeakPolarHBondContact O-CB 3.38Å; M416-A420 PolarHBondContact O-N 3.41Å; T417-A420 PolarHBondContact O-N 2.83Å; A420-Y422 VanDerWaalsContact C-N 3.29Å; A420-Y422 PolarHBondContact O-N 3.41Å; A420-L423 WeakPolarHBondContact O-CB 3.41Å; A420-L423 PolarHBondContact O-N 3.26Å; A420-L423 VanDerWaalsContact O-N 3.14Å; A420-V424 WeakPolarHBondContact O-CG2 3.36Å; A420-V424 PolarHBondContact O-N 2.84Å; A420-I450 HydrophobicContact CB-CB 4.17Å; A420-I450 HydrophobicContact CB-CG2 3.91Å; A420-L451 HydrophobicContact CB-CB 3.93Å; A420-L451 HydrophobicContact CB-CD1 4.11Å
421L93.4Very high89Confident85 Ų8558.7 Ų58.745%0.44531%0.306SS..Hα-helixtrans-64.1-36.4178.7-169.4149.9000111.2T417 C418 V424 I425 L451T417-L421 WeakPolarHBondContact O-CB 3.41Å; T417-L421 PolarHBondContact O-N 2.85Å; C418-L421 PolarHBondContact O-N 2.75Å; L421-V424 PolarHBondContact O-N 3.16Å; L421-I425 HydrophobicContact CD2-CD1 3.32Å; L421-I425 HydrophobicContact CD2-CG1 3.98Å; L421-I425 HydrophobicContact CG-CD1 4.34Å; L421-I425 WeakPolarHBondContact O-CB 3.37Å; L421-I425 WeakPolarHBondContact O-CG1 3.38Å; L421-I425 PolarHBondContact O-N 3.22Å; L421-L451 HydrophobicContact CB-CD1 4.39Å
422Y91.4Very high88Confident119 Ų11962.6 Ų62.647%0.46734%0.338SS..Hα-helixtrans-60-43.5171.5174.8-97.2000112.6C418 A419 A420 R426C418-Y422 WeakPolarHBondContact O-CB 3.22Å; C418-Y422 PolarHBondContact O-N 3.42Å; A419-Y422 WeakPolarHBondContact O-CB 3.38Å; A419-Y422 PolarHBondContact O-N 3.42Å; A420-Y422 VanDerWaalsContact C-N 3.29Å; A420-Y422 PolarHBondContact O-N 3.41Å; Y422-R426 HydrophobicContact CE2-CG 4.39Å; Y422-R426 PolarHBondContact O-N 3.15Å; Y422-R426 VanDerWaalsContact O-N 3.14Å; Y422-R426 PolarHBondContact OH-NH1 3.12Å
423L88.2Confident86.9Confident18 Ų1867.5 Ų67.59%0.09436%0.361CS..Hα-helixtrans-65.2-38.2176.4-67.5172.9000112.3A419 A420 E427 L430 F440 V443 R447A419-L423 PolarHBondContact O-N 3.21Å; A420-L423 WeakPolarHBondContact O-CB 3.41Å; A420-L423 PolarHBondContact O-N 3.26Å; A420-L423 VanDerWaalsContact O-N 3.14Å; L423-E427 PolarHBondContact O-N 3.06Å; L423-L430 HydrophobicContact CD2-CD1 3.91Å; L423-F440 HydrophobicContact CD2-CE2 4.14Å; L423-F440 HydrophobicContact CD2-CZ 4.06Å; L423-V443 HydrophobicContact CD1-CG1 3.81Å; L423-R447 HydrophobicContact CB-CB 4.33Å
424V89.6Confident85.5Confident39 Ų3976 Ų7624%0.23640%0.398CS..Hα-helixtrans-70.8-43178.4174.70000111.6A420 L421 R426 E427 R447 Y448A420-V424 WeakPolarHBondContact O-CG2 3.36Å; A420-V424 PolarHBondContact O-N 2.84Å; L421-V424 PolarHBondContact O-N 3.16Å; V424-R426 PolarHBondContact O-N 3.33Å; V424-E427 VanDerWaalsContact O-CB 3.3Å; V424-E427 WeakPolarHBondContact O-CB 2.95Å; V424-E427 PolarHBondContact O-N 2.96Å; V424-R447 HydrophobicContact CG2-CB 4.19Å; V424-R447 HydrophobicContact CG2-CG 4.09Å; V424-Y448 HydrophobicContact CG1-CE1 4.26Å; V424-Y448 HydrophobicContact CG2-CD1 4.37Å; V424-Y448 HydrophobicContact CG2-CE1 4.26Å
425I90.5Very high84Confident127 Ų12775 Ų7565%0.65139%0.39SS*.Hα-helixtrans-66-38.1179.2-71.4-176000111.6L421 E427L421-I425 HydrophobicContact CD2-CD1 3.32Å; L421-I425 HydrophobicContact CD2-CG1 3.98Å; L421-I425 HydrophobicContact CG-CD1 4.34Å; L421-I425 WeakPolarHBondContact O-CB 3.37Å; L421-I425 WeakPolarHBondContact O-CG1 3.38Å; L421-I425 PolarHBondContact O-N 3.22Å; I425-E427 VanDerWaalsContact C-N 3.31Å; I425-E427 PolarHBondContact O-N 3.45Å
426R86.7Confident82.4Confident109 Ų10978.6 Ų78.641%0.41141%0.41SS..THydrogen-bonded Turntrans-9219.2-178.6-71.6-165.7171.5-171.8-4.6114.4Y422 V424 S428 R429 L430Y422-R426 HydrophobicContact CE2-CG 4.39Å; Y422-R426 PolarHBondContact O-N 3.15Å; Y422-R426 VanDerWaalsContact O-N 3.14Å; Y422-R426 PolarHBondContact OH-NH1 3.12Å; V424-R426 PolarHBondContact O-N 3.33Å; R426-S428 PolarHBondContact O-N 3.36Å; R426-R429 PolarHBondContact O-N 2.96Å; R426-L430 HydrophobicContact CB-CD1 4.16Å; R426-L430 HydrophobicContact CB-CG 4.34Å; R426-L430 WeakPolarHBondContact O-CG 3.43Å; R426-L430 PolarHBondContact O-N 2.84Å
427E85.3Confident81.8Confident25 Ų2583.5 Ų83.512%0.11744%0.436CS..Hα-helixtrans-53-46.2-175.4171.2169.3168.600113.7L423 V424 I425 R429 L430 M431 F444 R447 Y448L423-E427 PolarHBondContact O-N 3.06Å; V424-E427 VanDerWaalsContact O-CB 3.3Å; V424-E427 WeakPolarHBondContact O-CB 2.95Å; V424-E427 PolarHBondContact O-N 2.96Å; I425-E427 VanDerWaalsContact C-N 3.31Å; I425-E427 PolarHBondContact O-N 3.45Å; E427-R429 PolarHBondContact O-N 3.49Å; E427-L430 PolarHBondContact O-N 3.17Å; E427-M431 HydrophobicContact CG-CE 3.34Å; E427-M431 WeakPolarHBondContact O-CB 3.43Å; E427-M431 WeakPolarHBondContact O-CG 3.22Å; E427-M431 PolarHBondContact O-N 3.4Å; E427-M431 WeakPolarHBondContact OE1-CE 3.26Å; E427-F444 HydrophobicContact CG-CZ 4.2Å; E427-R447 IonicContact OE1-CZ 3.36Å; E427-R447 IonicContact OE1-NE 2.77Å; E427-R447 IonicContact OE1-NH2 3.52Å; E427-R447 PolarHBondContact OE1-NH2 3.43Å; E427-R447 IonicContact OE2-CZ 3.49Å; E427-R447 IonicContact OE2-NE 3.41Å; E427-R447 PolarHBondContact OE2-NE 3.23Å; E427-R447 IonicContact OE2-NH2 3.45Å; E427-R447 PolarHBondContact OE2-NH2 2.99Å; E427-Y448 PolarHBondContact OE2-OH 2.96Å
428S80.9Confident81.3Confident98 Ų9890.2 Ų90.269%0.68547%0.466SS*.Hα-helixtrans-65.2-40.4-178.354.40000113.2R426 A432R426-S428 PolarHBondContact O-N 3.36Å; S428-A432 PolarHBondContact O-N 3.31Å
429R81.2Confident80.8Confident165 Ų16593.1 Ų93.162%0.62348%0.475SS*.Hα-helixtrans-72.2-38.3179.7-172.8176.4179.3167.91.4111.8R426 E427 A432 Q433R426-R429 PolarHBondContact O-N 2.96Å; E427-R429 PolarHBondContact O-N 3.49Å; R429-A432 PolarHBondContact O-N 3.26Å; R429-Q433 PolarHBondContact O-N 2.79Å
430L77.1Confident80.5Confident23 Ų2393.4 Ų93.412%0.1247%0.466CS..Hα-helixtrans-73.8-35.8179.8-71173.1000112.3L423 R426 E427 A432 Q433 F440 F444L423-L430 HydrophobicContact CD2-CD1 3.91Å; R426-L430 HydrophobicContact CB-CD1 4.16Å; R426-L430 HydrophobicContact CB-CG 4.34Å; R426-L430 WeakPolarHBondContact O-CG 3.43Å; R426-L430 PolarHBondContact O-N 2.84Å; E427-L430 PolarHBondContact O-N 3.17Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 2.93Å; L430-Q433 PolarHBondContact O-N 2.94Å; L430-F440 HydrophobicContact CD1-CZ 4.09Å; L430-F440 HydrophobicContact CD2-CE1 4.09Å; L430-F440 HydrophobicContact CD2-CZ 3.82Å; L430-F444 HydrophobicContact CB-CD2 4.26Å; L430-F444 HydrophobicContact CB-CE2 3.73Å; L430-F444 HydrophobicContact CB-CZ 4.24Å; L430-F444 HydrophobicContact CD1-CD2 4.19Å; L430-F444 HydrophobicContact CD1-CE2 4.01Å
431M74.8Confident80.1Confident105 Ų10597 Ų9752%0.51749%0.485SS..Hα-helixtrans-64.3-36.5171.8-79.2-163-86.600112.6E427 Q433 F444E427-M431 HydrophobicContact CG-CE 3.34Å; E427-M431 WeakPolarHBondContact O-CB 3.43Å; E427-M431 WeakPolarHBondContact O-CG 3.22Å; E427-M431 PolarHBondContact O-N 3.4Å; E427-M431 WeakPolarHBondContact OE1-CE 3.26Å; M431-Q433 VanDerWaalsContact C-N 3.29Å; M431-Q433 PolarHBondContact O-N 3.15Å; M431-F444 HydrophobicContact CG-CE1 3.58Å; M431-F444 HydrophobicContact CG-CZ 3.62Å
432A70.1Confident79.7Confident86 Ų8699.9 Ų99.971%0.71150%0.498SS*.Hα-helixtrans-70-28.1176.800000112.7S428 R429 L430 K434S428-A432 PolarHBondContact O-N 3.31Å; R429-A432 PolarHBondContact O-N 3.26Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 2.93Å; A432-K434 PolarHBondContact O-N 3.32Å
433Q69.9Low79.4Confident106 Ų10697 Ų9750%0.49549%0.492SS..SBendtrans-86.791.7177.5-162.9176.4-10.900108.9R429 L430 M431 N435R429-Q433 PolarHBondContact O-N 2.79Å; L430-Q433 PolarHBondContact O-N 2.94Å; M431-Q433 VanDerWaalsContact C-N 3.29Å; M431-Q433 PolarHBondContact O-N 3.15Å; Q433-N435 VanDerWaalsContact C-N 3.34Å; Q433-N435 WeakPolarHBondContact CG-OD1 3.32Å; Q433-N435 PolarHBondContact O-N 3.17Å
434K63.6Low79.3Confident177 Ų17797.3 Ų97.377%0.7749%0.493SS*.  trans-57.898.2170.6-80.7-173.2175.2-1770109A432A432-K434 PolarHBondContact O-N 3.32Å
435N61.3Low79.1Confident42 Ų4298.1 Ų98.123%0.22550%0.503CS..  trans-93124.7175.9-77.1-18.3000108.5Q433 N437 F440 N441Q433-N435 VanDerWaalsContact C-N 3.34Å; Q433-N435 WeakPolarHBondContact CG-OD1 3.32Å; Q433-N435 PolarHBondContact O-N 3.17Å; N435-N437 PolarHBondContact O-N 3.05Å; N435-F440 HydrophobicContact CB-CD1 4.26Å; N435-F440 WeakPolarHBondContact ND2-CD1 3.36Å; N435-F440 WeakPolarHBondContact ND2-CE1 3.43Å; N435-N441 PolarHBondContact O-ND2 2.8Å; N435-N441 PolarHBondContact O-OD1 2.87Å
436D61.5Low78.9Confident152 Ų15292.7 Ų92.781%0.81348%0.479SS*.  trans-76.5-6.8178.8-63.4-24.4000112.6E438D436-E438 PolarHBondContact O-N 2.85Å; D436-E438 VanDerWaalsContact O-N 3.15Å
437N80.1Confident79.1Confident117 Ų11788.6 Ų88.663%0.62646%0.464SS*.  trans-76.1104.4179.6-70.8-6.4000111.1N435 I439 F440 N441N435-N437 PolarHBondContact O-N 3.05Å; N437-I439 VanDerWaalsContact C-N 3.29Å; N437-I439 PolarHBondContact O-N 3.19Å; N437-F440 HydrophobicContact CB-CB 4.05Å; N437-F440 WeakPolarHBondContact O-CB 3.27Å; N437-F440 PolarHBondContact O-N 3.16Å; N437-N441 PolarHBondContact O-N 3.47Å; N437-N441 VanDerWaalsContact O-N 3.1Å
438E83.1Confident79.4Confident165 Ų16589.4 Ų89.477%0.77147%0.466SS*.Hα-helixtrans-52.8-42.8179-65.4-178.4174.700113.4D436 F440 N441 M442D436-E438 PolarHBondContact O-N 2.85Å; D436-E438 VanDerWaalsContact O-N 3.15Å; E438-F440 VanDerWaalsContact C-N 3.29Å; E438-F440 PolarHBondContact O-N 3.04Å; E438-N441 PolarHBondContact O-N 3.4Å; E438-N441 VanDerWaalsContact O-N 3.16Å; E438-M442 PolarHBondContact O-N 2.98Å
439I83.9Confident79.9Confident140 Ų14085.2 Ų85.272%0.71844%0.436SS*.Hα-helixtrans-60-41.8178.8-60.2173.8000110.7N437 M442 V443N437-I439 VanDerWaalsContact C-N 3.29Å; N437-I439 PolarHBondContact O-N 3.19Å; I439-M442 PolarHBondContact O-N 3.35Å; I439-V443 WeakPolarHBondContact O-CG2 3.39Å; I439-V443 PolarHBondContact O-N 2.92Å
440F85.3Confident80.4Confident63 Ų6379.2 Ų79.228%0.27642%0.416SS..Hα-helixtrans-68.3-38.8179.2-172.4-95.6000111.1L423 L430 N435 N437 E438 M442 V443 F444L423-F440 HydrophobicContact CD2-CE2 4.14Å; L423-F440 HydrophobicContact CD2-CZ 4.06Å; L430-F440 HydrophobicContact CD1-CZ 4.09Å; L430-F440 HydrophobicContact CD2-CE1 4.09Å; L430-F440 HydrophobicContact CD2-CZ 3.82Å; N435-F440 HydrophobicContact CB-CD1 4.26Å; N435-F440 WeakPolarHBondContact ND2-CD1 3.36Å; N435-F440 WeakPolarHBondContact ND2-CE1 3.43Å; N437-F440 HydrophobicContact CB-CB 4.05Å; N437-F440 WeakPolarHBondContact O-CB 3.27Å; N437-F440 PolarHBondContact O-N 3.16Å; E438-F440 VanDerWaalsContact C-N 3.29Å; E438-F440 PolarHBondContact O-N 3.04Å; F440-M442 VanDerWaalsContact C-N 3.35Å; F440-M442 PolarHBondContact O-N 2.96Å; F440-V443 PolarHBondContact O-N 3.22Å; F440-F444 VanDerWaalsContact O-CB 3.22Å; F440-F444 WeakPolarHBondContact O-CB 3.4Å; F440-F444 PolarHBondContact O-N 3.25Å
441N84.3Confident81.2Confident76 Ų7679.9 Ų79.941%0.40642%0.419SS..Hα-helixtrans-63.6-40.5176.6-67.7-20.6000111.7N435 N437 E438 F444 A445N435-N441 PolarHBondContact O-ND2 2.8Å; N435-N441 PolarHBondContact O-OD1 2.87Å; N437-N441 PolarHBondContact O-N 3.47Å; N437-N441 VanDerWaalsContact O-N 3.1Å; E438-N441 PolarHBondContact O-N 3.4Å; E438-N441 VanDerWaalsContact O-N 3.16Å; N441-F444 PolarHBondContact O-N 3.5Å; N441-A445 WeakPolarHBondContact O-CB 3.49Å; N441-A445 PolarHBondContact O-N 3.13Å
442M84.9Confident82.2Confident146 Ų14676.3 Ų76.372%0.71940%0.402SS*.Hα-helixtrans-63.2-46.9175-169.4-178.5-171.400111.9E438 I439 F440 F444 A445 G446E438-M442 PolarHBondContact O-N 2.98Å; I439-M442 PolarHBondContact O-N 3.35Å; F440-M442 VanDerWaalsContact C-N 3.35Å; F440-M442 PolarHBondContact O-N 2.96Å; M442-F444 VanDerWaalsContact C-N 3.32Å; M442-F444 PolarHBondContact O-N 3.25Å; M442-A445 PolarHBondContact O-N 2.92Å; M442-G446 PolarHBondContact O-N 3.32Å; M442-G446 VanDerWaalsContact O-N 3.1Å
443V86.1Confident83.3Confident57 Ų5772.6 Ų72.635%0.34537%0.37SS..Hα-helixtrans-64.1-38.5177.5171.90000111.3L423 I439 F440 G446 R447 I450L423-V443 HydrophobicContact CD1-CG1 3.81Å; I439-V443 WeakPolarHBondContact O-CG2 3.39Å; I439-V443 PolarHBondContact O-N 2.92Å; F440-V443 PolarHBondContact O-N 3.22Å; V443-G446 CarbonylContact O-C 3.44Å; V443-G446 PolarHBondContact O-N 3.47Å; V443-R447 PolarHBondContact O-N 3.05Å; V443-I450 HydrophobicContact CG1-CD1 3.77Å
444F86.3Confident84.4Confident26 Ų2667.5 Ų67.511%0.11435%0.346CS..Hα-helixtrans-68.1-39.9178.6-175.3-101.8000112.6E427 L430 M431 F440 N441 M442 G446 R447E427-F444 HydrophobicContact CG-CZ 4.2Å; L430-F444 HydrophobicContact CB-CD2 4.26Å; L430-F444 HydrophobicContact CB-CE2 3.73Å; L430-F444 HydrophobicContact CB-CZ 4.24Å; L430-F444 HydrophobicContact CD1-CD2 4.19Å; L430-F444 HydrophobicContact CD1-CE2 4.01Å; M431-F444 HydrophobicContact CG-CE1 3.58Å; M431-F444 HydrophobicContact CG-CZ 3.62Å; F440-F444 VanDerWaalsContact O-CB 3.22Å; F440-F444 WeakPolarHBondContact O-CB 3.4Å; F440-F444 PolarHBondContact O-N 3.25Å; N441-F444 PolarHBondContact O-N 3.5Å; M442-F444 VanDerWaalsContact C-N 3.32Å; M442-F444 PolarHBondContact O-N 3.25Å; F444-G446 VanDerWaalsContact C-N 3.26Å; F444-G446 PolarHBondContact O-N 3.03Å; F444-R447 WeakPolarHBondContact O-CB 3.37Å; F444-R447 WeakPolarHBondContact O-CG 3.31Å; F444-R447 PolarHBondContact O-N 3.01Å; F444-R447 PolarHBondContact O-NH1 3.03Å
445A84.3Confident85.9Confident55 Ų5562.6 Ų62.646%0.45533%0.327SS..Hα-helixtrans-61.8-36.4172.300000111.6N441 M442 R447N441-A445 WeakPolarHBondContact O-CB 3.49Å; N441-A445 PolarHBondContact O-N 3.13Å; M442-A445 PolarHBondContact O-N 2.92Å; A445-R447 PolarHBondContact O-N 3.48Å
446G86Confident87.6Confident14 Ų1462.7 Ų62.714%0.14433%0.326CS..THydrogen-bonded Turntrans-86.111178.500000116.4M442 V443 F444 Y448 I449 I450M442-G446 PolarHBondContact O-N 3.32Å; M442-G446 VanDerWaalsContact O-N 3.1Å; V443-G446 CarbonylContact O-C 3.44Å; V443-G446 PolarHBondContact O-N 3.47Å; F444-G446 VanDerWaalsContact C-N 3.26Å; F444-G446 PolarHBondContact O-N 3.03Å; G446-Y448 VanDerWaalsContact C-N 3.32Å; G446-Y448 PolarHBondContact O-N 3Å; G446-Y448 VanDerWaalsContact O-N 3.16Å; G446-I449 WeakPolarHBondContact O-CA 3.41Å; G446-I449 VanDerWaalsContact O-CB 3.3Å; G446-I449 WeakPolarHBondContact O-CB 3.25Å; G446-I449 PolarHBondContact O-N 3.17Å; G446-I450 PolarHBondContact O-N 3.43Å; G446-I450 VanDerWaalsContact O-N 3.13Å
447R90.9Very high89.2Confident23 Ų2355.4 Ų55.49%0.08729%0.287CS..Hα-helixtrans-53.9-40.9-169.966.4-173.6174.8-74.80.7115L423 V424 E427 V443 F444 A445 I449 L451L423-R447 HydrophobicContact CB-CB 4.33Å; V424-R447 HydrophobicContact CG2-CB 4.19Å; V424-R447 HydrophobicContact CG2-CG 4.09Å; E427-R447 IonicContact OE1-CZ 3.36Å; E427-R447 IonicContact OE1-NE 2.77Å; E427-R447 IonicContact OE1-NH2 3.52Å; E427-R447 PolarHBondContact OE1-NH2 3.43Å; E427-R447 IonicContact OE2-CZ 3.49Å; E427-R447 IonicContact OE2-NE 3.41Å; E427-R447 PolarHBondContact OE2-NE 3.23Å; E427-R447 IonicContact OE2-NH2 3.45Å; E427-R447 PolarHBondContact OE2-NH2 2.99Å; V443-R447 PolarHBondContact O-N 3.05Å; F444-R447 WeakPolarHBondContact O-CB 3.37Å; F444-R447 WeakPolarHBondContact O-CG 3.31Å; F444-R447 PolarHBondContact O-N 3.01Å; F444-R447 PolarHBondContact O-NH1 3.03Å; A445-R447 PolarHBondContact O-N 3.48Å; R447-I449 VanDerWaalsContact C-N 3.33Å; R447-L451 WeakPolarHBondContact O-CB 3.3Å; R447-L451 PolarHBondContact O-N 3.38Å; R447-L451 VanDerWaalsContact O-N 3.1Å
448Y90.9Very high89.8Confident42 Ų4253.3 Ų53.317%0.16527%0.274CS..Hα-helixtrans-72.8-27.3179-62.5-66.7000112.9K369 F370 V424 E427 G446 L452K369-Y448 WeakPolarHBondContact O-CD2 3.49Å; K369-Y448 VanDerWaalsContact O-CE2 3.27Å; K369-Y448 WeakPolarHBondContact O-CE2 3.43Å; F370-Y448 AromaticContact CD2-CD1 3.88Å; F370-Y448 HydrophobicContact CD2-CD1 3.88Å; F370-Y448 HydrophobicContact CD2-CD2 4.38Å; F370-Y448 AromaticContact CD2-CG 3.74Å; F370-Y448 HydrophobicContact CD2-CG 3.74Å; F370-Y448 HydrophobicContact CE2-CD1 4.46Å; F370-Y448 HydrophobicContact CE2-CG 4.37Å; V424-Y448 HydrophobicContact CG1-CE1 4.26Å; V424-Y448 HydrophobicContact CG2-CD1 4.37Å; V424-Y448 HydrophobicContact CG2-CE1 4.26Å; E427-Y448 PolarHBondContact OE2-OH 2.96Å; G446-Y448 VanDerWaalsContact C-N 3.32Å; G446-Y448 PolarHBondContact O-N 3Å; G446-Y448 VanDerWaalsContact O-N 3.16Å; Y448-L452 PolarHBondContact O-N 3.14Å; Y448-L452 VanDerWaalsContact O-N 3.11Å
449I92.1Very high90.3Very high9 Ų951.4 Ų51.45%0.04626%0.261CS..Hα-helixtrans-69.8-49.4177.6-50.8176.9000109F374 I377 F399 G446 R447 L451 L452 M453 F800F374-I449 HydrophobicContact CD1-CD1 4.48Å; F374-I449 HydrophobicContact CD1-CG1 4.21Å; F374-I449 HydrophobicContact CD2-CG1 4.25Å; F374-I449 HydrophobicContact CE1-CB 4.29Å; F374-I449 HydrophobicContact CE1-CG1 3.88Å; F374-I449 HydrophobicContact CE1-CG2 3.95Å; F374-I449 HydrophobicContact CE2-CG1 3.93Å; F374-I449 HydrophobicContact CG-CG1 4.39Å; F374-I449 HydrophobicContact CZ-CB 4.12Å; F374-I449 HydrophobicContact CZ-CG1 3.74Å; F374-I449 HydrophobicContact CZ-CG2 4.21Å; I377-I449 HydrophobicContact CD1-CD1 3.5Å; F399-I449 HydrophobicContact CD1-CG2 4.09Å; F399-I449 HydrophobicContact CE1-CG2 3.74Å; G446-I449 WeakPolarHBondContact O-CA 3.41Å; G446-I449 VanDerWaalsContact O-CB 3.3Å; G446-I449 WeakPolarHBondContact O-CB 3.25Å; G446-I449 PolarHBondContact O-N 3.17Å; R447-I449 VanDerWaalsContact C-N 3.33Å; I449-L451 VanDerWaalsContact C-N 3.26Å; I449-L451 PolarHBondContact O-N 3.47Å; I449-L452 PolarHBondContact O-N 3.16Å; I449-M453 HydrophobicContact CG2-CG 4.46Å; I449-M453 HydrophobicContact CG2-SD 3.8Å; I449-M453 WeakPolarHBondContact O-CB 3.41Å; I449-M453 VanDerWaalsContact O-CG 3.25Å; I449-M453 WeakPolarHBondContact O-CG 3.27Å; I449-M453 PolarHBondContact O-N 3.46Å; I449-F800 HydrophobicContact CG2-CE2 4.37Å
450I92.5Very high90.7Very high40 Ų4045.1 Ų45.121%0.20523%0.229CC..Hα-helixtrans-62-37.7177.8-56.5171.5000110.4M416 A420 V443 G446 M453 G454M416-I450 HydrophobicContact CG-CG2 3.67Å; M416-I450 HydrophobicContact SD-CG2 4.25Å; A420-I450 HydrophobicContact CB-CB 4.17Å; A420-I450 HydrophobicContact CB-CG2 3.91Å; V443-I450 HydrophobicContact CG1-CD1 3.77Å; G446-I450 PolarHBondContact O-N 3.43Å; G446-I450 VanDerWaalsContact O-N 3.13Å; I450-M453 PolarHBondContact O-N 3.25Å; I450-G454 PolarHBondContact O-N 3.02Å
451L94Very high91Very high37 Ų3742.1 Ų42.119%0.19422%0.216CC..Hα-helixtrans-59.9-49.9175.5-176.369000111.8T417 A420 L421 R447 I449 G454 I455T417-L451 HydrophobicContact CG2-CD1 4.19Å; A420-L451 HydrophobicContact CB-CB 3.93Å; A420-L451 HydrophobicContact CB-CD1 4.11Å; L421-L451 HydrophobicContact CB-CD1 4.39Å; R447-L451 WeakPolarHBondContact O-CB 3.3Å; R447-L451 PolarHBondContact O-N 3.38Å; R447-L451 VanDerWaalsContact O-N 3.1Å; I449-L451 VanDerWaalsContact C-N 3.26Å; I449-L451 PolarHBondContact O-N 3.47Å; L451-G454 PolarHBondContact O-N 3.17Å; L451-I455 HydrophobicContact CG-CD1 4.26Å; L451-I455 WeakPolarHBondContact O-CG1 3.48Å; L451-I455 PolarHBondContact O-N 3.19Å; L451-I455 VanDerWaalsContact O-N 3.11Å
452L94.3Very high91.3Very high29 Ų2941.4 Ų41.415%0.15221%0.212CC..Hα-helixtrans-64.8-42.1177.7-77.6177.9000111.8F370 F374 I396 P400 Y448 I449 G454 I455 F456F370-L452 HydrophobicContact CE2-CD1 4.12Å; F370-L452 HydrophobicContact CZ-CD1 3.64Å; F374-L452 HydrophobicContact CE2-CD1 4.12Å; F374-L452 HydrophobicContact CZ-CD1 3.7Å; I396-L452 HydrophobicContact CG2-CD1 4.2Å; P400-L452 HydrophobicContact CB-CB 3.95Å; P400-L452 HydrophobicContact CG-CB 3.77Å; P400-L452 HydrophobicContact CG-CD1 4.37Å; Y448-L452 PolarHBondContact O-N 3.14Å; Y448-L452 VanDerWaalsContact O-N 3.11Å; I449-L452 PolarHBondContact O-N 3.16Å; L452-G454 VanDerWaalsContact C-N 3.28Å; L452-G454 PolarHBondContact O-N 3.36Å; L452-I455 PolarHBondContact O-N 3.5Å; L452-F456 HydrophobicContact CB-CD2 4.44Å; L452-F456 HydrophobicContact CD2-CE2 4.31Å; L452-F456 WeakPolarHBondContact O-CD2 3.41Å; L452-F456 PolarHBondContact O-N 3.19Å
453M93.9Very high91.7Very high8 Ų836.8 Ų36.84%0.03919%0.19CC..Hα-helixtrans-57.2-42.4175.5-73.6164.866.500111.6F399 P400 F403 M416 I449 I450 S457 F800F399-M453 HydrophobicContact CE1-SD 4.16Å; P400-M453 HydrophobicContact CB-CG 4.09Å; P400-M453 HydrophobicContact CG-CG 4.44Å; F403-M453 HydrophobicContact CB-CE 4.47Å; F403-M453 HydrophobicContact CB-CG 4.43Å; F403-M453 HydrophobicContact CD1-CB 3.62Å; F403-M453 HydrophobicContact CD1-CE 3.53Å; F403-M453 HydrophobicContact CD1-CG 3.69Å; F403-M453 HydrophobicContact CD1-SD 4.44Å; F403-M453 HydrophobicContact CD2-CE 3.41Å; F403-M453 VanDerWaalsContact CD2-CE 3.41Å; F403-M453 HydrophobicContact CE1-CB 3.76Å; F403-M453 HydrophobicContact CE1-CE 3.46Å; F403-M453 VanDerWaalsContact CE1-CE 3.46Å; F403-M453 HydrophobicContact CE1-CG 4.2Å; F403-M453 HydrophobicContact CE2-CE 3.3Å; F403-M453 HydrophobicContact CG-CB 4.48Å; F403-M453 HydrophobicContact CG-CE 3.5Å; F403-M453 VanDerWaalsContact CG-CE 3.5Å; F403-M453 HydrophobicContact CG-CG 4.07Å; F403-M453 HydrophobicContact CG-SD 4.49Å; F403-M453 HydrophobicContact CZ-CE 3.33Å; M416-M453 HydrophobicContact CE-CB 4.15Å; M416-M453 HydrophobicContact SD-CB 4.48Å; I449-M453 HydrophobicContact CG2-CG 4.46Å; I449-M453 HydrophobicContact CG2-SD 3.8Å; I449-M453 WeakPolarHBondContact O-CB 3.41Å; I449-M453 VanDerWaalsContact O-CG 3.25Å; I449-M453 WeakPolarHBondContact O-CG 3.27Å; I449-M453 PolarHBondContact O-N 3.46Å; I450-M453 PolarHBondContact O-N 3.25Å; M453-S457 WeakPolarHBondContact O-CB 3.45Å; M453-S457 PolarHBondContact O-N 3.44Å; M453-F800 HydrophobicContact CE-CB 4.24Å; M453-F800 HydrophobicContact CE-CD2 3.72Å; M453-F800 HydrophobicContact CE-CG 4.47Å; M453-F800 HydrophobicContact SD-CD2 3.85Å; M453-F800 HydrophobicContact SD-CE2 4.28Å
454G94.2Very high91.9Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-62.4-47.3176.700000112.8T417 I450 L451 L452 S457 M458T417-G454 VanDerWaalsContact OG1-CA 3.23Å; T417-G454 WeakPolarHBondContact OG1-CA 3.42Å; T417-G454 PolarHBondContact OG1-O 3.27Å; I450-G454 PolarHBondContact O-N 3.02Å; L451-G454 PolarHBondContact O-N 3.17Å; L452-G454 VanDerWaalsContact C-N 3.28Å; L452-G454 PolarHBondContact O-N 3.36Å; G454-S457 PolarHBondContact O-N 3.33Å; G454-M458 WeakPolarHBondContact O-CB 3.22Å; G454-M458 PolarHBondContact O-N 3.1Å
455I95.2Very high92.1Very high73 Ų7333.8 Ų33.837%0.37417%0.172SC..Hα-helixtrans-64.7-44.3179.6-65.6169.1000111T417 L451 L452 M458 Y459T417-I455 HydrophobicContact CG2-CG1 4.13Å; T417-I455 PolarHBondContact OG1-N 3.03Å; L451-I455 HydrophobicContact CG-CD1 4.26Å; L451-I455 WeakPolarHBondContact O-CG1 3.48Å; L451-I455 PolarHBondContact O-N 3.19Å; L451-I455 VanDerWaalsContact O-N 3.11Å; L452-I455 PolarHBondContact O-N 3.5Å; I455-M458 WeakPolarHBondContact O-CB 3.32Å; I455-M458 PolarHBondContact O-N 3.04Å; I455-Y459 PolarHBondContact O-N 3.45Å; I455-Y459 VanDerWaalsContact O-N 3.08Å
456F95.4Very high92.3Very high44 Ų4431.8 Ų31.819%0.19315%0.154CC..Hα-helixtrans-68.6-36.6177.2-78.3-67.1000112.1I397 P400 F401 A404 L452 M458 Y459 T460I397-F456 HydrophobicContact CD1-CE2 4.5Å; I397-F456 HydrophobicContact CD1-CZ 4.37Å; I397-F456 HydrophobicContact CG2-CZ 4.12Å; P400-F456 HydrophobicContact CB-CD2 3.51Å; P400-F456 HydrophobicContact CB-CE2 4.05Å; P400-F456 HydrophobicContact CB-CG 4.41Å; F401-F456 HydrophobicContact CD2-CD1 4.34Å; A404-F456 HydrophobicContact CB-CB 3.57Å; A404-F456 WeakPolarHBondContact CB-O 3.49Å; L452-F456 HydrophobicContact CB-CD2 4.44Å; L452-F456 HydrophobicContact CD2-CE2 4.31Å; L452-F456 WeakPolarHBondContact O-CD2 3.41Å; L452-F456 PolarHBondContact O-N 3.19Å; F456-M458 VanDerWaalsContact C-N 3.32Å; F456-M458 PolarHBondContact O-N 3.01Å; F456-Y459 WeakPolarHBondContact O-CB 3.45Å; F456-Y459 PolarHBondContact O-N 2.93Å; F456-T460 PolarHBondContact O-N 3.07Å; F456-T460 PolarHBondContact O-OG1 3.24Å
457S94.7Very high92.5Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-63.2-38.2174.2175.70000111.8F407 G413 M453 G454 T460 G461F407-S457 WeakPolarHBondContact O-CB 3.49Å; F407-S457 PolarHBondContact O-OG 3.37Å; G413-S457 WeakPolarHBondContact CA-OG 3.47Å; M453-S457 WeakPolarHBondContact O-CB 3.45Å; M453-S457 PolarHBondContact O-N 3.44Å; G454-S457 PolarHBondContact O-N 3.33Å; S457-T460 WeakPolarHBondContact CA-OG1 3.33Å; S457-T460 PolarHBondContact O-N 3.39Å; S457-T460 PolarHBondContact O-OG1 3.06Å; S457-G461 WeakPolarHBondContact O-CA 3.31Å; S457-G461 PolarHBondContact O-N 3.49Å
458M93.7Very high92.3Very high72 Ų7234.3 Ų34.336%0.35517%0.165SC..Hα-helixtrans-61.5-44.2171.7-170.6-176.260.300111.2L410 G454 I455 F456 G461 L462L410-M458 HydrophobicContact CD1-CB 4.39Å; L410-M458 HydrophobicContact CD1-CG 3.4Å; L410-M458 VanDerWaalsContact CD1-CG 3.4Å; G454-M458 WeakPolarHBondContact O-CB 3.22Å; G454-M458 PolarHBondContact O-N 3.1Å; I455-M458 WeakPolarHBondContact O-CB 3.32Å; I455-M458 PolarHBondContact O-N 3.04Å; F456-M458 VanDerWaalsContact C-N 3.32Å; F456-M458 PolarHBondContact O-N 3.01Å; M458-G461 PolarHBondContact O-N 3.26Å; M458-L462 WeakPolarHBondContact O-CG 3.43Å; M458-L462 PolarHBondContact O-N 3.4Å; M458-L462 VanDerWaalsContact O-N 3.11Å
459Y94Very high92Very high126 Ų12632.6 Ų32.649%0.49416%0.159SC..Hα-helixtrans-63-50176.1169.3-101.6000112.5I455 F456 G461 L462 I463I455-Y459 PolarHBondContact O-N 3.45Å; I455-Y459 VanDerWaalsContact O-N 3.08Å; F456-Y459 WeakPolarHBondContact O-CB 3.45Å; F456-Y459 PolarHBondContact O-N 2.93Å; Y459-G461 VanDerWaalsContact C-N 3.31Å; Y459-G461 PolarHBondContact O-N 3.1Å; Y459-L462 WeakPolarHBondContact O-CB 3.42Å; Y459-L462 PolarHBondContact O-N 3.16Å; Y459-I463 HydrophobicContact CE1-CG1 4.22Å; Y459-I463 HydrophobicContact CE2-CD1 4.34Å; Y459-I463 HydrophobicContact CE2-CG1 4.29Å; Y459-I463 WeakPolarHBondContact O-CG1 3.43Å; Y459-I463 PolarHBondContact O-N 3.14Å; Y459-I463 VanDerWaalsContact O-N 3.14Å
460T92Very high91.7Very high7 Ų736.9 Ų36.94%0.04318%0.177CC..Hα-helixtrans-68-32.417955.90000112.2A404 V405 F456 S457 L462 I463 Y464A404-T460 HydrophobicContact CB-CG2 3.67Å; A404-T460 WeakPolarHBondContact O-CB 3.47Å; A404-T460 PolarHBondContact O-OG1 3.35Å; V405-T460 HydrophobicContact CG2-CG2 4.36Å; F456-T460 PolarHBondContact O-N 3.07Å; F456-T460 PolarHBondContact O-OG1 3.24Å; S457-T460 WeakPolarHBondContact CA-OG1 3.33Å; S457-T460 PolarHBondContact O-N 3.39Å; S457-T460 PolarHBondContact O-OG1 3.06Å; T460-L462 VanDerWaalsContact C-N 3.32Å; T460-L462 PolarHBondContact O-N 3.5Å; T460-I463 PolarHBondContact O-N 3.43Å; T460-I463 VanDerWaalsContact O-N 3.14Å; T460-Y464 PolarHBondContact O-N 2.83Å
461G91.9Very high91.5Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-59.7-39.5171.500000112.7S457 M458 Y459 N465 D466S457-G461 WeakPolarHBondContact O-CA 3.31Å; S457-G461 PolarHBondContact O-N 3.49Å; M458-G461 PolarHBondContact O-N 3.26Å; Y459-G461 VanDerWaalsContact C-N 3.31Å; Y459-G461 PolarHBondContact O-N 3.1Å; G461-N465 WeakPolarHBondContact O-CA 3.45Å; G461-N465 PolarHBondContact O-N 3.27Å; G461-D466 PolarHBondContact O-N 2.94Å
462L91.1Very high91Very high61 Ų6138 Ų3832%0.31919%0.186SC..Hα-helixtrans-66.5-39.2171.5-69.8172.2000112.4L410 M458 Y459 T460 N465 M474L410-L462 HydrophobicContact CD1-CD2 3.93Å; L410-L462 HydrophobicContact CD1-CG 3.91Å; L410-L462 HydrophobicContact CD2-CD2 3.98Å; M458-L462 WeakPolarHBondContact O-CG 3.43Å; M458-L462 PolarHBondContact O-N 3.4Å; M458-L462 VanDerWaalsContact O-N 3.11Å; Y459-L462 WeakPolarHBondContact O-CB 3.42Å; Y459-L462 PolarHBondContact O-N 3.16Å; T460-L462 VanDerWaalsContact C-N 3.32Å; T460-L462 PolarHBondContact O-N 3.5Å; L462-N465 PolarHBondContact O-N 2.96Å; L462-M474 HydrophobicContact CD2-CE 4.49Å
463I91.9Very high90.6Very high50 Ų5041.7 Ų41.726%0.25621%0.206SC..Hα-helixtrans-66.3-42.3177.5-63.5-62.9000111.2Y459 T460 N465 I517 G518 I519Y459-I463 HydrophobicContact CE1-CG1 4.22Å; Y459-I463 HydrophobicContact CE2-CD1 4.34Å; Y459-I463 HydrophobicContact CE2-CG1 4.29Å; Y459-I463 WeakPolarHBondContact O-CG1 3.43Å; Y459-I463 PolarHBondContact O-N 3.14Å; Y459-I463 VanDerWaalsContact O-N 3.14Å; T460-I463 PolarHBondContact O-N 3.43Å; T460-I463 VanDerWaalsContact O-N 3.14Å; I463-N465 PolarHBondContact O-N 3.17Å; I463-I517 HydrophobicContact CD1-CG2 4.35Å; I463-G518 CarbonylContact O-C 3.59Å; I463-G518 WeakPolarHBondContact O-CA 3.48Å; I463-I519 PolarHBondContact O-N 3.13Å
464Y90.6Very high90Very high9 Ų946.5 Ų46.54%0.03523%0.23CC..Hα-helixtrans-73.8-17.8173.8-66.6-22.2000113.2V405 T460 D466 I519 F536 M540 S746V405-Y464 PolarHBondContact O-OH 3.24Å; T460-Y464 PolarHBondContact O-N 2.83Å; Y464-D466 VanDerWaalsContact C-N 3.3Å; Y464-I519 HydrophobicContact CD1-CD1 4.45Å; Y464-F536 HydrophobicContact CE1-CE1 4.37Å; Y464-M540 HydrophobicContact CE1-CE 3.79Å; Y464-M540 WeakPolarHBondContact OH-CE 3.36Å; Y464-S746 WeakPolarHBondContact CE2-OG 3.42Å
465N90.1Very high89.3Confident10 Ų1052 Ų525%0.05326%0.255CS..THydrogen-bonded Turntrans56.344.8-174.5-162.47.6000112.1G461 L462 I463 S471 L472 I519 P521G461-N465 WeakPolarHBondContact O-CA 3.45Å; G461-N465 PolarHBondContact O-N 3.27Å; L462-N465 PolarHBondContact O-N 2.96Å; I463-N465 PolarHBondContact O-N 3.17Å; N465-S471 VanDerWaalsContact O-CA 3.3Å; N465-S471 WeakPolarHBondContact O-CA 3.34Å; N465-S471 WeakPolarHBondContact O-CB 3.36Å; N465-L472 PolarHBondContact ND2-O 2.96Å; N465-L472 VanDerWaalsContact ND2-O 3.11Å; N465-L472 WeakPolarHBondContact OD1-CB 3.32Å; N465-L472 PolarHBondContact OD1-N 3.42Å; N465-L472 PolarHBondContact OD1-O 3.27Å; N465-I519 WeakPolarHBondContact CB-O 3.49Å; N465-I519 PolarHBondContact ND2-O 3.19Å; N465-P521 WeakPolarHBondContact ND2-CG 3.49Å
466D88.3Confident88.6Confident13 Ų1350.2 Ų50.27%0.0725%0.254CS..  trans-120.5122.5177.2-84.5-30.1000109.5L410 G461 Y464L410-D466 PolarHBondContact N-O 2.82Å; G461-D466 PolarHBondContact O-N 2.94Å; Y464-D466 VanDerWaalsContact C-N 3.3Å
467C90.1Very high88Confident31 Ų3150.3 Ų50.321%0.20926%0.26CS..BIsolated β-bridgetrans-131.5106.4173.7-178.30000108.6D409 L410 S469 K470D409-C467 WeakPolarHBondContact OD1-CA 3.48Å; L410-C467 HydrophobicContact CB-CB 4.1Å; L410-C467 HydrophobicContact CD2-CB 4.19Å; C467-S469 PolarHBondContact O-N 3.01Å; C467-K470 PolarHBondContact N-O 3.35Å; C467-K470 PolarHBondContact O-N 3.25Å
468F87.1Confident87.3Confident60 Ų6050.9 Ų50.926%0.26327%0.266SS..THydrogen-bonded Turntrans47.845.2-173.3-61.4-68.2000112.6D409 H412 L415 K470 W757D409-F468 PolarHBondContact OD1-N 2.99Å; D409-F468 PolarHBondContact OD2-N 3.41Å; H412-F468 AromaticContact CD2-CD1 3.97Å; H412-F468 AromaticContact CD2-CE1 3.59Å; H412-F468 AromaticContact NE2-CD1 3.66Å; H412-F468 AromaticContact NE2-CE1 3.72Å; L415-F468 HydrophobicContact CD1-CE1 4.23Å; L415-F468 HydrophobicContact CD1-CZ 4.02Å; F468-K470 VanDerWaalsContact C-N 3.3Å; F468-K470 PolarHBondContact O-N 3.38Å; F468-W757 HydrophobicContact CB-CE3 4.39Å; F468-W757 HydrophobicContact CB-CZ3 4.4Å
469S84.4Confident86.9Confident6 Ų649.4 Ų49.44%0.04226%0.256CS..THydrogen-bonded Turntrans6810.2-174.879.20000117.3C467 W757C467-S469 PolarHBondContact O-N 3.01Å; S469-W757 VanDerWaalsContact OG-CB 3.31Å; S469-W757 WeakPolarHBondContact OG-CB 3.45Å
470K87.3Confident86.2Confident98 Ų9844.2 Ų44.243%0.42624%0.239SC..BIsolated β-bridgetrans-114.3147.5175.3-61.5-59.6175.2-163.10112C467 F468 W757C467-K470 PolarHBondContact N-O 3.35Å; C467-K470 PolarHBondContact O-N 3.25Å; F468-K470 VanDerWaalsContact C-N 3.3Å; F468-K470 PolarHBondContact O-N 3.38Å; K470-W757 VanDerWaalsContact CE-CD1 3.5Å; K470-W757 HydrophobicContact CG-CZ2 4.47Å
471S86.9Confident85.6Confident37 Ų3746.5 Ų46.526%0.25925%0.252SS..  trans-91.2151.4177.454.90000112.6N465 P521 S524N465-S471 VanDerWaalsContact O-CA 3.3Å; N465-S471 WeakPolarHBondContact O-CA 3.34Å; N465-S471 WeakPolarHBondContact O-CB 3.36Å; S471-P521 PolarHBondContact OG-O 3.37Å; S471-S524 WeakPolarHBondContact OG-CB 3.4Å
472L84.3Confident84.8Confident63 Ų6356.5 Ų56.533%0.3329%0.29SS..  trans-104.6125.4176.6-61.4174.5000109.8L410 N465 M474 P521L410-L472 HydrophobicContact CD2-CD1 3.52Å; N465-L472 PolarHBondContact ND2-O 2.96Å; N465-L472 VanDerWaalsContact ND2-O 3.11Å; N465-L472 WeakPolarHBondContact OD1-CB 3.32Å; N465-L472 PolarHBondContact OD1-N 3.42Å; N465-L472 PolarHBondContact OD1-O 3.27Å; L472-M474 HydrophobicContact CB-CG 4.36Å; L472-M474 PolarHBondContact O-N 3.07Å; L472-P521 WeakPolarHBondContact O-CG 3.31Å
473N85.9Confident84Confident107 Ų10755 Ų5557%0.57228%0.284SS*.  trans-9687175.5-174.116.1000110.6G476 P521N473-G476 WeakPolarHBondContact OD1-CA 3.43Å; N473-G476 PolarHBondContact OD1-N 2.83Å; N473-P521 HydrophobicContact CB-CG 4.16Å
474M80.4Confident83Confident110 Ų11053 Ų5354%0.54227%0.273SS..SBendtrans-93.1-41.9-177.8-62.8-165.4-62.900113.5L462 L472 Y515L462-M474 HydrophobicContact CD2-CE 4.49Å; L472-M474 HydrophobicContact CB-CG 4.36Å; L472-M474 PolarHBondContact O-N 3.07Å; M474-Y515 PolarHBondContact N-OH 2.83Å
475F79.9Confident82.1Confident116 Ų11657.5 Ų57.551%0.50929%0.293SS..SBendtrans-107.31-173.7-61.8-76.1000114.3Y515 P516 I517F475-Y515 HydrophobicContact CB-CD2 4.43Å; F475-Y515 HydrophobicContact CB-CE2 3.66Å; F475-Y515 HydrophobicContact CD2-CE1 4.16Å; F475-Y515 HydrophobicContact CD2-CE2 4.39Å; F475-Y515 AromaticContact CD2-CZ 3.79Å; F475-Y515 PolarHBondContact N-OH 3.08Å; F475-Y515 VanDerWaalsContact N-OH 3.08Å; F475-P516 HydrophobicContact CB-CG 4.22Å; F475-P516 HydrophobicContact CG-CG 4.36Å; F475-I517 HydrophobicContact CE2-CB 4.19Å; F475-I517 HydrophobicContact CE2-CD1 4.01Å; F475-I517 HydrophobicContact CE2-CG1 4.23Å; F475-I517 HydrophobicContact CZ-CD1 4.04Å
476G79.8Confident81Confident35 Ų3566.2 Ų66.236%0.36133%0.331SS..  trans82.6141.7-170.600000112.4N473 G478 Y515N473-G476 WeakPolarHBondContact OD1-CA 3.43Å; N473-G476 PolarHBondContact OD1-N 2.83Å; G476-G478 PolarHBondContact O-N 3.45Å; G476-Y515 WeakPolarHBondContact O-CD2 3.27Å; G476-Y515 VanDerWaalsContact O-CE2 3.27Å; G476-Y515 WeakPolarHBondContact O-CE2 3.25Å
477S83.4Confident79.7Confident45 Ų4568.6 Ų68.632%0.31536%0.358SS..  trans-62.2131.4177.3168.10000111.4W479 D520S477-W479 PolarHBondContact O-N 2.9Å; S477-W479 PolarHBondContact OG-N 3.07Å; S477-W479 VanDerWaalsContact OG-N 3.11Å; S477-W479 PolarHBondContact OG-O 3.46Å; S477-D520 PolarHBondContact OG-OD1 2.78Å
478G80.9Confident78.4Confident12 Ų1268.1 Ų68.112%0.12436%0.359CS..SBendtrans-71-17.8171.700000112.3G476 K512 D520G476-G478 PolarHBondContact O-N 3.45Å; G478-K512 PolarHBondContact O-N 2.95Å; G478-D520 PolarHBondContact N-OD2 2.96Å
479W84Confident77.5Confident41 Ų4172.3 Ų72.316%0.15538%0.384CS..BIsolated β-bridgetrans-88.4130.1171.8-67.881.3000111.3S477 L503 P505 V510 F511 I522 W523S477-W479 PolarHBondContact O-N 2.9Å; S477-W479 PolarHBondContact OG-N 3.07Å; S477-W479 VanDerWaalsContact OG-N 3.11Å; S477-W479 PolarHBondContact OG-O 3.46Å; W479-L503 HydrophobicContact CE3-CB 4.49Å; W479-L503 HydrophobicContact CZ3-CB 4.27Å; W479-P505 HydrophobicContact CH2-CB 3.81Å; W479-P505 HydrophobicContact CZ3-CB 4.09Å; W479-V510 WeakPolarHBondContact CA-O 3.22Å; W479-V510 HydrophobicContact CE3-CG1 4Å; W479-V510 HydrophobicContact CZ3-CG1 4.08Å; W479-F511 HydrophobicContact CD2-CD2 4.13Å; W479-F511 AromaticContact CE2-CD2 3.68Å; W479-F511 HydrophobicContact CG-CD2 4.5Å; W479-F511 AromaticContact CZ2-CD2 3.96Å; W479-F511 HydrophobicContact CZ2-CD2 3.96Å; W479-F511 HydrophobicContact CZ2-CE2 4.5Å; W479-F511 AromaticContact NE1-CD2 3.74Å; W479-F511 AromaticContact NE1-CE2 3.92Å; W479-I522 HydrophobicContact CB-CB 4.38Å; W479-I522 HydrophobicContact CB-CG1 4.26Å; W479-I522 HydrophobicContact CB-CG2 4.14Å; W479-I522 VanDerWaalsContact CD1-CG2 3.47Å; W479-I522 HydrophobicContact CG-CG2 3.84Å; W479-W523 HydrophobicContact CZ2-CZ2 4.09Å
480S80.2Confident77.1Confident18 Ų1873.5 Ų73.513%0.12639%0.388CS..  trans-126.4126.9176.594.70000111.3P483 G509 V510 K512S480-P483 WeakPolarHBondContact O-CD 3.49Å; S480-P483 VanDerWaalsContact OG-CD 3.24Å; S480-P483 WeakPolarHBondContact OG-CD 3.39Å; S480-G509 PolarHBondContact OG-O 2.98Å; S480-V510 PolarHBondContact N-O 3.2Å; S480-K512 WeakPolarHBondContact OG-CE 3.46Å
481V78.5Confident76.6Confident55 Ų5572.4 Ų72.433%0.33339%0.389SS..SBendtrans-82.7-20.3-176.8-172.30000111.9M484 F485 W490 L503V481-M484 WeakPolarHBondContact O-CB 3.23Å; V481-M484 PolarHBondContact O-N 3.45Å; V481-M484 VanDerWaalsContact O-N 3.11Å; V481-F485 HydrophobicContact CG1-CD2 4.4Å; V481-F485 HydrophobicContact CG1-CE2 3.92Å; V481-W490 HydrophobicContact CG1-CE3 4.08Å; V481-W490 HydrophobicContact CG1-CH2 3.97Å; V481-W490 HydrophobicContact CG1-CZ3 3.26Å; V481-L503 HydrophobicContact CG2-CD2 4.21Å
482R76.8Confident75.9Confident210 Ų21075.1 Ų75.179%0.79240%0.401SS*.Hα-helixtrans-59-38.2-173-61.9179.8-179.5179.3-0.6114.6M484 F485R482-M484 VanDerWaalsContact C-N 3.28Å; R482-M484 PolarHBondContact O-N 2.64Å; R482-F485 PolarHBondContact O-N 2.77Å
483P72.8Confident75.5Confident30 Ų3079.8 Ų79.820%0.19542%0.421CS..Hα-helixtrans-68-25.3177.7-2438.6000113.5S480 F485 K486 G487 G488 V510S480-P483 WeakPolarHBondContact O-CD 3.49Å; S480-P483 VanDerWaalsContact OG-CD 3.24Å; S480-P483 WeakPolarHBondContact OG-CD 3.39Å; P483-F485 VanDerWaalsContact C-N 3.25Å; P483-F485 PolarHBondContact O-N 2.84Å; P483-K486 PolarHBondContact O-N 3.12Å; P483-K486 VanDerWaalsContact O-N 3.13Å; P483-G487 PolarHBondContact O-N 3.49Å; P483-G488 PolarHBondContact O-N 2.63Å; P483-V510 HydrophobicContact CB-CG2 4.16Å
484M71.1Confident75Confident6 Ų676.6 Ų76.63%0.0341%0.406CS..Hα-helixtrans-63.3-30.8176.3-69.3-60.2-6400113V481 R482 G488 W490 L503 L507 V510V481-M484 WeakPolarHBondContact O-CB 3.23Å; V481-M484 PolarHBondContact O-N 3.45Å; V481-M484 VanDerWaalsContact O-N 3.11Å; R482-M484 VanDerWaalsContact C-N 3.28Å; R482-M484 PolarHBondContact O-N 2.64Å; M484-G488 CarbonylContact O-C 3.28Å; M484-G488 VanDerWaalsContact O-C 3.28Å; M484-G488 WeakPolarHBondContact O-CA 3.28Å; M484-G488 PolarHBondContact O-N 2.98Å; M484-W490 HydrophobicContact CB-CD2 3.68Å; M484-W490 HydrophobicContact CB-CE3 3.66Å; M484-W490 HydrophobicContact CB-CG 4.12Å; M484-W490 HydrophobicContact CB-CZ3 4.15Å; M484-W490 HydrophobicContact CE-CD2 4.01Å; M484-W490 HydrophobicContact CE-CG 4.09Å; M484-W490 HydrophobicContact CE-CZ2 4.04Å; M484-W490 VanDerWaalsContact CE-NE1 3.28Å; M484-W490 HydrophobicContact CG-CD2 4.27Å; M484-W490 HydrophobicContact CG-CE3 4.34Å; M484-W490 HydrophobicContact CG-CH2 4.36Å; M484-W490 HydrophobicContact CG-CZ2 4.27Å; M484-W490 HydrophobicContact CG-CZ3 4.43Å; M484-L503 HydrophobicContact CG-CD2 4.12Å; M484-L507 HydrophobicContact CE-CD1 4.31Å; M484-L507 HydrophobicContact SD-CD1 3.66Å; M484-V510 HydrophobicContact CG-CG2 3.98Å; M484-V510 HydrophobicContact SD-CG2 3.71Å
485F71.6Confident74.8Confident104 Ų10475.6 Ų75.646%0.45640%0.402SS..Hα-helixtrans-84.5-17.6176.5-72.1-79.5000113.8V481 R482 P483 W490V481-F485 HydrophobicContact CG1-CD2 4.4Å; V481-F485 HydrophobicContact CG1-CE2 3.92Å; R482-F485 PolarHBondContact O-N 2.77Å; P483-F485 VanDerWaalsContact C-N 3.25Å; P483-F485 PolarHBondContact O-N 2.84Å; F485-W490 HydrophobicContact CD1-CB 4.31Å; F485-W490 HydrophobicContact CD2-CE3 4.37Å; F485-W490 HydrophobicContact CE1-CB 4.35Å; F485-W490 AromaticContact CE2-CE3 3.87Å; F485-W490 HydrophobicContact CE2-CE3 3.87Å; F485-W490 HydrophobicContact CE2-CZ3 4.27Å; F485-W490 AromaticContact CZ-CE3 3.96Å; F485-W490 HydrophobicContact CZ-CE3 3.96Å
486K67.8Low74.7Confident193 Ų19377.7 Ų77.784%0.83941%0.411SS*.Hα-helixtrans-103.7-29.1-176-71.6-173.2174.1-170.80113.5P483P483-K486 PolarHBondContact O-N 3.12Å; P483-K486 VanDerWaalsContact O-N 3.13Å
487G60.4Low74.5Confident63 Ų6378.8 Ų78.865%0.64942%0.422SS*.Hα-helixtrans-1417.1-178.300000114.5P483P483-G487 PolarHBondContact O-N 3.49Å
488G62.3Low74.3Confident21 Ų2181.3 Ų81.322%0.21643%0.432CS..SBendtrans-114.2-178.1178.300000113.4P483 M484 W490P483-G488 PolarHBondContact O-N 2.63Å; M484-G488 CarbonylContact O-C 3.28Å; M484-G488 VanDerWaalsContact O-C 3.28Å; M484-G488 WeakPolarHBondContact O-CA 3.28Å; M484-G488 PolarHBondContact O-N 2.98Å; G488-W490 PolarHBondContact O-N 3.34Å; G488-W490 VanDerWaalsContact O-N 3.16Å
489N69.3Low73.9Confident149 Ų14988.1 Ų88.180%0.79747%0.471SS*.SBendtrans-78.812.5-174.2-65.5-11.1000114.7
490W75.8Confident73.7Confident31 Ų3188.9 Ų88.912%0.11749%0.486CS..  trans-95.7116-173.4-67.56.3000111.6V481 M484 F485 G488 L501 Q502 L503V481-W490 HydrophobicContact CG1-CE3 4.08Å; V481-W490 HydrophobicContact CG1-CH2 3.97Å; V481-W490 HydrophobicContact CG1-CZ3 3.26Å; M484-W490 HydrophobicContact CB-CD2 3.68Å; M484-W490 HydrophobicContact CB-CE3 3.66Å; M484-W490 HydrophobicContact CB-CG 4.12Å; M484-W490 HydrophobicContact CB-CZ3 4.15Å; M484-W490 HydrophobicContact CE-CD2 4.01Å; M484-W490 HydrophobicContact CE-CG 4.09Å; M484-W490 HydrophobicContact CE-CZ2 4.04Å; M484-W490 VanDerWaalsContact CE-NE1 3.28Å; M484-W490 HydrophobicContact CG-CD2 4.27Å; M484-W490 HydrophobicContact CG-CE3 4.34Å; M484-W490 HydrophobicContact CG-CH2 4.36Å; M484-W490 HydrophobicContact CG-CZ2 4.27Å; M484-W490 HydrophobicContact CG-CZ3 4.43Å; F485-W490 HydrophobicContact CD1-CB 4.31Å; F485-W490 HydrophobicContact CD2-CE3 4.37Å; F485-W490 HydrophobicContact CE1-CB 4.35Å; F485-W490 AromaticContact CE2-CE3 3.87Å; F485-W490 HydrophobicContact CE2-CE3 3.87Å; F485-W490 HydrophobicContact CE2-CZ3 4.27Å; F485-W490 AromaticContact CZ-CE3 3.96Å; F485-W490 HydrophobicContact CZ-CE3 3.96Å; G488-W490 PolarHBondContact O-N 3.34Å; G488-W490 VanDerWaalsContact O-N 3.16Å; W490-L501 HydrophobicContact CE3-CD1 4.49Å; W490-L501 HydrophobicContact CH2-CB 3.98Å; W490-L501 HydrophobicContact CH2-CD1 4.38Å; W490-L501 HydrophobicContact CZ2-CB 3.79Å; W490-L501 HydrophobicContact CZ3-CD1 4.24Å; W490-Q502 WeakPolarHBondContact CZ2-O 3.47Å; W490-Q502 PolarHBondContact NE1-O 3.26Å; W490-L503 HydrophobicContact CH2-CD2 4.06Å; W490-L503 HydrophobicContact CH2-CG 3.9Å; W490-L503 HydrophobicContact CZ2-CG 4.13Å
491T76.7Confident73.8Confident74 Ų7491.3 Ų91.345%0.45450%0.497SS..  trans-113.3164.717261.80000110.9E493 T494 L495T491-E493 PolarHBondContact O-N 3.35Å; T491-E493 VanDerWaalsContact O-N 3.11Å; T491-T494 PolarHBondContact N-OG1 3.43Å; T491-T494 VanDerWaalsContact N-OG1 3.08Å; T491-T494 PolarHBondContact O-N 3.34Å; T491-T494 PolarHBondContact O-OG1 3.04Å; T491-L495 PolarHBondContact O-N 3.32Å
492D73.3Confident73.9Confident94 Ų9496.8 Ų96.850%0.50352%0.52SS..Hα-helixtrans-60-22.6178-165.241.2000112.8K496D492-K496 PolarHBondContact O-N 2.75Å; D492-K496 IonicContact OD1-NZ 3.97Å; D492-K496 WeakPolarHBondContact OD2-CE 3.27Å; D492-K496 IonicContact OD2-NZ 2.72Å; D492-K496 PolarHBondContact OD2-NZ 3.31Å
493E74.6Confident74.1Confident162 Ų16289.6 Ų89.676%0.75750%0.496SS*.Hα-helixtrans-70.9-41.1173-64.1-178.6173.700112.3T491 L495 K496 G497T491-E493 PolarHBondContact O-N 3.35Å; T491-E493 VanDerWaalsContact O-N 3.11Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 3.26Å; E493-K496 PolarHBondContact O-N 2.9Å; E493-G497 PolarHBondContact O-N 3.42Å
494T74.8Confident74.4Confident40 Ų4091.8 Ų91.825%0.24551%0.506CS..Hα-helixtrans-65.7-31.6176.661.40000112.6T491 N498T491-T494 PolarHBondContact N-OG1 3.43Å; T491-T494 VanDerWaalsContact N-OG1 3.08Å; T491-T494 PolarHBondContact O-N 3.34Å; T491-T494 PolarHBondContact O-OG1 3.04Å; T494-N498 PolarHBondContact O-N 3Å; T494-N498 VanDerWaalsContact O-N 3.09Å
495L77.5Confident74.8Confident88 Ų8894.1 Ų94.146%0.46152%0.522SS..Hα-helixtrans-70.3-33.5177.3-173.266.5000112.4T491 E493 L501T491-L495 PolarHBondContact O-N 3.32Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 3.26Å; L495-L501 HydrophobicContact CD1-CD1 3.89Å
496K76.6Confident75.1Confident161 Ų16190.5 Ų90.570%0.751%0.512SS*.Hα-helixtrans-84.9-28.2178.3-68.7172.6-171.4156.70112.7D492 E493D492-K496 PolarHBondContact O-N 2.75Å; D492-K496 IonicContact OD1-NZ 3.97Å; D492-K496 WeakPolarHBondContact OD2-CE 3.27Å; D492-K496 IonicContact OD2-NZ 2.72Å; D492-K496 PolarHBondContact OD2-NZ 3.31Å; E493-K496 PolarHBondContact O-N 2.9Å
497G76.7Confident75.6Confident58 Ų5884.1 Ų84.160%0.59849%0.486SS*.Hα-helixtrans-88.5-33.8-176.800000115.5E493E493-G497 PolarHBondContact O-N 3.42Å
498N78.5Confident76.2Confident98 Ų9888.4 Ų88.452%0.52449%0.494SS..  trans-110.1129.5-174-72.8-17.8000112.5T494 A500 L501T494-N498 PolarHBondContact O-N 3Å; T494-N498 VanDerWaalsContact O-N 3.09Å; N498-A500 VanDerWaalsContact C-N 3.35Å; N498-L501 HydrophobicContact CB-CD2 4.45Å
499T74Confident76.8Confident155 Ų15588.7 Ų88.795%0.95150%0.497SS*.SBendtrans-78.7-17.9176.553.70000113.4
500A79.3Confident77.3Confident57 Ų5781.6 Ų81.647%0.47146%0.459SS..  trans-130129.9177.200000110.5N498 I527N498-A500 VanDerWaalsContact C-N 3.35Å; A500-I527 HydrophobicContact CB-CD1 3.96Å
501L81.2Confident77.7Confident68 Ų6884.5 Ų84.536%0.35647%0.473SS..  trans-116.3137.5179-67.2169.3000109.9W490 L495 N498W490-L501 HydrophobicContact CE3-CD1 4.49Å; W490-L501 HydrophobicContact CH2-CB 3.98Å; W490-L501 HydrophobicContact CH2-CD1 4.38Å; W490-L501 HydrophobicContact CZ2-CB 3.79Å; W490-L501 HydrophobicContact CZ3-CD1 4.24Å; L495-L501 HydrophobicContact CD1-CD1 3.89Å; N498-L501 HydrophobicContact CB-CD2 4.45Å
502Q82.1Confident77.8Confident171 Ų17188.3 Ų88.380%0.79948%0.483SS*.  trans-104.2128.5176.962.7178.3-3.300110.9W490W490-Q502 WeakPolarHBondContact CZ2-O 3.47Å; W490-Q502 PolarHBondContact NE1-O 3.26Å
503L80.7Confident78.3Confident58 Ų5884.9 Ų84.930%0.30447%0.47SS..  trans-86131.3173.2-72.1127.7000109.2W479 V481 M484 W490 P505 V510W479-L503 HydrophobicContact CE3-CB 4.49Å; W479-L503 HydrophobicContact CZ3-CB 4.27Å; V481-L503 HydrophobicContact CG2-CD2 4.21Å; M484-L503 HydrophobicContact CG-CD2 4.12Å; W490-L503 HydrophobicContact CH2-CD2 4.06Å; W490-L503 HydrophobicContact CH2-CG 3.9Å; W490-L503 HydrophobicContact CZ2-CG 4.13Å; L503-P505 WeakPolarHBondContact O-CD 3.28Å; L503-V510 HydrophobicContact CB-CG1 4.26Å; L503-V510 HydrophobicContact CD2-CG1 3.9Å
504D79Confident78.8Confident76 Ų7682.5 Ų82.541%0.40647%0.468SS..  trans-92.4112174.3-170.4-9.5000110A506 L507 V510D504-A506 PolarHBondContact O-N 3.45Å; D504-A506 WeakPolarHBondContact OD1-CB 3.46Å; D504-A506 PolarHBondContact OD1-N 3.46Å; D504-L507 HydrophobicContact CB-CD1 4.1Å; D504-L507 HydrophobicContact CB-CG 4.36Å; D504-V510 WeakPolarHBondContact O-CB 3.43Å; D504-V510 WeakPolarHBondContact O-CG1 3.32Å
505P79.4Confident79.3Confident56 Ų5681.6 Ų81.636%0.36446%0.46SS..THydrogen-bonded Turntrans-71-14.3179.127.3-32.4000114.1W479 L503 L507 A600W479-P505 HydrophobicContact CH2-CB 3.81Å; W479-P505 HydrophobicContact CZ3-CB 4.09Å; L503-P505 WeakPolarHBondContact O-CD 3.28Å; P505-L507 VanDerWaalsContact C-N 3.25Å; P505-L507 PolarHBondContact O-N 2.96Å; P505-A600 HydrophobicContact CB-CB 3.87Å; P505-A600 HydrophobicContact CG-CB 3.83Å
506A78.1Confident79.7Confident28 Ų2882 Ų8223%0.23147%0.468CS..THydrogen-bonded Turntrans-77.6-10.3179.600000113.2D504 H601D504-A506 PolarHBondContact O-N 3.45Å; D504-A506 WeakPolarHBondContact OD1-CB 3.46Å; D504-A506 PolarHBondContact OD1-N 3.46Å; A506-H601 PolarHBondContact O-CE1 3.37Å
507L78.4Confident80.2Confident59 Ų5978.3 Ų78.331%0.30946%0.456SS..SBendtrans-86130.3177.2-70.5170.8000111.2M484 D504 P505 G509 V510M484-L507 HydrophobicContact CE-CD1 4.31Å; M484-L507 HydrophobicContact SD-CD1 3.66Å; D504-L507 HydrophobicContact CB-CD1 4.1Å; D504-L507 HydrophobicContact CB-CG 4.36Å; P505-L507 VanDerWaalsContact C-N 3.25Å; P505-L507 PolarHBondContact O-N 2.96Å; L507-G509 PolarHBondContact O-N 3.18Å; L507-V510 HydrophobicContact CB-CG2 3.75Å; L507-V510 WeakPolarHBondContact O-CB 3.46Å; L507-V510 PolarHBondContact O-N 2.85Å; L507-V510 VanDerWaalsContact O-N 3.12Å
508D72.4Confident80.7Confident153 Ų15377 Ų7782%0.81844%0.441SS*.BIsolated β-bridgetrans-56.8125.2-179.1-72.7-26.9000112
509G74.3Confident81.2Confident27 Ų2773.1 Ų73.128%0.27842%0.421SS..THydrogen-bonded Turntrans88.7-10.1178.600000115.5S480 L507 K512S480-G509 PolarHBondContact OG-O 2.98Å; L507-G509 PolarHBondContact O-N 3.18Å; G509-K512 WeakPolarHBondContact O-CG 3.44Å
510V80.8Confident81.9Confident0 Ų066.4 Ų66.40%038%0.379CS..THydrogen-bonded Turntrans-67.6-44.1172.51770000110.2W479 S480 P483 M484 L503 D504 L507W479-V510 WeakPolarHBondContact CA-O 3.22Å; W479-V510 HydrophobicContact CE3-CG1 4Å; W479-V510 HydrophobicContact CZ3-CG1 4.08Å; S480-V510 PolarHBondContact N-O 3.2Å; P483-V510 HydrophobicContact CB-CG2 4.16Å; M484-V510 HydrophobicContact CG-CG2 3.98Å; M484-V510 HydrophobicContact SD-CG2 3.71Å; L503-V510 HydrophobicContact CB-CG1 4.26Å; L503-V510 HydrophobicContact CD2-CG1 3.9Å; D504-V510 WeakPolarHBondContact O-CB 3.43Å; D504-V510 WeakPolarHBondContact O-CG1 3.32Å; L507-V510 HydrophobicContact CB-CG2 3.75Å; L507-V510 WeakPolarHBondContact O-CB 3.46Å; L507-V510 PolarHBondContact O-N 2.85Å; L507-V510 VanDerWaalsContact O-N 3.12Å
511F84.1Confident82.3Confident91 Ų9164.3 Ų64.340%0.39936%0.36SS..BIsolated β-bridgetrans-111.1113.5168.6-177.8-112.1000109.2W479 G513W479-F511 HydrophobicContact CD2-CD2 4.13Å; W479-F511 AromaticContact CE2-CD2 3.68Å; W479-F511 HydrophobicContact CG-CD2 4.5Å; W479-F511 AromaticContact CZ2-CD2 3.96Å; W479-F511 HydrophobicContact CZ2-CD2 3.96Å; W479-F511 HydrophobicContact CZ2-CE2 4.5Å; W479-F511 AromaticContact NE1-CD2 3.74Å; W479-F511 AromaticContact NE1-CE2 3.92Å; F511-G513 VanDerWaalsContact CE2-O 3.28Å; F511-G513 WeakPolarHBondContact CE2-O 3.38Å; F511-G513 WeakPolarHBondContact CZ-O 3.5Å
512K78.6Confident82.6Confident155 Ų15562.8 Ų62.867%0.67435%0.353SS*.  trans-94.70.4-176.8-66.4-177.1177.5179.30113.8G478 S480 G509G478-K512 PolarHBondContact O-N 2.95Å; S480-K512 WeakPolarHBondContact OG-CE 3.46Å; G509-K512 WeakPolarHBondContact O-CG 3.44Å
513G82.4Confident82.8Confident21 Ų2156.7 Ų56.722%0.21632%0.322CS..  trans131.7166.7-17700000112.5F511F511-G513 VanDerWaalsContact CE2-O 3.28Å; F511-G513 WeakPolarHBondContact CE2-O 3.38Å; F511-G513 WeakPolarHBondContact CZ-O 3.5Å
514P85.4Confident83Confident112 Ų11255.3 Ų55.373%0.72732%0.317SS*.  trans-67.7150.317929.1-34.5000111.7
515Y86.4Confident83.3Confident21 Ų2158.2 Ų58.28%0.08233%0.331CS..  trans-66.4134.3175.2-168.6-111.7000110.2M474 F475 G476 I517M474-Y515 PolarHBondContact N-OH 2.83Å; F475-Y515 HydrophobicContact CB-CD2 4.43Å; F475-Y515 HydrophobicContact CB-CE2 3.66Å; F475-Y515 HydrophobicContact CD2-CE1 4.16Å; F475-Y515 HydrophobicContact CD2-CE2 4.39Å; F475-Y515 AromaticContact CD2-CZ 3.79Å; F475-Y515 PolarHBondContact N-OH 3.08Å; F475-Y515 VanDerWaalsContact N-OH 3.08Å; G476-Y515 WeakPolarHBondContact O-CD2 3.27Å; G476-Y515 VanDerWaalsContact O-CE2 3.27Å; G476-Y515 WeakPolarHBondContact O-CE2 3.25Å; Y515-I517 WeakPolarHBondContact CD1-O 3.49Å; Y515-I517 WeakPolarHBondContact CE1-O 3.4Å; Y515-I517 PolarHBondContact O-N 2.92Å
516P85.1Confident83.7Confident96 Ų9657 Ų5762%0.62332%0.324SS*.SBendtrans-60.8-36.4-170.8-28.535.8000115.8F475F475-P516 HydrophobicContact CB-CG 4.22Å; F475-P516 HydrophobicContact CG-CG 4.36Å
517I88Confident84.1Confident85 Ų8562.9 Ų62.944%0.43635%0.35SS..SBendtrans-139.3113.3-178.7-59178.6000109.6I463 F475 Y515I463-I517 HydrophobicContact CD1-CG2 4.35Å; F475-I517 HydrophobicContact CE2-CB 4.19Å; F475-I517 HydrophobicContact CE2-CD1 4.01Å; F475-I517 HydrophobicContact CE2-CG1 4.23Å; F475-I517 HydrophobicContact CZ-CD1 4.04Å; Y515-I517 WeakPolarHBondContact CD1-O 3.49Å; Y515-I517 WeakPolarHBondContact CE1-O 3.4Å; Y515-I517 PolarHBondContact O-N 2.92Å
518G86.8Confident84.6Confident29 Ų2964.8 Ų64.830%0.29936%0.361SS..SBendtrans83.2-160.2175.700000114.2I463I463-G518 CarbonylContact O-C 3.59Å; I463-G518 WeakPolarHBondContact O-CA 3.48Å
519I88.4Confident85.4Confident18 Ų1858.1 Ų58.19%0.09232%0.324CS..SBendtrans-87.7141.2-176.4-56.5177.7000110.6I463 Y464 N465 W523 F532 L533 F536I463-I519 PolarHBondContact O-N 3.13Å; Y464-I519 HydrophobicContact CD1-CD1 4.45Å; N465-I519 WeakPolarHBondContact CB-O 3.49Å; N465-I519 PolarHBondContact ND2-O 3.19Å; I519-W523 HydrophobicContact CG2-CB 4.38Å; I519-W523 HydrophobicContact CG2-CG 4.35Å; I519-F532 HydrophobicContact CG2-CE1 3.99Å; I519-L533 HydrophobicContact CD1-CD2 3.48Å; I519-L533 VanDerWaalsContact CD1-CD2 3.48Å; I519-F536 HydrophobicContact CD1-CD1 4.22Å; I519-F536 HydrophobicContact CD1-CE1 4.18Å
520D88.9Confident86Confident13 Ų1360.7 Ų60.77%0.0733%0.331CS..  trans-62.7130.3178.8-165.8-43.7000111.5S477 G478 I522 W523S477-D520 PolarHBondContact OG-OD1 2.78Å; G478-D520 PolarHBondContact N-OD2 2.96Å; D520-I522 HydrophobicContact CB-CG2 4.14Å; D520-I522 PolarHBondContact O-N 3.09Å; D520-I522 VanDerWaalsContact O-N 3.08Å; D520-I522 PolarHBondContact OD1-N 3.48Å; D520-W523 PolarHBondContact O-N 3.15Å; D520-W523 VanDerWaalsContact O-N 3.16Å
521P87Confident86.5Confident13 Ų1365 Ų658%0.08436%0.361CS..G310 helixtrans-52.4-27.5176.8-26.531.6000115.4N465 S471 L472 N473 W523 S524N465-P521 WeakPolarHBondContact ND2-CG 3.49Å; S471-P521 PolarHBondContact OG-O 3.37Å; L472-P521 WeakPolarHBondContact O-CG 3.31Å; N473-P521 HydrophobicContact CB-CG 4.16Å; P521-W523 PolarHBondContact O-N 2.89Å; P521-W523 VanDerWaalsContact O-N 3.13Å; P521-S524 WeakPolarHBondContact O-CB 3.25Å; P521-S524 PolarHBondContact O-N 3.08Å
522I87.6Confident86.7Confident37 Ų3764.2 Ų64.219%0.1936%0.358CS..G310 helixtrans-56.9-30.8-179.6-161.977.5000112.1W479 D520 S524 I525 S526W479-I522 HydrophobicContact CB-CB 4.38Å; W479-I522 HydrophobicContact CB-CG1 4.26Å; W479-I522 HydrophobicContact CB-CG2 4.14Å; W479-I522 VanDerWaalsContact CD1-CG2 3.47Å; W479-I522 HydrophobicContact CG-CG2 3.84Å; D520-I522 HydrophobicContact CB-CG2 4.14Å; D520-I522 PolarHBondContact O-N 3.09Å; D520-I522 VanDerWaalsContact O-N 3.08Å; D520-I522 PolarHBondContact OD1-N 3.48Å; I522-S524 PolarHBondContact O-N 3.31Å; I522-I525 HydrophobicContact CD1-CD1 3.92Å; I522-I525 HydrophobicContact CD1-CG1 4.42Å; I522-I525 WeakPolarHBondContact O-CG1 3.48Å; I522-I525 PolarHBondContact O-N 3.47Å; I522-S526 PolarHBondContact O-N 2.93Å
523W87.4Confident87.3Confident43 Ų4357.6 Ų57.616%0.16333%0.33CS..G310 helixtrans-67-27.1-179.2-66.9109.9000112.2W479 I519 D520 P521 I525 S526 K529 F532W479-W523 HydrophobicContact CZ2-CZ2 4.09Å; I519-W523 HydrophobicContact CG2-CB 4.38Å; I519-W523 HydrophobicContact CG2-CG 4.35Å; D520-W523 PolarHBondContact O-N 3.15Å; D520-W523 VanDerWaalsContact O-N 3.16Å; P521-W523 PolarHBondContact O-N 2.89Å; P521-W523 VanDerWaalsContact O-N 3.13Å; W523-I525 VanDerWaalsContact C-N 3.26Å; W523-I525 PolarHBondContact O-N 3.5Å; W523-S526 WeakPolarHBondContact CA-OG 3.48Å; W523-S526 PolarHBondContact O-N 3.15Å; W523-S526 PolarHBondContact O-OG 2.97Å; W523-K529 VanDerWaalsContact O-CB 3.26Å; W523-K529 WeakPolarHBondContact O-CB 3.32Å; W523-K529 WeakPolarHBondContact O-CG 3.11Å; W523-F532 AromaticContact CD1-CE1 3.97Å; W523-F532 HydrophobicContact CD2-CB 4.47Å; W523-F532 AromaticContact CD2-CD1 3.83Å; W523-F532 HydrophobicContact CD2-CD1 3.83Å; W523-F532 HydrophobicContact CD2-CE1 4.27Å; W523-F532 HydrophobicContact CD2-CG 4.09Å; W523-F532 AromaticContact CE2-CD1 3.98Å; W523-F532 HydrophobicContact CE3-CB 4.04Å; W523-F532 HydrophobicContact CE3-CD1 4.24Å; W523-F532 HydrophobicContact CE3-CG 4.15Å; W523-F532 HydrophobicContact CG-CD1 4.02Å; W523-F532 HydrophobicContact CG-CE1 4.21Å; W523-F532 HydrophobicContact CH2-CB 4.35Å; W523-F532 HydrophobicContact CH2-CD2 4.23Å; W523-F532 HydrophobicContact CH2-CG 4.24Å; W523-F532 HydrophobicContact CZ2-CD2 4.03Å; W523-F532 HydrophobicContact CZ2-CE2 4.25Å; W523-F532 HydrophobicContact CZ2-CG 4.17Å; W523-F532 HydrophobicContact CZ3-CB 3.98Å; W523-F532 HydrophobicContact CZ3-CG 4.22Å; W523-F532 AromaticContact NE1-CE1 3.88Å
524S85Confident87.7Confident28 Ų2859.5 Ų59.520%0.19634%0.335CS..G310 helixtrans-67.2-24.5178.6179.90000113.7S471 P521 I522S471-S524 WeakPolarHBondContact OG-CB 3.4Å; P521-S524 WeakPolarHBondContact O-CB 3.25Å; P521-S524 PolarHBondContact O-N 3.08Å; I522-S524 PolarHBondContact O-N 3.31Å
525I85.3Confident87.9Confident138 Ų13856.6 Ų56.671%0.70832%0.318SS*.THydrogen-bonded Turntrans-101.8-9.8179.143.3175.1000112.8I522 W523I522-I525 HydrophobicContact CD1-CD1 3.92Å; I522-I525 HydrophobicContact CD1-CG1 4.42Å; I522-I525 WeakPolarHBondContact O-CG1 3.48Å; I522-I525 PolarHBondContact O-N 3.47Å; W523-I525 VanDerWaalsContact C-N 3.26Å; W523-I525 PolarHBondContact O-N 3.5Å
526S86.7Confident88.2Confident31 Ų3158.3 Ų58.322%0.21733%0.325CS..  trans-77.5144-178.873.20000112.7I522 W523 N528 K529I522-S526 PolarHBondContact O-N 2.93Å; W523-S526 WeakPolarHBondContact CA-OG 3.48Å; W523-S526 PolarHBondContact O-N 3.15Å; W523-S526 PolarHBondContact O-OG 2.97Å; S526-N528 VanDerWaalsContact C-N 3.31Å; S526-N528 WeakPolarHBondContact CB-OD1 3.46Å; S526-N528 PolarHBondContact OG-OD1 2.86Å; S526-K529 WeakPolarHBondContact O-CB 3.49Å; S526-K529 PolarHBondContact OG-N 3.46Å
527I86.7Confident88.5Confident150 Ų15054 Ų5477%0.76930%0.297SS*.THydrogen-bonded Turntrans-69.8-31.9176.3-56.2175.1000110.9A500 K529A500-I527 HydrophobicContact CB-CD1 3.96Å; I527-K529 VanDerWaalsContact C-N 3.32Å; I527-K529 PolarHBondContact O-N 3.14Å
528N89.5Confident88.7Confident99 Ų9953.6 Ų53.653%0.52929%0.294SS..THydrogen-bonded Turntrans-89.614.2-178.662.2-19.5000114.2S526 L530 S531 F532S526-N528 VanDerWaalsContact C-N 3.31Å; S526-N528 WeakPolarHBondContact CB-OD1 3.46Å; S526-N528 PolarHBondContact OG-OD1 2.86Å; N528-L530 VanDerWaalsContact C-N 3.28Å; N528-L530 PolarHBondContact O-N 2.99Å; N528-S531 PolarHBondContact O-N 2.89Å; N528-S531 VanDerWaalsContact O-N 3.14Å; N528-F532 PolarHBondContact O-N 2.99Å
529K88.2Confident89Confident14 Ų1453.5 Ų53.56%0.06129%0.286CS..Hα-helixtrans-44.6-49.7175.5178.9-174.9172.2-172.30112.9W523 S526 I527 S531 F532 L533 E754W523-K529 VanDerWaalsContact O-CB 3.26Å; W523-K529 WeakPolarHBondContact O-CB 3.32Å; W523-K529 WeakPolarHBondContact O-CG 3.11Å; S526-K529 WeakPolarHBondContact O-CB 3.49Å; S526-K529 PolarHBondContact OG-N 3.46Å; I527-K529 VanDerWaalsContact C-N 3.32Å; I527-K529 PolarHBondContact O-N 3.14Å; K529-S531 VanDerWaalsContact C-N 3.34Å; K529-S531 PolarHBondContact O-N 3.31Å; K529-F532 PolarHBondContact O-N 3.39Å; K529-L533 HydrophobicContact CD-CD1 4.2Å; K529-L533 HydrophobicContact CG-CD1 3.63Å; K529-L533 HydrophobicContact CG-CG 4.22Å; K529-L533 WeakPolarHBondContact O-CB 3.38Å; K529-L533 WeakPolarHBondContact O-CG 3.3Å; K529-L533 PolarHBondContact O-N 3.08Å; K529-E754 IonicContact NZ-OE2 3.95Å; K529-E754 PolarHBondContact NZ-OE2 3.41Å
530L88.3Confident89.2Confident81 Ų8154.2 Ų54.242%0.42429%0.289SS..Hα-helixtrans-63.2-38-175.1-77.9171.4000112.7N528 N534 Q751N528-L530 VanDerWaalsContact C-N 3.28Å; N528-L530 PolarHBondContact O-N 2.99Å; L530-N534 WeakPolarHBondContact O-CB 3.33Å; L530-N534 PolarHBondContact O-N 3.22Å; L530-Q751 HydrophobicContact CD2-CG 4.43Å
531S89.5Confident89.4Confident90 Ų9053.7 Ų53.763%0.62929%0.286SS*.Hα-helixtrans-65.4-43.9179.5-174.10000111.3N528 K529 S535N528-S531 PolarHBondContact O-N 2.89Å; N528-S531 VanDerWaalsContact O-N 3.14Å; K529-S531 VanDerWaalsContact C-N 3.34Å; K529-S531 PolarHBondContact O-N 3.31Å; S531-S535 WeakPolarHBondContact O-CB 3.49Å; S531-S535 PolarHBondContact O-N 3.22Å
532F90.1Very high89.7Confident75 Ų7554 Ų5433%0.32929%0.288SS..Hα-helixtrans-66.3-52.7176.6174.6-102.3000112.1I519 W523 N528 K529 N534 S535 F536I519-F532 HydrophobicContact CG2-CE1 3.99Å; W523-F532 AromaticContact CD1-CE1 3.97Å; W523-F532 HydrophobicContact CD2-CB 4.47Å; W523-F532 AromaticContact CD2-CD1 3.83Å; W523-F532 HydrophobicContact CD2-CD1 3.83Å; W523-F532 HydrophobicContact CD2-CE1 4.27Å; W523-F532 HydrophobicContact CD2-CG 4.09Å; W523-F532 AromaticContact CE2-CD1 3.98Å; W523-F532 HydrophobicContact CE3-CB 4.04Å; W523-F532 HydrophobicContact CE3-CD1 4.24Å; W523-F532 HydrophobicContact CE3-CG 4.15Å; W523-F532 HydrophobicContact CG-CD1 4.02Å; W523-F532 HydrophobicContact CG-CE1 4.21Å; W523-F532 HydrophobicContact CH2-CB 4.35Å; W523-F532 HydrophobicContact CH2-CD2 4.23Å; W523-F532 HydrophobicContact CH2-CG 4.24Å; W523-F532 HydrophobicContact CZ2-CD2 4.03Å; W523-F532 HydrophobicContact CZ2-CE2 4.25Å; W523-F532 HydrophobicContact CZ2-CG 4.17Å; W523-F532 HydrophobicContact CZ3-CB 3.98Å; W523-F532 HydrophobicContact CZ3-CG 4.22Å; W523-F532 AromaticContact NE1-CE1 3.88Å; N528-F532 PolarHBondContact O-N 2.99Å; K529-F532 PolarHBondContact O-N 3.39Å; F532-N534 VanDerWaalsContact C-N 3.34Å; F532-N534 PolarHBondContact O-N 3.11Å; F532-S535 PolarHBondContact O-N 2.85Å; F532-F536 PolarHBondContact O-N 3.36Å
533L89.6Confident90Very high16 Ų1652.9 Ų52.98%0.08428%0.282CS..Hα-helixtrans-64.3-37.5-177.7-73-178.1000112.7I519 K529 F536 K537I519-L533 HydrophobicContact CD1-CD2 3.48Å; I519-L533 VanDerWaalsContact CD1-CD2 3.48Å; K529-L533 HydrophobicContact CD-CD1 4.2Å; K529-L533 HydrophobicContact CG-CD1 3.63Å; K529-L533 HydrophobicContact CG-CG 4.22Å; K529-L533 WeakPolarHBondContact O-CB 3.38Å; K529-L533 WeakPolarHBondContact O-CG 3.3Å; K529-L533 PolarHBondContact O-N 3.08Å; L533-F536 PolarHBondContact O-N 3.05Å; L533-K537 WeakPolarHBondContact O-CB 3.37Å; L533-K537 WeakPolarHBondContact O-CG 3.46Å; L533-K537 PolarHBondContact O-N 2.89Å
534N91.4Very high90.3Very high60 Ų6052.7 Ų52.732%0.32128%0.284SS..Hα-helixtrans-62-50.2176.6-175.87.8000110.8L530 F532 F536 K537 M538 W743 L747L530-N534 WeakPolarHBondContact O-CB 3.33Å; L530-N534 PolarHBondContact O-N 3.22Å; F532-N534 VanDerWaalsContact C-N 3.34Å; F532-N534 PolarHBondContact O-N 3.11Å; N534-F536 VanDerWaalsContact C-N 3.31Å; N534-F536 PolarHBondContact O-N 3.1Å; N534-K537 PolarHBondContact O-N 2.93Å; N534-M538 WeakPolarHBondContact O-CB 3.36Å; N534-M538 PolarHBondContact O-N 3.4Å; N534-W743 WeakPolarHBondContact OD1-CZ2 3.37Å; N534-W743 PolarHBondContact OD1-NE1 3.46Å; N534-W743 VanDerWaalsContact OD1-NE1 3.11Å; N534-L747 HydrophobicContact CB-CD1 4.46Å
535S90.6Very high90.7Very high52 Ų5251.3 Ų51.336%0.36428%0.275SS..Hα-helixtrans-59.1-40.8177.4-174.10000112.6S531 F532 K539S531-S535 WeakPolarHBondContact O-CB 3.49Å; S531-S535 PolarHBondContact O-N 3.22Å; F532-S535 PolarHBondContact O-N 2.85Å; S535-K539 WeakPolarHBondContact O-CD 3.47Å; S535-K539 VanDerWaalsContact O-CG 3.24Å; S535-K539 WeakPolarHBondContact O-CG 3.44Å; S535-K539 PolarHBondContact O-N 3.38Å
536F91.1Very high91.1Very high56 Ų5644.8 Ų44.825%0.24624%0.241CC..Hα-helixtrans-68.8-55.2178174.7-105.6000112.5Y464 I519 F532 L533 N534 M538 K539 M540 W595Y464-F536 HydrophobicContact CE1-CE1 4.37Å; I519-F536 HydrophobicContact CD1-CD1 4.22Å; I519-F536 HydrophobicContact CD1-CE1 4.18Å; F532-F536 PolarHBondContact O-N 3.36Å; L533-F536 PolarHBondContact O-N 3.05Å; N534-F536 VanDerWaalsContact C-N 3.31Å; N534-F536 PolarHBondContact O-N 3.1Å; F536-M538 PolarHBondContact O-N 3.13Å; F536-K539 PolarHBondContact O-N 3.01Å; F536-M540 WeakPolarHBondContact O-CB 3.1Å; F536-M540 PolarHBondContact O-N 2.95Å; F536-W595 HydrophobicContact CD2-CZ2 4.32Å
537K91.7Very high91.4Very high7 Ų747.8 Ų47.83%0.0325%0.254CS..Hα-helixtrans-65.3-38.3-175.2-71-170.1178.2-167.30112L533 N534 M540 S541 W743 S746L533-K537 WeakPolarHBondContact O-CB 3.37Å; L533-K537 WeakPolarHBondContact O-CG 3.46Å; L533-K537 PolarHBondContact O-N 2.89Å; N534-K537 PolarHBondContact O-N 2.93Å; K537-M540 PolarHBondContact O-N 2.65Å; K537-S541 PolarHBondContact O-N 3.03Å; K537-S541 PolarHBondContact O-OG 3.1Å; K537-W743 HydrophobicContact CB-CB 4.43Å; K537-W743 VanDerWaalsContact CB-CD1 3.44Å; K537-W743 HydrophobicContact CB-CG 4.24Å; K537-S746 PolarHBondContact NZ-O 3.43Å; K537-S746 VanDerWaalsContact NZ-O 3.12Å; K537-S746 PolarHBondContact NZ-OG 3.22Å
538M91.8Very high91.7Very high76 Ų7641.4 Ų41.437%0.37422%0.22SC..Hα-helixtrans-63.3-40.8175.7-174.8-173.769.600112N534 F536 S541 V542 L740 W743N534-M538 WeakPolarHBondContact O-CB 3.36Å; N534-M538 PolarHBondContact O-N 3.4Å; F536-M538 PolarHBondContact O-N 3.13Å; M538-S541 PolarHBondContact O-OG 3.42Å; M538-V542 WeakPolarHBondContact O-CG2 3.48Å; M538-V542 PolarHBondContact O-N 3.43Å; M538-L740 HydrophobicContact CG-CD2 3.89Å; M538-W743 HydrophobicContact CB-CD2 4.05Å; M538-W743 HydrophobicContact CB-CE3 4.42Å; M538-W743 HydrophobicContact CB-CG 4.2Å; M538-W743 HydrophobicContact CG-CD2 4.4Å; M538-W743 HydrophobicContact CG-CE3 4.26Å
539K93.4Very high91.8Very high27 Ų2736.7 Ų36.712%0.11720%0.195CC..Hα-helixtrans-69.1-42.4176.7-74.3173.1-175179.10111.7S535 F536 S541 V542 I543 I591 W595S535-K539 WeakPolarHBondContact O-CD 3.47Å; S535-K539 VanDerWaalsContact O-CG 3.24Å; S535-K539 WeakPolarHBondContact O-CG 3.44Å; S535-K539 PolarHBondContact O-N 3.38Å; F536-K539 PolarHBondContact O-N 3.01Å; K539-S541 PolarHBondContact O-N 3.09Å; K539-V542 PolarHBondContact O-N 2.87Å; K539-I543 VanDerWaalsContact O-CG1 3.3Å; K539-I543 WeakPolarHBondContact O-CG1 3.36Å; K539-I543 PolarHBondContact O-N 2.94Å; K539-I591 HydrophobicContact CB-CD1 4.48Å; K539-I591 HydrophobicContact CB-CG2 4.07Å; K539-I591 HydrophobicContact CD-CG2 4.03Å; K539-I591 HydrophobicContact CG-CG2 4.22Å; K539-W595 HydrophobicContact CB-CH2 4.41Å; K539-W595 HydrophobicContact CB-CZ2 3.94Å; K539-W595 HydrophobicContact CD-CZ2 4Å
540M92.4Very high92Very high33 Ų3337.8 Ų37.816%0.16320%0.202CC..Hα-helixtrans-63.4-40179.8-176.3-90.6-88.700112.2V405 Y464 F536 K537 V542 I543 L544V405-M540 HydrophobicContact CG1-CE 3.8Å; V405-M540 HydrophobicContact CG1-SD 4.06Å; V405-M540 HydrophobicContact CG2-CE 4.48Å; Y464-M540 HydrophobicContact CE1-CE 3.79Å; Y464-M540 WeakPolarHBondContact OH-CE 3.36Å; F536-M540 WeakPolarHBondContact O-CB 3.1Å; F536-M540 PolarHBondContact O-N 2.95Å; K537-M540 PolarHBondContact O-N 2.65Å; M540-V542 PolarHBondContact O-N 3.32Å; M540-I543 PolarHBondContact O-N 3.37Å; M540-L544 PolarHBondContact O-N 3.5Å; M540-L544 HydrophobicContact SD-CD1 3.33Å; M540-L544 WeakPolarHBondContact SD-CD1 3.47Å; M540-L544 HydrophobicContact SD-CG 3.89Å
541S93.9Very high92.2Very high1 Ų137.3 Ų37.31%0.00720%0.196CC..Hα-helixtrans-62.3-40.417764.40000112.8K537 M538 K539 G545K537-S541 PolarHBondContact O-N 3.03Å; K537-S541 PolarHBondContact O-OG 3.1Å; M538-S541 PolarHBondContact O-OG 3.42Å; K539-S541 PolarHBondContact O-N 3.09Å; S541-G545 PolarHBondContact O-N 3.43Å
542V93.6Very high92.3Very high21 Ų2133 Ų3313%0.12717%0.166CC..Hα-helixtrans-66-43.2175.41760000111.1M538 K539 M540 G545 V546 L587 L740M538-V542 WeakPolarHBondContact O-CG2 3.48Å; M538-V542 PolarHBondContact O-N 3.43Å; K539-V542 PolarHBondContact O-N 2.87Å; M540-V542 PolarHBondContact O-N 3.32Å; V542-G545 PolarHBondContact O-N 2.93Å; V542-V546 HydrophobicContact CG1-CG2 4.28Å; V542-V546 VanDerWaalsContact O-CG2 3.31Å; V542-V546 WeakPolarHBondContact O-CG2 3.35Å; V542-V546 PolarHBondContact O-N 3.46Å; V542-L587 HydrophobicContact CG1-CD2 4.04Å; V542-L740 HydrophobicContact CG2-CD2 4.08Å
543I94.5Very high92.3Very high13 Ų1329.4 Ų29.47%0.06715%0.151CC..Hα-helixtrans-59.7-50.4177.5-65.9169.3000110.7K539 M540 G545 V546 I547 V588 I591 F592 W595K539-I543 VanDerWaalsContact O-CG1 3.3Å; K539-I543 WeakPolarHBondContact O-CG1 3.36Å; K539-I543 PolarHBondContact O-N 2.94Å; M540-I543 PolarHBondContact O-N 3.37Å; I543-G545 VanDerWaalsContact C-N 3.34Å; I543-G545 PolarHBondContact O-N 2.8Å; I543-V546 PolarHBondContact O-N 3.14Å; I543-I547 HydrophobicContact CG2-CD1 3.7Å; I543-I547 VanDerWaalsContact O-CG1 3.31Å; I543-I547 WeakPolarHBondContact O-CG1 3.23Å; I543-I547 PolarHBondContact O-N 3.32Å; I543-V588 HydrophobicContact CG1-CG1 4.21Å; I543-V588 HydrophobicContact CG1-CG2 4.43Å; I543-V588 HydrophobicContact CG2-CG1 4.28Å; I543-I591 HydrophobicContact CD1-CB 4.49Å; I543-I591 HydrophobicContact CD1-CG2 3.83Å; I543-I591 HydrophobicContact CG1-CD1 4.15Å; I543-I591 HydrophobicContact CG1-CG2 4.48Å; I543-F592 HydrophobicContact CD1-CE1 4.4Å; I543-F592 HydrophobicContact CD1-CE2 4.15Å; I543-F592 HydrophobicContact CD1-CZ 3.94Å; I543-F592 HydrophobicContact CG1-CE2 4.5Å; I543-F592 HydrophobicContact CG2-CE2 4.15Å; I543-F592 HydrophobicContact CG2-CZ 4.07Å; I543-W595 HydrophobicContact CD1-CH2 3.68Å; I543-W595 HydrophobicContact CD1-CZ3 3.66Å
544L93.6Very high92.4Very high38 Ų3830.9 Ų30.920%0.19916%0.16CC..Hα-helixtrans-61.5-43.1178.7-72.8-176000111.8F401 V405 M540 H548 L742F401-L544 HydrophobicContact CE1-CD1 4.02Å; F401-L544 HydrophobicContact CE1-CD2 3.91Å; F401-L544 HydrophobicContact CZ-CD1 4.45Å; F401-L544 HydrophobicContact CZ-CD2 4.32Å; V405-L544 HydrophobicContact CG1-CD1 4.27Å; V405-L544 HydrophobicContact CG2-CD1 3.82Å; M540-L544 PolarHBondContact O-N 3.5Å; M540-L544 HydrophobicContact SD-CD1 3.33Å; M540-L544 WeakPolarHBondContact SD-CD1 3.47Å; M540-L544 HydrophobicContact SD-CG 3.89Å; L544-H548 WeakPolarHBondContact O-CB 3.39Å; L544-H548 PolarHBondContact O-N 3.21Å; L544-L742 HydrophobicContact CB-CD1 4.48Å
545G92.9Very high92.3Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-61-48.4179.100000113S541 V542 I543 H548 M549 Y739S541-G545 PolarHBondContact O-N 3.43Å; V542-G545 PolarHBondContact O-N 2.93Å; I543-G545 VanDerWaalsContact C-N 3.34Å; I543-G545 PolarHBondContact O-N 2.8Å; G545-H548 PolarHBondContact O-N 3Å; G545-M549 WeakPolarHBondContact O-CE 3.49Å; G545-M549 WeakPolarHBondContact O-CG 3.5Å; G545-M549 PolarHBondContact O-N 2.92Å; G545-Y739 VanDerWaalsContact CA-CD1 3.46Å; G545-Y739 VanDerWaalsContact CA-CD2 3.47Å
546V93.4Very high92.1Very high1 Ų125.9 Ų25.91%0.00613%0.13CC..Hα-helixtrans-65.6-43-179.6174.50000111.3V542 I543 H548 M549 L550 F584 V588 T736V542-V546 HydrophobicContact CG1-CG2 4.28Å; V542-V546 VanDerWaalsContact O-CG2 3.31Å; V542-V546 WeakPolarHBondContact O-CG2 3.35Å; V542-V546 PolarHBondContact O-N 3.46Å; I543-V546 PolarHBondContact O-N 3.14Å; V546-H548 PolarHBondContact O-N 3.19Å; V546-M549 HydrophobicContact CG2-CE 4.49Å; V546-M549 PolarHBondContact O-N 3.45Å; V546-L550 HydrophobicContact CG1-CD1 3.81Å; V546-L550 HydrophobicContact CG1-CG 4.29Å; V546-L550 VanDerWaalsContact O-CB 3.32Å; V546-L550 WeakPolarHBondContact O-CB 3.15Å; V546-L550 VanDerWaalsContact O-CG 3.24Å; V546-L550 WeakPolarHBondContact O-CG 3.43Å; V546-L550 PolarHBondContact O-N 2.92Å; V546-F584 HydrophobicContact CG1-CB 4.05Å; V546-F584 HydrophobicContact CG2-CB 3.8Å; V546-V588 HydrophobicContact CB-CG2 3.79Å; V546-V588 HydrophobicContact CG1-CG2 3.88Å; V546-V588 HydrophobicContact CG2-CG2 4.07Å; V546-T736 HydrophobicContact CG2-CG2 3.96Å
547I93.6Very high92.1Very high94 Ų9425.7 Ų25.748%0.48213%0.131SC..Hα-helixtrans-63.3-43176.8-67.3170.7000110.8I543 L550 F551I543-I547 HydrophobicContact CG2-CD1 3.7Å; I543-I547 VanDerWaalsContact O-CG1 3.31Å; I543-I547 WeakPolarHBondContact O-CG1 3.23Å; I543-I547 PolarHBondContact O-N 3.32Å; I547-L550 PolarHBondContact O-N 3.37Å; I547-F551 WeakPolarHBondContact O-CB 3.5Å; I547-F551 PolarHBondContact O-N 3.38Å
548H93.5Very high91.9Very high15 Ų1530.2 Ų30.27%0.06915%0.151CC..Hα-helixtrans-66-41.4179.9-174.4-132.4000112.5L544 G545 V546 F551 G552 Y739 H807 F811L544-H548 WeakPolarHBondContact O-CB 3.39Å; L544-H548 PolarHBondContact O-N 3.21Å; G545-H548 PolarHBondContact O-N 3Å; V546-H548 PolarHBondContact O-N 3.19Å; H548-F551 WeakPolarHBondContact O-CB 3.43Å; H548-F551 PolarHBondContact O-N 3.34Å; H548-G552 PolarHBondContact O-N 3.12Å; H548-Y739 AromaticContact ND1-CE1 3.99Å; H548-Y739 AromaticContact ND1-CZ 3.8Å; H548-Y739 PolarHBondContact ND1-OH 3Å; H548-H807 AromaticContact NE2-NE2 3.95Å; H548-F811 AromaticContact CD2-CD2 3.81Å; H548-F811 AromaticContact CE1-CD2 3.8Å; H548-F811 AromaticContact CE1-CG 3.84Å; H548-F811 AromaticContact NE2-CD2 3.44Å; H548-F811 WeakPolarHBondContact NE2-CD2 3.27Å; H548-F811 AromaticContact NE2-CE2 3.91Å; H548-F811 AromaticContact NE2-CG 3.73Å
549M91.5Very high91.7Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-69.2-42.5175.1-73.8-175.6-65.100112.7G545 V546 F551 G552 V553 M580 N735 T736 Y739G545-M549 WeakPolarHBondContact O-CE 3.49Å; G545-M549 WeakPolarHBondContact O-CG 3.5Å; G545-M549 PolarHBondContact O-N 2.92Å; V546-M549 HydrophobicContact CG2-CE 4.49Å; V546-M549 PolarHBondContact O-N 3.45Å; M549-F551 PolarHBondContact O-N 2.94Å; M549-G552 PolarHBondContact O-N 3.48Å; M549-G552 VanDerWaalsContact O-N 3.09Å; M549-V553 WeakPolarHBondContact O-CG2 3.2Å; M549-V553 PolarHBondContact O-N 3.49Å; M549-M580 HydrophobicContact CB-CE 3.94Å; M549-M580 HydrophobicContact CB-SD 3.91Å; M549-M580 HydrophobicContact SD-CE 4.48Å; M549-N735 HydrophobicContact SD-CB 3.71Å; M549-T736 HydrophobicContact CE-CG2 4.29Å; M549-T736 WeakPolarHBondContact CE-OG1 3.43Å; M549-Y739 HydrophobicContact CE-CD2 4.06Å; M549-Y739 HydrophobicContact CE-CE2 3.91Å; M549-Y739 HydrophobicContact CG-CE2 3.63Å; M549-Y739 HydrophobicContact SD-CD2 4.32Å; M549-Y739 HydrophobicContact SD-CE2 3.72Å
550L91.9Very high91.3Very high37 Ų3727.8 Ų27.819%0.19414%0.139CC..Hα-helixtrans-58.3-41.4174.5-77.2171000110.3V546 I547 V553 T554 I577 M580V546-L550 HydrophobicContact CG1-CD1 3.81Å; V546-L550 HydrophobicContact CG1-CG 4.29Å; V546-L550 VanDerWaalsContact O-CB 3.32Å; V546-L550 WeakPolarHBondContact O-CB 3.15Å; V546-L550 VanDerWaalsContact O-CG 3.24Å; V546-L550 WeakPolarHBondContact O-CG 3.43Å; V546-L550 PolarHBondContact O-N 2.92Å; I547-L550 PolarHBondContact O-N 3.37Å; L550-V553 PolarHBondContact O-N 3.48Å; L550-T554 WeakPolarHBondContact O-CG2 3.4Å; L550-T554 PolarHBondContact O-N 3.1Å; L550-I577 HydrophobicContact CD2-CD1 3.57Å; L550-M580 HydrophobicContact CD2-CB 4.15Å; L550-M580 HydrophobicContact CD2-CG 3.81Å; L550-M580 HydrophobicContact CD2-SD 3.63Å; L550-M580 HydrophobicContact CG-CG 4.35Å; L550-M580 HydrophobicContact CG-SD 3.86Å
551F92.5Very high91.1Very high71 Ų7131.6 Ų31.631%0.31116%0.16SC..Hα-helixtrans-59.4-46.5173.4-179.4-118.4000111.9Y394 I547 H548 M549 V553 T554 L555 F811Y394-F551 AromaticContact CD1-CE1 3.8Å; Y394-F551 HydrophobicContact CD1-CE1 3.8Å; Y394-F551 AromaticContact CD1-CZ 3.64Å; Y394-F551 HydrophobicContact CD1-CZ 3.64Å; Y394-F551 HydrophobicContact CD2-CE1 4.43Å; Y394-F551 HydrophobicContact CE1-CE1 4.16Å; Y394-F551 AromaticContact CE1-CZ 3.53Å; Y394-F551 HydrophobicContact CE1-CZ 3.53Å; Y394-F551 HydrophobicContact CE2-CZ 4.42Å; Y394-F551 AromaticContact CG-CE1 3.93Å; Y394-F551 HydrophobicContact CG-CE1 3.93Å; Y394-F551 HydrophobicContact CG-CZ 4.14Å; Y394-F551 AromaticContact CZ-CZ 3.9Å; I547-F551 WeakPolarHBondContact O-CB 3.5Å; I547-F551 PolarHBondContact O-N 3.38Å; H548-F551 WeakPolarHBondContact O-CB 3.43Å; H548-F551 PolarHBondContact O-N 3.34Å; M549-F551 PolarHBondContact O-N 2.94Å; F551-V553 PolarHBondContact O-N 2.89Å; F551-T554 WeakPolarHBondContact CA-OG1 3.21Å; F551-T554 PolarHBondContact O-N 3.38Å; F551-T554 VanDerWaalsContact O-N 3.14Å; F551-T554 PolarHBondContact O-OG1 3.31Å; F551-L555 HydrophobicContact CE1-CD1 4.18Å; F551-L555 HydrophobicContact CE2-CD2 4.34Å; F551-L555 HydrophobicContact CZ-CD1 4.32Å; F551-L555 HydrophobicContact CZ-CD2 4.19Å; F551-L555 HydrophobicContact CZ-CG 4.45Å; F551-L555 PolarHBondContact O-N 3.02Å; F551-F811 AromaticContact CD1-CE2 3.64Å; F551-F811 HydrophobicContact CD1-CE2 3.64Å; F551-F811 AromaticContact CD1-CZ 3.98Å; F551-F811 HydrophobicContact CD1-CZ 3.98Å; F551-F811 HydrophobicContact CE1-CE2 4.13Å; F551-F811 AromaticContact CE1-CZ 3.98Å; F551-F811 HydrophobicContact CE1-CZ 3.98Å
552G90.3Very high90.7Very high0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-57.3-45174.700000113.4H548 M549 T554 L555 F815H548-G552 PolarHBondContact O-N 3.12Å; M549-G552 PolarHBondContact O-N 3.48Å; M549-G552 VanDerWaalsContact O-N 3.09Å; G552-T554 VanDerWaalsContact C-N 3.32Å; G552-T554 PolarHBondContact O-N 3.44Å; G552-L555 WeakPolarHBondContact O-CB 3.11Å; G552-L555 PolarHBondContact O-N 3.39Å; G552-L555 VanDerWaalsContact O-N 3.13Å; G552-F815 WeakPolarHBondContact O-CD1 3.4Å
553V91.1Very high90.4Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-64.1-36.9176.4177.50000111.1M549 L550 F551 L555 S556 F573 E576 I577 M580 K814M549-V553 WeakPolarHBondContact O-CG2 3.2Å; M549-V553 PolarHBondContact O-N 3.49Å; L550-V553 PolarHBondContact O-N 3.48Å; F551-V553 PolarHBondContact O-N 2.89Å; V553-L555 PolarHBondContact O-N 3.48Å; V553-S556 PolarHBondContact O-N 2.85Å; V553-S556 PolarHBondContact O-OG 3.48Å; V553-F573 HydrophobicContact CG1-CD2 4.15Å; V553-F573 HydrophobicContact CG1-CE2 4.06Å; V553-F573 VanDerWaalsContact O-CE2 3.31Å; V553-F573 WeakPolarHBondContact O-CE2 3.38Å; V553-E576 HydrophobicContact CG1-CB 4.29Å; V553-I577 HydrophobicContact CB-CD1 4.39Å; V553-I577 HydrophobicContact CG1-CB 4.23Å; V553-I577 HydrophobicContact CG1-CD1 4.08Å; V553-M580 HydrophobicContact CG2-CE 3.96Å; V553-M580 HydrophobicContact CG2-SD 4.27Å; V553-K814 HydrophobicContact CG2-CB 4.1Å; V553-K814 HydrophobicContact CG2-CD 4.11Å; V553-K814 HydrophobicContact CG2-CG 4.01Å
554T90.7Very high89.9Confident47 Ų4747 Ų4729%0.28822%0.223SC..Hα-helixtrans-64.3-25.417560.60000113.8L550 F551 G552 S556 L557 F558 I577L550-T554 WeakPolarHBondContact O-CG2 3.4Å; L550-T554 PolarHBondContact O-N 3.1Å; F551-T554 WeakPolarHBondContact CA-OG1 3.21Å; F551-T554 PolarHBondContact O-N 3.38Å; F551-T554 VanDerWaalsContact O-N 3.14Å; F551-T554 PolarHBondContact O-OG1 3.31Å; G552-T554 VanDerWaalsContact C-N 3.32Å; G552-T554 PolarHBondContact O-N 3.44Å; T554-S556 VanDerWaalsContact C-N 3.32Å; T554-S556 PolarHBondContact O-N 3.46Å; T554-L557 WeakPolarHBondContact O-CB 3.44Å; T554-L557 PolarHBondContact O-N 3.49Å; T554-F558 WeakPolarHBondContact O-CD2 3.47Å; T554-I577 HydrophobicContact CG2-CD1 4.32Å
555L89.8Confident89.4Confident1 Ų150.7 Ų50.71%0.00524%0.237CC..Hα-helixtrans-69.6-29175.6-64.1177.7000112.6Y394 F551 G552 V553 L557 F558 N559 F811 F815Y394-L555 HydrophobicContact CD2-CD1 3.87Å; Y394-L555 HydrophobicContact CE2-CD1 3.65Å; Y394-L555 HydrophobicContact CE2-CD2 3.79Å; Y394-L555 HydrophobicContact CE2-CG 4.4Å; Y394-L555 WeakPolarHBondContact OH-CD2 3.41Å; F551-L555 HydrophobicContact CE1-CD1 4.18Å; F551-L555 HydrophobicContact CE2-CD2 4.34Å; F551-L555 HydrophobicContact CZ-CD1 4.32Å; F551-L555 HydrophobicContact CZ-CD2 4.19Å; F551-L555 HydrophobicContact CZ-CG 4.45Å; F551-L555 PolarHBondContact O-N 3.02Å; G552-L555 WeakPolarHBondContact O-CB 3.11Å; G552-L555 PolarHBondContact O-N 3.39Å; G552-L555 VanDerWaalsContact O-N 3.13Å; V553-L555 PolarHBondContact O-N 3.48Å; L555-L557 VanDerWaalsContact C-N 3.25Å; L555-L557 PolarHBondContact O-N 2.77Å; L555-F558 HydrophobicContact CD2-CD2 4.39Å; L555-F558 PolarHBondContact O-N 2.95Å; L555-F558 VanDerWaalsContact O-N 3.17Å; L555-N559 PolarHBondContact O-N 3.36Å; L555-F811 HydrophobicContact CD1-CE1 4.47Å; L555-F811 HydrophobicContact CD1-CE2 4.32Å; L555-F811 HydrophobicContact CD1-CZ 3.68Å; L555-F815 HydrophobicContact CB-CB 4.11Å; L555-F815 HydrophobicContact CB-CD1 4.01Å; L555-F815 HydrophobicContact CB-CD2 4.11Å; L555-F815 HydrophobicContact CB-CE1 4.48Å; L555-F815 HydrophobicContact CB-CG 3.8Å; L555-F815 HydrophobicContact CD1-CD1 4.16Å; L555-F815 HydrophobicContact CD1-CE1 3.79Å; L555-F815 HydrophobicContact CD1-CE2 4.18Å; L555-F815 HydrophobicContact CD1-CZ 3.8Å
556S87.4Confident88.7Confident5 Ų554.7 Ų54.74%0.03526%0.263CS..Hα-helixtrans-64-32.517778.30000112.1V553 T554 F558 N559 H560 K814V553-S556 PolarHBondContact O-N 2.85Å; V553-S556 PolarHBondContact O-OG 3.48Å; T554-S556 VanDerWaalsContact C-N 3.32Å; T554-S556 PolarHBondContact O-N 3.46Å; S556-F558 PolarHBondContact O-N 3.36Å; S556-N559 WeakPolarHBondContact O-CB 3.29Å; S556-N559 PolarHBondContact O-N 3.49Å; S556-H560 PolarHBondContact O-CD2 3.11Å; S556-H560 VanDerWaalsContact O-CD2 3.26Å; S556-H560 PolarHBondContact O-N 2.92Å; S556-K814 WeakPolarHBondContact CB-O 3.26Å
557L89.8Confident88.1Confident52 Ų5256.2 Ų56.227%0.27227%0.271SS..Hα-helixtrans-59.3-45.6173.3178.463.1000111.9T554 L555 N559 H560 L561 I569 F573T554-L557 WeakPolarHBondContact O-CB 3.44Å; T554-L557 PolarHBondContact O-N 3.49Å; L555-L557 VanDerWaalsContact C-N 3.25Å; L555-L557 PolarHBondContact O-N 2.77Å; L557-N559 VanDerWaalsContact C-N 3.28Å; L557-N559 PolarHBondContact O-N 2.99Å; L557-H560 PolarHBondContact O-N 3.26Å; L557-L561 VanDerWaalsContact O-CB 3.31Å; L557-L561 WeakPolarHBondContact O-CB 3.36Å; L557-L561 PolarHBondContact O-N 3.33Å; L557-I569 HydrophobicContact CD1-CG1 4.42Å; L557-I569 HydrophobicContact CD1-CG2 3.79Å; L557-F573 HydrophobicContact CB-CD1 4.13Å; L557-F573 HydrophobicContact CB-CD2 3.89Å; L557-F573 HydrophobicContact CB-CE1 4.06Å; L557-F573 HydrophobicContact CB-CE2 3.82Å; L557-F573 HydrophobicContact CB-CG 4.04Å; L557-F573 HydrophobicContact CB-CZ 3.9Å; L557-F573 HydrophobicContact CD1-CD1 3.77Å; L557-F573 HydrophobicContact CD1-CE1 4.03Å; L557-F573 HydrophobicContact CD1-CG 4.23Å; L557-F573 HydrophobicContact CD2-CD1 4.34Å; L557-F573 HydrophobicContact CD2-CE1 3.73Å; L557-F573 HydrophobicContact CD2-CZ 3.92Å; L557-F573 HydrophobicContact CG-CD1 4.29Å; L557-F573 HydrophobicContact CG-CE1 4.14Å; L557-F573 HydrophobicContact CG-CZ 4.38Å
558F88.2Confident87.6Confident102 Ų10253.2 Ų53.245%0.44726%0.256SS..Hα-helixtrans-67.5-29.1179.6-68.7-77.1000112.5R6 I389 T554 L555 S556 Y562R6-F558 PolarHBondContact NH2-O 3.15Å; I389-F558 HydrophobicContact CD1-CB 3.4Å; I389-F558 VanDerWaalsContact CD1-CB 3.4Å; T554-F558 WeakPolarHBondContact O-CD2 3.47Å; L555-F558 HydrophobicContact CD2-CD2 4.39Å; L555-F558 PolarHBondContact O-N 2.95Å; L555-F558 VanDerWaalsContact O-N 3.17Å; S556-F558 PolarHBondContact O-N 3.36Å; F558-Y562 WeakPolarHBondContact O-CB 3.36Å; F558-Y562 PolarHBondContact O-N 2.86Å
559N87.6Confident87.2Confident7 Ų754 Ų544%0.03726%0.26CS..Hα-helixtrans-67.1-53.2170.2-84.9-17.1000110.7I389 L555 S556 L557 L561 Y562 F563 F815I389-N559 VanDerWaalsContact CD1-OD1 3.29Å; I389-N559 WeakPolarHBondContact CD1-OD1 3.19Å; I389-N559 WeakPolarHBondContact CG1-OD1 3.32Å; I389-N559 PolarHBondContact N-OD1 2.94Å; I389-N559 VanDerWaalsContact N-OD1 3.12Å; L555-N559 PolarHBondContact O-N 3.36Å; S556-N559 WeakPolarHBondContact O-CB 3.29Å; S556-N559 PolarHBondContact O-N 3.49Å; L557-N559 VanDerWaalsContact C-N 3.28Å; L557-N559 PolarHBondContact O-N 2.99Å; N559-L561 VanDerWaalsContact C-N 3.34Å; N559-L561 PolarHBondContact O-N 2.9Å; N559-Y562 PolarHBondContact O-N 3.4Å; N559-F563 WeakPolarHBondContact O-CD2 3.24Å; N559-F563 PolarHBondContact O-N 3.37Å; N559-F815 PolarHBondContact ND2-O 3.37Å
560H86.1Confident86.8Confident46 Ų4661.7 Ų61.721%0.21329%0.29CS..Hα-helixtrans-64.2-35.5-178.2-64.2-35.6000113.9S556 L557 Y562 K564 K565 I569S556-H560 PolarHBondContact O-CD2 3.11Å; S556-H560 VanDerWaalsContact O-CD2 3.26Å; S556-H560 PolarHBondContact O-N 2.92Å; L557-H560 PolarHBondContact O-N 3.26Å; H560-Y562 VanDerWaalsContact C-N 3.34Å; H560-K564 PolarHBondContact O-N 3.17Å; H560-K565 PolarHBondContact O-N 3.36Å; H560-I569 HydrophobicContact CB-CD1 4.37Å; H560-I569 HydrophobicContact CB-CG1 3.64Å
561L87.5Confident86.3Confident113 Ų11361 Ų6159%0.59229%0.287SS*.Hα-helixtrans-63.7-41.8175.3-170.567.7000111.2L557 N559 K564 I569L557-L561 VanDerWaalsContact O-CB 3.31Å; L557-L561 WeakPolarHBondContact O-CB 3.36Å; L557-L561 PolarHBondContact O-N 3.33Å; N559-L561 VanDerWaalsContact C-N 3.34Å; N559-L561 PolarHBondContact O-N 2.9Å; L561-K564 PolarHBondContact O-N 3.07Å; L561-I569 HydrophobicContact CD1-CD1 4.4Å
562Y86.4Confident85.8Confident91 Ų9157.9 Ų57.936%0.35728%0.275SS..Hα-helixtrans-70.6-44.1-179.2-179.6-94.6000113R6 R387 F558 N559 H560 K564R6-Y562 VanDerWaalsContact CZ-CG 3.46Å; R6-Y562 VanDerWaalsContact NH2-CB 3.29Å; R387-Y562 HydrophobicContact CB-CE1 3.91Å; R387-Y562 WeakPolarHBondContact CD-OH 3.45Å; R387-Y562 VanDerWaalsContact NE-CZ 3.33Å; R387-Y562 PolarHBondContact NE-OH 2.93Å; R387-Y562 VanDerWaalsContact NE-OH 3.08Å; R387-Y562 PolarHBondContact NH1-OH 2.92Å; R387-Y562 PolarHBondContact NH2-OH 2.95Å; F558-Y562 WeakPolarHBondContact O-CB 3.36Å; F558-Y562 PolarHBondContact O-N 2.86Å; N559-Y562 PolarHBondContact O-N 3.4Å; H560-Y562 VanDerWaalsContact C-N 3.34Å; Y562-K564 PolarHBondContact O-N 3.45Å; Y562-K564 VanDerWaalsContact O-N 3.15Å
563F86Confident85.7Confident85 Ų8559 Ų5937%0.37328%0.28SS..THydrogen-bonded Turntrans-731.2175-70.5-68.1000113.5R387 N559 K565R387-F563 HydrophobicContact CB-CE1 4.45Å; R387-F563 HydrophobicContact CB-CZ 4.41Å; N559-F563 WeakPolarHBondContact O-CD2 3.24Å; N559-F563 PolarHBondContact O-N 3.37Å; F563-K565 VanDerWaalsContact C-N 3.28Å; F563-K565 HydrophobicContact CB-CG 4.29Å; F563-K565 PolarHBondContact O-N 3.46Å
564K84.9Confident85.6Confident182 Ų18262.5 Ų62.579%0.79130%0.298SS*.THydrogen-bonded Turntrans51.742.9179.8-58.3178.8-177.41760112.9H560 L561 Y562 P566H560-K564 PolarHBondContact O-N 3.17Å; L561-K564 PolarHBondContact O-N 3.07Å; Y562-K564 PolarHBondContact O-N 3.45Å; Y562-K564 VanDerWaalsContact O-N 3.15Å; K564-P566 WeakPolarHBondContact O-CD 3.3Å
565K82.1Confident85.6Confident116 Ų11660.5 Ų60.550%0.50429%0.285SS..  trans-103.183.9177.5-67.2-173.2-179.7179.70110.7H560 F563 L567 N568H560-K565 PolarHBondContact O-N 3.36Å; F563-K565 VanDerWaalsContact C-N 3.28Å; F563-K565 HydrophobicContact CB-CG 4.29Å; F563-K565 PolarHBondContact O-N 3.46Å; K565-L567 VanDerWaalsContact C-N 3.27Å; K565-L567 PolarHBondContact O-N 3.25Å; K565-N568 HydrophobicContact CB-CB 4.48Å; K565-N568 PolarHBondContact O-N 2.92Å
566P79.4Confident85.6Confident83 Ų8361.2 Ų61.254%0.53929%0.289SS..Hα-helixtrans-64.2-30.8-172.726.5-35.6000113.1K564 N568 I569 Y570K564-P566 WeakPolarHBondContact O-CD 3.3Å; P566-N568 VanDerWaalsContact C-N 3.34Å; P566-N568 PolarHBondContact O-N 3.48Å; P566-I569 PolarHBondContact O-N 2.9Å; P566-Y570 VanDerWaalsContact O-CD2 3.29Å; P566-Y570 WeakPolarHBondContact O-CD2 3.39Å; P566-Y570 PolarHBondContact O-N 3.48Å
567L80.3Confident85.8Confident33 Ų3362.6 Ų62.617%0.17330%0.295CS..Hα-helixtrans-59.2-43.8178.6-169.687.7000112.2K565 I569 Y570 L571 K655 V658 L659K565-L567 VanDerWaalsContact C-N 3.27Å; K565-L567 PolarHBondContact O-N 3.25Å; L567-I569 VanDerWaalsContact C-N 3.27Å; L567-I569 PolarHBondContact O-N 2.93Å; L567-Y570 PolarHBondContact O-N 3.36Å; L567-L571 HydrophobicContact CD1-CD1 3.68Å; L567-L571 HydrophobicContact CG-CD1 4.05Å; L567-L571 WeakPolarHBondContact O-CB 3.42Å; L567-L571 PolarHBondContact O-N 3.07Å; L567-K655 HydrophobicContact CD2-CG 4.01Å; L567-V658 HydrophobicContact CD1-CB 4.12Å; L567-V658 HydrophobicContact CD1-CG1 3.43Å; L567-V658 VanDerWaalsContact CD1-CG1 3.43Å; L567-L659 HydrophobicContact CD2-CD1 3.97Å; L567-L659 HydrophobicContact CD2-CD2 3.7Å; L567-L659 HydrophobicContact CD2-CG 3.63Å
568N82.1Confident85.8Confident32 Ų3263.2 Ų63.217%0.17130%0.299CS..Hα-helixtrans-70.6-25.8-178.5-70.6-11.2000112.2K565 P566 G572 F573 K655K565-N568 HydrophobicContact CB-CB 4.48Å; K565-N568 PolarHBondContact O-N 2.92Å; P566-N568 VanDerWaalsContact C-N 3.34Å; P566-N568 PolarHBondContact O-N 3.48Å; N568-G572 VanDerWaalsContact O-CA 3.22Å; N568-G572 WeakPolarHBondContact O-CA 3.19Å; N568-G572 PolarHBondContact O-N 2.93Å; N568-F573 PolarHBondContact O-N 3.36Å; N568-F573 VanDerWaalsContact O-N 3.07Å; N568-K655 WeakPolarHBondContact OD1-CE 3.31Å
569I85.1Confident86Confident32 Ų3259.2 Ų59.216%0.16428%0.281CS..Iπ-helixtrans-68.6-53.3175.2-58.9175000109.8L557 H560 L561 P566 L567 F573 I574L557-I569 HydrophobicContact CD1-CG1 4.42Å; L557-I569 HydrophobicContact CD1-CG2 3.79Å; H560-I569 HydrophobicContact CB-CD1 4.37Å; H560-I569 HydrophobicContact CB-CG1 3.64Å; L561-I569 HydrophobicContact CD1-CD1 4.4Å; P566-I569 PolarHBondContact O-N 2.9Å; L567-I569 VanDerWaalsContact C-N 3.27Å; L567-I569 PolarHBondContact O-N 2.93Å; I569-F573 PolarHBondContact O-N 3.49Å; I569-I574 PolarHBondContact O-N 2.93Å
570Y84.7Confident86.1Confident161 Ų16158.9 Ų58.963%0.63128%0.279SS*.Iπ-helixtrans-72.8-38.4-175.8-71.3-69.5000113.6P566 L567 I574 P575P566-Y570 VanDerWaalsContact O-CD2 3.29Å; P566-Y570 WeakPolarHBondContact O-CD2 3.39Å; P566-Y570 PolarHBondContact O-N 3.48Å; L567-Y570 PolarHBondContact O-N 3.36Å; Y570-I574 HydrophobicContact CD1-CD1 3.89Å; Y570-I574 HydrophobicContact CE1-CD1 4.45Å; Y570-P575 WeakPolarHBondContact O-CD 3.33Å
571L81.4Confident86.3Confident22 Ų2259 Ų5912%0.11529%0.286CS..Iπ-helixtrans-105.9-6.5-171.3-57.4178.1000114L567 V654 K655 V658L567-L571 HydrophobicContact CD1-CD1 3.68Å; L567-L571 HydrophobicContact CG-CD1 4.05Å; L567-L571 WeakPolarHBondContact O-CB 3.42Å; L567-L571 PolarHBondContact O-N 3.07Å; L571-V654 HydrophobicContact CD1-CG1 4.12Å; L571-V654 HydrophobicContact CD2-CB 4.1Å; L571-V654 HydrophobicContact CD2-CG1 3.58Å; L571-K655 HydrophobicContact CB-CB 4.08Å; L571-K655 HydrophobicContact CB-CG 4.33Å; L571-K655 HydrophobicContact CD1-CB 4.11Å; L571-K655 HydrophobicContact CD1-CG 4.43Å; L571-V658 HydrophobicContact CD1-CB 4.31Å; L571-V658 HydrophobicContact CD1-CG2 4.23Å
572G80.8Confident86.5Confident6 Ų654 Ų546%0.06226%0.26CS..Iπ-helixtrans-111.5-74172.900000111.2N568 I574 P575 E576N568-G572 VanDerWaalsContact O-CA 3.22Å; N568-G572 WeakPolarHBondContact O-CA 3.19Å; N568-G572 PolarHBondContact O-N 2.93Å; G572-I574 PolarHBondContact O-N 2.97Å; G572-P575 VanDerWaalsContact O-CD 3.31Å; G572-P575 WeakPolarHBondContact O-CD 3.45Å; G572-E576 WeakPolarHBondContact O-CB 3.43Å; G572-E576 VanDerWaalsContact O-CG 3.27Å; G572-E576 WeakPolarHBondContact O-CG 3.15Å; G572-E576 PolarHBondContact O-N 3.37Å; G572-E576 VanDerWaalsContact O-N 3.12Å
573F88.4Confident86.6Confident23 Ų2349.9 Ų49.910%0.10124%0.244CC..Iπ-helixtrans-58.4-47.9-171.9171.8-102.5000114.1V553 L557 N568 I569 E576 I577V553-F573 HydrophobicContact CG1-CD2 4.15Å; V553-F573 HydrophobicContact CG1-CE2 4.06Å; V553-F573 VanDerWaalsContact O-CE2 3.31Å; V553-F573 WeakPolarHBondContact O-CE2 3.38Å; L557-F573 HydrophobicContact CB-CD1 4.13Å; L557-F573 HydrophobicContact CB-CD2 3.89Å; L557-F573 HydrophobicContact CB-CE1 4.06Å; L557-F573 HydrophobicContact CB-CE2 3.82Å; L557-F573 HydrophobicContact CB-CG 4.04Å; L557-F573 HydrophobicContact CB-CZ 3.9Å; L557-F573 HydrophobicContact CD1-CD1 3.77Å; L557-F573 HydrophobicContact CD1-CE1 4.03Å; L557-F573 HydrophobicContact CD1-CG 4.23Å; L557-F573 HydrophobicContact CD2-CD1 4.34Å; L557-F573 HydrophobicContact CD2-CE1 3.73Å; L557-F573 HydrophobicContact CD2-CZ 3.92Å; L557-F573 HydrophobicContact CG-CD1 4.29Å; L557-F573 HydrophobicContact CG-CE1 4.14Å; L557-F573 HydrophobicContact CG-CZ 4.38Å; N568-F573 PolarHBondContact O-N 3.36Å; N568-F573 VanDerWaalsContact O-N 3.07Å; I569-F573 PolarHBondContact O-N 3.49Å; F573-E576 PolarHBondContact O-N 3.46Å; F573-I577 HydrophobicContact CE1-CG2 4.19Å; F573-I577 HydrophobicContact CE2-CB 4.19Å; F573-I577 HydrophobicContact CZ-CB 4.2Å; F573-I577 HydrophobicContact CZ-CG1 4.39Å; F573-I577 HydrophobicContact CZ-CG2 4.15Å; F573-I577 WeakPolarHBondContact O-CG2 3.43Å; F573-I577 PolarHBondContact O-N 3.34Å
574I89.9Confident86.8Confident74 Ų7446.3 Ų46.338%0.37923%0.228SC..Hα-helixtrans-62-50.5-176.7-67.1176.9000112I569 Y570 G572 E576 I577 L578I569-I574 PolarHBondContact O-N 2.93Å; Y570-I574 HydrophobicContact CD1-CD1 3.89Å; Y570-I574 HydrophobicContact CE1-CD1 4.45Å; G572-I574 PolarHBondContact O-N 2.97Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.39Å; I574-I577 WeakPolarHBondContact O-CG2 3.45Å; I574-L578 WeakPolarHBondContact O-CB 3.35Å; I574-L578 PolarHBondContact O-N 2.93Å; I574-L578 VanDerWaalsContact O-N 3.14Å
575P90Very high87.1Confident5 Ų538.3 Ų38.33%0.03220%0.197CC..Hα-helixtrans-58.5-40.6173.3-27.334.1000113.7Y570 G572 F579 C647 M651Y570-P575 WeakPolarHBondContact O-CD 3.33Å; G572-P575 VanDerWaalsContact O-CD 3.31Å; G572-P575 WeakPolarHBondContact O-CD 3.45Å; P575-F579 VanDerWaalsContact O-CB 3.23Å; P575-F579 WeakPolarHBondContact O-CB 3.17Å; P575-F579 PolarHBondContact O-N 3.31Å; P575-C647 HydrophobicContact CB-CB 4.3Å; P575-M651 HydrophobicContact CB-CB 4.5Å; P575-M651 HydrophobicContact CB-CE 3.98Å
576E89.2Confident87.5Confident16 Ų1633.3 Ų33.38%0.07518%0.175CC..Hα-helixtrans-63.8-50.2-178.6-78.4179.9-162.600113.2V553 G572 F573 I574 L578 M580 M651 H724 Y728V553-E576 HydrophobicContact CG1-CB 4.29Å; G572-E576 WeakPolarHBondContact O-CB 3.43Å; G572-E576 VanDerWaalsContact O-CG 3.27Å; G572-E576 WeakPolarHBondContact O-CG 3.15Å; G572-E576 PolarHBondContact O-N 3.37Å; G572-E576 VanDerWaalsContact O-N 3.12Å; F573-E576 PolarHBondContact O-N 3.46Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.39Å; E576-L578 VanDerWaalsContact C-N 3.31Å; E576-L578 PolarHBondContact O-N 3.39Å; E576-M580 PolarHBondContact O-N 2.92Å; E576-M580 VanDerWaalsContact O-N 3.12Å; E576-M651 HydrophobicContact CB-CE 4.48Å; E576-M651 HydrophobicContact CG-CE 3.51Å; E576-M651 HydrophobicContact CG-SD 4.38Å; E576-H724 IonicContact OE1-CE1 3.18Å; E576-H724 PolarHBondContact OE1-CE1 3.46Å; E576-Y728 HydrophobicContact CB-CE1 3.96Å; E576-Y728 HydrophobicContact CB-CE2 4.07Å; E576-Y728 WeakPolarHBondContact CB-OH 3.34Å; E576-Y728 HydrophobicContact CG-CD1 4.12Å; E576-Y728 HydrophobicContact CG-CD2 4.14Å; E576-Y728 HydrophobicContact CG-CE1 3.73Å; E576-Y728 HydrophobicContact CG-CE2 3.74Å; E576-Y728 HydrophobicContact CG-CG 4.33Å; E576-Y728 PolarHBondContact O-OH 2.97Å
577I91.3Very high88.1Confident34 Ų3430.5 Ų30.517%0.17416%0.155CC..Hα-helixtrans-67-37.8-179.4-16965.5000111L550 V553 T554 F573 I574 S581L550-I577 HydrophobicContact CD2-CD1 3.57Å; V553-I577 HydrophobicContact CB-CD1 4.39Å; V553-I577 HydrophobicContact CG1-CB 4.23Å; V553-I577 HydrophobicContact CG1-CD1 4.08Å; T554-I577 HydrophobicContact CG2-CD1 4.32Å; F573-I577 HydrophobicContact CE1-CG2 4.19Å; F573-I577 HydrophobicContact CE2-CB 4.19Å; F573-I577 HydrophobicContact CZ-CB 4.2Å; F573-I577 HydrophobicContact CZ-CG1 4.39Å; F573-I577 HydrophobicContact CZ-CG2 4.15Å; F573-I577 WeakPolarHBondContact O-CG2 3.43Å; F573-I577 PolarHBondContact O-N 3.34Å; I574-I577 WeakPolarHBondContact O-CG2 3.45Å; I577-S581 WeakPolarHBondContact O-CB 3.43Å; I577-S581 PolarHBondContact O-N 2.92Å; I577-S581 PolarHBondContact O-OG 3.14Å
578L91.4Very high88.6Confident65 Ų6529.6 Ų29.634%0.3415%0.151SC..Hα-helixtrans-69.7-44.3-178.2-172.6162000110.3I574 E576 M580 S581 S582 I643 C647I574-L578 WeakPolarHBondContact O-CB 3.35Å; I574-L578 PolarHBondContact O-N 2.93Å; I574-L578 VanDerWaalsContact O-N 3.14Å; E576-L578 VanDerWaalsContact C-N 3.31Å; E576-L578 PolarHBondContact O-N 3.39Å; L578-M580 PolarHBondContact O-N 2.91Å; L578-S581 PolarHBondContact O-N 2.74Å; L578-S582 VanDerWaalsContact O-CB 3.31Å; L578-S582 WeakPolarHBondContact O-CB 3.42Å; L578-S582 PolarHBondContact O-N 2.97Å; L578-S582 PolarHBondContact O-OG 3.05Å; L578-S582 VanDerWaalsContact O-OG 3.05Å; L578-I643 HydrophobicContact CD1-CG2 4.33Å; L578-I643 HydrophobicContact CD2-CG2 3.02Å; L578-I643 HydrophobicContact CG-CG2 4.1Å; L578-C647 WeakPolarHBondContact CD2-SG 3.25Å
579F91.6Very high89.1Confident18 Ų1833.2 Ų33.28%0.07917%0.17CC..Hα-helixtrans-59.7-45.3175.2177.3-95.8000112.4P575 S582 L583 A644 C647 V648 Y728 C729 C732P575-F579 VanDerWaalsContact O-CB 3.23Å; P575-F579 WeakPolarHBondContact O-CB 3.17Å; P575-F579 PolarHBondContact O-N 3.31Å; F579-S582 PolarHBondContact O-OG 3.3Å; F579-S582 VanDerWaalsContact O-OG 3.05Å; F579-L583 HydrophobicContact CD2-CD1 4.43Å; F579-L583 HydrophobicContact CE1-CD1 4.24Å; F579-L583 HydrophobicContact CE2-CD1 3.88Å; F579-L583 HydrophobicContact CZ-CD1 3.77Å; F579-L583 PolarHBondContact O-N 3.5Å; F579-A644 HydrophobicContact CD2-CB 4.01Å; F579-A644 HydrophobicContact CE2-CB 4.31Å; F579-C647 HydrophobicContact CB-CB 4.45Å; F579-V648 HydrophobicContact CE2-CG2 4.33Å; F579-Y728 HydrophobicContact CD1-CE1 4.11Å; F579-C729 HydrophobicContact CZ-CB 4.32Å; F579-C732 HydrophobicContact CE1-CB 4.14Å
580M89.9Confident89.3Confident0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-68.9-41.9179.3-173.4-179.2-78.100111.7M549 L550 V553 E576 L578 F584 G585M549-M580 HydrophobicContact CB-CE 3.94Å; M549-M580 HydrophobicContact CB-SD 3.91Å; M549-M580 HydrophobicContact SD-CE 4.48Å; L550-M580 HydrophobicContact CD2-CB 4.15Å; L550-M580 HydrophobicContact CD2-CG 3.81Å; L550-M580 HydrophobicContact CD2-SD 3.63Å; L550-M580 HydrophobicContact CG-CG 4.35Å; L550-M580 HydrophobicContact CG-SD 3.86Å; V553-M580 HydrophobicContact CG2-CE 3.96Å; V553-M580 HydrophobicContact CG2-SD 4.27Å; E576-M580 PolarHBondContact O-N 2.92Å; E576-M580 VanDerWaalsContact O-N 3.12Å; L578-M580 PolarHBondContact O-N 2.91Å; M580-F584 PolarHBondContact O-N 3.41Å; M580-G585 PolarHBondContact O-N 2.91Å
581S90.4Very high89.6Confident49 Ų4924.5 Ų24.534%0.34313%0.134SC..Iπ-helixtrans-68.9-38.1-179.1-59.90000112.5I577 L578 L583 G585 Y586I577-S581 WeakPolarHBondContact O-CB 3.43Å; I577-S581 PolarHBondContact O-N 2.92Å; I577-S581 PolarHBondContact O-OG 3.14Å; L578-S581 PolarHBondContact O-N 2.74Å; S581-L583 PolarHBondContact O-N 3.24Å; S581-G585 CarbonylContact O-C 3.5Å; S581-G585 VanDerWaalsContact O-CA 3.23Å; S581-G585 WeakPolarHBondContact O-CA 3.5Å; S581-G585 PolarHBondContact O-N 2.98Å; S581-Y586 PolarHBondContact O-N 3.05Å; S581-Y586 VanDerWaalsContact O-N 3.12Å
582S90.9Very high90.1Very high7 Ų728.1 Ų28.15%0.04915%0.149CC..Iπ-helixtrans-67.7-34.9-178.661.70000113L578 F579 Y586L578-S582 VanDerWaalsContact O-CB 3.31Å; L578-S582 WeakPolarHBondContact O-CB 3.42Å; L578-S582 PolarHBondContact O-N 2.97Å; L578-S582 PolarHBondContact O-OG 3.05Å; L578-S582 VanDerWaalsContact O-OG 3.05Å; F579-S582 PolarHBondContact O-OG 3.3Å; F579-S582 VanDerWaalsContact O-OG 3.05Å; S582-Y586 VanDerWaalsContact O-CB 3.31Å; S582-Y586 WeakPolarHBondContact O-CB 3.49Å
583L89.3Confident90.6Very high4 Ų431.1 Ų31.12%0.02116%0.16CC..Iπ-helixtrans-91.9-62.8-179.5-60.5179.5000111.7F579 S581 L587 M616 F617 A644F579-L583 HydrophobicContact CD2-CD1 4.43Å; F579-L583 HydrophobicContact CE1-CD1 4.24Å; F579-L583 HydrophobicContact CE2-CD1 3.88Å; F579-L583 HydrophobicContact CZ-CD1 3.77Å; F579-L583 PolarHBondContact O-N 3.5Å; S581-L583 PolarHBondContact O-N 3.24Å; L583-L587 PolarHBondContact O-N 3.09Å; L583-M616 HydrophobicContact CD2-CE 3.97Å; L583-F617 HydrophobicContact CD1-CE1 4.1Å; L583-F617 HydrophobicContact CD1-CZ 4.01Å; L583-F617 HydrophobicContact CD2-CE1 3.74Å; L583-F617 HydrophobicContact CD2-CZ 3.68Å; L583-F617 HydrophobicContact CG-CZ 4.3Å; L583-A644 HydrophobicContact CD1-CB 4.4Å; L583-A644 HydrophobicContact CD2-CB 4.05Å; L583-A644 HydrophobicContact CG-CB 4.15Å
584F89.9Confident90.6Very high11 Ų1132 Ų325%0.04816%0.164CC..Iπ-helixtrans-88.4-33.9-170.6-63.9-69.3000112.7V546 M580 Y586 L587 V588 F613 C732 I733 T736V546-F584 HydrophobicContact CG1-CB 4.05Å; V546-F584 HydrophobicContact CG2-CB 3.8Å; M580-F584 PolarHBondContact O-N 3.41Å; F584-Y586 VanDerWaalsContact C-N 3.28Å; F584-Y586 PolarHBondContact O-N 3.48Å; F584-L587 WeakPolarHBondContact O-CB 3.27Å; F584-L587 PolarHBondContact O-N 2.99Å; F584-V588 PolarHBondContact O-N 3.15Å; F584-V588 VanDerWaalsContact O-N 3.07Å; F584-F613 HydrophobicContact CD1-CZ 4.34Å; F584-F613 HydrophobicContact CE1-CZ 4.07Å; F584-C732 HydrophobicContact CE2-CB 4.27Å; F584-I733 HydrophobicContact CE2-CG1 4.45Å; F584-I733 HydrophobicContact CZ-CB 4.38Å; F584-I733 HydrophobicContact CZ-CG1 4.06Å; F584-T736 HydrophobicContact CD1-CG2 3.64Å; F584-T736 HydrophobicContact CE1-CG2 3.8Å; F584-T736 HydrophobicContact CG-CG2 4.29Å
585G90.6Very high90.5Very high13 Ų1333.5 Ų33.513%0.13417%0.165CC..Iπ-helixtrans-59.5-42.3170.400000111.4M580 S581 L587 V588 I589M580-G585 PolarHBondContact O-N 2.91Å; S581-G585 CarbonylContact O-C 3.5Å; S581-G585 VanDerWaalsContact O-CA 3.23Å; S581-G585 WeakPolarHBondContact O-CA 3.5Å; S581-G585 PolarHBondContact O-N 2.98Å; G585-L587 PolarHBondContact O-N 2.98Å; G585-V588 PolarHBondContact O-N 2.97Å; G585-I589 WeakPolarHBondContact O-CG1 3.09Å; G585-I589 PolarHBondContact O-N 3.23Å
586Y91.4Very high90.4Very high11 Ų1138.9 Ų38.94%0.04320%0.198CC..Hα-helixtrans-62.6-40.5173.5179.9-114.4000113S581 S582 F584 V588 I589 L590 M616 Y630 L636 Q637 L640S581-Y586 PolarHBondContact O-N 3.05Å; S581-Y586 VanDerWaalsContact O-N 3.12Å; S582-Y586 VanDerWaalsContact O-CB 3.31Å; S582-Y586 WeakPolarHBondContact O-CB 3.49Å; F584-Y586 VanDerWaalsContact C-N 3.28Å; F584-Y586 PolarHBondContact O-N 3.48Å; Y586-V588 VanDerWaalsContact C-N 3.3Å; Y586-V588 PolarHBondContact O-N 2.7Å; Y586-I589 PolarHBondContact O-N 3.39Å; Y586-L590 HydrophobicContact CD1-CD1 3.94Å; Y586-L590 HydrophobicContact CD1-CG 4.35Å; Y586-L590 HydrophobicContact CE1-CD1 3.46Å; Y586-L590 VanDerWaalsContact CE1-CD1 3.46Å; Y586-L590 HydrophobicContact CE1-CD2 4.26Å; Y586-L590 HydrophobicContact CE1-CG 3.94Å; Y586-L590 HydrophobicContact CE2-CD2 4.07Å; Y586-L590 HydrophobicContact CE2-CG 4.14Å; Y586-L590 WeakPolarHBondContact O-CG 3.25Å; Y586-L590 PolarHBondContact O-N 2.74Å; Y586-M616 HydrophobicContact CD1-SD 3.86Å; Y586-M616 HydrophobicContact CE1-SD 3.99Å; Y586-Y630 WeakPolarHBondContact OH-CE1 3.31Å; Y586-Y630 PolarHBondContact OH-OH 2.96Å; Y586-L636 HydrophobicContact CE2-CD2 3.95Å; Y586-Q637 HydrophobicContact CE1-CG 3.83Å; Y586-L640 HydrophobicContact CD1-CD1 4.14Å; Y586-L640 HydrophobicContact CD2-CD1 3.72Å; Y586-L640 HydrophobicContact CE2-CD1 4.2Å; Y586-L640 HydrophobicContact CG-CD1 3.69Å
587L90.6Very high90.1Very high24 Ų2440.7 Ų40.713%0.12621%0.212CC..Hα-helixtrans-58.4-42174.4179.463.2000112V542 L583 F584 G585 L590 I591 F613V542-L587 HydrophobicContact CG1-CD2 4.04Å; L583-L587 PolarHBondContact O-N 3.09Å; F584-L587 WeakPolarHBondContact O-CB 3.27Å; F584-L587 PolarHBondContact O-N 2.99Å; G585-L587 PolarHBondContact O-N 2.98Å; L587-L590 PolarHBondContact O-N 2.54Å; L587-I591 WeakPolarHBondContact O-CG1 3.38Å; L587-I591 PolarHBondContact O-N 2.79Å; L587-I591 VanDerWaalsContact O-N 3.09Å; L587-F613 HydrophobicContact CB-CD2 4.33Å; L587-F613 HydrophobicContact CB-CE2 4.14Å; L587-F613 HydrophobicContact CD1-CB 4.46Å; L587-F613 HydrophobicContact CD1-CD2 4.05Å; L587-F613 HydrophobicContact CD1-CG 4.32Å; L587-F613 HydrophobicContact CD2-CE2 4.34Å; L587-F613 HydrophobicContact CD2-CZ 4.45Å
588V92.2Very high89.8Confident14 Ų1441.5 Ų41.59%0.08521%0.213CC..Hα-helixtrans-62.7-43.7175.6171.10000111.2I543 V546 F584 G585 Y586 L590 I591 F592I543-V588 HydrophobicContact CG1-CG1 4.21Å; I543-V588 HydrophobicContact CG1-CG2 4.43Å; I543-V588 HydrophobicContact CG2-CG1 4.28Å; V546-V588 HydrophobicContact CB-CG2 3.79Å; V546-V588 HydrophobicContact CG1-CG2 3.88Å; V546-V588 HydrophobicContact CG2-CG2 4.07Å; F584-V588 PolarHBondContact O-N 3.15Å; F584-V588 VanDerWaalsContact O-N 3.07Å; G585-V588 PolarHBondContact O-N 2.97Å; Y586-V588 VanDerWaalsContact C-N 3.3Å; Y586-V588 PolarHBondContact O-N 2.7Å; V588-L590 VanDerWaalsContact C-N 3.31Å; V588-L590 PolarHBondContact O-N 3.01Å; V588-I591 WeakPolarHBondContact O-CB 3.32Å; V588-I591 PolarHBondContact O-N 3.11Å; V588-I591 VanDerWaalsContact O-N 3.15Å; V588-F592 HydrophobicContact CG1-CD2 3.78Å; V588-F592 HydrophobicContact CG1-CE2 3.53Å; V588-F592 VanDerWaalsContact O-CD2 3.29Å; V588-F592 WeakPolarHBondContact O-CD2 3.42Å; V588-F592 PolarHBondContact O-N 3.49Å; V588-F592 VanDerWaalsContact O-N 3.13Å
589I91.8Very high89.2Confident109 Ų10944 Ų4456%0.55923%0.227SC*.Hα-helixtrans-60.3-41.6176.2-65.5165.8000110.9G585 Y586 I591 F592 F593G585-I589 WeakPolarHBondContact O-CG1 3.09Å; G585-I589 PolarHBondContact O-N 3.23Å; Y586-I589 PolarHBondContact O-N 3.39Å; I589-I591 VanDerWaalsContact C-N 3.31Å; I589-I591 PolarHBondContact O-N 3.2Å; I589-F592 PolarHBondContact O-N 3.28Å; I589-F593 VanDerWaalsContact O-CB 3.27Å; I589-F593 WeakPolarHBondContact O-CB 3.38Å; I589-F593 PolarHBondContact O-N 3.44Å
590L89.4Confident88.6Confident3 Ų344.8 Ų44.82%0.01624%0.237CC..Hα-helixtrans-63.9-34.5176.5-68.6175.2000112.9Y586 L587 V588 K594 L609 L629 Y630Y586-L590 HydrophobicContact CD1-CD1 3.94Å; Y586-L590 HydrophobicContact CD1-CG 4.35Å; Y586-L590 HydrophobicContact CE1-CD1 3.46Å; Y586-L590 VanDerWaalsContact CE1-CD1 3.46Å; Y586-L590 HydrophobicContact CE1-CD2 4.26Å; Y586-L590 HydrophobicContact CE1-CG 3.94Å; Y586-L590 HydrophobicContact CE2-CD2 4.07Å; Y586-L590 HydrophobicContact CE2-CG 4.14Å; Y586-L590 WeakPolarHBondContact O-CG 3.25Å; Y586-L590 PolarHBondContact O-N 2.74Å; L587-L590 PolarHBondContact O-N 2.54Å; V588-L590 VanDerWaalsContact C-N 3.31Å; V588-L590 PolarHBondContact O-N 3.01Å; L590-K594 VanDerWaalsContact O-CB 3.26Å; L590-K594 WeakPolarHBondContact O-CB 3.01Å; L590-K594 PolarHBondContact O-N 3.34Å; L590-L609 HydrophobicContact CB-CD2 3.97Å; L590-L629 HydrophobicContact CD2-CD2 4.02Å; L590-Y630 HydrophobicContact CD2-CE1 4.11Å
591I91.4Very high88Confident6 Ų651.5 Ų51.53%0.03127%0.268CS..Hα-helixtrans-64.1-50.6175.5-67.4164.6000110.2K539 I543 L587 V588 I589 K594 W595 L609K539-I591 HydrophobicContact CB-CD1 4.48Å; K539-I591 HydrophobicContact CB-CG2 4.07Å; K539-I591 HydrophobicContact CD-CG2 4.03Å; K539-I591 HydrophobicContact CG-CG2 4.22Å; I543-I591 HydrophobicContact CD1-CB 4.49Å; I543-I591 HydrophobicContact CD1-CG2 3.83Å; I543-I591 HydrophobicContact CG1-CD1 4.15Å; I543-I591 HydrophobicContact CG1-CG2 4.48Å; L587-I591 WeakPolarHBondContact O-CG1 3.38Å; L587-I591 PolarHBondContact O-N 2.79Å; L587-I591 VanDerWaalsContact O-N 3.09Å; V588-I591 WeakPolarHBondContact O-CB 3.32Å; V588-I591 PolarHBondContact O-N 3.11Å; V588-I591 VanDerWaalsContact O-N 3.15Å; I589-I591 VanDerWaalsContact C-N 3.31Å; I589-I591 PolarHBondContact O-N 3.2Å; I591-K594 PolarHBondContact O-N 2.89Å; I591-W595 HydrophobicContact CG2-CD2 4.06Å; I591-W595 HydrophobicContact CG2-CE3 4.06Å; I591-W595 HydrophobicContact CG2-CH2 4.01Å; I591-W595 HydrophobicContact CG2-CZ2 4.01Å; I591-W595 HydrophobicContact CG2-CZ3 4.03Å; I591-W595 PolarHBondContact O-N 3.42Å; I591-L609 HydrophobicContact CG1-CD1 3.82Å
592F92.3Very high87.5Confident98 Ų9852.1 Ų52.143%0.4327%0.27SS..Hα-helixtrans-63.1-43.3178.3-76-65.5000112I543 V588 I589 K594 W595 V596I543-F592 HydrophobicContact CD1-CE1 4.4Å; I543-F592 HydrophobicContact CD1-CE2 4.15Å; I543-F592 HydrophobicContact CD1-CZ 3.94Å; I543-F592 HydrophobicContact CG1-CE2 4.5Å; I543-F592 HydrophobicContact CG2-CE2 4.15Å; I543-F592 HydrophobicContact CG2-CZ 4.07Å; V588-F592 HydrophobicContact CG1-CD2 3.78Å; V588-F592 HydrophobicContact CG1-CE2 3.53Å; V588-F592 VanDerWaalsContact O-CD2 3.29Å; V588-F592 WeakPolarHBondContact O-CD2 3.42Å; V588-F592 PolarHBondContact O-N 3.49Å; V588-F592 VanDerWaalsContact O-N 3.13Å; I589-F592 PolarHBondContact O-N 3.28Å; F592-K594 VanDerWaalsContact C-N 3.34Å; F592-K594 PolarHBondContact O-N 3.21Å; F592-W595 AromaticContact CD1-CE3 3.83Å; F592-W595 HydrophobicContact CD1-CE3 3.83Å; F592-W595 HydrophobicContact CD1-CZ3 4.04Å; F592-W595 HydrophobicContact CE1-CE3 4.12Å; F592-W595 AromaticContact CE1-CZ3 3.86Å; F592-W595 HydrophobicContact CE1-CZ3 3.86Å; F592-W595 PolarHBondContact O-N 2.89Å; F592-W595 VanDerWaalsContact O-N 3.17Å; F592-V596 WeakPolarHBondContact O-CG2 3.43Å; F592-V596 PolarHBondContact O-N 3.35Å
593F90.1Very high86.8Confident69 Ų6955.5 Ų55.530%0.30329%0.294SS..Hα-helixtrans-59.4-46176.6-175.6-92.2000111.1I589 W595 V596 S597 L629I589-F593 VanDerWaalsContact O-CB 3.27Å; I589-F593 WeakPolarHBondContact O-CB 3.38Å; I589-F593 PolarHBondContact O-N 3.44Å; F593-W595 VanDerWaalsContact C-N 3.29Å; F593-W595 PolarHBondContact O-N 3.24Å; F593-V596 PolarHBondContact O-N 3.32Å; F593-V596 VanDerWaalsContact O-N 3.14Å; F593-S597 WeakPolarHBondContact CE1-OG 3.23Å; F593-S597 VanDerWaalsContact CZ-OG 3.31Å; F593-S597 WeakPolarHBondContact CZ-OG 3.4Å; F593-S597 WeakPolarHBondContact O-CB 3.5Å; F593-S597 PolarHBondContact O-N 3.46Å; F593-S597 PolarHBondContact O-OG 3.1Å; F593-L629 HydrophobicContact CD1-CB 4.27Å; F593-L629 HydrophobicContact CD1-CD2 4.12Å; F593-L629 HydrophobicContact CE1-CB 4.02Å; F593-L629 VanDerWaalsContact CE1-O 3.26Å; F593-L629 WeakPolarHBondContact CE1-O 3.39Å
594K88.4Confident86.1Confident43 Ų4366.8 Ų66.819%0.18734%0.336CS..Hα-helixtrans-62.2-35.2177-178.1170.8-178.7171.50112.7L590 I591 F592 V596 Y598 P607 L609L590-K594 VanDerWaalsContact O-CB 3.26Å; L590-K594 WeakPolarHBondContact O-CB 3.01Å; L590-K594 PolarHBondContact O-N 3.34Å; I591-K594 PolarHBondContact O-N 2.89Å; F592-K594 VanDerWaalsContact C-N 3.34Å; F592-K594 PolarHBondContact O-N 3.21Å; K594-V596 VanDerWaalsContact C-N 3.3Å; K594-V596 PolarHBondContact O-N 3.43Å; K594-Y598 HydrophobicContact CG-CD2 3.99Å; K594-Y598 HydrophobicContact CG-CE2 4.45Å; K594-P607 PolarHBondContact NZ-O 2.85Å; K594-L609 HydrophobicContact CB-CD2 4.25Å; K594-L609 HydrophobicContact CD-CD1 3.91Å; K594-L609 HydrophobicContact CD-CD2 3.91Å; K594-L609 HydrophobicContact CD-CG 3.71Å
595W88.6Confident85.3Confident105 Ų10571.1 Ų71.140%0.39836%0.356SS..Hα-helixtrans-68.5-26.2176.7-78.5-29.2000113.7F536 K539 I543 I591 F592 F593F536-W595 HydrophobicContact CD2-CZ2 4.32Å; K539-W595 HydrophobicContact CB-CH2 4.41Å; K539-W595 HydrophobicContact CB-CZ2 3.94Å; K539-W595 HydrophobicContact CD-CZ2 4Å; I543-W595 HydrophobicContact CD1-CH2 3.68Å; I543-W595 HydrophobicContact CD1-CZ3 3.66Å; I591-W595 HydrophobicContact CG2-CD2 4.06Å; I591-W595 HydrophobicContact CG2-CE3 4.06Å; I591-W595 HydrophobicContact CG2-CH2 4.01Å; I591-W595 HydrophobicContact CG2-CZ2 4.01Å; I591-W595 HydrophobicContact CG2-CZ3 4.03Å; I591-W595 PolarHBondContact O-N 3.42Å; F592-W595 AromaticContact CD1-CE3 3.83Å; F592-W595 HydrophobicContact CD1-CE3 3.83Å; F592-W595 HydrophobicContact CD1-CZ3 4.04Å; F592-W595 HydrophobicContact CE1-CE3 4.12Å; F592-W595 AromaticContact CE1-CZ3 3.86Å; F592-W595 HydrophobicContact CE1-CZ3 3.86Å; F592-W595 PolarHBondContact O-N 2.89Å; F592-W595 VanDerWaalsContact O-N 3.17Å; F593-W595 VanDerWaalsContact C-N 3.29Å; F593-W595 PolarHBondContact O-N 3.24Å
596V87.6Confident84.8Confident118 Ų11872.4 Ų72.472%0.71537%0.365SS*.Hα-helixtrans-95.7-32.7-177.9177.50000112.6F592 F593 K594F592-V596 WeakPolarHBondContact O-CG2 3.43Å; F592-V596 PolarHBondContact O-N 3.35Å; F593-V596 PolarHBondContact O-N 3.32Å; F593-V596 VanDerWaalsContact O-N 3.14Å; K594-V596 VanDerWaalsContact C-N 3.3Å; K594-V596 PolarHBondContact O-N 3.43Å
597S83.4Confident84.3Confident54 Ų5472.4 Ų72.438%0.37837%0.367SS..Hα-helixtrans-93.1-16.5-168.2-57.60000115.9F593F593-S597 WeakPolarHBondContact CE1-OG 3.23Å; F593-S597 VanDerWaalsContact CZ-OG 3.31Å; F593-S597 WeakPolarHBondContact CZ-OG 3.4Å; F593-S597 WeakPolarHBondContact O-CB 3.5Å; F593-S597 PolarHBondContact O-N 3.46Å; F593-S597 PolarHBondContact O-OG 3.1Å
598Y83.6Confident84Confident51 Ų5174.1 Ų74.120%0.238%0.381CS..  trans-114.2112.6-175.9-69.5-85.1000111.8K594 A606 P607 L629K594-Y598 HydrophobicContact CG-CD2 3.99Å; K594-Y598 HydrophobicContact CG-CE2 4.45Å; Y598-A606 HydrophobicContact CD1-CB 3.95Å; Y598-A606 HydrophobicContact CE1-CB 4.33Å; Y598-A606 HydrophobicContact CG-CB 4.29Å; Y598-P607 WeakPolarHBondContact OH-CD 3.49Å; Y598-P607 WeakPolarHBondContact OH-CG 3.33Å; Y598-L629 HydrophobicContact CE2-CG 4.46Å
599D79.5Confident83.7Confident117 Ų11774.3 Ų74.363%0.62638%0.381SS*.  trans-98.4173.2173.9-68.6-36.6000112.3H601 T602 S603D599-H601 PolarHBondContact O-N 3.37Å; D599-T602 PolarHBondContact N-OG1 2.99Å; D599-T602 VanDerWaalsContact N-OG1 3.14Å; D599-T602 CarbonylContact O-C 3.01Å; D599-T602 PolarHBondContact O-N 3.48Å; D599-T602 PolarHBondContact O-OG1 3.3Å; D599-S603 PolarHBondContact O-N 3.31Å; D599-S603 VanDerWaalsContact O-N 3.15Å
600A79Confident83.4Confident35 Ų3574.6 Ų74.629%0.28938%0.383SS..G310 helixtrans-51-40.1179.300000113.5P505 T602 S603P505-A600 HydrophobicContact CB-CB 3.87Å; P505-A600 HydrophobicContact CG-CB 3.83Å; A600-T602 VanDerWaalsContact C-N 3.32Å; A600-T602 PolarHBondContact O-N 2.72Å; A600-S603 VanDerWaalsContact O-CB 3.3Å; A600-S603 WeakPolarHBondContact O-CB 3.44Å; A600-S603 PolarHBondContact O-N 3.08Å; A600-S603 PolarHBondContact O-OG 3.17Å
601H78.4Confident83.2Confident141 Ų14178 Ų7865%0.65340%0.401SS*.G310 helixtrans-67-29.8180-61.1-74.3000113.7A506 D599A506-H601 PolarHBondContact O-CE1 3.37Å; D599-H601 PolarHBondContact O-N 3.37Å
602T79.7Confident82.8Confident62 Ų6278.1 Ų78.138%0.3840%0.402SS..G310 helixtrans-1015.9-178.939.40000113.3D599 A600 R604 E605D599-T602 PolarHBondContact N-OG1 2.99Å; D599-T602 VanDerWaalsContact N-OG1 3.14Å; D599-T602 CarbonylContact O-C 3.01Å; D599-T602 PolarHBondContact O-N 3.48Å; D599-T602 PolarHBondContact O-OG1 3.3Å; A600-T602 VanDerWaalsContact C-N 3.32Å; A600-T602 PolarHBondContact O-N 2.72Å; T602-R604 VanDerWaalsContact C-N 3.27Å; T602-R604 PolarHBondContact O-N 3.34Å; T602-E605 PolarHBondContact O-N 3.48Å; T602-E605 VanDerWaalsContact O-N 3.15Å
603S75.1Confident82.5Confident78 Ų7875.3 Ų75.355%0.54539%0.39SS..G310 helixtrans-59.4-32.5-17359.60000114.1D599 A600 E605 A606D599-S603 PolarHBondContact O-N 3.31Å; D599-S603 VanDerWaalsContact O-N 3.15Å; A600-S603 VanDerWaalsContact O-CB 3.3Å; A600-S603 WeakPolarHBondContact O-CB 3.44Å; A600-S603 PolarHBondContact O-N 3.08Å; A600-S603 PolarHBondContact O-OG 3.17Å; S603-E605 PolarHBondContact O-N 3.33Å; S603-A606 WeakPolarHBondContact O-CB 3.46Å; S603-A606 PolarHBondContact O-N 3.22Å
604R74.5Confident82.3Confident241 Ų24176.2 Ų76.291%0.90940%0.397SS*.G310 helixtrans-61.7-26.4179.4-172.5174.7178.81730.3113.3T602T602-R604 VanDerWaalsContact C-N 3.27Å; T602-R604 PolarHBondContact O-N 3.34Å
605E73.7Confident82.2Confident102 Ų10275.6 Ų75.648%0.47740%0.396SS..G310 helixtrans-105.68.7-175.3-54-168.515200112.8T602 S603 P607 K627T602-E605 PolarHBondContact O-N 3.48Å; T602-E605 VanDerWaalsContact O-N 3.15Å; S603-E605 PolarHBondContact O-N 3.33Å; E605-P607 VanDerWaalsContact O-CD 3.27Å; E605-P607 WeakPolarHBondContact O-CD 3.47Å; E605-K627 HydrophobicContact CB-CD 4.43Å; E605-K627 IonicContact OE1-NZ 3.94Å; E605-K627 PolarHBondContact OE1-NZ 2.95Å; E605-K627 IonicContact OE2-NZ 3.44Å; E605-K627 PolarHBondContact OE2-NZ 3.35Å
606A79.1Confident82Confident39 Ų3970.6 Ų70.632%0.32238%0.377SS..  trans-71.9114.8-175.200000111.7Y598 S603Y598-A606 HydrophobicContact CD1-CB 3.95Å; Y598-A606 HydrophobicContact CE1-CB 4.33Å; Y598-A606 HydrophobicContact CG-CB 4.29Å; S603-A606 WeakPolarHBondContact O-CB 3.46Å; S603-A606 PolarHBondContact O-N 3.22Å
607P81.3Confident81.9Confident12 Ų1269.2 Ų69.28%0.07836%0.361CS..  trans-73.3153.6-175.329.2-33.8000112.3K594 Y598 E605 L629K594-P607 PolarHBondContact NZ-O 2.85Å; Y598-P607 WeakPolarHBondContact OH-CD 3.49Å; Y598-P607 WeakPolarHBondContact OH-CG 3.33Å; E605-P607 VanDerWaalsContact O-CD 3.27Å; E605-P607 WeakPolarHBondContact O-CD 3.47Å; P607-L629 HydrophobicContact CB-CD1 4.05Å; P607-L629 HydrophobicContact CG-CD1 3.32Å; P607-L629 HydrophobicContact CG-CG 3.68Å
608S85.1Confident82Confident59 Ų5972.7 Ų72.741%0.41338%0.375SS..  trans-77.6125.4174.3-178.20000111.1L610 I611 A612S608-L610 VanDerWaalsContact C-N 3.3Å; S608-L610 PolarHBondContact O-N 2.92Å; S608-I611 PolarHBondContact O-N 2.95Å; S608-A612 PolarHBondContact O-N 3.25Å; S608-A612 VanDerWaalsContact O-N 3.1Å
609L85.3Confident81.9Confident18 Ų1875.2 Ų75.29%0.09439%0.387CS..Hα-helixtrans-64.1-36.3178.9-67.8174.5000112L590 I591 K594 A612 F613 L629L590-L609 HydrophobicContact CB-CD2 3.97Å; I591-L609 HydrophobicContact CG1-CD1 3.82Å; K594-L609 HydrophobicContact CB-CD2 4.25Å; K594-L609 HydrophobicContact CD-CD1 3.91Å; K594-L609 HydrophobicContact CD-CD2 3.91Å; K594-L609 HydrophobicContact CD-CG 3.71Å; L609-A612 PolarHBondContact O-N 3.5Å; L609-F613 WeakPolarHBondContact O-CB 3.28Å; L609-F613 PolarHBondContact O-N 3.41Å; L609-L629 HydrophobicContact CD2-CD2 4.17Å
610L85.5Confident81.8Confident115 Ų11572.3 Ų72.360%0.60238%0.376SS*.Hα-helixtrans-66.3-45.5-178.6-171.7156.2000110.8S608 F613 I614S608-L610 VanDerWaalsContact C-N 3.3Å; S608-L610 PolarHBondContact O-N 2.92Å; L610-F613 PolarHBondContact O-N 3.27Å; L610-I614 HydrophobicContact CD2-CD1 3.42Å; L610-I614 VanDerWaalsContact CD2-CD1 3.42Å; L610-I614 HydrophobicContact CD2-CG1 4.13Å; L610-I614 WeakPolarHBondContact O-CG1 3.48Å; L610-I614 PolarHBondContact O-N 2.66Å
611I85.5Confident81.6Confident76 Ų7673.3 Ų73.339%0.3937%0.373SS..Hα-helixtrans-65.8-42.4177.4-61172.6000110.2S608 F613 I614 N615 I626S608-I611 PolarHBondContact O-N 2.95Å; I611-F613 PolarHBondContact O-N 3.04Å; I611-I614 PolarHBondContact O-N 3.17Å; I611-N615 WeakPolarHBondContact O-CB 3.46Å; I611-N615 VanDerWaalsContact O-CG 3.28Å; I611-N615 PolarHBondContact O-N 3.36Å; I611-I626 HydrophobicContact CG2-CD1 3.83Å
612A82.6Confident80.7Confident7 Ų774.1 Ų74.16%0.05838%0.382CS..Hα-helixtrans-60.7-32175.700000113S608 L609 M616 Q637S608-A612 PolarHBondContact O-N 3.25Å; S608-A612 VanDerWaalsContact O-N 3.1Å; L609-A612 PolarHBondContact O-N 3.5Å; A612-M616 PolarHBondContact O-N 3.13Å; A612-Q637 PolarHBondContact O-NE2 3.43Å
613F86.2Confident80Confident40 Ų4075.3 Ų75.318%0.17539%0.386CS..Hα-helixtrans-77.9-38.9175.7-170.5-108.8000112.6F584 L587 L609 L610 I611 M616 F617F584-F613 HydrophobicContact CD1-CZ 4.34Å; F584-F613 HydrophobicContact CE1-CZ 4.07Å; L587-F613 HydrophobicContact CB-CD2 4.33Å; L587-F613 HydrophobicContact CB-CE2 4.14Å; L587-F613 HydrophobicContact CD1-CB 4.46Å; L587-F613 HydrophobicContact CD1-CD2 4.05Å; L587-F613 HydrophobicContact CD1-CG 4.32Å; L587-F613 HydrophobicContact CD2-CE2 4.34Å; L587-F613 HydrophobicContact CD2-CZ 4.45Å; L609-F613 WeakPolarHBondContact O-CB 3.28Å; L609-F613 PolarHBondContact O-N 3.41Å; L610-F613 PolarHBondContact O-N 3.27Å; I611-F613 PolarHBondContact O-N 3.04Å; F613-M616 HydrophobicContact CD2-CE 3.65Å; F613-M616 HydrophobicContact CE2-CE 3.52Å; F613-M616 HydrophobicContact CZ-CE 4.37Å; F613-M616 WeakPolarHBondContact O-CB 3.14Å; F613-M616 PolarHBondContact O-N 3.11Å; F613-F617 HydrophobicContact CD1-CE2 4.18Å; F613-F617 HydrophobicContact CE1-CD2 4.48Å; F613-F617 AromaticContact CE1-CE2 3.66Å; F613-F617 HydrophobicContact CE1-CE2 3.66Å; F613-F617 HydrophobicContact CE2-CE2 4.02Å; F613-F617 AromaticContact CZ-CE2 3.58Å; F613-F617 HydrophobicContact CZ-CE2 3.58Å; F613-F617 HydrophobicContact CZ-CZ 4.16Å; F613-F617 WeakPolarHBondContact O-CD2 3.36Å
614I87.1Confident79.4Confident88 Ų8877.4 Ų77.445%0.45140%0.398SS..Hα-helixtrans-64.3-47.5173.5-68.7178.1000110.6L610 I611 M616 F617 L618L610-I614 HydrophobicContact CD2-CD1 3.42Å; L610-I614 VanDerWaalsContact CD2-CD1 3.42Å; L610-I614 HydrophobicContact CD2-CG1 4.13Å; L610-I614 WeakPolarHBondContact O-CG1 3.48Å; L610-I614 PolarHBondContact O-N 2.66Å; I611-I614 PolarHBondContact O-N 3.17Å; I614-M616 PolarHBondContact O-N 3.09Å; I614-F617 PolarHBondContact O-N 3.37Å; I614-L618 PolarHBondContact O-N 3.26Å
615N85.3Confident78.8Confident29 Ų2971.5 Ų71.516%0.15539%0.388CS..Hα-helixtrans-63.2-26.9-179.3-72.4-1.3000112.4I611 F617 F619 S620I611-N615 WeakPolarHBondContact O-CB 3.46Å; I611-N615 VanDerWaalsContact O-CG 3.28Å; I611-N615 PolarHBondContact O-N 3.36Å; N615-F617 VanDerWaalsContact C-N 3.34Å; N615-F619 PolarHBondContact O-N 3.14Å; N615-S620 WeakPolarHBondContact CB-O 3.2Å; N615-S620 PolarHBondContact O-N 2.82Å
616M85.5Confident78.5Confident0 Ų069.6 Ų69.60%038%0.381CS..Hα-helixtrans-60.6-41.1172.1-178.5-178.378.300112.1L583 Y586 A612 F613 I614 Q637 V641L583-M616 HydrophobicContact CD2-CE 3.97Å; Y586-M616 HydrophobicContact CD1-SD 3.86Å; Y586-M616 HydrophobicContact CE1-SD 3.99Å; A612-M616 PolarHBondContact O-N 3.13Å; F613-M616 HydrophobicContact CD2-CE 3.65Å; F613-M616 HydrophobicContact CE2-CE 3.52Å; F613-M616 HydrophobicContact CZ-CE 4.37Å; F613-M616 WeakPolarHBondContact O-CB 3.14Å; F613-M616 PolarHBondContact O-N 3.11Å; I614-M616 PolarHBondContact O-N 3.09Å; M616-Q637 HydrophobicContact CG-CB 4.09Å; M616-Q637 HydrophobicContact CG-CG 4.19Å; M616-Q637 HydrophobicContact SD-CG 4.36Å; M616-V641 HydrophobicContact CG-CG2 3.55Å; M616-V641 HydrophobicContact SD-CG2 4.32Å
617F85.1Confident78Confident90 Ų9072.7 Ų72.740%0.39539%0.387SS..Hα-helixtrans-81.4-32.6177.8-71.7-77.1000113.5L583 F613 I614 N615 F619L583-F617 HydrophobicContact CD1-CE1 4.1Å; L583-F617 HydrophobicContact CD1-CZ 4.01Å; L583-F617 HydrophobicContact CD2-CE1 3.74Å; L583-F617 HydrophobicContact CD2-CZ 3.68Å; L583-F617 HydrophobicContact CG-CZ 4.3Å; F613-F617 HydrophobicContact CD1-CE2 4.18Å; F613-F617 HydrophobicContact CE1-CD2 4.48Å; F613-F617 AromaticContact CE1-CE2 3.66Å; F613-F617 HydrophobicContact CE1-CE2 3.66Å; F613-F617 HydrophobicContact CE2-CE2 4.02Å; F613-F617 AromaticContact CZ-CE2 3.58Å; F613-F617 HydrophobicContact CZ-CE2 3.58Å; F613-F617 HydrophobicContact CZ-CZ 4.16Å; F613-F617 WeakPolarHBondContact O-CD2 3.36Å; I614-F617 PolarHBondContact O-N 3.37Å; N615-F617 VanDerWaalsContact C-N 3.34Å; F617-F619 VanDerWaalsContact C-N 3.32Å
618L85.2Confident77.5Confident126 Ų12676.4 Ų76.466%0.6641%0.411SS*.Hα-helixtrans-83.7-6.9-177.4-158.171.8000113.4I614 S620I614-L618 PolarHBondContact O-N 3.26Å; L618-S620 PolarHBondContact O-N 3.07Å; L618-S620 VanDerWaalsContact O-N 3.15Å
619F81.3Confident77Confident105 Ų10574.3 Ų74.346%0.46140%0.395SS..THydrogen-bonded Turntrans5231.6-173.7-59.6-71.4000114N615 F617 Y621 I638 V641N615-F619 PolarHBondContact O-N 3.14Å; F617-F619 VanDerWaalsContact C-N 3.32Å; F619-Y621 HydrophobicContact CD1-CE2 4.43Å; F619-I638 HydrophobicContact CD1-CG1 4.26Å; F619-I638 HydrophobicContact CE1-CG1 4.43Å; F619-V641 HydrophobicContact CE1-CB 4.16Å; F619-V641 HydrophobicContact CE1-CG1 4.02Å; F619-V641 HydrophobicContact CE2-CG1 4.3Å; F619-V641 HydrophobicContact CZ-CB 4.09Å; F619-V641 HydrophobicContact CZ-CG1 3.46Å; F619-V641 VanDerWaalsContact CZ-CG1 3.46Å
620S78.5Confident76.9Confident55 Ų5576 Ų7639%0.38540%0.401SS..  trans-102.799.7179.5-172.30000110.4N615 L618N615-S620 WeakPolarHBondContact CB-O 3.2Å; N615-S620 PolarHBondContact O-N 2.82Å; L618-S620 PolarHBondContact O-N 3.07Å; L618-S620 VanDerWaalsContact O-N 3.15Å
621Y72.9Confident76.6Confident57 Ų5782.6 Ų82.622%0.22442%0.418CS..  trans-113.25-177.3-60.9-67.6000114F619 D623 M634 Q637 I638F619-Y621 HydrophobicContact CD1-CE2 4.43Å; Y621-D623 VanDerWaalsContact C-N 3.3Å; Y621-D623 PolarHBondContact O-N 3.25Å; Y621-M634 HydrophobicContact CD1-CG 4.37Å; Y621-M634 HydrophobicContact CD2-CG 3.87Å; Y621-M634 HydrophobicContact CD2-SD 4.37Å; Y621-M634 HydrophobicContact CE2-CG 4.18Å; Y621-M634 HydrophobicContact CG-CG 3.96Å; Y621-M634 HydrophobicContact CG-SD 4.38Å; Y621-Q637 WeakPolarHBondContact OH-CB 3.21Å; Y621-I638 HydrophobicContact CE2-CD1 4.02Å; Y621-I638 HydrophobicContact CE2-CG1 3.83Å
622N61.3Low76.4Confident157 Ų15781.5 Ų81.584%0.8443%0.425SS*.  trans-87.913.3-165.4-68.9-13.9000114.6P624N622-P624 VanDerWaalsContact O-CD 3.3Å; N622-P624 WeakPolarHBondContact O-CD 3.37Å
623D65.1Low76.4Confident88 Ų8882 Ų8247%0.47143%0.426SS..  trans-95.3107.8-175-143.8-29.9000111.2Y621 T625 I626Y621-D623 VanDerWaalsContact C-N 3.3Å; Y621-D623 PolarHBondContact O-N 3.25Å; D623-T625 PolarHBondContact O-N 3.49Å; D623-T625 VanDerWaalsContact O-N 3.11Å; D623-T625 PolarHBondContact OD1-OG1 3.47Å; D623-I626 HydrophobicContact CB-CD1 4.18Å; D623-I626 HydrophobicContact CB-CG1 4.39Å; D623-I626 PolarHBondContact O-N 3.46Å
624P61.8Low76.3Confident122 Ų12285.4 Ų85.479%0.79244%0.444SS*.THydrogen-bonded Turntrans-68.9-9.1-175.227.6-34.5000113.7N622 I626N622-P624 VanDerWaalsContact O-CD 3.3Å; N622-P624 WeakPolarHBondContact O-CD 3.37Å; P624-I626 VanDerWaalsContact C-N 3.35Å
625T62.1Low76.2Confident116 Ų11683.5 Ų83.571%0.71245%0.446SS*.THydrogen-bonded Turntrans-79.2-17.1176.658.50000113.1D623D623-T625 PolarHBondContact O-N 3.49Å; D623-T625 VanDerWaalsContact O-N 3.11Å; D623-T625 PolarHBondContact OD1-OG1 3.47Å
626I66Low76.4Confident63 Ų6385.6 Ų85.632%0.32346%0.456SS..SBendtrans-106.9100.5-175.4-55176.1000109.3I611 D623 P624I611-I626 HydrophobicContact CG2-CD1 3.83Å; D623-I626 HydrophobicContact CB-CD1 4.18Å; D623-I626 HydrophobicContact CB-CG1 4.39Å; D623-I626 PolarHBondContact O-N 3.46Å; P624-I626 VanDerWaalsContact C-N 3.35Å
627K69.1Low76.5Confident103 Ų10385.7 Ų85.745%0.44846%0.457SS..  trans-68.5140.4174.7-71-173-177.5-172.90111.2E605E605-K627 HydrophobicContact CB-CD 4.43Å; E605-K627 IonicContact OE1-NZ 3.94Å; E605-K627 PolarHBondContact OE1-NZ 2.95Å; E605-K627 IonicContact OE2-NZ 3.44Å; E605-K627 PolarHBondContact OE2-NZ 3.35Å
628P70.9Confident76.6Confident90 Ų9084 Ų8458%0.58445%0.452SS*.  trans-66.5141.3173.828.4-33.5000110.5Q633P628-Q633 HydrophobicContact CB-CB 4.35Å
629L75.9Confident76.9Confident15 Ų1583.9 Ų83.98%0.07945%0.446CS..SBendtrans-64.8-39.5177.3-8483000111.7L590 F593 Y598 P607 L609L590-L629 HydrophobicContact CD2-CD2 4.02Å; F593-L629 HydrophobicContact CD1-CB 4.27Å; F593-L629 HydrophobicContact CD1-CD2 4.12Å; F593-L629 HydrophobicContact CE1-CB 4.02Å; F593-L629 VanDerWaalsContact CE1-O 3.26Å; F593-L629 WeakPolarHBondContact CE1-O 3.39Å; Y598-L629 HydrophobicContact CE2-CG 4.46Å; P607-L629 HydrophobicContact CB-CD1 4.05Å; P607-L629 HydrophobicContact CG-CD1 3.32Å; P607-L629 HydrophobicContact CG-CG 3.68Å; L609-L629 HydrophobicContact CD2-CD2 4.17Å
630Y81.7Confident77.3Confident55 Ų5580.2 Ų80.222%0.21643%0.431CS..SBendtrans-145.2160.9179.963-88.3000111.3Y586 L590 G632 Q633 L636Y586-Y630 WeakPolarHBondContact OH-CE1 3.31Å; Y586-Y630 PolarHBondContact OH-OH 2.96Å; L590-Y630 HydrophobicContact CD2-CE1 4.11Å; Y630-G632 PolarHBondContact O-N 3.38Å; Y630-Q633 HydrophobicContact CD1-CB 4.35Å; Y630-Q633 HydrophobicContact CD2-CB 4.36Å; Y630-Q633 HydrophobicContact CE1-CB 3.99Å; Y630-Q633 HydrophobicContact CE1-CG 3.93Å; Y630-Q633 HydrophobicContact CE2-CB 4Å; Y630-Q633 HydrophobicContact CG-CB 4.5Å; Y630-Q633 WeakPolarHBondContact O-CB 3.38Å; Y630-Q633 PolarHBondContact O-N 3.11Å; Y630-L636 HydrophobicContact CE2-CD2 4.27Å; Y630-L636 WeakPolarHBondContact OH-CD2 3.32Å
631R80.6Confident77.8Confident253 Ų25378 Ų7896%0.95542%0.415SS*.THydrogen-bonded Turntrans-65.9122.9-178.3-159.7177.5-173.5-1801.7110
632G81.1Confident78.7Confident53 Ų5380 Ų8055%0.54643%0.429SS..THydrogen-bonded Turntrans89.311-179.300000115.7Y630 M634 G635 L636Y630-G632 PolarHBondContact O-N 3.38Å; G632-M634 VanDerWaalsContact C-N 3.3Å; G632-M634 PolarHBondContact O-N 3.34Å; G632-G635 PolarHBondContact O-N 3.33Å; G632-L636 PolarHBondContact O-N 2.88Å
633Q82.9Confident80.1Confident16 Ų1674.8 Ų74.88%0.07540%0.4CS..Hα-helixtrans-52.3-43-179.7179.7-179-11.200114.1P628 Y630 G635 L636 Q637P628-Q633 HydrophobicContact CB-CB 4.35Å; Y630-Q633 HydrophobicContact CD1-CB 4.35Å; Y630-Q633 HydrophobicContact CD2-CB 4.36Å; Y630-Q633 HydrophobicContact CE1-CB 3.99Å; Y630-Q633 HydrophobicContact CE1-CG 3.93Å; Y630-Q633 HydrophobicContact CE2-CB 4Å; Y630-Q633 HydrophobicContact CG-CB 4.5Å; Y630-Q633 WeakPolarHBondContact O-CB 3.38Å; Y630-Q633 PolarHBondContact O-N 3.11Å; Q633-G635 PolarHBondContact O-N 3.29Å; Q633-L636 PolarHBondContact O-N 3.48Å; Q633-Q637 HydrophobicContact CG-CG 4.2Å; Q633-Q637 WeakPolarHBondContact O-CB 3.42Å; Q633-Q637 WeakPolarHBondContact O-CG 3.3Å; Q633-Q637 PolarHBondContact O-N 2.97Å
634M82.4Confident81.2Confident113 Ų11370.8 Ų70.856%0.55738%0.379SS*.Hα-helixtrans-59.9-45.2-179.1-173.3-176.68200111.8Y621 G632 I638Y621-M634 HydrophobicContact CD1-CG 4.37Å; Y621-M634 HydrophobicContact CD2-CG 3.87Å; Y621-M634 HydrophobicContact CD2-SD 4.37Å; Y621-M634 HydrophobicContact CE2-CG 4.18Å; Y621-M634 HydrophobicContact CG-CG 3.96Å; Y621-M634 HydrophobicContact CG-SD 4.38Å; G632-M634 VanDerWaalsContact C-N 3.3Å; G632-M634 PolarHBondContact O-N 3.34Å; M634-I638 HydrophobicContact CG-CD1 3.94Å; M634-I638 VanDerWaalsContact O-CG1 3.31Å; M634-I638 WeakPolarHBondContact O-CG1 3.39Å; M634-I638 PolarHBondContact O-N 2.91Å; M634-I638 VanDerWaalsContact O-N 3.13Å
635G86.4Confident82.5Confident47 Ų4770.9 Ų70.949%0.48537%0.373SS..Hα-helixtrans-64.7-43179.500000112.3G632 Q633 F639G632-G635 PolarHBondContact O-N 3.33Å; Q633-G635 PolarHBondContact O-N 3.29Å; G635-F639 WeakPolarHBondContact O-CB 3.23Å; G635-F639 PolarHBondContact O-N 3.12Å; G635-F639 VanDerWaalsContact O-N 3.08Å
636L88.1Confident83.8Confident73 Ų7368.1 Ų68.138%0.38236%0.362SS..Hα-helixtrans-67.1-43.1179.2-169.570.5000112Y586 Y630 G632 Q633 F639 L640Y586-L636 HydrophobicContact CE2-CD2 3.95Å; Y630-L636 HydrophobicContact CE2-CD2 4.27Å; Y630-L636 WeakPolarHBondContact OH-CD2 3.32Å; G632-L636 PolarHBondContact O-N 2.88Å; Q633-L636 PolarHBondContact O-N 3.48Å; L636-F639 PolarHBondContact O-N 3.45Å; L636-L640 HydrophobicContact CD2-CD1 4.39Å; L636-L640 HydrophobicContact CG-CD1 4.02Å; L636-L640 HydrophobicContact CG-CG 4.36Å; L636-L640 VanDerWaalsContact O-CG 3.3Å; L636-L640 WeakPolarHBondContact O-CG 3.31Å; L636-L640 PolarHBondContact O-N 3.19Å
637Q87.7Confident84.8Confident3 Ų365.8 Ų65.81%0.01435%0.351CS..Hα-helixtrans-63.2-45.2179.7-77.5-177.6-35.100112.1Y586 A612 M616 Y621 Q633 F639 L640 V641Y586-Q637 HydrophobicContact CE1-CG 3.83Å; A612-Q637 PolarHBondContact O-NE2 3.43Å; M616-Q637 HydrophobicContact CG-CB 4.09Å; M616-Q637 HydrophobicContact CG-CG 4.19Å; M616-Q637 HydrophobicContact SD-CG 4.36Å; Y621-Q637 WeakPolarHBondContact OH-CB 3.21Å; Q633-Q637 HydrophobicContact CG-CG 4.2Å; Q633-Q637 WeakPolarHBondContact O-CB 3.42Å; Q633-Q637 WeakPolarHBondContact O-CG 3.3Å; Q633-Q637 PolarHBondContact O-N 2.97Å; Q637-F639 VanDerWaalsContact C-N 3.32Å; Q637-F639 PolarHBondContact O-N 3.49Å; Q637-L640 PolarHBondContact O-N 2.97Å; Q637-V641 WeakPolarHBondContact O-CG2 3.32Å; Q637-V641 PolarHBondContact O-N 3.34Å
638I87.7Confident85.6Confident54 Ų5463.2 Ų63.228%0.27734%0.344SS..Hα-helixtrans-60.3-45.4175.9-68.4169000110.4F619 Y621 M634 L640 V641 I642F619-I638 HydrophobicContact CD1-CG1 4.26Å; F619-I638 HydrophobicContact CE1-CG1 4.43Å; Y621-I638 HydrophobicContact CE2-CD1 4.02Å; Y621-I638 HydrophobicContact CE2-CG1 3.83Å; M634-I638 HydrophobicContact CG-CD1 3.94Å; M634-I638 VanDerWaalsContact O-CG1 3.31Å; M634-I638 WeakPolarHBondContact O-CG1 3.39Å; M634-I638 PolarHBondContact O-N 2.91Å; M634-I638 VanDerWaalsContact O-N 3.13Å; I638-L640 PolarHBondContact O-N 3.03Å; I638-V641 PolarHBondContact O-N 3.07Å; I638-I642 HydrophobicContact CG2-CD1 3.65Å; I638-I642 HydrophobicContact CG2-CG1 4.38Å; I638-I642 VanDerWaalsContact O-CG1 3.27Å; I638-I642 WeakPolarHBondContact O-CG1 3.46Å; I638-I642 PolarHBondContact O-N 3.16Å
639F91Very high86.3Confident123 Ų12362.4 Ų62.454%0.53934%0.338SS..Hα-helixtrans-59.5-47178.2177.2-107.1000112.7G635 L636 Q637 V641 I642 I643G635-F639 WeakPolarHBondContact O-CB 3.23Å; G635-F639 PolarHBondContact O-N 3.12Å; G635-F639 VanDerWaalsContact O-N 3.08Å; L636-F639 PolarHBondContact O-N 3.45Å; Q637-F639 VanDerWaalsContact C-N 3.32Å; Q637-F639 PolarHBondContact O-N 3.49Å; F639-V641 PolarHBondContact O-N 3.14Å; F639-I642 PolarHBondContact O-N 3.23Å; F639-I643 HydrophobicContact CD1-CD1 3.84Å; F639-I643 HydrophobicContact CD2-CD1 4.19Å; F639-I643 HydrophobicContact CE1-CD1 3.32Å; F639-I643 HydrophobicContact CE2-CD1 3.71Å; F639-I643 HydrophobicContact CE2-CG1 4.37Å; F639-I643 HydrophobicContact CG-CD1 4.27Å; F639-I643 HydrophobicContact CZ-CD1 3.27Å; F639-I643 HydrophobicContact CZ-CG1 4.37Å; F639-I643 WeakPolarHBondContact O-CB 3.41Å; F639-I643 WeakPolarHBondContact O-CG1 3.47Å; F639-I643 PolarHBondContact O-N 3.07Å
640L89.8Confident86.7Confident28 Ų2863.8 Ų63.815%0.14735%0.349CS..Hα-helixtrans-63.8-38.8179.5-71.2172.7000112.6Y586 L636 Q637 I638 A644Y586-L640 HydrophobicContact CD1-CD1 4.14Å; Y586-L640 HydrophobicContact CD2-CD1 3.72Å; Y586-L640 HydrophobicContact CE2-CD1 4.2Å; Y586-L640 HydrophobicContact CG-CD1 3.69Å; L636-L640 HydrophobicContact CD2-CD1 4.39Å; L636-L640 HydrophobicContact CG-CD1 4.02Å; L636-L640 HydrophobicContact CG-CG 4.36Å; L636-L640 VanDerWaalsContact O-CG 3.3Å; L636-L640 WeakPolarHBondContact O-CG 3.31Å; L636-L640 PolarHBondContact O-N 3.19Å; Q637-L640 PolarHBondContact O-N 2.97Å; I638-L640 PolarHBondContact O-N 3.03Å; L640-A644 WeakPolarHBondContact O-CB 3.43Å; L640-A644 PolarHBondContact O-N 3.47Å
641V89.7Confident86.6Confident10 Ų1061.2 Ų61.26%0.06134%0.339CS..Hα-helixtrans-71.6-40.6178.5177.40000111.5M616 F619 Q637 I638 F639 I643 A644 L645M616-V641 HydrophobicContact CG-CG2 3.55Å; M616-V641 HydrophobicContact SD-CG2 4.32Å; F619-V641 HydrophobicContact CE1-CB 4.16Å; F619-V641 HydrophobicContact CE1-CG1 4.02Å; F619-V641 HydrophobicContact CE2-CG1 4.3Å; F619-V641 HydrophobicContact CZ-CB 4.09Å; F619-V641 HydrophobicContact CZ-CG1 3.46Å; F619-V641 VanDerWaalsContact CZ-CG1 3.46Å; Q637-V641 WeakPolarHBondContact O-CG2 3.32Å; Q637-V641 PolarHBondContact O-N 3.34Å; I638-V641 PolarHBondContact O-N 3.07Å; F639-V641 PolarHBondContact O-N 3.14Å; V641-I643 VanDerWaalsContact C-N 3.28Å; V641-I643 PolarHBondContact O-N 3.01Å; V641-A644 PolarHBondContact O-N 3.06Å; V641-L645 WeakPolarHBondContact O-CB 3.34Å; V641-L645 PolarHBondContact O-N 3.38Å
642I90.7Very high86.7Confident99 Ų9952.1 Ų52.151%0.50831%0.309SS..Hα-helixtrans-59.6-43.8174.9-71169.1000110.4I638 F639 L645 A646I638-I642 HydrophobicContact CG2-CD1 3.65Å; I638-I642 HydrophobicContact CG2-CG1 4.38Å; I638-I642 VanDerWaalsContact O-CG1 3.27Å; I638-I642 WeakPolarHBondContact O-CG1 3.46Å; I638-I642 PolarHBondContact O-N 3.16Å; F639-I642 PolarHBondContact O-N 3.23Å; I642-L645 PolarHBondContact O-N 3.37Å; I642-A646 WeakPolarHBondContact O-CB 3.24Å; I642-A646 PolarHBondContact O-N 3.49Å
643I90.9Very high86.5Confident46 Ų4652.5 Ų52.524%0.23630%0.3CS..Hα-helixtrans-60.8-48.4176-79-178.4000111L578 F639 V641 L645 A646 C647L578-I643 HydrophobicContact CD1-CG2 4.33Å; L578-I643 HydrophobicContact CD2-CG2 3.02Å; L578-I643 HydrophobicContact CG-CG2 4.1Å; F639-I643 HydrophobicContact CD1-CD1 3.84Å; F639-I643 HydrophobicContact CD2-CD1 4.19Å; F639-I643 HydrophobicContact CE1-CD1 3.32Å; F639-I643 HydrophobicContact CE2-CD1 3.71Å; F639-I643 HydrophobicContact CE2-CG1 4.37Å; F639-I643 HydrophobicContact CG-CD1 4.27Å; F639-I643 HydrophobicContact CZ-CD1 3.27Å; F639-I643 HydrophobicContact CZ-CG1 4.37Å; F639-I643 WeakPolarHBondContact O-CB 3.41Å; F639-I643 WeakPolarHBondContact O-CG1 3.47Å; F639-I643 PolarHBondContact O-N 3.07Å; V641-I643 VanDerWaalsContact C-N 3.28Å; V641-I643 PolarHBondContact O-N 3.01Å; I643-L645 VanDerWaalsContact C-N 3.28Å; I643-L645 PolarHBondContact O-N 2.93Å; I643-A646 PolarHBondContact O-N 3.42Å; I643-C647 PolarHBondContact O-N 3.41Å; I643-C647 VanDerWaalsContact O-N 3.1Å; I643-C647 PolarHBondContact O-SG 3.06Å; I643-C647 VanDerWaalsContact O-SG 3.34Å
644A88.4Confident86.1Confident4 Ų454.5 Ų54.53%0.03331%0.313CS..Hα-helixtrans-59.3-40.6178.100000111.8F579 L583 L640 V641 C647F579-A644 HydrophobicContact CD2-CB 4.01Å; F579-A644 HydrophobicContact CE2-CB 4.31Å; L583-A644 HydrophobicContact CD1-CB 4.4Å; L583-A644 HydrophobicContact CD2-CB 4.05Å; L583-A644 HydrophobicContact CG-CB 4.15Å; L640-A644 WeakPolarHBondContact O-CB 3.43Å; L640-A644 PolarHBondContact O-N 3.47Å; V641-A644 PolarHBondContact O-N 3.06Å; A644-C647 PolarHBondContact O-N 2.87Å
645L89.1Confident85.8Confident124 Ų12450.6 Ų50.665%0.64929%0.293SS*.Hα-helixtrans-70.5-34.8179-164.2134.1000112.1V641 I642 I643 C647 V648 P649V641-L645 WeakPolarHBondContact O-CB 3.34Å; V641-L645 PolarHBondContact O-N 3.38Å; I642-L645 PolarHBondContact O-N 3.37Å; I643-L645 VanDerWaalsContact C-N 3.28Å; I643-L645 PolarHBondContact O-N 2.93Å; L645-C647 VanDerWaalsContact C-N 3.32Å; L645-C647 PolarHBondContact O-N 3.28Å; L645-V648 PolarHBondContact O-N 3.32Å; L645-P649 WeakPolarHBondContact O-CD 3.48Å
646A88.9Confident85.4Confident58 Ų5848.9 Ų48.948%0.47927%0.273SS..Hα-helixtrans-68.4-28.7174.900000113.1I642 I643 V648 P649 C650I642-A646 WeakPolarHBondContact O-CB 3.24Å; I642-A646 PolarHBondContact O-N 3.49Å; I643-A646 PolarHBondContact O-N 3.42Å; A646-V648 VanDerWaalsContact C-N 3.31Å; A646-V648 PolarHBondContact O-N 3.03Å; A646-P649 WeakPolarHBondContact O-CD 3.2Å; A646-C650 PolarHBondContact O-N 3.11Å
647C87.1Confident84.9Confident14 Ų1449.4 Ų49.410%0.09528%0.276CS..Hα-helixtrans-66.6-29.4177.2-72.60000113.6P575 L578 F579 I643 A644 L645 C650 M651P575-C647 HydrophobicContact CB-CB 4.3Å; L578-C647 WeakPolarHBondContact CD2-SG 3.25Å; F579-C647 HydrophobicContact CB-CB 4.45Å; I643-C647 PolarHBondContact O-N 3.41Å; I643-C647 VanDerWaalsContact O-N 3.1Å; I643-C647 PolarHBondContact O-SG 3.06Å; I643-C647 VanDerWaalsContact O-SG 3.34Å; A644-C647 PolarHBondContact O-N 2.87Å; L645-C647 VanDerWaalsContact C-N 3.32Å; L645-C647 PolarHBondContact O-N 3.28Å; C647-C650 WeakPolarHBondContact O-CB 3.27Å; C647-C650 PolarHBondContact O-N 3.5Å; C647-M651 PolarHBondContact O-N 3.14Å
648V86.5Confident84.5Confident50 Ų5051.6 Ų51.630%0.30329%0.29SS..Hα-helixtrans-67.5-52.2-176.9178.90000112F579 L645 A646 C650 M651 L652 T725F579-V648 HydrophobicContact CE2-CG2 4.33Å; L645-V648 PolarHBondContact O-N 3.32Å; A646-V648 VanDerWaalsContact C-N 3.31Å; A646-V648 PolarHBondContact O-N 3.03Å; V648-C650 VanDerWaalsContact C-N 3.25Å; V648-C650 PolarHBondContact O-N 2.71Å; V648-M651 PolarHBondContact O-N 3.47Å; V648-L652 PolarHBondContact O-N 3.21Å; V648-T725 HydrophobicContact CG1-CG2 4.4Å
649P85.8Confident84Confident72 Ų7251 Ų5147%0.46829%0.287SS..Hα-helixtrans-61.5-33172.2-23.834.1000113.3L645 A646 L652 V653L645-P649 WeakPolarHBondContact O-CD 3.48Å; A646-P649 WeakPolarHBondContact O-CD 3.2Å; P649-L652 PolarHBondContact O-N 3.25Å; P649-V653 WeakPolarHBondContact O-CB 3.46Å; P649-V653 PolarHBondContact O-N 3Å
650C84.2Confident83.4Confident44 Ų4450.7 Ų50.730%0.29728%0.282SS..Iπ-helixtrans-59.6-47.4177.3-169.70000111.3A646 C647 V648 V654A646-C650 PolarHBondContact O-N 3.11Å; C647-C650 WeakPolarHBondContact O-CB 3.27Å; C647-C650 PolarHBondContact O-N 3.5Å; V648-C650 VanDerWaalsContact C-N 3.25Å; V648-C650 PolarHBondContact O-N 2.71Å; C650-V654 WeakPolarHBondContact O-CB 3.47Å; C650-V654 WeakPolarHBondContact O-CG2 3.43Å; C650-V654 PolarHBondContact O-N 3.14Å
651M80.4Confident83Confident2 Ų259 Ų591%0.0131%0.311CS..Iπ-helixtrans-69.5-37.9-179.8-167.2-176-56.100113.1P575 E576 C647 V648 Q721 T725 Y728P575-M651 HydrophobicContact CB-CB 4.5Å; P575-M651 HydrophobicContact CB-CE 3.98Å; E576-M651 HydrophobicContact CB-CE 4.48Å; E576-M651 HydrophobicContact CG-CE 3.51Å; E576-M651 HydrophobicContact CG-SD 4.38Å; C647-M651 PolarHBondContact O-N 3.14Å; V648-M651 PolarHBondContact O-N 3.47Å; M651-Q721 PolarHBondContact O-NE2 3.13Å; M651-T725 HydrophobicContact CB-CG2 4.02Å; M651-T725 HydrophobicContact CG-CG2 4.08Å; M651-T725 HydrophobicContact SD-CG2 3.73Å; M651-Y728 HydrophobicContact CE-CD1 4.25Å
652L81.6Confident82.4Confident61 Ų6162.9 Ų62.932%0.31933%0.329SS..Iπ-helixtrans-80.1-48.1-173.4-167.4150.4000112.8V648 P649 T656 A722 T725V648-L652 PolarHBondContact O-N 3.21Å; P649-L652 PolarHBondContact O-N 3.25Å; L652-T656 PolarHBondContact O-OG1 3.17Å; L652-A722 HydrophobicContact CD1-CB 4.3Å; L652-T725 HydrophobicContact CB-CG2 4.32Å
653V77.4Confident81.8Confident61 Ų6162.5 Ų62.537%0.3732%0.322SS..Iπ-helixtrans-98.6-38.8-167.6-1790000112P649 T656 L657P649-V653 WeakPolarHBondContact O-CB 3.46Å; P649-V653 PolarHBondContact O-N 3Å; V653-T656 PolarHBondContact O-OG1 3.45Å; V653-L657 HydrophobicContact CG1-CD1 3.49Å; V653-L657 VanDerWaalsContact CG1-CD1 3.49Å; V653-L657 HydrophobicContact CG1-CG 4.04Å; V653-L657 WeakPolarHBondContact O-CB 3.48Å; V653-L657 VanDerWaalsContact O-CG 3.27Å; V653-L657 WeakPolarHBondContact O-CG 3.49Å; V653-L657 PolarHBondContact O-N 2.85Å; V653-L657 VanDerWaalsContact O-N 3.08Å
654V75Confident81.2Confident58 Ų5864 Ų6435%0.35233%0.33SS..Iπ-helixtrans-70.8-40.8-171.2-175.20000110.8L571 C650 V658L571-V654 HydrophobicContact CD1-CG1 4.12Å; L571-V654 HydrophobicContact CD2-CB 4.1Å; L571-V654 HydrophobicContact CD2-CG1 3.58Å; C650-V654 WeakPolarHBondContact O-CB 3.47Å; C650-V654 WeakPolarHBondContact O-CG2 3.43Å; C650-V654 PolarHBondContact O-N 3.14Å; V654-V658 HydrophobicContact CG1-CG2 4.07Å; V654-V658 WeakPolarHBondContact O-CB 3.37Å; V654-V658 WeakPolarHBondContact O-CG2 3.32Å; V654-V658 PolarHBondContact O-N 2.81Å
655K75Confident80.6Confident31 Ų3172.2 Ų72.214%0.13536%0.36CS..Hα-helixtrans-62.7-47.4179.1-169.5177.8169.7-165.30112.6L567 N568 L571 V658 L659L567-K655 HydrophobicContact CD2-CG 4.01Å; N568-K655 WeakPolarHBondContact OD1-CE 3.31Å; L571-K655 HydrophobicContact CB-CB 4.08Å; L571-K655 HydrophobicContact CB-CG 4.33Å; L571-K655 HydrophobicContact CD1-CB 4.11Å; L571-K655 HydrophobicContact CD1-CG 4.43Å; K655-V658 PolarHBondContact O-N 2.68Å; K655-L659 HydrophobicContact CG-CD1 4.25Å; K655-L659 WeakPolarHBondContact O-CG 3.29Å; K655-L659 PolarHBondContact O-N 2.98Å
656T77.7Confident79.9Confident11 Ų1173 Ų737%0.06736%0.36CS..Hα-helixtrans-66.7-41.4-178.953.30000111.5L652 V653 R660 A718 Q721L652-T656 PolarHBondContact O-OG1 3.17Å; V653-T656 PolarHBondContact O-OG1 3.45Å; T656-R660 WeakPolarHBondContact O-CB 3.02Å; T656-R660 PolarHBondContact O-N 2.93Å; T656-A718 HydrophobicContact CG2-CB 4.28Å; T656-Q721 HydrophobicContact CG2-CB 3.95Å; T656-Q721 HydrophobicContact CG2-CG 4.06Å
657L78.7Confident79.2Confident85 Ų8576.3 Ų76.345%0.44536%0.364SS..Hα-helixtrans-69.2-37.9176.6-70.5-178.6000113.3V653 R660 R661V653-L657 HydrophobicContact CG1-CD1 3.49Å; V653-L657 VanDerWaalsContact CG1-CD1 3.49Å; V653-L657 HydrophobicContact CG1-CG 4.04Å; V653-L657 WeakPolarHBondContact O-CB 3.48Å; V653-L657 VanDerWaalsContact O-CG 3.27Å; V653-L657 WeakPolarHBondContact O-CG 3.49Å; V653-L657 PolarHBondContact O-N 2.85Å; V653-L657 VanDerWaalsContact O-N 3.08Å; L657-R660 PolarHBondContact O-N 3.42Å; L657-R661 WeakPolarHBondContact O-CB 3.46Å; L657-R661 PolarHBondContact O-N 3.49Å
658V79.7Confident78.2Confident49 Ų4981.6 Ų81.630%0.29739%0.387SS..Hα-helixtrans-66.6-42.7177172.60000110.7L567 L571 V654 K655 R661 Q662L567-V658 HydrophobicContact CD1-CB 4.12Å; L567-V658 HydrophobicContact CD1-CG1 3.43Å; L567-V658 VanDerWaalsContact CD1-CG1 3.43Å; L571-V658 HydrophobicContact CD1-CB 4.31Å; L571-V658 HydrophobicContact CD1-CG2 4.23Å; V654-V658 HydrophobicContact CG1-CG2 4.07Å; V654-V658 WeakPolarHBondContact O-CB 3.37Å; V654-V658 WeakPolarHBondContact O-CG2 3.32Å; V654-V658 PolarHBondContact O-N 2.81Å; K655-V658 PolarHBondContact O-N 2.68Å; V658-R661 PolarHBondContact O-N 3.5Å; V658-Q662 WeakPolarHBondContact O-CG 3.26Å; V658-Q662 PolarHBondContact O-N 3.04Å
659L76.6Confident77.1Confident40 Ų4083.2 Ų83.221%0.20939%0.393CS..Hα-helixtrans-60.4-46.1174-77.9164.2000111.7L567 K655 R661 Q662 Y663 F712 M717L567-L659 HydrophobicContact CD2-CD1 3.97Å; L567-L659 HydrophobicContact CD2-CD2 3.7Å; L567-L659 HydrophobicContact CD2-CG 3.63Å; K655-L659 HydrophobicContact CG-CD1 4.25Å; K655-L659 WeakPolarHBondContact O-CG 3.29Å; K655-L659 PolarHBondContact O-N 2.98Å; L659-R661 VanDerWaalsContact C-N 3.31Å; L659-R661 PolarHBondContact O-N 2.8Å; L659-Q662 PolarHBondContact O-N 3.22Å; L659-Y663 PolarHBondContact O-N 3.18Å; L659-F712 HydrophobicContact CB-CZ 4.31Å; L659-M717 HydrophobicContact CD1-CG 4.42Å; L659-M717 HydrophobicContact CD1-SD 4.41Å
660R78.6Confident75.8Confident118 Ų11881.7 Ų81.745%0.44539%0.391SS..Hα-helixtrans-59.5-41.9175.6-177.1179.2174.2-173.4-0.5112.1T656 L657 Y663 L664 F714T656-R660 WeakPolarHBondContact O-CB 3.02Å; T656-R660 PolarHBondContact O-N 2.93Å; L657-R660 PolarHBondContact O-N 3.42Å; R660-Y663 PolarHBondContact O-N 3.38Å; R660-L664 HydrophobicContact CG-CD1 4.08Å; R660-L664 WeakPolarHBondContact O-CB 3.26Å; R660-L664 WeakPolarHBondContact O-CG 3.36Å; R660-L664 PolarHBondContact O-N 3.37Å; R660-F714 HydrophobicContact CB-CD2 3.86Å; R660-F714 HydrophobicContact CB-CE2 3.84Å; R660-F714 HydrophobicContact CG-CD2 4.14Å; R660-F714 HydrophobicContact CG-CE2 4.3Å
661R80.3Confident74.4Confident202 Ų20284.1 Ų84.176%0.76241%0.405SS*.Hα-helixtrans-65.4-40.3177.9-173.6177.7175.8-176-1.3111.6L657 V658 L659 W665L657-R661 WeakPolarHBondContact O-CB 3.46Å; L657-R661 PolarHBondContact O-N 3.49Å; V658-R661 PolarHBondContact O-N 3.5Å; L659-R661 VanDerWaalsContact C-N 3.31Å; L659-R661 PolarHBondContact O-N 2.8Å; R661-W665 VanDerWaalsContact O-CB 3.3Å; R661-W665 WeakPolarHBondContact O-CB 3.27Å; R661-W665 PolarHBondContact O-N 3.17Å
662Q78.2Confident73Confident91 Ų9191.3 Ų91.343%0.42544%0.438SS..Hα-helixtrans-64.4-44.5175.1-74.3178.6-13.700111.7V658 L659 W665 Q666V658-Q662 WeakPolarHBondContact O-CG 3.26Å; V658-Q662 PolarHBondContact O-N 3.04Å; L659-Q662 PolarHBondContact O-N 3.22Å; Q662-W665 PolarHBondContact O-N 3.38Å; Q662-Q666 WeakPolarHBondContact O-CG 3.27Å; Q662-Q666 PolarHBondContact O-N 3.46Å
663Y77.9Confident71.3Confident91 Ų9195.1 Ų95.136%0.35746%0.459SS..Hα-helixtrans-60-48.9176174.3-100.4000112.1L659 R660 W665 Q666 K667 F712L659-Y663 PolarHBondContact O-N 3.18Å; R660-Y663 PolarHBondContact O-N 3.38Å; Y663-W665 VanDerWaalsContact C-N 3.27Å; Y663-W665 PolarHBondContact O-N 2.93Å; Y663-Q666 PolarHBondContact O-N 3.38Å; Y663-K667 WeakPolarHBondContact O-CB 3.48Å; Y663-K667 PolarHBondContact O-N 3.29Å; Y663-F712 AromaticContact CD1-CD1 3.86Å; Y663-F712 HydrophobicContact CD1-CD1 3.86Å; Y663-F712 HydrophobicContact CD1-CE1 4.39Å; Y663-F712 HydrophobicContact CD2-CB 3.91Å; Y663-F712 HydrophobicContact CD2-CD1 4.07Å; Y663-F712 HydrophobicContact CD2-CG 4.01Å; Y663-F712 HydrophobicContact CE1-CD1 4.27Å; Y663-F712 HydrophobicContact CE2-CB 3.75Å; Y663-F712 HydrophobicContact CE2-CD1 4.46Å; Y663-F712 HydrophobicContact CE2-CG 4.33Å; Y663-F712 HydrophobicContact CG-CB 4.46Å; Y663-F712 AromaticContact CG-CD1 3.75Å; Y663-F712 HydrophobicContact CG-CD1 3.75Å; Y663-F712 HydrophobicContact CG-CE1 4.25Å; Y663-F712 HydrophobicContact CG-CG 4.16Å
664L78.2Confident69.8Low77 Ų77102 Ų10240%0.40348%0.484SS..Hα-helixtrans-60.8-37.4176.6-73.1169.4000112R660 H668R660-L664 HydrophobicContact CG-CD1 4.08Å; R660-L664 WeakPolarHBondContact O-CB 3.26Å; R660-L664 WeakPolarHBondContact O-CG 3.36Å; R660-L664 PolarHBondContact O-N 3.37Å; L664-H668 WeakPolarHBondContact O-CB 3.3Å; L664-H668 PolarHBondContact O-CD2 2.94Å; L664-H668 PolarHBondContact O-N 2.93Å
665W76.8Confident68.2Low178 Ų178102.3 Ų102.367%0.67450%0.499SS*.Hα-helixtrans-70.5-41.5178.1-16927000112.6R661 Q662 Y663 H668 L669R661-W665 VanDerWaalsContact O-CB 3.3Å; R661-W665 WeakPolarHBondContact O-CB 3.27Å; R661-W665 PolarHBondContact O-N 3.17Å; Q662-W665 PolarHBondContact O-N 3.38Å; Y663-W665 VanDerWaalsContact C-N 3.27Å; Y663-W665 PolarHBondContact O-N 2.93Å; W665-H668 PolarHBondContact O-N 3.35Å; W665-L669 VanDerWaalsContact CD1-CD1 3.47Å; W665-L669 HydrophobicContact CD2-CD1 4.42Å; W665-L669 HydrophobicContact CG-CD1 4.21Å; W665-L669 WeakPolarHBondContact O-CD1 3.45Å; W665-L669 PolarHBondContact O-N 2.86Å
666Q74Confident66.5Low140 Ų140103.9 Ų103.965%0.65452%0.524SS*.Hα-helixtrans-62.2-42172.9-78.5179.5-19.200111.7Q662 Y663 H668 L669 G670Q662-Q666 WeakPolarHBondContact O-CG 3.27Å; Q662-Q666 PolarHBondContact O-N 3.46Å; Y663-Q666 PolarHBondContact O-N 3.38Å; Q666-H668 VanDerWaalsContact C-N 3.34Å; Q666-H668 PolarHBondContact O-N 2.99Å; Q666-L669 PolarHBondContact O-N 3.41Å; Q666-G670 PolarHBondContact O-N 3.41Å
667K73.1Confident64.6Low127 Ų127109.7 Ų109.755%0.55256%0.56SS**Hα-helixtrans-60-44174.7-170.6174.4-176.9169.80111.6Y663 G670 T671Y663-K667 WeakPolarHBondContact O-CB 3.48Å; Y663-K667 PolarHBondContact O-N 3.29Å; K667-G670 PolarHBondContact O-N 3.18Å; K667-T671 PolarHBondContact O-N 3.13Å; K667-T671 PolarHBondContact O-OG1 3.15Å
668H67.1Low62.6Low126 Ų126117.9 Ų117.958%0.58358%0.584SS**Hα-helixtrans-66.7-36.4177.1-77.4-159.7000113.1L664 W665 Q666 T671 Q672L664-H668 WeakPolarHBondContact O-CB 3.3Å; L664-H668 PolarHBondContact O-CD2 2.94Å; L664-H668 PolarHBondContact O-N 2.93Å; W665-H668 PolarHBondContact O-N 3.35Å; Q666-H668 VanDerWaalsContact C-N 3.34Å; Q666-H668 PolarHBondContact O-N 2.99Å; H668-T671 WeakPolarHBondContact CA-OG1 3.16Å; H668-T671 PolarHBondContact O-OG1 3.26Å; H668-Q672 PolarHBondContact O-N 3.06Å
669L63.4Low60.3Low83 Ų83121.8 Ų121.844%0.43561%0.608SS.*Hα-helixtrans-69.9-40.4173.5-101.595.7000112.3W665 Q666 T671 Q672 N673W665-L669 VanDerWaalsContact CD1-CD1 3.47Å; W665-L669 HydrophobicContact CD2-CD1 4.42Å; W665-L669 HydrophobicContact CG-CD1 4.21Å; W665-L669 WeakPolarHBondContact O-CD1 3.45Å; W665-L669 PolarHBondContact O-N 2.86Å; Q666-L669 PolarHBondContact O-N 3.41Å; L669-T671 VanDerWaalsContact C-N 3.31Å; L669-T671 PolarHBondContact O-N 2.85Å; L669-Q672 PolarHBondContact O-N 3.34Å; L669-N673 PolarHBondContact O-N 3.48Å
670G57.4Low58.2Low41 Ų41122.8 Ų122.842%0.42363%0.628SS.*Hα-helixtrans-63.8-35176.600000112.9Q666 K667 Q672Q666-G670 PolarHBondContact O-N 3.41Å; K667-G670 PolarHBondContact O-N 3.18Å; G670-Q672 VanDerWaalsContact C-N 3.35Å
671T54.8Low55.8Low95 Ų95125.1 Ų125.158%0.58365%0.65SS**Hα-helixtrans-72.7-24.6174.414.20000113.4K667 H668 L669 G675K667-T671 PolarHBondContact O-N 3.13Å; K667-T671 PolarHBondContact O-OG1 3.15Å; H668-T671 WeakPolarHBondContact CA-OG1 3.16Å; H668-T671 PolarHBondContact O-OG1 3.26Å; L669-T671 VanDerWaalsContact C-N 3.31Å; L669-T671 PolarHBondContact O-N 2.85Å; T671-G675 PolarHBondContact O-N 3.44Å
672Q50.9Low53.2Low152 Ų152118.9 Ų118.971%0.7165%0.648SS**Hα-helixtrans-75.5-31.5174.9-93.8-172.6-23.100113.3H668 L669 G670 F674 G675H668-Q672 PolarHBondContact O-N 3.06Å; L669-Q672 PolarHBondContact O-N 3.34Å; G670-Q672 VanDerWaalsContact C-N 3.35Å; Q672-F674 PolarHBondContact O-N 2.97Å; Q672-G675 PolarHBondContact O-N 2.95Å
673N45.7Very low52Low142 Ų142120.2 Ų120.276%0.75967%0.665SS**Hα-helixtrans-76.6-18.1-178.4-72-10.4000114.2L669L669-N673 PolarHBondContact O-N 3.48Å
674F46.2Very low49.6Very low205 Ų205122.6 Ų122.690%0.89969%0.689SS**Hα-helixtrans-102.1-7.5173.4-98-87.5000114.1Q672 G676Q672-F674 PolarHBondContact O-N 2.97Å; F674-G676 PolarHBondContact O-N 3.4Å
675G41.1Very low47.3Very low64 Ų64127.3 Ų127.366%0.6671%0.709SS**  trans-95.762.3-176.100000113T671 Q672T671-G675 PolarHBondContact O-N 3.44Å; Q672-G675 PolarHBondContact O-N 2.95Å
676G40.6Very low44.9Very low65 Ų65125.5 Ų125.567%0.6771%0.713SS**  trans-140.425.2-166.400000118.2F674F674-G676 PolarHBondContact O-N 3.4Å
677V37.2Very low42.7Very low133 Ų133127.3 Ų127.381%0.80672%0.721SS**  trans-144.494.5159.6-173.20000110V679V677-V679 HydrophobicContact CG1-CG2 3.8Å
678R35.9Very low40.5Very low256 Ų256125.6 Ų125.697%0.96673%0.731SS**  trans-104.8105.9154.6-90.4-177170.2178.4-2.5106.6
679V33.1Very low38.5Very low131 Ų131127.2 Ų127.279%0.79474%0.738SS**  trans-107.7114.8163.7-174.90000107V677V677-V679 HydrophobicContact CG1-CG2 3.8Å
680G32.4Very low36.8Very low61 Ų61129.7 Ų129.763%0.62975%0.75SS**  trans-94.5131.6163.500000109.7
681N26.6Very low35.5Very low168 Ų168135.4 Ų135.490%0.89877%0.77SS**  trans174.1130.1134.9-91.6-5.8000108.4
682G26.4Very low34.2Very low71 Ų71138.7 Ų138.773%0.73278%0.778SS**  trans-85-164.716600000111.5
683P53.1Low33Very low119 Ų119139.5 Ų139.577%0.77378%0.782SS**  cis-122.8-163.6-25.834.6-14.9000111.3
684T26.7Very low32.1Very low141 Ų141139.2 Ų139.287%0.86578%0.78SS**  trans102.6138.3163.670.10000119.9
685E31.2Very low31.3Very low175 Ų175137.8 Ų137.882%0.81878%0.777SS**  trans-72171.7-169.9-67.4162.6145.200114.7
686D26.2Very low30.8Very low141 Ų141143 Ų14375%0.75479%0.788SS**  trans91.2117.4154.6-65.4-20.3000121.8
687E28Very low30.3Very low178 Ų178144.8 Ų144.883%0.83280%0.797SS**  trans77.1125.9138.3-68.2-172.8163.500123.1
688A27.2Very low30Very low91 Ų91147.9 Ų147.975%0.75280%0.803SS**  trans77143.2132.500000119
689E24.3Very low29.5Very low160 Ų160144.1 Ų144.175%0.74880%0.796SS**  cis175.3147-16.3-129.6-166.316700106.1
690I27.7Very low29.3Very low134 Ų134144.2 Ų144.269%0.68780%0.797SS**  trans73.1129150-43.8158.1000115.3
691I29.3Very low29.1Very low162 Ų162150.2 Ų150.283%0.83181%0.808SS**  -159.1148.154.7-67.9162.5000112.4
692Q28.2Very low29.1Very low163 Ų163150.6 Ų150.676%0.76281%0.805SS**  trans-91.5147.9-177.4178.2171.53.200113.8
693H26.8Very low29.2Very low170 Ų170155.5 Ų155.579%0.78781%0.809SS**  trans167.2135.4143.1-97.6-72.1000106.2
694D25.7Very low28.2Very low136 Ų136155.7 Ų155.773%0.72781%0.81SS**  cis-158.5136.226.6-133.3-8.5000109
695Q30.5Very low28.3Very low175 Ų175158 Ų15882%0.81881%0.811SS**  trans-82.1119167.9-71.5172.4-26.500107.9
696L29.3Very low28.2Very low173 Ų173153.9 Ų153.991%0.90681%0.807SS**  trans-178.284.9152.9-100.2152.8000109.9
697A29.7Very low28.5Very low103 Ų103152.1 Ų152.185%0.85180%0.803SS**  trans176.663.9150.400000109.9
698Q31.8Very low28.7Very low198 Ų198152.6 Ų152.693%0.92581%0.806SS**  trans-94.284.2156.6-90.1-177.6-23.800107.5
699Q25.7Very low29.3Very low177 Ų177157.1 Ų157.183%0.82781%0.811SS**SBendtrans-142.795.8155.5-74.5-168.3-22.100107.4E701Q699-E701 PolarHBondContact O-N 3.35Å
700T29.3Very low30.3Very low133 Ų133158.4 Ų158.482%0.81682%0.817SS**  trans21.781.5149.7-33.20000116.1E702T700-E702 HydrophobicContact CG2-CG 4.48Å
701E27.3Very low31.4Very low186 Ų186160.8 Ų160.887%0.86983%0.825SS**  trans-91.3104.5147-74.8-174.7167.800105.9Q699 E703Q699-E701 PolarHBondContact O-N 3.35Å; E701-E703 VanDerWaalsContact C-N 3.35Å; E701-E703 PolarHBondContact O-N 3.41Å
702E26.8Very low33Very low176 Ų176156 Ų15682%0.82280%0.799SS**  trans-57.2106.4156.4-76.8174.5162.900106.2T700T700-E702 HydrophobicContact CG2-CG 4.48Å
703E28.3Very low35.5Very low175 Ų175152.9 Ų152.982%0.81879%0.787SS**  trans-49.5132.3163.7-69.6-176.715300107.7E701 E705E701-E703 VanDerWaalsContact C-N 3.35Å; E701-E703 PolarHBondContact O-N 3.41Å; E703-E705 PolarHBondContact O-N 3.08Å
704P32Very low38Very low122 Ų122147.9 Ų147.979%0.79276%0.763SS**  trans-59.1120.7173.624.4-30.4000107.3A706P704-A706 PolarHBondContact O-N 2.87Å
705E28.6Very low40.8Very low189 Ų189144.2 Ų144.288%0.88375%0.751SS**  trans-39.4110.9175.2-72.9-178.6152.500109.4E703E703-E705 PolarHBondContact O-N 3.08Å
706A29.4Very low43.5Very low90 Ų90141 Ų14174%0.74474%0.74SS**  trans-56.7125.4165.900000106.3P704 E708P704-A706 PolarHBondContact O-N 2.87Å; A706-E708 PolarHBondContact O-N 3.27Å
707P33.6Very low45.9Very low103 Ų103136.3 Ų136.367%0.66971%0.714SS**  trans-60.2136.8-178.625.1-32000108.4E709P707-E709 PolarHBondContact O-N 3.31Å
708E32Very low48.6Very low189 Ų189132.7 Ų132.788%0.88369%0.685SS**  trans-45.4109.1164.7-65.9179.9155.500108A706 E710A706-E708 PolarHBondContact O-N 3.27Å; E708-E710 PolarHBondContact O-N 3.29Å
709E39.3Very low51.3Low185 Ų185127.2 Ų127.286%0.86467%0.665SS**  trans-61.4106.1167-73.4-172.8159.500105.9P707 E711P707-E709 PolarHBondContact O-N 3.31Å; E709-E711 PolarHBondContact O-N 2.86Å
710E44.3Very low54.1Low188 Ų188124.7 Ų124.788%0.87965%0.653SS**  trans-46.3110.6172.2-76.4-178164.700108.3E708 F712E708-E710 PolarHBondContact O-N 3.29Å; E710-F712 PolarHBondContact O-N 2.91Å
711E50.8Low56.8Low184 Ų184118.8 Ų118.886%0.8662%0.616SS**  trans-53.9119.7177.3-72.9-169.4151.900108E709 N713E709-E711 PolarHBondContact O-N 2.86Å; E711-N713 VanDerWaalsContact C-N 3.3Å; E711-N713 PolarHBondContact O-N 3.35Å
712F64.6Low59.7Low61 Ų61111.1 Ų111.127%0.26858%0.584SS.*  trans-61.492.8179.6177-100.8000110L659 Y663 E710 F714L659-F712 HydrophobicContact CB-CZ 4.31Å; Y663-F712 AromaticContact CD1-CD1 3.86Å; Y663-F712 HydrophobicContact CD1-CD1 3.86Å; Y663-F712 HydrophobicContact CD1-CE1 4.39Å; Y663-F712 HydrophobicContact CD2-CB 3.91Å; Y663-F712 HydrophobicContact CD2-CD1 4.07Å; Y663-F712 HydrophobicContact CD2-CG 4.01Å; Y663-F712 HydrophobicContact CE1-CD1 4.27Å; Y663-F712 HydrophobicContact CE2-CB 3.75Å; Y663-F712 HydrophobicContact CE2-CD1 4.46Å; Y663-F712 HydrophobicContact CE2-CG 4.33Å; Y663-F712 HydrophobicContact CG-CB 4.46Å; Y663-F712 AromaticContact CG-CD1 3.75Å; Y663-F712 HydrophobicContact CG-CD1 3.75Å; Y663-F712 HydrophobicContact CG-CE1 4.25Å; Y663-F712 HydrophobicContact CG-CG 4.16Å; E710-F712 PolarHBondContact O-N 2.91Å; F712-F714 HydrophobicContact CE1-CB 4.11Å; F712-F714 HydrophobicContact CE1-CD2 4.37Å; F712-F714 PolarHBondContact O-N 2.88Å
713N79.1Confident62.7Low97 Ų97107.3 Ų107.352%0.51957%0.569SS.*  trans-85.696.6178.4-167.8-15.2000109.4E711 A715 D716 M717E711-N713 VanDerWaalsContact C-N 3.3Å; E711-N713 PolarHBondContact O-N 3.35Å; N713-A715 PolarHBondContact O-N 3.39Å; N713-A715 WeakPolarHBondContact OD1-CB 3.34Å; N713-A715 PolarHBondContact OD1-N 3.45Å; N713-A715 VanDerWaalsContact OD1-N 3.09Å; N713-D716 HydrophobicContact CB-CB 4.07Å; N713-D716 PolarHBondContact O-N 3.27Å; N713-M717 PolarHBondContact O-N 3.43Å; N713-M717 VanDerWaalsContact O-N 3.13Å
714F81.1Confident65.5Low66 Ų66102.7 Ų102.729%0.28955%0.547SS..Hα-helixtrans-55.5-34.7177.5176.6-100.2000112.5R660 F712 A718R660-F714 HydrophobicContact CB-CD2 3.86Å; R660-F714 HydrophobicContact CB-CE2 3.84Å; R660-F714 HydrophobicContact CG-CD2 4.14Å; R660-F714 HydrophobicContact CG-CE2 4.3Å; F712-F714 HydrophobicContact CE1-CB 4.11Å; F712-F714 HydrophobicContact CE1-CD2 4.37Å; F712-F714 PolarHBondContact O-N 2.88Å; F714-A718 WeakPolarHBondContact O-CB 3.22Å; F714-A718 PolarHBondContact O-N 3.1Å
715A83.8Confident68.2Low58 Ų5897 Ų9748%0.47951%0.51SS..Hα-helixtrans-67.5-44.2-179.200000111.3N713 A718 V719N713-A715 PolarHBondContact O-N 3.39Å; N713-A715 WeakPolarHBondContact OD1-CB 3.34Å; N713-A715 PolarHBondContact OD1-N 3.45Å; N713-A715 VanDerWaalsContact OD1-N 3.09Å; A715-A718 PolarHBondContact O-N 2.94Å; A715-V719 VanDerWaalsContact O-CG2 3.31Å; A715-V719 WeakPolarHBondContact O-CG2 3.35Å; A715-V719 PolarHBondContact O-N 3.29Å
716D86.3Confident71.1Confident109 Ų10992.6 Ų92.658%0.58349%0.491SS*.Hα-helixtrans-66.1-46.5179.7-17035.7000111.7N713 A718 V719 H720N713-D716 HydrophobicContact CB-CB 4.07Å; N713-D716 PolarHBondContact O-N 3.27Å; D716-A718 VanDerWaalsContact C-N 3.29Å; D716-A718 PolarHBondContact O-N 3.25Å; D716-V719 PolarHBondContact O-N 2.98Å; D716-H720 WeakPolarHBondContact O-CB 3.31Å; D716-H720 PolarHBondContact O-N 3.08Å
717M81.1Confident74Confident73 Ų7394.1 Ų94.136%0.3648%0.483SS..Hα-helixtrans-58.7-40.2174.5-176.964.364.500112.3L659 N713 Q721L659-M717 HydrophobicContact CD1-CG 4.42Å; L659-M717 HydrophobicContact CD1-SD 4.41Å; N713-M717 PolarHBondContact O-N 3.43Å; N713-M717 VanDerWaalsContact O-N 3.13Å; M717-Q721 VanDerWaalsContact O-CB 3.26Å; M717-Q721 WeakPolarHBondContact O-CB 3.35Å; M717-Q721 PolarHBondContact O-N 3Å
718A84.9Confident76.6Confident28 Ų2889.8 Ų89.823%0.23145%0.454CS..Hα-helixtrans-68.3-41.2178.300000112.4T656 F714 A715 D716 A722T656-A718 HydrophobicContact CG2-CB 4.28Å; F714-A718 WeakPolarHBondContact O-CB 3.22Å; F714-A718 PolarHBondContact O-N 3.1Å; A715-A718 PolarHBondContact O-N 2.94Å; D716-A718 VanDerWaalsContact C-N 3.29Å; D716-A718 PolarHBondContact O-N 3.25Å; A718-A722 VanDerWaalsContact O-CB 3.31Å; A718-A722 WeakPolarHBondContact O-CB 3.49Å; A718-A722 PolarHBondContact O-N 2.96Å
719V88.6Confident79.3Confident83 Ų8381.7 Ų81.750%0.50342%0.417SS..Hα-helixtrans-65.7-48.2176.3171.50000110.6A715 D716 Q721 A722 I723A715-V719 VanDerWaalsContact O-CG2 3.31Å; A715-V719 WeakPolarHBondContact O-CG2 3.35Å; A715-V719 PolarHBondContact O-N 3.29Å; D716-V719 PolarHBondContact O-N 2.98Å; V719-Q721 VanDerWaalsContact C-N 3.35Å; V719-Q721 PolarHBondContact O-N 3.35Å; V719-A722 WeakPolarHBondContact O-CB 3.34Å; V719-A722 PolarHBondContact O-N 3.01Å; V719-A722 VanDerWaalsContact O-N 3.16Å; V719-I723 HydrophobicContact CG1-CD1 3.93Å; V719-I723 WeakPolarHBondContact O-CG1 3.11Å; V719-I723 PolarHBondContact O-N 3.2Å
720H86.1Confident81.6Confident124 Ų12478.4 Ų78.457%0.57441%0.405SS*.Hα-helixtrans-59.3-44.8178.6-172.179.3000111.9D716 A722 I723 H724D716-H720 WeakPolarHBondContact O-CB 3.31Å; D716-H720 PolarHBondContact O-N 3.08Å; H720-A722 PolarHBondContact O-N 3.41Å; H720-I723 PolarHBondContact O-N 3.45Å; H720-H724 PolarHBondContact O-N 3.31Å
721Q85.5Confident83.7Confident8 Ų870.1 Ų70.14%0.03737%0.371CS..Hα-helixtrans-67.1-34.7177.1-174.262.140.400112.6M651 T656 M717 V719 T725M651-Q721 PolarHBondContact O-NE2 3.13Å; T656-Q721 HydrophobicContact CG2-CB 3.95Å; T656-Q721 HydrophobicContact CG2-CG 4.06Å; M717-Q721 VanDerWaalsContact O-CB 3.26Å; M717-Q721 WeakPolarHBondContact O-CB 3.35Å; M717-Q721 PolarHBondContact O-N 3Å; V719-Q721 VanDerWaalsContact C-N 3.35Å; V719-Q721 PolarHBondContact O-N 3.35Å; Q721-T725 WeakPolarHBondContact O-CB 3.45Å; Q721-T725 PolarHBondContact O-N 2.89Å; Q721-T725 PolarHBondContact O-OG1 3.21Å
722A88.1Confident85.4Confident26 Ų2661.4 Ų61.422%0.21533%0.33CS..Hα-helixtrans-64.9-44.7174.600000111.4L652 A718 V719 H720 T725 I726L652-A722 HydrophobicContact CD1-CB 4.3Å; A718-A722 VanDerWaalsContact O-CB 3.31Å; A718-A722 WeakPolarHBondContact O-CB 3.49Å; A718-A722 PolarHBondContact O-N 2.96Å; V719-A722 WeakPolarHBondContact O-CB 3.34Å; V719-A722 PolarHBondContact O-N 3.01Å; V719-A722 VanDerWaalsContact O-N 3.16Å; H720-A722 PolarHBondContact O-N 3.41Å; A722-T725 PolarHBondContact O-N 2.79Å; A722-I726 WeakPolarHBondContact O-CG1 3.43Å; A722-I726 PolarHBondContact O-N 3.3Å
723I89.8Confident86.6Confident96 Ų9662.8 Ų62.849%0.49234%0.339SS..Hα-helixtrans-58.9-51.9175.1-66.1167.3000109.9V719 H720 T725 I726 E727V719-I723 HydrophobicContact CG1-CD1 3.93Å; V719-I723 WeakPolarHBondContact O-CG1 3.11Å; V719-I723 PolarHBondContact O-N 3.2Å; H720-I723 PolarHBondContact O-N 3.45Å; I723-T725 VanDerWaalsContact C-N 3.28Å; I723-T725 PolarHBondContact O-N 3.02Å; I723-I726 PolarHBondContact O-N 3.05Å; I723-E727 VanDerWaalsContact O-CB 3.28Å; I723-E727 WeakPolarHBondContact O-CB 3.44Å; I723-E727 PolarHBondContact O-N 3.46Å
724H87Confident87.3Confident78 Ų7861.8 Ų61.836%0.36134%0.34SS..Hα-helixtrans-55.1-43.2178.4-179-83.6000112.4E576 H720 Y728E576-H724 IonicContact OE1-CE1 3.18Å; E576-H724 PolarHBondContact OE1-CE1 3.46Å; H720-H724 PolarHBondContact O-N 3.31Å; H724-Y728 VanDerWaalsContact O-CB 3.27Å; H724-Y728 WeakPolarHBondContact O-CB 3.46Å; H724-Y728 PolarHBondContact O-N 3.17Å
725T88.1Confident87.7Confident2 Ų259.5 Ų59.51%0.01233%0.331CS..Hα-helixtrans-67.8-44-179.4-54.30000111.7V648 M651 L652 Q721 A722 I723 Y728 C729V648-T725 HydrophobicContact CG1-CG2 4.4Å; M651-T725 HydrophobicContact CB-CG2 4.02Å; M651-T725 HydrophobicContact CG-CG2 4.08Å; M651-T725 HydrophobicContact SD-CG2 3.73Å; L652-T725 HydrophobicContact CB-CG2 4.32Å; Q721-T725 WeakPolarHBondContact O-CB 3.45Å; Q721-T725 PolarHBondContact O-N 2.89Å; Q721-T725 PolarHBondContact O-OG1 3.21Å; A722-T725 PolarHBondContact O-N 2.79Å; I723-T725 VanDerWaalsContact C-N 3.28Å; I723-T725 PolarHBondContact O-N 3.02Å; T725-Y728 PolarHBondContact O-N 3.29Å; T725-C729 WeakPolarHBondContact O-CB 3.45Å; T725-C729 PolarHBondContact O-N 3.25Å; T725-C729 PolarHBondContact O-SG 3.2Å
726I89.6Confident88Confident97 Ų9757.1 Ų57.150%0.49731%0.31SS..Hα-helixtrans-65.8-46.2178.7-69.2168.4000110.3A722 I723 Y728 C729 L730A722-I726 WeakPolarHBondContact O-CG1 3.43Å; A722-I726 PolarHBondContact O-N 3.3Å; I723-I726 PolarHBondContact O-N 3.05Å; I726-Y728 VanDerWaalsContact C-N 3.35Å; I726-Y728 PolarHBondContact O-N 2.79Å; I726-C729 PolarHBondContact O-N 3.49Å; I726-L730 HydrophobicContact CG2-CD1 3.75Å; I726-L730 HydrophobicContact CG2-CG 4.41Å; I726-L730 WeakPolarHBondContact O-CB 3.48Å; I726-L730 PolarHBondContact O-N 3.17Å
727E90.3Very high88.2Confident121 Ų12154.6 Ų54.657%0.56530%0.304SS*.Hα-helixtrans-60.9-43.5177.5-174.6177.3-177.400111.2I723 G731I723-E727 VanDerWaalsContact O-CB 3.28Å; I723-E727 WeakPolarHBondContact O-CB 3.44Å; I723-E727 PolarHBondContact O-N 3.46Å; E727-G731 WeakPolarHBondContact O-CA 3.45Å; E727-G731 PolarHBondContact O-N 2.89Å
728Y88.6Confident88.7Confident13 Ų1351.8 Ų51.85%0.05129%0.292CS..Hα-helixtrans-62.9-49.6176.4-178.5-90.2000112.2E576 F579 M651 H724 T725 I726 G731 C732 K814E576-Y728 HydrophobicContact CB-CE1 3.96Å; E576-Y728 HydrophobicContact CB-CE2 4.07Å; E576-Y728 WeakPolarHBondContact CB-OH 3.34Å; E576-Y728 HydrophobicContact CG-CD1 4.12Å; E576-Y728 HydrophobicContact CG-CD2 4.14Å; E576-Y728 HydrophobicContact CG-CE1 3.73Å; E576-Y728 HydrophobicContact CG-CE2 3.74Å; E576-Y728 HydrophobicContact CG-CG 4.33Å; E576-Y728 PolarHBondContact O-OH 2.97Å; F579-Y728 HydrophobicContact CD1-CE1 4.11Å; M651-Y728 HydrophobicContact CE-CD1 4.25Å; H724-Y728 VanDerWaalsContact O-CB 3.27Å; H724-Y728 WeakPolarHBondContact O-CB 3.46Å; H724-Y728 PolarHBondContact O-N 3.17Å; T725-Y728 PolarHBondContact O-N 3.29Å; I726-Y728 VanDerWaalsContact C-N 3.35Å; I726-Y728 PolarHBondContact O-N 2.79Å; Y728-G731 PolarHBondContact O-N 3.29Å; Y728-C732 WeakPolarHBondContact CE1-SG 3.41Å; Y728-C732 VanDerWaalsContact CZ-SG 3.52Å; Y728-C732 WeakPolarHBondContact O-CB 3.36Å; Y728-C732 PolarHBondContact O-N 3.46Å; Y728-C732 PolarHBondContact O-SG 3.49Å; Y728-K814 HydrophobicContact CD2-CD 4.31Å; Y728-K814 VanDerWaalsContact CD2-NZ 3.27Å; Y728-K814 HydrophobicContact CE2-CD 3.91Å
729C87.9Confident89.2Confident18 Ų1850.4 Ų50.412%0.12228%0.281CS..Hα-helixtrans-64.9-50.3-176-73.20000112.5F579 T725 I726 C732F579-C729 HydrophobicContact CZ-CB 4.32Å; T725-C729 WeakPolarHBondContact O-CB 3.45Å; T725-C729 PolarHBondContact O-N 3.25Å; T725-C729 PolarHBondContact O-SG 3.2Å; I726-C729 PolarHBondContact O-N 3.49Å; C729-C732 PolarHBondContact O-N 2.8Å
730L88.6Confident89.4Confident116 Ų11649.4 Ų49.461%0.60727%0.272SS*.Hα-helixtrans-69.3-38.4177-65.9177.3000111.2I726 C732 I733 S734I726-L730 HydrophobicContact CG2-CD1 3.75Å; I726-L730 HydrophobicContact CG2-CG 4.41Å; I726-L730 WeakPolarHBondContact O-CB 3.48Å; I726-L730 PolarHBondContact O-N 3.17Å; L730-C732 VanDerWaalsContact C-N 3.33Å; L730-C732 PolarHBondContact O-N 2.69Å; L730-I733 PolarHBondContact O-N 2.84Å; L730-S734 PolarHBondContact O-N 3.44Å; L730-S734 VanDerWaalsContact O-N 3.1Å
731G88.3Confident89.7Confident15 Ų1546.5 Ų46.516%0.15526%0.256CS..Hα-helixtrans-60.5-37.9175.700000112.4E727 Y728 I733 S734 N735E727-G731 WeakPolarHBondContact O-CA 3.45Å; E727-G731 PolarHBondContact O-N 2.89Å; Y728-G731 PolarHBondContact O-N 3.29Å; G731-I733 VanDerWaalsContact C-N 3.3Å; G731-I733 PolarHBondContact O-N 2.98Å; G731-S734 PolarHBondContact O-N 3.06Å; G731-N735 WeakPolarHBondContact O-CA 3.36Å; G731-N735 WeakPolarHBondContact O-CB 3Å; G731-N735 PolarHBondContact O-N 3.35Å; G731-N735 PolarHBondContact O-ND2 3.09Å; G731-N735 PolarHBondContact O-OD1 3.24Å
732C87.1Confident90.1Very high0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-59.9-39.4176.8-74.30000112.7F579 F584 Y728 C729 L730 T736F579-C732 HydrophobicContact CE1-CB 4.14Å; F584-C732 HydrophobicContact CE2-CB 4.27Å; Y728-C732 WeakPolarHBondContact CE1-SG 3.41Å; Y728-C732 VanDerWaalsContact CZ-SG 3.52Å; Y728-C732 WeakPolarHBondContact O-CB 3.36Å; Y728-C732 PolarHBondContact O-N 3.46Å; Y728-C732 PolarHBondContact O-SG 3.49Å; C729-C732 PolarHBondContact O-N 2.8Å; L730-C732 VanDerWaalsContact C-N 3.33Å; L730-C732 PolarHBondContact O-N 2.69Å; C732-T736 WeakPolarHBondContact O-CB 3.34Å; C732-T736 PolarHBondContact O-N 3.45Å; C732-T736 VanDerWaalsContact O-N 3.11Å; C732-T736 PolarHBondContact O-OG1 3.3Å
733I89.9Confident90.4Very high90 Ų9047.7 Ų47.746%0.46226%0.255SS..Hα-helixtrans-69.7-49.2177.5-57.2172.5000110.2F584 L730 G731 T736 A737F584-I733 HydrophobicContact CE2-CG1 4.45Å; F584-I733 HydrophobicContact CZ-CB 4.38Å; F584-I733 HydrophobicContact CZ-CG1 4.06Å; L730-I733 PolarHBondContact O-N 2.84Å; G731-I733 VanDerWaalsContact C-N 3.3Å; G731-I733 PolarHBondContact O-N 2.98Å; I733-T736 PolarHBondContact O-N 3.39Å; I733-A737 PolarHBondContact O-N 2.85Å
734S91.8Very high90.5Very high77 Ų7745.5 Ų45.554%0.53825%0.251SS..Hα-helixtrans-62-45.2-179.8-168.40000112.2L730 G731 T736 A737 S738L730-S734 PolarHBondContact O-N 3.44Å; L730-S734 VanDerWaalsContact O-N 3.1Å; G731-S734 PolarHBondContact O-N 3.06Å; S734-T736 PolarHBondContact O-N 3.43Å; S734-A737 PolarHBondContact O-N 3.49Å; S734-S738 WeakPolarHBondContact O-CB 3.45Å; S734-S738 PolarHBondContact O-N 3.42Å
735N91.1Very high90.8Very high18 Ų1842.9 Ų42.910%0.09624%0.239CC..Hα-helixtrans-65-40.7179.4-66.4-0.2000111.2M549 G731 S738 Y739 E810M549-N735 HydrophobicContact SD-CB 3.71Å; G731-N735 WeakPolarHBondContact O-CA 3.36Å; G731-N735 WeakPolarHBondContact O-CB 3Å; G731-N735 PolarHBondContact O-N 3.35Å; G731-N735 PolarHBondContact O-ND2 3.09Å; G731-N735 PolarHBondContact O-OD1 3.24Å; N735-S738 VanDerWaalsContact O-CB 3.27Å; N735-S738 WeakPolarHBondContact O-CB 3.06Å; N735-S738 PolarHBondContact O-N 3.33Å; N735-Y739 WeakPolarHBondContact O-CD2 3.46Å; N735-Y739 PolarHBondContact O-N 2.92Å; N735-E810 HydrophobicContact CB-CB 4.39Å; N735-E810 HydrophobicContact CB-CG 3.75Å
736T90.3Very high91.1Very high8 Ų842.9 Ų42.95%0.04924%0.239CC..Hα-helixtrans-63.7-44.2175-51.40000111.6V546 M549 F584 C732 I733 S734 S738 Y739V546-T736 HydrophobicContact CG2-CG2 3.96Å; M549-T736 HydrophobicContact CE-CG2 4.29Å; M549-T736 WeakPolarHBondContact CE-OG1 3.43Å; F584-T736 HydrophobicContact CD1-CG2 3.64Å; F584-T736 HydrophobicContact CE1-CG2 3.8Å; F584-T736 HydrophobicContact CG-CG2 4.29Å; C732-T736 WeakPolarHBondContact O-CB 3.34Å; C732-T736 PolarHBondContact O-N 3.45Å; C732-T736 VanDerWaalsContact O-N 3.11Å; C732-T736 PolarHBondContact O-OG1 3.3Å; I733-T736 PolarHBondContact O-N 3.39Å; S734-T736 PolarHBondContact O-N 3.43Å; T736-S738 VanDerWaalsContact C-N 3.27Å; T736-S738 PolarHBondContact O-N 3.36Å; T736-Y739 PolarHBondContact O-N 2.97Å
737A90.2Very high91.1Very high56 Ų5640.6 Ų40.646%0.46323%0.228SC..Hα-helixtrans-64.3-34.5176.800000112.2I733 S734 Y739 L740I733-A737 PolarHBondContact O-N 2.85Å; S734-A737 PolarHBondContact O-N 3.49Å; A737-Y739 PolarHBondContact O-N 2.89Å; A737-L740 WeakPolarHBondContact O-CB 2.98Å; A737-L740 VanDerWaalsContact O-CG 3.25Å; A737-L740 WeakPolarHBondContact O-CG 3.4Å; A737-L740 PolarHBondContact O-N 3.12Å
738S92.2Very high91.2Very high13 Ų1336.8 Ų36.89%0.09122%0.217CC..Hα-helixtrans-58.9-31178.2-169.70000113S734 N735 T736 L740 R741 E810S734-S738 WeakPolarHBondContact O-CB 3.45Å; S734-S738 PolarHBondContact O-N 3.42Å; N735-S738 VanDerWaalsContact O-CB 3.27Å; N735-S738 WeakPolarHBondContact O-CB 3.06Å; N735-S738 PolarHBondContact O-N 3.33Å; T736-S738 VanDerWaalsContact C-N 3.27Å; T736-S738 PolarHBondContact O-N 3.36Å; S738-L740 PolarHBondContact O-N 3.35Å; S738-L740 VanDerWaalsContact O-N 3.16Å; S738-R741 WeakPolarHBondContact O-CB 3.47Å; S738-R741 VanDerWaalsContact O-CG 3.24Å; S738-R741 WeakPolarHBondContact O-CG 3.48Å; S738-R741 PolarHBondContact O-N 2.97Å; S738-R741 VanDerWaalsContact O-N 3.14Å; S738-R741 PolarHBondContact OG-NH1 3.07Å; S738-R741 PolarHBondContact OG-NH2 3.33Å; S738-E810 VanDerWaalsContact CB-OE1 3.25Å; S738-E810 WeakPolarHBondContact CB-OE1 3.12Å; S738-E810 PolarHBondContact OG-OE1 3.38Å
739Y93.9Very high91.4Very high0 Ų036.4 Ų36.40%022%0.216CC..THydrogen-bonded Turntrans-65.3-14.3174.9-78.9-78000114.1L402 G545 H548 M549 N735 T736 A737 R741 L742 L806 E810L402-Y739 HydrophobicContact CD1-CE1 4.45Å; G545-Y739 VanDerWaalsContact CA-CD1 3.46Å; G545-Y739 VanDerWaalsContact CA-CD2 3.47Å; H548-Y739 AromaticContact ND1-CE1 3.99Å; H548-Y739 AromaticContact ND1-CZ 3.8Å; H548-Y739 PolarHBondContact ND1-OH 3Å; M549-Y739 HydrophobicContact CE-CD2 4.06Å; M549-Y739 HydrophobicContact CE-CE2 3.91Å; M549-Y739 HydrophobicContact CG-CE2 3.63Å; M549-Y739 HydrophobicContact SD-CD2 4.32Å; M549-Y739 HydrophobicContact SD-CE2 3.72Å; N735-Y739 WeakPolarHBondContact O-CD2 3.46Å; N735-Y739 PolarHBondContact O-N 2.92Å; T736-Y739 PolarHBondContact O-N 2.97Å; A737-Y739 PolarHBondContact O-N 2.89Å; Y739-R741 PolarHBondContact O-N 3.24Å; Y739-L742 HydrophobicContact CD1-CD1 3.76Å; Y739-L742 HydrophobicContact CD1-CG 4.49Å; Y739-L742 WeakPolarHBondContact O-CB 3.42Å; Y739-L742 PolarHBondContact O-N 3.44Å; Y739-L806 HydrophobicContact CD1-CD1 3.96Å; Y739-L806 HydrophobicContact CD1-CD2 3.84Å; Y739-L806 HydrophobicContact CD1-CG 4.45Å; Y739-L806 HydrophobicContact CE1-CB 4.24Å; Y739-L806 HydrophobicContact CE1-CD1 3.97Å; Y739-L806 HydrophobicContact CE1-CD2 3.78Å; Y739-L806 HydrophobicContact CE1-CG 4.21Å; Y739-L806 HydrophobicContact CG-CD2 4.28Å; Y739-E810 HydrophobicContact CE2-CB 3.91Å; Y739-E810 HydrophobicContact CE2-CG 4.14Å; Y739-E810 WeakPolarHBondContact OH-CB 3.26Å
740L92.6Very high91.5Very high61 Ų6136.2 Ų36.232%0.31922%0.215SC..Hα-helixtrans-58.9-19.5171.1-67.5175000112.7M538 V542 A737 S738 L742 W743 A744M538-L740 HydrophobicContact CG-CD2 3.89Å; V542-L740 HydrophobicContact CG2-CD2 4.08Å; A737-L740 WeakPolarHBondContact O-CB 2.98Å; A737-L740 VanDerWaalsContact O-CG 3.25Å; A737-L740 WeakPolarHBondContact O-CG 3.4Å; A737-L740 PolarHBondContact O-N 3.12Å; S738-L740 PolarHBondContact O-N 3.35Å; S738-L740 VanDerWaalsContact O-N 3.16Å; L740-L742 VanDerWaalsContact C-N 3.26Å; L740-L742 PolarHBondContact O-N 3.04Å; L740-W743 HydrophobicContact CB-CE3 4.33Å; L740-W743 HydrophobicContact CD2-CE3 4.23Å; L740-W743 WeakPolarHBondContact O-CB 3.37Å; L740-W743 PolarHBondContact O-N 3.48Å; L740-W743 VanDerWaalsContact O-N 3.1Å; L740-A744 PolarHBondContact O-N 3.48Å
741R93.8Very high91.6Very high64 Ų6433.3 Ų33.324%0.24220%0.199CC..Hα-helixtrans-55.8-38.2171.1-69.3178.4-163.8135.310.7113M406 S738 Y739 W743 A744 L745 E810M406-R741 HydrophobicContact CE-CB 4.28Å; S738-R741 WeakPolarHBondContact O-CB 3.47Å; S738-R741 VanDerWaalsContact O-CG 3.24Å; S738-R741 WeakPolarHBondContact O-CG 3.48Å; S738-R741 PolarHBondContact O-N 2.97Å; S738-R741 VanDerWaalsContact O-N 3.14Å; S738-R741 PolarHBondContact OG-NH1 3.07Å; S738-R741 PolarHBondContact OG-NH2 3.33Å; Y739-R741 PolarHBondContact O-N 3.24Å; R741-W743 PolarHBondContact O-N 3.43Å; R741-A744 PolarHBondContact O-N 2.93Å; R741-L745 HydrophobicContact CB-CD1 4.4Å; R741-L745 WeakPolarHBondContact O-CB 3.49Å; R741-L745 PolarHBondContact O-N 3.18Å; R741-E810 IonicContact NH1-OE1 2.67Å
742L93.1Very high91.7Very high1 Ų135.6 Ų35.61%0.00521%0.207CC..Hα-helixtrans-54.4-43.7176.6-68.4166.6000110.6L402 V405 M406 L544 Y739 L740 S746 L806L402-L742 HydrophobicContact CB-CD2 4.15Å; L402-L742 HydrophobicContact CD2-CD1 4.22Å; L402-L742 HydrophobicContact CD2-CD2 4.07Å; V405-L742 HydrophobicContact CB-CD2 4.41Å; V405-L742 HydrophobicContact CG1-CB 4.15Å; V405-L742 HydrophobicContact CG1-CD2 4.18Å; M406-L742 HydrophobicContact CE-CD2 3.64Å; M406-L742 HydrophobicContact CE-CG 4.08Å; M406-L742 HydrophobicContact CG-CD2 3.91Å; M406-L742 HydrophobicContact SD-CD2 4.25Å; L544-L742 HydrophobicContact CB-CD1 4.48Å; Y739-L742 HydrophobicContact CD1-CD1 3.76Å; Y739-L742 HydrophobicContact CD1-CG 4.49Å; Y739-L742 WeakPolarHBondContact O-CB 3.42Å; Y739-L742 PolarHBondContact O-N 3.44Å; L740-L742 VanDerWaalsContact C-N 3.26Å; L740-L742 PolarHBondContact O-N 3.04Å; L742-S746 WeakPolarHBondContact O-CB 3.24Å; L742-S746 PolarHBondContact O-N 2.76Å; L742-L806 HydrophobicContact CD2-CD1 3.93Å; L742-L806 HydrophobicContact CG-CD1 4Å
743W94.2Very high91.9Very high58 Ų5835.9 Ų35.922%0.2221%0.209CC..Hα-helixtrans-71.6-49.5177.2157.154.5000112.1N534 K537 M538 L740 R741 L745 S746 L747N534-W743 WeakPolarHBondContact OD1-CZ2 3.37Å; N534-W743 PolarHBondContact OD1-NE1 3.46Å; N534-W743 VanDerWaalsContact OD1-NE1 3.11Å; K537-W743 HydrophobicContact CB-CB 4.43Å; K537-W743 VanDerWaalsContact CB-CD1 3.44Å; K537-W743 HydrophobicContact CB-CG 4.24Å; M538-W743 HydrophobicContact CB-CD2 4.05Å; M538-W743 HydrophobicContact CB-CE3 4.42Å; M538-W743 HydrophobicContact CB-CG 4.2Å; M538-W743 HydrophobicContact CG-CD2 4.4Å; M538-W743 HydrophobicContact CG-CE3 4.26Å; L740-W743 HydrophobicContact CB-CE3 4.33Å; L740-W743 HydrophobicContact CD2-CE3 4.23Å; L740-W743 WeakPolarHBondContact O-CB 3.37Å; L740-W743 PolarHBondContact O-N 3.48Å; L740-W743 VanDerWaalsContact O-N 3.1Å; R741-W743 PolarHBondContact O-N 3.43Å; W743-L745 PolarHBondContact O-N 3.25Å; W743-S746 PolarHBondContact O-N 3.11Å; W743-L747 HydrophobicContact CZ2-CD1 4.41Å; W743-L747 WeakPolarHBondContact O-CB 3.29Å; W743-L747 PolarHBondContact O-N 2.97Å
744A92.8Very high91.9Very high49 Ų4934.7 Ų34.741%0.40520%0.202SC..Hα-helixtrans-58.9-47.1-175.200000112.4L740 R741 L747 A748L740-A744 PolarHBondContact O-N 3.48Å; R741-A744 PolarHBondContact O-N 2.93Å; A744-L747 PolarHBondContact O-N 3.28Å; A744-A748 WeakPolarHBondContact O-CB 3.41Å; A744-A748 PolarHBondContact O-N 2.84Å
745L93.4Very high91.8Very high24 Ų2434.8 Ų34.813%0.12620%0.199CC..Hα-helixtrans-67.7-41178.1-72.1155000111.6M406 R741 W743 L747 A748 H749 H802M406-L745 HydrophobicContact CB-CB 4.18Å; M406-L745 HydrophobicContact CE-CD1 3.86Å; M406-L745 HydrophobicContact CG-CB 4.16Å; M406-L745 HydrophobicContact CG-CD1 4.21Å; M406-L745 HydrophobicContact SD-CD1 3.81Å; R741-L745 HydrophobicContact CB-CD1 4.4Å; R741-L745 WeakPolarHBondContact O-CB 3.49Å; R741-L745 PolarHBondContact O-N 3.18Å; W743-L745 PolarHBondContact O-N 3.25Å; L745-L747 VanDerWaalsContact C-N 3.27Å; L745-L747 PolarHBondContact O-N 3.25Å; L745-A748 PolarHBondContact O-N 3.3Å; L745-H749 WeakPolarHBondContact O-CB 3.43Å; L745-H749 PolarHBondContact O-N 3.29Å; L745-H802 HydrophobicContact CD1-CB 3.74Å; L745-H802 VanDerWaalsContact CD1-CD2 3.46Å; L745-H802 WeakPolarHBondContact CD1-CD2 3.26Å
746S92.8Very high91.8Very high2 Ų235 Ų351%0.01420%0.2CC..Hα-helixtrans-63.8-32176-170.20000113.4V405 M406 Y464 K537 L742 W743 A750V405-S746 WeakPolarHBondContact O-CB 3.37Å; V405-S746 PolarHBondContact O-OG 3.3Å; V405-S746 VanDerWaalsContact O-OG 3.08Å; M406-S746 WeakPolarHBondContact O-CA 3.4Å; Y464-S746 WeakPolarHBondContact CE2-OG 3.42Å; K537-S746 PolarHBondContact NZ-O 3.43Å; K537-S746 VanDerWaalsContact NZ-O 3.12Å; K537-S746 PolarHBondContact NZ-OG 3.22Å; L742-S746 WeakPolarHBondContact O-CB 3.24Å; L742-S746 PolarHBondContact O-N 2.76Å; W743-S746 PolarHBondContact O-N 3.11Å; S746-A750 WeakPolarHBondContact O-CB 3.41Å; S746-A750 PolarHBondContact O-N 3.39Å
747L91.2Very high91.8Very high48 Ų4837.7 Ų37.725%0.25121%0.209SC..Hα-helixtrans-75.2-45.8174.5-170.3151.1000110.8N534 W743 A744 L745 H749 A750 Q751N534-L747 HydrophobicContact CB-CD1 4.46Å; W743-L747 HydrophobicContact CZ2-CD1 4.41Å; W743-L747 WeakPolarHBondContact O-CB 3.29Å; W743-L747 PolarHBondContact O-N 2.97Å; A744-L747 PolarHBondContact O-N 3.28Å; L745-L747 VanDerWaalsContact C-N 3.27Å; L745-L747 PolarHBondContact O-N 3.25Å; L747-H749 PolarHBondContact O-N 2.91Å; L747-A750 PolarHBondContact O-N 3.21Å; L747-Q751 HydrophobicContact CD2-CG 3.93Å; L747-Q751 WeakPolarHBondContact O-CG 3.33Å; L747-Q751 PolarHBondContact O-N 2.86Å
748A92.6Very high91.7Very high42 Ų4237.4 Ų37.435%0.34720%0.204SC..Hα-helixtrans-58.4-47.4177.300000111.6A744 L745 A750 Q751 L752A744-A748 WeakPolarHBondContact O-CB 3.41Å; A744-A748 PolarHBondContact O-N 2.84Å; L745-A748 PolarHBondContact O-N 3.3Å; A748-A750 PolarHBondContact O-N 3.06Å; A748-Q751 PolarHBondContact O-N 3.06Å; A748-L752 WeakPolarHBondContact O-CB 3.35Å; A748-L752 PolarHBondContact O-N 3.15Å
749H91.2Very high91.4Very high4 Ų443.5 Ų43.52%0.01923%0.233CC..Hα-helixtrans-59.2-45.9177.7-176.971.4000112.5F407 H412 L745 L747 Q751 S753F407-H749 AromaticContact CD2-CE1 3.68Å; F407-H749 AromaticContact CD2-ND1 3.78Å; F407-H749 AromaticContact CE2-CE1 3.14Å; F407-H749 WeakPolarHBondContact CE2-CE1 3.28Å; F407-H749 AromaticContact CE2-ND1 3.52Å; F407-H749 AromaticContact CE2-NE2 3.83Å; F407-H749 AromaticContact CZ-CE1 3.62Å; H412-H749 AromaticContact CE1-CE1 3.9Å; H412-H749 AromaticContact CE1-NE2 3.93Å; H412-H749 AromaticContact ND1-CE1 3.38Å; H412-H749 PolarHBondContact ND1-CE1 3.25Å; H412-H749 AromaticContact ND1-NE2 3.22Å; H412-H749 PolarHBondContact ND1-NE2 3.43Å; L745-H749 WeakPolarHBondContact O-CB 3.43Å; L745-H749 PolarHBondContact O-N 3.29Å; L747-H749 PolarHBondContact O-N 2.91Å; H749-Q751 PolarHBondContact O-N 3.24Å; H749-S753 WeakPolarHBondContact O-CB 3.49Å; H749-S753 PolarHBondContact O-N 3.43Å; H749-S753 PolarHBondContact O-OG 2.86Å
750A90Very high91Very high14 Ų1444.7 Ų44.712%0.11624%0.239CC..Hα-helixtrans-63.8-40.517800000112.1S746 L747 A748 E754S746-A750 WeakPolarHBondContact O-CB 3.41Å; S746-A750 PolarHBondContact O-N 3.39Å; L747-A750 PolarHBondContact O-N 3.21Å; A748-A750 PolarHBondContact O-N 3.06Å; A750-E754 WeakPolarHBondContact O-CB 3.42Å; A750-E754 PolarHBondContact O-N 3.48Å
751Q90.9Very high90.6Very high55 Ų5542.4 Ų42.426%0.25723%0.228SC..Hα-helixtrans-70.8-42.2178.4-70.7-55.8-68.900112.8L530 L747 A748 H749 S753 E754 V755L530-Q751 HydrophobicContact CD2-CG 4.43Å; L747-Q751 HydrophobicContact CD2-CG 3.93Å; L747-Q751 WeakPolarHBondContact O-CG 3.33Å; L747-Q751 PolarHBondContact O-N 2.86Å; A748-Q751 PolarHBondContact O-N 3.06Å; H749-Q751 PolarHBondContact O-N 3.24Å; Q751-S753 VanDerWaalsContact C-N 3.29Å; Q751-S753 PolarHBondContact O-N 3.17Å; Q751-E754 PolarHBondContact NE2-OE2 2.98Å; Q751-E754 PolarHBondContact O-N 2.89Å; Q751-V755 WeakPolarHBondContact O-CG2 3.35Å; Q751-V755 PolarHBondContact O-N 3.38Å
752L91.1Very high90.1Very high63 Ų6348.4 Ų48.433%0.3325%0.25SS..Hα-helixtrans-64.5-38.6178.4-159.6144.8000110.9A748 V755 L756 I790 L791A748-L752 WeakPolarHBondContact O-CB 3.35Å; A748-L752 PolarHBondContact O-N 3.15Å; L752-V755 PolarHBondContact O-N 3.08Å; L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 PolarHBondContact O-N 3.45Å; L752-I790 HydrophobicContact CD2-CG2 4.08Å; L752-L791 HydrophobicContact CB-CD2 4.18Å; L752-L791 HydrophobicContact CD2-CD1 4.32Å; L752-L791 HydrophobicContact CD2-CD2 3.35Å; L752-L791 HydrophobicContact CD2-CG 3.68Å; L752-L791 HydrophobicContact CG-CD2 4.34Å
753S90.1Very high89.5Confident6 Ų654.1 Ų54.14%0.04228%0.28CS..Hα-helixtrans-63.1-42.1173-57.50000112.3H749 Q751 L756 W757 L791H749-S753 WeakPolarHBondContact O-CB 3.49Å; H749-S753 PolarHBondContact O-N 3.43Å; H749-S753 PolarHBondContact O-OG 2.86Å; Q751-S753 VanDerWaalsContact C-N 3.29Å; Q751-S753 PolarHBondContact O-N 3.17Å; S753-L756 PolarHBondContact O-N 3.21Å; S753-W757 WeakPolarHBondContact O-CB 3.49Å; S753-W757 PolarHBondContact O-N 3.11Å; S753-L791 WeakPolarHBondContact OG-CD2 3.19Å
754E89.9Confident88.6Confident65 Ų6551.5 Ų51.530%0.30427%0.271SS..Hα-helixtrans-66.8-40.1177.6-174167.4179.900112.6K529 A750 Q751 S758K529-E754 IonicContact NZ-OE2 3.95Å; K529-E754 PolarHBondContact NZ-OE2 3.41Å; A750-E754 WeakPolarHBondContact O-CB 3.42Å; A750-E754 PolarHBondContact O-N 3.48Å; Q751-E754 PolarHBondContact NE2-OE2 2.98Å; Q751-E754 PolarHBondContact O-N 2.89Å; E754-S758 VanDerWaalsContact O-CB 3.3Å; E754-S758 WeakPolarHBondContact O-CB 2.86Å; E754-S758 PolarHBondContact O-N 3.43Å; E754-S758 PolarHBondContact O-OG 3.31Å
755V91.3Very high88Confident80 Ų8054.8 Ų54.849%0.48528%0.281SS..Hα-helixtrans-65.6-45.5174.7172.20000110.7Q751 L752 W757 S758 M759Q751-V755 WeakPolarHBondContact O-CG2 3.35Å; Q751-V755 PolarHBondContact O-N 3.38Å; L752-V755 PolarHBondContact O-N 3.08Å; V755-W757 VanDerWaalsContact C-N 3.33Å; V755-W757 PolarHBondContact O-N 3.27Å; V755-S758 WeakPolarHBondContact CA-OG 3.31Å; V755-S758 PolarHBondContact O-N 2.96Å; V755-S758 PolarHBondContact O-OG 2.78Å; V755-M759 HydrophobicContact CG1-CG 4.16Å; V755-M759 WeakPolarHBondContact O-CB 3.39Å; V755-M759 WeakPolarHBondContact O-CG 3.41Å; V755-M759 PolarHBondContact O-N 3.43Å
756L90.3Very high87.2Confident22 Ų2258.8 Ų58.812%0.11531%0.311CS..Hα-helixtrans-61.3-43.2178.9-168.871.4000111.2L752 S753 V760 F783 L786 S787 L791L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 PolarHBondContact O-N 3.45Å; S753-L756 PolarHBondContact O-N 3.21Å; L756-V760 HydrophobicContact CD1-CG2 4.08Å; L756-V760 VanDerWaalsContact O-CB 3.3Å; L756-V760 WeakPolarHBondContact O-CB 3.42Å; L756-V760 PolarHBondContact O-N 3.48Å; L756-V760 VanDerWaalsContact O-N 3.11Å; L756-F783 HydrophobicContact CB-CE2 4.42Å; L756-F783 HydrophobicContact CD2-CD2 3.95Å; L756-F783 HydrophobicContact CD2-CE2 3.69Å; L756-F783 HydrophobicContact CG-CD2 3.83Å; L756-F783 HydrophobicContact CG-CE2 3.73Å; L756-L786 HydrophobicContact CD1-CB 4.09Å; L756-L786 HydrophobicContact CD1-CD1 3.89Å; L756-L786 HydrophobicContact CD2-CB 4.48Å; L756-S787 VanDerWaalsContact CD2-OG 3.29Å; L756-S787 WeakPolarHBondContact CD2-OG 3.45Å; L756-L791 HydrophobicContact CD2-CD1 3.48Å; L756-L791 VanDerWaalsContact CD2-CD1 3.48Å
757W89.8Confident86.3Confident65 Ų6561.1 Ų61.125%0.24633%0.327CS..Iπ-helixtrans-64.3-48.3175.8-176-81.8000112.4F468 S469 K470 S753 V755 M761 R762 F783F468-W757 HydrophobicContact CB-CE3 4.39Å; F468-W757 HydrophobicContact CB-CZ3 4.4Å; S469-W757 VanDerWaalsContact OG-CB 3.31Å; S469-W757 WeakPolarHBondContact OG-CB 3.45Å; K470-W757 VanDerWaalsContact CE-CD1 3.5Å; K470-W757 HydrophobicContact CG-CZ2 4.47Å; S753-W757 WeakPolarHBondContact O-CB 3.49Å; S753-W757 PolarHBondContact O-N 3.11Å; V755-W757 VanDerWaalsContact C-N 3.33Å; V755-W757 PolarHBondContact O-N 3.27Å; W757-M761 HydrophobicContact CD2-CB 4.07Å; W757-M761 HydrophobicContact CD2-CG 4.38Å; W757-M761 HydrophobicContact CE3-CB 4.27Å; W757-M761 HydrophobicContact CE3-CG 4.08Å; W757-M761 HydrophobicContact CG-CB 4.43Å; W757-M761 HydrophobicContact CZ3-CG 4.27Å; W757-M761 WeakPolarHBondContact O-CB 3.33Å; W757-M761 PolarHBondContact O-N 3.39Å; W757-M761 VanDerWaalsContact O-N 3.08Å; W757-R762 PolarHBondContact O-N 3.16Å; W757-F783 HydrophobicContact CE3-CZ 4.11Å
758S88.5Confident85.5Confident49 Ų4970.6 Ų70.634%0.34336%0.359SS..Iπ-helixtrans-71.7-32.9-174.359.10000113.8E754 V755 R762E754-S758 VanDerWaalsContact O-CB 3.3Å; E754-S758 WeakPolarHBondContact O-CB 2.86Å; E754-S758 PolarHBondContact O-N 3.43Å; E754-S758 PolarHBondContact O-OG 3.31Å; V755-S758 WeakPolarHBondContact CA-OG 3.31Å; V755-S758 PolarHBondContact O-N 2.96Å; V755-S758 PolarHBondContact O-OG 2.78Å; S758-R762 WeakPolarHBondContact O-CB 3.36Å
759M86.2Confident85Confident142 Ų14274.4 Ų74.470%0.737%0.374SS*.Iπ-helixtrans-84.5-38.6179.6-69.9-66.7178.400112.8V755V755-M759 HydrophobicContact CG1-CG 4.16Å; V755-M759 WeakPolarHBondContact O-CB 3.39Å; V755-M759 WeakPolarHBondContact O-CG 3.41Å; V755-M759 PolarHBondContact O-N 3.43Å
760V86.1Confident84.3Confident24 Ų2482.7 Ų82.715%0.14541%0.411CS..Iπ-helixtrans-96.9-59.8-173.7-174.50000111.3L756 R762 L763 I779 F782 F783L756-V760 HydrophobicContact CD1-CG2 4.08Å; L756-V760 VanDerWaalsContact O-CB 3.3Å; L756-V760 WeakPolarHBondContact O-CB 3.42Å; L756-V760 PolarHBondContact O-N 3.48Å; L756-V760 VanDerWaalsContact O-N 3.11Å; V760-R762 PolarHBondContact O-N 3.46Å; V760-L763 PolarHBondContact O-N 3.15Å; V760-I779 HydrophobicContact CG1-CG2 3.68Å; V760-I779 WeakPolarHBondContact O-CG2 3.41Å; V760-F782 HydrophobicContact CG1-CD1 4.22Å; V760-F783 HydrophobicContact CB-CD2 4.4Å; V760-F783 HydrophobicContact CG1-CB 3.96Å; V760-F783 HydrophobicContact CG1-CD2 4.49Å
761M84Confident83.7Confident14 Ų1484.5 Ų84.57%0.06943%0.43CS..Iπ-helixtrans-70.1-33.7-172.7-74.5-60.3-62.200113.2W757 L763 G764 L765 L776 F780 F783W757-M761 HydrophobicContact CD2-CB 4.07Å; W757-M761 HydrophobicContact CD2-CG 4.38Å; W757-M761 HydrophobicContact CE3-CB 4.27Å; W757-M761 HydrophobicContact CE3-CG 4.08Å; W757-M761 HydrophobicContact CG-CB 4.43Å; W757-M761 HydrophobicContact CZ3-CG 4.27Å; W757-M761 WeakPolarHBondContact O-CB 3.33Å; W757-M761 PolarHBondContact O-N 3.39Å; W757-M761 VanDerWaalsContact O-N 3.08Å; M761-L763 VanDerWaalsContact C-N 3.3Å; M761-L763 PolarHBondContact O-N 2.95Å; M761-G764 PolarHBondContact O-N 3.14Å; M761-L765 HydrophobicContact CE-CD1 4.45Å; M761-L765 PolarHBondContact O-N 3.34Å; M761-L765 VanDerWaalsContact O-N 3.08Å; M761-L776 HydrophobicContact CE-CD1 4.35Å; M761-F780 HydrophobicContact CE-CD2 4.18Å; M761-F780 HydrophobicContact SD-CD2 4.14Å; M761-F783 HydrophobicContact CG-CB 4.37Å; M761-F783 HydrophobicContact CG-CD1 4.09Å; M761-F783 HydrophobicContact CG-CD2 3.62Å; M761-F783 HydrophobicContact CG-CE1 4.31Å; M761-F783 HydrophobicContact CG-CE2 3.86Å; M761-F783 HydrophobicContact CG-CG 3.75Å; M761-F783 HydrophobicContact CG-CZ 4.2Å; M761-F783 HydrophobicContact SD-CB 3.98Å; M761-F783 HydrophobicContact SD-CD1 4Å; M761-F783 HydrophobicContact SD-CD2 4.32Å; M761-F783 HydrophobicContact SD-CG 3.83Å
762R82.9Confident83.1Confident189 Ų18982 Ų8271%0.71342%0.42SS*.Hα-helixtrans-62.6-36.5177.7-167-179.6-179.3-1790.4112.6W757 S758 V760 G764 L765 S766W757-R762 PolarHBondContact O-N 3.16Å; S758-R762 WeakPolarHBondContact O-CB 3.36Å; V760-R762 PolarHBondContact O-N 3.46Å; R762-G764 VanDerWaalsContact C-N 3.35Å; R762-L765 PolarHBondContact O-N 3.04Å; R762-S766 PolarHBondContact O-N 2.87Å
763L80.7Confident82.6Confident122 Ų12286 Ų8664%0.63943%0.434SS*.Hα-helixtrans-64.2-42.6177.4-17863.2000110.8V760 M761V760-L763 PolarHBondContact O-N 3.15Å; M761-L763 VanDerWaalsContact C-N 3.3Å; M761-L763 PolarHBondContact O-N 2.95Å
764G75.7Confident82.3Confident2 Ų289.3 Ų89.32%0.02146%0.455CS..Hα-helixtrans-66.8-34.8177.500000113.9M761 R762 S766M761-G764 PolarHBondContact O-N 3.14Å; R762-G764 VanDerWaalsContact C-N 3.35Å; G764-S766 VanDerWaalsContact C-N 3.35Å; G764-S766 PolarHBondContact O-N 3.5Å
765L80Confident82.1Confident119 Ų11990.1 Ų90.162%0.62346%0.461SS*.Hα-helixtrans-78.4-12.2-178.2-118.475.8000114.8M761 R762 L776M761-L765 HydrophobicContact CE-CD1 4.45Å; M761-L765 PolarHBondContact O-N 3.34Å; M761-L765 VanDerWaalsContact O-N 3.08Å; R762-L765 PolarHBondContact O-N 3.04Å; L765-L776 HydrophobicContact CD1-CD1 4Å
766S75.8Confident81.8Confident107 Ų10788.8 Ų88.875%0.74845%0.45SS*.THydrogen-bonded Turntrans-75.6-23.1-175-166.90000113.5R762 G764R762-S766 PolarHBondContact O-N 2.87Å; G764-S766 VanDerWaalsContact C-N 3.35Å; G764-S766 PolarHBondContact O-N 3.5Å
767S74.1Confident81.7Confident51 Ų5190.2 Ų90.236%0.35747%0.465SS..  trans-95.2124.2-176.7-1750000112
768R74.6Confident81.6Confident247 Ų24792.5 Ų92.593%0.93248%0.481SS*.  trans-97.95.2-177.6-149.8172.8178.6179.3-1.6114
769N82.8Confident81.7Confident122 Ų12291.3 Ų91.365%0.65247%0.471SS*.SBendtrans-91163.5-174.6-65.8-0.1000112G771 G772 F773N769-G771 VanDerWaalsContact C-N 3.27Å; N769-G771 PolarHBondContact O-N 3.42Å; N769-G772 WeakPolarHBondContact O-CA 3.49Å; N769-G772 PolarHBondContact O-N 3.46Å; N769-F773 PolarHBondContact O-N 3.08Å
770F74.8Confident81.8Confident179 Ų17990 Ų9079%0.78546%0.461SS*.Hα-helixtrans-58.5-37.1174.4-174.1-100000112.6G772 F773F770-G772 PolarHBondContact O-N 3Å; F770-F773 WeakPolarHBondContact O-CB 3.48Å; F770-F773 PolarHBondContact O-N 3.34Å; F770-F773 VanDerWaalsContact O-N 3.07Å
771G77.5Confident82Confident51 Ų5192.5 Ų92.553%0.52648%0.479SS..Hα-helixtrans-63.4-24.8169.600000113.6N769 F773 V774 L775N769-G771 VanDerWaalsContact C-N 3.27Å; N769-G771 PolarHBondContact O-N 3.42Å; G771-F773 VanDerWaalsContact C-N 3.32Å; G771-V774 PolarHBondContact O-N 2.91Å; G771-L775 WeakPolarHBondContact O-CB 3.35Å; G771-L775 PolarHBondContact O-N 3.31Å; G771-L775 VanDerWaalsContact O-N 3.08Å
772G79.5Confident82.3Confident4 Ų497.7 Ų97.74%0.04150%0.501CS..Hα-helixtrans-65.9-30.1171.200000113.1N769 F770 L776N769-G772 WeakPolarHBondContact O-CA 3.49Å; N769-G772 PolarHBondContact O-N 3.46Å; F770-G772 PolarHBondContact O-N 3Å; G772-L776 WeakPolarHBondContact O-CB 3.16Å; G772-L776 PolarHBondContact O-N 2.89Å
773F80.6Confident82.7Confident145 Ų14589.4 Ų89.464%0.63647%0.471SS*.Hα-helixtrans-67.3-45.4175.1177.7-98.6000112.1N769 F770 G771 L776 A777N769-F773 PolarHBondContact O-N 3.08Å; F770-F773 WeakPolarHBondContact O-CB 3.48Å; F770-F773 PolarHBondContact O-N 3.34Å; F770-F773 VanDerWaalsContact O-N 3.07Å; G771-F773 VanDerWaalsContact C-N 3.32Å; F773-L776 PolarHBondContact O-N 3.01Å; F773-A777 PolarHBondContact O-N 3.41Å
774V84.4Confident83.1Confident77 Ų7785.3 Ų85.347%0.46745%0.454SS..Hα-helixtrans-65.1-43.2176.7178.10000110.6G771 L776 A777 I778G771-V774 PolarHBondContact O-N 2.91Å; V774-L776 VanDerWaalsContact C-N 3.33Å; V774-L776 PolarHBondContact O-N 2.92Å; V774-A777 PolarHBondContact O-N 3.19Å; V774-I778 HydrophobicContact CG1-CD1 4.27Å; V774-I778 WeakPolarHBondContact O-CG1 3.26Å; V774-I778 PolarHBondContact O-N 3.18Å; V774-I778 VanDerWaalsContact O-N 3.16Å
775L84.3Confident83.9Confident82 Ų8289.4 Ų89.443%0.42948%0.479SS..Hα-helixtrans-60.6-42.8175-177.463.7000111.7G771 A777 I778 I779G771-L775 WeakPolarHBondContact O-CB 3.35Å; G771-L775 PolarHBondContact O-N 3.31Å; G771-L775 VanDerWaalsContact O-N 3.08Å; L775-A777 PolarHBondContact O-N 3.11Å; L775-I778 PolarHBondContact O-N 3.28Å; L775-I779 HydrophobicContact CD1-CD1 3.92Å; L775-I779 HydrophobicContact CD1-CG1 4.33Å; L775-I779 HydrophobicContact CD2-CD1 4.43Å; L775-I779 HydrophobicContact CG-CD1 3.76Å; L775-I779 HydrophobicContact CG-CG1 4.49Å; L775-I779 WeakPolarHBondContact O-CB 3.49Å; L775-I779 VanDerWaalsContact O-CG1 3.26Å; L775-I779 WeakPolarHBondContact O-CG1 3.3Å; L775-I779 PolarHBondContact O-N 3.42Å
776L86.6Confident84.4Confident52 Ų5285.7 Ų85.727%0.27246%0.459SS..Hα-helixtrans-62.2-41.1176.4-17967.6000111.7M761 L765 G772 F773 V774 I779 F780M761-L776 HydrophobicContact CE-CD1 4.35Å; L765-L776 HydrophobicContact CD1-CD1 4Å; G772-L776 WeakPolarHBondContact O-CB 3.16Å; G772-L776 PolarHBondContact O-N 2.89Å; F773-L776 PolarHBondContact O-N 3.01Å; V774-L776 VanDerWaalsContact C-N 3.33Å; V774-L776 PolarHBondContact O-N 2.92Å; L776-I779 PolarHBondContact O-N 2.82Å; L776-F780 WeakPolarHBondContact O-CB 3.49Å; L776-F780 PolarHBondContact O-N 2.72Å
777A87.1Confident85.2Confident52 Ų5280.9 Ų80.943%0.4343%0.426SS..Hα-helixtrans-63.3-42.4178.400000112.3F773 V774 L775 F780 C781F773-A777 PolarHBondContact O-N 3.41Å; V774-A777 PolarHBondContact O-N 3.19Å; L775-A777 PolarHBondContact O-N 3.11Å; A777-F780 PolarHBondContact O-N 2.92Å; A777-C781 WeakPolarHBondContact O-CB 3.31Å; A777-C781 PolarHBondContact O-N 3.2Å
778I88.4Confident86Confident112 Ų11281.7 Ų81.757%0.57443%0.428SS*.Hα-helixtrans-66.1-47.6176.7-65168.3000110.5V774 L775 F780 C781 F782V774-I778 HydrophobicContact CG1-CD1 4.27Å; V774-I778 WeakPolarHBondContact O-CG1 3.26Å; V774-I778 PolarHBondContact O-N 3.18Å; V774-I778 VanDerWaalsContact O-N 3.16Å; L775-I778 PolarHBondContact O-N 3.28Å; I778-F780 VanDerWaalsContact C-N 3.31Å; I778-F780 PolarHBondContact O-N 3.1Å; I778-C781 WeakPolarHBondContact O-CB 3.49Å; I778-C781 PolarHBondContact O-N 2.84Å; I778-F782 PolarHBondContact O-N 3.45Å
779I89.1Confident86.8Confident24 Ų2472 Ų7212%0.12340%0.401CS..Hα-helixtrans-62.6-39.5178.4-70173.5000110.8V760 L775 L776 F782 F783V760-I779 HydrophobicContact CG1-CG2 3.68Å; V760-I779 WeakPolarHBondContact O-CG2 3.41Å; L775-I779 HydrophobicContact CD1-CD1 3.92Å; L775-I779 HydrophobicContact CD1-CG1 4.33Å; L775-I779 HydrophobicContact CD2-CD1 4.43Å; L775-I779 HydrophobicContact CG-CD1 3.76Å; L775-I779 HydrophobicContact CG-CG1 4.49Å; L775-I779 WeakPolarHBondContact O-CB 3.49Å; L775-I779 VanDerWaalsContact O-CG1 3.26Å; L775-I779 WeakPolarHBondContact O-CG1 3.3Å; L775-I779 PolarHBondContact O-N 3.42Å; L776-I779 PolarHBondContact O-N 2.82Å; I779-F782 PolarHBondContact O-N 3.01Å; I779-F783 WeakPolarHBondContact O-CB 3.31Å; I779-F783 PolarHBondContact O-N 3.07Å
780F90Very high87.2Confident114 Ų11469 Ų6950%0.538%0.384SS..Hα-helixtrans-66.1-40.2176.4-179.1-97.8000112M761 L776 A777 I778 F782 F783 A784M761-F780 HydrophobicContact CE-CD2 4.18Å; M761-F780 HydrophobicContact SD-CD2 4.14Å; L776-F780 WeakPolarHBondContact O-CB 3.49Å; L776-F780 PolarHBondContact O-N 2.72Å; A777-F780 PolarHBondContact O-N 2.92Å; I778-F780 VanDerWaalsContact C-N 3.31Å; I778-F780 PolarHBondContact O-N 3.1Å; F780-F782 VanDerWaalsContact C-N 3.32Å; F780-F782 PolarHBondContact O-N 3.47Å; F780-F783 HydrophobicContact CD2-CD1 4.38Å; F780-F783 HydrophobicContact CE2-CD1 4.41Å; F780-F783 PolarHBondContact O-N 3.28Å; F780-A784 WeakPolarHBondContact O-CB 3.38Å; F780-A784 PolarHBondContact O-N 3.49Å
781C90.2Very high87.9Confident77 Ų7760.5 Ų60.552%0.5235%0.347SS..Hα-helixtrans-59-45.8174.1-174.30000111.1A777 I778 A784 V785A777-C781 WeakPolarHBondContact O-CB 3.31Å; A777-C781 PolarHBondContact O-N 3.2Å; I778-C781 WeakPolarHBondContact O-CB 3.49Å; I778-C781 PolarHBondContact O-N 2.84Å; C781-A784 PolarHBondContact O-N 3.3Å; C781-V785 VanDerWaalsContact O-CG2 3.27Å; C781-V785 WeakPolarHBondContact O-CG2 3.4Å; C781-V785 PolarHBondContact O-N 3.08Å
782F89.7Confident88.6Confident123 Ų12359.8 Ų59.854%0.53933%0.331SS..Hα-helixtrans-63.4-44.3175.7-174.5-106.9000112.3V760 I778 I779 F780 A784 V785 L786V760-F782 HydrophobicContact CG1-CD1 4.22Å; I778-F782 PolarHBondContact O-N 3.45Å; I779-F782 PolarHBondContact O-N 3.01Å; F780-F782 VanDerWaalsContact C-N 3.32Å; F780-F782 PolarHBondContact O-N 3.47Å; F782-A784 VanDerWaalsContact C-N 3.34Å; F782-A784 PolarHBondContact O-N 3.16Å; F782-V785 PolarHBondContact O-N 3.13Å; F782-L786 HydrophobicContact CD1-CD1 3.74Å; F782-L786 HydrophobicContact CD1-CG 4.36Å; F782-L786 HydrophobicContact CE1-CD1 3.2Å; F782-L786 HydrophobicContact CE1-CG 4.05Å; F782-L786 HydrophobicContact CE2-CD1 4.29Å; F782-L786 HydrophobicContact CE2-CG 4.34Å; F782-L786 HydrophobicContact CG-CD1 4.49Å; F782-L786 HydrophobicContact CZ-CD1 3.52Å; F782-L786 HydrophobicContact CZ-CD2 4.31Å; F782-L786 HydrophobicContact CZ-CG 4.03Å; F782-L786 WeakPolarHBondContact O-CB 3.43Å; F782-L786 WeakPolarHBondContact O-CG 3.45Å; F782-L786 PolarHBondContact O-N 3.5Å
783F90.1Very high89.1Confident15 Ų1564.5 Ų64.57%0.06635%0.354CS..Hα-helixtrans-58.4-43.8174173.7-98.7000111.9L756 W757 V760 M761 I779 F780 L786 S787L756-F783 HydrophobicContact CB-CE2 4.42Å; L756-F783 HydrophobicContact CD2-CD2 3.95Å; L756-F783 HydrophobicContact CD2-CE2 3.69Å; L756-F783 HydrophobicContact CG-CD2 3.83Å; L756-F783 HydrophobicContact CG-CE2 3.73Å; W757-F783 HydrophobicContact CE3-CZ 4.11Å; V760-F783 HydrophobicContact CB-CD2 4.4Å; V760-F783 HydrophobicContact CG1-CB 3.96Å; V760-F783 HydrophobicContact CG1-CD2 4.49Å; M761-F783 HydrophobicContact CG-CB 4.37Å; M761-F783 HydrophobicContact CG-CD1 4.09Å; M761-F783 HydrophobicContact CG-CD2 3.62Å; M761-F783 HydrophobicContact CG-CE1 4.31Å; M761-F783 HydrophobicContact CG-CE2 3.86Å; M761-F783 HydrophobicContact CG-CG 3.75Å; M761-F783 HydrophobicContact CG-CZ 4.2Å; M761-F783 HydrophobicContact SD-CB 3.98Å; M761-F783 HydrophobicContact SD-CD1 4Å; M761-F783 HydrophobicContact SD-CD2 4.32Å; M761-F783 HydrophobicContact SD-CG 3.83Å; I779-F783 WeakPolarHBondContact O-CB 3.31Å; I779-F783 PolarHBondContact O-N 3.07Å; F780-F783 HydrophobicContact CD2-CD1 4.38Å; F780-F783 HydrophobicContact CE2-CD1 4.41Å; F780-F783 PolarHBondContact O-N 3.28Å; F783-L786 PolarHBondContact O-N 3.4Å; F783-S787 VanDerWaalsContact O-CB 3.26Å; F783-S787 WeakPolarHBondContact O-CB 3.26Å; F783-S787 PolarHBondContact O-N 3.31Å; F783-S787 PolarHBondContact O-OG 3.43Å
784A90.4Very high89.6Confident36 Ų3663.3 Ų63.330%0.29835%0.352SS..Hα-helixtrans-64.5-45.1179.400000111.7F780 C781 F782 S787 V788F780-A784 WeakPolarHBondContact O-CB 3.38Å; F780-A784 PolarHBondContact O-N 3.49Å; C781-A784 PolarHBondContact O-N 3.3Å; F782-A784 VanDerWaalsContact C-N 3.34Å; F782-A784 PolarHBondContact O-N 3.16Å; A784-S787 PolarHBondContact O-N 3.27Å; A784-V788 WeakPolarHBondContact O-CG2 3.47Å; A784-V788 PolarHBondContact O-N 3.08Å
785V92.3Very high90Very high89 Ų8961.5 Ų61.554%0.53934%0.339SS..Hα-helixtrans-62.9-46.9177.4173.80000111C781 F782 S787 V788 A789C781-V785 VanDerWaalsContact O-CG2 3.27Å; C781-V785 WeakPolarHBondContact O-CG2 3.4Å; C781-V785 PolarHBondContact O-N 3.08Å; F782-V785 PolarHBondContact O-N 3.13Å; V785-S787 VanDerWaalsContact C-N 3.33Å; V785-S787 PolarHBondContact O-N 3.3Å; V785-V788 PolarHBondContact O-N 2.82Å; V785-A789 WeakPolarHBondContact O-CB 3.3Å; V785-A789 PolarHBondContact O-N 3.47Å
786L90.9Very high90.4Very high40 Ų4058 Ų5821%0.20932%0.322CS..Hα-helixtrans-63.5-39.3177.3-72.6-177000112.3L756 F782 F783 I790L756-L786 HydrophobicContact CD1-CB 4.09Å; L756-L786 HydrophobicContact CD1-CD1 3.89Å; L756-L786 HydrophobicContact CD2-CB 4.48Å; F782-L786 HydrophobicContact CD1-CD1 3.74Å; F782-L786 HydrophobicContact CD1-CG 4.36Å; F782-L786 HydrophobicContact CE1-CD1 3.2Å; F782-L786 HydrophobicContact CE1-CG 4.05Å; F782-L786 HydrophobicContact CE2-CD1 4.29Å; F782-L786 HydrophobicContact CE2-CG 4.34Å; F782-L786 HydrophobicContact CG-CD1 4.49Å; F782-L786 HydrophobicContact CZ-CD1 3.52Å; F782-L786 HydrophobicContact CZ-CD2 4.31Å; F782-L786 HydrophobicContact CZ-CG 4.03Å; F782-L786 WeakPolarHBondContact O-CB 3.43Å; F782-L786 WeakPolarHBondContact O-CG 3.45Å; F782-L786 PolarHBondContact O-N 3.5Å; F783-L786 PolarHBondContact O-N 3.4Å; L786-I790 HydrophobicContact CD2-CD1 3.92Å; L786-I790 WeakPolarHBondContact O-CB 3.35Å; L786-I790 PolarHBondContact O-N 3.08Å
787S91.6Very high90.6Very high6 Ų660.4 Ų60.44%0.04234%0.335CS..Iπ-helixtrans-64.5-44.1177.4-58.40000111.3L756 F783 A784 V785 L791 L792L756-S787 VanDerWaalsContact CD2-OG 3.29Å; L756-S787 WeakPolarHBondContact CD2-OG 3.45Å; F783-S787 VanDerWaalsContact O-CB 3.26Å; F783-S787 WeakPolarHBondContact O-CB 3.26Å; F783-S787 PolarHBondContact O-N 3.31Å; F783-S787 PolarHBondContact O-OG 3.43Å; A784-S787 PolarHBondContact O-N 3.27Å; V785-S787 VanDerWaalsContact C-N 3.33Å; V785-S787 PolarHBondContact O-N 3.3Å; S787-L791 CarbonylContact O-C 3.55Å; S787-L791 WeakPolarHBondContact O-CA 3.49Å; S787-L791 VanDerWaalsContact O-CB 3.26Å; S787-L791 WeakPolarHBondContact O-CB 3.47Å; S787-L791 PolarHBondContact O-N 3.02Å; S787-L791 VanDerWaalsContact O-N 3.17Å; S787-L792 PolarHBondContact O-N 3.45Å
788V91.5Very high90.9Very high68 Ų6859.7 Ų59.741%0.41233%0.327SS..Iπ-helixtrans-67.8-48177.9173.50000111.2A784 V785 L792 I793A784-V788 WeakPolarHBondContact O-CG2 3.47Å; A784-V788 PolarHBondContact O-N 3.08Å; V785-V788 PolarHBondContact O-N 2.82Å; V788-L792 WeakPolarHBondContact O-CB 3.45Å; V788-L792 PolarHBondContact O-N 3.14Å; V788-I793 HydrophobicContact CG1-CD1 4.3Å; V788-I793 WeakPolarHBondContact O-CG1 3.48Å; V788-I793 PolarHBondContact O-N 2.79Å
789A91.3Very high91.2Very high44 Ų4454.5 Ų54.536%0.36430%0.3SS..Iπ-helixtrans-70.5-49.1-174.400000113V785 M794V785-A789 WeakPolarHBondContact O-CB 3.3Å; V785-A789 PolarHBondContact O-N 3.47Å; A789-M794 PolarHBondContact O-N 3.27Å
790I91.1Very high91.4Very high58 Ų5855.3 Ų55.330%0.29730%0.303SS..Iπ-helixtrans-88.4-55.3-173.1-56.8179.8000110.5L752 L786 M794 E795L752-I790 HydrophobicContact CD2-CG2 4.08Å; L786-I790 HydrophobicContact CD2-CD1 3.92Å; L786-I790 WeakPolarHBondContact O-CB 3.35Å; L786-I790 PolarHBondContact O-N 3.08Å; I790-M794 HydrophobicContact CB-CE 4.37Å; I790-M794 HydrophobicContact CG1-CE 4.2Å; I790-M794 HydrophobicContact CG2-CE 4.06Å; I790-M794 WeakPolarHBondContact O-CB 3.3Å; I790-M794 PolarHBondContact O-N 3.45Å; I790-E795 PolarHBondContact O-N 3.32Å; I790-E795 VanDerWaalsContact O-N 3.11Å
791L90.3Very high91.6Very high2 Ų254.2 Ų54.21%0.0130%0.302CS..Iπ-helixtrans-75.9-40.8-173.9-73.9162.4000112.3F407 L752 S753 L756 S787 E795F407-L791 WeakPolarHBondContact CE2-O 3.35Å; L752-L791 HydrophobicContact CB-CD2 4.18Å; L752-L791 HydrophobicContact CD2-CD1 4.32Å; L752-L791 HydrophobicContact CD2-CD2 3.35Å; L752-L791 HydrophobicContact CD2-CG 3.68Å; L752-L791 HydrophobicContact CG-CD2 4.34Å; S753-L791 WeakPolarHBondContact OG-CD2 3.19Å; L756-L791 HydrophobicContact CD2-CD1 3.48Å; L756-L791 VanDerWaalsContact CD2-CD1 3.48Å; S787-L791 CarbonylContact O-C 3.55Å; S787-L791 WeakPolarHBondContact O-CA 3.49Å; S787-L791 VanDerWaalsContact O-CB 3.26Å; S787-L791 WeakPolarHBondContact O-CB 3.47Å; S787-L791 PolarHBondContact O-N 3.02Å; S787-L791 VanDerWaalsContact O-N 3.17Å; L791-E795 WeakPolarHBondContact O-CB 3.01Å
792L90.8Very high91.8Very high35 Ų3553.2 Ų53.218%0.18329%0.29CS..Iπ-helixtrans-87.9-48.1-174.4-148.2153.7000112.2L415 M416 S787 V788 G796L415-L792 HydrophobicContact CB-CD1 3.76Å; L415-L792 HydrophobicContact CD1-CD1 4.24Å; M416-L792 HydrophobicContact CB-CD2 4.49Å; S787-L792 PolarHBondContact O-N 3.45Å; V788-L792 WeakPolarHBondContact O-CB 3.45Å; V788-L792 PolarHBondContact O-N 3.14Å; L792-G796 VanDerWaalsContact O-CA 3.32Å; L792-G796 WeakPolarHBondContact O-CA 3.27Å; L792-G796 PolarHBondContact O-N 3.44Å
793I90.9Very high92Very high103 Ų10347.4 Ų47.453%0.52826%0.264SS..Iπ-helixtrans-80.1-58.9-177.3-63.9171.3000111.7V788 L797V788-I793 HydrophobicContact CG1-CD1 4.3Å; V788-I793 WeakPolarHBondContact O-CG1 3.48Å; V788-I793 PolarHBondContact O-N 2.79Å; I793-L797 WeakPolarHBondContact O-CB 3.34Å; I793-L797 PolarHBondContact O-N 3.32Å
794M91.1Very high92.1Very high120 Ų12047.4 Ų47.459%0.59127%0.265SS*.Iπ-helixtrans-69.9-52.6-173.5-66.6-154.2-60.900113A789 I790 L797 S798A789-M794 PolarHBondContact O-N 3.27Å; I790-M794 HydrophobicContact CB-CE 4.37Å; I790-M794 HydrophobicContact CG1-CE 4.2Å; I790-M794 HydrophobicContact CG2-CE 4.06Å; I790-M794 WeakPolarHBondContact O-CB 3.3Å; I790-M794 PolarHBondContact O-N 3.45Å; M794-L797 PolarHBondContact O-N 2.92Å; M794-S798 WeakPolarHBondContact O-CB 3.39Å; M794-S798 PolarHBondContact O-N 3.25Å
795E92.4Very high92.3Very high40 Ų4051.5 Ų51.519%0.18727%0.273CS..Hα-helixtrans-67.3-37.1177.7-77.2-72.316900111.8F407 I790 L791 S798 A799F407-E795 HydrophobicContact CE2-CB 4.45Å; I790-E795 PolarHBondContact O-N 3.32Å; I790-E795 VanDerWaalsContact O-N 3.11Å; L791-E795 WeakPolarHBondContact O-CB 3.01Å; E795-S798 PolarHBondContact O-N 3.33Å; E795-A799 WeakPolarHBondContact O-CB 3.19Å; E795-A799 PolarHBondContact O-N 3.18Å
796G91.9Very high92.3Very high8 Ų847.3 Ų47.38%0.08225%0.247CC..Hα-helixtrans-61.3-43.6173.500000112.6F403 L792 F800F403-G796 WeakPolarHBondContact CE2-O 3.34Å; L792-G796 VanDerWaalsContact O-CA 3.32Å; L792-G796 WeakPolarHBondContact O-CA 3.27Å; L792-G796 PolarHBondContact O-N 3.44Å; G796-F800 VanDerWaalsContact O-CB 3.3Å; G796-F800 WeakPolarHBondContact O-CB 3.28Å; G796-F800 PolarHBondContact O-N 3.42Å
797L92.3Very high92.4Very high103 Ų10345.5 Ų45.554%0.53924%0.238SC..Hα-helixtrans-66.5-40.6175.7-175.366.4000112I793 M794 F800 L801I793-L797 WeakPolarHBondContact O-CB 3.34Å; I793-L797 PolarHBondContact O-N 3.32Å; M794-L797 PolarHBondContact O-N 2.92Å; L797-F800 WeakPolarHBondContact O-CB 3.47Å; L797-F800 PolarHBondContact O-N 3.4Å; L797-L801 HydrophobicContact CG-CD1 4.45Å; L797-L801 WeakPolarHBondContact O-CG 3.22Å; L797-L801 PolarHBondContact O-N 3.2Å
798S93Very high92.4Very high37 Ų3748.2 Ų48.226%0.25925%0.247SC..Hα-helixtrans-59.3-51175.1179.10000111.4M794 E795 F800 L801 H802M794-S798 WeakPolarHBondContact O-CB 3.39Å; M794-S798 PolarHBondContact O-N 3.25Å; E795-S798 PolarHBondContact O-N 3.33Å; S798-F800 VanDerWaalsContact C-N 3.31Å; S798-F800 PolarHBondContact O-N 3.14Å; S798-L801 PolarHBondContact O-N 3.11Å; S798-H802 PolarHBondContact O-CD2 3.39Å; S798-H802 PolarHBondContact O-N 3.02Å
799A93.9Very high92.3Very high2 Ų247.7 Ų47.72%0.01724%0.244CC..Hα-helixtrans-62.3-37.417700000112.1F403 M406 F407 E795 H802 A803F403-A799 HydrophobicContact CD2-CB 3.82Å; F403-A799 HydrophobicContact CE2-CB 3.63Å; M406-A799 HydrophobicContact CB-CB 3.96Å; M406-A799 HydrophobicContact SD-CB 4.4Å; F407-A799 HydrophobicContact CB-CB 4.42Å; E795-A799 WeakPolarHBondContact O-CB 3.19Å; E795-A799 PolarHBondContact O-N 3.18Å; A799-H802 PolarHBondContact O-N 3.37Å; A799-A803 WeakPolarHBondContact O-CB 3.12Å; A799-A803 PolarHBondContact O-N 3.34Å
800F93.8Very high92.3Very high41 Ų4145.7 Ų45.718%0.1823%0.227CC..Hα-helixtrans-59.9-50.6174.6173.9-89.1000111.7I377 F399 F403 I449 M453 G796 L797 S798 H802 A803 L804I377-F800 HydrophobicContact CD1-CZ 4.11Å; F399-F800 AromaticContact CE1-CD2 3.8Å; F399-F800 HydrophobicContact CE1-CD2 3.8Å; F399-F800 AromaticContact CE1-CE2 3.54Å; F399-F800 HydrophobicContact CE1-CE2 3.54Å; F399-F800 HydrophobicContact CE1-CZ 4.43Å; F399-F800 AromaticContact CZ-CD2 3.42Å; F399-F800 HydrophobicContact CZ-CD2 3.42Å; F399-F800 VanDerWaalsContact CZ-CD2 3.42Å; F399-F800 AromaticContact CZ-CE2 3.32Å; F399-F800 HydrophobicContact CZ-CE2 3.32Å; F399-F800 HydrophobicContact CZ-CG 4.13Å; F399-F800 AromaticContact CZ-CZ 3.94Å; F399-F800 HydrophobicContact CZ-CZ 3.94Å; F403-F800 HydrophobicContact CD2-CB 4.37Å; F403-F800 HydrophobicContact CE2-CB 4.38Å; I449-F800 HydrophobicContact CG2-CE2 4.37Å; M453-F800 HydrophobicContact CE-CB 4.24Å; M453-F800 HydrophobicContact CE-CD2 3.72Å; M453-F800 HydrophobicContact CE-CG 4.47Å; M453-F800 HydrophobicContact SD-CD2 3.85Å; M453-F800 HydrophobicContact SD-CE2 4.28Å; G796-F800 VanDerWaalsContact O-CB 3.3Å; G796-F800 WeakPolarHBondContact O-CB 3.28Å; G796-F800 PolarHBondContact O-N 3.42Å; L797-F800 WeakPolarHBondContact O-CB 3.47Å; L797-F800 PolarHBondContact O-N 3.4Å; S798-F800 VanDerWaalsContact C-N 3.31Å; S798-F800 PolarHBondContact O-N 3.14Å; F800-H802 PolarHBondContact O-N 3.22Å; F800-A803 PolarHBondContact O-N 3.45Å; F800-L804 HydrophobicContact CE1-CD1 4.24Å; F800-L804 HydrophobicContact CZ-CD1 4.4Å; F800-L804 WeakPolarHBondContact O-CB 3.38Å; F800-L804 PolarHBondContact O-N 3.27Å
801L93.1Very high92.3Very high92 Ų9243 Ų4348%0.48221%0.213SC..Hα-helixtrans-66.4-36.1179.8-69.3175.8000112.4L797 S798 L804 R805L797-L801 HydrophobicContact CG-CD1 4.45Å; L797-L801 WeakPolarHBondContact O-CG 3.22Å; L797-L801 PolarHBondContact O-N 3.2Å; S798-L801 PolarHBondContact O-N 3.11Å; L801-L804 PolarHBondContact O-N 3.11Å; L801-R805 WeakPolarHBondContact O-CB 3.36Å; L801-R805 PolarHBondContact O-N 3.32Å
802H94.5Very high92.2Very high56 Ų5642.9 Ų42.926%0.25921%0.212SC..Hα-helixtrans-69.4-39.3175.4-78.3-60.5000112.8M406 L745 S798 A799 F800 L804 R805 L806M406-H802 HydrophobicContact CE-CB 3.74Å; M406-H802 HydrophobicContact SD-CB 3.99Å; L745-H802 HydrophobicContact CD1-CB 3.74Å; L745-H802 VanDerWaalsContact CD1-CD2 3.46Å; L745-H802 WeakPolarHBondContact CD1-CD2 3.26Å; S798-H802 PolarHBondContact O-CD2 3.39Å; S798-H802 PolarHBondContact O-N 3.02Å; A799-H802 PolarHBondContact O-N 3.37Å; F800-H802 PolarHBondContact O-N 3.22Å; H802-L804 VanDerWaalsContact C-N 3.28Å; H802-L804 PolarHBondContact O-N 3.41Å; H802-R805 PolarHBondContact O-N 2.78Å; H802-L806 WeakPolarHBondContact O-CG 3.35Å; H802-L806 PolarHBondContact O-N 3.42Å; H802-L806 VanDerWaalsContact O-N 3.14Å
803A93.8Very high92Very high0 Ų044.4 Ų44.40%022%0.223CC..Hα-helixtrans-62.7-38.3172.300000111.4F399 F403 A799 F800 L806 H807F399-A803 HydrophobicContact CD2-CB 4.18Å; F399-A803 HydrophobicContact CE2-CB 3.87Å; F403-A803 HydrophobicContact CB-CB 4.1Å; A799-A803 WeakPolarHBondContact O-CB 3.12Å; A799-A803 PolarHBondContact O-N 3.34Å; F800-A803 PolarHBondContact O-N 3.45Å; A803-L806 PolarHBondContact O-N 2.93Å; A803-H807 PolarHBondContact O-N 2.87Å; A803-H807 PolarHBondContact O-ND1 3.03Å
804L92.8Very high91.7Very high16 Ų1640.4 Ų40.48%0.08420%0.202CC..Hα-helixtrans-67.3-43.9179.1-178.5131.6000111.1I377 F399 F800 L801 H802 L806 H807 W808I377-L804 HydrophobicContact CG2-CD1 3.57Å; I377-L804 HydrophobicContact CG2-CG 4.46Å; F399-L804 HydrophobicContact CE2-CB 3.74Å; F399-L804 HydrophobicContact CZ-CB 4.47Å; F800-L804 HydrophobicContact CE1-CD1 4.24Å; F800-L804 HydrophobicContact CZ-CD1 4.4Å; F800-L804 WeakPolarHBondContact O-CB 3.38Å; F800-L804 PolarHBondContact O-N 3.27Å; L801-L804 PolarHBondContact O-N 3.11Å; H802-L804 VanDerWaalsContact C-N 3.28Å; H802-L804 PolarHBondContact O-N 3.41Å; L804-L806 VanDerWaalsContact C-N 3.31Å; L804-L806 PolarHBondContact O-N 2.79Å; L804-H807 WeakPolarHBondContact O-CB 3.47Å; L804-H807 PolarHBondContact O-N 3.03Å; L804-W808 HydrophobicContact CD1-CH2 4.49Å; L804-W808 HydrophobicContact CD1-CZ2 3.98Å; L804-W808 HydrophobicContact CD2-CD2 3.59Å; L804-W808 HydrophobicContact CD2-CE3 3.45Å; L804-W808 VanDerWaalsContact CD2-CE3 3.45Å; L804-W808 HydrophobicContact CD2-CH2 3.45Å; L804-W808 VanDerWaalsContact CD2-CH2 3.45Å; L804-W808 HydrophobicContact CD2-CZ2 3.53Å; L804-W808 HydrophobicContact CD2-CZ3 3.38Å; L804-W808 HydrophobicContact CG-CD2 4.06Å; L804-W808 HydrophobicContact CG-CE3 4.41Å; L804-W808 HydrophobicContact CG-CH2 4.33Å; L804-W808 HydrophobicContact CG-CZ2 3.92Å; L804-W808 PolarHBondContact O-N 3.2Å
805R94Very high91.5Very high122 Ų12235.3 Ų35.346%0.4618%0.177SC..Hα-helixtrans-56.1-45.1173.4-177.7171.9-179.3159.32.7112.3L801 H802 H807 W808 V809L801-R805 WeakPolarHBondContact O-CB 3.36Å; L801-R805 PolarHBondContact O-N 3.32Å; H802-R805 PolarHBondContact O-N 2.78Å; R805-H807 PolarHBondContact O-N 3.41Å; R805-W808 PolarHBondContact O-N 2.76Å; R805-V809 HydrophobicContact CG-CG2 4.35Å; R805-V809 PolarHBondContact O-N 3.46Å
806L93.4Very high91.2Very high0 Ų034.3 Ų34.30%017%0.171CC..Iπ-helixtrans-59.2-24.8176.6-69.4175.8000113.6L402 M406 Y739 L742 H802 A803 L804 E810 F811L402-L806 HydrophobicContact CD1-CB 4.31Å; L402-L806 HydrophobicContact CD1-CD1 4.31Å; M406-L806 HydrophobicContact CE-CD1 3.73Å; Y739-L806 HydrophobicContact CD1-CD1 3.96Å; Y739-L806 HydrophobicContact CD1-CD2 3.84Å; Y739-L806 HydrophobicContact CD1-CG 4.45Å; Y739-L806 HydrophobicContact CE1-CB 4.24Å; Y739-L806 HydrophobicContact CE1-CD1 3.97Å; Y739-L806 HydrophobicContact CE1-CD2 3.78Å; Y739-L806 HydrophobicContact CE1-CG 4.21Å; Y739-L806 HydrophobicContact CG-CD2 4.28Å; L742-L806 HydrophobicContact CD2-CD1 3.93Å; L742-L806 HydrophobicContact CG-CD1 4Å; H802-L806 WeakPolarHBondContact O-CG 3.35Å; H802-L806 PolarHBondContact O-N 3.42Å; H802-L806 VanDerWaalsContact O-N 3.14Å; A803-L806 PolarHBondContact O-N 2.93Å; L804-L806 VanDerWaalsContact C-N 3.31Å; L804-L806 PolarHBondContact O-N 2.79Å; L806-E810 WeakPolarHBondContact CA-OE2 3.17Å; L806-E810 HydrophobicContact CD2-CG 4.3Å; L806-E810 WeakPolarHBondContact O-CB 3.41Å; L806-F811 PolarHBondContact O-N 3.15Å
807H92.4Very high90.5Very high3 Ų336.9 Ų36.91%0.01419%0.191CC..Iπ-helixtrans-85.5-44.8175.1-73.275.1000111.7T398 F399 H548 A803 L804 R805 F811 Q812T398-H807 PolarHBondContact OG1-NE2 2.78Å; F399-H807 WeakPolarHBondContact CA-CE1 3.41Å; F399-H807 AromaticContact CD2-ND1 3.87Å; F399-H807 PolarHBondContact N-NE2 3.45Å; H548-H807 AromaticContact NE2-NE2 3.95Å; A803-H807 PolarHBondContact O-N 2.87Å; A803-H807 PolarHBondContact O-ND1 3.03Å; L804-H807 WeakPolarHBondContact O-CB 3.47Å; L804-H807 PolarHBondContact O-N 3.03Å; R805-H807 PolarHBondContact O-N 3.41Å; H807-F811 WeakPolarHBondContact O-CB 3.47Å; H807-F811 PolarHBondContact O-N 3.21Å; H807-Q812 WeakPolarHBondContact O-CB 3.14Å; H807-Q812 VanDerWaalsContact O-CG 3.32Å; H807-Q812 WeakPolarHBondContact O-CG 3.43Å; H807-Q812 PolarHBondContact O-N 3.15Å
808W91.8Very high89.9Confident63 Ų6333 Ų3324%0.23918%0.177CC..Iπ-helixtrans-68.5-48.9-177.9-68.2-11.5000112.9I377 A380 Y381 L804 R805I377-W808 WeakPolarHBondContact O-CZ2 3.46Å; I377-W808 PolarHBondContact O-NE1 3.45Å; A380-W808 HydrophobicContact CB-CH2 4.48Å; A380-W808 HydrophobicContact CB-CZ2 4.14Å; Y381-W808 HydrophobicContact CD2-CB 3.65Å; Y381-W808 AromaticContact CD2-CD2 3.82Å; Y381-W808 HydrophobicContact CD2-CD2 3.82Å; Y381-W808 AromaticContact CD2-CE3 3.99Å; Y381-W808 HydrophobicContact CD2-CE3 3.99Å; Y381-W808 AromaticContact CD2-CG 3.71Å; Y381-W808 HydrophobicContact CD2-CG 3.71Å; Y381-W808 HydrophobicContact CE2-CB 3.87Å; Y381-W808 HydrophobicContact CE2-CG 4.43Å; Y381-W808 HydrophobicContact CG-CB 4.03Å; Y381-W808 HydrophobicContact CG-CD2 4.16Å; Y381-W808 AromaticContact CG-CG 3.85Å; Y381-W808 HydrophobicContact CG-CG 3.85Å; L804-W808 HydrophobicContact CD1-CH2 4.49Å; L804-W808 HydrophobicContact CD1-CZ2 3.98Å; L804-W808 HydrophobicContact CD2-CD2 3.59Å; L804-W808 HydrophobicContact CD2-CE3 3.45Å; L804-W808 VanDerWaalsContact CD2-CE3 3.45Å; L804-W808 HydrophobicContact CD2-CH2 3.45Å; L804-W808 VanDerWaalsContact CD2-CH2 3.45Å; L804-W808 HydrophobicContact CD2-CZ2 3.53Å; L804-W808 HydrophobicContact CD2-CZ3 3.38Å; L804-W808 HydrophobicContact CG-CD2 4.06Å; L804-W808 HydrophobicContact CG-CE3 4.41Å; L804-W808 HydrophobicContact CG-CH2 4.33Å; L804-W808 HydrophobicContact CG-CZ2 3.92Å; L804-W808 PolarHBondContact O-N 3.2Å; R805-W808 PolarHBondContact O-N 2.76Å
809V90.6Very high89.5Confident56 Ų5639.1 Ų39.134%0.33920%0.201SC..Iπ-helixtrans-91.5-44.2-172.1-179.50000111.7R805 T813R805-V809 HydrophobicContact CG-CG2 4.35Å; R805-V809 PolarHBondContact O-N 3.46Å; V809-T813 VanDerWaalsContact O-CB 3.25Å; V809-T813 WeakPolarHBondContact O-CB 3.3Å; V809-T813 PolarHBondContact O-OG1 2.66Å
810E90.9Very high89Confident3 Ų339.7 Ų39.71%0.01421%0.208CC..Iπ-helixtrans-89.3-32-172.6-66.683.7164.200113.5N735 S738 Y739 R741 L806N735-E810 HydrophobicContact CB-CB 4.39Å; N735-E810 HydrophobicContact CB-CG 3.75Å; S738-E810 VanDerWaalsContact CB-OE1 3.25Å; S738-E810 WeakPolarHBondContact CB-OE1 3.12Å; S738-E810 PolarHBondContact OG-OE1 3.38Å; Y739-E810 HydrophobicContact CE2-CB 3.91Å; Y739-E810 HydrophobicContact CE2-CG 4.14Å; Y739-E810 WeakPolarHBondContact OH-CB 3.26Å; R741-E810 IonicContact NH1-OE1 2.67Å; L806-E810 WeakPolarHBondContact CA-OE2 3.17Å; L806-E810 HydrophobicContact CD2-CG 4.3Å; L806-E810 WeakPolarHBondContact O-CB 3.41Å
811F90.3Very high88.7Confident0 Ų044 Ų440%023%0.226CC..Iπ-helixtrans-95.1-53.8-178.1-177.5-108.8000113.3H548 F551 L555 L806 H807 K814 F815H548-F811 AromaticContact CD2-CD2 3.81Å; H548-F811 AromaticContact CE1-CD2 3.8Å; H548-F811 AromaticContact CE1-CG 3.84Å; H548-F811 AromaticContact NE2-CD2 3.44Å; H548-F811 WeakPolarHBondContact NE2-CD2 3.27Å; H548-F811 AromaticContact NE2-CE2 3.91Å; H548-F811 AromaticContact NE2-CG 3.73Å; F551-F811 AromaticContact CD1-CE2 3.64Å; F551-F811 HydrophobicContact CD1-CE2 3.64Å; F551-F811 AromaticContact CD1-CZ 3.98Å; F551-F811 HydrophobicContact CD1-CZ 3.98Å; F551-F811 HydrophobicContact CE1-CE2 4.13Å; F551-F811 AromaticContact CE1-CZ 3.98Å; F551-F811 HydrophobicContact CE1-CZ 3.98Å; L555-F811 HydrophobicContact CD1-CE1 4.47Å; L555-F811 HydrophobicContact CD1-CE2 4.32Å; L555-F811 HydrophobicContact CD1-CZ 3.68Å; L806-F811 PolarHBondContact O-N 3.15Å; H807-F811 WeakPolarHBondContact O-CB 3.47Å; H807-F811 PolarHBondContact O-N 3.21Å; F811-K814 PolarHBondContact O-N 2.67Å; F811-F815 AromaticContact CD1-CE1 3.81Å; F811-F815 HydrophobicContact CD1-CE1 3.81Å; F811-F815 HydrophobicContact CD1-CZ 4.13Å; F811-F815 HydrophobicContact CD2-CE1 4.45Å; F811-F815 AromaticContact CE1-CE1 3.54Å; F811-F815 HydrophobicContact CE1-CE1 3.54Å; F811-F815 AromaticContact CE1-CZ 3.62Å; F811-F815 HydrophobicContact CE1-CZ 3.62Å; F811-F815 HydrophobicContact CE2-CE1 4.21Å; F811-F815 HydrophobicContact CG-CE1 4.26Å; F811-F815 AromaticContact CZ-CE1 3.76Å; F811-F815 HydrophobicContact CZ-CE1 3.76Å; F811-F815 HydrophobicContact CZ-CZ 4.07Å; F811-F815 WeakPolarHBondContact O-CE1 3.38Å
812Q88.8Confident88.4Confident1 Ų143.8 Ų43.81%0.00522%0.222CC..G310 helixtrans-68.8-38.8-173.6-74.3171.5-3.200112.9P391 H807 K814 F815 Y816P391-Q812 HydrophobicContact CB-CG 4.35Å; P391-Q812 HydrophobicContact CG-CG 4.12Å; H807-Q812 WeakPolarHBondContact O-CB 3.14Å; H807-Q812 VanDerWaalsContact O-CG 3.32Å; H807-Q812 WeakPolarHBondContact O-CG 3.43Å; H807-Q812 PolarHBondContact O-N 3.15Å; Q812-K814 PolarHBondContact O-N 3.22Å; Q812-F815 PolarHBondContact O-N 3.12Å; Q812-F815 VanDerWaalsContact O-N 3.08Å; Q812-Y816 HydrophobicContact CB-CD1 4.27Å; Q812-Y816 HydrophobicContact CB-CG 4.43Å; Q812-Y816 VanDerWaalsContact O-CB 3.24Å; Q812-Y816 WeakPolarHBondContact O-CB 3.38Å; Q812-Y816 PolarHBondContact O-N 3.26Å
813T85.8Confident88.2Confident66 Ų6641.5 Ų41.541%0.40521%0.211SC..G310 helixtrans-53.5-17178.2-48.50000114.5V809V809-T813 VanDerWaalsContact O-CB 3.25Å; V809-T813 WeakPolarHBondContact O-CB 3.3Å; V809-T813 PolarHBondContact O-OG1 2.66Å
814K85Confident87.8Confident19 Ų1946.4 Ų46.48%0.08324%0.237CC..G310 helixtrans-85.4-23.8-178.8-59.1-54.5-174.2-177.20114.8V553 S556 Y728 F811 Q812V553-K814 HydrophobicContact CG2-CB 4.1Å; V553-K814 HydrophobicContact CG2-CD 4.11Å; V553-K814 HydrophobicContact CG2-CG 4.01Å; S556-K814 WeakPolarHBondContact CB-O 3.26Å; Y728-K814 HydrophobicContact CD2-CD 4.31Å; Y728-K814 VanDerWaalsContact CD2-NZ 3.27Å; Y728-K814 HydrophobicContact CE2-CD 3.91Å; F811-K814 PolarHBondContact O-N 2.67Å; Q812-K814 PolarHBondContact O-N 3.22Å
815F86.2Confident87.6Confident14 Ų1446.9 Ų46.96%0.06124%0.241CC..THydrogen-bonded Turntrans-143.7-15.5-175.169.5-88.6000114.6E388 P391 G552 L555 N559 F811 Q812E388-F815 VanDerWaalsContact OE1-O 3.06Å; P391-F815 HydrophobicContact CB-CE2 4.46Å; P391-F815 HydrophobicContact CB-CZ 4.06Å; P391-F815 HydrophobicContact CG-CE2 3.88Å; P391-F815 HydrophobicContact CG-CZ 3.87Å; G552-F815 WeakPolarHBondContact O-CD1 3.4Å; L555-F815 HydrophobicContact CB-CB 4.11Å; L555-F815 HydrophobicContact CB-CD1 4.01Å; L555-F815 HydrophobicContact CB-CD2 4.11Å; L555-F815 HydrophobicContact CB-CE1 4.48Å; L555-F815 HydrophobicContact CB-CG 3.8Å; L555-F815 HydrophobicContact CD1-CD1 4.16Å; L555-F815 HydrophobicContact CD1-CE1 3.79Å; L555-F815 HydrophobicContact CD1-CE2 4.18Å; L555-F815 HydrophobicContact CD1-CZ 3.8Å; N559-F815 PolarHBondContact ND2-O 3.37Å; F811-F815 AromaticContact CD1-CE1 3.81Å; F811-F815 HydrophobicContact CD1-CE1 3.81Å; F811-F815 HydrophobicContact CD1-CZ 4.13Å; F811-F815 HydrophobicContact CD2-CE1 4.45Å; F811-F815 AromaticContact CE1-CE1 3.54Å; F811-F815 HydrophobicContact CE1-CE1 3.54Å; F811-F815 AromaticContact CE1-CZ 3.62Å; F811-F815 HydrophobicContact CE1-CZ 3.62Å; F811-F815 HydrophobicContact CE2-CE1 4.21Å; F811-F815 HydrophobicContact CG-CE1 4.26Å; F811-F815 AromaticContact CZ-CE1 3.76Å; F811-F815 HydrophobicContact CZ-CE1 3.76Å; F811-F815 HydrophobicContact CZ-CZ 4.07Å; F811-F815 WeakPolarHBondContact O-CE1 3.38Å; Q812-F815 PolarHBondContact O-N 3.12Å; Q812-F815 VanDerWaalsContact O-N 3.08Å
816Y86.1Confident87.3Confident19 Ų1941.6 Ų41.68%0.07522%0.221CC..  trans-105.3114.8-171.9-175.2-102.5000110.6Y381 G382 G384 E388 P391 Q812 G818Y381-Y816 HydrophobicContact CD1-CE1 4.43Å; G382-Y816 VanDerWaalsContact C-OH 3.29Å; G382-Y816 PolarHBondContact O-OH 2.74Å; G384-Y816 VanDerWaalsContact CA-CE2 3.48Å; G384-Y816 VanDerWaalsContact CA-OH 3.24Å; G384-Y816 WeakPolarHBondContact CA-OH 3.31Å; G384-Y816 PolarHBondContact N-OH 3.13Å; E388-Y816 VanDerWaalsContact OE1-CA 3.28Å; E388-Y816 WeakPolarHBondContact OE1-CA 3.5Å; P391-Y816 HydrophobicContact CG-CD2 3.74Å; P391-Y816 HydrophobicContact CG-CE2 4.08Å; P391-Y816 HydrophobicContact CG-CG 4.2Å; Q812-Y816 HydrophobicContact CB-CD1 4.27Å; Q812-Y816 HydrophobicContact CB-CG 4.43Å; Q812-Y816 VanDerWaalsContact O-CB 3.24Å; Q812-Y816 WeakPolarHBondContact O-CB 3.38Å; Q812-Y816 PolarHBondContact O-N 3.26Å; Y816-G818 VanDerWaalsContact CE1-CA 3.5Å
817A78.7Confident86.9Confident61 Ų6142.9 Ų42.950%0.50423%0.229SC..  trans-83-31.9-177.700000113.5E388 Q819E388-A817 PolarHBondContact OE1-N 3.17Å; A817-Q819 PolarHBondContact O-N 3.36Å
818G78.1Confident86.4Confident23 Ų2342.9 Ų42.924%0.23723%0.229CC..  trans70.418.5170.200000117.1I383 Y816I383-G818 CarbonylContact O-C 3.58Å; I383-G818 VanDerWaalsContact O-CA 3.27Å; I383-G818 WeakPolarHBondContact O-CA 3.21Å; Y816-G818 VanDerWaalsContact CE1-CA 3.5Å
819Q84.6Confident85.3Confident164 Ų16444.6 Ų44.677%0.76624%0.243SC*.BIsolated β-bridgetrans-99.615.4-175.6-63.6178.4-10.800114.5I383 A817I383-Q819 PolarHBondContact O-N 3.02Å; A817-Q819 PolarHBondContact O-N 3.36Å
820G84.9Confident83.9Confident15 Ų1543 Ų4316%0.15523%0.234CC..  trans-82.5172.9-174.900000115.1I383 G384I383-G820 WeakPolarHBondContact CB-O 3.3Å; I383-G820 PolarHBondContact O-N 2.98Å; G384-G820 WeakPolarHBondContact O-CA 3.19Å
821F86.4Confident82.6Confident131 Ų13144 Ų4458%0.57524%0.239SC*.  trans-105.3136.8172-59.1-74000110.3P362 T363P362-F821 CarbonylContact C-O 3.58Å; P362-F821 WeakPolarHBondContact CA-O 3.43Å; T363-F821 PolarHBondContact N-O 3.26Å
822K87.8Confident81.2Confident87 Ų8745.8 Ų45.838%0.37825%0.249SC..BIsolated β-bridgetrans-77.8131.9-180-175.8170.8-177.3167.40109.6D379 I383 L824D379-K822 IonicContact OD2-NZ 3.68Å; I383-K822 HydrophobicContact CD1-CB 3.66Å; I383-K822 HydrophobicContact CG1-CB 4.07Å; I383-K822 HydrophobicContact CG2-CB 4.24Å; K822-L824 PolarHBondContact O-N 3.39Å
823F89.3Confident79.8Confident9 Ų951.4 Ų51.44%0.03928%0.275CS..  trans-69.5115.7170.3-175.9-112.6000110.2M10 Q36 W324 P362 T363 Y364 P825M10-F823 HydrophobicContact CE-CB 4.44Å; M10-F823 HydrophobicContact CE-CD1 4.05Å; M10-F823 HydrophobicContact CE-CD2 3.75Å; M10-F823 HydrophobicContact CE-CE1 4.15Å; M10-F823 HydrophobicContact CE-CE2 3.89Å; M10-F823 HydrophobicContact CE-CG 3.82Å; M10-F823 HydrophobicContact CE-CZ 4.08Å; M10-F823 HydrophobicContact SD-CD2 4.42Å; M10-F823 HydrophobicContact SD-CE2 4.26Å; Q36-F823 HydrophobicContact CB-CD2 3.97Å; Q36-F823 HydrophobicContact CB-CE2 3.53Å; Q36-F823 HydrophobicContact CB-CZ 4.35Å; W324-F823 HydrophobicContact CB-CE2 4.32Å; P362-F823 HydrophobicContact CB-CB 4.11Å; P362-F823 HydrophobicContact CB-CD2 4.19Å; P362-F823 HydrophobicContact CG-CD2 3.75Å; T363-F823 VanDerWaalsContact O-CB 3.29Å; T363-F823 WeakPolarHBondContact O-CB 3.39Å; T363-F823 PolarHBondContact O-N 3.3Å; Y364-F823 HydrophobicContact CD1-CD1 4.43Å; Y364-F823 HydrophobicContact CD2-CB 4.27Å; Y364-F823 AromaticContact CD2-CD1 3.39Å; Y364-F823 HydrophobicContact CD2-CD1 3.39Å; Y364-F823 HydrophobicContact CD2-CE1 4.11Å; Y364-F823 HydrophobicContact CD2-CG 4.21Å; Y364-F823 AromaticContact CE2-CD1 3.98Å; Y364-F823 HydrophobicContact CE2-CD1 3.98Å; Y364-F823 HydrophobicContact CE2-CE1 4.35Å; Y364-F823 HydrophobicContact CG-CB 4.39Å; Y364-F823 AromaticContact CG-CD1 3.65Å; Y364-F823 HydrophobicContact CG-CD1 3.65Å; Y364-F823 HydrophobicContact CG-CE1 4.24Å; Y364-F823 HydrophobicContact CG-CG 4.25Å; F823-P825 HydrophobicContact CD1-CB 4.31Å; F823-P825 HydrophobicContact CD1-CG 4.07Å; F823-P825 HydrophobicContact CE1-CB 3.59Å; F823-P825 HydrophobicContact CE1-CG 3.74Å; F823-P825 HydrophobicContact CZ-CB 3.88Å; F823-P825 WeakPolarHBondContact O-CD 3.39Å
824L86.8Confident78Confident102 Ų10249.9 Ų49.953%0.53427%0.272SS..  trans-115.289.3175.9-82.2157.3000107.6Q36 K822Q36-L824 WeakPolarHBondContact CG-O 3.35Å; K822-L824 PolarHBondContact O-N 3.39Å
825P87.6Confident75.9Confident27 Ų2757.8 Ų57.818%0.17530%0.301CS..  trans-68.6147.817925.1-28.8000110.8G33 V35 F823 T827G33-P825 WeakPolarHBondContact O-CB 3.24Å; V35-P825 WeakPolarHBondContact O-CA 3.39Å; F823-P825 HydrophobicContact CD1-CB 4.31Å; F823-P825 HydrophobicContact CD1-CG 4.07Å; F823-P825 HydrophobicContact CE1-CB 3.59Å; F823-P825 HydrophobicContact CE1-CG 3.74Å; F823-P825 HydrophobicContact CZ-CB 3.88Å; F823-P825 WeakPolarHBondContact O-CD 3.39Å; P825-T827 HydrophobicContact CB-CG2 3.93Å; P825-T827 HydrophobicContact CG-CG2 3.86Å; P825-T827 PolarHBondContact O-N 3.44Å; P825-T827 VanDerWaalsContact O-N 3.1Å
826F87.5Confident73.4Confident10 Ų1061.6 Ų61.64%0.04432%0.318CS..  trans-72.299.1171.5175.8-113.3000109.9V26 G33 V35 F37 A302 I303 T306 F828 I831V26-F826 HydrophobicContact CG1-CE1 3.93Å; V26-F826 HydrophobicContact CG1-CZ 4.42Å; G33-F826 WeakPolarHBondContact CA-O 3.31Å; V35-F826 WeakPolarHBondContact O-CB 3.48Å; V35-F826 PolarHBondContact O-N 3.11Å; F37-F826 HydrophobicContact CD2-CB 4.07Å; F37-F826 HydrophobicContact CD2-CG 4.36Å; F37-F826 HydrophobicContact CE2-CB 4.19Å; F37-F826 AromaticContact CE2-CD1 3.98Å; F37-F826 HydrophobicContact CE2-CD1 3.98Å; F37-F826 HydrophobicContact CE2-CG 4.22Å; A302-F826 HydrophobicContact CB-CE2 3.95Å; A302-F826 HydrophobicContact CB-CZ 4.18Å; I303-F826 HydrophobicContact CG1-CZ 4.5Å; T306-F826 HydrophobicContact CG2-CD1 4.24Å; T306-F826 HydrophobicContact CG2-CD2 3.33Å; T306-F826 HydrophobicContact CG2-CE1 4.19Å; T306-F826 HydrophobicContact CG2-CE2 3.26Å; T306-F826 HydrophobicContact CG2-CG 3.83Å; T306-F826 HydrophobicContact CG2-CZ 3.72Å; F826-F828 HydrophobicContact CZ-CE1 4.08Å; F826-F828 HydrophobicContact CZ-CZ 4.49Å; F826-I831 HydrophobicContact CD2-CD1 4.37Å; F826-I831 HydrophobicContact CE2-CD1 3.95Å
827T86.3Confident70.7Confident28 Ų2867.3 Ų67.317%0.17235%0.345CS..  trans-128.3144.8-179.984.30000111.3G33 P825 S830 I831G33-T827 WeakPolarHBondContact O-CG2 3.37Å; P825-T827 HydrophobicContact CB-CG2 3.93Å; P825-T827 HydrophobicContact CG-CG2 3.86Å; P825-T827 PolarHBondContact O-N 3.44Å; P825-T827 VanDerWaalsContact O-N 3.1Å; T827-S830 PolarHBondContact O-OG 3.5Å; T827-S830 PolarHBondContact OG1-N 2.87Å; T827-S830 PolarHBondContact OG1-OG 3.49Å; T827-I831 VanDerWaalsContact O-CD1 3.3Å; T827-I831 WeakPolarHBondContact O-CD1 3.47Å; T827-I831 VanDerWaalsContact O-CG1 3.29Å; T827-I831 WeakPolarHBondContact O-CG1 3.39Å
828F81.3Confident68.2Low3 Ų376.7 Ų76.71%0.01338%0.379CS..Hα-helixtrans-71.9-30.4176.6-65.9-53.7000113.7S27 G30 E31 V88 K299 A302 I303 F826 S830 I831 L832S27-F828 WeakPolarHBondContact O-CE2 3.17Å; G30-F828 VanDerWaalsContact C-CD2 3.43Å; G30-F828 VanDerWaalsContact C-CE2 3.47Å; G30-F828 WeakPolarHBondContact O-CD2 3.4Å; G30-F828 PolarHBondContact O-N 3.34Å; E31-F828 HydrophobicContact CG-CD2 4.02Å; E31-F828 HydrophobicContact CG-CE2 3.92Å; E31-F828 WeakPolarHBondContact OE1-CD2 3.36Å; V88-F828 HydrophobicContact CG2-CE2 3.94Å; V88-F828 HydrophobicContact CG2-CZ 4.04Å; K299-F828 HydrophobicContact CB-CD1 3.92Å; K299-F828 HydrophobicContact CB-CE1 3.82Å; K299-F828 HydrophobicContact CB-CZ 4.37Å; K299-F828 HydrophobicContact CD-CB 4.28Å; K299-F828 HydrophobicContact CD-CD1 4.09Å; K299-F828 HydrophobicContact CD-CD2 3.97Å; K299-F828 HydrophobicContact CD-CE1 4.43Å; K299-F828 HydrophobicContact CD-CE2 4.31Å; K299-F828 HydrophobicContact CD-CG 3.85Å; K299-F828 HydrophobicContact CG-CB 4.19Å; K299-F828 HydrophobicContact CG-CD1 3.56Å; K299-F828 HydrophobicContact CG-CD2 4.37Å; K299-F828 HydrophobicContact CG-CE1 3.98Å; K299-F828 HydrophobicContact CG-CG 3.79Å; A302-F828 HydrophobicContact CB-CE1 4.32Å; I303-F828 HydrophobicContact CD1-CE1 4.31Å; I303-F828 HydrophobicContact CD1-CZ 3.9Å; I303-F828 HydrophobicContact CG1-CE1 4.04Å; I303-F828 HydrophobicContact CG1-CZ 3.86Å; F826-F828 HydrophobicContact CZ-CE1 4.08Å; F826-F828 HydrophobicContact CZ-CZ 4.49Å; F828-S830 PolarHBondContact O-N 3.13Å; F828-I831 HydrophobicContact CD1-CD1 4.45Å; F828-I831 PolarHBondContact O-N 3.16Å; F828-I831 VanDerWaalsContact O-N 3.08Å; F828-L832 WeakPolarHBondContact O-CG 3.36Å; F828-L832 PolarHBondContact O-N 3.11Å
829D69.3Low67.7Low98 Ų9879.4 Ų79.452%0.52439%0.386SS..Hα-helixtrans-61.1-43.7-179.8-71.9-15.9000111.7I831 L832 E833D829-I831 PolarHBondContact O-N 3.19Å; D829-L832 PolarHBondContact O-N 3Å; D829-E833 WeakPolarHBondContact O-CG 3.46Å; D829-E833 PolarHBondContact O-N 3.08Å; D829-E833 VanDerWaalsContact O-N 3.07Å
830S61Low66.8Low22 Ų2274.9 Ų74.915%0.15437%0.366CS..Hα-helixtrans-62.3-29.7175.848.80000113.6T827 F828 G834 R835 F836T827-S830 PolarHBondContact O-OG 3.5Å; T827-S830 PolarHBondContact OG1-N 2.87Å; T827-S830 PolarHBondContact OG1-OG 3.49Å; F828-S830 PolarHBondContact O-N 3.13Å; S830-G834 PolarHBondContact O-N 3.09Å; S830-R835 PolarHBondContact O-N 2.72Å; S830-F836 WeakPolarHBondContact OG-CD2 3.22Å; S830-F836 WeakPolarHBondContact OG-CE2 3.2Å
831I62.8Low65.8Low25 Ų2578.2 Ų78.213%0.12838%0.378CS..Hα-helixtrans-83.4-33.7-176.3-59170.8000110.4A302 F826 T827 F828 D829 G834 F836A302-I831 HydrophobicContact CB-CD1 3.45Å; A302-I831 VanDerWaalsContact CB-CD1 3.45Å; A302-I831 HydrophobicContact CB-CG2 4.36Å; F826-I831 HydrophobicContact CD2-CD1 4.37Å; F826-I831 HydrophobicContact CE2-CD1 3.95Å; T827-I831 VanDerWaalsContact O-CD1 3.3Å; T827-I831 WeakPolarHBondContact O-CD1 3.47Å; T827-I831 VanDerWaalsContact O-CG1 3.29Å; T827-I831 WeakPolarHBondContact O-CG1 3.39Å; F828-I831 HydrophobicContact CD1-CD1 4.45Å; F828-I831 PolarHBondContact O-N 3.16Å; F828-I831 VanDerWaalsContact O-N 3.08Å; D829-I831 PolarHBondContact O-N 3.19Å; I831-G834 PolarHBondContact O-N 2.66Å; I831-F836 HydrophobicContact CG1-CB 4.02Å; I831-F836 HydrophobicContact CG1-CD2 3.72Å; I831-F836 HydrophobicContact CG1-CE2 4.42Å; I831-F836 HydrophobicContact CG1-CG 3.98Å
832L61.7Low64.6Low37 Ų3775.1 Ų75.119%0.19437%0.366CS..Hα-helixtrans-70.8-34.4173.8-68.6177.1000112.6I295 F828 D829 G834I295-L832 HydrophobicContact CB-CD2 3.98Å; I295-L832 HydrophobicContact CG1-CD1 4.32Å; I295-L832 HydrophobicContact CG1-CD2 3.69Å; I295-L832 HydrophobicContact CG2-CD1 3.96Å; I295-L832 HydrophobicContact CG2-CD2 3.9Å; F828-L832 WeakPolarHBondContact O-CG 3.36Å; F828-L832 PolarHBondContact O-N 3.11Å; D829-L832 PolarHBondContact O-N 3Å; L832-G834 PolarHBondContact O-N 3.3Å
833E57.6Low63.1Low120 Ų12074.4 Ų74.456%0.56137%0.365SS*.THydrogen-bonded Turntrans-73-11.5171.4-69.9-175.3169.400113.3D829 R835D829-E833 WeakPolarHBondContact O-CG 3.46Å; D829-E833 PolarHBondContact O-N 3.08Å; D829-E833 VanDerWaalsContact O-N 3.07Å; E833-R835 HydrophobicContact CB-CG 4.39Å; E833-R835 IonicContact OE2-CZ 2.98Å; E833-R835 IonicContact OE2-NE 3.2Å; E833-R835 PolarHBondContact OE2-NE 2.97Å; E833-R835 IonicContact OE2-NH1 3.49Å; E833-R835 PolarHBondContact OE2-NH1 3.28Å; E833-R835 IonicContact OE2-NH2 2.75Å; E833-R835 PolarHBondContact OE2-NH2 3.39Å
834G49.3Very low61.4Low33 Ų3378.7 Ų78.734%0.3439%0.387SS..THydrogen-bonded Turntrans79.513-179.700000114.7S830 I831 L832 F836S830-G834 PolarHBondContact O-N 3.09Å; I831-G834 PolarHBondContact O-N 2.66Å; L832-G834 PolarHBondContact O-N 3.3Å; G834-F836 PolarHBondContact O-N 3.38Å
835R41.4Very low59.5Low186 Ų18677.1 Ų77.170%0.70238%0.376SS*.THydrogen-bonded Turntrans-75.4-7.1-178.6-71-172.8-176.7142.116.6114.7S830 E833S830-R835 PolarHBondContact O-N 2.72Å; E833-R835 HydrophobicContact CB-CG 4.39Å; E833-R835 IonicContact OE2-CZ 2.98Å; E833-R835 IonicContact OE2-NE 3.2Å; E833-R835 PolarHBondContact OE2-NE 2.97Å; E833-R835 IonicContact OE2-NH1 3.49Å; E833-R835 PolarHBondContact OE2-NH1 3.28Å; E833-R835 IonicContact OE2-NH2 2.75Å; E833-R835 PolarHBondContact OE2-NH2 3.39Å
836F32.7Very low57.4Low94 Ų9480.9 Ų80.941%0.41239%0.392SS..THydrogen-bonded Turntrans-97.73.8-178.2-112.7-83.1000113.5S830 I831 G834S830-F836 WeakPolarHBondContact OG-CD2 3.22Å; S830-F836 WeakPolarHBondContact OG-CE2 3.2Å; I831-F836 HydrophobicContact CG1-CB 4.02Å; I831-F836 HydrophobicContact CG1-CD2 3.72Å; I831-F836 HydrophobicContact CG1-CE2 4.42Å; I831-F836 HydrophobicContact CG1-CG 3.98Å; G834-F836 PolarHBondContact O-N 3.38Å
837E29.1Very low54.9Low138 Ų13886.8 Ų86.865%0.64542%0.421SS*.  trans-90.311178.4-72.4-168162.100113.9R66R66-E837 IonicContact NH2-OE1 2.97Å
838E26Very low52Low258 Ų25892.2 Ų92.2100%1.20644%0.444SS*.  trans-106.20169.8-75.4-171.8169.400113.2

Retrieved 838 of 838 residues in 312 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).