X5LX59_CAEEL Loading...

Solute carrier organic anion transporter family member

AlphaFold DB , UniProt , Accession X5LX59, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 743 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low51Low238 Ų238122.2 Ų122.2100%1.17267%0.67SS**  080.50-149.5173.9-160.400105.9L3M1-L3 PolarHBondContact O-N 2.74Å
2E30Very low52.8Low169 Ų169119.3 Ų119.379%0.7965%0.648SS**  trans-66.6116.3177-78.7176.9147.900107.5G4E2-G4 PolarHBondContact O-N 3.47Å
3L35Very low54.4Low167 Ų167120.6 Ų120.687%0.87465%0.648SS**  trans-67.889.5165.6-97.198.9000107.3M1 V5M1-L3 PolarHBondContact O-N 2.74Å; L3-V5 PolarHBondContact O-N 3.28Å
4G35.8Very low55.7Low58 Ų58118.9 Ų118.960%0.59864%0.637SS**  trans-61102.6162.100000108.1E2 T6E2-G4 PolarHBondContact O-N 3.47Å; G4-T6 VanDerWaalsContact C-N 3.27Å; G4-T6 PolarHBondContact O-N 3.21Å; G4-T6 PolarHBondContact O-OG1 2.86Å
5V47.6Very low56.7Low104 Ų104112.1 Ų112.163%0.6360%0.601SS**  trans-62.395.7170179.30000106.6L3 I7 V318L3-V5 PolarHBondContact O-N 3.28Å; V5-I7 PolarHBondContact O-N 3.15Å; V5-V318 HydrophobicContact CG1-CG1 4.28Å
6T53.3Low58Low131 Ų131110.8 Ų110.880%0.80459%0.59SS**  trans-81115-179.2200000107.8G4 L8G4-T6 VanDerWaalsContact C-N 3.27Å; G4-T6 PolarHBondContact O-N 3.21Å; G4-T6 PolarHBondContact O-OG1 2.86Å; T6-L8 PolarHBondContact O-N 2.89Å
7I59Low59Low36 Ų36115.6 Ų115.619%0.18560%0.598CS.*  trans-58.7130.7174.4-64.6171.9000108.3V5 Q11 H314 V318V5-I7 PolarHBondContact O-N 3.15Å; I7-Q11 HydrophobicContact CG2-CB 3.63Å; I7-H314 WeakPolarHBondContact CD1-CE1 3.38Å; I7-H314 VanDerWaalsContact CD1-NE2 3.26Å; I7-H314 WeakPolarHBondContact CD1-NE2 3.32Å; I7-V318 HydrophobicContact CD1-CG2 3.86Å; I7-V318 HydrophobicContact CG1-CG2 3.91Å
8L67.8Low59.8Low121 Ų121113.1 Ų113.163%0.63458%0.583SS**  trans-56.6137.7174.9-80.3147.5000110.1T6 Q10 Q11 H12T6-L8 PolarHBondContact O-N 2.89Å; L8-Q10 PolarHBondContact O-N 3.4Å; L8-Q10 VanDerWaalsContact O-N 3.07Å; L8-Q11 HydrophobicContact CB-CG 4.42Å; L8-Q11 WeakPolarHBondContact O-CB 3.48Å; L8-Q11 PolarHBondContact O-N 3.46Å; L8-H12 PolarHBondContact O-N 3.44Å
9P66.7Low60.6Low106 Ų106107.4 Ų107.469%0.68855%0.554SS**Hα-helixtrans-55.9-31.9-17717.2-29.2000113.5Q11 H12 E13P9-Q11 PolarHBondContact O-N 2.74Å; P9-H12 PolarHBondContact O-N 3.11Å; P9-E13 PolarHBondContact O-N 3.32Å; P9-E13 VanDerWaalsContact O-N 3.11Å
10Q65Low61.4Low143 Ų143106.1 Ų106.167%0.66855%0.55SS**Hα-helixtrans-62.8-35.8173.1-84.2-179-26.200114L8 L14L8-Q10 PolarHBondContact O-N 3.4Å; L8-Q10 VanDerWaalsContact O-N 3.07Å; Q10-L14 PolarHBondContact O-N 3.39Å
11Q67.3Low62.1Low71 Ų71104.4 Ų104.433%0.33255%0.545SS..Hα-helixtrans-73.9-34.6177.6-68.4-126-30.900111.3I7 L8 P9 L14 I15I7-Q11 HydrophobicContact CG2-CB 3.63Å; L8-Q11 HydrophobicContact CB-CG 4.42Å; L8-Q11 WeakPolarHBondContact O-CB 3.48Å; L8-Q11 PolarHBondContact O-N 3.46Å; P9-Q11 PolarHBondContact O-N 2.74Å; Q11-L14 WeakPolarHBondContact O-CB 3.44Å; Q11-L14 PolarHBondContact O-N 3.37Å; Q11-I15 VanDerWaalsContact O-CG1 3.29Å; Q11-I15 WeakPolarHBondContact O-CG1 3.5Å; Q11-I15 PolarHBondContact O-N 3.32Å
12H72.4Confident64Low87 Ų8794.4 Ų94.440%0.40350%0.496SS..Hα-helixtrans-63.2-43.9174.5-166.6-86.3000112L8 P9 L14 I15 E16L8-H12 PolarHBondContact O-N 3.44Å; P9-H12 PolarHBondContact O-N 3.11Å; H12-L14 VanDerWaalsContact C-N 3.32Å; H12-L14 PolarHBondContact O-N 3.11Å; H12-I15 PolarHBondContact O-N 3.46Å; H12-E16 IonicContact CE1-OE1 3Å; H12-E16 PolarHBondContact CE1-OE1 2.95Å; H12-E16 IonicContact ND1-OE1 2.58Å; H12-E16 PolarHBondContact O-N 2.86Å
13E74.4Confident66.3Low137 Ų13789.6 Ų89.664%0.6448%0.478SS*.Hα-helixtrans-63.4-36.5177.2-164.6179.7176.300112.4P9 E16 R17P9-E13 PolarHBondContact O-N 3.32Å; P9-E13 VanDerWaalsContact O-N 3.11Å; E13-E16 PolarHBondContact O-N 3.07Å; E13-R17 WeakPolarHBondContact O-CB 3.4Å; E13-R17 PolarHBondContact O-N 3.03Å
14L71.8Confident68.3Low96 Ų9688.3 Ų88.350%0.50347%0.468SS..Hα-helixtrans-63.1-44.2172.4-100.4147.2000112.3Q10 Q11 H12 R17 E18Q10-L14 PolarHBondContact O-N 3.39Å; Q11-L14 WeakPolarHBondContact O-CB 3.44Å; Q11-L14 PolarHBondContact O-N 3.37Å; H12-L14 VanDerWaalsContact C-N 3.32Å; H12-L14 PolarHBondContact O-N 3.11Å; L14-R17 PolarHBondContact O-N 3.45Å; L14-E18 PolarHBondContact O-N 3.17Å
15I71.8Confident70.3Confident17 Ų1788.4 Ų88.49%0.08745%0.453CS..Hα-helixtrans-63.1-42.9177.2-66.8166.8000110.7Q11 H12 E18 M19 L313 A317Q11-I15 VanDerWaalsContact O-CG1 3.29Å; Q11-I15 WeakPolarHBondContact O-CG1 3.5Å; Q11-I15 PolarHBondContact O-N 3.32Å; H12-I15 PolarHBondContact O-N 3.46Å; I15-E18 PolarHBondContact O-N 3.35Å; I15-M19 WeakPolarHBondContact O-CB 3.38Å; I15-M19 PolarHBondContact O-N 3.08Å; I15-L313 HydrophobicContact CG1-CB 4.31Å; I15-L313 HydrophobicContact CG2-CB 4.16Å; I15-L313 HydrophobicContact CG2-CD1 4.4Å; I15-A317 HydrophobicContact CD1-CB 3.91Å
16E77Confident71.9Confident92 Ų9283.9 Ų83.943%0.4343%0.426SS..Hα-helixtrans-65.9-39.5177.5-73.8-171160.500112.5H12 E13 E18 M19 T20H12-E16 IonicContact CE1-OE1 3Å; H12-E16 PolarHBondContact CE1-OE1 2.95Å; H12-E16 IonicContact ND1-OE1 2.58Å; H12-E16 PolarHBondContact O-N 2.86Å; E13-E16 PolarHBondContact O-N 3.07Å; E16-E18 VanDerWaalsContact C-N 3.35Å; E16-E18 PolarHBondContact O-N 3.28Å; E16-M19 PolarHBondContact O-N 3.12Å; E16-T20 WeakPolarHBondContact O-CG2 3.47Å; E16-T20 PolarHBondContact O-N 3.4Å; E16-T20 PolarHBondContact O-OG1 3.26Å; E16-T20 VanDerWaalsContact O-OG1 3.08Å
17R74.9Confident73.2Confident192 Ų19281.9 Ų81.973%0.72541%0.407SS*.Hα-helixtrans-64.7-38.3175.3-166.5177-176.4173.53.7112.3E13 L14 T20 V21E13-R17 WeakPolarHBondContact O-CB 3.4Å; E13-R17 PolarHBondContact O-N 3.03Å; L14-R17 PolarHBondContact O-N 3.45Å; R17-T20 WeakPolarHBondContact CA-OG1 3.29Å; R17-T20 PolarHBondContact O-OG1 3.49Å; R17-V21 WeakPolarHBondContact O-CG2 3.25Å; R17-V21 PolarHBondContact O-N 3.19Å
18E73.1Confident74.4Confident70 Ų7080.1 Ų80.133%0.32740%0.398SS..Hα-helixtrans-69.9-39172.6-75.3-165.9174.900112.1L14 I15 E16 T20 V21 L22 L313 R323L14-E18 PolarHBondContact O-N 3.17Å; I15-E18 PolarHBondContact O-N 3.35Å; E16-E18 VanDerWaalsContact C-N 3.35Å; E16-E18 PolarHBondContact O-N 3.28Å; E18-T20 PolarHBondContact O-N 2.88Å; E18-V21 PolarHBondContact O-N 3.37Å; E18-L22 WeakPolarHBondContact O-CG 3.38Å; E18-L22 PolarHBondContact O-N 2.99Å; E18-L313 HydrophobicContact CB-CD1 4.45Å; E18-L313 WeakPolarHBondContact OE2-CD2 3.39Å; E18-R323 IonicContact OE1-NH1 2.77Å; E18-R323 PolarHBondContact OE1-NH1 3.41Å; E18-R323 IonicContact OE2-CZ 3.5Å; E18-R323 IonicContact OE2-NH1 2.68Å; E18-R323 PolarHBondContact OE2-NH1 2.02Å; E18-R323 IonicContact OE2-NH2 3.71Å
19M75Confident75.1Confident6 Ų674.6 Ų74.63%0.0337%0.37CS..Hα-helixtrans-64.9-37.5177.7-90.5-87.875.600113.1I15 E16 L22 T23 L306 R310I15-M19 WeakPolarHBondContact O-CB 3.38Å; I15-M19 PolarHBondContact O-N 3.08Å; E16-M19 PolarHBondContact O-N 3.12Å; M19-L22 HydrophobicContact CE-CB 3.81Å; M19-L22 HydrophobicContact CE-CD1 3.72Å; M19-L22 HydrophobicContact CE-CG 4.43Å; M19-L22 PolarHBondContact O-N 2.84Å; M19-T23 WeakPolarHBondContact O-CB 3.16Å; M19-T23 PolarHBondContact O-N 3.37Å; M19-T23 PolarHBondContact O-OG1 3.2Å; M19-L306 HydrophobicContact CE-CB 4.16Å; M19-L306 HydrophobicContact CE-CD2 3.5Å; M19-L306 HydrophobicContact CE-CG 4.42Å; M19-R310 HydrophobicContact CG-CG 4.29Å; M19-R310 HydrophobicContact SD-CB 3.77Å; M19-R310 HydrophobicContact SD-CG 3.96Å
20T75.9Confident75.8Confident80 Ų8073.1 Ų73.149%0.49136%0.356SS..Hα-helixtrans-63.8-44175.745.60000111.3E16 R17 E18 T23 E24E16-T20 WeakPolarHBondContact O-CG2 3.47Å; E16-T20 PolarHBondContact O-N 3.4Å; E16-T20 PolarHBondContact O-OG1 3.26Å; E16-T20 VanDerWaalsContact O-OG1 3.08Å; R17-T20 WeakPolarHBondContact CA-OG1 3.29Å; R17-T20 PolarHBondContact O-OG1 3.49Å; E18-T20 PolarHBondContact O-N 2.88Å; T20-T23 PolarHBondContact O-N 2.97Å; T20-E24 PolarHBondContact O-N 3.37Å
21V78.1Confident76.5Confident72 Ų7269.2 Ų69.244%0.43635%0.353SS..Hα-helixtrans-60-49.3173.8174.60000111R17 E18 T23 E24 E25R17-V21 WeakPolarHBondContact O-CG2 3.25Å; R17-V21 PolarHBondContact O-N 3.19Å; E18-V21 PolarHBondContact O-N 3.37Å; V21-T23 PolarHBondContact O-N 3.47Å; V21-E24 PolarHBondContact O-N 3.28Å; V21-E25 WeakPolarHBondContact O-CG 3.31Å; V21-E25 PolarHBondContact O-N 2.92Å
22L73.1Confident77.1Confident28 Ų2876 Ų7615%0.14738%0.382CS..Hα-helixtrans-62-33178.2-72.3166.6000112.4E18 M19 E25 S26 V301 L306 H309E18-L22 WeakPolarHBondContact O-CG 3.38Å; E18-L22 PolarHBondContact O-N 2.99Å; M19-L22 HydrophobicContact CE-CB 3.81Å; M19-L22 HydrophobicContact CE-CD1 3.72Å; M19-L22 HydrophobicContact CE-CG 4.43Å; M19-L22 PolarHBondContact O-N 2.84Å; L22-E25 PolarHBondContact O-N 3.38Å; L22-S26 WeakPolarHBondContact O-CB 3.38Å; L22-S26 PolarHBondContact O-N 3.43Å; L22-V301 HydrophobicContact CD2-CG2 3.87Å; L22-L306 HydrophobicContact CB-CD2 3.64Å; L22-H309 HydrophobicContact CD1-CB 4.48Å
23T76.9Confident77.6Confident67 Ų6778.7 Ų78.741%0.41139%0.389SS..Hα-helixtrans-68.8-41.4177.3-56.40000111.3M19 T20 V21 S26M19-T23 WeakPolarHBondContact O-CB 3.16Å; M19-T23 PolarHBondContact O-N 3.37Å; M19-T23 PolarHBondContact O-OG1 3.2Å; T20-T23 PolarHBondContact O-N 2.97Å; V21-T23 PolarHBondContact O-N 3.47Å; T23-S26 PolarHBondContact O-N 3Å; T23-S26 PolarHBondContact O-OG 3.06Å
24E77.4Confident78.2Confident140 Ų14076.4 Ų76.465%0.65437%0.374SS*.Hα-helixtrans-64.4-40.7172.5-70.8-175.317100111.9T20 V21 S26 Q27T20-E24 PolarHBondContact O-N 3.37Å; V21-E24 PolarHBondContact O-N 3.28Å; E24-S26 PolarHBondContact O-N 3.41Å; E24-Q27 PolarHBondContact O-N 3.45Å
25E78.6Confident79Confident60 Ų6072.8 Ų72.828%0.2836%0.357SS..Hα-helixtrans-69.5-15.6177.1-69.4-163.6147.100113.9V21 L22 K300V21-E25 WeakPolarHBondContact O-CG 3.31Å; V21-E25 PolarHBondContact O-N 2.92Å; L22-E25 PolarHBondContact O-N 3.38Å; E25-K300 HydrophobicContact CB-CB 4.27Å; E25-K300 HydrophobicContact CB-CD 4.21Å; E25-K300 HydrophobicContact CG-CD 4.03Å; E25-K300 PolarHBondContact O-N 2.8Å; E25-K300 VanDerWaalsContact O-N 3.07Å; E25-K300 WeakPolarHBondContact OE1-CD 3.28Å; E25-K300 IonicContact OE1-NZ 3.19Å; E25-K300 PolarHBondContact OE1-NZ 3.41Å
26S79.8Confident79.6Confident9 Ų981.4 Ų81.46%0.06339%0.393CS..THydrogen-bonded Turntrans-82.5-9.8177.179.40000115.1L22 T23 E24 P299 V301L22-S26 WeakPolarHBondContact O-CB 3.38Å; L22-S26 PolarHBondContact O-N 3.43Å; T23-S26 PolarHBondContact O-N 3Å; T23-S26 PolarHBondContact O-OG 3.06Å; E24-S26 PolarHBondContact O-N 3.41Å; S26-P299 WeakPolarHBondContact O-CB 3.46Å; S26-V301 WeakPolarHBondContact CA-O 3.47Å; S26-V301 VanDerWaalsContact CB-O 3.28Å; S26-V301 WeakPolarHBondContact CB-O 3.34Å
27Q81.4Confident80Confident89 Ų8985.4 Ų85.442%0.41641%0.405SS..SBendtrans-79.8131.2178.3-61.9-174-5.700111.3E24 R34E24-Q27 PolarHBondContact O-N 3.45Å; Q27-R34 HydrophobicContact CB-CG 4.43Å; Q27-R34 VanDerWaalsContact O-CZ 3.29Å; Q27-R34 PolarHBondContact O-NH1 2.99Å
28C83.9Confident80.5Confident0 Ų076.9 Ų76.90%037%0.373CS..  trans-72.7144178-57.10000111.6R34 L38 Q39 G42 S297 P299C28-R34 WeakPolarHBondContact O-CD 3.12Å; C28-L38 VanDerWaalsContact CB-O 3.26Å; C28-L38 WeakPolarHBondContact CB-O 3.26Å; C28-Q39 PolarHBondContact O-NE2 3.19Å; C28-G42 WeakPolarHBondContact SG-CA 3.28Å; C28-G42 PolarHBondContact SG-N 2.84Å; C28-S297 CarbonylContact C-O 3.56Å; C28-S297 WeakPolarHBondContact CA-O 3.34Å; C28-S297 WeakPolarHBondContact CB-O 3.43Å; C28-P299 VanDerWaalsContact SG-CD 3.6Å
29G83Confident81.1Confident4 Ų476.5 Ų76.54%0.04137%0.372CS..SBendtrans146.8179.3179.100000116W33 R34 S297G29-W33 CarbonylContact C-O 3.58Å; G29-W33 VanDerWaalsContact CA-O 3.24Å; G29-W33 WeakPolarHBondContact CA-O 3.26Å; G29-R34 PolarHBondContact O-NH1 3.27Å; G29-S297 PolarHBondContact N-O 3.38Å
30I81.6Confident81.6Confident76 Ų7679.9 Ų79.939%0.3940%0.395SS..BIsolated β-bridgetrans-115.8116.6-173.2-58.7173.2000108.1K32 W33I30-K32 PolarHBondContact O-N 3.14Å; I30-W33 PolarHBondContact N-O 3.45Å; I30-W33 VanDerWaalsContact N-O 3.1Å; I30-W33 WeakPolarHBondContact O-CB 3.37Å; I30-W33 PolarHBondContact O-N 3.47Å
31G78.4Confident81.9Confident60 Ų6077.9 Ų77.962%0.61938%0.381SS*.THydrogen-bonded Turntrans58.9-119.2-17500000112R34G31-R34 PolarHBondContact O-NH2 3.42Å; G31-R34 VanDerWaalsContact O-NH2 3.13Å
32K79.8Confident82.1Confident213 Ų21374.9 Ų74.993%0.92636%0.364SS*.THydrogen-bonded Turntrans-90-7.8177.7-64.6-176.3179.7-179.70113.6I30 R34I30-K32 PolarHBondContact O-N 3.14Å; K32-R34 PolarHBondContact O-N 3.25Å
33W84.6Confident82.8Confident144 Ų14479.6 Ų79.655%0.54538%0.384SS..BIsolated β-bridgetrans-87.1110.6-176.3-175.766.2000110.6G29 I30 P35 W37 L38G29-W33 CarbonylContact C-O 3.58Å; G29-W33 VanDerWaalsContact CA-O 3.24Å; G29-W33 WeakPolarHBondContact CA-O 3.26Å; I30-W33 PolarHBondContact N-O 3.45Å; I30-W33 VanDerWaalsContact N-O 3.1Å; I30-W33 WeakPolarHBondContact O-CB 3.37Å; I30-W33 PolarHBondContact O-N 3.47Å; W33-P35 HydrophobicContact CD2-CG 4.16Å; W33-P35 HydrophobicContact CE3-CG 4.32Å; W33-P35 HydrophobicContact CH2-CG 4.03Å; W33-P35 HydrophobicContact CZ2-CB 4.44Å; W33-P35 HydrophobicContact CZ2-CG 3.82Å; W33-P35 HydrophobicContact CZ3-CG 4.26Å; W33-W37 HydrophobicContact CH2-CH2 4.21Å; W33-W37 AromaticContact CH2-CZ2 3.66Å; W33-W37 HydrophobicContact CH2-CZ2 3.66Å; W33-W37 HydrophobicContact CZ2-CZ2 4.12Å; W33-L38 HydrophobicContact CZ3-CD2 4.46Å
34R85.8Confident83.3Confident89 Ų8979 Ų7934%0.33638%0.377SS..  trans-127.770.9-173.8-58.4-69.7-177.9-156.7-12.4112.1Q27 C28 G29 G31 K32Q27-R34 HydrophobicContact CB-CG 4.43Å; Q27-R34 VanDerWaalsContact O-CZ 3.29Å; Q27-R34 PolarHBondContact O-NH1 2.99Å; C28-R34 WeakPolarHBondContact O-CD 3.12Å; G29-R34 PolarHBondContact O-NH1 3.27Å; G31-R34 PolarHBondContact O-NH2 3.42Å; G31-R34 VanDerWaalsContact O-NH2 3.13Å; K32-R34 PolarHBondContact O-N 3.25Å
35P88.5Confident83.8Confident21 Ų2178.1 Ų78.114%0.13638%0.375CS..  trans-74.1153.4-17829.6-33.9000113W33 W37 L38 Q39W33-P35 HydrophobicContact CD2-CG 4.16Å; W33-P35 HydrophobicContact CE3-CG 4.32Å; W33-P35 HydrophobicContact CH2-CG 4.03Å; W33-P35 HydrophobicContact CZ2-CB 4.44Å; W33-P35 HydrophobicContact CZ2-CG 3.82Å; W33-P35 HydrophobicContact CZ3-CG 4.26Å; P35-W37 HydrophobicContact CG-CZ2 4.07Å; P35-W37 PolarHBondContact O-N 3.41Å; P35-L38 HydrophobicContact CG-CB 3.77Å; P35-L38 HydrophobicContact CG-CD2 3.96Å; P35-L38 PolarHBondContact O-N 2.86Å; P35-Q39 PolarHBondContact O-NE2 3.13Å
36K84.1Confident84.4Confident197 Ų19776.6 Ų76.686%0.85737%0.371SS*.THydrogen-bonded Turntrans-64-38.5-176.6-70.4-175.5179.3178.50113.7L38 Q39K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 2.96Å; K36-Q39 WeakPolarHBondContact O-CB 3.49Å; K36-Q39 PolarHBondContact O-N 2.89Å
37W85.9Confident85Confident177 Ų17776.2 Ų76.267%0.6737%0.368SS*.G310 helixtrans-66.3-29.7-17957.9-96.7000112.8W33 P35 Q39W33-W37 HydrophobicContact CH2-CH2 4.21Å; W33-W37 AromaticContact CH2-CZ2 3.66Å; W33-W37 HydrophobicContact CH2-CZ2 3.66Å; W33-W37 HydrophobicContact CZ2-CZ2 4.12Å; P35-W37 HydrophobicContact CG-CZ2 4.07Å; P35-W37 PolarHBondContact O-N 3.41Å; W37-Q39 VanDerWaalsContact C-N 3.31Å; W37-Q39 PolarHBondContact O-N 3.42Å
38L84.9Confident85.5Confident13 Ų1372.3 Ų72.37%0.06835%0.35CS..G310 helixtrans-78.8-15.4-179.1-159.474.7000112.6C28 W33 P35 K36 C40 L41C28-L38 VanDerWaalsContact CB-O 3.26Å; C28-L38 WeakPolarHBondContact CB-O 3.26Å; W33-L38 HydrophobicContact CZ3-CD2 4.46Å; P35-L38 HydrophobicContact CG-CB 3.77Å; P35-L38 HydrophobicContact CG-CD2 3.96Å; P35-L38 PolarHBondContact O-N 2.86Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 2.96Å; L38-C40 PolarHBondContact O-N 3.29Å; L38-C40 VanDerWaalsContact O-N 3.14Å; L38-L41 HydrophobicContact CD1-CD1 3.8Å; L38-L41 HydrophobicContact CG-CD1 4.25Å; L38-L41 WeakPolarHBondContact O-CB 3.41Å; L38-L41 PolarHBondContact O-N 3.41Å; L38-L41 VanDerWaalsContact O-N 3.09Å
39Q85.8Confident86Confident62 Ų6276 Ų7629%0.2937%0.372SS..G310 helixtrans-64-16.2174.6-57.8-53.5-37.400113C28 P35 K36 W37 L41 G42C28-Q39 PolarHBondContact O-NE2 3.19Å; P35-Q39 PolarHBondContact O-NE2 3.13Å; K36-Q39 WeakPolarHBondContact O-CB 3.49Å; K36-Q39 PolarHBondContact O-N 2.89Å; W37-Q39 VanDerWaalsContact C-N 3.31Å; W37-Q39 PolarHBondContact O-N 3.42Å; Q39-L41 PolarHBondContact O-N 3.41Å; Q39-G42 PolarHBondContact O-N 3.02Å
40C85.7Confident86.5Confident76 Ų7676.9 Ų76.951%0.51438%0.376SS..G310 helixtrans-61.8-25.8172.8-169.40000112.7L38 G42L38-C40 PolarHBondContact O-N 3.29Å; L38-C40 VanDerWaalsContact O-N 3.14Å; C40-G42 PolarHBondContact O-N 3.41Å
41L83.8Confident87.1Confident38 Ų3873.2 Ų73.220%0.19936%0.357CS..G310 helixtrans-73.6-12.9176.2-64.7175.9000113L38 Q39 K43 P46 P294 S297 L298L38-L41 HydrophobicContact CD1-CD1 3.8Å; L38-L41 HydrophobicContact CG-CD1 4.25Å; L38-L41 WeakPolarHBondContact O-CB 3.41Å; L38-L41 PolarHBondContact O-N 3.41Å; L38-L41 VanDerWaalsContact O-N 3.09Å; Q39-L41 PolarHBondContact O-N 3.41Å; L41-K43 PolarHBondContact O-N 2.99Å; L41-P46 HydrophobicContact CD2-CB 3.9Å; L41-P294 HydrophobicContact CD1-CB 4.47Å; L41-S297 WeakPolarHBondContact CD1-OG 3.39Å; L41-L298 HydrophobicContact CB-CD2 4.32Å; L41-L298 WeakPolarHBondContact O-CD2 3.3Å
42G82.3Confident87.9Confident9 Ų970.6 Ų70.69%0.09333%0.33CS..SBendtrans-77.232.1178.400000113.8C28 Q39 C40 L302 P303C28-G42 WeakPolarHBondContact SG-CA 3.28Å; C28-G42 PolarHBondContact SG-N 2.84Å; Q39-G42 PolarHBondContact O-N 3.02Å; C40-G42 PolarHBondContact O-N 3.41Å; G42-L302 WeakPolarHBondContact O-CD2 2.75Å; G42-P303 WeakPolarHBondContact O-CD 3.16Å
43K87.6Confident88.6Confident127 Ų12763 Ų6355%0.55230%0.301SS*.SBendtrans-116.7156.3177.8-67.8177.3-178.1176.50109.6L41 L45 P46 M47 L302L41-K43 PolarHBondContact O-N 2.99Å; K43-L45 VanDerWaalsContact C-N 3.27Å; K43-L45 PolarHBondContact O-N 3.23Å; K43-P46 HydrophobicContact CB-CG 4.06Å; K43-P46 WeakPolarHBondContact O-CD 3.07Å; K43-M47 PolarHBondContact O-N 3.07Å; K43-L302 VanDerWaalsContact C-CD2 3.45Å
44Q86.6Confident89.1Confident56 Ų5656.2 Ų56.226%0.26228%0.275SS..Hα-helixtrans-61.2-34.1179.5-70.9174.2-1900112.9I48 N215 F224 L302Q44-I48 PolarHBondContact O-N 3.26Å; Q44-N215 PolarHBondContact NE2-O 3.44Å; Q44-F224 HydrophobicContact CB-CE2 4.17Å; Q44-L302 HydrophobicContact CG-CD1 4.03Å
45L88.7Confident89.6Confident120 Ų12052 Ų5263%0.62826%0.259SS*.Hα-helixtrans-72.4-50.7-177.6-172.973.5000113.5K43 M47 I48 V49K43-L45 VanDerWaalsContact C-N 3.27Å; K43-L45 PolarHBondContact O-N 3.23Å; L45-M47 VanDerWaalsContact C-N 3.25Å; L45-M47 PolarHBondContact O-N 2.67Å; L45-I48 HydrophobicContact CD1-CG2 4.21Å; L45-I48 WeakPolarHBondContact O-CG2 3.38Å; L45-I48 PolarHBondContact O-N 3.3Å; L45-V49 VanDerWaalsContact O-CG2 3.3Å; L45-V49 WeakPolarHBondContact O-CG2 3.24Å; L45-V49 PolarHBondContact O-N 2.86Å
46P91.3Very high89.9Confident29 Ų2951.8 Ų51.819%0.18826%0.258CS..Hα-helixtrans-56.1-38.6172.2-26.433.7000113.6L41 K43 V49 L50L41-P46 HydrophobicContact CD2-CB 3.9Å; K43-P46 HydrophobicContact CB-CG 4.06Å; K43-P46 WeakPolarHBondContact O-CD 3.07Å; P46-V49 PolarHBondContact O-N 2.65Å; P46-L50 WeakPolarHBondContact O-CB 3.15Å; P46-L50 WeakPolarHBondContact O-CG 3.44Å; P46-L50 PolarHBondContact O-N 2.95Å
47M91.5Very high90.4Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-56.5-55.3175.2178-170.875.300111.4K43 L45 V49 L50 L51 Y211 I212 N215 V216 L298 L302K43-M47 PolarHBondContact O-N 3.07Å; L45-M47 VanDerWaalsContact C-N 3.25Å; L45-M47 PolarHBondContact O-N 2.67Å; M47-V49 VanDerWaalsContact C-N 3.32Å; M47-V49 PolarHBondContact O-N 3.47Å; M47-L50 PolarHBondContact O-N 2.87Å; M47-L51 HydrophobicContact CG-CD1 4.22Å; M47-L51 WeakPolarHBondContact O-CG 3.5Å; M47-L51 PolarHBondContact O-N 2.7Å; M47-L51 VanDerWaalsContact O-N 3.09Å; M47-Y211 HydrophobicContact CG-CD1 4.17Å; M47-Y211 HydrophobicContact CG-CE1 3.5Å; M47-Y211 HydrophobicContact SD-CD1 3.9Å; M47-Y211 HydrophobicContact SD-CE1 3.44Å; M47-Y211 WeakPolarHBondContact SD-CE1 3.35Å; M47-I212 HydrophobicContact CE-CG1 4.41Å; M47-N215 HydrophobicContact SD-CB 4.18Å; M47-V216 HydrophobicContact CE-CG2 3.87Å; M47-L298 HydrophobicContact CB-CD2 4.42Å; M47-L302 HydrophobicContact CB-CD1 4.43Å; M47-L302 HydrophobicContact CE-CD1 3.99Å; M47-L302 HydrophobicContact SD-CD1 3.45Å; M47-L302 WeakPolarHBondContact SD-CD1 3.41Å
48I91.6Very high90.9Very high8 Ų834.8 Ų34.84%0.04119%0.189CC..Hα-helixtrans-65.3-38-177.7-169.163.7000111.3Q44 L45 L50 L51 C52 I212 F224 I227 F228Q44-I48 PolarHBondContact O-N 3.26Å; L45-I48 HydrophobicContact CD1-CG2 4.21Å; L45-I48 WeakPolarHBondContact O-CG2 3.38Å; L45-I48 PolarHBondContact O-N 3.3Å; I48-L50 PolarHBondContact O-N 3.31Å; I48-L51 PolarHBondContact O-N 3.06Å; I48-C52 WeakPolarHBondContact O-CB 3.21Å; I48-C52 PolarHBondContact O-N 3.4Å; I48-C52 PolarHBondContact O-SG 3.23Å; I48-I212 HydrophobicContact CD1-CD1 3.69Å; I48-I212 HydrophobicContact CD1-CG1 4.24Å; I48-F224 HydrophobicContact CD1-CB 4.14Å; I48-I227 HydrophobicContact CG1-CG2 4.47Å; I48-F228 HydrophobicContact CD1-CB 4.13Å
49V93.8Very high91.3Very high76 Ų7634.1 Ų34.146%0.46119%0.186SC..Hα-helixtrans-59.9-46.1176.5170.50000111.2L45 P46 M47 C52 V53L45-V49 VanDerWaalsContact O-CG2 3.3Å; L45-V49 WeakPolarHBondContact O-CG2 3.24Å; L45-V49 PolarHBondContact O-N 2.86Å; P46-V49 PolarHBondContact O-N 2.65Å; M47-V49 VanDerWaalsContact C-N 3.32Å; M47-V49 PolarHBondContact O-N 3.47Å; V49-C52 PolarHBondContact O-N 3.41Å; V49-V53 WeakPolarHBondContact O-CG2 3.28Å; V49-V53 PolarHBondContact O-N 2.68Å
50L94.5Very high91.8Very high23 Ų2332.5 Ų32.512%0.1218%0.179CC..Hα-helixtrans-66.6-38179.4-71.6169.2000112.7P46 M47 I48 V53 Y54 P294 L295 L298P46-L50 WeakPolarHBondContact O-CB 3.15Å; P46-L50 WeakPolarHBondContact O-CG 3.44Å; P46-L50 PolarHBondContact O-N 2.95Å; M47-L50 PolarHBondContact O-N 2.87Å; I48-L50 PolarHBondContact O-N 3.31Å; L50-V53 PolarHBondContact O-N 3.13Å; L50-Y54 PolarHBondContact O-N 3.11Å; L50-P294 HydrophobicContact CD1-CB 4.12Å; L50-P294 HydrophobicContact CD2-CB 3.77Å; L50-P294 HydrophobicContact CD2-CG 3.77Å; L50-L295 HydrophobicContact CB-CD1 4.12Å; L50-L298 HydrophobicContact CB-CD1 4.48Å; L50-L298 HydrophobicContact CD1-CD1 3.97Å; L50-L298 HydrophobicContact CD1-CD2 4.01Å; L50-L298 HydrophobicContact CD1-CG 3.96Å
51L94.2Very high92.4Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-66.2-39.5173.7-67.9175000111.9M47 I48 Y54 C55 L115 Y211 I212 F228 L295M47-L51 HydrophobicContact CG-CD1 4.22Å; M47-L51 WeakPolarHBondContact O-CG 3.5Å; M47-L51 PolarHBondContact O-N 2.7Å; M47-L51 VanDerWaalsContact O-N 3.09Å; I48-L51 PolarHBondContact O-N 3.06Å; L51-Y54 PolarHBondContact O-N 2.99Å; L51-C55 WeakPolarHBondContact O-CB 3.41Å; L51-C55 PolarHBondContact O-N 3.38Å; L51-L115 HydrophobicContact CD2-CD1 3.81Å; L51-L115 HydrophobicContact CD2-CD2 4.49Å; L51-Y211 HydrophobicContact CD1-CD1 4.16Å; L51-I212 HydrophobicContact CD1-CD1 3.76Å; L51-I212 HydrophobicContact CD1-CG1 3.45Å; L51-I212 VanDerWaalsContact CD1-CG1 3.45Å; L51-F228 HydrophobicContact CB-CD2 4.06Å; L51-F228 HydrophobicContact CB-CE2 4.22Å; L51-L295 HydrophobicContact CD2-CD1 4.39Å
52C94.3Very high92.9Very high5 Ų527.7 Ų27.73%0.03415%0.149CC..Hα-helixtrans-64.5-41.9173.8-72.60000111.7I48 V49 Y54 C55 S56 F231I48-C52 WeakPolarHBondContact O-CB 3.21Å; I48-C52 PolarHBondContact O-N 3.4Å; I48-C52 PolarHBondContact O-SG 3.23Å; V49-C52 PolarHBondContact O-N 3.41Å; C52-Y54 VanDerWaalsContact C-N 3.32Å; C52-Y54 PolarHBondContact O-N 2.89Å; C52-C55 WeakPolarHBondContact O-CB 3.33Å; C52-C55 PolarHBondContact O-N 3.1Å; C52-S56 WeakPolarHBondContact O-CB 3.46Å; C52-S56 PolarHBondContact O-N 3.26Å; C52-S56 PolarHBondContact O-OG 3.01Å; C52-S56 VanDerWaalsContact O-OG 3.1Å; C52-F231 HydrophobicContact CB-CB 3.88Å; C52-F231 HydrophobicContact CB-CD1 3.83Å; C52-F231 HydrophobicContact CB-CD2 3.94Å; C52-F231 HydrophobicContact CB-CE1 4.34Å; C52-F231 HydrophobicContact CB-CE2 4.44Å; C52-F231 HydrophobicContact CB-CG 3.6Å; C52-F231 VanDerWaalsContact SG-CD2 3.56Å
53V95.2Very high93.4Very high54 Ų5431 Ų3133%0.32717%0.165SC..Hα-helixtrans-58.9-45.9173.9167.60000110.3V49 L50 C55 S56 I57 A291V49-V53 WeakPolarHBondContact O-CG2 3.28Å; V49-V53 PolarHBondContact O-N 2.68Å; L50-V53 PolarHBondContact O-N 3.13Å; V53-C55 PolarHBondContact O-N 3.28Å; V53-S56 PolarHBondContact O-N 2.95Å; V53-I57 HydrophobicContact CG1-CD1 3.72Å; V53-I57 HydrophobicContact CG1-CG1 4.36Å; V53-I57 VanDerWaalsContact O-CG1 3.25Å; V53-I57 WeakPolarHBondContact O-CG1 3.28Å; V53-I57 PolarHBondContact O-N 3.22Å; V53-A291 HydrophobicContact CG1-CB 4.14Å
54Y96.2Very high93.7Very high1 Ų125 Ų250%0.00414%0.139CC..Hα-helixtrans-60.5-46.5176-174.4-169.8000111.6L50 L51 C52 S56 I57 Q58 L115 L119 M122 G200 L204 L295L50-Y54 PolarHBondContact O-N 3.11Å; L51-Y54 PolarHBondContact O-N 2.99Å; C52-Y54 VanDerWaalsContact C-N 3.32Å; C52-Y54 PolarHBondContact O-N 2.89Å; Y54-S56 VanDerWaalsContact C-N 3.32Å; Y54-S56 PolarHBondContact O-N 3.09Å; Y54-I57 PolarHBondContact O-N 2.93Å; Y54-Q58 PolarHBondContact O-N 3.43Å; Y54-L115 HydrophobicContact CD1-CD2 4.43Å; Y54-L115 HydrophobicContact CE1-CD2 4.16Å; Y54-L119 HydrophobicContact CD1-CB 4.44Å; Y54-L119 HydrophobicContact CD2-CB 4.08Å; Y54-L119 HydrophobicContact CD2-CD1 3.59Å; Y54-L119 HydrophobicContact CD2-CD2 4.45Å; Y54-L119 HydrophobicContact CD2-CG 4.24Å; Y54-L119 HydrophobicContact CE1-CB 4.19Å; Y54-L119 HydrophobicContact CE2-CB 3.8Å; Y54-L119 HydrophobicContact CE2-CD1 3.75Å; Y54-L119 HydrophobicContact CE2-CG 4.31Å; Y54-L119 HydrophobicContact CG-CB 4.41Å; Y54-L119 HydrophobicContact CG-CD1 4.4Å; Y54-L119 HydrophobicContact CG-CD2 4.49Å; Y54-L119 PolarHBondContact OH-N 3.42Å; Y54-L119 VanDerWaalsContact OH-N 3.16Å; Y54-M122 HydrophobicContact CD2-CE 4.02Å; Y54-M122 HydrophobicContact CE2-CE 3.63Å; Y54-M122 HydrophobicContact CE2-SD 4.18Å; Y54-G200 PolarHBondContact OH-O 2.85Å; Y54-L204 HydrophobicContact CD1-CB 4.2Å; Y54-L204 HydrophobicContact CD1-CD1 3.55Å; Y54-L204 HydrophobicContact CD1-CG 4.33Å; Y54-L204 HydrophobicContact CD2-CD1 4.46Å; Y54-L204 HydrophobicContact CD2-CD2 4.32Å; Y54-L204 HydrophobicContact CE1-CB 3.74Å; Y54-L204 HydrophobicContact CE1-CD1 4.01Å; Y54-L204 HydrophobicContact CE1-CG 4.34Å; Y54-L204 HydrophobicContact CE2-CD2 4.37Å; Y54-L204 HydrophobicContact CG-CD1 3.79Å; Y54-L204 HydrophobicContact CG-CD2 4.45Å; Y54-L295 HydrophobicContact CD1-CD2 4.03Å
55C94.8Very high94.2Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-57-43.5175.1-165.10000112.5L51 C52 V53 Q58 G59 L204 F228 A232L51-C55 WeakPolarHBondContact O-CB 3.41Å; L51-C55 PolarHBondContact O-N 3.38Å; C52-C55 WeakPolarHBondContact O-CB 3.33Å; C52-C55 PolarHBondContact O-N 3.1Å; V53-C55 PolarHBondContact O-N 3.28Å; C55-Q58 PolarHBondContact O-N 3.43Å; C55-G59 PolarHBondContact O-N 2.84Å; C55-L204 HydrophobicContact CB-CD1 4.38Å; C55-L204 HydrophobicContact CB-CD2 4.42Å; C55-F228 HydrophobicContact CB-CD2 4.28Å; C55-F228 HydrophobicContact CB-CE2 3.86Å; C55-F228 HydrophobicContact CB-CZ 4.41Å; C55-A232 VanDerWaalsContact SG-CA 3.59Å; C55-A232 VanDerWaalsContact SG-CB 3.59Å
56S94.6Very high94.6Very high17 Ų1717.1 Ų17.112%0.11910%0.099CC..Hα-helixtrans-67.2-39.3176.8-62.70000112.8C52 V53 Y54 Q58 G59 L60 F231 G235C52-S56 WeakPolarHBondContact O-CB 3.46Å; C52-S56 PolarHBondContact O-N 3.26Å; C52-S56 PolarHBondContact O-OG 3.01Å; C52-S56 VanDerWaalsContact O-OG 3.1Å; V53-S56 PolarHBondContact O-N 2.95Å; Y54-S56 VanDerWaalsContact C-N 3.32Å; Y54-S56 PolarHBondContact O-N 3.09Å; S56-Q58 VanDerWaalsContact C-N 3.35Å; S56-G59 PolarHBondContact O-N 2.7Å; S56-L60 WeakPolarHBondContact O-CB 3.21Å; S56-L60 PolarHBondContact O-N 2.66Å; S56-F231 PolarHBondContact OG-O 2.86Å; S56-G235 WeakPolarHBondContact O-CA 3.46Å
57I95.9Very high94.8Very high10 Ų1016 Ų165%0.0519%0.092CC..Hα-helixtrans-65.5-40.6176-64.5166.1000110.4V53 Y54 L60 I61 L119 M122 V287 A291V53-I57 HydrophobicContact CG1-CD1 3.72Å; V53-I57 HydrophobicContact CG1-CG1 4.36Å; V53-I57 VanDerWaalsContact O-CG1 3.25Å; V53-I57 WeakPolarHBondContact O-CG1 3.28Å; V53-I57 PolarHBondContact O-N 3.22Å; Y54-I57 PolarHBondContact O-N 2.93Å; I57-L60 WeakPolarHBondContact O-CB 3.38Å; I57-L60 PolarHBondContact O-N 2.97Å; I57-I61 HydrophobicContact CG2-CD1 3.73Å; I57-I61 WeakPolarHBondContact O-CD1 3.41Å; I57-I61 WeakPolarHBondContact O-CG1 3.32Å; I57-I61 PolarHBondContact O-N 3.02Å; I57-I61 VanDerWaalsContact O-N 3.07Å; I57-L119 HydrophobicContact CD1-CD1 4.34Å; I57-L119 HydrophobicContact CG2-CD1 4.35Å; I57-M122 HydrophobicContact CB-CE 4.22Å; I57-M122 HydrophobicContact CG2-CE 3.72Å; I57-V287 HydrophobicContact CD1-CG1 4.01Å; I57-V287 HydrophobicContact CG1-CG1 4.31Å; I57-A291 HydrophobicContact CD1-CB 4.1Å
58Q95.8Very high94.9Very high6 Ų616 Ų163%0.0289%0.092CC..Hα-helixtrans-61.3-49.4175.1177.8-82.9-46.400111.2Y54 C55 S56 I61 V62 Y91 M122 A201 L204 F205Y54-Q58 PolarHBondContact O-N 3.43Å; C55-Q58 PolarHBondContact O-N 3.43Å; S56-Q58 VanDerWaalsContact C-N 3.35Å; Q58-I61 PolarHBondContact O-N 3.39Å; Q58-V62 WeakPolarHBondContact O-CB 3.37Å; Q58-V62 WeakPolarHBondContact O-CG2 3.35Å; Q58-V62 PolarHBondContact O-N 3.37Å; Q58-Y91 PolarHBondContact NE2-OH 3.09Å; Q58-M122 VanDerWaalsContact CA-CE 3.49Å; Q58-M122 HydrophobicContact CB-CE 3.79Å; Q58-M122 HydrophobicContact CB-SD 3.83Å; Q58-M122 HydrophobicContact CG-SD 4.03Å; Q58-A201 HydrophobicContact CG-CB 3.93Å; Q58-L204 HydrophobicContact CB-CD2 3.79Å; Q58-L204 HydrophobicContact CG-CD2 4.03Å; Q58-F205 HydrophobicContact CG-CE2 4.38Å
59G94.3Very high95.1Very high0 Ų015.8 Ų15.80%09%0.091CC..Hα-helixtrans-65.5-37.2178.300000113.4C55 S56 N63 G64C55-G59 PolarHBondContact O-N 2.84Å; S56-G59 PolarHBondContact O-N 2.7Å; G59-N63 WeakPolarHBondContact O-CA 3.21Å; G59-N63 WeakPolarHBondContact O-CB 3.29Å; G59-N63 PolarHBondContact O-N 3.42Å; G59-G64 PolarHBondContact O-N 3.47Å
60L95.9Very high95.1Very high28 Ų2812.2 Ų12.215%0.1477%0.069CC..Iπ-helixtrans-56.4-53.8173.9177.8101.9000110.8S56 I57 G64 L65 G235 I238 G239 A284S56-L60 WeakPolarHBondContact O-CB 3.21Å; S56-L60 PolarHBondContact O-N 2.66Å; I57-L60 WeakPolarHBondContact O-CB 3.38Å; I57-L60 PolarHBondContact O-N 2.97Å; L60-G64 CarbonylContact O-C 3.56Å; L60-G64 WeakPolarHBondContact O-CA 3.48Å; L60-G64 PolarHBondContact O-N 2.82Å; L60-L65 HydrophobicContact CD2-CD1 4.26Å; L60-L65 HydrophobicContact CG-CD1 4.35Å; L60-L65 HydrophobicContact CG-CG 4.4Å; L60-L65 WeakPolarHBondContact O-CG 3.41Å; L60-L65 PolarHBondContact O-N 3.1Å; L60-G235 VanDerWaalsContact CA-O 3.27Å; L60-G235 WeakPolarHBondContact CA-O 3.29Å; L60-I238 VanDerWaalsContact CD1-C 3.49Å; L60-I238 HydrophobicContact CD1-CB 3.63Å; L60-I238 HydrophobicContact CD1-CG2 3.4Å; L60-G239 VanDerWaalsContact CD1-CA 3.47Å; L60-G239 VanDerWaalsContact CD1-N 3.25Å; L60-A284 HydrophobicContact CD2-CB 3.52Å
61I97.1Very high94.9Very high0 Ų011.1 Ų11.10%06%0.064CC..Iπ-helixtrans-69.3-56.1-175.3-67159.8000110.6I57 Q58 V66 M122 S126 F281 A284I57-I61 HydrophobicContact CG2-CD1 3.73Å; I57-I61 WeakPolarHBondContact O-CD1 3.41Å; I57-I61 WeakPolarHBondContact O-CG1 3.32Å; I57-I61 PolarHBondContact O-N 3.02Å; I57-I61 VanDerWaalsContact O-N 3.07Å; Q58-I61 PolarHBondContact O-N 3.39Å; I61-V66 WeakPolarHBondContact O-CG2 3.1Å; I61-V66 PolarHBondContact O-N 2.94Å; I61-V66 VanDerWaalsContact O-N 3.12Å; I61-M122 HydrophobicContact CD1-CE 4.13Å; I61-M122 HydrophobicContact CD1-CG 4.32Å; I61-S126 VanDerWaalsContact CD1-OG 3.27Å; I61-S126 WeakPolarHBondContact CD1-OG 3.44Å; I61-F281 HydrophobicContact CG2-CE1 4.3Å; I61-A284 HydrophobicContact CD1-CB 4.27Å; I61-A284 HydrophobicContact CG1-CB 3.86Å
62V94.3Very high94.8Very high13 Ų1311.2 Ų11.28%0.0796%0.064CC..Iπ-helixtrans-79.9-41.7-165.9-178.70000112.1Q58 P67 Y91Q58-V62 WeakPolarHBondContact O-CB 3.37Å; Q58-V62 WeakPolarHBondContact O-CG2 3.35Å; Q58-V62 PolarHBondContact O-N 3.37Å; V62-P67 WeakPolarHBondContact O-CD 3.33Å; V62-Y91 HydrophobicContact CB-CE2 4.49Å; V62-Y91 HydrophobicContact CG1-CD1 4.04Å; V62-Y91 HydrophobicContact CG1-CD2 4.14Å; V62-Y91 HydrophobicContact CG1-CE1 3.91Å; V62-Y91 HydrophobicContact CG1-CE2 4.07Å; V62-Y91 HydrophobicContact CG1-CG 4.14Å; V62-Y91 HydrophobicContact CG2-CD2 3.96Å; V62-Y91 HydrophobicContact CG2-CE2 3.66Å
63N93.2Very high94.6Very high79 Ų7911 Ų1142%0.4226%0.063SC..Iπ-helixtrans-104.4-8.6-172.2-63.7-20.2000113G59 P236 F240G59-N63 WeakPolarHBondContact O-CA 3.21Å; G59-N63 WeakPolarHBondContact O-CB 3.29Å; G59-N63 PolarHBondContact O-N 3.42Å; N63-P236 HydrophobicContact CB-CB 4.07Å; N63-P236 HydrophobicContact CB-CG 3.81Å; N63-F240 WeakPolarHBondContact O-CE2 3.27Å; N63-F240 WeakPolarHBondContact O-CZ 3.47Å
64G95.1Very high94.3Very high0 Ų09 Ų90%05%0.05CC..Iπ-helixtrans-110.9-71.4176.200000111.9G59 L60 V66 P67 S68G59-G64 PolarHBondContact O-N 3.47Å; L60-G64 CarbonylContact O-C 3.56Å; L60-G64 WeakPolarHBondContact O-CA 3.48Å; L60-G64 PolarHBondContact O-N 2.82Å; G64-V66 PolarHBondContact O-N 2.87Å; G64-P67 WeakPolarHBondContact O-CD 3.24Å; G64-S68 PolarHBondContact O-N 3.07Å; G64-S68 PolarHBondContact O-OG 2.81Å
65L96.8Very high93.8Very high5 Ų510.9 Ų10.93%0.0266%0.057CC..Iπ-helixtrans-64.6-43-171.2-63.7-177.1000113.8L60 S68 A69 G239 A243 S280 F281 A284L60-L65 HydrophobicContact CD2-CD1 4.26Å; L60-L65 HydrophobicContact CG-CD1 4.35Å; L60-L65 HydrophobicContact CG-CG 4.4Å; L60-L65 WeakPolarHBondContact O-CG 3.41Å; L60-L65 PolarHBondContact O-N 3.1Å; L65-S68 PolarHBondContact O-N 2.97Å; L65-A69 WeakPolarHBondContact O-CB 3.26Å; L65-A69 PolarHBondContact O-N 3.08Å; L65-G239 VanDerWaalsContact CD2-O 3.31Å; L65-G239 WeakPolarHBondContact CD2-O 3.22Å; L65-A243 HydrophobicContact CD2-CB 4.05Å; L65-S280 WeakPolarHBondContact CD1-O 3.37Å; L65-S280 VanDerWaalsContact CD2-CB 3.43Å; L65-F281 HydrophobicContact CB-CD1 4.35Å; L65-F281 HydrophobicContact CB-CE1 3.7Å; L65-F281 HydrophobicContact CB-CE2 4.17Å; L65-F281 HydrophobicContact CB-CZ 3.6Å; L65-F281 HydrophobicContact CD1-CD1 4.17Å; L65-F281 HydrophobicContact CD1-CE1 4.34Å; L65-F281 HydrophobicContact CD1-CG 4.45Å; L65-A284 HydrophobicContact CD1-CB 3.99Å
66V96Very high93.3Very high5 Ų512.4 Ų12.43%0.036%0.063CC..Hα-helixtrans-61.8-55.3-179.6168.30000111.4I61 G64 S68 A69 I70 V88 F129 F281I61-V66 WeakPolarHBondContact O-CG2 3.1Å; I61-V66 PolarHBondContact O-N 2.94Å; I61-V66 VanDerWaalsContact O-N 3.12Å; G64-V66 PolarHBondContact O-N 2.87Å; V66-S68 VanDerWaalsContact C-N 3.26Å; V66-S68 PolarHBondContact O-N 2.94Å; V66-A69 PolarHBondContact O-N 3.15Å; V66-I70 WeakPolarHBondContact O-CG1 3.28Å; V66-I70 PolarHBondContact O-N 2.91Å; V66-V88 HydrophobicContact CG1-CG2 3.86Å; V66-F129 HydrophobicContact CG2-CZ 4.43Å; V66-F281 HydrophobicContact CG2-CE1 3.84Å; V66-F281 HydrophobicContact CG2-CZ 3.87Å
67P95.1Very high92.9Very high6 Ų612.4 Ų12.44%0.0396%0.061CC..Hα-helixtrans-53.5-40.5173.9-29.936.2000113.5V62 G64 A69 F240 S407 S410V62-P67 WeakPolarHBondContact O-CD 3.33Å; G64-P67 WeakPolarHBondContact O-CD 3.24Å; P67-A69 VanDerWaalsContact C-N 3.29Å; P67-A69 PolarHBondContact O-N 3.25Å; P67-F240 HydrophobicContact CB-CE1 4.2Å; P67-F240 HydrophobicContact CB-CZ 4.03Å; P67-F240 HydrophobicContact CG-CZ 4.49Å; P67-S407 WeakPolarHBondContact CB-O 3.47Å; P67-S410 PolarHBondContact O-OG 3.34Å
68S95.6Very high92.3Very high1 Ų115.2 Ų15.21%0.0077%0.072CC..Hα-helixtrans-65.8-28.5178.6-62.30000114.2G64 L65 V66 F240 A243 N425G64-S68 PolarHBondContact O-N 3.07Å; G64-S68 PolarHBondContact O-OG 2.81Å; L65-S68 PolarHBondContact O-N 2.97Å; V66-S68 VanDerWaalsContact C-N 3.26Å; V66-S68 PolarHBondContact O-N 2.94Å; S68-F240 WeakPolarHBondContact OG-CD1 3.49Å; S68-F240 WeakPolarHBondContact OG-CE1 3.28Å; S68-A243 WeakPolarHBondContact OG-CB 3.32Å; S68-N425 WeakPolarHBondContact CA-OD1 3.46Å; S68-N425 WeakPolarHBondContact CB-OD1 3.3Å; S68-N425 PolarHBondContact OG-OD1 2.86Å
69A95Very high91.8Very high2 Ų215.2 Ų15.22%0.0177%0.072CC..Hα-helixtrans-89.8-13.6-174.200000114L65 V66 P67 S71 S72 I73 W277 F281L65-A69 WeakPolarHBondContact O-CB 3.26Å; L65-A69 PolarHBondContact O-N 3.08Å; V66-A69 PolarHBondContact O-N 3.15Å; P67-A69 VanDerWaalsContact C-N 3.29Å; P67-A69 PolarHBondContact O-N 3.25Å; A69-S71 PolarHBondContact O-N 3.37Å; A69-S72 PolarHBondContact O-N 3.04Å; A69-S72 VanDerWaalsContact O-N 3.09Å; A69-I73 HydrophobicContact CB-CD1 3.91Å; A69-I73 HydrophobicContact CB-CG1 4.38Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.94Å; A69-W277 HydrophobicContact CB-CB 3.89Å; A69-F281 HydrophobicContact CB-CE2 4.05Å; A69-F281 HydrophobicContact CB-CZ 4.45Å
70I93.4Very high91.5Very high1 Ų116.2 Ų16.21%0.0058%0.08CC..Hα-helixtrans-51.5-54.5-172.9-65.9179.8000111.7V66 S72 I73 E74 M84 S407 F408 K411V66-I70 WeakPolarHBondContact O-CG1 3.28Å; V66-I70 PolarHBondContact O-N 2.91Å; I70-S72 VanDerWaalsContact C-N 3.26Å; I70-S72 PolarHBondContact O-N 3.42Å; I70-I73 PolarHBondContact O-N 3.49Å; I70-E74 HydrophobicContact CG2-CG 4.27Å; I70-E74 VanDerWaalsContact CG2-OE1 3.32Å; I70-E74 WeakPolarHBondContact CG2-OE1 3.43Å; I70-E74 VanDerWaalsContact O-CG 3.28Å; I70-E74 WeakPolarHBondContact O-CG 3.45Å; I70-E74 PolarHBondContact O-N 3.4Å; I70-M84 HydrophobicContact CG2-CB 4.2Å; I70-M84 HydrophobicContact CG2-CG 4.27Å; I70-S407 WeakPolarHBondContact CD1-O 3.42Å; I70-F408 HydrophobicContact CD1-CD1 3.74Å; I70-F408 HydrophobicContact CD1-CE1 3.76Å; I70-F408 HydrophobicContact CG2-CD1 4.21Å; I70-F408 HydrophobicContact CG2-CE1 4.13Å; I70-K411 HydrophobicContact CG2-CD 4.36Å
71S90.4Very high91.2Very high0 Ų014.9 Ų14.90%07%0.073CC..Hα-helixtrans-60.6-35-177.258.70000112.7A69 R75 E414A69-S71 PolarHBondContact O-N 3.37Å; S71-R75 WeakPolarHBondContact O-CD 3.14Å; S71-R75 WeakPolarHBondContact O-CG 3.32Å; S71-R75 PolarHBondContact O-N 3.38Å; S71-E414 VanDerWaalsContact CB-OE2 3.26Å; S71-E414 WeakPolarHBondContact CB-OE2 3.41Å; S71-E414 PolarHBondContact OG-OE1 2.69Å; S71-E414 PolarHBondContact OG-OE2 3.48Å; S71-E414 VanDerWaalsContact OG-OE2 3.13Å
72S91.7Very high90.8Very high2 Ų216.2 Ų16.21%0.0148%0.082CC..Hα-helixtrans-73.9-41.5178.6-640000112.2A69 I70 R75 R76A69-S72 PolarHBondContact O-N 3.04Å; A69-S72 VanDerWaalsContact O-N 3.09Å; I70-S72 VanDerWaalsContact C-N 3.26Å; I70-S72 PolarHBondContact O-N 3.42Å; S72-R75 PolarHBondContact O-N 3.34Å; S72-R76 VanDerWaalsContact O-CB 3.27Å; S72-R76 WeakPolarHBondContact O-CB 3.4Å; S72-R76 PolarHBondContact O-N 3.38Å
73I91.3Very high90.6Very high1 Ų118.8 Ų18.81%0.0059%0.093CC..Hα-helixtrans-67.4-41.4178.3-65.3171.3000110.5A69 I70 R76 F77 F79 M84 F129 F190 W277A69-I73 HydrophobicContact CB-CD1 3.91Å; A69-I73 HydrophobicContact CB-CG1 4.38Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.94Å; I70-I73 PolarHBondContact O-N 3.49Å; I73-R76 PolarHBondContact O-N 2.95Å; I73-F77 HydrophobicContact CG2-CD2 3.87Å; I73-F77 HydrophobicContact CG2-CE2 4.45Å; I73-F77 PolarHBondContact O-N 2.99Å; I73-F79 HydrophobicContact CG2-CD2 4.11Å; I73-F79 HydrophobicContact CG2-CE2 4.37Å; I73-M84 HydrophobicContact CB-CE 4.1Å; I73-M84 HydrophobicContact CB-SD 4.35Å; I73-M84 HydrophobicContact CD1-CE 4.25Å; I73-M84 HydrophobicContact CG2-CE 3.72Å; I73-M84 HydrophobicContact CG2-SD 3.65Å; I73-F129 HydrophobicContact CD1-CE1 3.72Å; I73-F129 HydrophobicContact CD1-CZ 3.67Å; I73-F190 HydrophobicContact CD1-CE1 4.15Å; I73-F190 HydrophobicContact CD1-CZ 4.31Å; I73-F190 HydrophobicContact CG1-CZ 4.47Å; I73-F190 HydrophobicContact CG2-CE2 3.92Å; I73-F190 HydrophobicContact CG2-CZ 3.92Å; I73-W277 HydrophobicContact CD1-CD2 4.42Å; I73-W277 HydrophobicContact CD1-CE3 4.17Å; I73-W277 HydrophobicContact CD1-CZ3 4.34Å; I73-W277 HydrophobicContact CG1-CD2 3.99Å; I73-W277 HydrophobicContact CG1-CE3 4.24Å; I73-W277 HydrophobicContact CG1-CG 4.42Å; I73-W277 HydrophobicContact CG1-CZ2 4.38Å
74E88.2Confident90.5Very high12 Ų1215.2 Ų15.26%0.0567%0.074CC..Hα-helixtrans-58.2-49.1175-73.2172.717000111.9I70 R76 K78 F79 T81 M84 K411I70-E74 HydrophobicContact CG2-CG 4.27Å; I70-E74 VanDerWaalsContact CG2-OE1 3.32Å; I70-E74 WeakPolarHBondContact CG2-OE1 3.43Å; I70-E74 VanDerWaalsContact O-CG 3.28Å; I70-E74 WeakPolarHBondContact O-CG 3.45Å; I70-E74 PolarHBondContact O-N 3.4Å; E74-R76 VanDerWaalsContact C-N 3.32Å; E74-R76 PolarHBondContact O-N 3.47Å; E74-K78 CarbonylContact O-C 3.52Å; E74-K78 WeakPolarHBondContact O-CA 3.41Å; E74-K78 PolarHBondContact O-N 3.02Å; E74-F79 PolarHBondContact O-N 3.43Å; E74-T81 WeakPolarHBondContact OE1-CA 3.34Å; E74-T81 WeakPolarHBondContact OE1-CG2 3.37Å; E74-M84 HydrophobicContact CG-CG 3.47Å; E74-M84 VanDerWaalsContact CG-CG 3.47Å; E74-M84 HydrophobicContact CG-SD 4.49Å; E74-K411 IonicContact OE1-NZ 2.79Å; E74-K411 PolarHBondContact OE1-NZ 2.94Å; E74-K411 VanDerWaalsContact OE2-CE 3.28Å; E74-K411 WeakPolarHBondContact OE2-CE 3.33Å; E74-K411 IonicContact OE2-NZ 2.61Å; E74-K411 PolarHBondContact OE2-NZ 3.4Å
75R85Confident90.4Very high41 Ų4115.2 Ų15.216%0.1557%0.074CC..Hα-helixtrans-63.7-38.8178.7-70170.8-163.9-161.74111.9S71 S72 D270 P271 W273 V274 E414S71-R75 WeakPolarHBondContact O-CD 3.14Å; S71-R75 WeakPolarHBondContact O-CG 3.32Å; S71-R75 PolarHBondContact O-N 3.38Å; S72-R75 PolarHBondContact O-N 3.34Å; R75-D270 PolarHBondContact NH1-O 2.63Å; R75-P271 WeakPolarHBondContact CD-O 3.17Å; R75-W273 WeakPolarHBondContact CD-O 3.11Å; R75-W273 PolarHBondContact NH1-O 3.43Å; R75-V274 HydrophobicContact CB-CG2 4.03Å; R75-E414 IonicContact NH2-OE2 3.35Å
76R85.6Confident90.2Very high32 Ų3220.1 Ų20.112%0.1219%0.092CC..Hα-helixtrans-72.6-47.1-176.5177.454.8171.7145-3.1113.1S72 I73 E74 S136 D137 Y139 V274S72-R76 VanDerWaalsContact O-CB 3.27Å; S72-R76 WeakPolarHBondContact O-CB 3.4Å; S72-R76 PolarHBondContact O-N 3.38Å; I73-R76 PolarHBondContact O-N 2.95Å; E74-R76 VanDerWaalsContact C-N 3.32Å; E74-R76 PolarHBondContact O-N 3.47Å; R76-S136 PolarHBondContact NH2-OG 3.33Å; R76-D137 PolarHBondContact NH1-O 3.27Å; R76-D137 VanDerWaalsContact NH1-O 3.14Å; R76-D137 PolarHBondContact NH2-O 3.15Å; R76-Y139 VanDerWaalsContact NH1-CA 3.31Å; R76-V274 HydrophobicContact CB-CG1 4.12Å; R76-V274 HydrophobicContact CB-CG2 4.46Å
77F85.8Confident90.2Very high17 Ų1719.9 Ų19.98%0.0759%0.09CC..Hα-helixtrans-103.75.3-174.3-62.1-76.4000113.5I73 F79 P132 Y186 F190 W277I73-F77 HydrophobicContact CG2-CD2 3.87Å; I73-F77 HydrophobicContact CG2-CE2 4.45Å; I73-F77 PolarHBondContact O-N 2.99Å; F77-F79 HydrophobicContact CB-CD1 4.35Å; F77-F79 HydrophobicContact CB-CD2 3.83Å; F77-F79 HydrophobicContact CB-CE1 4.15Å; F77-F79 HydrophobicContact CB-CE2 3.62Å; F77-F79 HydrophobicContact CB-CG 4.2Å; F77-F79 HydrophobicContact CB-CZ 3.79Å; F77-F79 HydrophobicContact CD2-CE2 4.45Å; F77-F79 HydrophobicContact CG-CE2 4.18Å; F77-F79 HydrophobicContact CG-CZ 4.44Å; F77-F79 PolarHBondContact O-N 2.87Å; F77-P132 HydrophobicContact CE1-CB 4.13Å; F77-P132 HydrophobicContact CE2-CB 4.27Å; F77-P132 HydrophobicContact CZ-CB 3.57Å; F77-Y186 AromaticContact CD1-CD2 3.48Å; F77-Y186 HydrophobicContact CD1-CD2 3.48Å; F77-Y186 VanDerWaalsContact CD1-CD2 3.48Å; F77-Y186 HydrophobicContact CD1-CE2 4.09Å; F77-Y186 AromaticContact CD1-CG 3.88Å; F77-Y186 HydrophobicContact CD1-CG 3.88Å; F77-Y186 HydrophobicContact CE1-CD1 4.17Å; F77-Y186 AromaticContact CE1-CD2 3.59Å; F77-Y186 HydrophobicContact CE1-CD2 3.59Å; F77-Y186 HydrophobicContact CE1-CE1 4.49Å; F77-Y186 AromaticContact CE1-CE2 3.97Å; F77-Y186 HydrophobicContact CE1-CE2 3.97Å; F77-Y186 AromaticContact CE1-CG 3.72Å; F77-Y186 HydrophobicContact CE1-CG 3.72Å; F77-F190 AromaticContact CD2-CE2 3.93Å; F77-F190 HydrophobicContact CD2-CE2 3.93Å; F77-F190 HydrophobicContact CD2-CZ 4.2Å; F77-F190 AromaticContact CE2-CE2 3.84Å; F77-F190 HydrophobicContact CE2-CE2 3.84Å; F77-F190 AromaticContact CE2-CZ 3.74Å; F77-F190 HydrophobicContact CE2-CZ 3.74Å; F77-F190 HydrophobicContact CZ-CE2 4.42Å; F77-F190 HydrophobicContact CZ-CZ 4.4Å; F77-W277 HydrophobicContact CE2-CZ2 4.05Å
78K82.4Confident90.1Very high68 Ų6820.5 Ų20.530%0.2969%0.094SC..THydrogen-bonded Turntrans55.734.3-178.2-59.7179.8174.9-179.80113.3E74 D660E74-K78 CarbonylContact O-C 3.52Å; E74-K78 WeakPolarHBondContact O-CA 3.41Å; E74-K78 PolarHBondContact O-N 3.02Å; K78-D660 IonicContact NZ-OD1 2.63Å; K78-D660 PolarHBondContact NZ-OD1 3.32Å
79F86.3Confident90Very high6 Ų621.4 Ų21.43%0.02610%0.098CC..  trans-76.1146.5175.8-65.4-33.5000111.6I73 E74 F77 H83 M84 I87 F187 F190I73-F79 HydrophobicContact CG2-CD2 4.11Å; I73-F79 HydrophobicContact CG2-CE2 4.37Å; E74-F79 PolarHBondContact O-N 3.43Å; F77-F79 HydrophobicContact CB-CD1 4.35Å; F77-F79 HydrophobicContact CB-CD2 3.83Å; F77-F79 HydrophobicContact CB-CE1 4.15Å; F77-F79 HydrophobicContact CB-CE2 3.62Å; F77-F79 HydrophobicContact CB-CG 4.2Å; F77-F79 HydrophobicContact CB-CZ 3.79Å; F77-F79 HydrophobicContact CD2-CE2 4.45Å; F77-F79 HydrophobicContact CG-CE2 4.18Å; F77-F79 HydrophobicContact CG-CZ 4.44Å; F77-F79 PolarHBondContact O-N 2.87Å; F79-H83 HydrophobicContact CB-CB 4.19Å; F79-M84 HydrophobicContact CB-CG 4.31Å; F79-M84 HydrophobicContact CB-SD 4.12Å; F79-M84 HydrophobicContact CD2-SD 3.62Å; F79-M84 HydrophobicContact CG-SD 4.33Å; F79-I87 HydrophobicContact CD2-CD1 4.32Å; F79-I87 HydrophobicContact CE2-CD1 4.2Å; F79-F187 HydrophobicContact CE1-CB 4.23Å; F79-F187 HydrophobicContact CZ-CB 3.98Å; F79-F190 AromaticContact CE2-CD2 3.99Å; F79-F190 HydrophobicContact CE2-CD2 3.99Å; F79-F190 HydrophobicContact CE2-CE2 4.03Å
80S87.2Confident90.1Very high22 Ų2224.4 Ų24.415%0.15411%0.111CC..  trans-73.2163.3165.970.50000110.8S82 H83 M84S80-S82 VanDerWaalsContact C-N 3.31Å; S80-S82 PolarHBondContact O-N 2.83Å; S80-S82 PolarHBondContact OG-OG 3.05Å; S80-H83 WeakPolarHBondContact O-CB 3.37Å; S80-H83 PolarHBondContact O-N 2.83Å; S80-H83 VanDerWaalsContact O-N 3.16Å; S80-H83 PolarHBondContact OG-CD2 3.06Å; S80-H83 PolarHBondContact OG-N 3.39Å; S80-M84 PolarHBondContact O-N 3.48Å; S80-M84 VanDerWaalsContact O-N 3.16Å
81T90.5Very high90.2Very high0 Ų025.2 Ų25.20%011%0.114CC..Hα-helixtrans-68.3-36-179.6-32.80000111E74 H83 M84 G85 F408 K411 G647 F650 D651 Y672E74-T81 WeakPolarHBondContact OE1-CA 3.34Å; E74-T81 WeakPolarHBondContact OE1-CG2 3.37Å; T81-H83 VanDerWaalsContact C-N 3.32Å; T81-H83 PolarHBondContact O-N 3.4Å; T81-M84 PolarHBondContact O-N 3.24Å; T81-G85 PolarHBondContact O-N 3.15Å; T81-F408 HydrophobicContact CG2-CD1 3.93Å; T81-F408 HydrophobicContact CG2-CE1 3.54Å; T81-F408 HydrophobicContact CG2-CZ 4.25Å; T81-K411 HydrophobicContact CG2-CD 4.27Å; T81-K411 VanDerWaalsContact CG2-NZ 3.26Å; T81-K411 PolarHBondContact OG1-NZ 2.68Å; T81-G647 WeakPolarHBondContact CB-O 3Å; T81-F650 HydrophobicContact CG2-CB 3.72Å; T81-F650 HydrophobicContact CG2-CD2 3.78Å; T81-F650 HydrophobicContact CG2-CG 3.91Å; T81-F650 VanDerWaalsContact OG1-CB 3.31Å; T81-F650 WeakPolarHBondContact OG1-CB 3.37Å; T81-D651 WeakPolarHBondContact CB-OD1 3.43Å; T81-D651 PolarHBondContact N-OD1 2.99Å; T81-D651 PolarHBondContact OG1-OD1 3.02Å; T81-Y672 PolarHBondContact OG1-OH 3.24Å
82S88.9Confident90.4Very high28 Ų2825.8 Ų25.820%0.19612%0.117CC..Hα-helixtrans-63.6-34.7172.555.70000112.7S80 G85 R86 D651S80-S82 VanDerWaalsContact C-N 3.31Å; S80-S82 PolarHBondContact O-N 2.83Å; S80-S82 PolarHBondContact OG-OG 3.05Å; S82-G85 PolarHBondContact O-N 3.21Å; S82-R86 WeakPolarHBondContact O-CG 3.38Å; S82-R86 PolarHBondContact O-N 3.22Å; S82-D651 WeakPolarHBondContact CB-OD2 3.44Å; S82-D651 PolarHBondContact N-OD2 3.48Å; S82-D651 PolarHBondContact OG-OD2 3.46Å
83H88.8Confident90.6Very high67 Ų6729.9 Ų29.931%0.3114%0.135SC..Hα-helixtrans-63.4-44.3173.7-70.1-174.5000111.3F79 S80 T81 G85 R86 I87 F187F79-H83 HydrophobicContact CB-CB 4.19Å; S80-H83 WeakPolarHBondContact O-CB 3.37Å; S80-H83 PolarHBondContact O-N 2.83Å; S80-H83 VanDerWaalsContact O-N 3.16Å; S80-H83 PolarHBondContact OG-CD2 3.06Å; S80-H83 PolarHBondContact OG-N 3.39Å; T81-H83 VanDerWaalsContact C-N 3.32Å; T81-H83 PolarHBondContact O-N 3.4Å; H83-G85 VanDerWaalsContact C-N 3.35Å; H83-R86 PolarHBondContact CD2-NH2 3.34Å; H83-R86 PolarHBondContact NE2-NH2 3.31Å; H83-R86 WeakPolarHBondContact O-CB 3.28Å; H83-R86 PolarHBondContact O-N 3.39Å; H83-I87 PolarHBondContact O-N 2.87Å; H83-I87 VanDerWaalsContact O-N 3.09Å; H83-F187 HydrophobicContact CB-CE2 4.47Å
84M91.7Very high90.7Very high4 Ų429.9 Ų29.92%0.0214%0.135CC..Hα-helixtrans-62.5-41.5173.3-68.4-51.1-55.400112.3I70 I73 E74 F79 S80 T81 R86 I87 V88I70-M84 HydrophobicContact CG2-CB 4.2Å; I70-M84 HydrophobicContact CG2-CG 4.27Å; I73-M84 HydrophobicContact CB-CE 4.1Å; I73-M84 HydrophobicContact CB-SD 4.35Å; I73-M84 HydrophobicContact CD1-CE 4.25Å; I73-M84 HydrophobicContact CG2-CE 3.72Å; I73-M84 HydrophobicContact CG2-SD 3.65Å; E74-M84 HydrophobicContact CG-CG 3.47Å; E74-M84 VanDerWaalsContact CG-CG 3.47Å; E74-M84 HydrophobicContact CG-SD 4.49Å; F79-M84 HydrophobicContact CB-CG 4.31Å; F79-M84 HydrophobicContact CB-SD 4.12Å; F79-M84 HydrophobicContact CD2-SD 3.62Å; F79-M84 HydrophobicContact CG-SD 4.33Å; S80-M84 PolarHBondContact O-N 3.48Å; S80-M84 VanDerWaalsContact O-N 3.16Å; T81-M84 PolarHBondContact O-N 3.24Å; M84-R86 VanDerWaalsContact C-N 3.29Å; M84-R86 PolarHBondContact O-N 3.43Å; M84-I87 HydrophobicContact CE-CD1 4.25Å; M84-I87 WeakPolarHBondContact O-CB 3.27Å; M84-I87 PolarHBondContact O-N 3.47Å; M84-I87 VanDerWaalsContact O-N 3.13Å; M84-I87 HydrophobicContact SD-CD1 3.84Å; M84-V88 WeakPolarHBondContact O-CG2 3.37Å; M84-V88 PolarHBondContact O-N 2.93Å
85G92.4Very high91Very high0 Ų029.4 Ų29.40%013%0.133CC..Hα-helixtrans-55.2-43.317300000112.5T81 S82 H83 V88 Q89 P643T81-G85 PolarHBondContact O-N 3.15Å; S82-G85 PolarHBondContact O-N 3.21Å; H83-G85 VanDerWaalsContact C-N 3.35Å; G85-V88 PolarHBondContact O-N 3.48Å; G85-Q89 WeakPolarHBondContact O-CG 3.46Å; G85-Q89 PolarHBondContact O-N 3.29Å; G85-P643 WeakPolarHBondContact CA-O 3.49Å
86R93.4Very high91.3Very high107 Ų10729.3 Ų29.340%0.40414%0.137SC..Hα-helixtrans-63.9-40.6175.4-69.9-172.6-66.71753.8112.8S82 H83 M84 Q89 F90 F187 V644S82-R86 WeakPolarHBondContact O-CG 3.38Å; S82-R86 PolarHBondContact O-N 3.22Å; H83-R86 PolarHBondContact CD2-NH2 3.34Å; H83-R86 PolarHBondContact NE2-NH2 3.31Å; H83-R86 WeakPolarHBondContact O-CB 3.28Å; H83-R86 PolarHBondContact O-N 3.39Å; M84-R86 VanDerWaalsContact C-N 3.29Å; M84-R86 PolarHBondContact O-N 3.43Å; R86-Q89 PolarHBondContact O-N 3.37Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.19Å; R86-F187 HydrophobicContact CB-CZ 4.48Å; R86-V644 HydrophobicContact CB-CG2 4.31Å; R86-V644 HydrophobicContact CG-CG2 3.44Å; R86-V644 VanDerWaalsContact CG-CG2 3.44Å
87I94.8Very high91.6Very high0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-59.4-48.5177-73.6166000110.6F79 H83 M84 Q89 F90 F187 F190F79-I87 HydrophobicContact CD2-CD1 4.32Å; F79-I87 HydrophobicContact CE2-CD1 4.2Å; H83-I87 PolarHBondContact O-N 2.87Å; H83-I87 VanDerWaalsContact O-N 3.09Å; M84-I87 HydrophobicContact CE-CD1 4.25Å; M84-I87 WeakPolarHBondContact O-CB 3.27Å; M84-I87 PolarHBondContact O-N 3.47Å; M84-I87 VanDerWaalsContact O-N 3.13Å; M84-I87 HydrophobicContact SD-CD1 3.84Å; I87-Q89 PolarHBondContact O-N 3.44Å; I87-F90 PolarHBondContact O-N 3.21Å; I87-F90 VanDerWaalsContact O-N 3.15Å; I87-F187 HydrophobicContact CD1-CD2 3.76Å; I87-F187 HydrophobicContact CD1-CE2 4.04Å; I87-F187 HydrophobicContact CG1-CD2 3.83Å; I87-F187 HydrophobicContact CG1-CE2 3.66Å; I87-F187 HydrophobicContact CG1-CZ 4.42Å; I87-F190 HydrophobicContact CD1-CB 3.97Å; I87-F190 HydrophobicContact CD1-CD2 4.36Å; I87-F190 HydrophobicContact CD1-CG 4.48Å; I87-F190 HydrophobicContact CG1-CB 4.23Å; I87-F190 HydrophobicContact CG2-CB 3.66Å
88V93.9Very high91.8Very high19 Ų1934.4 Ų34.412%0.11517%0.166CC..Hα-helixtrans-60.2-33.5-177174.70000111.8V66 M84 G85 F90 Y91 P643V66-V88 HydrophobicContact CG1-CG2 3.86Å; M84-V88 WeakPolarHBondContact O-CG2 3.37Å; M84-V88 PolarHBondContact O-N 2.93Å; G85-V88 PolarHBondContact O-N 3.48Å; V88-F90 VanDerWaalsContact C-N 3.27Å; V88-F90 PolarHBondContact O-N 2.67Å; V88-Y91 WeakPolarHBondContact O-CB 3.49Å; V88-Y91 PolarHBondContact O-N 3.06Å; V88-P643 HydrophobicContact CB-CB 4.37Å; V88-P643 HydrophobicContact CG1-CB 4.42Å; V88-P643 HydrophobicContact CG1-CG 4.12Å
89Q94.2Very high91.9Very high20 Ų2031.3 Ų31.39%0.09315%0.153CC..Hα-helixtrans-64.8-23.3179.1-69.8170.4-2.700114.7G85 R86 I87 Y91 D92 F93 I640G85-Q89 WeakPolarHBondContact O-CG 3.46Å; G85-Q89 PolarHBondContact O-N 3.29Å; R86-Q89 PolarHBondContact O-N 3.37Å; I87-Q89 PolarHBondContact O-N 3.44Å; Q89-Y91 PolarHBondContact O-N 3.26Å; Q89-Y91 VanDerWaalsContact O-N 3.12Å; Q89-D92 PolarHBondContact O-N 3.13Å; Q89-F93 HydrophobicContact CB-CD2 4.35Å; Q89-F93 HydrophobicContact CB-CE2 4Å; Q89-F93 WeakPolarHBondContact O-CD2 3.2Å; Q89-F93 PolarHBondContact O-N 3.37Å; Q89-F93 VanDerWaalsContact O-N 3.09Å; Q89-I640 VanDerWaalsContact CG-O 3.23Å; Q89-I640 WeakPolarHBondContact CG-O 3.26Å; Q89-I640 PolarHBondContact NE2-O 3.42Å
90F95.8Very high91.7Very high65 Ų6534.5 Ų34.529%0.28517%0.17SC..Hα-helixtrans-60.6-24.4178.7-83.4-91.3000112.9R86 I87 V88 F93 G94 C191 H194 F195R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.19Å; I87-F90 PolarHBondContact O-N 3.21Å; I87-F90 VanDerWaalsContact O-N 3.15Å; V88-F90 VanDerWaalsContact C-N 3.27Å; V88-F90 PolarHBondContact O-N 2.67Å; F90-F93 HydrophobicContact CD1-CD2 4.49Å; F90-F93 HydrophobicContact CG-CD2 4.5Å; F90-F93 PolarHBondContact O-N 3.31Å; F90-G94 PolarHBondContact O-N 2.83Å; F90-C191 VanDerWaalsContact CB-O 3.27Å; F90-C191 WeakPolarHBondContact CB-O 3.36Å; F90-C191 HydrophobicContact CD1-CB 4.04Å; F90-C191 HydrophobicContact CD2-CB 3.57Å; F90-C191 WeakPolarHBondContact CD2-SG 3.49Å; F90-C191 HydrophobicContact CE1-CB 4.12Å; F90-C191 HydrophobicContact CE2-CB 3.66Å; F90-C191 WeakPolarHBondContact CE2-SG 3.31Å; F90-C191 HydrophobicContact CG-CB 3.77Å; F90-C191 HydrophobicContact CZ-CB 3.93Å; F90-H194 HydrophobicContact CB-CB 3.91Å; F90-F195 HydrophobicContact CB-CB 4.34Å; F90-F195 WeakPolarHBondContact O-CA 3.41Å
91Y96Very high91.4Very high18 Ų1835.9 Ų35.97%0.07118%0.178CC..Hα-helixtrans-58.2-48.7168.4171.4-101.5000112.4Q58 V62 V88 Q89 G94 Y95 H194 H197 G198 A201Q58-Y91 PolarHBondContact NE2-OH 3.09Å; V62-Y91 HydrophobicContact CB-CE2 4.49Å; V62-Y91 HydrophobicContact CG1-CD1 4.04Å; V62-Y91 HydrophobicContact CG1-CD2 4.14Å; V62-Y91 HydrophobicContact CG1-CE1 3.91Å; V62-Y91 HydrophobicContact CG1-CE2 4.07Å; V62-Y91 HydrophobicContact CG1-CG 4.14Å; V62-Y91 HydrophobicContact CG2-CD2 3.96Å; V62-Y91 HydrophobicContact CG2-CE2 3.66Å; V88-Y91 WeakPolarHBondContact O-CB 3.49Å; V88-Y91 PolarHBondContact O-N 3.06Å; Q89-Y91 PolarHBondContact O-N 3.26Å; Q89-Y91 VanDerWaalsContact O-N 3.12Å; Y91-G94 PolarHBondContact O-N 3.43Å; Y91-Y95 PolarHBondContact O-N 2.83Å; Y91-H194 VanDerWaalsContact CA-O 3.29Å; Y91-H194 WeakPolarHBondContact CA-O 3.33Å; Y91-H197 HydrophobicContact CD2-CB 3.9Å; Y91-H197 HydrophobicContact CE2-CB 4.46Å; Y91-G198 VanDerWaalsContact CD2-CA 3.43Å; Y91-G198 VanDerWaalsContact CD2-N 3.35Å; Y91-G198 WeakPolarHBondContact O-CA 3.16Å; Y91-A201 HydrophobicContact CE2-CB 3.71Å; Y91-A201 WeakPolarHBondContact OH-CB 3.44Å
92D94.6Very high91.1Very high12 Ų1237.2 Ų37.26%0.06419%0.186CC..Hα-helixtrans-70.1-37.1-179.7-72.4-37.4000111.9Q89 Y95 V96 R635 T639 I640Q89-D92 PolarHBondContact O-N 3.13Å; D92-Y95 PolarHBondContact O-N 2.89Å; D92-V96 WeakPolarHBondContact O-CB 3.21Å; D92-V96 WeakPolarHBondContact O-CG2 3.25Å; D92-V96 PolarHBondContact O-N 3.07Å; D92-R635 IonicContact OD1-CZ 3.83Å; D92-R635 IonicContact OD1-NE 3.49Å; D92-R635 IonicContact OD1-NH1 3.7Å; D92-R635 PolarHBondContact OD1-NH1 3.13Å; D92-T639 PolarHBondContact OD1-OG1 2.85Å; D92-T639 WeakPolarHBondContact OD2-CB 3.33Å; D92-T639 PolarHBondContact OD2-OG1 3.38Å; D92-I640 HydrophobicContact CB-CD1 4.15Å; D92-I640 HydrophobicContact CB-CG1 3.52Å
93F95Very high90.5Very high89 Ų8938.1 Ų38.139%0.3919%0.192SC..Hα-helixtrans-60.8-45.3174-70.7-53.8000112Q89 F90 Y95 L97 I640Q89-F93 HydrophobicContact CB-CD2 4.35Å; Q89-F93 HydrophobicContact CB-CE2 4Å; Q89-F93 WeakPolarHBondContact O-CD2 3.2Å; Q89-F93 PolarHBondContact O-N 3.37Å; Q89-F93 VanDerWaalsContact O-N 3.09Å; F90-F93 HydrophobicContact CD1-CD2 4.49Å; F90-F93 HydrophobicContact CG-CD2 4.5Å; F90-F93 PolarHBondContact O-N 3.31Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 3.26Å; F93-L97 VanDerWaalsContact O-CB 3.26Å; F93-L97 WeakPolarHBondContact O-CB 3.11Å; F93-L97 PolarHBondContact O-N 3.45Å; F93-L97 VanDerWaalsContact O-N 3.07Å; F93-I640 HydrophobicContact CD1-CD1 4.05Å; F93-I640 HydrophobicContact CE1-CD1 3.86Å; F93-I640 HydrophobicContact CE1-CG2 4.24Å; F93-I640 HydrophobicContact CZ-CD1 4.5Å; F93-I640 HydrophobicContact CZ-CG2 3.92Å
94G94.6Very high89.7Confident0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-60.6-41.1175.400000112.4F90 Y91 L98 F195F90-G94 PolarHBondContact O-N 2.83Å; Y91-G94 PolarHBondContact O-N 3.43Å; G94-L98 PolarHBondContact O-N 3.49Å; G94-F195 VanDerWaalsContact CA-CE2 3.45Å
95Y93.4Very high88.7Confident3 Ų340.2 Ų40.21%0.01220%0.2CC..Hα-helixtrans-66.6-51.8178.4-171-80.4000112.6Y91 D92 F93 L97 L98 C99 A201 T202 F205 R635Y91-Y95 PolarHBondContact O-N 2.83Å; D92-Y95 PolarHBondContact O-N 2.89Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 3.26Å; Y95-L97 VanDerWaalsContact C-N 3.3Å; Y95-L97 PolarHBondContact O-N 3.34Å; Y95-L98 PolarHBondContact O-N 3.22Å; Y95-C99 HydrophobicContact CD1-CB 4.24Å; Y95-C99 HydrophobicContact CE1-CB 4.13Å; Y95-C99 WeakPolarHBondContact O-CA 3.33Å; Y95-C99 WeakPolarHBondContact O-CB 3.3Å; Y95-C99 PolarHBondContact O-N 3.44Å; Y95-A201 HydrophobicContact CD2-CB 4.43Å; Y95-T202 WeakPolarHBondContact CA-OG1 3.4Å; Y95-F205 HydrophobicContact CE2-CD2 4.43Å; Y95-R635 VanDerWaalsContact CB-NH1 3.27Å; Y95-R635 VanDerWaalsContact CD1-CZ 3.44Å; Y95-R635 VanDerWaalsContact CD2-CZ 3.48Å; Y95-R635 VanDerWaalsContact CE2-NH2 3.27Å
96V92.4Very high87.6Confident39 Ų3940.4 Ų40.424%0.23620%0.202CC..Hα-helixtrans-60.8-41.7-178170.30000110.9D92 L98 I632 R635 V636D92-V96 WeakPolarHBondContact O-CB 3.21Å; D92-V96 WeakPolarHBondContact O-CG2 3.25Å; D92-V96 PolarHBondContact O-N 3.07Å; V96-L98 PolarHBondContact O-N 2.97Å; V96-I632 HydrophobicContact CG1-CG2 4.3Å; V96-R635 HydrophobicContact CG2-CB 3.9Å; V96-V636 HydrophobicContact CG1-CG2 4.43Å; V96-V636 HydrophobicContact CG2-CG2 4.39Å
97L91.3Very high86.1Confident110 Ų11036.5 Ų36.558%0.57620%0.195SC*.Hα-helixtrans-61.2-42.2179.9-177.367.7000112.4F93 Y95 F195F93-L97 VanDerWaalsContact O-CB 3.26Å; F93-L97 WeakPolarHBondContact O-CB 3.11Å; F93-L97 PolarHBondContact O-N 3.45Å; F93-L97 VanDerWaalsContact O-N 3.07Å; Y95-L97 VanDerWaalsContact C-N 3.3Å; Y95-L97 PolarHBondContact O-N 3.34Å; L97-F195 HydrophobicContact CD2-CE2 4.16Å; L97-F195 HydrophobicContact CD2-CZ 3.75Å
98L89.2Confident84.7Confident46 Ų4641.3 Ų41.324%0.24121%0.213CC..Hα-helixtrans-98.6-8.9-175.3-71.2-168.4000114.9G94 Y95 V96 I100 P101 V102 I199 T202G94-L98 PolarHBondContact O-N 3.49Å; Y95-L98 PolarHBondContact O-N 3.22Å; V96-L98 PolarHBondContact O-N 2.97Å; L98-I100 PolarHBondContact O-N 2.89Å; L98-P101 WeakPolarHBondContact O-CD 3.19Å; L98-V102 HydrophobicContact CB-CG2 3.97Å; L98-V102 WeakPolarHBondContact O-CB 3.37Å; L98-V102 VanDerWaalsContact O-CG2 3.27Å; L98-V102 WeakPolarHBondContact O-CG2 3.26Å; L98-V102 PolarHBondContact O-N 3.28Å; L98-I199 HydrophobicContact CD1-CB 3.82Å; L98-I199 HydrophobicContact CD1-CD1 3.82Å; L98-I199 HydrophobicContact CD1-CG1 3.45Å; L98-I199 VanDerWaalsContact CD1-CG1 3.45Å; L98-I199 HydrophobicContact CD1-CG2 3.47Å; L98-I199 VanDerWaalsContact CD1-CG2 3.47Å; L98-I199 HydrophobicContact CG-CG1 4.21Å; L98-T202 HydrophobicContact CB-CG2 4.27Å
99C85.6Confident83.7Confident2 Ų246.5 Ų46.51%0.01424%0.236CC..Hα-helixtrans-53.9-52.8-177.1-1750000112.7Y95 S103 T202 I632Y95-C99 HydrophobicContact CD1-CB 4.24Å; Y95-C99 HydrophobicContact CE1-CB 4.13Å; Y95-C99 WeakPolarHBondContact O-CA 3.33Å; Y95-C99 WeakPolarHBondContact O-CB 3.3Å; Y95-C99 PolarHBondContact O-N 3.44Å; C99-S103 WeakPolarHBondContact O-CB 3.4Å; C99-S103 PolarHBondContact O-N 3.34Å; C99-S103 PolarHBondContact O-OG 3.38Å; C99-T202 VanDerWaalsContact CA-CG2 3.48Å; C99-T202 HydrophobicContact CB-CG2 4.35Å; C99-I632 HydrophobicContact CB-CD1 4.28Å; C99-I632 HydrophobicContact CB-CG1 4.33Å
100I80.8Confident83.1Confident74 Ų7447 Ų4738%0.37924%0.241SC..Hα-helixtrans-68.9-52-179-60.5172.8000111.3L98 V102 S103 Y104 I632L98-I100 PolarHBondContact O-N 2.89Å; I100-V102 PolarHBondContact O-N 2.93Å; I100-S103 PolarHBondContact O-N 3.37Å; I100-Y104 VanDerWaalsContact O-CB 3.32Å; I100-Y104 WeakPolarHBondContact O-CB 3.46Å; I100-Y104 PolarHBondContact O-N 3.39Å; I100-I632 HydrophobicContact CD1-CD1 4.16Å; I100-I632 HydrophobicContact CG1-CD1 3.93Å
101P81.9Confident82.6Confident51 Ų5144.7 Ų44.733%0.33123%0.231SC..Hα-helixtrans-56.2-46.9178-26.133.3000113.4L98 Y104 F105L98-P101 WeakPolarHBondContact O-CD 3.19Å; P101-Y104 PolarHBondContact O-N 2.9Å; P101-F105 HydrophobicContact CB-CD2 4.24Å; P101-F105 WeakPolarHBondContact O-CB 3.44Å; P101-F105 WeakPolarHBondContact O-CD2 3.44Å; P101-F105 PolarHBondContact O-N 2.84Å
102V83.8Confident82.3Confident27 Ų2743.8 Ų43.816%0.16423%0.228CC..Hα-helixtrans-68.1-44.1-177.9171.30000111L98 I100 Y104 G106 V114 T202 P203 I207L98-V102 HydrophobicContact CB-CG2 3.97Å; L98-V102 WeakPolarHBondContact O-CB 3.37Å; L98-V102 VanDerWaalsContact O-CG2 3.27Å; L98-V102 WeakPolarHBondContact O-CG2 3.26Å; L98-V102 PolarHBondContact O-N 3.28Å; I100-V102 PolarHBondContact O-N 2.93Å; V102-Y104 PolarHBondContact O-N 3.47Å; V102-G106 WeakPolarHBondContact O-CA 3.29Å; V102-G106 PolarHBondContact O-N 2.87Å; V102-V114 HydrophobicContact CG1-CG1 4.32Å; V102-T202 HydrophobicContact CB-CG2 3.85Å; V102-T202 HydrophobicContact CG1-CG2 4.11Å; V102-T202 HydrophobicContact CG2-CG2 4.15Å; V102-P203 HydrophobicContact CG1-CB 3.79Å; V102-P203 HydrophobicContact CG1-CG 4.44Å; V102-I207 HydrophobicContact CG1-CD1 3.64Å; V102-I207 HydrophobicContact CG1-CG1 4.36Å
103S76.7Confident82.1Confident47 Ų4745.5 Ų45.533%0.32924%0.243SC..Hα-helixtrans-58.5-38.8177.4-61.10000112C99 I100 T206C99-S103 WeakPolarHBondContact O-CB 3.4Å; C99-S103 PolarHBondContact O-N 3.34Å; C99-S103 PolarHBondContact O-OG 3.38Å; I100-S103 PolarHBondContact O-N 3.37Å; S103-T206 VanDerWaalsContact OG-CB 3.28Å; S103-T206 WeakPolarHBondContact OG-CB 3.4Å; S103-T206 WeakPolarHBondContact OG-CG2 3.29Å
104Y71.5Confident81.9Confident38 Ų3842.9 Ų42.915%0.14923%0.234CC..Hα-helixtrans-86-47.5-174.6172.7-91.2000113.8I100 P101 V102 R108 D371 V372 I375I100-Y104 VanDerWaalsContact O-CB 3.32Å; I100-Y104 WeakPolarHBondContact O-CB 3.46Å; I100-Y104 PolarHBondContact O-N 3.39Å; P101-Y104 PolarHBondContact O-N 2.9Å; V102-Y104 PolarHBondContact O-N 3.47Å; Y104-R108 PolarHBondContact O-NH1 2.83Å; Y104-R108 PolarHBondContact OH-NH2 3.49Å; Y104-D371 HydrophobicContact CE2-CB 4.28Å; Y104-D371 WeakPolarHBondContact OH-CB 3.49Å; Y104-V372 HydrophobicContact CE1-CG2 4.15Å; Y104-I375 HydrophobicContact CD2-CD1 3.78Å; Y104-I375 HydrophobicContact CE2-CD1 3.93Å; Y104-I375 HydrophobicContact CG-CD1 4.34Å
105F71.8Confident81.9Confident77 Ų7742.9 Ų42.934%0.33823%0.234SC..Hα-helixtrans-79.1-37.1179.6-69-66.3000111.6P101 G107 R108 H109 I368P101-F105 HydrophobicContact CB-CD2 4.24Å; P101-F105 WeakPolarHBondContact O-CB 3.44Å; P101-F105 WeakPolarHBondContact O-CD2 3.44Å; P101-F105 PolarHBondContact O-N 2.84Å; F105-G107 VanDerWaalsContact C-N 3.25Å; F105-G107 PolarHBondContact O-N 3.15Å; F105-R108 PolarHBondContact O-N 2.95Å; F105-H109 PolarHBondContact O-CD2 2.63Å; F105-H109 VanDerWaalsContact O-CD2 3.31Å; F105-H109 PolarHBondContact O-N 3.02Å; F105-I368 HydrophobicContact CE1-CD1 4.28Å; F105-I368 HydrophobicContact CE1-CG1 4.15Å; F105-I368 HydrophobicContact CE1-CG2 4.37Å; F105-I368 HydrophobicContact CZ-CD1 4.47Å; F105-I368 HydrophobicContact CZ-CG2 4.03Å
106G68.1Low82Confident4 Ų443 Ų434%0.04124%0.236CC..Hα-helixtrans-67.6-25.1-177.800000113.8V102 R108 H109V102-G106 WeakPolarHBondContact O-CA 3.29Å; V102-G106 PolarHBondContact O-N 2.87Å; G106-R108 VanDerWaalsContact C-N 3.27Å; G106-R108 PolarHBondContact O-N 2.99Å; G106-H109 PolarHBondContact O-N 2.98Å
107G62.6Low82.1Confident25 Ų2544 Ų4426%0.25825%0.248SC..THydrogen-bonded Turntrans-67.1-23170.100000114.5F105F105-G107 VanDerWaalsContact C-N 3.25Å; F105-G107 PolarHBondContact O-N 3.15Å
108R66.1Low82.3Confident102 Ų10239 Ų3939%0.38522%0.224SC..THydrogen-bonded Turntrans-91.6-17.9178.8-67.9-173.217679.4-5.5113.9Y104 F105 G106 D371Y104-R108 PolarHBondContact O-NH1 2.83Å; Y104-R108 PolarHBondContact OH-NH2 3.49Å; F105-R108 PolarHBondContact O-N 2.95Å; G106-R108 VanDerWaalsContact C-N 3.27Å; G106-R108 PolarHBondContact O-N 2.99Å; R108-D371 IonicContact CZ-OD2 2.63Å; R108-D371 IonicContact NE-OD2 3.86Å; R108-D371 VanDerWaalsContact NH2-CG 3.26Å; R108-D371 IonicContact NH2-OD2 3.84Å; R108-D371 PolarHBondContact NH2-OD2 3.41Å
109H72.1Confident82.7Confident128 Ų12836.9 Ų36.959%0.59321%0.213SC*.SBendtrans-97.1179.3176.7-72.2-71.4000110.6F105 G106 K111 V114F105-H109 PolarHBondContact O-CD2 2.63Å; F105-H109 VanDerWaalsContact O-CD2 3.31Å; F105-H109 PolarHBondContact O-N 3.02Å; G106-H109 PolarHBondContact O-N 2.98Å; H109-K111 PolarHBondContact O-N 3.35Å; H109-V114 HydrophobicContact CB-CG2 4.11Å
110S82.2Confident83.3Confident30 Ų3038.1 Ų38.121%0.2122%0.223CC..  trans-61.1104.8172.7-176.50000109.6P112 A113 V114S110-P112 VanDerWaalsContact C-N 3.33Å; S110-A113 WeakPolarHBondContact O-CA 3.41Å; S110-A113 WeakPolarHBondContact O-CB 3.43Å; S110-A113 PolarHBondContact O-N 2.61Å; S110-V114 PolarHBondContact O-N 3.28Å; S110-V114 VanDerWaalsContact O-N 3.08Å
111K85.1Confident84.1Confident16 Ų1635.9 Ų35.97%0.0721%0.213CC..Hα-helixtrans-51.8-45.8-178.8-63.3-175.2175.8-1640112.8H109 A113 V114 L115 I207 S210 Y211 E214H109-K111 PolarHBondContact O-N 3.35Å; K111-A113 VanDerWaalsContact C-N 3.3Å; K111-A113 PolarHBondContact O-N 3.07Å; K111-V114 PolarHBondContact O-N 3Å; K111-L115 WeakPolarHBondContact O-CG 3.37Å; K111-L115 PolarHBondContact O-N 2.87Å; K111-I207 HydrophobicContact CB-CG2 3.62Å; K111-I207 HydrophobicContact CD-CG2 4.01Å; K111-I207 HydrophobicContact CG-CG2 3.74Å; K111-S210 PolarHBondContact NZ-OG 3.3Å; K111-Y211 HydrophobicContact CB-CD2 4Å; K111-Y211 HydrophobicContact CB-CG 4.37Å; K111-Y211 HydrophobicContact CD-CD2 4.07Å; K111-E214 VanDerWaalsContact CE-OE2 3.28Å; K111-E214 WeakPolarHBondContact CE-OE2 3.26Å; K111-E214 IonicContact NZ-OE1 3.71Å; K111-E214 PolarHBondContact NZ-OE1 3.31Å; K111-E214 IonicContact NZ-OE2 3.68Å; K111-E214 PolarHBondContact NZ-OE2 3.44Å
112P89.5Confident84.8Confident0 Ų033.4 Ų33.40%020%0.198CC..Hα-helixtrans-62.4-33.1175.5-22.833.9000114.4S110 L115 A116 Y211 L298 P299S110-P112 VanDerWaalsContact C-N 3.33Å; P112-L115 PolarHBondContact O-N 3.38Å; P112-A116 VanDerWaalsContact O-CB 3.32Å; P112-A116 WeakPolarHBondContact O-CB 3.45Å; P112-A116 PolarHBondContact O-N 2.65Å; P112-Y211 HydrophobicContact CG-CE1 4.26Å; P112-Y211 HydrophobicContact CG-CE2 3.97Å; P112-L298 HydrophobicContact CB-CB 3.83Å; P112-L298 HydrophobicContact CG-CB 3.97Å; P112-P299 WeakPolarHBondContact CG-O 2.93Å
113A90.1Very high85.5Confident48 Ų4832.2 Ų32.240%0.39719%0.191SC..Hα-helixtrans-70.7-38.5178.500000111.7S110 K111 A116 A117S110-A113 WeakPolarHBondContact O-CA 3.41Å; S110-A113 WeakPolarHBondContact O-CB 3.43Å; S110-A113 PolarHBondContact O-N 2.61Å; K111-A113 VanDerWaalsContact C-N 3.3Å; K111-A113 PolarHBondContact O-N 3.07Å; A113-A116 PolarHBondContact O-N 2.83Å; A113-A117 WeakPolarHBondContact O-CB 3.4Å; A113-A117 PolarHBondContact O-N 3.46Å
114V91.6Very high86.5Confident33 Ų3333.8 Ų33.820%0.220%0.195CC..Hα-helixtrans-67.1-40.4175.4-176.90000110.6V102 H109 S110 K111 A117 G118 P203 I207V102-V114 HydrophobicContact CG1-CG1 4.32Å; H109-V114 HydrophobicContact CB-CG2 4.11Å; S110-V114 PolarHBondContact O-N 3.28Å; S110-V114 VanDerWaalsContact O-N 3.08Å; K111-V114 PolarHBondContact O-N 3Å; V114-A117 PolarHBondContact O-N 3.07Å; V114-G118 PolarHBondContact O-N 2.77Å; V114-P203 HydrophobicContact CG1-CB 4.11Å; V114-I207 HydrophobicContact CB-CD1 4.05Å; V114-I207 HydrophobicContact CG1-CD1 3.49Å; V114-I207 VanDerWaalsContact CG1-CD1 3.49Å
115L93.4Very high87.8Confident0 Ų032 Ų320%019%0.188CC..Hα-helixtrans-60.5-45.6172.8-73.6164.6000111.9L51 Y54 K111 P112 G118 L119 P203 I207 Y211 L295L51-L115 HydrophobicContact CD2-CD1 3.81Å; L51-L115 HydrophobicContact CD2-CD2 4.49Å; Y54-L115 HydrophobicContact CD1-CD2 4.43Å; Y54-L115 HydrophobicContact CE1-CD2 4.16Å; K111-L115 WeakPolarHBondContact O-CG 3.37Å; K111-L115 PolarHBondContact O-N 2.87Å; P112-L115 PolarHBondContact O-N 3.38Å; L115-G118 PolarHBondContact O-N 3.38Å; L115-L119 PolarHBondContact O-N 2.85Å; L115-P203 HydrophobicContact CD2-CB 4.24Å; L115-P203 VanDerWaalsContact CD2-O 3.28Å; L115-P203 WeakPolarHBondContact CD2-O 3.47Å; L115-I207 HydrophobicContact CG-CG2 4.43Å; L115-Y211 HydrophobicContact CD1-CD1 4.28Å; L115-L295 HydrophobicContact CB-CD2 4.13Å; L115-L295 HydrophobicContact CB-CG 4.4Å
116A95.4Very high89Confident5 Ų528.3 Ų28.34%0.04117%0.172CC..Hα-helixtrans-63.8-40.3176.700000112.8P112 A113 G118 L119 A120 V292 L295 A296P112-A116 VanDerWaalsContact O-CB 3.32Å; P112-A116 WeakPolarHBondContact O-CB 3.45Å; P112-A116 PolarHBondContact O-N 2.65Å; A113-A116 PolarHBondContact O-N 2.83Å; A116-G118 VanDerWaalsContact C-N 3.35Å; A116-L119 PolarHBondContact O-N 3.02Å; A116-A120 WeakPolarHBondContact O-CB 3.45Å; A116-A120 PolarHBondContact O-N 3.25Å; A116-V292 HydrophobicContact CB-CG1 4.23Å; A116-L295 HydrophobicContact CB-CB 4.47Å; A116-L295 HydrophobicContact CB-CD2 4.44Å; A116-L295 HydrophobicContact CB-CG 4.36Å; A116-A296 HydrophobicContact CB-CB 3.69Å
117A95.4Very high90.4Very high60 Ų6031.4 Ų31.450%0.49619%0.187SC..Hα-helixtrans-63.4-40.1173.800000112A113 V114 A120 C121A113-A117 WeakPolarHBondContact O-CB 3.4Å; A113-A117 PolarHBondContact O-N 3.46Å; V114-A117 PolarHBondContact O-N 3.07Å; A117-A120 PolarHBondContact O-N 2.58Å; A117-C121 WeakPolarHBondContact O-CB 3.44Å; A117-C121 PolarHBondContact O-N 2.94Å
118G96Very high92.1Very high6 Ų631.8 Ų31.86%0.06218%0.183CC..Hα-helixtrans-60.8-47.7173.200000112.5V114 L115 A116 A120 C121 M122 G200V114-G118 PolarHBondContact O-N 2.77Å; L115-G118 PolarHBondContact O-N 3.38Å; A116-G118 VanDerWaalsContact C-N 3.35Å; G118-A120 PolarHBondContact O-N 3.41Å; G118-C121 WeakPolarHBondContact O-CB 3.18Å; G118-C121 PolarHBondContact O-N 2.94Å; G118-M122 PolarHBondContact O-N 3.45Å; G118-G200 WeakPolarHBondContact O-CA 3.36Å
119L97.3Very high93.5Very high2 Ų227 Ų271%0.0117%0.165CC..Hα-helixtrans-63.1-41.1177.9175.657.6000111.8Y54 I57 L115 A116 C121 M122 A123 A291 V292 L295Y54-L119 HydrophobicContact CD1-CB 4.44Å; Y54-L119 HydrophobicContact CD2-CB 4.08Å; Y54-L119 HydrophobicContact CD2-CD1 3.59Å; Y54-L119 HydrophobicContact CD2-CD2 4.45Å; Y54-L119 HydrophobicContact CD2-CG 4.24Å; Y54-L119 HydrophobicContact CE1-CB 4.19Å; Y54-L119 HydrophobicContact CE2-CB 3.8Å; Y54-L119 HydrophobicContact CE2-CD1 3.75Å; Y54-L119 HydrophobicContact CE2-CG 4.31Å; Y54-L119 HydrophobicContact CG-CB 4.41Å; Y54-L119 HydrophobicContact CG-CD1 4.4Å; Y54-L119 HydrophobicContact CG-CD2 4.49Å; Y54-L119 PolarHBondContact OH-N 3.42Å; Y54-L119 VanDerWaalsContact OH-N 3.16Å; I57-L119 HydrophobicContact CD1-CD1 4.34Å; I57-L119 HydrophobicContact CG2-CD1 4.35Å; L115-L119 PolarHBondContact O-N 2.85Å; A116-L119 PolarHBondContact O-N 3.02Å; L119-C121 VanDerWaalsContact C-N 3.35Å; L119-C121 PolarHBondContact O-N 3.45Å; L119-M122 HydrophobicContact CD1-CE 4.06Å; L119-M122 PolarHBondContact O-N 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.28Å; L119-A123 PolarHBondContact O-N 3.14Å; L119-A291 HydrophobicContact CD2-CB 3.82Å; L119-V292 HydrophobicContact CB-CG2 4.21Å; L119-V292 HydrophobicContact CD2-CG2 4.07Å; L119-V292 HydrophobicContact CG-CG2 3.82Å; L119-L295 HydrophobicContact CB-CD2 4.27Å; L119-L295 HydrophobicContact CD2-CD2 3.88Å
120A97.9Very high94.6Very high28 Ų2821 Ų2123%0.23114%0.137CC..Hα-helixtrans-62.1-41.8175.100000112A116 A117 G118 A123 L124 V292A116-A120 WeakPolarHBondContact O-CB 3.45Å; A116-A120 PolarHBondContact O-N 3.25Å; A117-A120 PolarHBondContact O-N 2.58Å; G118-A120 PolarHBondContact O-N 3.41Å; A120-A123 PolarHBondContact O-N 3.5Å; A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 PolarHBondContact O-N 2.93Å; A120-V292 HydrophobicContact CB-CG1 4.34Å; A120-V292 HydrophobicContact CB-CG2 3.85Å
121C97.7Very high95.2Very high26 Ų2620.7 Ų20.718%0.17614%0.136CC..Hα-helixtrans-61.7-42.9175.2-171.30000111.7A117 G118 L119 L124 G125A117-C121 WeakPolarHBondContact O-CB 3.44Å; A117-C121 PolarHBondContact O-N 2.94Å; G118-C121 WeakPolarHBondContact O-CB 3.18Å; G118-C121 PolarHBondContact O-N 2.94Å; L119-C121 VanDerWaalsContact C-N 3.35Å; L119-C121 PolarHBondContact O-N 3.45Å; C121-L124 PolarHBondContact O-N 3.46Å; C121-G125 PolarHBondContact O-N 3.28Å
122M97.1Very high95.5Very high0 Ų019.9 Ų19.90%013%0.133CC..Hα-helixtrans-66.6-39.7177-163.1170.477.600112.6Y54 I57 Q58 I61 G118 L119 G125 S126 H197Y54-M122 HydrophobicContact CD2-CE 4.02Å; Y54-M122 HydrophobicContact CE2-CE 3.63Å; Y54-M122 HydrophobicContact CE2-SD 4.18Å; I57-M122 HydrophobicContact CB-CE 4.22Å; I57-M122 HydrophobicContact CG2-CE 3.72Å; Q58-M122 VanDerWaalsContact CA-CE 3.49Å; Q58-M122 HydrophobicContact CB-CE 3.79Å; Q58-M122 HydrophobicContact CB-SD 3.83Å; Q58-M122 HydrophobicContact CG-SD 4.03Å; I61-M122 HydrophobicContact CD1-CE 4.13Å; I61-M122 HydrophobicContact CD1-CG 4.32Å; G118-M122 PolarHBondContact O-N 3.45Å; L119-M122 HydrophobicContact CD1-CE 4.06Å; L119-M122 PolarHBondContact O-N 3.29Å; M122-G125 PolarHBondContact O-N 3.12Å; M122-S126 PolarHBondContact O-N 3.45Å; M122-S126 VanDerWaalsContact O-N 3.07Å; M122-S126 PolarHBondContact O-OG 3.41Å; M122-H197 PolarHBondContact O-CD2 2.62Å; M122-H197 VanDerWaalsContact O-CD2 3.3Å
123A98.1Very high95.5Very high2 Ų220.6 Ų20.62%0.01714%0.136CC..Hα-helixtrans-64.3-42175.100000111.4L119 A120 S126 L127 S285 F289L119-A123 WeakPolarHBondContact O-CB 3.28Å; L119-A123 PolarHBondContact O-N 3.14Å; A120-A123 PolarHBondContact O-N 3.5Å; A123-S126 PolarHBondContact O-N 3.47Å; A123-L127 PolarHBondContact O-N 3.4Å; A123-S285 WeakPolarHBondContact O-CB 3.35Å; A123-S285 PolarHBondContact O-OG 3.3Å; A123-F289 HydrophobicContact CB-CD1 4.1Å; A123-F289 HydrophobicContact CB-CD2 3.82Å; A123-F289 HydrophobicContact CB-CE1 4.01Å; A123-F289 HydrophobicContact CB-CE2 3.72Å; A123-F289 HydrophobicContact CB-CG 4Å; A123-F289 HydrophobicContact CB-CZ 3.83Å
124L98.2Very high95.4Very high80 Ų8024.4 Ų24.442%0.41915%0.148SC..Hα-helixtrans-62-45.2173.117862.4000111.8A120 C121 S126 L127 I128 F289A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 PolarHBondContact O-N 2.93Å; C121-L124 PolarHBondContact O-N 3.46Å; L124-S126 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.88Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L124-I128 HydrophobicContact CD1-CD1 4.12Å; L124-I128 HydrophobicContact CD1-CG1 4.39Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 WeakPolarHBondContact O-CG1 3.24Å; L124-I128 PolarHBondContact O-N 3.28Å; L124-F289 HydrophobicContact CB-CZ 4.27Å
125G98.1Very high95.3Very high0 Ų027.7 Ų27.70%016%0.163CC..Hα-helixtrans-54.9-38.2174.400000112.2C121 M122 I128 F129 A193C121-G125 PolarHBondContact O-N 3.28Å; M122-G125 PolarHBondContact O-N 3.12Å; G125-I128 PolarHBondContact O-N 3.47Å; G125-F129 WeakPolarHBondContact O-CB 3.48Å; G125-F129 PolarHBondContact O-N 3.31Å; G125-A193 WeakPolarHBondContact O-CB 3.28Å
126S97.8Very high94.9Very high0 Ų028.5 Ų28.50%017%0.168CC..Hα-helixtrans-70.3-34.5178.7-54.30000113.4I61 M122 A123 L124 F129 S130 H197I61-S126 VanDerWaalsContact CD1-OG 3.27Å; I61-S126 WeakPolarHBondContact CD1-OG 3.44Å; M122-S126 PolarHBondContact O-N 3.45Å; M122-S126 VanDerWaalsContact O-N 3.07Å; M122-S126 PolarHBondContact O-OG 3.41Å; A123-S126 PolarHBondContact O-N 3.47Å; L124-S126 PolarHBondContact O-N 3.32Å; S126-F129 PolarHBondContact O-N 3.02Å; S126-S130 PolarHBondContact O-N 3.38Å; S126-H197 WeakPolarHBondContact CA-NE2 3.49Å; S126-H197 PolarHBondContact N-NE2 3.11Å; S126-H197 PolarHBondContact OG-NE2 3.42Å
127L96.9Very high94.2Very high68 Ų6835 Ų3536%0.35620%0.203SC..Hα-helixtrans-65.8-45.7170.9-70.5177.4000111.3A123 L124 F129 S130 A131 S285 F289A123-L127 PolarHBondContact O-N 3.4Å; L124-L127 PolarHBondContact O-N 2.88Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L127-F129 VanDerWaalsContact C-N 3.25Å; L127-F129 PolarHBondContact O-N 3.03Å; L127-S130 PolarHBondContact O-N 3.32Å; L127-S130 VanDerWaalsContact O-N 3.07Å; L127-S130 PolarHBondContact O-OG 3.35Å; L127-A131 PolarHBondContact O-N 3.13Å; L127-A131 VanDerWaalsContact O-N 3.14Å; L127-S285 WeakPolarHBondContact CG-OG 3.16Å; L127-F289 HydrophobicContact CD1-CE2 3.68Å; L127-F289 HydrophobicContact CD1-CZ 4.38Å; L127-F289 HydrophobicContact CG-CE2 4.36Å
128I97.2Very high93.4Very high34 Ų3433.7 Ų33.717%0.17419%0.19CC..Hα-helixtrans-62.6-37.2178.4-64167.7000110.2L124 G125 S130 A131 P132 L189 F192 A193 L196L124-I128 HydrophobicContact CD1-CD1 4.12Å; L124-I128 HydrophobicContact CD1-CG1 4.39Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 WeakPolarHBondContact O-CG1 3.24Å; L124-I128 PolarHBondContact O-N 3.28Å; G125-I128 PolarHBondContact O-N 3.47Å; I128-S130 PolarHBondContact O-N 3.02Å; I128-A131 VanDerWaalsContact O-CB 3.26Å; I128-A131 WeakPolarHBondContact O-CB 3.23Å; I128-A131 PolarHBondContact O-N 3.25Å; I128-P132 WeakPolarHBondContact O-CD 3.29Å; I128-L189 HydrophobicContact CG2-CD2 3.69Å; I128-L189 HydrophobicContact CG2-CG 4.47Å; I128-L189 WeakPolarHBondContact O-CD2 3.5Å; I128-F192 HydrophobicContact CD1-CD1 4.3Å; I128-F192 HydrophobicContact CD1-CE1 3.96Å; I128-F192 HydrophobicContact CG2-CD1 4.28Å; I128-A193 HydrophobicContact CB-CB 4.18Å; I128-A193 HydrophobicContact CG2-CB 3.96Å; I128-L196 HydrophobicContact CD1-CD1 3.52Å
129F96.6Very high92.6Very high1 Ų134.9 Ų34.90%0.00419%0.192CC..Hα-helixtrans-60.2-33.7175.1-163.2-88.6000112.5V66 I73 G125 S126 L127 P132 F190 A193 H194 W277 F281V66-F129 HydrophobicContact CG2-CZ 4.43Å; I73-F129 HydrophobicContact CD1-CE1 3.72Å; I73-F129 HydrophobicContact CD1-CZ 3.67Å; G125-F129 WeakPolarHBondContact O-CB 3.48Å; G125-F129 PolarHBondContact O-N 3.31Å; S126-F129 PolarHBondContact O-N 3.02Å; L127-F129 VanDerWaalsContact C-N 3.25Å; L127-F129 PolarHBondContact O-N 3.03Å; F129-P132 WeakPolarHBondContact O-CD 3.28Å; F129-F190 HydrophobicContact CD1-CD1 4.38Å; F129-F190 HydrophobicContact CD1-CE1 4.18Å; F129-F190 AromaticContact CD2-CD1 3.72Å; F129-F190 HydrophobicContact CD2-CD1 3.72Å; F129-F190 HydrophobicContact CD2-CE1 4.33Å; F129-F190 HydrophobicContact CE1-CD1 4.21Å; F129-F190 AromaticContact CE1-CE1 3.96Å; F129-F190 HydrophobicContact CE1-CE1 3.96Å; F129-F190 AromaticContact CE2-CD1 3.51Å; F129-F190 HydrophobicContact CE2-CD1 3.51Å; F129-F190 HydrophobicContact CE2-CE1 4.1Å; F129-F190 HydrophobicContact CE2-CG 4.45Å; F129-F190 HydrophobicContact CG-CD1 4.15Å; F129-F190 HydrophobicContact CG-CE1 4.35Å; F129-F190 AromaticContact CZ-CD1 3.78Å; F129-F190 HydrophobicContact CZ-CD1 3.78Å; F129-F190 AromaticContact CZ-CE1 3.91Å; F129-F190 HydrophobicContact CZ-CE1 3.91Å; F129-F190 VanDerWaalsContact O-CE1 3.31Å; F129-F190 WeakPolarHBondContact O-CE1 3.15Å; F129-A193 HydrophobicContact CB-CB 3.85Å; F129-A193 HydrophobicContact CD2-CB 3.95Å; F129-A193 HydrophobicContact CG-CB 4.4Å; F129-H194 AromaticContact CD2-CD2 3.93Å; F129-H194 AromaticContact CE2-CD2 3.44Å; F129-H194 VanDerWaalsContact CE2-CD2 3.44Å; F129-H194 WeakPolarHBondContact CE2-CD2 3.37Å; F129-H194 AromaticContact CE2-NE2 3.35Å; F129-H194 VanDerWaalsContact CE2-NE2 3.35Å; F129-H194 WeakPolarHBondContact CE2-NE2 3.21Å; F129-W277 HydrophobicContact CD1-CE3 4.47Å; F129-W277 AromaticContact CD1-CZ3 3.87Å; F129-W277 HydrophobicContact CD1-CZ3 3.87Å; F129-W277 HydrophobicContact CE1-CE3 4.19Å; F129-W277 AromaticContact CE1-CZ3 3.85Å; F129-W277 HydrophobicContact CE1-CZ3 3.85Å; F129-W277 WeakPolarHBondContact O-CH2 3.12Å; F129-W277 WeakPolarHBondContact O-CZ3 3.37Å; F129-F281 AromaticContact CD1-CD1 3.88Å; F129-F281 HydrophobicContact CD1-CD1 3.88Å; F129-F281 AromaticContact CD1-CD2 3.81Å; F129-F281 HydrophobicContact CD1-CD2 3.81Å; F129-F281 AromaticContact CD1-CE1 3.73Å; F129-F281 HydrophobicContact CD1-CE1 3.73Å; F129-F281 AromaticContact CD1-CE2 3.67Å; F129-F281 HydrophobicContact CD1-CE2 3.67Å; F129-F281 AromaticContact CD1-CG 3.92Å; F129-F281 HydrophobicContact CD1-CG 3.92Å; F129-F281 AromaticContact CD1-CZ 3.61Å; F129-F281 HydrophobicContact CD1-CZ 3.61Å; F129-F281 HydrophobicContact CE1-CD2 4.1Å; F129-F281 AromaticContact CE1-CE1 3.95Å; F129-F281 HydrophobicContact CE1-CE1 3.95Å; F129-F281 AromaticContact CE1-CE2 3.5Å; F129-F281 HydrophobicContact CE1-CE2 3.5Å; F129-F281 VanDerWaalsContact CE1-CE2 3.5Å; F129-F281 AromaticContact CE1-CZ 3.4Å; F129-F281 HydrophobicContact CE1-CZ 3.4Å; F129-F281 HydrophobicContact CG-CD1 4.41Å; F129-F281 HydrophobicContact CG-CE1 4.32Å; F129-F281 HydrophobicContact CZ-CZ 4.21Å
130S95.6Very high91.5Very high3 Ų334.9 Ų34.92%0.02119%0.193CC..Hα-helixtrans-82.2-14.5175.366.70000114.6S126 L127 I128 P132 H133S126-S130 PolarHBondContact O-N 3.38Å; L127-S130 PolarHBondContact O-N 3.32Å; L127-S130 VanDerWaalsContact O-N 3.07Å; L127-S130 PolarHBondContact O-OG 3.35Å; I128-S130 PolarHBondContact O-N 3.02Å; S130-P132 VanDerWaalsContact C-CD 3.49Å; S130-H133 PolarHBondContact O-N 3.38Å
131A93.5Very high89.8Confident22 Ų2235.2 Ų35.218%0.18220%0.195CC..Hα-helixtrans-61.8-37.3-174.300000114.9L127 I128 H133 I134 M135 L189L127-A131 PolarHBondContact O-N 3.13Å; L127-A131 VanDerWaalsContact O-N 3.14Å; I128-A131 VanDerWaalsContact O-CB 3.26Å; I128-A131 WeakPolarHBondContact O-CB 3.23Å; I128-A131 PolarHBondContact O-N 3.25Å; A131-H133 PolarHBondContact O-N 3.21Å; A131-H133 VanDerWaalsContact O-N 3.13Å; A131-I134 PolarHBondContact O-N 2.9Å; A131-M135 WeakPolarHBondContact O-CG 3.44Å; A131-M135 PolarHBondContact O-N 3.45Å; A131-L189 HydrophobicContact CB-CD2 3.9Å
132P92.2Very high88.3Confident0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-56.2-30.6177.5-29.638.1000113.9F77 I128 F129 S130 S136 Y186 L189 F190F77-P132 HydrophobicContact CE1-CB 4.13Å; F77-P132 HydrophobicContact CE2-CB 4.27Å; F77-P132 HydrophobicContact CZ-CB 3.57Å; I128-P132 WeakPolarHBondContact O-CD 3.29Å; F129-P132 WeakPolarHBondContact O-CD 3.28Å; S130-P132 VanDerWaalsContact C-CD 3.49Å; P132-S136 VanDerWaalsContact O-CB 3.28Å; P132-S136 WeakPolarHBondContact O-CB 3.44Å; P132-S136 PolarHBondContact O-N 3.16Å; P132-S136 VanDerWaalsContact O-N 3.13Å; P132-S136 PolarHBondContact O-OG 2.94Å; P132-Y186 HydrophobicContact CB-CD1 3.83Å; P132-Y186 HydrophobicContact CB-CG 4.39Å; P132-L189 HydrophobicContact CG-CB 4.3Å; P132-L189 HydrophobicContact CG-CD2 3.97Å; P132-F190 HydrophobicContact CB-CE2 4.09Å; P132-F190 HydrophobicContact CB-CZ 3.88Å; P132-F190 HydrophobicContact CG-CD1 4.37Å; P132-F190 HydrophobicContact CG-CD2 4.4Å; P132-F190 HydrophobicContact CG-CE1 3.96Å; P132-F190 HydrophobicContact CG-CE2 3.97Å; P132-F190 HydrophobicContact CG-CZ 3.74Å
133H89.5Confident86.8Confident14 Ų1439.6 Ų39.67%0.06522%0.222CC..Hα-helixtrans-66-46174.4-178.741.2000111.6S130 A131 M135 S136 T251 D252 W277 W278S130-H133 PolarHBondContact O-N 3.38Å; A131-H133 PolarHBondContact O-N 3.21Å; A131-H133 VanDerWaalsContact O-N 3.13Å; H133-M135 VanDerWaalsContact C-N 3.27Å; H133-M135 PolarHBondContact O-N 3.28Å; H133-S136 PolarHBondContact O-N 2.97Å; H133-S136 PolarHBondContact O-OG 3.22Å; H133-T251 PolarHBondContact CE1-OG1 3.38Å; H133-D252 IonicContact CE1-OD1 2.7Å; H133-W277 HydrophobicContact CB-CH2 4.37Å; H133-W277 HydrophobicContact CB-CZ2 3.98Å; H133-W278 HydrophobicContact CB-CB 4.23Å; H133-W278 HydrophobicContact CB-CG 4.23Å; H133-W278 AromaticContact CD2-CD1 3.06Å; H133-W278 AromaticContact CD2-CD2 3.56Å; H133-W278 AromaticContact CD2-CE2 3.35Å; H133-W278 AromaticContact CD2-CG 3.4Å; H133-W278 AromaticContact CD2-NE1 3.04Å; H133-W278 PolarHBondContact CD2-NE1 2.97Å; H133-W278 AromaticContact CG-CD1 3.57Å; H133-W278 AromaticContact CG-CG 3.98Å; H133-W278 AromaticContact CG-NE1 3.93Å; H133-W278 AromaticContact NE2-CD1 3.6Å; H133-W278 AromaticContact NE2-CE2 3.56Å; H133-W278 AromaticContact NE2-NE1 3.12Å; H133-W278 PolarHBondContact NE2-NE1 2.85Å; H133-W278 VanDerWaalsContact NE2-NE1 3.12Å
134I88.1Confident84.9Confident129 Ų12942.4 Ų42.466%0.66224%0.242SC*.Hα-helixtrans-66.5-32.2-179.2-54.6172.3000111.3A131A131-I134 PolarHBondContact O-N 2.9Å
135M89.4Confident82.7Confident102 Ų10245 Ų4550%0.50226%0.257SS..Hα-helixtrans-83.8-20.1-177.9-65.4176.469.500113.9A131 H133 L185 Y186 L189A131-M135 WeakPolarHBondContact O-CG 3.44Å; A131-M135 PolarHBondContact O-N 3.45Å; H133-M135 VanDerWaalsContact C-N 3.27Å; H133-M135 PolarHBondContact O-N 3.28Å; M135-L185 HydrophobicContact CE-CD2 4.27Å; M135-Y186 HydrophobicContact CB-CE1 4.29Å; M135-L189 HydrophobicContact SD-CD1 4.13Å
136S84.9Confident80.6Confident16 Ų1649.4 Ų49.411%0.11228%0.278CS..SBendtrans-95.7144.5-175.353.80000111.9R76 P132 H133R76-S136 PolarHBondContact NH2-OG 3.33Å; P132-S136 VanDerWaalsContact O-CB 3.28Å; P132-S136 WeakPolarHBondContact O-CB 3.44Å; P132-S136 PolarHBondContact O-N 3.16Å; P132-S136 VanDerWaalsContact O-N 3.13Å; P132-S136 PolarHBondContact O-OG 2.94Å; H133-S136 PolarHBondContact O-N 2.97Å; H133-S136 PolarHBondContact O-OG 3.22Å
137D81.3Confident78.5Confident143 Ų14354.7 Ų54.777%0.76532%0.315SS*.PPolyproline II helixtrans-63.9148.9178.1-61.5-51000112.4R76 Y139R76-D137 PolarHBondContact NH1-O 3.27Å; R76-D137 VanDerWaalsContact NH1-O 3.14Å; R76-D137 PolarHBondContact NH2-O 3.15Å; D137-Y139 PolarHBondContact O-N 3.46Å
138S78.2Confident76.7Confident32 Ų3255.7 Ų55.722%0.22432%0.317CS..PPolyproline II helixtrans-47.3127.7-177.4167.20000112.7A141 S142 D252 L256S138-A141 PolarHBondContact OG-N 3.46Å; S138-S142 PolarHBondContact O-N 3.37Å; S138-D252 PolarHBondContact OG-OD2 3.08Å; S138-L256 WeakPolarHBondContact OG-CD1 3.29Å
139Y78.8Confident74.9Confident31 Ų3155 Ų5512%0.12232%0.318CS..Hα-helixtrans-62.2-48.4-179.5178.7-103.1000111.5R76 D137 Q143 D252 T272 V274R76-Y139 VanDerWaalsContact NH1-CA 3.31Å; D137-Y139 PolarHBondContact O-N 3.46Å; Y139-Q143 PolarHBondContact O-N 2.89Å; Y139-D252 PolarHBondContact N-OD2 3.38Å; Y139-T272 WeakPolarHBondContact CE1-O 3.46Å; Y139-T272 PolarHBondContact OH-O 2.84Å; Y139-V274 HydrophobicContact CD1-CG2 4.17Å; Y139-V274 HydrophobicContact CE1-CG2 3.84Å; Y139-V274 HydrophobicContact CE2-CG2 4.19Å
140S73.7Confident73.3Confident2 Ų258.3 Ų58.31%0.01434%0.338CS..Hα-helixtrans-70-34.9-177.6-66.80000112.9Q143 S144 H250 D252S140-Q143 PolarHBondContact O-N 3.43Å; S140-S144 PolarHBondContact O-N 3.38Å; S140-S144 PolarHBondContact O-OG 2.87Å; S140-H250 PolarHBondContact OG-CE1 3.12Å; S140-D252 PolarHBondContact N-OD2 3.46Å
141A63.3Low71.8Confident35 Ų3559.1 Ų59.129%0.28934%0.343SS..Hα-helixtrans-67.7-39.7178.600000112.2S138 Q143 S144 N145S138-A141 PolarHBondContact OG-N 3.46Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-Q143 PolarHBondContact O-N 3.43Å; A141-S144 WeakPolarHBondContact CA-OG 3.45Å; A141-S144 PolarHBondContact O-N 3.14Å; A141-S144 PolarHBondContact O-OG 3.3Å; A141-N145 VanDerWaalsContact O-CG 3.29Å; A141-N145 PolarHBondContact O-N 2.96Å; A141-N145 PolarHBondContact O-ND2 3.24Å
142S65.5Low70.1Confident85 Ų8560.7 Ų60.759%0.59435%0.353SS*.Hα-helixtrans-62.2-42173.5174.10000111.2S138 N145S138-S142 PolarHBondContact O-N 3.37Å; S142-N145 PolarHBondContact O-N 2.57Å
143Q65.7Low68.2Low32 Ų3267.1 Ų67.115%0.1539%0.386CS..Hα-helixtrans-77.2-21.5-177.6-156.3172.240.900114.2Y139 S140 A141 V264 R527Y139-Q143 PolarHBondContact O-N 2.89Å; S140-Q143 PolarHBondContact O-N 3.43Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-Q143 PolarHBondContact O-N 3.43Å; Q143-V264 HydrophobicContact CB-CG1 4.09Å; Q143-V264 HydrophobicContact CG-CG1 4.27Å; Q143-R527 PolarHBondContact O-NH2 3.35Å
144S58.3Low66.4Low61 Ų6173.9 Ų73.943%0.42742%0.418SS..Hα-helixtrans-79.1-23.417558.30000113.9S140 A141 M146S140-S144 PolarHBondContact O-N 3.38Å; S140-S144 PolarHBondContact O-OG 2.87Å; A141-S144 WeakPolarHBondContact CA-OG 3.45Å; A141-S144 PolarHBondContact O-N 3.14Å; A141-S144 PolarHBondContact O-OG 3.3Å; S144-M146 VanDerWaalsContact C-N 3.35Å
145N51.9Low64.3Low136 Ų13674.1 Ų74.173%0.72742%0.416SS*.SBendtrans-84.3-9.6-177.3-69.4-8.8000113.4A141 S142 S147A141-N145 VanDerWaalsContact O-CG 3.29Å; A141-N145 PolarHBondContact O-N 2.96Å; A141-N145 PolarHBondContact O-ND2 3.24Å; S142-N145 PolarHBondContact O-N 2.57Å; N145-S147 PolarHBondContact O-N 3.16Å
146M55.3Low62.4Low92 Ų9276.2 Ų76.245%0.45343%0.428SS..SBendtrans-73.7120.9176.8-154.3121.772.100109.6S144 F148S144-M146 VanDerWaalsContact C-N 3.35Å; M146-F148 WeakPolarHBondContact O-CE1 3.44Å; M146-F148 WeakPolarHBondContact O-CZ 3.49Å; M146-F148 PolarHBondContact O-N 3.32Å
147S52Low60.6Low111 Ų11182.8 Ų82.878%0.77646%0.461SS*.PPolyproline II helixtrans-66123.8174.852.10000110N145N145-S147 PolarHBondContact O-N 3.16Å
148F60Low58.8Low89 Ų8982.5 Ų82.539%0.3946%0.455SS..PPolyproline II helixtrans-79.1147.9-175.5-56.1-60.9000112.2M146 T150 E525 R527M146-F148 WeakPolarHBondContact O-CE1 3.44Å; M146-F148 WeakPolarHBondContact O-CZ 3.49Å; M146-F148 PolarHBondContact O-N 3.32Å; F148-T150 PolarHBondContact O-N 3.27Å; F148-E525 WeakPolarHBondContact CD1-OE1 3.31Å; F148-R527 VanDerWaalsContact CE1-NH1 3.34Å
149G60Low57.1Low19 Ų1988.9 Ų88.920%0.19649%0.487CS..PPolyproline II helixtrans-61.9118.4166.800000109.9T520 E525G149-T520 VanDerWaalsContact CA-O 3.29Å; G149-T520 WeakPolarHBondContact CA-O 3.39Å; G149-E525 PolarHBondContact N-OE2 3.2Å; G149-E525 VanDerWaalsContact N-OE2 3.12Å
150T62.3Low55.1Low71 Ų7194 Ų9444%0.43652%0.517SS..PPolyproline II helixtrans-98.7129.3-178.5550000111.3F148 S152F148-T150 PolarHBondContact O-N 3.27Å; T150-S152 VanDerWaalsContact C-N 3.29Å; T150-S152 PolarHBondContact O-N 2.97Å
151C63.7Low53.5Low19 Ų19102.6 Ų102.613%0.12856%0.559CS.*  trans-86.469.1161.5-69.60000109.4C519 C545 C549 S550C151-C519 HydrophobicContact CB-CB 3.98Å; C151-C519 WeakPolarHBondContact CB-SG 2.92Å; C151-C519 WeakPolarHBondContact SG-CB 2.94Å; C151-C519 CovalentContact SG-SG 2.02Å; C151-C519 PolarHBondContact SG-SG 3.01Å; C151-C545 PolarHBondContact SG-O 2.96Å; C151-C549 WeakPolarHBondContact CB-O 3.38Å; C151-S550 PolarHBondContact O-OG 3.32Å
152S58.7Low52.6Low55 Ų55106.4 Ų106.439%0.38558%0.578SS.*  trans-118.2133173.6-165.30000110.9T150 E154T150-S152 VanDerWaalsContact C-N 3.29Å; T150-S152 PolarHBondContact O-N 2.97Å; S152-E154 PolarHBondContact O-N 3.17Å; S152-E154 VanDerWaalsContact O-N 3.14Å
153I52.6Low51.6Low136 Ų136106.8 Ų106.870%0.69758%0.581SS**G310 helixtrans-63.8-16.8-179.5-65.8177.4000111.9H155I153-H155 VanDerWaalsContact C-N 3.3Å; I153-H155 PolarHBondContact O-N 3.4Å
154E49.9Very low50.9Low156 Ų156109.7 Ų109.773%0.72960%0.603SS**G310 helixtrans-68-23.4-173.7-131.2161.9-170.600114.2S152 L156 L157S152-E154 PolarHBondContact O-N 3.17Å; S152-E154 VanDerWaalsContact O-N 3.14Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.7Å; E154-L157 PolarHBondContact O-N 2.8Å
155H45Very low50.4Low133 Ų133114 Ų11462%0.61662%0.617SS**G310 helixtrans-79.8-6.1-175.2-140.8-71000114.5I153 L157I153-H155 VanDerWaalsContact C-N 3.3Å; I153-H155 PolarHBondContact O-N 3.4Å; H155-L157 VanDerWaalsContact C-N 3.26Å
156L48.6Very low50.2Low146 Ų146110 Ų11076%0.76460%0.602SS**G310 helixtrans-79.1-6.5172.4-74.7167.5000113.3E154E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.7Å
157L47.9Very low49.9Very low154 Ų154111.7 Ų111.781%0.80661%0.612SS**SBendtrans-108.4-7.8-178-69.1172.9000114.7E154 H155E154-L157 PolarHBondContact O-N 2.8Å; H155-L157 VanDerWaalsContact C-N 3.26Å
158Q43.7Very low50Low137 Ų137109 Ų10964%0.6460%0.596SS**  trans-111.775.7-178.7-149.990.99.700110.7D160Q158-D160 PolarHBondContact O-N 2.97Å; Q158-D160 VanDerWaalsContact O-N 3.15Å
159N41.9Very low49.7Very low167 Ų167111.2 Ų111.289%0.89361%0.608SS**  trans-71.397.3161.3-89.1-15.7000108.1
160D36.8Very low49.5Very low138 Ų138115.8 Ų115.874%0.73863%0.627SS**  trans-110116161.7-120.5-20000110.3Q158 T162Q158-D160 PolarHBondContact O-N 2.97Å; Q158-D160 VanDerWaalsContact O-N 3.15Å; D160-T162 PolarHBondContact O-N 3.28Å
161M41.2Very low49.3Very low182 Ų182118 Ų11890%0.89763%0.632SS**  trans-79.391.1179.3-81.4-130.7-61.700110.5
162T43Very low49Very low115 Ų115118.1 Ų118.171%0.70663%0.633SS**SBendtrans-142.7120.8151.247.60000106.8D160 P164D160-T162 PolarHBondContact O-N 3.28Å; T162-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact O-CG 3.24Å; T162-P164 WeakPolarHBondContact O-CG 3.36Å
163S44.3Very low48.9Very low93 Ų93122.1 Ų122.165%0.6565%0.646SS**  trans-56.9100.2-177.457.40000110.9E165S163-E165 PolarHBondContact O-N 3.1Å
164P51.9Low49.1Very low94 Ų94118.4 Ų118.461%0.6163%0.632SS**Hα-helixtrans-74.1-19.3-174.1-9.327.3000111.4T162 A166 L167 A168T162-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact O-CG 3.24Å; T162-P164 WeakPolarHBondContact O-CG 3.36Å; P164-A166 PolarHBondContact O-N 3.43Å; P164-L167 PolarHBondContact O-N 3.26Å; P164-A168 VanDerWaalsContact O-CB 3.29Å; P164-A168 WeakPolarHBondContact O-CB 3.47Å; P164-A168 PolarHBondContact O-N 3.09Å
165E47.6Very low49.3Very low152 Ų152116.1 Ų116.171%0.7162%0.621SS**Hα-helixtrans-65-37.3-174.4-64.8174.4165.800112.9S163 Q169S163-E165 PolarHBondContact O-N 3.1Å; E165-Q169 WeakPolarHBondContact O-CB 3.39Å; E165-Q169 PolarHBondContact O-N 3.31Å
166A47.4Very low49.8Very low50 Ų50111.5 Ų111.541%0.41360%0.601SS.*Hα-helixtrans-74.2-36-178.800000112.9P164 I170P164-A166 PolarHBondContact O-N 3.43Å; A166-I170 WeakPolarHBondContact O-CD1 3.27Å; A166-I170 VanDerWaalsContact O-CG1 3.28Å; A166-I170 WeakPolarHBondContact O-CG1 3.4Å; A166-I170 PolarHBondContact O-N 3.31Å
167L48.9Very low50Low128 Ų128111.6 Ų111.667%0.6760%0.598SS**Hα-helixtrans-74.9-38.2175.8-17066000111P164 I170 Q171P164-L167 PolarHBondContact O-N 3.26Å; L167-I170 PolarHBondContact O-N 3.37Å; L167-Q171 WeakPolarHBondContact O-CB 3.14Å; L167-Q171 PolarHBondContact O-N 3.13Å
168A53.9Low50.4Low54 Ų54109.7 Ų109.745%0.44659%0.588SS.*Hα-helixtrans-62.9-40.2172.600000112.1P164 C172P164-A168 VanDerWaalsContact O-CB 3.29Å; P164-A168 WeakPolarHBondContact O-CB 3.47Å; P164-A168 PolarHBondContact O-N 3.09Å; A168-C172 WeakPolarHBondContact O-CB 3.44Å; A168-C172 PolarHBondContact O-N 3.45Å; A168-C172 PolarHBondContact O-SG 3.07Å; A168-C172 VanDerWaalsContact O-SG 3.37Å
169Q55.1Low51.2Low137 Ų137107.3 Ų107.364%0.6458%0.577SS**Hα-helixtrans-64.1-40.7174.3-92.5-175.6-69.400113.2E165 C172 Q173E165-Q169 WeakPolarHBondContact O-CB 3.39Å; E165-Q169 PolarHBondContact O-N 3.31Å; Q169-C172 WeakPolarHBondContact O-CB 3.34Å; Q169-C172 PolarHBondContact O-N 3.41Å; Q169-Q173 PolarHBondContact O-N 3.39Å
170I56.3Low52Low114 Ų114105.3 Ų105.359%0.58556%0.562SS**Hα-helixtrans-68.8-43.1178.4-66.5165.3000110.7A166 L167 C172 Q173 S174A166-I170 WeakPolarHBondContact O-CD1 3.27Å; A166-I170 VanDerWaalsContact O-CG1 3.28Å; A166-I170 WeakPolarHBondContact O-CG1 3.4Å; A166-I170 PolarHBondContact O-N 3.31Å; L167-I170 PolarHBondContact O-N 3.37Å; I170-C172 VanDerWaalsContact C-N 3.34Å; I170-C172 PolarHBondContact O-N 3.04Å; I170-Q173 PolarHBondContact O-N 3.02Å; I170-S174 PolarHBondContact O-N 3.2Å
171Q57.2Low53.2Low118 Ų118102.1 Ų102.155%0.55155%0.551SS**Hα-helixtrans-56.3-50.2172.9-166.594.2-11.200110.1L167 Q173 S174 E175L167-Q171 WeakPolarHBondContact O-CB 3.14Å; L167-Q171 PolarHBondContact O-N 3.13Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q171-Q173 PolarHBondContact O-N 3.17Å; Q171-S174 PolarHBondContact O-N 3.02Å; Q171-S174 PolarHBondContact O-OG 3.43Å; Q171-E175 PolarHBondContact O-N 3.39Å
172C57.3Low54.5Low22 Ų2295.4 Ų95.415%0.14952%0.522CS..Hα-helixtrans-55.4-37.5176.1-930000114.4A168 Q169 I170 N176 C662A168-C172 WeakPolarHBondContact O-CB 3.44Å; A168-C172 PolarHBondContact O-N 3.45Å; A168-C172 PolarHBondContact O-SG 3.07Å; A168-C172 VanDerWaalsContact O-SG 3.37Å; Q169-C172 WeakPolarHBondContact O-CB 3.34Å; Q169-C172 PolarHBondContact O-N 3.41Å; I170-C172 VanDerWaalsContact C-N 3.34Å; I170-C172 PolarHBondContact O-N 3.04Å; C172-N176 VanDerWaalsContact O-CB 3.24Å; C172-N176 WeakPolarHBondContact O-CB 3.37Å; C172-N176 PolarHBondContact O-N 2.94Å; C172-N176 PolarHBondContact O-ND2 3.21Å; C172-C662 WeakPolarHBondContact CA-SG 3.48Å; C172-C662 HydrophobicContact CB-CB 3.55Å; C172-C662 WeakPolarHBondContact CB-SG 3.22Å; C172-C662 VanDerWaalsContact SG-CA 3.52Å; C172-C662 WeakPolarHBondContact SG-CB 3.44Å; C172-C662 CovalentContact SG-SG 2.02Å; C172-C662 PolarHBondContact SG-SG 3.34Å
173Q56.8Low55.9Low138 Ų13891.5 Ų91.565%0.64550%0.499SS*.Hα-helixtrans-72.7-36-178.5-127.2161.4-15.100112.2Q169 I170 Q171 Q177Q169-Q173 PolarHBondContact O-N 3.39Å; I170-Q173 PolarHBondContact O-N 3.02Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q171-Q173 PolarHBondContact O-N 3.17Å; Q173-Q177 PolarHBondContact O-N 3.3Å
174S55.6Low57.7Low58 Ų5890.3 Ų90.341%0.40649%0.485SS..Hα-helixtrans-72.6-43.6173.365.40000112.4I170 Q171 N176 Q177 D178I170-S174 PolarHBondContact O-N 3.2Å; Q171-S174 PolarHBondContact O-N 3.02Å; Q171-S174 PolarHBondContact O-OG 3.43Å; S174-N176 PolarHBondContact O-N 3.47Å; S174-Q177 PolarHBondContact O-N 3.15Å; S174-D178 PolarHBondContact O-N 3.3Å
175E55.3Low59.5Low108 Ų10889.9 Ų89.951%0.50548%0.477SS..Hα-helixtrans-63.4-40.3178.2-122.4170.8166.600111.8Q171 Q177 D178 Q179Q171-E175 PolarHBondContact O-N 3.39Å; E175-Q177 PolarHBondContact O-N 2.88Å; E175-D178 PolarHBondContact O-N 2.92Å; E175-Q179 WeakPolarHBondContact O-CB 3.47Å; E175-Q179 PolarHBondContact O-N 3.47Å
176N55.7Low61.5Low36 Ų3684.1 Ų84.119%0.19345%0.449CS..Hα-helixtrans-64.9-35.1176.3-77.7-34.7000112.9C172 S174 H180 C662C172-N176 VanDerWaalsContact O-CB 3.24Å; C172-N176 WeakPolarHBondContact O-CB 3.37Å; C172-N176 PolarHBondContact O-N 2.94Å; C172-N176 PolarHBondContact O-ND2 3.21Å; S174-N176 PolarHBondContact O-N 3.47Å; N176-H180 WeakPolarHBondContact O-CB 3.42Å; N176-H180 PolarHBondContact O-N 3.39Å; N176-C662 WeakPolarHBondContact ND2-CB 3.48Å
177Q53.3Low63.6Low149 Ų14983 Ų8370%0.69644%0.435SS*.Hα-helixtrans-70.3-41.6177.3-87.4-177.2-30.200112.3Q173 S174 E175 S181Q173-Q177 PolarHBondContact O-N 3.3Å; S174-Q177 PolarHBondContact O-N 3.15Å; E175-Q177 PolarHBondContact O-N 2.88Å; Q177-S181 WeakPolarHBondContact O-CB 3.43Å; Q177-S181 PolarHBondContact O-N 3.46Å; Q177-S181 PolarHBondContact O-OG 3.34Å
178D55.4Low65.8Low113 Ų11384.3 Ų84.360%0.60443%0.432SS*.Hα-helixtrans-74.2-36.1178.3-72.4-28.5000112.3S174 E175 S181 S182S174-D178 PolarHBondContact O-N 3.3Å; E175-D178 PolarHBondContact O-N 2.92Å; D178-S181 PolarHBondContact O-OG 3.02Å; D178-S182 WeakPolarHBondContact O-CB 3.28Å; D178-S182 PolarHBondContact O-N 3.45Å; D178-S182 VanDerWaalsContact O-N 3.11Å; D178-S182 PolarHBondContact O-OG 2.94Å
179Q59.5Low67.7Low87 Ų8783.2 Ų83.241%0.40742%0.419SS..Hα-helixtrans-72.7-35.3177.5-162159.435.200112.2E175 S182 S183E175-Q179 WeakPolarHBondContact O-CB 3.47Å; E175-Q179 PolarHBondContact O-N 3.47Å; Q179-S182 WeakPolarHBondContact CA-OG 3.36Å; Q179-S182 PolarHBondContact O-OG 3.13Å; Q179-S183 WeakPolarHBondContact O-CB 3.46Å; Q179-S183 PolarHBondContact O-N 3Å
180H59.2Low69.7Low126 Ų12676.7 Ų76.758%0.58339%0.388SS*.Hα-helixtrans-73.8-37.1177-152.331.1000112.2N176 N184N176-H180 WeakPolarHBondContact O-CB 3.42Å; N176-H180 PolarHBondContact O-N 3.39Å; H180-N184 WeakPolarHBondContact O-CB 3.47Å; H180-N184 VanDerWaalsContact O-CG 3.23Å; H180-N184 PolarHBondContact O-N 3.21Å; H180-N184 VanDerWaalsContact O-N 3.11Å; H180-N184 PolarHBondContact O-ND2 2.86Å
181S61.6Low71.6Confident71 Ų7171.5 Ų71.550%0.49736%0.362SS..Hα-helixtrans-67.3-43.1176.266.80000112.5Q177 D178 L185Q177-S181 WeakPolarHBondContact O-CB 3.43Å; Q177-S181 PolarHBondContact O-N 3.46Å; Q177-S181 PolarHBondContact O-OG 3.34Å; D178-S181 PolarHBondContact O-OG 3.02Å; S181-L185 PolarHBondContact O-N 3.33Å; S181-L185 VanDerWaalsContact O-N 3.13Å
182S70.2Confident73.5Confident41 Ų4171.2 Ų71.229%0.28736%0.359SS..Hα-helixtrans-68.9-42.317656.10000112.9D178 Q179 N184 L185 Y186D178-S182 WeakPolarHBondContact O-CB 3.28Å; D178-S182 PolarHBondContact O-N 3.45Å; D178-S182 VanDerWaalsContact O-N 3.11Å; D178-S182 PolarHBondContact O-OG 2.94Å; Q179-S182 WeakPolarHBondContact CA-OG 3.36Å; Q179-S182 PolarHBondContact O-OG 3.13Å; S182-N184 VanDerWaalsContact C-N 3.32Å; S182-N184 PolarHBondContact O-N 2.98Å; S182-L185 WeakPolarHBondContact O-CB 3.33Å; S182-L185 PolarHBondContact O-N 3.26Å; S182-Y186 WeakPolarHBondContact O-CD2 3.4Å; S182-Y186 WeakPolarHBondContact O-CE2 3.05Å; S182-Y186 PolarHBondContact O-N 3.18Å; S182-Y186 VanDerWaalsContact O-N 3.13Å
183S72.4Confident75.4Confident32 Ų3270.1 Ų70.122%0.22435%0.352CS..Hα-helixtrans-58.7-42.2174.9-1760000112.3Q179 Y186 F187Q179-S183 WeakPolarHBondContact O-CB 3.46Å; Q179-S183 PolarHBondContact O-N 3Å; S183-Y186 PolarHBondContact O-N 3.42Å; S183-F187 PolarHBondContact O-N 3.42Å; S183-F187 VanDerWaalsContact O-N 3.12Å
184N81.3Confident77.3Confident69 Ų6963.7 Ų63.737%0.36932%0.322SS..Hα-helixtrans-65.7-38.7175.9-74.5-35.7000112.4H180 S182 F187 Y188H180-N184 WeakPolarHBondContact O-CB 3.47Å; H180-N184 VanDerWaalsContact O-CG 3.23Å; H180-N184 PolarHBondContact O-N 3.21Å; H180-N184 VanDerWaalsContact O-N 3.11Å; H180-N184 PolarHBondContact O-ND2 2.86Å; S182-N184 VanDerWaalsContact C-N 3.32Å; S182-N184 PolarHBondContact O-N 2.98Å; N184-F187 PolarHBondContact O-N 3.45Å; N184-Y188 HydrophobicContact CB-CE2 4.49Å; N184-Y188 WeakPolarHBondContact O-CD2 3.22Å; N184-Y188 PolarHBondContact O-N 2.74Å; N184-Y188 VanDerWaalsContact O-N 3.15Å
185L89Confident79.3Confident84 Ų8463.4 Ų63.444%0.4431%0.313SS..Hα-helixtrans-58.6-49.8175.317666.8000111.3M135 S181 S182 F187 Y188 L189M135-L185 HydrophobicContact CE-CD2 4.27Å; S181-L185 PolarHBondContact O-N 3.33Å; S181-L185 VanDerWaalsContact O-N 3.13Å; S182-L185 WeakPolarHBondContact O-CB 3.33Å; S182-L185 PolarHBondContact O-N 3.26Å; L185-F187 VanDerWaalsContact C-N 3.32Å; L185-F187 PolarHBondContact O-N 3.39Å; L185-Y188 PolarHBondContact O-N 3.4Å; L185-L189 HydrophobicContact CD1-CD1 4.37Å; L185-L189 HydrophobicContact CG-CD1 4.44Å; L185-L189 PolarHBondContact O-N 3.35Å
186Y90.8Very high81.3Confident31 Ų3159.1 Ų59.112%0.12229%0.294CS..Hα-helixtrans-62.5-40.4-179.7-56.4-49.2000111.9F77 P132 M135 S182 S183 Y188 L189 F190F77-Y186 AromaticContact CD1-CD2 3.48Å; F77-Y186 HydrophobicContact CD1-CD2 3.48Å; F77-Y186 VanDerWaalsContact CD1-CD2 3.48Å; F77-Y186 HydrophobicContact CD1-CE2 4.09Å; F77-Y186 AromaticContact CD1-CG 3.88Å; F77-Y186 HydrophobicContact CD1-CG 3.88Å; F77-Y186 HydrophobicContact CE1-CD1 4.17Å; F77-Y186 AromaticContact CE1-CD2 3.59Å; F77-Y186 HydrophobicContact CE1-CD2 3.59Å; F77-Y186 HydrophobicContact CE1-CE1 4.49Å; F77-Y186 AromaticContact CE1-CE2 3.97Å; F77-Y186 HydrophobicContact CE1-CE2 3.97Å; F77-Y186 AromaticContact CE1-CG 3.72Å; F77-Y186 HydrophobicContact CE1-CG 3.72Å; P132-Y186 HydrophobicContact CB-CD1 3.83Å; P132-Y186 HydrophobicContact CB-CG 4.39Å; M135-Y186 HydrophobicContact CB-CE1 4.29Å; S182-Y186 WeakPolarHBondContact O-CD2 3.4Å; S182-Y186 WeakPolarHBondContact O-CE2 3.05Å; S182-Y186 PolarHBondContact O-N 3.18Å; S182-Y186 VanDerWaalsContact O-N 3.13Å; S183-Y186 PolarHBondContact O-N 3.42Å; Y186-Y188 PolarHBondContact O-N 3.18Å; Y186-L189 WeakPolarHBondContact O-CB 3.36Å; Y186-L189 PolarHBondContact O-N 2.77Å; Y186-F190 WeakPolarHBondContact O-CD2 3.45Å; Y186-F190 PolarHBondContact O-N 2.92Å
187F91.4Very high83.3Confident27 Ų2757.4 Ų57.412%0.11829%0.285CS..Hα-helixtrans-55.3-51.6175.2176.3-94.1000111.6F79 H83 R86 I87 S183 N184 L185 L189 F190 C191F79-F187 HydrophobicContact CE1-CB 4.23Å; F79-F187 HydrophobicContact CZ-CB 3.98Å; H83-F187 HydrophobicContact CB-CE2 4.47Å; R86-F187 HydrophobicContact CB-CZ 4.48Å; I87-F187 HydrophobicContact CD1-CD2 3.76Å; I87-F187 HydrophobicContact CD1-CE2 4.04Å; I87-F187 HydrophobicContact CG1-CD2 3.83Å; I87-F187 HydrophobicContact CG1-CE2 3.66Å; I87-F187 HydrophobicContact CG1-CZ 4.42Å; S183-F187 PolarHBondContact O-N 3.42Å; S183-F187 VanDerWaalsContact O-N 3.12Å; N184-F187 PolarHBondContact O-N 3.45Å; L185-F187 VanDerWaalsContact C-N 3.32Å; L185-F187 PolarHBondContact O-N 3.39Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 3.21Å; F187-F190 PolarHBondContact O-N 2.95Å; F187-C191 PolarHBondContact O-N 3.43Å; F187-C191 PolarHBondContact O-SG 3.35Å
188Y93.8Very high85.4Confident155 Ų15550.3 Ų50.361%0.60825%0.251SS*.Hα-helixtrans-66.5-31.6179.2-69.1-60000113.2N184 L185 Y186 C191 F192N184-Y188 HydrophobicContact CB-CE2 4.49Å; N184-Y188 WeakPolarHBondContact O-CD2 3.22Å; N184-Y188 PolarHBondContact O-N 2.74Å; N184-Y188 VanDerWaalsContact O-N 3.15Å; L185-Y188 PolarHBondContact O-N 3.4Å; Y186-Y188 PolarHBondContact O-N 3.18Å; Y188-C191 PolarHBondContact O-N 3.06Å; Y188-F192 WeakPolarHBondContact O-CB 3.43Å; Y188-F192 PolarHBondContact O-N 3.48Å
189L95.1Very high87.3Confident32 Ų3246.7 Ų46.717%0.16823%0.231CC..Hα-helixtrans-65-44.1176.4-131.7130.5000111.5I128 A131 P132 M135 L185 Y186 F187 F192 A193I128-L189 HydrophobicContact CG2-CD2 3.69Å; I128-L189 HydrophobicContact CG2-CG 4.47Å; I128-L189 WeakPolarHBondContact O-CD2 3.5Å; A131-L189 HydrophobicContact CB-CD2 3.9Å; P132-L189 HydrophobicContact CG-CB 4.3Å; P132-L189 HydrophobicContact CG-CD2 3.97Å; M135-L189 HydrophobicContact SD-CD1 4.13Å; L185-L189 HydrophobicContact CD1-CD1 4.37Å; L185-L189 HydrophobicContact CG-CD1 4.44Å; L185-L189 PolarHBondContact O-N 3.35Å; Y186-L189 WeakPolarHBondContact O-CB 3.36Å; Y186-L189 PolarHBondContact O-N 2.77Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 3.21Å; L189-F192 PolarHBondContact O-N 3.09Å; L189-A193 WeakPolarHBondContact O-CB 3.36Å; L189-A193 PolarHBondContact O-N 3.17Å
190F96.2Very high89Confident0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-64.1-42.7173.6-74.1-61000112.2I73 F77 F79 I87 F129 P132 Y186 F187 F192 A193 H194 W277I73-F190 HydrophobicContact CD1-CE1 4.15Å; I73-F190 HydrophobicContact CD1-CZ 4.31Å; I73-F190 HydrophobicContact CG1-CZ 4.47Å; I73-F190 HydrophobicContact CG2-CE2 3.92Å; I73-F190 HydrophobicContact CG2-CZ 3.92Å; F77-F190 AromaticContact CD2-CE2 3.93Å; F77-F190 HydrophobicContact CD2-CE2 3.93Å; F77-F190 HydrophobicContact CD2-CZ 4.2Å; F77-F190 AromaticContact CE2-CE2 3.84Å; F77-F190 HydrophobicContact CE2-CE2 3.84Å; F77-F190 AromaticContact CE2-CZ 3.74Å; F77-F190 HydrophobicContact CE2-CZ 3.74Å; F77-F190 HydrophobicContact CZ-CE2 4.42Å; F77-F190 HydrophobicContact CZ-CZ 4.4Å; F79-F190 AromaticContact CE2-CD2 3.99Å; F79-F190 HydrophobicContact CE2-CD2 3.99Å; F79-F190 HydrophobicContact CE2-CE2 4.03Å; I87-F190 HydrophobicContact CD1-CB 3.97Å; I87-F190 HydrophobicContact CD1-CD2 4.36Å; I87-F190 HydrophobicContact CD1-CG 4.48Å; I87-F190 HydrophobicContact CG1-CB 4.23Å; I87-F190 HydrophobicContact CG2-CB 3.66Å; F129-F190 HydrophobicContact CD1-CD1 4.38Å; F129-F190 HydrophobicContact CD1-CE1 4.18Å; F129-F190 AromaticContact CD2-CD1 3.72Å; F129-F190 HydrophobicContact CD2-CD1 3.72Å; F129-F190 HydrophobicContact CD2-CE1 4.33Å; F129-F190 HydrophobicContact CE1-CD1 4.21Å; F129-F190 AromaticContact CE1-CE1 3.96Å; F129-F190 HydrophobicContact CE1-CE1 3.96Å; F129-F190 AromaticContact CE2-CD1 3.51Å; F129-F190 HydrophobicContact CE2-CD1 3.51Å; F129-F190 HydrophobicContact CE2-CE1 4.1Å; F129-F190 HydrophobicContact CE2-CG 4.45Å; F129-F190 HydrophobicContact CG-CD1 4.15Å; F129-F190 HydrophobicContact CG-CE1 4.35Å; F129-F190 AromaticContact CZ-CD1 3.78Å; F129-F190 HydrophobicContact CZ-CD1 3.78Å; F129-F190 AromaticContact CZ-CE1 3.91Å; F129-F190 HydrophobicContact CZ-CE1 3.91Å; F129-F190 VanDerWaalsContact O-CE1 3.31Å; F129-F190 WeakPolarHBondContact O-CE1 3.15Å; P132-F190 HydrophobicContact CB-CE2 4.09Å; P132-F190 HydrophobicContact CB-CZ 3.88Å; P132-F190 HydrophobicContact CG-CD1 4.37Å; P132-F190 HydrophobicContact CG-CD2 4.4Å; P132-F190 HydrophobicContact CG-CE1 3.96Å; P132-F190 HydrophobicContact CG-CE2 3.97Å; P132-F190 HydrophobicContact CG-CZ 3.74Å; Y186-F190 WeakPolarHBondContact O-CD2 3.45Å; Y186-F190 PolarHBondContact O-N 2.92Å; F187-F190 PolarHBondContact O-N 2.95Å; F190-F192 VanDerWaalsContact C-N 3.35Å; F190-F192 PolarHBondContact O-N 2.86Å; F190-A193 PolarHBondContact O-N 3.07Å; F190-H194 PolarHBondContact O-N 2.99Å; F190-W277 AromaticContact CE1-CH2 3.88Å; F190-W277 HydrophobicContact CE1-CH2 3.88Å; F190-W277 HydrophobicContact CE1-CZ3 4.15Å; F190-W277 AromaticContact CZ-CH2 3.86Å; F190-W277 HydrophobicContact CZ-CH2 3.86Å; F190-W277 HydrophobicContact CZ-CZ2 4.37Å
191C96.7Very high90.7Very high4 Ų436.5 Ų36.53%0.02718%0.184CC..Hα-helixtrans-59.1-45.3174.9-67.60000111.7F90 F187 Y188 H194 F195F90-C191 VanDerWaalsContact CB-O 3.27Å; F90-C191 WeakPolarHBondContact CB-O 3.36Å; F90-C191 HydrophobicContact CD1-CB 4.04Å; F90-C191 HydrophobicContact CD2-CB 3.57Å; F90-C191 WeakPolarHBondContact CD2-SG 3.49Å; F90-C191 HydrophobicContact CE1-CB 4.12Å; F90-C191 HydrophobicContact CE2-CB 3.66Å; F90-C191 WeakPolarHBondContact CE2-SG 3.31Å; F90-C191 HydrophobicContact CG-CB 3.77Å; F90-C191 HydrophobicContact CZ-CB 3.93Å; F187-C191 PolarHBondContact O-N 3.43Å; F187-C191 PolarHBondContact O-SG 3.35Å; Y188-C191 PolarHBondContact O-N 3.06Å; C191-H194 PolarHBondContact O-N 3.44Å; C191-F195 WeakPolarHBondContact O-CB 3.45Å; C191-F195 PolarHBondContact O-N 3.39Å
192F97.4Very high92.1Very high112 Ų11233.1 Ų33.149%0.49116%0.161SC..Hα-helixtrans-65.4-41.7177.9-177.8-114.7000112.3I128 Y188 L189 F190 F195 L196I128-F192 HydrophobicContact CD1-CD1 4.3Å; I128-F192 HydrophobicContact CD1-CE1 3.96Å; I128-F192 HydrophobicContact CG2-CD1 4.28Å; Y188-F192 WeakPolarHBondContact O-CB 3.43Å; Y188-F192 PolarHBondContact O-N 3.48Å; L189-F192 PolarHBondContact O-N 3.09Å; F190-F192 VanDerWaalsContact C-N 3.35Å; F190-F192 PolarHBondContact O-N 2.86Å; F192-F195 WeakPolarHBondContact O-CB 3.42Å; F192-F195 PolarHBondContact O-N 3.49Å; F192-L196 HydrophobicContact CD1-CD1 4.2Å; F192-L196 HydrophobicContact CE1-CD1 3.71Å; F192-L196 HydrophobicContact CE1-CG 4.36Å; F192-L196 HydrophobicContact CE2-CD2 4.43Å; F192-L196 HydrophobicContact CE2-CG 4.42Å; F192-L196 HydrophobicContact CZ-CD1 3.93Å; F192-L196 HydrophobicContact CZ-CD2 4.24Å; F192-L196 HydrophobicContact CZ-CG 4.2Å; F192-L196 WeakPolarHBondContact O-CG 3.32Å; F192-L196 PolarHBondContact O-N 3.26Å
193A97.7Very high93.2Very high0 Ų031.4 Ų31.40%015%0.148CC..Hα-helixtrans-58.4-48.9174.900000112.2G125 I128 F129 L189 F190 F195 L196 H197G125-A193 WeakPolarHBondContact O-CB 3.28Å; I128-A193 HydrophobicContact CB-CB 4.18Å; I128-A193 HydrophobicContact CG2-CB 3.96Å; F129-A193 HydrophobicContact CB-CB 3.85Å; F129-A193 HydrophobicContact CD2-CB 3.95Å; F129-A193 HydrophobicContact CG-CB 4.4Å; L189-A193 WeakPolarHBondContact O-CB 3.36Å; L189-A193 PolarHBondContact O-N 3.17Å; F190-A193 PolarHBondContact O-N 3.07Å; A193-F195 VanDerWaalsContact C-N 3.33Å; A193-F195 PolarHBondContact O-N 3.23Å; A193-L196 WeakPolarHBondContact O-CB 3.43Å; A193-L196 PolarHBondContact O-N 3.18Å; A193-H197 PolarHBondContact O-N 3.31Å
194H96.8Very high94.1Very high2 Ų229.9 Ų29.91%0.00914%0.138CC..Hα-helixtrans-63.6-38.6176.7-98.4-72.7000112.8F90 Y91 F129 F190 C191 L196 H197 G198F90-H194 HydrophobicContact CB-CB 3.91Å; Y91-H194 VanDerWaalsContact CA-O 3.29Å; Y91-H194 WeakPolarHBondContact CA-O 3.33Å; F129-H194 AromaticContact CD2-CD2 3.93Å; F129-H194 AromaticContact CE2-CD2 3.44Å; F129-H194 VanDerWaalsContact CE2-CD2 3.44Å; F129-H194 WeakPolarHBondContact CE2-CD2 3.37Å; F129-H194 AromaticContact CE2-NE2 3.35Å; F129-H194 VanDerWaalsContact CE2-NE2 3.35Å; F129-H194 WeakPolarHBondContact CE2-NE2 3.21Å; F190-H194 PolarHBondContact O-N 2.99Å; C191-H194 PolarHBondContact O-N 3.44Å; H194-L196 VanDerWaalsContact C-N 3.3Å; H194-L196 PolarHBondContact O-N 2.93Å; H194-H197 AromaticContact ND1-ND1 3.96Å; H194-H197 WeakPolarHBondContact O-CB 3.49Å; H194-H197 PolarHBondContact O-N 3.14Å; H194-H197 VanDerWaalsContact O-N 3.13Å; H194-G198 PolarHBondContact O-N 3.39Å
195F97.5Very high94.2Very high52 Ų5228.1 Ų28.123%0.22813%0.127CC..Hα-helixtrans-58.2-43.7174.3-175.2-104.7000111.5F90 G94 L97 C191 F192 A193 G198 I199F90-F195 HydrophobicContact CB-CB 4.34Å; F90-F195 WeakPolarHBondContact O-CA 3.41Å; G94-F195 VanDerWaalsContact CA-CE2 3.45Å; L97-F195 HydrophobicContact CD2-CE2 4.16Å; L97-F195 HydrophobicContact CD2-CZ 3.75Å; C191-F195 WeakPolarHBondContact O-CB 3.45Å; C191-F195 PolarHBondContact O-N 3.39Å; F192-F195 WeakPolarHBondContact O-CB 3.42Å; F192-F195 PolarHBondContact O-N 3.49Å; A193-F195 VanDerWaalsContact C-N 3.33Å; A193-F195 PolarHBondContact O-N 3.23Å; F195-G198 PolarHBondContact O-N 3.13Å; F195-I199 HydrophobicContact CD1-CD1 3.77Å; F195-I199 HydrophobicContact CD1-CG1 4.43Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 VanDerWaalsContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE1-CG1 4.24Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 WeakPolarHBondContact O-CG1 3.18Å; F195-I199 PolarHBondContact O-N 2.81Å
196L97.6Very high93.9Very high19 Ų1925.3 Ų25.310%0.09911%0.113CC..Hα-helixtrans-64.8-37.4173.6-66.4176.1000112.9I128 F192 A193 H194 G198 I199 G200I128-L196 HydrophobicContact CD1-CD1 3.52Å; F192-L196 HydrophobicContact CD1-CD1 4.2Å; F192-L196 HydrophobicContact CE1-CD1 3.71Å; F192-L196 HydrophobicContact CE1-CG 4.36Å; F192-L196 HydrophobicContact CE2-CD2 4.43Å; F192-L196 HydrophobicContact CE2-CG 4.42Å; F192-L196 HydrophobicContact CZ-CD1 3.93Å; F192-L196 HydrophobicContact CZ-CD2 4.24Å; F192-L196 HydrophobicContact CZ-CG 4.2Å; F192-L196 WeakPolarHBondContact O-CG 3.32Å; F192-L196 PolarHBondContact O-N 3.26Å; A193-L196 WeakPolarHBondContact O-CB 3.43Å; A193-L196 PolarHBondContact O-N 3.18Å; H194-L196 VanDerWaalsContact C-N 3.3Å; H194-L196 PolarHBondContact O-N 2.93Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-G198 PolarHBondContact O-N 3.27Å; L196-I199 PolarHBondContact O-N 3Å; L196-G200 PolarHBondContact O-N 3.42Å
197H97.7Very high93.6Very high0 Ų024 Ų240%011%0.108CC..Hα-helixtrans-59.1-41.4171.4-63.3151.3000111.8Y91 M122 S126 A193 H194 G200 A201Y91-H197 HydrophobicContact CD2-CB 3.9Å; Y91-H197 HydrophobicContact CE2-CB 4.46Å; M122-H197 PolarHBondContact O-CD2 2.62Å; M122-H197 VanDerWaalsContact O-CD2 3.3Å; S126-H197 WeakPolarHBondContact CA-NE2 3.49Å; S126-H197 PolarHBondContact N-NE2 3.11Å; S126-H197 PolarHBondContact OG-NE2 3.42Å; A193-H197 PolarHBondContact O-N 3.31Å; H194-H197 AromaticContact ND1-ND1 3.96Å; H194-H197 WeakPolarHBondContact O-CB 3.49Å; H194-H197 PolarHBondContact O-N 3.14Å; H194-H197 VanDerWaalsContact O-N 3.13Å; H197-G200 PolarHBondContact O-N 2.92Å; H197-A201 WeakPolarHBondContact O-CB 3.33Å; H197-A201 PolarHBondContact O-N 3.07Å
198G96.2Very high93.5Very high0 Ų022.7 Ų22.70%010%0.102CC..Hα-helixtrans-63.5-47.7177.300000113.1Y91 H194 F195 L196 G200 A201 T202Y91-G198 VanDerWaalsContact CD2-CA 3.43Å; Y91-G198 VanDerWaalsContact CD2-N 3.35Å; Y91-G198 WeakPolarHBondContact O-CA 3.16Å; H194-G198 PolarHBondContact O-N 3.39Å; F195-G198 PolarHBondContact O-N 3.13Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-G198 PolarHBondContact O-N 3.27Å; G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.33Å; G198-A201 PolarHBondContact O-N 3.27Å; G198-T202 PolarHBondContact O-N 2.87Å; G198-T202 PolarHBondContact O-OG1 3.41Å
199I95.6Very high93Very high36 Ų3616.4 Ų16.419%0.1858%0.08CC..Hα-helixtrans-56.2-48.1172.9-70.3-176.6000110.4L98 F195 L196 T202 P203L98-I199 HydrophobicContact CD1-CB 3.82Å; L98-I199 HydrophobicContact CD1-CD1 3.82Å; L98-I199 HydrophobicContact CD1-CG1 3.45Å; L98-I199 VanDerWaalsContact CD1-CG1 3.45Å; L98-I199 HydrophobicContact CD1-CG2 3.47Å; L98-I199 VanDerWaalsContact CD1-CG2 3.47Å; L98-I199 HydrophobicContact CG-CG1 4.21Å; F195-I199 HydrophobicContact CD1-CD1 3.77Å; F195-I199 HydrophobicContact CD1-CG1 4.43Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 VanDerWaalsContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE1-CG1 4.24Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 WeakPolarHBondContact O-CG1 3.18Å; F195-I199 PolarHBondContact O-N 2.81Å; L196-I199 PolarHBondContact O-N 3Å; I199-T202 WeakPolarHBondContact O-CB 3.25Å; I199-T202 PolarHBondContact O-N 3.07Å; I199-T202 PolarHBondContact O-OG1 3.28Å; I199-P203 WeakPolarHBondContact O-CD 3.3Å
200G95.9Very high92.3Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-60-49.318000000112.1Y54 G118 L196 H197 G198 T202 P203Y54-G200 PolarHBondContact OH-O 2.85Å; G118-G200 WeakPolarHBondContact O-CA 3.36Å; L196-G200 PolarHBondContact O-N 3.42Å; H197-G200 PolarHBondContact O-N 2.92Å; G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.33Å; G200-T202 PolarHBondContact O-N 3.39Å; G200-T202 VanDerWaalsContact O-N 3.16Å; G200-P203 WeakPolarHBondContact O-CD 3.27Å; G200-P203 WeakPolarHBondContact O-CG 3.28Å
201A94.1Very high91.8Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-65.2-19-178.700000114.6Q58 Y91 Y95 H197 G198 L204Q58-A201 HydrophobicContact CG-CB 3.93Å; Y91-A201 HydrophobicContact CE2-CB 3.71Å; Y91-A201 WeakPolarHBondContact OH-CB 3.44Å; Y95-A201 HydrophobicContact CD2-CB 4.43Å; H197-A201 WeakPolarHBondContact O-CB 3.33Å; H197-A201 PolarHBondContact O-N 3.07Å; G198-A201 PolarHBondContact O-N 3.27Å; A201-L204 WeakPolarHBondContact O-CB 3.42Å; A201-L204 PolarHBondContact O-N 2.7Å
202T91.7Very high91.3Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-57.6-56.3-176.1-59.30000114.4Y95 L98 C99 V102 G198 I199 G200 L204 T206Y95-T202 WeakPolarHBondContact CA-OG1 3.4Å; L98-T202 HydrophobicContact CB-CG2 4.27Å; C99-T202 VanDerWaalsContact CA-CG2 3.48Å; C99-T202 HydrophobicContact CB-CG2 4.35Å; V102-T202 HydrophobicContact CB-CG2 3.85Å; V102-T202 HydrophobicContact CG1-CG2 4.11Å; V102-T202 HydrophobicContact CG2-CG2 4.15Å; G198-T202 PolarHBondContact O-N 2.87Å; G198-T202 PolarHBondContact O-OG1 3.41Å; I199-T202 WeakPolarHBondContact O-CB 3.25Å; I199-T202 PolarHBondContact O-N 3.07Å; I199-T202 PolarHBondContact O-OG1 3.28Å; G200-T202 PolarHBondContact O-N 3.39Å; G200-T202 VanDerWaalsContact O-N 3.16Å; T202-L204 PolarHBondContact O-N 3.48Å; T202-T206 PolarHBondContact O-OG1 3.06Å
203P91.9Very high90.5Very high4 Ų413.8 Ų13.83%0.0267%0.074CC..Hα-helixtrans-62.9-23.5179.323.4-36.4000114.3V102 V114 L115 I199 G200 T206 I207 G208V102-P203 HydrophobicContact CG1-CB 3.79Å; V102-P203 HydrophobicContact CG1-CG 4.44Å; V114-P203 HydrophobicContact CG1-CB 4.11Å; L115-P203 HydrophobicContact CD2-CB 4.24Å; L115-P203 VanDerWaalsContact CD2-O 3.28Å; L115-P203 WeakPolarHBondContact CD2-O 3.47Å; I199-P203 WeakPolarHBondContact O-CD 3.3Å; G200-P203 WeakPolarHBondContact O-CD 3.27Å; G200-P203 WeakPolarHBondContact O-CG 3.28Å; P203-T206 WeakPolarHBondContact CA-OG1 3.39Å; P203-I207 HydrophobicContact CB-CD1 4.02Å; P203-I207 WeakPolarHBondContact O-CA 3.38Å; P203-I207 WeakPolarHBondContact O-CB 3.31Å; P203-I207 PolarHBondContact O-N 3.41Å; P203-G208 PolarHBondContact O-N 3.33Å
204L91.9Very high89.5Confident0 Ų018 Ų180%09%0.093CC..Iπ-helixtrans-62.3-53.1-177.317362.1000111.9Y54 C55 Q58 A201 T202 G208 F228Y54-L204 HydrophobicContact CD1-CB 4.2Å; Y54-L204 HydrophobicContact CD1-CD1 3.55Å; Y54-L204 HydrophobicContact CD1-CG 4.33Å; Y54-L204 HydrophobicContact CD2-CD1 4.46Å; Y54-L204 HydrophobicContact CD2-CD2 4.32Å; Y54-L204 HydrophobicContact CE1-CB 3.74Å; Y54-L204 HydrophobicContact CE1-CD1 4.01Å; Y54-L204 HydrophobicContact CE1-CG 4.34Å; Y54-L204 HydrophobicContact CE2-CD2 4.37Å; Y54-L204 HydrophobicContact CG-CD1 3.79Å; Y54-L204 HydrophobicContact CG-CD2 4.45Å; C55-L204 HydrophobicContact CB-CD1 4.38Å; C55-L204 HydrophobicContact CB-CD2 4.42Å; Q58-L204 HydrophobicContact CB-CD2 3.79Å; Q58-L204 HydrophobicContact CG-CD2 4.03Å; A201-L204 WeakPolarHBondContact O-CB 3.42Å; A201-L204 PolarHBondContact O-N 2.7Å; T202-L204 PolarHBondContact O-N 3.48Å; L204-G208 VanDerWaalsContact O-CA 3.23Å; L204-G208 WeakPolarHBondContact O-CA 3.42Å; L204-G208 PolarHBondContact O-N 3.11Å; L204-F228 HydrophobicContact CD1-CE2 3.52Å; L204-F228 HydrophobicContact CD1-CZ 3.57Å; L204-F228 HydrophobicContact CG-CE2 4.36Å; L204-F228 HydrophobicContact CG-CZ 3.93Å
205F83.4Confident88.8Confident32 Ų3218 Ų1814%0.149%0.094CC..Iπ-helixtrans-85.5-15.8-175.3-65.4-69.3000113.8Q58 Y95 V209 F228 Y229Q58-F205 HydrophobicContact CG-CE2 4.38Å; Y95-F205 HydrophobicContact CE2-CD2 4.43Å; F205-V209 WeakPolarHBondContact O-CG2 3.36Å; F205-F228 AromaticContact CD1-CE1 3.97Å; F205-F228 HydrophobicContact CD1-CE1 3.97Å; F205-F228 HydrophobicContact CD1-CZ 4.17Å; F205-F228 HydrophobicContact CE1-CE1 4.17Å; F205-F228 HydrophobicContact CE1-CZ 4.25Å; F205-Y229 AromaticContact CD1-CE1 3.74Å; F205-Y229 HydrophobicContact CD1-CE1 3.74Å; F205-Y229 HydrophobicContact CE1-CD1 4.34Å; F205-Y229 AromaticContact CE1-CE1 3.99Å; F205-Y229 HydrophobicContact CE1-CE1 3.99Å
206T82.3Confident88Confident25 Ų2515.9 Ų15.915%0.1538%0.084CC..Iπ-helixtrans-96.6-68.3179.255.10000110.7S103 T202 P203 S210S103-T206 VanDerWaalsContact OG-CB 3.28Å; S103-T206 WeakPolarHBondContact OG-CB 3.4Å; S103-T206 WeakPolarHBondContact OG-CG2 3.29Å; T202-T206 PolarHBondContact O-OG1 3.06Å; P203-T206 WeakPolarHBondContact CA-OG1 3.39Å; T206-S210 PolarHBondContact O-N 2.98Å
207I84.9Confident86.7Confident3 Ų316.6 Ų16.62%0.01510%0.096CC..Iπ-helixtrans-74.2-38.4-177.6-58.1172000110.9V102 K111 V114 L115 P203 V209 S210 Y211V102-I207 HydrophobicContact CG1-CD1 3.64Å; V102-I207 HydrophobicContact CG1-CG1 4.36Å; K111-I207 HydrophobicContact CB-CG2 3.62Å; K111-I207 HydrophobicContact CD-CG2 4.01Å; K111-I207 HydrophobicContact CG-CG2 3.74Å; V114-I207 HydrophobicContact CB-CD1 4.05Å; V114-I207 HydrophobicContact CG1-CD1 3.49Å; V114-I207 VanDerWaalsContact CG1-CD1 3.49Å; L115-I207 HydrophobicContact CG-CG2 4.43Å; P203-I207 HydrophobicContact CB-CD1 4.02Å; P203-I207 WeakPolarHBondContact O-CA 3.38Å; P203-I207 WeakPolarHBondContact O-CB 3.31Å; P203-I207 PolarHBondContact O-N 3.41Å; I207-V209 VanDerWaalsContact C-N 3.35Å; I207-V209 PolarHBondContact O-N 3.24Å; I207-S210 WeakPolarHBondContact CA-OG 3.5Å; I207-S210 CarbonylContact O-C 3.57Å; I207-S210 PolarHBondContact O-N 3.45Å; I207-S210 VanDerWaalsContact O-N 3.17Å; I207-S210 PolarHBondContact O-OG 3.09Å; I207-Y211 VanDerWaalsContact O-CB 3.29Å; I207-Y211 WeakPolarHBondContact O-CB 3.42Å; I207-Y211 PolarHBondContact O-N 3.39Å
208G88.7Confident85.2Confident0 Ų020.7 Ų20.70%012%0.122CC..Iπ-helixtrans-58.6-44.9-178.700000112.6P203 L204 Y211 I212P203-G208 PolarHBondContact O-N 3.33Å; L204-G208 VanDerWaalsContact O-CA 3.23Å; L204-G208 WeakPolarHBondContact O-CA 3.42Å; L204-G208 PolarHBondContact O-N 3.11Å; G208-Y211 PolarHBondContact O-N 3.45Å; G208-I212 WeakPolarHBondContact O-CG1 3.42Å; G208-I212 PolarHBondContact O-N 3.29Å; G208-I212 VanDerWaalsContact O-N 3.1Å
209V83Confident84Confident23 Ų2325 Ų2514%0.13916%0.157CC..Hα-helixtrans-64.4-44.8175.4-178.80000110.9F205 I207 Y211 I212 D213 V225 F228 Y229F205-V209 WeakPolarHBondContact O-CG2 3.36Å; I207-V209 VanDerWaalsContact C-N 3.35Å; I207-V209 PolarHBondContact O-N 3.24Å; V209-Y211 PolarHBondContact O-N 3.33Å; V209-I212 PolarHBondContact O-N 2.86Å; V209-D213 PolarHBondContact O-N 3.42Å; V209-D213 VanDerWaalsContact O-N 3.07Å; V209-V225 HydrophobicContact CG1-CG1 4.3Å; V209-V225 HydrophobicContact CG1-CG2 4.14Å; V209-F228 HydrophobicContact CG2-CD1 4.28Å; V209-F228 HydrophobicContact CG2-CE1 3.88Å; V209-Y229 HydrophobicContact CG2-CE2 4.26Å
210S81.1Confident82.9Confident29 Ų2929.4 Ų29.420%0.20318%0.175CC..Hα-helixtrans-61.8-33.1176.479.70000112.9K111 T206 I207 D213 E214K111-S210 PolarHBondContact NZ-OG 3.3Å; T206-S210 PolarHBondContact O-N 2.98Å; I207-S210 WeakPolarHBondContact CA-OG 3.5Å; I207-S210 CarbonylContact O-C 3.57Å; I207-S210 PolarHBondContact O-N 3.45Å; I207-S210 VanDerWaalsContact O-N 3.17Å; I207-S210 PolarHBondContact O-OG 3.09Å; S210-D213 PolarHBondContact O-N 2.91Å; S210-E214 WeakPolarHBondContact O-CB 3.1Å; S210-E214 WeakPolarHBondContact O-CG 3.45Å; S210-E214 PolarHBondContact O-N 2.9Å; S210-E214 VanDerWaalsContact O-N 3.09Å
211Y85.8Confident81.8Confident0 Ų029.6 Ų29.60%018%0.177CC..Hα-helixtrans-73.1-35.9-179.1-179.3-121.3000111.3M47 L51 K111 P112 L115 I207 G208 V209 N215 L298 P299M47-Y211 HydrophobicContact CG-CD1 4.17Å; M47-Y211 HydrophobicContact CG-CE1 3.5Å; M47-Y211 HydrophobicContact SD-CD1 3.9Å; M47-Y211 HydrophobicContact SD-CE1 3.44Å; M47-Y211 WeakPolarHBondContact SD-CE1 3.35Å; L51-Y211 HydrophobicContact CD1-CD1 4.16Å; K111-Y211 HydrophobicContact CB-CD2 4Å; K111-Y211 HydrophobicContact CB-CG 4.37Å; K111-Y211 HydrophobicContact CD-CD2 4.07Å; P112-Y211 HydrophobicContact CG-CE1 4.26Å; P112-Y211 HydrophobicContact CG-CE2 3.97Å; L115-Y211 HydrophobicContact CD1-CD1 4.28Å; I207-Y211 VanDerWaalsContact O-CB 3.29Å; I207-Y211 WeakPolarHBondContact O-CB 3.42Å; I207-Y211 PolarHBondContact O-N 3.39Å; G208-Y211 PolarHBondContact O-N 3.45Å; V209-Y211 PolarHBondContact O-N 3.33Å; Y211-N215 WeakPolarHBondContact CD2-ND2 3.37Å; Y211-N215 WeakPolarHBondContact CE2-ND2 3.35Å; Y211-N215 WeakPolarHBondContact O-CB 3.39Å; Y211-N215 PolarHBondContact O-N 2.98Å; Y211-N215 PolarHBondContact O-ND2 3.26Å; Y211-L298 HydrophobicContact CE1-CD1 4.31Å; Y211-P299 PolarHBondContact OH-O 3.07Å
212I85.8Confident80.8Confident0 Ų033.9 Ų33.90%021%0.206CC..Hα-helixtrans-62.7-50170.2-65.1167.1000109.9M47 I48 L51 G208 V209 E214 N215 V216 F224 V225 F228M47-I212 HydrophobicContact CE-CG1 4.41Å; I48-I212 HydrophobicContact CD1-CD1 3.69Å; I48-I212 HydrophobicContact CD1-CG1 4.24Å; L51-I212 HydrophobicContact CD1-CD1 3.76Å; L51-I212 HydrophobicContact CD1-CG1 3.45Å; L51-I212 VanDerWaalsContact CD1-CG1 3.45Å; G208-I212 WeakPolarHBondContact O-CG1 3.42Å; G208-I212 PolarHBondContact O-N 3.29Å; G208-I212 VanDerWaalsContact O-N 3.1Å; V209-I212 PolarHBondContact O-N 2.86Å; I212-E214 PolarHBondContact O-N 3.43Å; I212-N215 PolarHBondContact O-N 2.99Å; I212-V216 HydrophobicContact CG2-CG2 4.26Å; I212-V216 VanDerWaalsContact O-CB 3.28Å; I212-V216 WeakPolarHBondContact O-CB 3.13Å; I212-V216 WeakPolarHBondContact O-CG2 3Å; I212-V216 PolarHBondContact O-N 3.2Å; I212-V216 VanDerWaalsContact O-N 3.15Å; I212-F224 HydrophobicContact CG2-CB 3.63Å; I212-F224 HydrophobicContact CG2-CD2 4.49Å; I212-V225 HydrophobicContact CB-CG2 4.46Å; I212-V225 HydrophobicContact CG2-CG2 4.01Å; I212-F228 HydrophobicContact CD1-CB 3.94Å; I212-F228 HydrophobicContact CD1-CD2 4.32Å; I212-F228 HydrophobicContact CD1-CG 4.07Å
213D80.3Confident80Confident65 Ų6538.9 Ų38.935%0.34823%0.233SC..Hα-helixtrans-64.4-37.6-173.1-166.155.8000113.3V209 S210 V216 S221V209-D213 PolarHBondContact O-N 3.42Å; V209-D213 VanDerWaalsContact O-N 3.07Å; S210-D213 PolarHBondContact O-N 2.91Å; D213-V216 VanDerWaalsContact O-O 3.14Å; D213-S221 WeakPolarHBondContact CA-OG 3.42Å; D213-S221 WeakPolarHBondContact OD1-CB 3.12Å; D213-S221 PolarHBondContact OD1-OG 3.14Å
214E78.1Confident79.6Confident87 Ų8740.2 Ų40.241%0.40724%0.238SC..Hα-helixtrans-76.7-24.4179.8-74.2172.3-165.900114.2K111 S210 I212K111-E214 VanDerWaalsContact CE-OE2 3.28Å; K111-E214 WeakPolarHBondContact CE-OE2 3.26Å; K111-E214 IonicContact NZ-OE1 3.71Å; K111-E214 PolarHBondContact NZ-OE1 3.31Å; K111-E214 IonicContact NZ-OE2 3.68Å; K111-E214 PolarHBondContact NZ-OE2 3.44Å; S210-E214 WeakPolarHBondContact O-CB 3.1Å; S210-E214 WeakPolarHBondContact O-CG 3.45Å; S210-E214 PolarHBondContact O-N 2.9Å; S210-E214 VanDerWaalsContact O-N 3.09Å; I212-E214 PolarHBondContact O-N 3.43Å
215N80.9Confident78.9Confident4 Ų441.6 Ų41.62%0.02125%0.246CC..Hα-helixtrans-101.9-6.8-174.6-74.3-78.1000114.2Q44 M47 Y211 I212 V301 L302Q44-N215 PolarHBondContact NE2-O 3.44Å; M47-N215 HydrophobicContact SD-CB 4.18Å; Y211-N215 WeakPolarHBondContact CD2-ND2 3.37Å; Y211-N215 WeakPolarHBondContact CE2-ND2 3.35Å; Y211-N215 WeakPolarHBondContact O-CB 3.39Å; Y211-N215 PolarHBondContact O-N 2.98Å; Y211-N215 PolarHBondContact O-ND2 3.26Å; I212-N215 PolarHBondContact O-N 2.99Å; N215-V301 WeakPolarHBondContact OD1-CA 3.43Å; N215-L302 HydrophobicContact CB-CB 4.27Å; N215-L302 HydrophobicContact CB-CD1 3.5Å; N215-L302 HydrophobicContact CB-CG 4.24Å; N215-L302 PolarHBondContact OD1-N 3.1Å
216V81.6Confident78.5Confident6 Ų641.7 Ų41.74%0.03626%0.257CS..SBendtrans-120.6140.3-176.9-177.20000107.8M47 I212 D213 K220 F224M47-V216 HydrophobicContact CE-CG2 3.87Å; I212-V216 HydrophobicContact CG2-CG2 4.26Å; I212-V216 VanDerWaalsContact O-CB 3.28Å; I212-V216 WeakPolarHBondContact O-CB 3.13Å; I212-V216 WeakPolarHBondContact O-CG2 3Å; I212-V216 PolarHBondContact O-N 3.2Å; I212-V216 VanDerWaalsContact O-N 3.15Å; D213-V216 VanDerWaalsContact O-O 3.14Å; V216-K220 HydrophobicContact CG1-CB 3.63Å; V216-F224 HydrophobicContact CB-CD2 4.31Å; V216-F224 HydrophobicContact CG1-CD2 3.85Å; V216-F224 HydrophobicContact CG1-CE2 3.97Å; V216-F224 HydrophobicContact CG2-CD2 3.53Å; V216-F224 HydrophobicContact CG2-CE2 3.82Å
217G70.2Confident78.5Confident34 Ų3443.5 Ų43.535%0.35127%0.265SS..  trans-59148.3177.700000111.8A219 K220 S221G217-A219 PolarHBondContact O-N 3.38Å; G217-K220 PolarHBondContact O-N 3.13Å; G217-S221 PolarHBondContact O-N 3.27Å
218T66.4Low78.6Confident86 Ų8643.4 Ų43.453%0.52826%0.264SS..Hα-helixtrans-51.9-33.2-176.950.90000113.6
219A70.1Confident78.2Confident91 Ų9146.9 Ų46.975%0.75228%0.278SS*.Hα-helixtrans-70.8-25.2176.900000114.7G217G217-A219 PolarHBondContact O-N 3.38Å
220K72.4Confident77.9Confident128 Ų12847.8 Ų47.856%0.55729%0.285SS*.Hα-helixtrans-109-14.3-177.5-64.3-176.7-176-179.80113.5V216 G217 S222 L223 F224V216-K220 HydrophobicContact CG1-CB 3.63Å; G217-K220 PolarHBondContact O-N 3.13Å; K220-S222 PolarHBondContact O-N 3.06Å; K220-L223 PolarHBondContact O-N 3.36Å; K220-F224 PolarHBondContact O-N 3.02Å
221S74.3Confident78.1Confident5 Ų550.1 Ų50.14%0.03529%0.292CS..Hα-helixtrans-57.9-48.7-177.9174.30000112.2D213 G217 L223 F224 V225D213-S221 WeakPolarHBondContact CA-OG 3.42Å; D213-S221 WeakPolarHBondContact OD1-CB 3.12Å; D213-S221 PolarHBondContact OD1-OG 3.14Å; G217-S221 PolarHBondContact O-N 3.27Å; S221-L223 VanDerWaalsContact C-N 3.3Å; S221-L223 PolarHBondContact O-N 3Å; S221-F224 PolarHBondContact O-N 3.13Å; S221-F224 VanDerWaalsContact O-N 3.11Å; S221-V225 WeakPolarHBondContact O-CG2 3.38Å; S221-V225 PolarHBondContact O-N 3.28Å
222S71.1Confident77.8Confident89 Ų8951.2 Ų51.262%0.62230%0.301SS*.Hα-helixtrans-59.4-37.8179.856.20000113.3K220 G226K220-S222 PolarHBondContact O-N 3.06Å; S222-G226 PolarHBondContact O-N 2.7Å
223L76.9Confident77.6Confident106 Ų10652.5 Ų52.556%0.55531%0.309SS*.Hα-helixtrans-64-45.8175.5177.965.8000111.3K220 S221 G226 I227K220-L223 PolarHBondContact O-N 3.36Å; S221-L223 VanDerWaalsContact C-N 3.3Å; S221-L223 PolarHBondContact O-N 3Å; L223-G226 PolarHBondContact O-N 3.07Å; L223-I227 HydrophobicContact CG-CD1 4.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.48Å
224F81.8Confident77.9Confident31 Ų3154.9 Ų54.914%0.13632%0.316CS..Hα-helixtrans-69.8-37.4-179.9-76.25.6000112.5Q44 I48 I212 V216 K220 S221 G226 I227 F228Q44-F224 HydrophobicContact CB-CE2 4.17Å; I48-F224 HydrophobicContact CD1-CB 4.14Å; I212-F224 HydrophobicContact CG2-CB 3.63Å; I212-F224 HydrophobicContact CG2-CD2 4.49Å; V216-F224 HydrophobicContact CB-CD2 4.31Å; V216-F224 HydrophobicContact CG1-CD2 3.85Å; V216-F224 HydrophobicContact CG1-CE2 3.97Å; V216-F224 HydrophobicContact CG2-CD2 3.53Å; V216-F224 HydrophobicContact CG2-CE2 3.82Å; K220-F224 PolarHBondContact O-N 3.02Å; S221-F224 PolarHBondContact O-N 3.13Å; S221-F224 VanDerWaalsContact O-N 3.11Å; F224-G226 VanDerWaalsContact C-N 3.29Å; F224-G226 PolarHBondContact O-N 3.29Å; F224-I227 HydrophobicContact CD1-CD1 4.21Å; F224-I227 PolarHBondContact O-N 3.05Å; F224-F228 WeakPolarHBondContact O-CB 3.39Å; F224-F228 PolarHBondContact O-N 3Å
225V79Confident78.6Confident29 Ų2950.8 Ų50.818%0.17630%0.297CS..Hα-helixtrans-61.7-40.6171.2174.10000110.6V209 I212 S221 F228 Y229V209-V225 HydrophobicContact CG1-CG1 4.3Å; V209-V225 HydrophobicContact CG1-CG2 4.14Å; I212-V225 HydrophobicContact CB-CG2 4.46Å; I212-V225 HydrophobicContact CG2-CG2 4.01Å; S221-V225 WeakPolarHBondContact O-CG2 3.38Å; S221-V225 PolarHBondContact O-N 3.28Å; V225-F228 WeakPolarHBondContact O-CB 3.25Å; V225-F228 PolarHBondContact O-N 3.48Å; V225-Y229 HydrophobicContact CG1-CD2 3.7Å; V225-Y229 HydrophobicContact CG1-CE2 3.6Å; V225-Y229 VanDerWaalsContact O-CD2 3.26Å; V225-Y229 WeakPolarHBondContact O-CD2 3.44Å; V225-Y229 PolarHBondContact O-N 3.38Å
226G74.6Confident79.2Confident35 Ų3551.1 Ų51.136%0.36130%0.3SS..Hα-helixtrans-60.2-47.517300000112.9S222 L223 F224 F228 Y229 S230S222-G226 PolarHBondContact O-N 2.7Å; L223-G226 PolarHBondContact O-N 3.07Å; F224-G226 VanDerWaalsContact C-N 3.29Å; F224-G226 PolarHBondContact O-N 3.29Å; G226-F228 VanDerWaalsContact C-N 3.35Å; G226-F228 PolarHBondContact O-N 3.23Å; G226-Y229 PolarHBondContact O-N 3.22Å; G226-S230 PolarHBondContact O-N 3.31Å; G226-S230 PolarHBondContact O-OG 3.38Å; G226-S230 VanDerWaalsContact O-OG 3.07Å
227I82.5Confident79.8Confident63 Ų6351.6 Ų51.632%0.32330%0.304SS..Hα-helixtrans-58.9-47175.4-67.5167.3000110.6I48 L223 F224 Y229 S230 F231I48-I227 HydrophobicContact CG1-CG2 4.47Å; L223-I227 HydrophobicContact CG-CD1 4.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.48Å; F224-I227 HydrophobicContact CD1-CD1 4.21Å; F224-I227 PolarHBondContact O-N 3.05Å; I227-Y229 PolarHBondContact O-N 2.94Å; I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 3.07Å; I227-S230 VanDerWaalsContact O-N 3.16Å; I227-F231 HydrophobicContact CG2-CD2 4.04Å; I227-F231 HydrophobicContact CG2-CE2 4Å; I227-F231 WeakPolarHBondContact O-CD2 3.44Å; I227-F231 PolarHBondContact O-N 2.95Å; I227-F231 VanDerWaalsContact O-N 3.15Å
228F86.1Confident80.9Confident0 Ų054.6 Ų54.60%031%0.311CS..Hα-helixtrans-55.2-47.8178.6168.4-101.1000112.7I48 L51 C55 L204 F205 V209 I212 F224 V225 G226 F231I48-F228 HydrophobicContact CD1-CB 4.13Å; L51-F228 HydrophobicContact CB-CD2 4.06Å; L51-F228 HydrophobicContact CB-CE2 4.22Å; C55-F228 HydrophobicContact CB-CD2 4.28Å; C55-F228 HydrophobicContact CB-CE2 3.86Å; C55-F228 HydrophobicContact CB-CZ 4.41Å; L204-F228 HydrophobicContact CD1-CE2 3.52Å; L204-F228 HydrophobicContact CD1-CZ 3.57Å; L204-F228 HydrophobicContact CG-CE2 4.36Å; L204-F228 HydrophobicContact CG-CZ 3.93Å; F205-F228 AromaticContact CD1-CE1 3.97Å; F205-F228 HydrophobicContact CD1-CE1 3.97Å; F205-F228 HydrophobicContact CD1-CZ 4.17Å; F205-F228 HydrophobicContact CE1-CE1 4.17Å; F205-F228 HydrophobicContact CE1-CZ 4.25Å; V209-F228 HydrophobicContact CG2-CD1 4.28Å; V209-F228 HydrophobicContact CG2-CE1 3.88Å; I212-F228 HydrophobicContact CD1-CB 3.94Å; I212-F228 HydrophobicContact CD1-CD2 4.32Å; I212-F228 HydrophobicContact CD1-CG 4.07Å; F224-F228 WeakPolarHBondContact O-CB 3.39Å; F224-F228 PolarHBondContact O-N 3Å; V225-F228 WeakPolarHBondContact O-CB 3.25Å; V225-F228 PolarHBondContact O-N 3.48Å; G226-F228 VanDerWaalsContact C-N 3.35Å; G226-F228 PolarHBondContact O-N 3.23Å; F228-F231 PolarHBondContact O-N 2.9Å
229Y80.1Confident82.3Confident74 Ų7450.5 Ų50.529%0.2929%0.286SS..Hα-helixtrans-71-30.4177.6-78.7-66000113.1F205 V209 V225 G226 I227 F231 A232F205-Y229 AromaticContact CD1-CE1 3.74Å; F205-Y229 HydrophobicContact CD1-CE1 3.74Å; F205-Y229 HydrophobicContact CE1-CD1 4.34Å; F205-Y229 AromaticContact CE1-CE1 3.99Å; F205-Y229 HydrophobicContact CE1-CE1 3.99Å; V209-Y229 HydrophobicContact CG2-CE2 4.26Å; V225-Y229 HydrophobicContact CG1-CD2 3.7Å; V225-Y229 HydrophobicContact CG1-CE2 3.6Å; V225-Y229 VanDerWaalsContact O-CD2 3.26Å; V225-Y229 WeakPolarHBondContact O-CD2 3.44Å; V225-Y229 PolarHBondContact O-N 3.38Å; G226-Y229 PolarHBondContact O-N 3.22Å; I227-Y229 PolarHBondContact O-N 2.94Å; Y229-F231 VanDerWaalsContact C-N 3.29Å; Y229-F231 PolarHBondContact O-N 3.46Å; Y229-A232 WeakPolarHBondContact O-CB 3.28Å; Y229-A232 PolarHBondContact O-N 3.35Å; Y229-A232 VanDerWaalsContact O-N 3.11Å
230S77.7Confident83.6Confident41 Ų4146.3 Ų46.329%0.28725%0.251SS..Hα-helixtrans-63-35.5173-64.60000112.4G226 I227 A232 V233G226-S230 PolarHBondContact O-N 3.31Å; G226-S230 PolarHBondContact O-OG 3.38Å; G226-S230 VanDerWaalsContact O-OG 3.07Å; I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 3.07Å; I227-S230 VanDerWaalsContact O-N 3.16Å; S230-A232 PolarHBondContact O-N 2.99Å; S230-V233 WeakPolarHBondContact O-CB 3.16Å; S230-V233 PolarHBondContact O-N 3.26Å
231F83.8Confident84.7Confident78 Ų7843.4 Ų43.434%0.34224%0.241SC..Hα-helixtrans-68.1-14.2175-87.8-96.1000114.2C52 S56 I227 F228 Y229 V233 F234 G235C52-F231 HydrophobicContact CB-CB 3.88Å; C52-F231 HydrophobicContact CB-CD1 3.83Å; C52-F231 HydrophobicContact CB-CD2 3.94Å; C52-F231 HydrophobicContact CB-CE1 4.34Å; C52-F231 HydrophobicContact CB-CE2 4.44Å; C52-F231 HydrophobicContact CB-CG 3.6Å; C52-F231 VanDerWaalsContact SG-CD2 3.56Å; S56-F231 PolarHBondContact OG-O 2.86Å; I227-F231 HydrophobicContact CG2-CD2 4.04Å; I227-F231 HydrophobicContact CG2-CE2 4Å; I227-F231 WeakPolarHBondContact O-CD2 3.44Å; I227-F231 PolarHBondContact O-N 2.95Å; I227-F231 VanDerWaalsContact O-N 3.15Å; F228-F231 PolarHBondContact O-N 2.9Å; Y229-F231 VanDerWaalsContact C-N 3.29Å; Y229-F231 PolarHBondContact O-N 3.46Å; F231-V233 PolarHBondContact O-N 2.89Å; F231-F234 HydrophobicContact CD1-CD2 4.49Å; F231-F234 PolarHBondContact O-N 2.86Å; F231-G235 PolarHBondContact O-N 3.41Å
232A80.3Confident85.8Confident24 Ų2444.6 Ų44.620%0.19825%0.254CS..Hα-helixtrans-65.9-20.8169.500000112.3C55 Y229 S230 P236C55-A232 VanDerWaalsContact SG-CA 3.59Å; C55-A232 VanDerWaalsContact SG-CB 3.59Å; Y229-A232 WeakPolarHBondContact O-CB 3.28Å; Y229-A232 PolarHBondContact O-N 3.35Å; Y229-A232 VanDerWaalsContact O-N 3.11Å; S230-A232 PolarHBondContact O-N 2.99Å; A232-P236 WeakPolarHBondContact O-CD 3.33Å; A232-P236 WeakPolarHBondContact O-CG 3.31Å
233V81.6Confident86.9Confident27 Ų2740.6 Ų40.616%0.16423%0.226CC..Hα-helixtrans-86.5-34.4177.2-175.90000112S230 F231 G235 P236 V433S230-V233 WeakPolarHBondContact O-CB 3.16Å; S230-V233 PolarHBondContact O-N 3.26Å; F231-V233 PolarHBondContact O-N 2.89Å; V233-G235 PolarHBondContact O-N 3.24Å; V233-P236 VanDerWaalsContact O-CD 3.31Å; V233-P236 WeakPolarHBondContact O-CD 3.4Å; V233-V433 HydrophobicContact CG1-CG1 3.62Å; V233-V433 WeakPolarHBondContact CG1-O 3.38Å; V233-V433 WeakPolarHBondContact O-CG1 3.24Å
234F87.4Confident87.8Confident115 Ų11535.9 Ų35.950%0.50420%0.202SC..Hα-helixtrans-68.8-35.1179.9-74.2-83.2000112.9F231 A237 I238F231-F234 HydrophobicContact CD1-CD2 4.49Å; F231-F234 PolarHBondContact O-N 2.86Å; F234-A237 PolarHBondContact O-N 3.32Å; F234-I238 WeakPolarHBondContact O-CG1 3.39Å; F234-I238 PolarHBondContact O-N 3.09Å; F234-I238 VanDerWaalsContact O-N 3.14Å
235G91.9Very high88.5Confident0 Ų038.3 Ų38.30%022%0.219CC..Hα-helixtrans-53.2-58.917700000113.8S56 L60 F231 V233 A237 I238 G239S56-G235 WeakPolarHBondContact O-CA 3.46Å; L60-G235 VanDerWaalsContact CA-O 3.27Å; L60-G235 WeakPolarHBondContact CA-O 3.29Å; F231-G235 PolarHBondContact O-N 3.41Å; V233-G235 PolarHBondContact O-N 3.24Å; G235-A237 VanDerWaalsContact C-N 3.27Å; G235-A237 PolarHBondContact O-N 3.17Å; G235-I238 PolarHBondContact O-N 2.7Å; G235-I238 VanDerWaalsContact O-N 3.17Å; G235-G239 PolarHBondContact O-N 3.48Å
236P93.5Very high89.2Confident12 Ų1237.2 Ų37.28%0.07821%0.213CC..Hα-helixtrans-54.3-40.3177.8-20.825000113.1N63 A232 V233 G239 F240 V433N63-P236 HydrophobicContact CB-CB 4.07Å; N63-P236 HydrophobicContact CB-CG 3.81Å; A232-P236 WeakPolarHBondContact O-CD 3.33Å; A232-P236 WeakPolarHBondContact O-CG 3.31Å; V233-P236 VanDerWaalsContact O-CD 3.31Å; V233-P236 WeakPolarHBondContact O-CD 3.4Å; P236-G239 WeakPolarHBondContact O-CA 3.41Å; P236-G239 PolarHBondContact O-N 2.56Å; P236-G239 VanDerWaalsContact O-N 3.07Å; P236-F240 WeakPolarHBondContact O-CD2 3.45Å; P236-F240 PolarHBondContact O-N 3.22Å; P236-V433 HydrophobicContact CB-CG1 4.26Å; P236-V433 HydrophobicContact CB-CG2 4.27Å
237A93.8Very high90.1Very high15 Ų1535.6 Ų35.612%0.12420%0.196CC..Hα-helixtrans-60.3-48.9178.100000111.3F234 G235 G239 F240 L241 V433F234-A237 PolarHBondContact O-N 3.32Å; G235-A237 VanDerWaalsContact C-N 3.27Å; G235-A237 PolarHBondContact O-N 3.17Å; A237-G239 PolarHBondContact O-N 2.91Å; A237-F240 PolarHBondContact O-N 3.31Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 WeakPolarHBondContact O-CG 3.49Å; A237-L241 PolarHBondContact O-N 2.86Å; A237-V433 HydrophobicContact CB-CB 3.98Å; A237-V433 HydrophobicContact CB-CG1 3.64Å
238I94.9Very high90.5Very high98 Ų9837 Ų3750%0.50320%0.201SC..Hα-helixtrans-60.5-35.1175.8-59.3166.1000110L60 F234 G235 G242L60-I238 VanDerWaalsContact CD1-C 3.49Å; L60-I238 HydrophobicContact CD1-CB 3.63Å; L60-I238 HydrophobicContact CD1-CG2 3.4Å; F234-I238 WeakPolarHBondContact O-CG1 3.39Å; F234-I238 PolarHBondContact O-N 3.09Å; F234-I238 VanDerWaalsContact O-N 3.14Å; G235-I238 PolarHBondContact O-N 2.7Å; G235-I238 VanDerWaalsContact O-N 3.17Å; I238-G242 PolarHBondContact O-N 2.85Å
239G95.9Very high90.7Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-66.2-52.7179.800000111.5L60 L65 G235 P236 A237 L241 G242 A243L60-G239 VanDerWaalsContact CD1-CA 3.47Å; L60-G239 VanDerWaalsContact CD1-N 3.25Å; L65-G239 VanDerWaalsContact CD2-O 3.31Å; L65-G239 WeakPolarHBondContact CD2-O 3.22Å; G235-G239 PolarHBondContact O-N 3.48Å; P236-G239 WeakPolarHBondContact O-CA 3.41Å; P236-G239 PolarHBondContact O-N 2.56Å; P236-G239 VanDerWaalsContact O-N 3.07Å; A237-G239 PolarHBondContact O-N 2.91Å; G239-L241 VanDerWaalsContact C-N 3.32Å; G239-L241 PolarHBondContact O-N 3.11Å; G239-G242 PolarHBondContact O-N 3.28Å; G239-A243 VanDerWaalsContact O-CB 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.32Å; G239-A243 PolarHBondContact O-N 2.98Å
240F96.4Very high91.2Very high2 Ų239.6 Ų39.61%0.00921%0.211CC..Hα-helixtrans-60.4-39.9176.8-80.4-65.6000112.6N63 P67 S68 P236 A237 S244 N425 I428 M432 V433N63-F240 WeakPolarHBondContact O-CE2 3.27Å; N63-F240 WeakPolarHBondContact O-CZ 3.47Å; P67-F240 HydrophobicContact CB-CE1 4.2Å; P67-F240 HydrophobicContact CB-CZ 4.03Å; P67-F240 HydrophobicContact CG-CZ 4.49Å; S68-F240 WeakPolarHBondContact OG-CD1 3.49Å; S68-F240 WeakPolarHBondContact OG-CE1 3.28Å; P236-F240 WeakPolarHBondContact O-CD2 3.45Å; P236-F240 PolarHBondContact O-N 3.22Å; A237-F240 PolarHBondContact O-N 3.31Å; F240-S244 WeakPolarHBondContact O-CB 3.47Å; F240-S244 PolarHBondContact O-N 3.44Å; F240-N425 HydrophobicContact CD1-CB 4.24Å; F240-N425 WeakPolarHBondContact CD1-OD1 3.33Å; F240-I428 HydrophobicContact CD1-CB 4.07Å; F240-I428 HydrophobicContact CD1-CD1 4.49Å; F240-I428 HydrophobicContact CD1-CG2 3.85Å; F240-I428 HydrophobicContact CD2-CB 4.5Å; F240-I428 HydrophobicContact CD2-CG2 3.63Å; F240-I428 HydrophobicContact CE1-CB 4.26Å; F240-I428 HydrophobicContact CE1-CD1 4.09Å; F240-I428 HydrophobicContact CE1-CG2 3.76Å; F240-I428 HydrophobicContact CE2-CG2 3.51Å; F240-I428 HydrophobicContact CG-CB 4.22Å; F240-I428 HydrophobicContact CG-CG2 3.83Å; F240-I428 HydrophobicContact CZ-CG2 3.59Å; F240-M432 HydrophobicContact CE2-CE 4.25Å; F240-V433 HydrophobicContact CD2-CG2 3.97Å; F240-V433 HydrophobicContact CE2-CG2 4.3Å
241L96.3Very high91.8Very high68 Ų6837.7 Ų37.736%0.35620%0.198SC..Hα-helixtrans-69-43.5176.7-66.4175.4000112.2A237 G239 S244 V245 L426A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 WeakPolarHBondContact O-CG 3.49Å; A237-L241 PolarHBondContact O-N 2.86Å; G239-L241 VanDerWaalsContact C-N 3.32Å; G239-L241 PolarHBondContact O-N 3.11Å; L241-S244 WeakPolarHBondContact O-CB 3.23Å; L241-S244 PolarHBondContact O-N 3.05Å; L241-V245 PolarHBondContact O-N 2.94Å; L241-L426 HydrophobicContact CD2-CD1 3.72Å
242G95.6Very high91.9Very high30 Ų3034 Ų3431%0.30918%0.182SC..Hα-helixtrans-62.5-43174.800000111.9I238 G239 V245 S246 S280I238-G242 PolarHBondContact O-N 2.85Å; G239-G242 PolarHBondContact O-N 3.28Å; G242-V245 PolarHBondContact O-N 2.8Å; G242-S246 PolarHBondContact O-N 3.19Å; G242-S246 PolarHBondContact O-OG 3.04Å; G242-S280 PolarHBondContact O-OG 3.07Å
243A95.8Very high92.2Very high4 Ų436.4 Ų36.43%0.03319%0.188CC..Hα-helixtrans-61.1-45.2174.200000111.4L65 S68 G239 V245 S246 L247L65-A243 HydrophobicContact CD2-CB 4.05Å; S68-A243 WeakPolarHBondContact OG-CB 3.32Å; G239-A243 VanDerWaalsContact O-CB 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.32Å; G239-A243 PolarHBondContact O-N 2.98Å; A243-V245 VanDerWaalsContact C-N 3.26Å; A243-V245 PolarHBondContact O-N 3.21Å; A243-S246 WeakPolarHBondContact CA-OG 3.46Å; A243-S246 PolarHBondContact O-N 3.44Å; A243-S246 VanDerWaalsContact O-N 3.1Å; A243-S246 PolarHBondContact O-OG 3.44Å; A243-L247 WeakPolarHBondContact O-CB 3.5Å; A243-L247 VanDerWaalsContact O-CG 3.24Å; A243-L247 WeakPolarHBondContact O-CG 3.41Å; A243-L247 PolarHBondContact O-N 3.14Å
244S95.7Very high92.2Very high7 Ų744.6 Ų44.65%0.04922%0.216CC..Hα-helixtrans-52.1-44.1176.7-178.50000112.2F240 L241 Q248 S422F240-S244 WeakPolarHBondContact O-CB 3.47Å; F240-S244 PolarHBondContact O-N 3.44Å; L241-S244 WeakPolarHBondContact O-CB 3.23Å; L241-S244 PolarHBondContact O-N 3.05Å; S244-Q248 WeakPolarHBondContact O-CG 3.49Å; S244-S422 WeakPolarHBondContact CB-O 3.17Å; S244-S422 WeakPolarHBondContact O-CB 3.46Å; S244-S422 PolarHBondContact OG-O 2.97Å
245V95.5Very high91.9Very high83 Ų8345.7 Ų45.750%0.50322%0.223SC..Hα-helixtrans-69.6-47.4176.3177.90000111.4L241 G242 A243 L247 Q248L241-V245 PolarHBondContact O-N 2.94Å; G242-V245 PolarHBondContact O-N 2.8Å; A243-V245 VanDerWaalsContact C-N 3.26Å; A243-V245 PolarHBondContact O-N 3.21Å; V245-L247 VanDerWaalsContact C-N 3.31Å; V245-L247 PolarHBondContact O-N 3.27Å; V245-Q248 WeakPolarHBondContact O-CB 3.31Å; V245-Q248 PolarHBondContact O-N 3.44Å
246S94.5Very high91.3Very high5 Ų547.1 Ų47.14%0.03523%0.23CC..Hα-helixtrans-64.8-32.7-17763.70000113.6G242 A243 Q248 Y249 A276 S280G242-S246 PolarHBondContact O-N 3.19Å; G242-S246 PolarHBondContact O-OG 3.04Å; A243-S246 WeakPolarHBondContact CA-OG 3.46Å; A243-S246 PolarHBondContact O-N 3.44Å; A243-S246 VanDerWaalsContact O-N 3.1Å; A243-S246 PolarHBondContact O-OG 3.44Å; S246-Q248 VanDerWaalsContact C-N 3.29Å; S246-Q248 PolarHBondContact O-N 2.85Å; S246-Y249 PolarHBondContact O-N 2.76Å; S246-A276 PolarHBondContact O-N 3.21Å; S246-S280 WeakPolarHBondContact CB-OG 3.46Å; S246-S280 PolarHBondContact OG-OG 3.21Å
247L93.4Very high90.7Very high2 Ų249.6 Ų49.61%0.0125%0.247CC..THydrogen-bonded Turntrans-76.1-13.2-177.9-68.9172.9000113.9A243 V245 Y249 W273 W277 P421 N425A243-L247 WeakPolarHBondContact O-CB 3.5Å; A243-L247 VanDerWaalsContact O-CG 3.24Å; A243-L247 WeakPolarHBondContact O-CG 3.41Å; A243-L247 PolarHBondContact O-N 3.14Å; V245-L247 VanDerWaalsContact C-N 3.31Å; V245-L247 PolarHBondContact O-N 3.27Å; L247-Y249 PolarHBondContact O-N 3.11Å; L247-W273 PolarHBondContact O-NE1 3.32Å; L247-W277 HydrophobicContact CD2-CB 4.26Å; L247-P421 HydrophobicContact CD1-CB 4.2Å; L247-N425 WeakPolarHBondContact CD1-ND2 3.41Å
248Q91.2Very high89.9Confident92 Ų9253.4 Ų53.443%0.4327%0.27SS..THydrogen-bonded Turntrans-69.3-23.8171.7-67.7174.910.300112.4S244 V245 S246 W273S244-Q248 WeakPolarHBondContact O-CG 3.49Å; V245-Q248 WeakPolarHBondContact O-CB 3.31Å; V245-Q248 PolarHBondContact O-N 3.44Å; S246-Q248 VanDerWaalsContact C-N 3.29Å; S246-Q248 PolarHBondContact O-N 2.85Å; Q248-W273 VanDerWaalsContact O-CZ2 3.29Å; Q248-W273 WeakPolarHBondContact O-CZ2 3.22Å
249Y90.5Very high89Confident122 Ų12255.9 Ų55.948%0.47828%0.279SS..SBendtrans-94.4136.6176.9-60.8-81000110.1S246 L247 G275 A276S246-Y249 PolarHBondContact O-N 2.76Å; L247-Y249 PolarHBondContact O-N 3.11Å; Y249-G275 CarbonylContact O-C 3.59Å; Y249-G275 WeakPolarHBondContact O-CA 3.44Å; Y249-A276 PolarHBondContact O-N 2.97Å
250H89.8Confident87.9Confident6 Ų660.6 Ų60.63%0.02830%0.301CS..BIsolated β-bridgetrans-65.9143.9176.2-171.9-94.8000110.2S140 D252 F253 I261 W273S140-H250 PolarHBondContact OG-CE1 3.12Å; H250-D252 PolarHBondContact ND1-N 3.13Å; H250-D252 PolarHBondContact O-N 3.39Å; H250-F253 VanDerWaalsContact O-CB 3.28Å; H250-F253 WeakPolarHBondContact O-CB 3.39Å; H250-F253 WeakPolarHBondContact O-CD1 3.27Å; H250-F253 PolarHBondContact O-N 3.01Å; H250-I261 HydrophobicContact CB-CG2 3.9Å; H250-W273 HydrophobicContact CB-CE3 4.42Å; H250-W273 HydrophobicContact CB-CH2 3.53Å; H250-W273 HydrophobicContact CB-CZ2 4.06Å; H250-W273 HydrophobicContact CB-CZ3 3.73Å; H250-W273 AromaticContact CD2-CE3 3.67Å; H250-W273 AromaticContact CD2-CZ3 3.8Å; H250-W273 VanDerWaalsContact N-CZ2 3.33Å
251T89.5Confident86.9Confident1 Ų161.3 Ų61.31%0.00631%0.305CS..THydrogen-bonded Turntrans-55.2-31.8-174.7-167.70000114.9H133 V274H133-T251 PolarHBondContact CE1-OG1 3.38Å; T251-V274 WeakPolarHBondContact CB-O 3.36Å; T251-V274 HydrophobicContact CG2-CB 4.01Å; T251-V274 HydrophobicContact CG2-CG1 3.96Å; T251-V274 PolarHBondContact N-O 3.43Å
252D86.1Confident85.8Confident2 Ų261.6 Ų61.61%0.01131%0.307CS..THydrogen-bonded Turntrans-99.315.9-178.4-66.8-19.5000113.8H133 S138 Y139 S140 H250 W254 H255 L256H133-D252 IonicContact CE1-OD1 2.7Å; S138-D252 PolarHBondContact OG-OD2 3.08Å; Y139-D252 PolarHBondContact N-OD2 3.38Å; S140-D252 PolarHBondContact N-OD2 3.46Å; H250-D252 PolarHBondContact ND1-N 3.13Å; H250-D252 PolarHBondContact O-N 3.39Å; D252-W254 PolarHBondContact O-N 3.05Å; D252-H255 PolarHBondContact O-N 2.99Å; D252-L256 HydrophobicContact CB-CD1 3.95Å; D252-L256 HydrophobicContact CB-CG 4.5Å; D252-L256 PolarHBondContact O-N 3.34Å
253F86.9Confident84.4Confident74 Ų7467 Ų6733%0.32532%0.321SS..THydrogen-bonded Turntrans-55.7-24.5-176.278.1-83.4000114.4H250 A276 W278H250-F253 VanDerWaalsContact O-CB 3.28Å; H250-F253 WeakPolarHBondContact O-CB 3.39Å; H250-F253 WeakPolarHBondContact O-CD1 3.27Å; H250-F253 PolarHBondContact O-N 3.01Å; F253-A276 HydrophobicContact CD1-CB 4.32Å; F253-A276 HydrophobicContact CE1-CB 4.16Å; F253-W278 HydrophobicContact CE1-CZ2 4.09Å
254W82.5Confident83.1Confident198 Ų19866.9 Ų66.975%0.7532%0.321SS*.THydrogen-bonded Turntrans-84.4-27.3-179.4-175.2-94.9000113.4D252D252-W254 PolarHBondContact O-N 3.05Å
255H79.6Confident82Confident138 Ų13866.7 Ų66.764%0.63932%0.319SS*.THydrogen-bonded Turntrans-100.7-25.1-171.9-67.1-69.2000113.5D252D252-H255 PolarHBondContact O-N 2.99Å
256L80.3Confident80.5Confident30 Ų3063.5 Ų63.516%0.15730%0.301CS..SBendtrans-121.5143.2-173-64.1169.9000111.7S138 D252 Q260 I261S138-L256 WeakPolarHBondContact OG-CD1 3.29Å; D252-L256 HydrophobicContact CB-CD1 3.95Å; D252-L256 HydrophobicContact CB-CG 4.5Å; D252-L256 PolarHBondContact O-N 3.34Å; L256-Q260 VanDerWaalsContact CD2-OE1 3.25Å; L256-I261 HydrophobicContact CB-CD1 4.29Å; L256-I261 HydrophobicContact CB-CG1 4.03Å
257P80.7Confident79.5Confident65 Ų6564.3 Ų64.342%0.42231%0.31SS..  trans-65.2150.6172.828.6-34000110.6E259 Q260 I261P257-E259 PolarHBondContact O-N 3.21Å; P257-Q260 HydrophobicContact CG-CB 4.33Å; P257-Q260 HydrophobicContact CG-CG 4.01Å; P257-Q260 PolarHBondContact O-N 3.27Å; P257-Q260 VanDerWaalsContact O-N 3.07Å; P257-I261 PolarHBondContact O-N 3.33Å
258P77.6Confident78.8Confident94 Ų9465.7 Ų65.761%0.6132%0.316SS*.Hα-helixtrans-54.1-32.3-177.3-27.234.2000114.3Q260 I261 L262P258-Q260 PolarHBondContact O-N 3.23Å; P258-I261 PolarHBondContact O-N 3.17Å; P258-L262 WeakPolarHBondContact O-CB 3.47Å; P258-L262 WeakPolarHBondContact O-CD1 3.49Å; P258-L262 WeakPolarHBondContact O-CG 3.37Å; P258-L262 PolarHBondContact O-N 3.48Å
259E74.5Confident78Confident151 Ų15162.9 Ų62.971%0.70631%0.305SS*.Hα-helixtrans-63.6-39.4-179.8-62-179.9-17300113P257 K263P257-E259 PolarHBondContact O-N 3.21Å; E259-K263 WeakPolarHBondContact O-CG 3.16Å; E259-K263 PolarHBondContact O-N 3.15Å
260Q72.5Confident77.3Confident98 Ų9857.2 Ų57.246%0.45828%0.283SS..Hα-helixtrans-72.6-35.5177.7-72.8-179.7-5.300111.1L256 P257 P258 K263L256-Q260 VanDerWaalsContact CD2-OE1 3.25Å; P257-Q260 HydrophobicContact CG-CB 4.33Å; P257-Q260 HydrophobicContact CG-CG 4.01Å; P257-Q260 PolarHBondContact O-N 3.27Å; P257-Q260 VanDerWaalsContact O-N 3.07Å; P258-Q260 PolarHBondContact O-N 3.23Å; Q260-K263 PolarHBondContact O-N 3.45Å
261I75.9Confident76.6Confident17 Ų1758 Ų589%0.08729%0.289CS..Hα-helixtrans-65.2-45.4174.9-59.3171.8000110H250 L256 P257 P258 K263 V264 S265H250-I261 HydrophobicContact CB-CG2 3.9Å; L256-I261 HydrophobicContact CB-CD1 4.29Å; L256-I261 HydrophobicContact CB-CG1 4.03Å; P257-I261 PolarHBondContact O-N 3.33Å; P258-I261 PolarHBondContact O-N 3.17Å; I261-K263 VanDerWaalsContact C-N 3.28Å; I261-K263 PolarHBondContact O-N 3.27Å; I261-V264 CarbonylContact O-C 3.58Å; I261-V264 PolarHBondContact O-N 3.02Å; I261-S265 PolarHBondContact O-N 3.03Å; I261-S265 VanDerWaalsContact O-O 3.1Å
262L73.6Confident76.1Confident75 Ų7558.5 Ų58.539%0.39329%0.292SS..Hα-helixtrans-60.7-33.7179.1-81.1159.2000113.2P258 V264 S265 K579P258-L262 WeakPolarHBondContact O-CB 3.47Å; P258-L262 WeakPolarHBondContact O-CD1 3.49Å; P258-L262 WeakPolarHBondContact O-CG 3.37Å; P258-L262 PolarHBondContact O-N 3.48Å; L262-V264 VanDerWaalsContact C-N 3.27Å; L262-V264 PolarHBondContact O-N 3Å; L262-S265 WeakPolarHBondContact CA-O 3.14Å; L262-K579 PolarHBondContact O-NZ 3.11Å
263K66.3Low76Confident142 Ų14259.5 Ų59.562%0.61730%0.296SS*.Hα-helixtrans-60.5-39.5172.5-73.1178.4-176.6-174.80111.5E259 Q260 I261 K579E259-K263 WeakPolarHBondContact O-CG 3.16Å; E259-K263 PolarHBondContact O-N 3.15Å; Q260-K263 PolarHBondContact O-N 3.45Å; I261-K263 VanDerWaalsContact C-N 3.28Å; I261-K263 PolarHBondContact O-N 3.27Å; K263-K579 PolarHBondContact O-NZ 2.96Å
264V69.3Low76.1Confident3 Ų356 Ų562%0.01828%0.28CS..Hα-helixtrans-84.9-47.7-176.4-179.60000111.9Q143 I261 L262 T272 K579Q143-V264 HydrophobicContact CB-CG1 4.09Å; Q143-V264 HydrophobicContact CG-CG1 4.27Å; I261-V264 CarbonylContact O-C 3.58Å; I261-V264 PolarHBondContact O-N 3.02Å; L262-V264 VanDerWaalsContact C-N 3.27Å; L262-V264 PolarHBondContact O-N 3Å; V264-T272 PolarHBondContact O-OG1 3.23Å; V264-K579 WeakPolarHBondContact O-CE 3.48Å; V264-K579 PolarHBondContact O-NZ 3.22Å
265S72.2Confident76.5Confident2 Ų246.6 Ų46.61%0.01425%0.245CC..  trans-140.6134.5-177.2-168.10000111.9I261 L262I261-S265 PolarHBondContact O-N 3.03Å; I261-S265 VanDerWaalsContact O-O 3.1Å; L262-S265 WeakPolarHBondContact CA-O 3.14Å
266S63.7Low77.2Confident17 Ų1740 Ų4012%0.11921%0.214CC..  trans-99.4-12.3-170.3-15.70000113.3D270 K558 K579S266-D270 WeakPolarHBondContact CA-OD2 3.4Å; S266-D270 WeakPolarHBondContact CB-OD2 3.49Å; S266-D270 PolarHBondContact N-OD2 3.38Å; S266-D270 PolarHBondContact OG-OD2 3.31Å; S266-K558 PolarHBondContact O-NZ 2.91Å; S266-K579 WeakPolarHBondContact OG-CD 3.04Å; S266-K579 WeakPolarHBondContact OG-CE 3.35Å; S266-K579 VanDerWaalsContact OG-CG 3.24Å; S266-K579 WeakPolarHBondContact OG-CG 3.43Å; S266-K579 PolarHBondContact OG-NZ 3.46Å
267G74.5Confident77.9Confident22 Ų2238.9 Ų38.923%0.22721%0.208CC..SBendtrans169.2177.317900000113.7T269 D270 W273G267-T269 VanDerWaalsContact C-N 3.27Å; G267-T269 PolarHBondContact O-N 3.39Å; G267-D270 WeakPolarHBondContact O-CB 3.43Å; G267-D270 PolarHBondContact O-N 2.65Å; G267-D270 VanDerWaalsContact O-N 3.1Å; G267-W273 WeakPolarHBondContact O-CB 3.38Å
268E78.6Confident78.6Confident30 Ų3037.6 Ų37.614%0.1420%0.195CC..THydrogen-bonded Turntrans-65.6-21.8-173.9-64.9177.9-120.500115.7D270 W273 R420 P421 S422E268-D270 VanDerWaalsContact C-N 3.29Å; E268-W273 HydrophobicContact CG-CZ2 4.09Å; E268-R420 HydrophobicContact CB-CB 3.88Å; E268-R420 HydrophobicContact CB-CG 3.85Å; E268-P421 WeakPolarHBondContact O-CD 3.4Å; E268-S422 PolarHBondContact OE1-OG 2.92Å; E268-S422 WeakPolarHBondContact OE2-CB 3.33Å; E268-S422 PolarHBondContact OE2-N 3.12Å; E268-S422 PolarHBondContact OE2-OG 3.33Å
269T74.3Confident79.4Confident33 Ų3336.2 Ų36.220%0.20218%0.182CC..THydrogen-bonded Turntrans-76.9-16.8175.743.20000112.6G267 R420 E583G267-T269 VanDerWaalsContact C-N 3.27Å; G267-T269 PolarHBondContact O-N 3.39Å; T269-R420 HydrophobicContact CG2-CG 3.36Å; T269-E583 HydrophobicContact CG2-CG 4.38Å
270D75.5Confident80.4Confident4 Ų429.8 Ų29.82%0.02115%0.154CC..SBendtrans-68.3136.9-179.4-72.6-6.1000109.8R75 S266 G267 E268 T272 W273 G580R75-D270 PolarHBondContact NH1-O 2.63Å; S266-D270 WeakPolarHBondContact CA-OD2 3.4Å; S266-D270 WeakPolarHBondContact CB-OD2 3.49Å; S266-D270 PolarHBondContact N-OD2 3.38Å; S266-D270 PolarHBondContact OG-OD2 3.31Å; G267-D270 WeakPolarHBondContact O-CB 3.43Å; G267-D270 PolarHBondContact O-N 2.65Å; G267-D270 VanDerWaalsContact O-N 3.1Å; E268-D270 VanDerWaalsContact C-N 3.29Å; D270-T272 PolarHBondContact O-N 2.93Å; D270-W273 HydrophobicContact CB-CB 4.45Å; D270-W273 WeakPolarHBondContact O-CB 3.48Å; D270-W273 PolarHBondContact O-N 2.92Å; D270-G580 VanDerWaalsContact OD1-CA 3.24Å; D270-G580 WeakPolarHBondContact OD1-CA 3.19Å
271P74.9Confident81.5Confident23 Ų2325.2 Ų25.215%0.14913%0.132CC..THydrogen-bonded Turntrans-67.7-20.9-179.129.9-38.2000113R75 W273 Y526 P528R75-P271 WeakPolarHBondContact CD-O 3.17Å; P271-W273 VanDerWaalsContact C-N 3.3Å; P271-Y526 HydrophobicContact CB-CD1 4.48Å; P271-Y526 HydrophobicContact CB-CE1 3.87Å; P271-Y526 HydrophobicContact CG-CD1 4.24Å; P271-Y526 HydrophobicContact CG-CE1 3.72Å; P271-P528 VanDerWaalsContact CG-CD 3.43Å; P271-P528 HydrophobicContact CG-CG 3.44Å; P271-P528 VanDerWaalsContact CG-CG 3.44Å
272T78.4Confident82.5Confident11 Ų1127.1 Ų27.17%0.06714%0.142CC..THydrogen-bonded Turntrans-83.2-6.3173.759.30000112.6Y139 V264 D270 V274Y139-T272 WeakPolarHBondContact CE1-O 3.46Å; Y139-T272 PolarHBondContact OH-O 2.84Å; V264-T272 PolarHBondContact O-OG1 3.23Å; D270-T272 PolarHBondContact O-N 2.93Å; T272-V274 PolarHBondContact O-N 3.37Å
273W85.2Confident83.6Confident23 Ų2326.1 Ų26.19%0.08715%0.145CC..  trans-70.4127.3176.4-179.1-93.3000110.9R75 L247 Q248 H250 G267 E268 D270 P271R75-W273 WeakPolarHBondContact CD-O 3.11Å; R75-W273 PolarHBondContact NH1-O 3.43Å; L247-W273 PolarHBondContact O-NE1 3.32Å; Q248-W273 VanDerWaalsContact O-CZ2 3.29Å; Q248-W273 WeakPolarHBondContact O-CZ2 3.22Å; H250-W273 HydrophobicContact CB-CE3 4.42Å; H250-W273 HydrophobicContact CB-CH2 3.53Å; H250-W273 HydrophobicContact CB-CZ2 4.06Å; H250-W273 HydrophobicContact CB-CZ3 3.73Å; H250-W273 AromaticContact CD2-CE3 3.67Å; H250-W273 AromaticContact CD2-CZ3 3.8Å; H250-W273 VanDerWaalsContact N-CZ2 3.33Å; G267-W273 WeakPolarHBondContact O-CB 3.38Å; E268-W273 HydrophobicContact CG-CZ2 4.09Å; D270-W273 HydrophobicContact CB-CB 4.45Å; D270-W273 WeakPolarHBondContact O-CB 3.48Å; D270-W273 PolarHBondContact O-N 2.92Å; P271-W273 VanDerWaalsContact C-N 3.3Å
274V89.1Confident85.1Confident0 Ų019.5 Ų19.50%012%0.116CC..  trans-119.7113.3169.3-178.80000107.7R75 R76 Y139 T251 T272R75-V274 HydrophobicContact CB-CG2 4.03Å; R76-V274 HydrophobicContact CB-CG1 4.12Å; R76-V274 HydrophobicContact CB-CG2 4.46Å; Y139-V274 HydrophobicContact CD1-CG2 4.17Å; Y139-V274 HydrophobicContact CE1-CG2 3.84Å; Y139-V274 HydrophobicContact CE2-CG2 4.19Å; T251-V274 WeakPolarHBondContact CB-O 3.36Å; T251-V274 HydrophobicContact CG2-CB 4.01Å; T251-V274 HydrophobicContact CG2-CG1 3.96Å; T251-V274 PolarHBondContact N-O 3.43Å; T272-V274 PolarHBondContact O-N 3.37Å
275G90.9Very high86.4Confident0 Ų019.4 Ų19.40%012%0.116CC..BIsolated β-bridgetrans-73.9160.9177.900000112.2Y249 W277Y249-G275 CarbonylContact O-C 3.59Å; Y249-G275 WeakPolarHBondContact O-CA 3.44Å; G275-W277 VanDerWaalsContact O-CD1 3.28Å; G275-W277 PolarHBondContact O-N 2.83Å
276A93.6Very high87.6Confident0 Ų026.2 Ų26.20%015%0.145CC..  trans-74.560.7-178.900000113.4S246 Y249 F253 W278 L279S246-A276 PolarHBondContact O-N 3.21Å; Y249-A276 PolarHBondContact O-N 2.97Å; F253-A276 HydrophobicContact CD1-CB 4.32Å; F253-A276 HydrophobicContact CE1-CB 4.16Å; A276-W278 VanDerWaalsContact C-N 3.26Å; A276-W278 PolarHBondContact O-N 3.36Å; A276-L279 WeakPolarHBondContact O-CB 3.47Å; A276-L279 PolarHBondContact O-N 3.41Å
277W94.6Very high89.1Confident6 Ų629 Ų292%0.02316%0.162CC..Hα-helixtrans-56.9-35.2-176.560.6-92.1000113.6A69 I73 F77 F129 H133 F190 L247 G275 L279 F281A69-W277 HydrophobicContact CB-CB 3.89Å; I73-W277 HydrophobicContact CD1-CD2 4.42Å; I73-W277 HydrophobicContact CD1-CE3 4.17Å; I73-W277 HydrophobicContact CD1-CZ3 4.34Å; I73-W277 HydrophobicContact CG1-CD2 3.99Å; I73-W277 HydrophobicContact CG1-CE3 4.24Å; I73-W277 HydrophobicContact CG1-CG 4.42Å; I73-W277 HydrophobicContact CG1-CZ2 4.38Å; F77-W277 HydrophobicContact CE2-CZ2 4.05Å; F129-W277 HydrophobicContact CD1-CE3 4.47Å; F129-W277 AromaticContact CD1-CZ3 3.87Å; F129-W277 HydrophobicContact CD1-CZ3 3.87Å; F129-W277 HydrophobicContact CE1-CE3 4.19Å; F129-W277 AromaticContact CE1-CZ3 3.85Å; F129-W277 HydrophobicContact CE1-CZ3 3.85Å; F129-W277 WeakPolarHBondContact O-CH2 3.12Å; F129-W277 WeakPolarHBondContact O-CZ3 3.37Å; H133-W277 HydrophobicContact CB-CH2 4.37Å; H133-W277 HydrophobicContact CB-CZ2 3.98Å; F190-W277 AromaticContact CE1-CH2 3.88Å; F190-W277 HydrophobicContact CE1-CH2 3.88Å; F190-W277 HydrophobicContact CE1-CZ3 4.15Å; F190-W277 AromaticContact CZ-CH2 3.86Å; F190-W277 HydrophobicContact CZ-CH2 3.86Å; F190-W277 HydrophobicContact CZ-CZ2 4.37Å; L247-W277 HydrophobicContact CD2-CB 4.26Å; G275-W277 VanDerWaalsContact O-CD1 3.28Å; G275-W277 PolarHBondContact O-N 2.83Å; W277-L279 VanDerWaalsContact C-N 3.29Å; W277-L279 PolarHBondContact O-N 3.21Å; W277-F281 HydrophobicContact CE3-CD2 4.04Å; W277-F281 HydrophobicContact CE3-CE2 4.05Å; W277-F281 HydrophobicContact CZ3-CD2 4.43Å; W277-F281 VanDerWaalsContact O-CD2 3.27Å; W277-F281 WeakPolarHBondContact O-CD2 3.26Å
278W94.8Very high90.2Very high39 Ų3928 Ų2815%0.14815%0.152CC..Hα-helixtrans-65.8-28-177.158.4-92.6000113.3H133 F253 A276 S280 F281 I282H133-W278 HydrophobicContact CB-CB 4.23Å; H133-W278 HydrophobicContact CB-CG 4.23Å; H133-W278 AromaticContact CD2-CD1 3.06Å; H133-W278 AromaticContact CD2-CD2 3.56Å; H133-W278 AromaticContact CD2-CE2 3.35Å; H133-W278 AromaticContact CD2-CG 3.4Å; H133-W278 AromaticContact CD2-NE1 3.04Å; H133-W278 PolarHBondContact CD2-NE1 2.97Å; H133-W278 AromaticContact CG-CD1 3.57Å; H133-W278 AromaticContact CG-CG 3.98Å; H133-W278 AromaticContact CG-NE1 3.93Å; H133-W278 AromaticContact NE2-CD1 3.6Å; H133-W278 AromaticContact NE2-CE2 3.56Å; H133-W278 AromaticContact NE2-NE1 3.12Å; H133-W278 PolarHBondContact NE2-NE1 2.85Å; H133-W278 VanDerWaalsContact NE2-NE1 3.12Å; F253-W278 HydrophobicContact CE1-CZ2 4.09Å; A276-W278 VanDerWaalsContact C-N 3.26Å; A276-W278 PolarHBondContact O-N 3.36Å; W278-S280 VanDerWaalsContact C-N 3.34Å; W278-S280 PolarHBondContact O-N 3.35Å; W278-F281 PolarHBondContact O-N 3.29Å; W278-I282 HydrophobicContact CE3-CD1 3.51Å; W278-I282 HydrophobicContact CE3-CG1 4.35Å; W278-I282 HydrophobicContact CZ3-CD1 3.73Å; W278-I282 PolarHBondContact O-N 2.86Å; W278-I282 VanDerWaalsContact O-N 3.16Å
279L94.9Very high91.1Very high65 Ų6530.5 Ų30.534%0.3416%0.162SC..Hα-helixtrans-62-42.6-173.9-176.664.3000111.7A276 W277 F281 I282 A283A276-L279 WeakPolarHBondContact O-CB 3.47Å; A276-L279 PolarHBondContact O-N 3.41Å; W277-L279 VanDerWaalsContact C-N 3.29Å; W277-L279 PolarHBondContact O-N 3.21Å; L279-F281 VanDerWaalsContact C-N 3.32Å; L279-F281 PolarHBondContact O-N 2.97Å; L279-I282 PolarHBondContact O-N 3.23Å; L279-A283 PolarHBondContact O-N 2.76Å
280S95.3Very high92.1Very high16 Ų1632.8 Ų32.811%0.11218%0.176CC..Hα-helixtrans-68.1-31.6179.8-66.30000112.5L65 G242 S246 W278 A284L65-S280 WeakPolarHBondContact CD1-O 3.37Å; L65-S280 VanDerWaalsContact CD2-CB 3.43Å; G242-S280 PolarHBondContact O-OG 3.07Å; S246-S280 WeakPolarHBondContact CB-OG 3.46Å; S246-S280 PolarHBondContact OG-OG 3.21Å; W278-S280 VanDerWaalsContact C-N 3.34Å; W278-S280 PolarHBondContact O-N 3.35Å; S280-A284 VanDerWaalsContact O-CB 3.29Å; S280-A284 WeakPolarHBondContact O-CB 3.47Å; S280-A284 PolarHBondContact O-N 3.36Å
281F96.9Very high93.1Very high1 Ų133.2 Ų33.20%0.00418%0.179CC..Hα-helixtrans-70.7-38.6175.3-71.6-78.1000112.6I61 L65 V66 A69 F129 W277 W278 L279 A284 S285I61-F281 HydrophobicContact CG2-CE1 4.3Å; L65-F281 HydrophobicContact CB-CD1 4.35Å; L65-F281 HydrophobicContact CB-CE1 3.7Å; L65-F281 HydrophobicContact CB-CE2 4.17Å; L65-F281 HydrophobicContact CB-CZ 3.6Å; L65-F281 HydrophobicContact CD1-CD1 4.17Å; L65-F281 HydrophobicContact CD1-CE1 4.34Å; L65-F281 HydrophobicContact CD1-CG 4.45Å; V66-F281 HydrophobicContact CG2-CE1 3.84Å; V66-F281 HydrophobicContact CG2-CZ 3.87Å; A69-F281 HydrophobicContact CB-CE2 4.05Å; A69-F281 HydrophobicContact CB-CZ 4.45Å; F129-F281 AromaticContact CD1-CD1 3.88Å; F129-F281 HydrophobicContact CD1-CD1 3.88Å; F129-F281 AromaticContact CD1-CD2 3.81Å; F129-F281 HydrophobicContact CD1-CD2 3.81Å; F129-F281 AromaticContact CD1-CE1 3.73Å; F129-F281 HydrophobicContact CD1-CE1 3.73Å; F129-F281 AromaticContact CD1-CE2 3.67Å; F129-F281 HydrophobicContact CD1-CE2 3.67Å; F129-F281 AromaticContact CD1-CG 3.92Å; F129-F281 HydrophobicContact CD1-CG 3.92Å; F129-F281 AromaticContact CD1-CZ 3.61Å; F129-F281 HydrophobicContact CD1-CZ 3.61Å; F129-F281 HydrophobicContact CE1-CD2 4.1Å; F129-F281 AromaticContact CE1-CE1 3.95Å; F129-F281 HydrophobicContact CE1-CE1 3.95Å; F129-F281 AromaticContact CE1-CE2 3.5Å; F129-F281 HydrophobicContact CE1-CE2 3.5Å; F129-F281 VanDerWaalsContact CE1-CE2 3.5Å; F129-F281 AromaticContact CE1-CZ 3.4Å; F129-F281 HydrophobicContact CE1-CZ 3.4Å; F129-F281 HydrophobicContact CG-CD1 4.41Å; F129-F281 HydrophobicContact CG-CE1 4.32Å; F129-F281 HydrophobicContact CZ-CZ 4.21Å; W277-F281 HydrophobicContact CE3-CD2 4.04Å; W277-F281 HydrophobicContact CE3-CE2 4.05Å; W277-F281 HydrophobicContact CZ3-CD2 4.43Å; W277-F281 VanDerWaalsContact O-CD2 3.27Å; W277-F281 WeakPolarHBondContact O-CD2 3.26Å; W278-F281 PolarHBondContact O-N 3.29Å; L279-F281 VanDerWaalsContact C-N 3.32Å; L279-F281 PolarHBondContact O-N 2.97Å; F281-A284 PolarHBondContact O-N 2.94Å; F281-S285 WeakPolarHBondContact O-CB 3.37Å; F281-S285 PolarHBondContact O-N 2.94Å
282I96.6Very high94.1Very high57 Ų5733.3 Ų33.329%0.29218%0.18SC..Hα-helixtrans-64.4-45.8174.2-64.7-177.1000110.3W278 L279 A284 S285 F286W278-I282 HydrophobicContact CE3-CD1 3.51Å; W278-I282 HydrophobicContact CE3-CG1 4.35Å; W278-I282 HydrophobicContact CZ3-CD1 3.73Å; W278-I282 PolarHBondContact O-N 2.86Å; W278-I282 VanDerWaalsContact O-N 3.16Å; L279-I282 PolarHBondContact O-N 3.23Å; I282-A284 PolarHBondContact O-N 3.49Å; I282-S285 PolarHBondContact O-N 2.95Å; I282-F286 PolarHBondContact O-N 3.18Å
283A96.6Very high94.8Very high55 Ų5538.2 Ų38.246%0.45521%0.205SC..Hα-helixtrans-59.9-46.1176.300000111.8L279 S285 F286 V287L279-A283 PolarHBondContact O-N 2.76Å; A283-S285 VanDerWaalsContact C-N 3.32Å; A283-S285 PolarHBondContact O-N 3.25Å; A283-F286 PolarHBondContact O-N 3.08Å; A283-V287 WeakPolarHBondContact O-CG2 3.4Å; A283-V287 PolarHBondContact O-N 3.23Å; A283-V287 VanDerWaalsContact O-N 3.09Å
284A96.6Very high95.1Very high3 Ų339 Ų393%0.02521%0.213CC..Hα-helixtrans-60.1-40.8176.100000112.4L60 I61 L65 S280 F281 I282 G288L60-A284 HydrophobicContact CD2-CB 3.52Å; I61-A284 HydrophobicContact CD1-CB 4.27Å; I61-A284 HydrophobicContact CG1-CB 3.86Å; L65-A284 HydrophobicContact CD1-CB 3.99Å; S280-A284 VanDerWaalsContact O-CB 3.29Å; S280-A284 WeakPolarHBondContact O-CB 3.47Å; S280-A284 PolarHBondContact O-N 3.36Å; F281-A284 PolarHBondContact O-N 2.94Å; I282-A284 PolarHBondContact O-N 3.49Å; A284-G288 PolarHBondContact O-N 2.74Å
285S97.3Very high95.3Very high1 Ų139.1 Ų39.11%0.00721%0.214CC..Hα-helixtrans-64.5-45.3177.2-174.90000112.5A123 L127 F281 I282 A283 V287 G288 F289A123-S285 WeakPolarHBondContact O-CB 3.35Å; A123-S285 PolarHBondContact O-OG 3.3Å; L127-S285 WeakPolarHBondContact CG-OG 3.16Å; F281-S285 WeakPolarHBondContact O-CB 3.37Å; F281-S285 PolarHBondContact O-N 2.94Å; I282-S285 PolarHBondContact O-N 2.95Å; A283-S285 VanDerWaalsContact C-N 3.32Å; A283-S285 PolarHBondContact O-N 3.25Å; S285-V287 PolarHBondContact O-N 3.25Å; S285-G288 WeakPolarHBondContact O-CA 3.36Å; S285-G288 PolarHBondContact O-N 3.12Å; S285-G288 VanDerWaalsContact O-N 3.11Å; S285-F289 VanDerWaalsContact O-CD2 3.29Å; S285-F289 WeakPolarHBondContact O-CD2 2.86Å; S285-F289 PolarHBondContact O-N 3.32Å; S285-F289 WeakPolarHBondContact OG-CD2 3.34Å; S285-F289 VanDerWaalsContact OG-CE2 3.26Å; S285-F289 WeakPolarHBondContact OG-CE2 3.02Å
286F97.3Very high95.4Very high144 Ų14440.4 Ų40.463%0.63222%0.224SC*.Hα-helixtrans-58.1-48.4177177.3-101.2000111.4I282 A283 G288 F289 V290I282-F286 PolarHBondContact O-N 3.18Å; A283-F286 PolarHBondContact O-N 3.08Å; F286-G288 VanDerWaalsContact C-N 3.29Å; F286-G288 PolarHBondContact O-N 3.48Å; F286-F289 PolarHBondContact O-N 3.24Å; F286-V290 HydrophobicContact CD1-CG2 4.46Å; F286-V290 HydrophobicContact CE1-CG2 4.09Å; F286-V290 HydrophobicContact CE2-CG2 4.29Å; F286-V290 HydrophobicContact CZ-CG2 4Å; F286-V290 WeakPolarHBondContact O-CG2 3.41Å; F286-V290 PolarHBondContact O-N 3Å
287V96.3Very high95.3Very high77 Ų7740.5 Ų40.547%0.46723%0.225SC..Hα-helixtrans-59.4-41.5175.1174.80000111.2I57 A283 S285 V290 A291I57-V287 HydrophobicContact CD1-CG1 4.01Å; I57-V287 HydrophobicContact CG1-CG1 4.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.4Å; A283-V287 PolarHBondContact O-N 3.23Å; A283-V287 VanDerWaalsContact O-N 3.09Å; S285-V287 PolarHBondContact O-N 3.25Å; V287-V290 PolarHBondContact O-N 3.03Å; V287-A291 WeakPolarHBondContact O-CB 3.39Å; V287-A291 PolarHBondContact O-N 3.06Å
288G96.4Very high95.1Very high1 Ų140.4 Ų40.41%0.0123%0.225CC..Hα-helixtrans-56.2-54.2174.400000113A284 S285 F286 V290 A291 V292A284-G288 PolarHBondContact O-N 2.74Å; S285-G288 WeakPolarHBondContact O-CA 3.36Å; S285-G288 PolarHBondContact O-N 3.12Å; S285-G288 VanDerWaalsContact O-N 3.11Å; F286-G288 VanDerWaalsContact C-N 3.29Å; F286-G288 PolarHBondContact O-N 3.48Å; G288-V290 VanDerWaalsContact C-N 3.33Å; G288-V290 PolarHBondContact O-N 3.12Å; G288-A291 PolarHBondContact O-N 3.36Å; G288-A291 VanDerWaalsContact O-N 3.11Å; G288-V292 WeakPolarHBondContact O-CG2 3.43Å; G288-V292 PolarHBondContact O-N 3.45Å; G288-V292 VanDerWaalsContact O-N 3.12Å
289F97.5Very high94.7Very high82 Ų8238.6 Ų38.636%0.3622%0.218SC..Hα-helixtrans-62.3-38.2179.2-78.2-61.5000113A123 L124 L127 S285 F286 A291 V292A123-F289 HydrophobicContact CB-CD1 4.1Å; A123-F289 HydrophobicContact CB-CD2 3.82Å; A123-F289 HydrophobicContact CB-CE1 4.01Å; A123-F289 HydrophobicContact CB-CE2 3.72Å; A123-F289 HydrophobicContact CB-CG 4Å; A123-F289 HydrophobicContact CB-CZ 3.83Å; L124-F289 HydrophobicContact CB-CZ 4.27Å; L127-F289 HydrophobicContact CD1-CE2 3.68Å; L127-F289 HydrophobicContact CD1-CZ 4.38Å; L127-F289 HydrophobicContact CG-CE2 4.36Å; S285-F289 VanDerWaalsContact O-CD2 3.29Å; S285-F289 WeakPolarHBondContact O-CD2 2.86Å; S285-F289 PolarHBondContact O-N 3.32Å; S285-F289 WeakPolarHBondContact OG-CD2 3.34Å; S285-F289 VanDerWaalsContact OG-CE2 3.26Å; S285-F289 WeakPolarHBondContact OG-CE2 3.02Å; F286-F289 PolarHBondContact O-N 3.24Å; F289-A291 VanDerWaalsContact C-N 3.3Å; F289-A291 PolarHBondContact O-N 3.16Å; F289-V292 WeakPolarHBondContact O-CB 3.44Å; F289-V292 PolarHBondContact O-N 2.93Å
290V96.5Very high94.1Very high81 Ų8139.2 Ų39.249%0.49122%0.218SC..Hα-helixtrans-62.2-39.7174.4171.90000110.9F286 V287 G288 V292 P294F286-V290 HydrophobicContact CD1-CG2 4.46Å; F286-V290 HydrophobicContact CE1-CG2 4.09Å; F286-V290 HydrophobicContact CE2-CG2 4.29Å; F286-V290 HydrophobicContact CZ-CG2 4Å; F286-V290 WeakPolarHBondContact O-CG2 3.41Å; F286-V290 PolarHBondContact O-N 3Å; V287-V290 PolarHBondContact O-N 3.03Å; G288-V290 VanDerWaalsContact C-N 3.33Å; G288-V290 PolarHBondContact O-N 3.12Å; V290-V292 VanDerWaalsContact C-N 3.34Å; V290-V292 PolarHBondContact O-N 3.04Å; V290-P294 WeakPolarHBondContact O-CD 3.37Å
291A95.6Very high93.4Very high12 Ų1239.2 Ų39.210%0.09922%0.217CC..Hα-helixtrans-73.6-18.6179.100000114.3V53 I57 L119 V287 G288 F289 L293 P294 L295V53-A291 HydrophobicContact CG1-CB 4.14Å; I57-A291 HydrophobicContact CD1-CB 4.1Å; L119-A291 HydrophobicContact CD2-CB 3.82Å; V287-A291 WeakPolarHBondContact O-CB 3.39Å; V287-A291 PolarHBondContact O-N 3.06Å; G288-A291 PolarHBondContact O-N 3.36Å; G288-A291 VanDerWaalsContact O-N 3.11Å; F289-A291 VanDerWaalsContact C-N 3.3Å; F289-A291 PolarHBondContact O-N 3.16Å; A291-L293 PolarHBondContact O-N 3.25Å; A291-P294 WeakPolarHBondContact O-CD 3.49Å; A291-P294 WeakPolarHBondContact O-CG 3.48Å; A291-L295 VanDerWaalsContact O-CB 3.29Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 PolarHBondContact O-N 3.38Å
292V96.4Very high92.7Very high25 Ų2539.2 Ų39.215%0.15222%0.217CC..Hα-helixtrans-60.7-43.4175.2172.80000111.6A116 L119 A120 G288 F289 V290 L295 A296A116-V292 HydrophobicContact CB-CG1 4.23Å; L119-V292 HydrophobicContact CB-CG2 4.21Å; L119-V292 HydrophobicContact CD2-CG2 4.07Å; L119-V292 HydrophobicContact CG-CG2 3.82Å; A120-V292 HydrophobicContact CB-CG1 4.34Å; A120-V292 HydrophobicContact CB-CG2 3.85Å; G288-V292 WeakPolarHBondContact O-CG2 3.43Å; G288-V292 PolarHBondContact O-N 3.45Å; G288-V292 VanDerWaalsContact O-N 3.12Å; F289-V292 WeakPolarHBondContact O-CB 3.44Å; F289-V292 PolarHBondContact O-N 2.93Å; V290-V292 VanDerWaalsContact C-N 3.34Å; V290-V292 PolarHBondContact O-N 3.04Å; V292-L295 PolarHBondContact O-N 3.45Å; V292-A296 VanDerWaalsContact O-CB 3.28Å; V292-A296 WeakPolarHBondContact O-CB 3.43Å; V292-A296 PolarHBondContact O-N 3.35Å
293L92.3Very high91.9Very high115 Ų11539.1 Ų39.160%0.60222%0.221SC*.Hα-helixtrans-60.8-54.4-176.1-65.7177.5000113.6A291 L295 A296 S297A291-L293 PolarHBondContact O-N 3.25Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.14Å; L293-A296 PolarHBondContact O-N 2.64Å; L293-S297 PolarHBondContact O-N 2.85Å
294P92.8Very high91Very high40 Ų4039.6 Ų39.626%0.2622%0.224SC..Hα-helixtrans-65.8-34.5177.526.4-34.4000112L41 L50 V290 A291 S297L41-P294 HydrophobicContact CD1-CB 4.47Å; L50-P294 HydrophobicContact CD1-CB 4.12Å; L50-P294 HydrophobicContact CD2-CB 3.77Å; L50-P294 HydrophobicContact CD2-CG 3.77Å; V290-P294 WeakPolarHBondContact O-CD 3.37Å; A291-P294 WeakPolarHBondContact O-CD 3.49Å; A291-P294 WeakPolarHBondContact O-CG 3.48Å; P294-S297 WeakPolarHBondContact CA-OG 3.23Å; P294-S297 PolarHBondContact O-N 3.24Å; P294-S297 PolarHBondContact O-OG 3.23Å
295L92.9Very high90Very high2 Ų239.8 Ų39.81%0.0123%0.225CC..Hα-helixtrans-65.4-42.9177.3-171.865.2000112.1L50 L51 Y54 L115 A116 L119 A291 V292 L293 S297 L298L50-L295 HydrophobicContact CB-CD1 4.12Å; L51-L295 HydrophobicContact CD2-CD1 4.39Å; Y54-L295 HydrophobicContact CD1-CD2 4.03Å; L115-L295 HydrophobicContact CB-CD2 4.13Å; L115-L295 HydrophobicContact CB-CG 4.4Å; A116-L295 HydrophobicContact CB-CB 4.47Å; A116-L295 HydrophobicContact CB-CD2 4.44Å; A116-L295 HydrophobicContact CB-CG 4.36Å; L119-L295 HydrophobicContact CB-CD2 4.27Å; L119-L295 HydrophobicContact CD2-CD2 3.88Å; A291-L295 VanDerWaalsContact O-CB 3.29Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 PolarHBondContact O-N 3.38Å; V292-L295 PolarHBondContact O-N 3.45Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.14Å; L295-S297 PolarHBondContact O-N 3.18Å; L295-L298 HydrophobicContact CD1-CD1 3.95Å; L295-L298 PolarHBondContact O-N 3.45Å
296A92.1Very high89Confident27 Ų2740.8 Ų40.822%0.22323%0.23CC..Hα-helixtrans-65.8-24.9176.600000113A116 V292 L293A116-A296 HydrophobicContact CB-CB 3.69Å; V292-A296 VanDerWaalsContact O-CB 3.28Å; V292-A296 WeakPolarHBondContact O-CB 3.43Å; V292-A296 PolarHBondContact O-N 3.35Å; L293-A296 PolarHBondContact O-N 2.64Å
297S90.9Very high88Confident2 Ų242.4 Ų42.41%0.01424%0.237CC..THydrogen-bonded Turntrans-82.3-9.9-178.573.50000114.9C28 G29 L41 L293 P294 L295C28-S297 CarbonylContact C-O 3.56Å; C28-S297 WeakPolarHBondContact CA-O 3.34Å; C28-S297 WeakPolarHBondContact CB-O 3.43Å; G29-S297 PolarHBondContact N-O 3.38Å; L41-S297 WeakPolarHBondContact CD1-OG 3.39Å; L293-S297 PolarHBondContact O-N 2.85Å; P294-S297 WeakPolarHBondContact CA-OG 3.23Å; P294-S297 PolarHBondContact O-N 3.24Å; P294-S297 PolarHBondContact O-OG 3.23Å; L295-S297 PolarHBondContact O-N 3.18Å
298L90.4Very high86.8Confident4 Ų442.9 Ų42.92%0.02123%0.231CC..SBendtrans-61.6145.5177.9-74.3173.1000111.4L41 M47 L50 P112 Y211 L295L41-L298 HydrophobicContact CB-CD2 4.32Å; L41-L298 WeakPolarHBondContact O-CD2 3.3Å; M47-L298 HydrophobicContact CB-CD2 4.42Å; L50-L298 HydrophobicContact CB-CD1 4.48Å; L50-L298 HydrophobicContact CD1-CD1 3.97Å; L50-L298 HydrophobicContact CD1-CD2 4.01Å; L50-L298 HydrophobicContact CD1-CG 3.96Å; P112-L298 HydrophobicContact CB-CB 3.83Å; P112-L298 HydrophobicContact CG-CB 3.97Å; Y211-L298 HydrophobicContact CE1-CD1 4.31Å; L295-L298 HydrophobicContact CD1-CD1 3.95Å; L295-L298 PolarHBondContact O-N 3.45Å
299P86.5Confident85.6Confident0 Ų045 Ų450%024%0.24CC..  trans-72.7157.1178.332.9-33.1000110.3S26 C28 P112 Y211 V301 L302S26-P299 WeakPolarHBondContact O-CB 3.46Å; C28-P299 VanDerWaalsContact SG-CD 3.6Å; P112-P299 WeakPolarHBondContact CG-O 2.93Å; Y211-P299 PolarHBondContact OH-O 3.07Å; P299-V301 VanDerWaalsContact C-N 3.29Å; P299-L302 HydrophobicContact CG-CD2 4.45Å
300K82.9Confident84.6Confident79 Ų7947.3 Ų47.334%0.34325%0.246SC..SBendtrans-69.8-33.9177-64-179.5-174.3178.60111.9E25E25-K300 HydrophobicContact CB-CB 4.27Å; E25-K300 HydrophobicContact CB-CD 4.21Å; E25-K300 HydrophobicContact CG-CD 4.03Å; E25-K300 PolarHBondContact O-N 2.8Å; E25-K300 VanDerWaalsContact O-N 3.07Å; E25-K300 WeakPolarHBondContact OE1-CD 3.28Å; E25-K300 IonicContact OE1-NZ 3.19Å; E25-K300 PolarHBondContact OE1-NZ 3.41Å
301V80.8Confident83.6Confident16 Ų1646.3 Ų46.310%0.09724%0.243CC..SBendtrans-132.4130.2179.7-176.40000108L22 S26 N215 P299 S305 L306L22-V301 HydrophobicContact CD2-CG2 3.87Å; S26-V301 WeakPolarHBondContact CA-O 3.47Å; S26-V301 VanDerWaalsContact CB-O 3.28Å; S26-V301 WeakPolarHBondContact CB-O 3.34Å; N215-V301 WeakPolarHBondContact OD1-CA 3.43Å; P299-V301 VanDerWaalsContact C-N 3.29Å; V301-S305 WeakPolarHBondContact CG1-OG 3.29Å; V301-L306 HydrophobicContact CG1-CD2 4.32Å
302L82.6Confident82.4Confident0 Ų051.5 Ų51.50%026%0.26CS..  trans-68.6136.3179.5-87.8157.3000111G42 K43 Q44 M47 N215 P299 A304 S305 L306G42-L302 WeakPolarHBondContact O-CD2 2.75Å; K43-L302 VanDerWaalsContact C-CD2 3.45Å; Q44-L302 HydrophobicContact CG-CD1 4.03Å; M47-L302 HydrophobicContact CB-CD1 4.43Å; M47-L302 HydrophobicContact CE-CD1 3.99Å; M47-L302 HydrophobicContact SD-CD1 3.45Å; M47-L302 WeakPolarHBondContact SD-CD1 3.41Å; N215-L302 HydrophobicContact CB-CB 4.27Å; N215-L302 HydrophobicContact CB-CD1 3.5Å; N215-L302 HydrophobicContact CB-CG 4.24Å; N215-L302 PolarHBondContact OD1-N 3.1Å; P299-L302 HydrophobicContact CG-CD2 4.45Å; L302-A304 PolarHBondContact O-N 2.81Å; L302-A304 VanDerWaalsContact O-N 3.07Å; L302-S305 PolarHBondContact N-OG 3.2Å; L302-S305 PolarHBondContact O-N 3.01Å; L302-S305 PolarHBondContact O-OG 3.12Å; L302-L306 PolarHBondContact O-N 3.45Å
303P79.7Confident81.1Confident56 Ų5651 Ų5136%0.36426%0.257SS..THydrogen-bonded Turntrans-53.7-33.4176.6-28.133.1000113.8G42 S305 L306G42-P303 WeakPolarHBondContact O-CD 3.16Å; P303-S305 VanDerWaalsContact C-N 3.35Å; P303-L306 WeakPolarHBondContact O-CB 3.32Å; P303-L306 PolarHBondContact O-N 3.21Å
304A77.1Confident80.2Confident64 Ų6449.7 Ų49.753%0.52925%0.247SC..THydrogen-bonded Turntrans-68.4-30.6176.600000113.2L302 L306L302-A304 PolarHBondContact O-N 2.81Å; L302-A304 VanDerWaalsContact O-N 3.07Å; A304-L306 VanDerWaalsContact C-N 3.34Å
305S75.3Confident79.1Confident7 Ų752.1 Ų52.15%0.04926%0.258CS..THydrogen-bonded Turntrans-81.5-12.8179.768.60000112.8V301 L302 P303 K307 W308 H309V301-S305 WeakPolarHBondContact CG1-OG 3.29Å; L302-S305 PolarHBondContact N-OG 3.2Å; L302-S305 PolarHBondContact O-N 3.01Å; L302-S305 PolarHBondContact O-OG 3.12Å; P303-S305 VanDerWaalsContact C-N 3.35Å; S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 3.11Å; S305-W308 PolarHBondContact O-N 3.06Å; S305-W308 VanDerWaalsContact O-N 3.15Å; S305-H309 PolarHBondContact O-N 2.96Å; S305-H309 PolarHBondContact O-ND1 3.41Å
306L76.4Confident77.8Confident22 Ų2254 Ų5412%0.11527%0.274CS..Hα-helixtrans-58-39.5177-69.9170.1000112.9M19 L22 V301 L302 P303 A304 W308 H309 R310M19-L306 HydrophobicContact CE-CB 4.16Å; M19-L306 HydrophobicContact CE-CD2 3.5Å; M19-L306 HydrophobicContact CE-CG 4.42Å; L22-L306 HydrophobicContact CB-CD2 3.64Å; V301-L306 HydrophobicContact CG1-CD2 4.32Å; L302-L306 PolarHBondContact O-N 3.45Å; P303-L306 WeakPolarHBondContact O-CB 3.32Å; P303-L306 PolarHBondContact O-N 3.21Å; A304-L306 VanDerWaalsContact C-N 3.34Å; L306-W308 VanDerWaalsContact C-N 3.28Å; L306-W308 PolarHBondContact O-N 3.39Å; L306-H309 PolarHBondContact O-N 3.26Å; L306-R310 WeakPolarHBondContact O-CB 3.41Å; L306-R310 PolarHBondContact O-N 3.38Å
307K76.4Confident76.7Confident179 Ų17953.4 Ų53.478%0.77827%0.269SS*.Hα-helixtrans-60.2-40.8178.1-69.1-175.2179.4-176.20111.7S305 R310 S311S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 3.11Å; K307-R310 PolarHBondContact O-N 3.04Å; K307-S311 PolarHBondContact O-N 2.89Å; K307-S311 VanDerWaalsContact O-N 3.15Å
308W71Confident75.7Confident86 Ų8656.3 Ų56.333%0.32629%0.287SS..Hα-helixtrans-74-39.6179.7-179.883.5000112.1S305 L306 R310 S311 R312S305-W308 PolarHBondContact O-N 3.06Å; S305-W308 VanDerWaalsContact O-N 3.15Å; L306-W308 VanDerWaalsContact C-N 3.28Å; L306-W308 PolarHBondContact O-N 3.39Å; W308-R310 VanDerWaalsContact C-N 3.29Å; W308-R310 PolarHBondContact O-N 3.36Å; W308-S311 PolarHBondContact O-N 3.15Å; W308-R312 HydrophobicContact CD2-CG 4.5Å; W308-R312 VanDerWaalsContact CH2-NE 3.34Å; W308-R312 HydrophobicContact CZ2-CG 4.49Å; W308-R312 VanDerWaalsContact CZ2-NH2 3.27Å; W308-R312 PolarHBondContact O-N 3.16Å
309H70.8Confident74.6Confident45 Ų4558.9 Ų58.921%0.20831%0.309CS..Hα-helixtrans-59-41.8171.6-77.677.7000111.4L22 S305 L306 R312 L313L22-H309 HydrophobicContact CD1-CB 4.48Å; S305-H309 PolarHBondContact O-N 2.96Å; S305-H309 PolarHBondContact O-ND1 3.41Å; L306-H309 PolarHBondContact O-N 3.26Å; H309-R312 PolarHBondContact O-N 3.31Å; H309-L313 WeakPolarHBondContact O-CB 3.4Å; H309-L313 VanDerWaalsContact O-CG 3.26Å; H309-L313 WeakPolarHBondContact O-CG 3.27Å; H309-L313 PolarHBondContact O-N 2.98Å
310R76.9Confident73.1Confident131 Ų13165.4 Ų65.449%0.49434%0.344SS..Hα-helixtrans-60.4-45.3175.6-164.8178.3-139.6132.32.1112.4M19 L306 K307 W308 L313 H314M19-R310 HydrophobicContact CG-CG 4.29Å; M19-R310 HydrophobicContact SD-CB 3.77Å; M19-R310 HydrophobicContact SD-CG 3.96Å; L306-R310 WeakPolarHBondContact O-CB 3.41Å; L306-R310 PolarHBondContact O-N 3.38Å; K307-R310 PolarHBondContact O-N 3.04Å; W308-R310 VanDerWaalsContact C-N 3.29Å; W308-R310 PolarHBondContact O-N 3.36Å; R310-L313 PolarHBondContact O-N 3.46Å; R310-H314 WeakPolarHBondContact O-CB 3.15Å; R310-H314 PolarHBondContact O-N 3.36Å
311S75.1Confident71.2Confident61 Ų6171.4 Ų71.443%0.42736%0.364SS..Hα-helixtrans-59.8-48176.1-163.40000111.1K307 W308 L313 H314 D315K307-S311 PolarHBondContact O-N 2.89Å; K307-S311 VanDerWaalsContact O-N 3.15Å; W308-S311 PolarHBondContact O-N 3.15Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.49Å; S311-H314 WeakPolarHBondContact O-CB 3.5Å; S311-H314 PolarHBondContact O-N 2.94Å; S311-H314 VanDerWaalsContact O-N 3.11Å; S311-D315 PolarHBondContact O-N 3.47Å
312R71Confident69.2Low121 Ų12181.1 Ų81.146%0.45740%0.399SS..Hα-helixtrans-61.1-39.9178.2-81.6-162.2163.4-176.52.8113.5W308 H309 H314 D315 A316W308-R312 HydrophobicContact CD2-CG 4.5Å; W308-R312 VanDerWaalsContact CH2-NE 3.34Å; W308-R312 HydrophobicContact CZ2-CG 4.49Å; W308-R312 VanDerWaalsContact CZ2-NH2 3.27Å; W308-R312 PolarHBondContact O-N 3.16Å; H309-R312 PolarHBondContact O-N 3.31Å; R312-H314 VanDerWaalsContact C-N 3.3Å; R312-D315 PolarHBondContact O-N 2.93Å; R312-A316 VanDerWaalsContact O-CB 3.28Å; R312-A316 WeakPolarHBondContact O-CB 3.37Å; R312-A316 PolarHBondContact O-N 3.07Å
313L68.8Low66.9Low14 Ų1486.4 Ų86.47%0.07342%0.419CS..Hα-helixtrans-62.8-40.3175.5-74169.6000111.4I15 E18 H309 R310 S311 A317 R323I15-L313 HydrophobicContact CG1-CB 4.31Å; I15-L313 HydrophobicContact CG2-CB 4.16Å; I15-L313 HydrophobicContact CG2-CD1 4.4Å; E18-L313 HydrophobicContact CB-CD1 4.45Å; E18-L313 WeakPolarHBondContact OE2-CD2 3.39Å; H309-L313 WeakPolarHBondContact O-CB 3.4Å; H309-L313 VanDerWaalsContact O-CG 3.26Å; H309-L313 WeakPolarHBondContact O-CG 3.27Å; H309-L313 PolarHBondContact O-N 2.98Å; R310-L313 PolarHBondContact O-N 3.46Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.49Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 3.26Å; L313-R323 VanDerWaalsContact CD2-NH2 3.27Å
314H73.1Confident64.4Low87 Ų8789.3 Ų89.340%0.40344%0.436SS..Hα-helixtrans-67.1-46.8177.2-160.5-77000111.5I7 R310 S311 R312 A316 A317 V318I7-H314 WeakPolarHBondContact CD1-CE1 3.38Å; I7-H314 VanDerWaalsContact CD1-NE2 3.26Å; I7-H314 WeakPolarHBondContact CD1-NE2 3.32Å; R310-H314 WeakPolarHBondContact O-CB 3.15Å; R310-H314 PolarHBondContact O-N 3.36Å; S311-H314 WeakPolarHBondContact O-CB 3.5Å; S311-H314 PolarHBondContact O-N 2.94Å; S311-H314 VanDerWaalsContact O-N 3.11Å; R312-H314 VanDerWaalsContact C-N 3.3Å; H314-A316 VanDerWaalsContact C-N 3.32Å; H314-A316 PolarHBondContact O-N 3.3Å; H314-A317 PolarHBondContact O-N 3.49Å; H314-V318 VanDerWaalsContact O-CG2 3.3Å; H314-V318 WeakPolarHBondContact O-CG2 3.16Å; H314-V318 PolarHBondContact O-N 3.21Å
315D71.2Confident62.3Low91 Ų9191.2 Ų91.249%0.48744%0.443SS..Hα-helixtrans-62.6-39178.2-60.9-26.3000111.7S311 R312 V318 A319S311-D315 PolarHBondContact O-N 3.47Å; R312-D315 PolarHBondContact O-N 2.93Å; D315-V318 PolarHBondContact O-N 3.36Å; D315-A319 VanDerWaalsContact O-CB 3.29Å; D315-A319 WeakPolarHBondContact O-CB 3.49Å; D315-A319 PolarHBondContact O-N 2.93Å
316A65.4Low60.3Low41 Ų4197.9 Ų97.934%0.33947%0.473SS..Hα-helixtrans-66.4-39.517600000112.5R312 H314R312-A316 VanDerWaalsContact O-CB 3.28Å; R312-A316 WeakPolarHBondContact O-CB 3.37Å; R312-A316 PolarHBondContact O-N 3.07Å; H314-A316 VanDerWaalsContact C-N 3.32Å; H314-A316 PolarHBondContact O-N 3.3Å
317A68.9Low58.1Low16 Ų1699.8 Ų99.813%0.13249%0.488CS..Hα-helixtrans-65.3-42.2175.200000111.7I15 L313 H314 N320I15-A317 HydrophobicContact CD1-CB 3.91Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 3.26Å; H314-A317 PolarHBondContact O-N 3.49Å; A317-N320 PolarHBondContact O-N 2.97Å
318V68.9Low55.9Low62 Ų6296 Ų9638%0.37648%0.482SS..Hα-helixtrans-67.5-39.9177.8173.80000111.8V5 I7 H314 D315 N320V5-V318 HydrophobicContact CG1-CG1 4.28Å; I7-V318 HydrophobicContact CD1-CG2 3.86Å; I7-V318 HydrophobicContact CG1-CG2 3.91Å; H314-V318 VanDerWaalsContact O-CG2 3.3Å; H314-V318 WeakPolarHBondContact O-CG2 3.16Å; H314-V318 PolarHBondContact O-N 3.21Å; D315-V318 PolarHBondContact O-N 3.36Å; V318-N320 PolarHBondContact O-N 3.45Å; V318-N320 VanDerWaalsContact O-N 3.1Å
319A67.3Low54Low59 Ų5993.9 Ų93.949%0.48849%0.488SS..THydrogen-bonded Turntrans-69.7-5.1-179.600000114D315 R321D315-A319 VanDerWaalsContact O-CB 3.29Å; D315-A319 WeakPolarHBondContact O-CB 3.49Å; D315-A319 PolarHBondContact O-N 2.93Å; A319-R321 HydrophobicContact CB-CB 4.42Å; A319-R321 HydrophobicContact CB-CG 4.2Å; A319-R321 PolarHBondContact O-N 3.37Å
320N55.4Low51.9Low137 Ų13795.4 Ų95.473%0.73350%0.496SS*.THydrogen-bonded Turntrans4724.8-174-138.21.5000112.9A317 V318 R322A317-N320 PolarHBondContact O-N 2.97Å; V318-N320 PolarHBondContact O-N 3.45Å; V318-N320 VanDerWaalsContact O-N 3.1Å; N320-R322 PolarHBondContact O-N 2.91Å
321R44.2Very low49.4Very low205 Ų20593.1 Ų93.177%0.77450%0.498SS*.  trans-75.6114.5176.9-86-172.8-179.6-170.92.3106.1A319 R323A319-R321 HydrophobicContact CB-CB 4.42Å; A319-R321 HydrophobicContact CB-CG 4.2Å; A319-R321 PolarHBondContact O-N 3.37Å; R321-R323 PolarHBondContact O-N 3.01Å
322R37.1Very low47.1Very low220 Ų22093.4 Ų93.483%0.8351%0.51SS*.  trans-47.4115.7169.7-71.9-178.6-172174.53.6108.4N320 T324N320-R322 PolarHBondContact O-N 2.91Å; R322-T324 PolarHBondContact O-N 3.13Å
323R35.6Very low45Very low111 Ų11192.4 Ų92.442%0.41952%0.522SS..  trans-61.2106.5156.1-105.2-175.4168.8171.5-2.4106.4E18 L313 R321 E326E18-R323 IonicContact OE1-NH1 2.77Å; E18-R323 PolarHBondContact OE1-NH1 3.41Å; E18-R323 IonicContact OE2-CZ 3.5Å; E18-R323 IonicContact OE2-NH1 2.68Å; E18-R323 PolarHBondContact OE2-NH1 2.02Å; E18-R323 IonicContact OE2-NH2 3.71Å; L313-R323 VanDerWaalsContact CD2-NH2 3.27Å; R321-R323 PolarHBondContact O-N 3.01Å; R323-E326 IonicContact CZ-OE2 3.13Å; R323-E326 IonicContact NE-OE2 2.7Å; R323-E326 IonicContact NH2-OE2 2.92Å; R323-E326 PolarHBondContact NH2-OE2 2.92Å; R323-E326 VanDerWaalsContact NH2-OE2 3.13Å
324T27.5Very low43Very low116 Ų11699.1 Ų99.171%0.71256%0.558SS**  trans-65.8137.4132.9460000104.9R322 E326R322-T324 PolarHBondContact O-N 3.13Å; T324-E326 PolarHBondContact O-N 3.09Å; T324-E326 VanDerWaalsContact O-N 3.09Å
325P31.5Very low40.8Very low105 Ų105103.8 Ų103.868%0.68258%0.577SS**  trans-51.7127.4176.222.6-31000106.9C327P325-C327 PolarHBondContact O-N 2.89Å
326E33.5Very low38.6Very low147 Ų147106.2 Ų106.269%0.68760%0.595SS**  trans-6083174.4-75.9168.9125.600108.3R323 T324R323-E326 IonicContact CZ-OE2 3.13Å; R323-E326 IonicContact NE-OE2 2.7Å; R323-E326 IonicContact NH2-OE2 2.92Å; R323-E326 PolarHBondContact NH2-OE2 2.92Å; R323-E326 VanDerWaalsContact NH2-OE2 3.13Å; T324-E326 PolarHBondContact O-N 3.09Å; T324-E326 VanDerWaalsContact O-N 3.09Å
327C29.8Very low36.8Very low62 Ų62108.4 Ų108.442%0.41961%0.613SS.*  trans-82.9102.2152.1-74.70000104.6P325 G329P325-C327 PolarHBondContact O-N 2.89Å; C327-G329 PolarHBondContact O-N 3.35Å
328C30.2Very low34.7Very low99 Ų99112.2 Ų112.267%0.66965%0.645SS**SBendtrans2597.9160.7-59.70000116M330C328-M330 PolarHBondContact O-N 3.31Å
329G32.3Very low32.6Very low42 Ų42116.7 Ų116.743%0.43367%0.666SS.*SBendtrans62.835.7142.500000119.8C327 N621C327-G329 PolarHBondContact O-N 3.35Å; G329-N621 CarbonylContact O-C 3.37Å
330M25.5Very low30.8Very low76 Ų76121.4 Ų121.437%0.37468%0.683SS.*  trans-144.6127.2159.9-77.9-153.1-65.400113.5C328 G332 H374 A378 R381C328-M330 PolarHBondContact O-N 3.31Å; M330-G332 PolarHBondContact O-N 3.06Å; M330-H374 HydrophobicContact CE-CB 4.24Å; M330-A378 HydrophobicContact CE-CB 3.55Å; M330-A378 HydrophobicContact SD-CB 3.48Å; M330-A378 WeakPolarHBondContact SD-CB 3.42Å; M330-R381 PolarHBondContact SD-NH2 3.29Å
331P25.2Very low29.5Very low83 Ų83119.9 Ų119.954%0.53968%0.683SS.*PPolyproline II helixtrans-73.3121.7166.627.5-29.1000110.3S333P331-S333 PolarHBondContact O-N 3.16Å
332G26.2Very low28.7Very low67 Ų67117.2 Ų117.269%0.69168%0.684SS**PPolyproline II helixtrans-67.3121.9165.800000110.1M330 N334M330-G332 PolarHBondContact O-N 3.06Å; G332-N334 PolarHBondContact O-N 3.43Å
333S27.4Very low28.3Very low100 Ų100109.4 Ų109.470%0.69967%0.667SS**PPolyproline II helixtrans-62127.9174.5-178.70000111.1P331 K335P331-S333 PolarHBondContact O-N 3.16Å; S333-K335 PolarHBondContact O-N 3.22Å
334N26.7Very low27.8Very low155 Ų155108.9 Ų108.983%0.82968%0.678SS**SBendtrans-65.933.6-174.1-76.6-28.9000116.3G332G332-N334 PolarHBondContact O-N 3.43Å
335K26.3Very low28Very low185 Ų185112 Ų11280%0.80469%0.686SS**  trans-101.513.2-169.9-76-167.1176.9-178.30117.8S333S333-K335 PolarHBondContact O-N 3.22Å
336T26.7Very low28Very low142 Ų142111.3 Ų111.387%0.87169%0.69SS**SBendtrans-128.22177.219.60000116.6
337A26.6Very low27.7Very low87 Ų87110.3 Ų110.372%0.71969%0.685SS**SBendtrans-108.71.3177.600000114.6L339A337-L339 PolarHBondContact O-N 3.02Å; A337-L339 VanDerWaalsContact O-N 3.17Å
338A24.5Very low27.7Very low96 Ų96112 Ų11279%0.79369%0.687SS**THydrogen-bonded Turntrans-79.915.2-178.600000114.4
339L25.5Very low27.6Very low156 Ų156110.7 Ų110.782%0.81768%0.683SS**THydrogen-bonded Turntrans-109.56.4-172.7-113.8152.5000115.1A337A337-L339 PolarHBondContact O-N 3.02Å; A337-L339 VanDerWaalsContact O-N 3.17Å
340N29.4Very low27.3Very low158 Ų158112.4 Ų112.485%0.84569%0.688SS**  trans-145.985170.4-83.9-30.4000109.7
341S26.9Very low27.5Very low106 Ų106113.9 Ų113.974%0.74170%0.697SS**  trans-86.9-4.9175.7580000114.4
342D28.1Very low27.8Very low149 Ų149116.2 Ų116.280%0.79770%0.704SS**  trans-124.953-161-61.8-3.5000113.6
343A28Very low27.9Very low56 Ų56123.1 Ų123.146%0.46371%0.711SS.*  trans-123.5135.4168.700000111.9
344P26.5Very low27.9Very low100 Ų100122.2 Ų122.265%0.64970%0.704SS**  trans-72.1147.7-171.326.2-32000114.5A346 E347P344-A346 PolarHBondContact O-N 3.04Å; P344-E347 PolarHBondContact O-N 2.98Å
345M32.3Very low28.1Very low181 Ų181118.8 Ų118.889%0.89269%0.692SS**Hα-helixtrans-45.7-20.9-172.7-95.5171.963.100118
346A29.5Very low28.4Very low91 Ų91116 Ų11675%0.75269%0.685SS**Hα-helixtrans-77.4-25.7-176.800000113.1P344P344-A346 PolarHBondContact O-N 3.04Å
347E28.5Very low28.9Very low126 Ų126114.2 Ų114.259%0.58968%0.676SS**Hα-helixtrans-85.9-25-178-143.2167.9-172.100112.2P344 A349 S350P344-E347 PolarHBondContact O-N 2.98Å; E347-A349 VanDerWaalsContact C-N 3.32Å; E347-A349 PolarHBondContact O-N 3.47Å; E347-S350 PolarHBondContact O-N 3.18Å; E347-S350 PolarHBondContact O-OG 3.42Å
348Q29.2Very low29.2Very low98 Ų98113.7 Ų113.746%0.45867%0.671SS.*Hα-helixtrans-64.8-29175.5-113.175.53.300113.9S350 L351 L352Q348-S350 VanDerWaalsContact C-N 3.32Å; Q348-L351 PolarHBondContact O-N 2.6Å; Q348-L352 PolarHBondContact O-N 3.22Å
349A28.3Very low29.9Very low71 Ų71120 Ų12059%0.58768%0.675SS**Hα-helixtrans-69.6-30.6178.100000112.2E347 L352E347-A349 VanDerWaalsContact C-N 3.32Å; E347-A349 PolarHBondContact O-N 3.47Å; A349-L352 PolarHBondContact O-N 3.47Å
350S26.1Very low30.5Very low77 Ų77115.8 Ų115.854%0.53867%0.669SS.*Hα-helixtrans-71.6-31.2176.176.80000112.6E347 Q348 Y353E347-S350 PolarHBondContact O-N 3.18Å; E347-S350 PolarHBondContact O-OG 3.42Å; Q348-S350 VanDerWaalsContact C-N 3.32Å; S350-Y353 PolarHBondContact O-N 3.36Å
351L29.6Very low31.2Very low107 Ų107120 Ų12056%0.5667%0.673SS**Hα-helixtrans-75.6-25.9176.1-78.5169.4000113.1Q348 Y353 S354Q348-L351 PolarHBondContact O-N 2.6Å; L351-Y353 PolarHBondContact O-N 3.17Å; L351-S354 PolarHBondContact O-N 2.87Å; L351-S354 VanDerWaalsContact O-N 3.11Å; L351-S354 PolarHBondContact O-OG 2.99Å
352L30.8Very low32.5Very low132 Ų132116.7 Ų116.769%0.69166%0.655SS**Hα-helixtrans-66.7-26.7174.8-144.9105.3000112.3Q348 A349 S354Q348-L352 PolarHBondContact O-N 3.22Å; A349-L352 PolarHBondContact O-N 3.47Å; L352-S354 PolarHBondContact O-N 3.05Å
353Y29.8Very low34.4Very low213 Ų213112.3 Ų112.384%0.83564%0.635SS**Hα-helixtrans-72.8-18.7174.1-157.3-95.5000112.7S350 L351S350-Y353 PolarHBondContact O-N 3.36Å; L351-Y353 PolarHBondContact O-N 3.17Å
354S26.5Very low36.1Very low80 Ų80116.1 Ų116.156%0.55965%0.647SS**Hα-helixtrans-92.1-15.1-175.475.90000114.7L351 L352L351-S354 PolarHBondContact O-N 2.87Å; L351-S354 VanDerWaalsContact O-N 3.11Å; L351-S354 PolarHBondContact O-OG 2.99Å; L352-S354 PolarHBondContact O-N 3.05Å
355S30.5Very low38.1Very low83 Ų83120.4 Ų120.458%0.5865%0.65SS**Hα-helixtrans-100.2-15.8-169.156.50000115.7
356I33.9Very low39.8Very low127 Ų127117.7 Ų117.765%0.65163%0.631SS**SBendtrans-153.2107.8171.1-48.1175.7000108.8
357P35.8Very low41.4Very low105 Ų105117.8 Ų117.868%0.68261%0.614SS**  cis-130.2103.225.535.5-14.1000113.1R359P357-R359 HydrophobicContact CB-CB 4.22Å; P357-R359 PolarHBondContact O-N 3.27Å
358A33Very low43.2Very low75 Ų75114.5 Ų114.562%0.6260%0.6SS**  trans-75.657151.600000109.7G360A358-G360 PolarHBondContact O-N 3.48Å; A358-G360 VanDerWaalsContact O-N 3.15Å
359R39.2Very low45.1Very low230 Ų230116.9 Ų116.987%0.86861%0.605SS**  trans-712172.5-152.5171.4-169.4170.73.8111.9P357P357-R359 HydrophobicContact CB-CB 4.22Å; P357-R359 PolarHBondContact O-N 3.27Å
360G38.9Very low46.8Very low67 Ų67116.8 Ų116.869%0.69159%0.594SS**SBendtrans-136.9-5.7-162.400000120.7A358A358-G360 PolarHBondContact O-N 3.48Å; A358-G360 VanDerWaalsContact O-N 3.15Å
361R43.2Very low48.3Very low247 Ų247115.8 Ų115.893%0.93258%0.583SS**SBendtrans-141.993.1-177.7-73-173.7-171.71673.1113.4
362G55.2Low50.2Low35 Ų35113.4 Ų113.436%0.36157%0.573SS.*SBendtrans177136.4171.600000107.9
363P67.6Low52.2Low57 Ų57114.3 Ų114.337%0.3757%0.567SS.*  trans-56.6144.9174.9-16.925.6000111.2W365 Y366P363-W365 HydrophobicContact CB-CD2 3.58Å; P363-W365 HydrophobicContact CB-CE3 3.03Å; P363-W365 HydrophobicContact CB-CG 4.49Å; P363-W365 HydrophobicContact CB-CH2 3.56Å; P363-W365 HydrophobicContact CB-CZ2 4.04Å; P363-W365 HydrophobicContact CB-CZ3 3.03Å; P363-W365 HydrophobicContact CG-CD2 4.21Å; P363-W365 HydrophobicContact CG-CE3 3.79Å; P363-W365 HydrophobicContact CG-CH2 3.23Å; P363-W365 HydrophobicContact CG-CZ2 3.71Å; P363-W365 HydrophobicContact CG-CZ3 3.28Å; P363-W365 PolarHBondContact O-N 3.38Å; P363-W365 VanDerWaalsContact O-N 3.12Å; P363-Y366 WeakPolarHBondContact O-CB 3.47Å; P363-Y366 PolarHBondContact O-N 3.01Å
364L63.4Low53.9Low137 Ų137108.7 Ų108.772%0.71755%0.548SS*.Hα-helixtrans-52-37.3179.4-175.967.1000112Y366 K367 I368L364-Y366 VanDerWaalsContact C-N 3.32Å; L364-Y366 PolarHBondContact O-N 3.2Å; L364-K367 PolarHBondContact O-N 3.38Å; L364-I368 HydrophobicContact CD1-CD1 4.44Å; L364-I368 HydrophobicContact CD2-CD1 4.47Å; L364-I368 HydrophobicContact CG-CD1 3.91Å; L364-I368 VanDerWaalsContact O-CG1 3.31Å; L364-I368 WeakPolarHBondContact O-CG1 3.45Å; L364-I368 PolarHBondContact O-N 3.37Å; L364-I368 VanDerWaalsContact O-N 3.14Å
365W69.3Low56.2Low189 Ų189106.3 Ų106.372%0.71653%0.529SS*.Hα-helixtrans-62.9-34.9178.691.577.4000113P363 I368 W369P363-W365 HydrophobicContact CB-CD2 3.58Å; P363-W365 HydrophobicContact CB-CE3 3.03Å; P363-W365 HydrophobicContact CB-CG 4.49Å; P363-W365 HydrophobicContact CB-CH2 3.56Å; P363-W365 HydrophobicContact CB-CZ2 4.04Å; P363-W365 HydrophobicContact CB-CZ3 3.03Å; P363-W365 HydrophobicContact CG-CD2 4.21Å; P363-W365 HydrophobicContact CG-CE3 3.79Å; P363-W365 HydrophobicContact CG-CH2 3.23Å; P363-W365 HydrophobicContact CG-CZ2 3.71Å; P363-W365 HydrophobicContact CG-CZ3 3.28Å; P363-W365 PolarHBondContact O-N 3.38Å; P363-W365 VanDerWaalsContact O-N 3.12Å; W365-I368 PolarHBondContact O-N 2.9Å; W365-W369 VanDerWaalsContact O-CB 3.25Å; W365-W369 WeakPolarHBondContact O-CB 3.32Å; W365-W369 PolarHBondContact O-N 3Å
366Y68.6Low58.6Low124 Ų124106.1 Ų106.149%0.48653%0.525SS..Hα-helixtrans-71.5-37-177.1-177.2-104.8000111.4P363 L364 W369 L370P363-Y366 WeakPolarHBondContact O-CB 3.47Å; P363-Y366 PolarHBondContact O-N 3.01Å; L364-Y366 VanDerWaalsContact C-N 3.32Å; L364-Y366 PolarHBondContact O-N 3.2Å; Y366-W369 HydrophobicContact CE2-CE3 4.44Å; Y366-W369 PolarHBondContact O-N 3.35Å; Y366-L370 HydrophobicContact CD1-CD1 3.86Å; Y366-L370 HydrophobicContact CD2-CD1 4.36Å; Y366-L370 HydrophobicContact CE1-CD1 3.33Å; Y366-L370 HydrophobicContact CE2-CD1 3.89Å; Y366-L370 HydrophobicContact CG-CD1 4.35Å; Y366-L370 PolarHBondContact O-N 2.95Å
367K62.8Low60.8Low93 Ų93105.1 Ų105.140%0.40452%0.52SS..Hα-helixtrans-66.7-45.3173.5-69-175.4177.3-177.70111.7L364 W369 L370 D371L364-K367 PolarHBondContact O-N 3.38Å; K367-W369 VanDerWaalsContact C-N 3.3Å; K367-W369 PolarHBondContact O-N 3.02Å; K367-L370 PolarHBondContact O-N 3.2Å; K367-D371 PolarHBondContact O-N 3.43Å
368I65.1Low62.6Low58 Ų58100.2 Ų100.230%0.29749%0.489SS..Hα-helixtrans-60.5-43.6175.6-65.2170000110F105 L364 W365 D371 V372F105-I368 HydrophobicContact CE1-CD1 4.28Å; F105-I368 HydrophobicContact CE1-CG1 4.15Å; F105-I368 HydrophobicContact CE1-CG2 4.37Å; F105-I368 HydrophobicContact CZ-CD1 4.47Å; F105-I368 HydrophobicContact CZ-CG2 4.03Å; L364-I368 HydrophobicContact CD1-CD1 4.44Å; L364-I368 HydrophobicContact CD2-CD1 4.47Å; L364-I368 HydrophobicContact CG-CD1 3.91Å; L364-I368 VanDerWaalsContact O-CG1 3.31Å; L364-I368 WeakPolarHBondContact O-CG1 3.45Å; L364-I368 PolarHBondContact O-N 3.37Å; L364-I368 VanDerWaalsContact O-N 3.14Å; W365-I368 PolarHBondContact O-N 2.9Å; I368-D371 PolarHBondContact O-N 3.1Å; I368-V372 HydrophobicContact CG2-CG2 3.96Å; I368-V372 VanDerWaalsContact O-CB 3.28Å; I368-V372 WeakPolarHBondContact O-CB 3.39Å; I368-V372 WeakPolarHBondContact O-CG2 3.44Å; I368-V372 PolarHBondContact O-N 3.48Å
369W68.7Low64.9Low147 Ų14798.9 Ų98.956%0.55747%0.471SS*.Hα-helixtrans-63.1-44.4179.8-178.182000113.2W365 Y366 K367 D371 V372 R373W365-W369 VanDerWaalsContact O-CB 3.25Å; W365-W369 WeakPolarHBondContact O-CB 3.32Å; W365-W369 PolarHBondContact O-N 3Å; Y366-W369 HydrophobicContact CE2-CE3 4.44Å; Y366-W369 PolarHBondContact O-N 3.35Å; K367-W369 VanDerWaalsContact C-N 3.3Å; K367-W369 PolarHBondContact O-N 3.02Å; W369-D371 VanDerWaalsContact C-N 3.31Å; W369-D371 PolarHBondContact O-N 3.43Å; W369-V372 PolarHBondContact O-N 3.13Å; W369-R373 WeakPolarHBondContact O-CB 3.49Å; W369-R373 PolarHBondContact O-N 2.96Å
370L64.4Low67.1Low69 Ų6995.8 Ų95.836%0.36146%0.46SS..Hα-helixtrans-59.9-42.3178.4-113.3111.3000112.2Y366 K367 H374Y366-L370 HydrophobicContact CD1-CD1 3.86Å; Y366-L370 HydrophobicContact CD2-CD1 4.36Å; Y366-L370 HydrophobicContact CE1-CD1 3.33Å; Y366-L370 HydrophobicContact CE2-CD1 3.89Å; Y366-L370 HydrophobicContact CG-CD1 4.35Å; Y366-L370 PolarHBondContact O-N 2.95Å; K367-L370 PolarHBondContact O-N 3.2Å; L370-H374 PolarHBondContact O-CD2 3.36Å
371D58.2Low69.2Low57 Ų5797.4 Ų97.431%0.30545%0.446SS..Hα-helixtrans-80.7-30.4-177.3-72.8-13.9000112Y104 R108 K367 I368 W369Y104-D371 HydrophobicContact CE2-CB 4.28Å; Y104-D371 WeakPolarHBondContact OH-CB 3.49Å; R108-D371 IonicContact CZ-OD2 2.63Å; R108-D371 IonicContact NE-OD2 3.86Å; R108-D371 VanDerWaalsContact NH2-CG 3.26Å; R108-D371 IonicContact NH2-OD2 3.84Å; R108-D371 PolarHBondContact NH2-OD2 3.41Å; K367-D371 PolarHBondContact O-N 3.43Å; I368-D371 PolarHBondContact O-N 3.1Å; W369-D371 VanDerWaalsContact C-N 3.31Å; W369-D371 PolarHBondContact O-N 3.43Å
372V69.2Low71.2Confident56 Ų5685.9 Ų85.934%0.33940%0.402SS..Hα-helixtrans-75.8-27.2176.1171.40000112Y104 I368 W369 H374 I375 P376Y104-V372 HydrophobicContact CE1-CG2 4.15Å; I368-V372 HydrophobicContact CG2-CG2 3.96Å; I368-V372 VanDerWaalsContact O-CB 3.28Å; I368-V372 WeakPolarHBondContact O-CB 3.39Å; I368-V372 WeakPolarHBondContact O-CG2 3.44Å; I368-V372 PolarHBondContact O-N 3.48Å; W369-V372 PolarHBondContact O-N 3.13Å; V372-H374 PolarHBondContact O-N 3.49Å; V372-I375 HydrophobicContact CB-CD1 4.36Å; V372-I375 HydrophobicContact CG1-CD1 4.29Å; V372-I375 HydrophobicContact CG2-CD1 4.19Å; V372-I375 WeakPolarHBondContact O-CB 3.16Å; V372-I375 PolarHBondContact O-N 3Å; V372-P376 WeakPolarHBondContact O-CD 3.47Å
373R72.6Confident72.7Confident152 Ų15287.2 Ų87.257%0.57440%0.401SS*.THydrogen-bonded Turntrans-51.1-30.7177.5162.7179.9169.3172-2.5113.7W369W369-R373 WeakPolarHBondContact O-CB 3.49Å; W369-R373 PolarHBondContact O-N 2.96Å
374H66Low73.8Confident95 Ų9588.1 Ų88.144%0.4441%0.405SS..THydrogen-bonded Turntrans-85.1-17.5-177.9-63.6-71.7000113.7M330 L370 V372 I377 A378M330-H374 HydrophobicContact CE-CB 4.24Å; L370-H374 PolarHBondContact O-CD2 3.36Å; V372-H374 PolarHBondContact O-N 3.49Å; H374-I377 PolarHBondContact O-N 2.94Å; H374-A378 PolarHBondContact O-N 3.11Å
375I75Confident75Confident29 Ų2984.2 Ų84.215%0.14939%0.385CS..Hα-helixtrans-63.4-47.9-178.2-61.4175.9000111.8Y104 V372 I377 A378 I379 F625Y104-I375 HydrophobicContact CD2-CD1 3.78Å; Y104-I375 HydrophobicContact CE2-CD1 3.93Å; Y104-I375 HydrophobicContact CG-CD1 4.34Å; V372-I375 HydrophobicContact CB-CD1 4.36Å; V372-I375 HydrophobicContact CG1-CD1 4.29Å; V372-I375 HydrophobicContact CG2-CD1 4.19Å; V372-I375 WeakPolarHBondContact O-CB 3.16Å; V372-I375 PolarHBondContact O-N 3Å; I375-I377 PolarHBondContact O-N 3.28Å; I375-A378 WeakPolarHBondContact O-CB 3.43Å; I375-A378 PolarHBondContact O-N 2.99Å; I375-A378 VanDerWaalsContact O-N 3.15Å; I375-I379 HydrophobicContact CG2-CD1 3.66Å; I375-I379 HydrophobicContact CG2-CG1 4.13Å; I375-I379 WeakPolarHBondContact O-CG1 3.34Å; I375-I379 PolarHBondContact O-N 3.24Å; I375-F625 HydrophobicContact CG2-CZ 4.16Å
376P80.4Confident76Confident79 Ų7984 Ų8451%0.51338%0.384SS..Hα-helixtrans-58.4-34.1178.4-25.834.4000113.5V372 Y380V372-P376 WeakPolarHBondContact O-CD 3.47Å; P376-Y380 VanDerWaalsContact O-CB 3.24Å; P376-Y380 WeakPolarHBondContact O-CB 3.5Å; P376-Y380 PolarHBondContact O-N 3.49Å
377I80Confident77Confident106 Ų10678.9 Ų78.954%0.54437%0.366SS..Hα-helixtrans-69.3-42.7179.2-60.6168.7000110.3H374 I375 Y380 R381H374-I377 PolarHBondContact O-N 2.94Å; I375-I377 PolarHBondContact O-N 3.28Å; I377-Y380 PolarHBondContact O-N 3.04Å; I377-R381 PolarHBondContact O-N 3.05Å
378A73.9Confident78.4Confident3 Ų374.5 Ų74.53%0.02535%0.346CS..Hα-helixtrans-63.1-45.9174.800000111.9M330 H374 I375 Y380 R381 I382 F625M330-A378 HydrophobicContact CE-CB 3.55Å; M330-A378 HydrophobicContact SD-CB 3.48Å; M330-A378 WeakPolarHBondContact SD-CB 3.42Å; H374-A378 PolarHBondContact O-N 3.11Å; I375-A378 WeakPolarHBondContact O-CB 3.43Å; I375-A378 PolarHBondContact O-N 2.99Å; I375-A378 VanDerWaalsContact O-N 3.15Å; A378-Y380 VanDerWaalsContact C-N 3.32Å; A378-Y380 PolarHBondContact O-N 2.99Å; A378-R381 PolarHBondContact O-N 2.75Å; A378-I382 PolarHBondContact O-N 3.19Å; A378-F625 HydrophobicContact CB-CD1 3.96Å; A378-F625 HydrophobicContact CB-CE1 3.52Å; A378-F625 HydrophobicContact CB-CZ 4.33Å
379I82.1Confident79.7Confident47 Ų4773.8 Ų73.824%0.24134%0.343CS..Hα-helixtrans-58.2-49.3176.4-67.9175000109.3I375 R381 I382 L383 F625 I629I375-I379 HydrophobicContact CG2-CD1 3.66Å; I375-I379 HydrophobicContact CG2-CG1 4.13Å; I375-I379 WeakPolarHBondContact O-CG1 3.34Å; I375-I379 PolarHBondContact O-N 3.24Å; I379-R381 VanDerWaalsContact C-N 3.33Å; I379-R381 PolarHBondContact O-N 3.33Å; I379-I382 PolarHBondContact O-N 3.3Å; I379-L383 HydrophobicContact CG2-CD1 3.46Å; I379-L383 VanDerWaalsContact CG2-CD1 3.46Å; I379-L383 HydrophobicContact CG2-CG 3.95Å; I379-L383 WeakPolarHBondContact O-CB 3.49Å; I379-L383 VanDerWaalsContact O-CG 3.25Å; I379-L383 WeakPolarHBondContact O-CG 3.35Å; I379-L383 PolarHBondContact O-N 3.19Å; I379-F625 HydrophobicContact CD1-CZ 4.28Å; I379-F625 HydrophobicContact CG1-CE1 3.84Å; I379-F625 HydrophobicContact CG1-CZ 3.5Å; I379-I629 HydrophobicContact CG1-CD1 4.15Å
380Y83.7Confident80.9Confident164 Ų16468 Ų6864%0.64332%0.322SS*.Hα-helixtrans-58.6-45.2178.8-179.5-102.4000111.5P376 I377 A378 I382 L383 T384P376-Y380 VanDerWaalsContact O-CB 3.24Å; P376-Y380 WeakPolarHBondContact O-CB 3.5Å; P376-Y380 PolarHBondContact O-N 3.49Å; I377-Y380 PolarHBondContact O-N 3.04Å; A378-Y380 VanDerWaalsContact C-N 3.32Å; A378-Y380 PolarHBondContact O-N 2.99Å; Y380-I382 PolarHBondContact O-N 3Å; Y380-L383 PolarHBondContact O-N 3.35Å; Y380-T384 VanDerWaalsContact O-CB 3.3Å; Y380-T384 WeakPolarHBondContact O-CB 3.31Å; Y380-T384 PolarHBondContact O-N 2.74Å; Y380-T384 PolarHBondContact O-OG1 3.28Å
381R83.8Confident82.3Confident102 Ų10264.7 Ų64.739%0.38531%0.305SS..Hα-helixtrans-58.6-47.2177.5179.7166.663.5-176.5-6.4112.4M330 I377 A378 I379 T384 N385 E622M330-R381 PolarHBondContact SD-NH2 3.29Å; I377-R381 PolarHBondContact O-N 3.05Å; A378-R381 PolarHBondContact O-N 2.75Å; I379-R381 VanDerWaalsContact C-N 3.33Å; I379-R381 PolarHBondContact O-N 3.33Å; R381-T384 PolarHBondContact O-N 3.01Å; R381-N385 PolarHBondContact O-N 3.41Å; R381-E622 IonicContact CZ-OE1 3.59Å; R381-E622 IonicContact CZ-OE2 2.82Å; R381-E622 IonicContact NE-OE1 3.72Å; R381-E622 PolarHBondContact NE-OE1 3.26Å; R381-E622 IonicContact NE-OE2 3.96Å; R381-E622 PolarHBondContact NE-OE2 2.95Å; R381-E622 VanDerWaalsContact NE-OE2 3.07Å; R381-E622 IonicContact NH2-OE1 3.71Å; R381-E622 PolarHBondContact NH2-OE1 3.37Å; R381-E622 IonicContact NH2-OE2 2.65Å
382I85.3Confident84Confident4 Ų462.1 Ų62.12%0.02129%0.291CS..Hα-helixtrans-69.6-44.3-179.5-67.3170.4000111.4A378 I379 Y380 T384 N385 F388 E622 F625 A626 I629A378-I382 PolarHBondContact O-N 3.19Å; I379-I382 PolarHBondContact O-N 3.3Å; Y380-I382 PolarHBondContact O-N 3Å; I382-T384 PolarHBondContact O-N 3.38Å; I382-N385 WeakPolarHBondContact O-CB 3.45Å; I382-N385 PolarHBondContact O-N 3.44Å; I382-F388 HydrophobicContact CG2-CD1 3.69Å; I382-F388 HydrophobicContact CG2-CE1 3.47Å; I382-F388 VanDerWaalsContact CG2-CE1 3.47Å; I382-F388 HydrophobicContact CG2-CG 4.34Å; I382-F388 HydrophobicContact CG2-CZ 3.95Å; I382-E622 HydrophobicContact CD1-CB 4.5Å; I382-F625 HydrophobicContact CD1-CB 4.47Å; I382-F625 HydrophobicContact CD1-CD1 3.37Å; I382-F625 HydrophobicContact CD1-CE1 3.97Å; I382-F625 HydrophobicContact CD1-CG 4.31Å; I382-A626 HydrophobicContact CD1-CB 4.02Å; I382-A626 HydrophobicContact CG2-CB 4.31Å; I382-I629 HydrophobicContact CB-CD1 4.11Å; I382-I629 HydrophobicContact CD1-CD1 3.93Å; I382-I629 HydrophobicContact CG2-CD1 4.05Å
383L87.2Confident85.2Confident64 Ų6461.5 Ų61.534%0.33529%0.289SS..Hα-helixtrans-65.8-23.5178-68-178.3000112.8I379 Y380 N385 M389 I629 M633I379-L383 HydrophobicContact CG2-CD1 3.46Å; I379-L383 VanDerWaalsContact CG2-CD1 3.46Å; I379-L383 HydrophobicContact CG2-CG 3.95Å; I379-L383 WeakPolarHBondContact O-CB 3.49Å; I379-L383 VanDerWaalsContact O-CG 3.25Å; I379-L383 WeakPolarHBondContact O-CG 3.35Å; I379-L383 PolarHBondContact O-N 3.19Å; Y380-L383 PolarHBondContact O-N 3.35Å; L383-N385 VanDerWaalsContact C-N 3.33Å; L383-M389 HydrophobicContact CD2-CE 3.92Å; L383-M389 HydrophobicContact CD2-SD 3.55Å; L383-M389 VanDerWaalsContact CD2-SD 3.55Å; L383-M389 VanDerWaalsContact O-CG 3.28Å; L383-M389 WeakPolarHBondContact O-CG 3.28Å; L383-I629 HydrophobicContact CD2-CG2 4.03Å; L383-M633 HydrophobicContact CD2-CE 3.76Å
384T89.4Confident86.2Confident75 Ų7554.3 Ų54.346%0.4626%0.262SS..Hα-helixtrans-81.4-14.4175.5-50.30000112.1Y380 R381 I382 W386Y380-T384 VanDerWaalsContact O-CB 3.3Å; Y380-T384 WeakPolarHBondContact O-CB 3.31Å; Y380-T384 PolarHBondContact O-N 2.74Å; Y380-T384 PolarHBondContact O-OG1 3.28Å; R381-T384 PolarHBondContact O-N 3.01Å; I382-T384 PolarHBondContact O-N 3.38Å; T384-W386 PolarHBondContact O-N 3.5Å
385N89.7Confident87.6Confident55 Ų5550.5 Ų50.529%0.29425%0.245SC..  trans-73.398.6172.8-174.6-25.4000110.2R381 I382 L383 L387 F388 M389 T617R381-N385 PolarHBondContact O-N 3.41Å; I382-N385 WeakPolarHBondContact O-CB 3.45Å; I382-N385 PolarHBondContact O-N 3.44Å; L383-N385 VanDerWaalsContact C-N 3.33Å; N385-L387 VanDerWaalsContact C-N 3.32Å; N385-L387 PolarHBondContact O-N 3.26Å; N385-L387 PolarHBondContact OD1-N 3.5Å; N385-F388 HydrophobicContact CB-CB 4.03Å; N385-F388 WeakPolarHBondContact O-CB 3.39Å; N385-F388 PolarHBondContact O-N 3.34Å; N385-F388 PolarHBondContact OD1-N 3.22Å; N385-M389 WeakPolarHBondContact O-CG 3.27Å; N385-M389 PolarHBondContact O-N 3.22Å; N385-M389 VanDerWaalsContact O-N 3.08Å; N385-T617 PolarHBondContact ND2-O 3.45Å
386W89.3Confident88.6Confident184 Ų18449.1 Ų49.170%0.69724%0.238SC*.Hα-helixtrans-58.5-40.2-175.3-119.777.3000113.3T384 M389 I390T384-W386 PolarHBondContact O-N 3.5Å; W386-M389 PolarHBondContact O-N 2.99Å; W386-I390 HydrophobicContact CE3-CD1 3.42Å; W386-I390 VanDerWaalsContact CE3-CD1 3.42Å; W386-I390 HydrophobicContact CE3-CG1 3.74Å; W386-I390 HydrophobicContact CZ3-CD1 3.52Å; W386-I390 HydrophobicContact CZ3-CG1 3.8Å; W386-I390 WeakPolarHBondContact O-CG1 3.42Å; W386-I390 PolarHBondContact O-N 2.94Å
387L90.7Very high89.3Confident18 Ų1847.3 Ų47.39%0.09422%0.223CC..Hα-helixtrans-64.2-44.6179.4177.659.6000111.5N385 M389 I391 T617 V699 F703 L707N385-L387 VanDerWaalsContact C-N 3.32Å; N385-L387 PolarHBondContact O-N 3.26Å; N385-L387 PolarHBondContact OD1-N 3.5Å; L387-M389 VanDerWaalsContact C-N 3.34Å; L387-M389 PolarHBondContact O-N 3.03Å; L387-I391 HydrophobicContact CD1-CD1 3.59Å; L387-I391 HydrophobicContact CD1-CG1 4.14Å; L387-I391 HydrophobicContact CG-CD1 4.02Å; L387-I391 WeakPolarHBondContact O-CG1 3.27Å; L387-I391 PolarHBondContact O-N 2.9Å; L387-T617 HydrophobicContact CD2-CG2 3.35Å; L387-T617 HydrophobicContact CG-CG2 3.97Å; L387-V699 HydrophobicContact CD1-CG1 3.49Å; L387-V699 VanDerWaalsContact CD1-CG1 3.49Å; L387-F703 HydrophobicContact CB-CD1 4.41Å; L387-F703 HydrophobicContact CB-CE1 4.36Å; L387-F703 HydrophobicContact CB-CZ 4.44Å; L387-F703 HydrophobicContact CD1-CB 3.99Å; L387-F703 HydrophobicContact CD1-CD1 4.46Å; L387-F703 HydrophobicContact CD1-CD2 3.8Å; L387-F703 HydrophobicContact CD1-CE2 4.4Å; L387-F703 HydrophobicContact CD1-CG 3.83Å; L387-F703 HydrophobicContact CD2-CB 4.47Å; L387-F703 HydrophobicContact CD2-CD1 4.49Å; L387-F703 HydrophobicContact CD2-CG 4.48Å; L387-L707 HydrophobicContact CD2-CD2 4.09Å
388F91.3Very high90Very high0 Ų042.9 Ų42.90%020%0.201CC..Hα-helixtrans-59-45.3174.6172.7-95000111.6I382 N385 T392 I614 V618 A626 I629 Q630I382-F388 HydrophobicContact CG2-CD1 3.69Å; I382-F388 HydrophobicContact CG2-CE1 3.47Å; I382-F388 VanDerWaalsContact CG2-CE1 3.47Å; I382-F388 HydrophobicContact CG2-CG 4.34Å; I382-F388 HydrophobicContact CG2-CZ 3.95Å; N385-F388 HydrophobicContact CB-CB 4.03Å; N385-F388 WeakPolarHBondContact O-CB 3.39Å; N385-F388 PolarHBondContact O-N 3.34Å; N385-F388 PolarHBondContact OD1-N 3.22Å; F388-T392 WeakPolarHBondContact O-CB 3.37Å; F388-T392 PolarHBondContact O-N 3.48Å; F388-T392 PolarHBondContact O-OG1 3.31Å; F388-I614 HydrophobicContact CD2-CG2 3.84Å; F388-I614 HydrophobicContact CE2-CG2 3.76Å; F388-V618 HydrophobicContact CD2-CG2 3.96Å; F388-A626 HydrophobicContact CE2-CB 3.95Å; F388-A626 HydrophobicContact CZ-CB 4.26Å; F388-A626 WeakPolarHBondContact CZ-O 3.3Å; F388-I629 HydrophobicContact CE1-CG2 4.35Å; F388-Q630 HydrophobicContact CE2-CB 4.34Å; F388-Q630 HydrophobicContact CZ-CB 3.99Å
389M93.3Very high90.9Very high44 Ų4443.8 Ų43.822%0.21721%0.207CC..Hα-helixtrans-66.9-43.6-177.4-70.2-56.4-64.500113.4L383 N385 W386 L387 T392 S393 M633L383-M389 HydrophobicContact CD2-CE 3.92Å; L383-M389 HydrophobicContact CD2-SD 3.55Å; L383-M389 VanDerWaalsContact CD2-SD 3.55Å; L383-M389 VanDerWaalsContact O-CG 3.28Å; L383-M389 WeakPolarHBondContact O-CG 3.28Å; N385-M389 WeakPolarHBondContact O-CG 3.27Å; N385-M389 PolarHBondContact O-N 3.22Å; N385-M389 VanDerWaalsContact O-N 3.08Å; W386-M389 PolarHBondContact O-N 2.99Å; L387-M389 VanDerWaalsContact C-N 3.34Å; L387-M389 PolarHBondContact O-N 3.03Å; M389-T392 PolarHBondContact O-N 2.96Å; M389-S393 WeakPolarHBondContact O-CB 3.43Å; M389-S393 PolarHBondContact O-N 3.39Å; M389-S393 PolarHBondContact O-OG 3.17Å; M389-M633 HydrophobicContact CE-CE 3.93Å
390I94Very high91.6Very high24 Ų2443.3 Ų43.312%0.12321%0.205CC..Hα-helixtrans-64-48.8177.8-59.7166.9000110.5W386 T392 S393 A394 I695 V699 F703W386-I390 HydrophobicContact CE3-CD1 3.42Å; W386-I390 VanDerWaalsContact CE3-CD1 3.42Å; W386-I390 HydrophobicContact CE3-CG1 3.74Å; W386-I390 HydrophobicContact CZ3-CD1 3.52Å; W386-I390 HydrophobicContact CZ3-CG1 3.8Å; W386-I390 WeakPolarHBondContact O-CG1 3.42Å; W386-I390 PolarHBondContact O-N 2.94Å; I390-T392 VanDerWaalsContact C-N 3.3Å; I390-T392 PolarHBondContact O-N 2.93Å; I390-S393 WeakPolarHBondContact O-CB 3.37Å; I390-S393 PolarHBondContact O-N 2.83Å; I390-S393 VanDerWaalsContact O-N 3.13Å; I390-A394 PolarHBondContact O-N 3.27Å; I390-I695 HydrophobicContact CG2-CG2 3.22Å; I390-V699 HydrophobicContact CB-CG2 3.92Å; I390-V699 HydrophobicContact CD1-CG2 4.19Å; I390-V699 HydrophobicContact CG2-CG2 3.34Å; I390-F703 HydrophobicContact CD1-CE2 3.99Å
391I93.1Very high92.1Very high1 Ų135.9 Ų35.91%0.00518%0.176CC..Hα-helixtrans-63.7-40.2-177.9-64174000110.3L387 S393 A394 M395 I610 V613 I614 V699L387-I391 HydrophobicContact CD1-CD1 3.59Å; L387-I391 HydrophobicContact CD1-CG1 4.14Å; L387-I391 HydrophobicContact CG-CD1 4.02Å; L387-I391 WeakPolarHBondContact O-CG1 3.27Å; L387-I391 PolarHBondContact O-N 2.9Å; I391-S393 VanDerWaalsContact C-N 3.29Å; I391-S393 PolarHBondContact O-N 2.99Å; I391-A394 WeakPolarHBondContact O-CB 3.39Å; I391-A394 PolarHBondContact O-N 2.79Å; I391-M395 PolarHBondContact O-N 2.84Å; I391-I610 HydrophobicContact CG2-CG2 3.41Å; I391-I610 VanDerWaalsContact CG2-CG2 3.41Å; I391-V613 HydrophobicContact CD1-CG1 3.78Å; I391-I614 HydrophobicContact CB-CG1 4.43Å; I391-I614 HydrophobicContact CG2-CD1 3.84Å; I391-I614 HydrophobicContact CG2-CG1 3.78Å; I391-V699 HydrophobicContact CD1-CG1 4.13Å; I391-V699 HydrophobicContact CG1-CG1 4.03Å; I391-V699 HydrophobicContact CG1-CG2 4.19Å
392T93.5Very high92.6Very high2 Ų232.6 Ų32.61%0.01217%0.167CC..Hα-helixtrans-62.9-37.1175.5-61.70000111.8F388 M389 I390 M395 A396 Q630 M633F388-T392 WeakPolarHBondContact O-CB 3.37Å; F388-T392 PolarHBondContact O-N 3.48Å; F388-T392 PolarHBondContact O-OG1 3.31Å; M389-T392 PolarHBondContact O-N 2.96Å; I390-T392 VanDerWaalsContact C-N 3.3Å; I390-T392 PolarHBondContact O-N 2.93Å; T392-M395 PolarHBondContact O-N 2.82Å; T392-A396 WeakPolarHBondContact O-CB 3.35Å; T392-A396 PolarHBondContact O-N 3.46Å; T392-Q630 HydrophobicContact CG2-CB 4.39Å; T392-Q630 HydrophobicContact CG2-CG 3.83Å; T392-M633 HydrophobicContact CG2-CB 3.7Å; T392-M633 HydrophobicContact CG2-CG 4.33Å
393S94.2Very high93Very high44 Ų4433.9 Ų33.931%0.30818%0.176SC..Hα-helixtrans-66.8-41176-55.90000111.8M389 I390 I391 M395 A396 I397M389-S393 WeakPolarHBondContact O-CB 3.43Å; M389-S393 PolarHBondContact O-N 3.39Å; M389-S393 PolarHBondContact O-OG 3.17Å; I390-S393 WeakPolarHBondContact O-CB 3.37Å; I390-S393 PolarHBondContact O-N 2.83Å; I390-S393 VanDerWaalsContact O-N 3.13Å; I391-S393 VanDerWaalsContact C-N 3.29Å; I391-S393 PolarHBondContact O-N 2.99Å; S393-M395 VanDerWaalsContact C-N 3.34Å; S393-M395 PolarHBondContact O-N 3.29Å; S393-A396 PolarHBondContact O-N 3.14Å; S393-I397 WeakPolarHBondContact O-CG1 3.31Å; S393-I397 PolarHBondContact O-N 3.07Å; S393-I397 VanDerWaalsContact O-N 3.1Å
394A95.2Very high93.3Very high0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-59.5-45.217300000111.5I390 I391 A396 I397 D398 T692 I695 L696I390-A394 PolarHBondContact O-N 3.27Å; I391-A394 WeakPolarHBondContact O-CB 3.39Å; I391-A394 PolarHBondContact O-N 2.79Å; A394-A396 VanDerWaalsContact C-N 3.32Å; A394-A396 PolarHBondContact O-N 3.31Å; A394-I397 PolarHBondContact O-N 3.42Å; A394-D398 PolarHBondContact O-N 3.23Å; A394-T692 HydrophobicContact CB-CG2 4.18Å; A394-T692 PolarHBondContact O-OG1 3.49Å; A394-I695 HydrophobicContact CB-CB 4.18Å; A394-I695 HydrophobicContact CB-CG2 3.76Å; A394-L696 HydrophobicContact CB-CD2 3.86Å; A394-L696 HydrophobicContact CB-CG 4.25Å
395M94.1Very high93.4Very high16 Ų1627.7 Ų27.78%0.07914%0.141CC..Hα-helixtrans-62.6-36.3175-74.9-67.2-67.300113I391 T392 S393 S399 A607 I610 I634I391-M395 PolarHBondContact O-N 2.84Å; T392-M395 PolarHBondContact O-N 2.82Å; S393-M395 VanDerWaalsContact C-N 3.34Å; S393-M395 PolarHBondContact O-N 3.29Å; M395-S399 WeakPolarHBondContact O-CB 2.95Å; M395-S399 PolarHBondContact O-N 3Å; M395-A607 HydrophobicContact CE-CB 4.49Å; M395-I610 HydrophobicContact CG-CB 4.36Å; M395-I610 HydrophobicContact CG-CD1 4.44Å; M395-I610 HydrophobicContact CG-CG2 3.41Å; M395-I610 VanDerWaalsContact CG-CG2 3.41Å; M395-I610 HydrophobicContact SD-CB 3.68Å; M395-I610 HydrophobicContact SD-CD1 3.53Å; M395-I610 VanDerWaalsContact SD-CD1 3.53Å; M395-I610 HydrophobicContact SD-CG1 4.19Å; M395-I610 HydrophobicContact SD-CG2 3.41Å; M395-I610 WeakPolarHBondContact SD-CG2 2.98Å; M395-I634 HydrophobicContact CB-CD1 4.14Å; M395-I634 HydrophobicContact CB-CG1 4.36Å
396A95.8Very high93.5Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-66.6-40.3178.100000111.9T392 S393 A394 S399 L400 I634 I637 G638T392-A396 WeakPolarHBondContact O-CB 3.35Å; T392-A396 PolarHBondContact O-N 3.46Å; S393-A396 PolarHBondContact O-N 3.14Å; A394-A396 VanDerWaalsContact C-N 3.32Å; A394-A396 PolarHBondContact O-N 3.31Å; A396-S399 PolarHBondContact O-N 3.48Å; A396-L400 PolarHBondContact O-N 3.33Å; A396-I634 HydrophobicContact CB-CG1 4.44Å; A396-I637 HydrophobicContact CB-CB 3.97Å; A396-I637 HydrophobicContact CB-CG2 4Å; A396-G638 WeakPolarHBondContact O-CA 3.31Å
397I95.7Very high93.7Very high40 Ų4018.7 Ų18.721%0.20511%0.111CC..Hα-helixtrans-68.8-44177-63.9169.4000111S393 A394 S399 L400 V401 I691 I695S393-I397 WeakPolarHBondContact O-CG1 3.31Å; S393-I397 PolarHBondContact O-N 3.07Å; S393-I397 VanDerWaalsContact O-N 3.1Å; A394-I397 PolarHBondContact O-N 3.42Å; I397-S399 VanDerWaalsContact C-N 3.32Å; I397-S399 PolarHBondContact O-N 3.09Å; I397-L400 VanDerWaalsContact O-CB 3.29Å; I397-L400 WeakPolarHBondContact O-CB 3.43Å; I397-L400 PolarHBondContact O-N 3.05Å; I397-V401 PolarHBondContact O-N 3.06Å; I397-I691 HydrophobicContact CD1-CG2 3.61Å; I397-I691 HydrophobicContact CG2-CB 4.49Å; I397-I691 HydrophobicContact CG2-CG2 4.43Å; I397-I695 HydrophobicContact CD1-CD1 3.73Å
398D94.3Very high93.9Very high13 Ų1317.8 Ų17.87%0.0711%0.106CC..Hα-helixtrans-60.3-44.4173.9-172.466.3000111.3A394 L400 V401 V402 T692A394-D398 PolarHBondContact O-N 3.23Å; D398-L400 VanDerWaalsContact C-N 3.3Å; D398-L400 PolarHBondContact O-N 3.37Å; D398-V401 PolarHBondContact O-N 3.34Å; D398-V402 WeakPolarHBondContact O-CG2 3.21Å; D398-V402 PolarHBondContact O-N 2.95Å; D398-T692 HydrophobicContact CB-CG2 4.15Å
399S93.9Very high94.1Very high22 Ų2218 Ų1815%0.15411%0.107CC..Hα-helixtrans-63.9-31.8176.5-175.20000113.1M395 A396 I397 T403 I634 T639M395-S399 WeakPolarHBondContact O-CB 2.95Å; M395-S399 PolarHBondContact O-N 3Å; A396-S399 PolarHBondContact O-N 3.48Å; I397-S399 VanDerWaalsContact C-N 3.32Å; I397-S399 PolarHBondContact O-N 3.09Å; S399-T403 WeakPolarHBondContact O-CB 3.12Å; S399-T403 PolarHBondContact O-N 3.27Å; S399-T403 PolarHBondContact O-OG1 2.84Å; S399-I634 WeakPolarHBondContact OG-CG2 3.38Å; S399-T639 WeakPolarHBondContact OG-CG2 3.2Å
400L95.5Very high94.1Very high37 Ų3715.9 Ų15.919%0.19410%0.097CC..Hα-helixtrans-58.1-49.4172.6-173.5145.6000110.7A396 I397 D398 G404 P641 A642 L645A396-L400 PolarHBondContact O-N 3.33Å; I397-L400 VanDerWaalsContact O-CB 3.29Å; I397-L400 WeakPolarHBondContact O-CB 3.43Å; I397-L400 PolarHBondContact O-N 3.05Å; D398-L400 VanDerWaalsContact C-N 3.3Å; D398-L400 PolarHBondContact O-N 3.37Å; L400-G404 PolarHBondContact O-N 2.96Å; L400-P641 HydrophobicContact CD1-CG 3.95Å; L400-A642 HydrophobicContact CG-CB 4.17Å; L400-A642 WeakPolarHBondContact O-CB 3.49Å; L400-L645 HydrophobicContact CD2-CD2 4.14Å
401V95.3Very high94.1Very high8 Ų814.8 Ų14.85%0.0489%0.091CC..Hα-helixtrans-65.9-50.3-179.91760000110.7I397 D398 T403 G404 A405 T685I397-V401 PolarHBondContact O-N 3.06Å; D398-V401 PolarHBondContact O-N 3.34Å; V401-T403 PolarHBondContact O-N 3.18Å; V401-G404 PolarHBondContact O-N 3.31Å; V401-A405 VanDerWaalsContact O-CB 3.29Å; V401-A405 WeakPolarHBondContact O-CB 3.28Å; V401-A405 PolarHBondContact O-N 3.4Å; V401-T685 HydrophobicContact CG1-CG2 3.87Å
402V93.8Very high94.2Very high33 Ų3314.7 Ų14.720%0.29%0.091CC..Hα-helixtrans-62.7-44.9-177.3173.90000111.4D398 S406 F604D398-V402 WeakPolarHBondContact O-CG2 3.21Å; D398-V402 PolarHBondContact O-N 2.95Å; V402-S406 VanDerWaalsContact O-CB 3.24Å; V402-S406 WeakPolarHBondContact O-CB 3.12Å; V402-S406 PolarHBondContact O-N 3.33Å; V402-S406 PolarHBondContact O-OG 3.1Å; V402-F604 HydrophobicContact CG1-CE2 4.39Å; V402-F604 HydrophobicContact CG1-CZ 4.18Å
403T93.5Very high94.1Very high32 Ų3214.7 Ų14.720%0.1969%0.09CC..Hα-helixtrans-68.4-42.6-179-530000111.4S399 V401 S406 S407 T639 A642S399-T403 WeakPolarHBondContact O-CB 3.12Å; S399-T403 PolarHBondContact O-N 3.27Å; S399-T403 PolarHBondContact O-OG1 2.84Å; V401-T403 PolarHBondContact O-N 3.18Å; T403-S406 PolarHBondContact O-OG 3.48Å; T403-S407 VanDerWaalsContact O-CB 3.28Å; T403-S407 WeakPolarHBondContact O-CB 3.43Å; T403-S407 PolarHBondContact O-N 2.73Å; T403-S407 PolarHBondContact O-OG 2.87Å; T403-T639 HydrophobicContact CG2-CG2 4.35Å; T403-A642 HydrophobicContact CG2-CB 4.48Å
404G93.5Very high94Very high0 Ų013 Ų130%08%0.078CC..Hα-helixtrans-65-47.9179.300000112.2L400 V401 F646L400-G404 PolarHBondContact O-N 2.96Å; V401-G404 PolarHBondContact O-N 3.31Å; G404-F646 VanDerWaalsContact C-CD1 3.48Å; G404-F646 VanDerWaalsContact CA-CD2 3.48Å; G404-F646 WeakPolarHBondContact O-CD1 3.32Å
405A92.8Very high93.6Very high8 Ų815.2 Ų15.27%0.0669%0.086CC..Hα-helixtrans-64.3-45.4178.500000112V401 M409 F646V401-A405 VanDerWaalsContact O-CB 3.29Å; V401-A405 WeakPolarHBondContact O-CB 3.28Å; V401-A405 PolarHBondContact O-N 3.4Å; A405-M409 HydrophobicContact CB-CE 4.41Å; A405-M409 WeakPolarHBondContact O-CB 3.24Å; A405-M409 PolarHBondContact O-N 3.46Å; A405-M409 VanDerWaalsContact O-N 3.08Å; A405-F646 HydrophobicContact CB-CE1 4.04Å; A405-F646 HydrophobicContact CB-CZ 4.37Å
406S91.9Very high93.5Very high37 Ų3714.4 Ų14.426%0.2598%0.082SC..Hα-helixtrans-67.7-37.1-179.1580000113.3V402 T403 F408 M409V402-S406 VanDerWaalsContact O-CB 3.24Å; V402-S406 WeakPolarHBondContact O-CB 3.12Å; V402-S406 PolarHBondContact O-N 3.33Å; V402-S406 PolarHBondContact O-OG 3.1Å; T403-S406 PolarHBondContact O-OG 3.48Å; S406-F408 PolarHBondContact O-N 3.06Å; S406-M409 PolarHBondContact O-N 3.41Å
407S93.4Very high93.2Very high13 Ų1314.7 Ų14.79%0.0918%0.083CC..Hα-helixtrans-61.3-32.2-179-63.50000112.9P67 I70 T403P67-S407 WeakPolarHBondContact CB-O 3.47Å; I70-S407 WeakPolarHBondContact CD1-O 3.42Å; T403-S407 VanDerWaalsContact O-CB 3.28Å; T403-S407 WeakPolarHBondContact O-CB 3.43Å; T403-S407 PolarHBondContact O-N 2.73Å; T403-S407 PolarHBondContact O-OG 2.87Å
408F94.6Very high92.8Very high0 Ų014 Ų140%08%0.082CC..THydrogen-bonded Turntrans-114.612.1-179-60.4-81.1000113.8I70 T81 S406 S410 K411 Y412 P643 F646 F650I70-F408 HydrophobicContact CD1-CD1 3.74Å; I70-F408 HydrophobicContact CD1-CE1 3.76Å; I70-F408 HydrophobicContact CG2-CD1 4.21Å; I70-F408 HydrophobicContact CG2-CE1 4.13Å; T81-F408 HydrophobicContact CG2-CD1 3.93Å; T81-F408 HydrophobicContact CG2-CE1 3.54Å; T81-F408 HydrophobicContact CG2-CZ 4.25Å; S406-F408 PolarHBondContact O-N 3.06Å; F408-S410 VanDerWaalsContact C-N 3.31Å; F408-S410 PolarHBondContact O-N 3.24Å; F408-K411 PolarHBondContact O-N 2.94Å; F408-Y412 WeakPolarHBondContact O-CB 3.41Å; F408-Y412 PolarHBondContact O-N 2.93Å; F408-P643 HydrophobicContact CE2-CB 4.23Å; F408-P643 WeakPolarHBondContact CE2-O 3.45Å; F408-P643 WeakPolarHBondContact CZ-O 2.89Å; F408-F646 HydrophobicContact CD2-CB 3.57Å; F408-F646 HydrophobicContact CE2-CB 3.72Å; F408-F650 HydrophobicContact CB-CE2 3.66Å; F408-F650 HydrophobicContact CB-CZ 4.31Å; F408-F650 HydrophobicContact CD1-CE2 4.33Å; F408-F650 HydrophobicContact CG-CE2 4.06Å
409M93.8Very high92.5Very high4 Ų414.3 Ų14.32%0.028%0.084CC..Hα-helixtrans-61.6-38.6-175.6-172.759.764.800112.6A405 S406 Y412 L413 I428 M432 F596A405-M409 HydrophobicContact CB-CE 4.41Å; A405-M409 WeakPolarHBondContact O-CB 3.24Å; A405-M409 PolarHBondContact O-N 3.46Å; A405-M409 VanDerWaalsContact O-N 3.08Å; S406-M409 PolarHBondContact O-N 3.41Å; M409-Y412 WeakPolarHBondContact O-CB 3.29Å; M409-Y412 PolarHBondContact O-N 3.3Å; M409-Y412 HydrophobicContact SD-CD1 4.4Å; M409-L413 WeakPolarHBondContact O-CG 3.36Å; M409-L413 PolarHBondContact O-N 2.94Å; M409-I428 HydrophobicContact CB-CD1 4.01Å; M409-I428 HydrophobicContact CG-CD1 3.81Å; M409-I428 HydrophobicContact CG-CG1 4.12Å; M409-M432 HydrophobicContact CG-SD 4.24Å; M409-F596 HydrophobicContact CE-CE2 3.6Å; M409-F596 HydrophobicContact CE-CZ 3.64Å; M409-F596 HydrophobicContact CG-CE1 4.48Å; M409-F596 HydrophobicContact CG-CZ 3.91Å; M409-F596 HydrophobicContact SD-CE1 4.41Å; M409-F596 HydrophobicContact SD-CE2 4.05Å; M409-F596 HydrophobicContact SD-CZ 3.69Å
410S94.4Very high92.2Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-57.1-54.1174.850.50000111P67 F408 Y412 L413 E414 N425 I428P67-S410 PolarHBondContact O-OG 3.34Å; F408-S410 VanDerWaalsContact C-N 3.31Å; F408-S410 PolarHBondContact O-N 3.24Å; S410-Y412 VanDerWaalsContact C-N 3.33Å; S410-Y412 PolarHBondContact O-N 3.27Å; S410-L413 PolarHBondContact O-N 2.69Å; S410-E414 WeakPolarHBondContact O-CG 3.28Å; S410-E414 PolarHBondContact O-N 3.16Å; S410-N425 WeakPolarHBondContact CB-OD1 3.4Å; S410-I428 VanDerWaalsContact CA-CD1 3.49Å
411K93.6Very high92Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-61.7-39.6176.7-174.7177.7177.9174.50111.8I70 E74 T81 F408 E414 R415 F650 Y672I70-K411 HydrophobicContact CG2-CD 4.36Å; E74-K411 IonicContact OE1-NZ 2.79Å; E74-K411 PolarHBondContact OE1-NZ 2.94Å; E74-K411 VanDerWaalsContact OE2-CE 3.28Å; E74-K411 WeakPolarHBondContact OE2-CE 3.33Å; E74-K411 IonicContact OE2-NZ 2.61Å; E74-K411 PolarHBondContact OE2-NZ 3.4Å; T81-K411 HydrophobicContact CG2-CD 4.27Å; T81-K411 VanDerWaalsContact CG2-NZ 3.26Å; T81-K411 PolarHBondContact OG1-NZ 2.68Å; F408-K411 PolarHBondContact O-N 2.94Å; K411-E414 PolarHBondContact O-N 2.82Å; K411-R415 HydrophobicContact CG-CG 4.46Å; K411-R415 WeakPolarHBondContact O-CG 3.35Å; K411-R415 PolarHBondContact O-N 3.01Å; K411-F650 HydrophobicContact CB-CZ 4.37Å; K411-F650 HydrophobicContact CD-CD1 4.3Å; K411-F650 HydrophobicContact CD-CE1 4.06Å; K411-F650 HydrophobicContact CD-CE2 4.47Å; K411-F650 HydrophobicContact CD-CZ 4.16Å; K411-F650 HydrophobicContact CG-CE1 3.96Å; K411-F650 HydrophobicContact CG-CZ 4.04Å; K411-Y672 PolarHBondContact NZ-OH 3.12Å
412Y94.5Very high91.9Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-59.7-47.9175.9-175.8-89.9000110.9F408 M409 S410 R415 Q416 Y475 F592 L677 F681F408-Y412 WeakPolarHBondContact O-CB 3.41Å; F408-Y412 PolarHBondContact O-N 2.93Å; M409-Y412 WeakPolarHBondContact O-CB 3.29Å; M409-Y412 PolarHBondContact O-N 3.3Å; M409-Y412 HydrophobicContact SD-CD1 4.4Å; S410-Y412 VanDerWaalsContact C-N 3.33Å; S410-Y412 PolarHBondContact O-N 3.27Å; Y412-R415 PolarHBondContact O-N 3.19Å; Y412-Q416 HydrophobicContact CD1-CG 4.04Å; Y412-Q416 HydrophobicContact CD2-CG 4.04Å; Y412-Q416 HydrophobicContact CE1-CB 4.19Å; Y412-Q416 HydrophobicContact CE1-CG 3.7Å; Y412-Q416 HydrophobicContact CE2-CG 3.71Å; Y412-Q416 HydrophobicContact CG-CG 4.18Å; Y412-Q416 WeakPolarHBondContact O-CB 3.35Å; Y412-Q416 WeakPolarHBondContact O-CG 3.2Å; Y412-Q416 PolarHBondContact O-N 3.34Å; Y412-Y475 AromaticContact CE1-CD1 3.98Å; Y412-Y475 HydrophobicContact CE1-CD1 3.98Å; Y412-Y475 HydrophobicContact CE1-CE1 4.3Å; Y412-Y475 HydrophobicContact CE2-CD1 4.22Å; Y412-Y475 AromaticContact CZ-CD1 3.6Å; Y412-Y475 WeakPolarHBondContact OH-CD1 3.15Å; Y412-Y475 PolarHBondContact OH-O 2.91Å; Y412-F592 HydrophobicContact CE1-CE2 4.16Å; Y412-F592 HydrophobicContact CE1-CZ 4.32Å; Y412-L677 HydrophobicContact CE2-CG 4.47Å; Y412-F681 AromaticContact CD2-CD1 3.78Å; Y412-F681 HydrophobicContact CD2-CD1 3.78Å; Y412-F681 HydrophobicContact CD2-CD2 4.21Å; Y412-F681 AromaticContact CD2-CE1 3.68Å; Y412-F681 HydrophobicContact CD2-CE1 3.68Å; Y412-F681 HydrophobicContact CD2-CE2 4.14Å; Y412-F681 HydrophobicContact CD2-CG 4.05Å; Y412-F681 AromaticContact CD2-CZ 3.86Å; Y412-F681 HydrophobicContact CD2-CZ 3.86Å; Y412-F681 HydrophobicContact CE2-CB 4.19Å; Y412-F681 AromaticContact CE2-CD1 3.86Å; Y412-F681 HydrophobicContact CE2-CD1 3.86Å; Y412-F681 HydrophobicContact CE2-CD2 4.12Å; Y412-F681 HydrophobicContact CE2-CE1 4.24Å; Y412-F681 AromaticContact CE2-CG 3.79Å; Y412-F681 HydrophobicContact CE2-CG 3.79Å; Y412-F681 HydrophobicContact CG-CE1 4.29Å
413L93.1Very high91.8Very high1 Ų120.5 Ų20.51%0.00510%0.102CC..Hα-helixtrans-63.4-45.9176.8-71.7-180000112.3M409 S410 R415 F417 V419 A424 I428 F592M409-L413 WeakPolarHBondContact O-CG 3.36Å; M409-L413 PolarHBondContact O-N 2.94Å; S410-L413 PolarHBondContact O-N 2.69Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 2.69Å; L413-F417 HydrophobicContact CD2-CD2 3.83Å; L413-F417 HydrophobicContact CD2-CE2 3.92Å; L413-F417 PolarHBondContact O-N 3.45Å; L413-F417 VanDerWaalsContact O-N 3.15Å; L413-V419 HydrophobicContact CB-CG2 4.34Å; L413-V419 WeakPolarHBondContact O-CG2 3.41Å; L413-A424 HydrophobicContact CB-CB 3.94Å; L413-I428 HydrophobicContact CD1-CD1 3.96Å; L413-I428 HydrophobicContact CD1-CG1 3.7Å; L413-F592 HydrophobicContact CD2-CD1 4.1Å; L413-F592 HydrophobicContact CD2-CE1 3.56Å; L413-F592 HydrophobicContact CD2-CZ 4.16Å
414E90.4Very high91.9Very high9 Ų919 Ų194%0.0429%0.093CC..Hα-helixtrans-53.5-44.8176.1-75.3176.7-143.900111.7S71 R75 S410 K411 S418 V419 P421 A424S71-E414 VanDerWaalsContact CB-OE2 3.26Å; S71-E414 WeakPolarHBondContact CB-OE2 3.41Å; S71-E414 PolarHBondContact OG-OE1 2.69Å; S71-E414 PolarHBondContact OG-OE2 3.48Å; S71-E414 VanDerWaalsContact OG-OE2 3.13Å; R75-E414 IonicContact NH2-OE2 3.35Å; S410-E414 WeakPolarHBondContact O-CG 3.28Å; S410-E414 PolarHBondContact O-N 3.16Å; K411-E414 PolarHBondContact O-N 2.82Å; E414-S418 WeakPolarHBondContact O-CA 3.18Å; E414-S418 PolarHBondContact O-N 3.41Å; E414-V419 PolarHBondContact O-N 3.42Å; E414-P421 HydrophobicContact CG-CB 4.44Å; E414-P421 HydrophobicContact CG-CG 4.35Å; E414-A424 HydrophobicContact CG-CB 3.94Å
415R88.6Confident92Very high46 Ų4619 Ų1917%0.1749%0.093CC..Hα-helixtrans-79.4-55.3-177.6-60.6-51.5-180170.43.3112.1K411 Y412 L413 F417 S418 H481 Y672K411-R415 HydrophobicContact CG-CG 4.46Å; K411-R415 WeakPolarHBondContact O-CG 3.35Å; K411-R415 PolarHBondContact O-N 3.01Å; Y412-R415 PolarHBondContact O-N 3.19Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 2.69Å; R415-F417 VanDerWaalsContact C-N 3.28Å; R415-F417 PolarHBondContact O-N 3.39Å; R415-S418 PolarHBondContact O-N 3.49Å; R415-H481 PolarHBondContact O-CE1 2.97Å; R415-H481 PolarHBondContact O-NE2 2.67Å; R415-Y672 HydrophobicContact CG-CD2 4.28Å
416Q91.4Very high92.1Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-66.7-28.2-172-66.6-71.40.300114.4Y412 C479 N674Y412-Q416 HydrophobicContact CD1-CG 4.04Å; Y412-Q416 HydrophobicContact CD2-CG 4.04Å; Y412-Q416 HydrophobicContact CE1-CB 4.19Å; Y412-Q416 HydrophobicContact CE1-CG 3.7Å; Y412-Q416 HydrophobicContact CE2-CG 3.71Å; Y412-Q416 HydrophobicContact CG-CG 4.18Å; Y412-Q416 WeakPolarHBondContact O-CB 3.35Å; Y412-Q416 WeakPolarHBondContact O-CG 3.2Å; Y412-Q416 PolarHBondContact O-N 3.34Å; Q416-C479 PolarHBondContact O-N 3.44Å; Q416-N674 PolarHBondContact NE2-O 2.88Å; Q416-N674 VanDerWaalsContact OE1-CB 3.23Å; Q416-N674 PolarHBondContact OE1-O 3.22Å
417F89.9Confident92.2Very high6 Ų621.9 Ų21.93%0.02610%0.104CC..THydrogen-bonded Turntrans-113.92.5-178.4-59.8-86.3000113.5L413 R415 V419 I477 C479 L589 F592L413-F417 HydrophobicContact CD2-CD2 3.83Å; L413-F417 HydrophobicContact CD2-CE2 3.92Å; L413-F417 PolarHBondContact O-N 3.45Å; L413-F417 VanDerWaalsContact O-N 3.15Å; R415-F417 VanDerWaalsContact C-N 3.28Å; R415-F417 PolarHBondContact O-N 3.39Å; F417-V419 HydrophobicContact CB-CG1 4.01Å; F417-V419 PolarHBondContact O-N 2.99Å; F417-V419 VanDerWaalsContact O-N 3.13Å; F417-I477 VanDerWaalsContact CZ-O 3.26Å; F417-I477 WeakPolarHBondContact CZ-O 3.06Å; F417-C479 WeakPolarHBondContact CD1-SG 3.45Å; F417-L589 HydrophobicContact CB-CD1 4.1Å; F417-L589 HydrophobicContact CD1-CB 3.75Å; F417-L589 HydrophobicContact CD1-CD1 3.8Å; F417-L589 HydrophobicContact CD1-CG 4.37Å; F417-L589 HydrophobicContact CD2-CD1 4.05Å; F417-L589 HydrophobicContact CE1-CB 4.26Å; F417-L589 HydrophobicContact CE1-CD1 4.3Å; F417-L589 HydrophobicContact CE2-CD1 4.48Å; F417-L589 HydrophobicContact CG-CB 4.4Å; F417-L589 HydrophobicContact CG-CD1 3.7Å; F417-F592 HydrophobicContact CE1-CB 3.91Å; F417-F592 HydrophobicContact CE1-CG 4.3Å; F417-F592 HydrophobicContact CE2-CB 4.3Å; F417-F592 HydrophobicContact CE2-CD1 4Å; F417-F592 AromaticContact CE2-CD2 3.94Å; F417-F592 HydrophobicContact CE2-CD2 3.94Å; F417-F592 HydrophobicContact CE2-CE1 4.37Å; F417-F592 HydrophobicContact CE2-CE2 4.29Å; F417-F592 AromaticContact CE2-CG 3.79Å; F417-F592 HydrophobicContact CE2-CG 3.79Å; F417-F592 HydrophobicContact CE2-CZ 4.49Å; F417-F592 HydrophobicContact CZ-CB 3.45Å; F417-F592 VanDerWaalsContact CZ-CB 3.45Å; F417-F592 HydrophobicContact CZ-CD1 4.01Å; F417-F592 AromaticContact CZ-CD2 3.58Å; F417-F592 HydrophobicContact CZ-CD2 3.58Å; F417-F592 HydrophobicContact CZ-CE2 4.35Å; F417-F592 AromaticContact CZ-CG 3.38Å; F417-F592 HydrophobicContact CZ-CG 3.38Å
418S86.8Confident92.3Very high26 Ų2621.2 Ų21.218%0.18210%0.099CC..  trans49.636-176-151.70000113.2E414 R415 P584E414-S418 WeakPolarHBondContact O-CA 3.18Å; E414-S418 PolarHBondContact O-N 3.41Å; R415-S418 PolarHBondContact O-N 3.49Å; S418-P584 VanDerWaalsContact CB-CD 3.45Å; S418-P584 VanDerWaalsContact CB-CG 3.43Å
419V87Confident92.2Very high18 Ų1821.3 Ų21.311%0.10910%0.1CC..  trans-87.9149179-66.60000110.6L413 E414 F417 K423 A424 L589L413-V419 HydrophobicContact CB-CG2 4.34Å; L413-V419 WeakPolarHBondContact O-CG2 3.41Å; E414-V419 PolarHBondContact O-N 3.42Å; F417-V419 HydrophobicContact CB-CG1 4.01Å; F417-V419 PolarHBondContact O-N 2.99Å; F417-V419 VanDerWaalsContact O-N 3.13Å; V419-K423 HydrophobicContact CB-CD 4.48Å; V419-K423 HydrophobicContact CG1-CD 4.4Å; V419-A424 HydrophobicContact CG2-CB 3.97Å; V419-L589 HydrophobicContact CG1-CD2 3.92Å
420R88.4Confident92.2Very high111 Ų11124.6 Ų24.642%0.41912%0.123SC..  trans-57.6144.1173.9-64170.5-164.4165.86.4111E268 T269 S422 K423 A424 E583E268-R420 HydrophobicContact CB-CB 3.88Å; E268-R420 HydrophobicContact CB-CG 3.85Å; T269-R420 HydrophobicContact CG2-CG 3.36Å; R420-S422 VanDerWaalsContact C-N 3.28Å; R420-S422 PolarHBondContact O-N 3.33Å; R420-K423 PolarHBondContact O-N 2.91Å; R420-A424 PolarHBondContact O-N 2.56Å; R420-E583 IonicContact CZ-OE1 3.45Å; R420-E583 IonicContact NE-OE1 3.59Å; R420-E583 IonicContact NH2-OE1 2.71Å; R420-E583 PolarHBondContact NH2-OE1 2.97Å
421P90.9Very high92.1Very high4 Ų426.3 Ų26.33%0.02613%0.133CC..Hα-helixtrans-52.4-40.2178.1-28.434.5000114L247 E268 E414 K423 A424 N425L247-P421 HydrophobicContact CD1-CB 4.2Å; E268-P421 WeakPolarHBondContact O-CD 3.4Å; E414-P421 HydrophobicContact CG-CB 4.44Å; E414-P421 HydrophobicContact CG-CG 4.35Å; P421-K423 PolarHBondContact O-N 3.47Å; P421-A424 PolarHBondContact O-N 2.91Å; P421-N425 PolarHBondContact O-N 2.93Å; P421-N425 PolarHBondContact O-ND2 3.25Å
422S93.1Very high91.9Very high10 Ų1027.2 Ų27.27%0.0714%0.137CC..Hα-helixtrans-61.9-42.9177.461.40000112.4S244 E268 R420 N425 L426S244-S422 WeakPolarHBondContact CB-O 3.17Å; S244-S422 WeakPolarHBondContact O-CB 3.46Å; S244-S422 PolarHBondContact OG-O 2.97Å; E268-S422 PolarHBondContact OE1-OG 2.92Å; E268-S422 WeakPolarHBondContact OE2-CB 3.33Å; E268-S422 PolarHBondContact OE2-N 3.12Å; E268-S422 PolarHBondContact OE2-OG 3.33Å; R420-S422 VanDerWaalsContact C-N 3.28Å; R420-S422 PolarHBondContact O-N 3.33Å; S422-N425 PolarHBondContact O-N 3.49Å; S422-L426 WeakPolarHBondContact O-CB 3.15Å; S422-L426 PolarHBondContact O-N 3.16Å
423K92.6Very high91.7Very high105 Ų10527.5 Ų27.546%0.45714%0.139SC..Hα-helixtrans-68.7-40.5-180-171177.2-179.9-177.70111.7V419 R420 P421 N425 L426 L427V419-K423 HydrophobicContact CB-CD 4.48Å; V419-K423 HydrophobicContact CG1-CD 4.4Å; R420-K423 PolarHBondContact O-N 2.91Å; P421-K423 PolarHBondContact O-N 3.47Å; K423-N425 PolarHBondContact O-N 2.85Å; K423-L426 PolarHBondContact O-N 3.12Å; K423-L427 HydrophobicContact CG-CD1 4.5Å; K423-L427 VanDerWaalsContact O-CG 3.32Å; K423-L427 WeakPolarHBondContact O-CG 3.12Å; K423-L427 PolarHBondContact O-N 3.39Å
424A94.2Very high91.6Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-57.6-49.7175.200000111.4L413 E414 V419 R420 P421 L426 L427 I428L413-A424 HydrophobicContact CB-CB 3.94Å; E414-A424 HydrophobicContact CG-CB 3.94Å; V419-A424 HydrophobicContact CG2-CB 3.97Å; R420-A424 PolarHBondContact O-N 2.56Å; P421-A424 PolarHBondContact O-N 2.91Å; A424-L426 PolarHBondContact O-N 3.21Å; A424-L427 PolarHBondContact O-N 2.98Å; A424-I428 WeakPolarHBondContact O-CG1 3.4Å; A424-I428 PolarHBondContact O-N 3.45Å; A424-I428 VanDerWaalsContact O-N 3.14Å
425N95.8Very high91.7Very high0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-67.2-36.2179.3-70.1-65.4000112.5S68 F240 L247 S410 P421 S422 K423 L427 I428 G429S68-N425 WeakPolarHBondContact CA-OD1 3.46Å; S68-N425 WeakPolarHBondContact CB-OD1 3.3Å; S68-N425 PolarHBondContact OG-OD1 2.86Å; F240-N425 HydrophobicContact CD1-CB 4.24Å; F240-N425 WeakPolarHBondContact CD1-OD1 3.33Å; L247-N425 WeakPolarHBondContact CD1-ND2 3.41Å; S410-N425 WeakPolarHBondContact CB-OD1 3.4Å; P421-N425 PolarHBondContact O-N 2.93Å; P421-N425 PolarHBondContact O-ND2 3.25Å; S422-N425 PolarHBondContact O-N 3.49Å; K423-N425 PolarHBondContact O-N 2.85Å; N425-L427 PolarHBondContact O-N 3.26Å; N425-I428 PolarHBondContact O-N 3.05Å; N425-G429 PolarHBondContact O-N 3.02Å
426L95.8Very high91.8Very high76 Ų7630.4 Ų30.440%0.39816%0.161SC..Hα-helixtrans-58.8-47.1172.8-179.565.6000111.7L241 S422 K423 A424 I428 G429 C430L241-L426 HydrophobicContact CD2-CD1 3.72Å; S422-L426 WeakPolarHBondContact O-CB 3.15Å; S422-L426 PolarHBondContact O-N 3.16Å; K423-L426 PolarHBondContact O-N 3.12Å; A424-L426 PolarHBondContact O-N 3.21Å; L426-I428 VanDerWaalsContact C-N 3.35Å; L426-I428 PolarHBondContact O-N 3.41Å; L426-G429 PolarHBondContact O-N 2.9Å; L426-C430 WeakPolarHBondContact O-CB 3.45Å; L426-C430 PolarHBondContact O-N 3.49Å
427L94.4Very high91.7Very high30 Ų3031 Ų3116%0.15717%0.166CC..Hα-helixtrans-62-42.6179.7-70.2173.5000111.6K423 A424 N425 V431 L589 L593K423-L427 HydrophobicContact CG-CD1 4.5Å; K423-L427 VanDerWaalsContact O-CG 3.32Å; K423-L427 WeakPolarHBondContact O-CG 3.12Å; K423-L427 PolarHBondContact O-N 3.39Å; A424-L427 PolarHBondContact O-N 2.98Å; N425-L427 PolarHBondContact O-N 3.26Å; L427-V431 VanDerWaalsContact O-CB 3.23Å; L427-V431 WeakPolarHBondContact O-CB 3.37Å; L427-V431 WeakPolarHBondContact O-CG2 3.36Å; L427-V431 PolarHBondContact O-N 2.88Å; L427-L589 HydrophobicContact CD1-CD1 4.2Å; L427-L589 HydrophobicContact CD1-CD2 4.18Å; L427-L593 HydrophobicContact CB-CD2 4.48Å; L427-L593 HydrophobicContact CD1-CD1 4.27Å; L427-L593 HydrophobicContact CD2-CD1 3.82Å
428I94.4Very high91.7Very high0 Ų034.6 Ų34.60%018%0.184CC..Iπ-helixtrans-63.8-47.6176.8-64.8169.4000110.7F240 M409 S410 L413 A424 N425 L426 C430 M432 V433F240-I428 HydrophobicContact CD1-CB 4.07Å; F240-I428 HydrophobicContact CD1-CD1 4.49Å; F240-I428 HydrophobicContact CD1-CG2 3.85Å; F240-I428 HydrophobicContact CD2-CB 4.5Å; F240-I428 HydrophobicContact CD2-CG2 3.63Å; F240-I428 HydrophobicContact CE1-CB 4.26Å; F240-I428 HydrophobicContact CE1-CD1 4.09Å; F240-I428 HydrophobicContact CE1-CG2 3.76Å; F240-I428 HydrophobicContact CE2-CG2 3.51Å; F240-I428 HydrophobicContact CG-CB 4.22Å; F240-I428 HydrophobicContact CG-CG2 3.83Å; F240-I428 HydrophobicContact CZ-CG2 3.59Å; M409-I428 HydrophobicContact CB-CD1 4.01Å; M409-I428 HydrophobicContact CG-CD1 3.81Å; M409-I428 HydrophobicContact CG-CG1 4.12Å; S410-I428 VanDerWaalsContact CA-CD1 3.49Å; L413-I428 HydrophobicContact CD1-CD1 3.96Å; L413-I428 HydrophobicContact CD1-CG1 3.7Å; A424-I428 WeakPolarHBondContact O-CG1 3.4Å; A424-I428 PolarHBondContact O-N 3.45Å; A424-I428 VanDerWaalsContact O-N 3.14Å; N425-I428 PolarHBondContact O-N 3.05Å; L426-I428 VanDerWaalsContact C-N 3.35Å; L426-I428 PolarHBondContact O-N 3.41Å; I428-C430 PolarHBondContact O-N 2.7Å; I428-M432 HydrophobicContact CG2-CB 4.04Å; I428-M432 HydrophobicContact CG2-CE 3.31Å; I428-M432 HydrophobicContact CG2-SD 3.86Å; I428-M432 WeakPolarHBondContact O-CB 3.29Å; I428-M432 PolarHBondContact O-N 3.48Å; I428-V433 HydrophobicContact CG2-CG2 4.5Å; I428-V433 PolarHBondContact O-N 3.33Å; I428-V433 VanDerWaalsContact O-N 3.15Å
429G93.9Very high91.9Very high2 Ų233.3 Ų33.32%0.02118%0.176CC..Iπ-helixtrans-64.1-35.9-179.900000114N425 L426 P434N425-G429 PolarHBondContact O-N 3.02Å; L426-G429 PolarHBondContact O-N 2.9Å; G429-P434 WeakPolarHBondContact O-CD 3.42Å
430C93.3Very high92Very high73 Ų7334 Ų3449%0.49318%0.18SC..Iπ-helixtrans-89.5-28.5-178.4-70.90000114.4L426 I428 P434L426-C430 WeakPolarHBondContact O-CB 3.45Å; L426-C430 PolarHBondContact O-N 3.49Å; I428-C430 PolarHBondContact O-N 2.7Å; C430-P434 WeakPolarHBondContact O-CG 3.27Å
431V92.3Very high91.9Very high35 Ų3534.5 Ų34.521%0.21219%0.189CC..Iπ-helixtrans-109.2-60.2-174.2-1760000111L427 M435 A597L427-V431 VanDerWaalsContact O-CB 3.23Å; L427-V431 WeakPolarHBondContact O-CB 3.37Å; L427-V431 WeakPolarHBondContact O-CG2 3.36Å; L427-V431 PolarHBondContact O-N 2.88Å; V431-M435 WeakPolarHBondContact O-CB 3.15Å; V431-M435 WeakPolarHBondContact O-CG 3.27Å; V431-M435 PolarHBondContact O-N 3.45Å; V431-A597 HydrophobicContact CG1-CB 3.98Å
432M88.9Confident91.9Very high19 Ų1937.7 Ų37.79%0.09421%0.208CC..Iπ-helixtrans-64.1-51.7-171.5-171.2-172.980.200111.9F240 M409 I428 M435 A436 F596F240-M432 HydrophobicContact CE2-CE 4.25Å; M409-M432 HydrophobicContact CG-SD 4.24Å; I428-M432 HydrophobicContact CG2-CB 4.04Å; I428-M432 HydrophobicContact CG2-CE 3.31Å; I428-M432 HydrophobicContact CG2-SD 3.86Å; I428-M432 WeakPolarHBondContact O-CB 3.29Å; I428-M432 PolarHBondContact O-N 3.48Å; M432-M435 PolarHBondContact O-N 3.47Å; M432-A436 WeakPolarHBondContact O-CB 3.42Å; M432-A436 PolarHBondContact O-N 2.98Å; M432-F596 HydrophobicContact CB-CE1 3.78Å; M432-F596 HydrophobicContact CB-CZ 4.17Å; M432-F596 HydrophobicContact CG-CE1 3.82Å; M432-F596 HydrophobicContact CG-CZ 3.68Å; M432-F596 HydrophobicContact SD-CE1 4.06Å; M432-F596 HydrophobicContact SD-CZ 3.55Å; M432-F596 VanDerWaalsContact SD-CZ 3.55Å
433V90.8Very high91.8Very high7 Ų737.2 Ų37.24%0.04221%0.205CC..Hα-helixtrans-67.9-44.4-171.9-175.70000112.5V233 P236 A237 F240 I428 M435 A436 G437V233-V433 HydrophobicContact CG1-CG1 3.62Å; V233-V433 WeakPolarHBondContact CG1-O 3.38Å; V233-V433 WeakPolarHBondContact O-CG1 3.24Å; P236-V433 HydrophobicContact CB-CG1 4.26Å; P236-V433 HydrophobicContact CB-CG2 4.27Å; A237-V433 HydrophobicContact CB-CB 3.98Å; A237-V433 HydrophobicContact CB-CG1 3.64Å; F240-V433 HydrophobicContact CD2-CG2 3.97Å; F240-V433 HydrophobicContact CE2-CG2 4.3Å; I428-V433 HydrophobicContact CG2-CG2 4.5Å; I428-V433 PolarHBondContact O-N 3.33Å; I428-V433 VanDerWaalsContact O-N 3.15Å; V433-M435 PolarHBondContact O-N 3.18Å; V433-A436 WeakPolarHBondContact O-CB 3.49Å; V433-A436 PolarHBondContact O-N 3.23Å; V433-G437 PolarHBondContact O-N 2.92Å; V433-G437 VanDerWaalsContact O-N 3.1Å
434P90.7Very high91.4Very high54 Ų5433.5 Ų33.535%0.35120%0.196SC..Hα-helixtrans-63.2-39.1174.4-26.838.8000113G429 C430 A436 G437 M438G429-P434 WeakPolarHBondContact O-CD 3.42Å; C430-P434 WeakPolarHBondContact O-CG 3.27Å; P434-A436 VanDerWaalsContact C-N 3.35Å; P434-A436 PolarHBondContact O-N 3.35Å; P434-G437 PolarHBondContact O-N 2.87Å; P434-M438 WeakPolarHBondContact O-CG 3.4Å; P434-M438 PolarHBondContact O-N 3.29Å
435M92.9Very high90.9Very high59 Ų5935.4 Ų35.429%0.29122%0.216SC..Hα-helixtrans-63.4-41.2177.3-68.4-69.8154.800111.8V431 M432 V433 G437 M438 G439 A597V431-M435 WeakPolarHBondContact O-CB 3.15Å; V431-M435 WeakPolarHBondContact O-CG 3.27Å; V431-M435 PolarHBondContact O-N 3.45Å; M432-M435 PolarHBondContact O-N 3.47Å; V433-M435 PolarHBondContact O-N 3.18Å; M435-G437 PolarHBondContact O-N 3.48Å; M435-M438 HydrophobicContact CE-CE 3.4Å; M435-M438 VanDerWaalsContact CE-CE 3.4Å; M435-M438 HydrophobicContact CG-CE 4.17Å; M435-M438 PolarHBondContact O-N 2.84Å; M435-M438 HydrophobicContact SD-CE 3.19Å; M435-M438 WeakPolarHBondContact SD-CE 3.39Å; M435-G439 PolarHBondContact O-N 3.08Å; M435-A597 HydrophobicContact CG-CB 3.93Å; M435-A597 HydrophobicContact SD-CB 4.19Å
436A90.6Very high90.6Very high4 Ų437.9 Ų37.93%0.03323%0.229CC..Hα-helixtrans-58.3-46172.900000112.1M432 V433 P434 G439 C440 F604M432-A436 WeakPolarHBondContact O-CB 3.42Å; M432-A436 PolarHBondContact O-N 2.98Å; V433-A436 WeakPolarHBondContact O-CB 3.49Å; V433-A436 PolarHBondContact O-N 3.23Å; P434-A436 VanDerWaalsContact C-N 3.35Å; P434-A436 PolarHBondContact O-N 3.35Å; A436-G439 PolarHBondContact O-N 3.48Å; A436-C440 PolarHBondContact O-N 3.34Å; A436-F604 HydrophobicContact CB-CB 4Å; A436-F604 HydrophobicContact CB-CD1 3.97Å; A436-F604 HydrophobicContact CB-CD2 3.31Å; A436-F604 HydrophobicContact CB-CE1 4.26Å; A436-F604 HydrophobicContact CB-CE2 3.64Å; A436-F604 HydrophobicContact CB-CG 3.47Å; A436-F604 VanDerWaalsContact CB-CG 3.47Å; A436-F604 HydrophobicContact CB-CZ 4.11Å; A436-F604 WeakPolarHBondContact O-CB 3.11Å
437G88.4Confident90.2Very high11 Ų1135 Ų3511%0.11321%0.214CC..Hα-helixtrans-64.2-44.2177.300000113.5V433 P434 M435 G439 C440 M441V433-G437 PolarHBondContact O-N 2.92Å; V433-G437 VanDerWaalsContact O-N 3.1Å; P434-G437 PolarHBondContact O-N 2.87Å; M435-G437 PolarHBondContact O-N 3.48Å; G437-G439 VanDerWaalsContact C-N 3.28Å; G437-G439 PolarHBondContact O-N 2.88Å; G437-C440 PolarHBondContact O-N 3.46Å; G437-M441 WeakPolarHBondContact O-CG 3.35Å; G437-M441 PolarHBondContact O-N 3.02Å
438M90.8Very high89.6Confident82 Ų8239.5 Ų39.540%0.40424%0.239SC..Hα-helixtrans-61-39174.7-71.4-169.8-5900111.5P434 M435 M441 V442 F601P434-M438 WeakPolarHBondContact O-CG 3.4Å; P434-M438 PolarHBondContact O-N 3.29Å; M435-M438 HydrophobicContact CE-CE 3.4Å; M435-M438 VanDerWaalsContact CE-CE 3.4Å; M435-M438 HydrophobicContact CG-CE 4.17Å; M435-M438 PolarHBondContact O-N 2.84Å; M435-M438 HydrophobicContact SD-CE 3.19Å; M435-M438 WeakPolarHBondContact SD-CE 3.39Å; M438-M441 PolarHBondContact O-N 3.22Å; M438-V442 WeakPolarHBondContact O-CB 3.49Å; M438-V442 VanDerWaalsContact O-CG2 3.26Å; M438-V442 WeakPolarHBondContact O-CG2 3.39Å; M438-V442 PolarHBondContact O-N 2.93Å; M438-F601 HydrophobicContact CB-CD2 4.22Å; M438-F601 HydrophobicContact CB-CE2 4.29Å
439G91.6Very high89.1Confident0 Ų046.4 Ų46.40%027%0.271CS..Hα-helixtrans-53.8-53.9173.900000112.4M435 A436 G437 M441 T443 F601M435-G439 PolarHBondContact O-N 3.08Å; A436-G439 PolarHBondContact O-N 3.48Å; G437-G439 VanDerWaalsContact C-N 3.28Å; G437-G439 PolarHBondContact O-N 2.88Å; G439-M441 PolarHBondContact O-N 2.93Å; G439-T443 WeakPolarHBondContact O-CB 3.28Å; G439-T443 PolarHBondContact O-N 3.18Å; G439-T443 VanDerWaalsContact O-N 3.15Å; G439-T443 PolarHBondContact O-OG1 3.02Å; G439-F601 VanDerWaalsContact CA-CD2 3.42Å; G439-F601 VanDerWaalsContact CA-CE2 3.41Å
440C87.9Confident88.8Confident31 Ų3152.7 Ų52.721%0.20930%0.298CS..Hα-helixtrans-59.3-47.1176.5-67.40000112.7A436 G437 G444 F604 V608A436-C440 PolarHBondContact O-N 3.34Å; G437-C440 PolarHBondContact O-N 3.46Å; C440-G444 PolarHBondContact O-N 3.02Å; C440-F604 PolarHBondContact SG-O 3.45Å; C440-F604 VanDerWaalsContact SG-O 3.39Å; C440-V608 HydrophobicContact CB-CG2 4.12Å
441M86.5Confident88.5Confident123 Ų12359.1 Ų59.161%0.60631%0.311SS*.Hα-helixtrans-68-48.2-175.3-70.4178.669.300112.8G437 M438 G439 T443 G444 G445G437-M441 WeakPolarHBondContact O-CG 3.35Å; G437-M441 PolarHBondContact O-N 3.02Å; M438-M441 PolarHBondContact O-N 3.22Å; G439-M441 PolarHBondContact O-N 2.93Å; M441-T443 VanDerWaalsContact C-N 3.3Å; M441-T443 PolarHBondContact O-N 3.44Å; M441-G444 PolarHBondContact O-N 3.43Å; M441-G445 PolarHBondContact O-N 3.36Å
442V90.9Very high88.1Confident70 Ų7058.6 Ų58.642%0.42431%0.307SS..Hα-helixtrans-61.5-43.8179.41710000109.9M438 G445 I446 F601M438-V442 WeakPolarHBondContact O-CB 3.49Å; M438-V442 VanDerWaalsContact O-CG2 3.26Å; M438-V442 WeakPolarHBondContact O-CG2 3.39Å; M438-V442 PolarHBondContact O-N 2.93Å; V442-G445 PolarHBondContact O-N 2.95Å; V442-I446 HydrophobicContact CG1-CD1 3.79Å; V442-I446 HydrophobicContact CG1-CG1 4.41Å; V442-I446 VanDerWaalsContact O-CG1 3.29Å; V442-I446 WeakPolarHBondContact O-CG1 3.24Å; V442-I446 PolarHBondContact O-N 3.27Å; V442-F601 HydrophobicContact CB-CE2 4.12Å; V442-F601 HydrophobicContact CB-CZ 3.97Å; V442-F601 HydrophobicContact CG1-CZ 4Å; V442-F601 HydrophobicContact CG2-CE2 4.12Å; V442-F601 HydrophobicContact CG2-CZ 4.37Å
443T90.3Very high88.1Confident1 Ų160.1 Ų60.11%0.00632%0.316CS..Hα-helixtrans-65.1-43.6179.2-58.50000112.1G439 M441 G445 I446 V447 F460 L464 A605 V608 P609G439-T443 WeakPolarHBondContact O-CB 3.28Å; G439-T443 PolarHBondContact O-N 3.18Å; G439-T443 VanDerWaalsContact O-N 3.15Å; G439-T443 PolarHBondContact O-OG1 3.02Å; M441-T443 VanDerWaalsContact C-N 3.3Å; M441-T443 PolarHBondContact O-N 3.44Å; T443-G445 VanDerWaalsContact C-N 3.31Å; T443-G445 PolarHBondContact O-N 2.96Å; T443-I446 PolarHBondContact O-N 3.47Å; T443-V447 VanDerWaalsContact O-CG2 3.3Å; T443-V447 WeakPolarHBondContact O-CG2 3.45Å; T443-V447 PolarHBondContact O-N 3.03Å; T443-F460 HydrophobicContact CG2-CD1 4.4Å; T443-F460 HydrophobicContact CG2-CE1 3.56Å; T443-F460 HydrophobicContact CG2-CZ 4.36Å; T443-L464 HydrophobicContact CG2-CD1 4.46Å; T443-A605 WeakPolarHBondContact CG2-O 3.26Å; T443-A605 WeakPolarHBondContact OG1-CB 3.42Å; T443-V608 HydrophobicContact CG2-CB 4.05Å; T443-V608 HydrophobicContact CG2-CG1 4.47Å; T443-P609 HydrophobicContact CG2-CG 4.18Å
444G85.2Confident87.9Confident26 Ų2660.1 Ų60.127%0.26832%0.316SS..Hα-helixtrans-60.5-40.5172.700000112.6C440 M441 V447 N448C440-G444 PolarHBondContact O-N 3.02Å; M441-G444 PolarHBondContact O-N 3.43Å; G444-V447 PolarHBondContact O-N 2.87Å; G444-N448 WeakPolarHBondContact O-CB 3.37Å; G444-N448 PolarHBondContact O-N 3.44Å
445G83.3Confident87.8Confident40 Ų4057.7 Ų57.741%0.41230%0.3SS..Hα-helixtrans-60.4-46.8173.100000112.7M441 V442 T443 N448 H449M441-G445 PolarHBondContact O-N 3.36Å; V442-G445 PolarHBondContact O-N 2.95Å; T443-G445 VanDerWaalsContact C-N 3.31Å; T443-G445 PolarHBondContact O-N 2.96Å; G445-N448 PolarHBondContact O-N 3.25Å; G445-H449 WeakPolarHBondContact O-CB 3.43Å; G445-H449 PolarHBondContact O-N 3.23Å
446I90.1Very high87.8Confident52 Ų5260.1 Ų60.127%0.26731%0.309SS..Hα-helixtrans-61.4-48.4176.9-70.3167.6000110.8V442 T443 N448 H449 F450 L452 F460V442-I446 HydrophobicContact CG1-CD1 3.79Å; V442-I446 HydrophobicContact CG1-CG1 4.41Å; V442-I446 VanDerWaalsContact O-CG1 3.29Å; V442-I446 WeakPolarHBondContact O-CG1 3.24Å; V442-I446 PolarHBondContact O-N 3.27Å; T443-I446 PolarHBondContact O-N 3.47Å; I446-N448 VanDerWaalsContact C-N 3.29Å; I446-N448 PolarHBondContact O-N 3.17Å; I446-H449 PolarHBondContact O-N 2.98Å; I446-F450 HydrophobicContact CB-CD2 4.49Å; I446-F450 HydrophobicContact CG2-CD2 3.87Å; I446-F450 HydrophobicContact CG2-CE2 4.34Å; I446-F450 WeakPolarHBondContact O-CB 3.35Å; I446-F450 WeakPolarHBondContact O-CD2 3.21Å; I446-F450 PolarHBondContact O-N 3.07Å; I446-L452 HydrophobicContact CG2-CD1 4.29Å; I446-F460 HydrophobicContact CD1-CZ 3.99Å; I446-F460 HydrophobicContact CG2-CE1 4.16Å; I446-F460 HydrophobicContact CG2-CZ 4.1Å
447V86.3Confident87.8Confident16 Ų1660 Ų6010%0.09731%0.308CS..Hα-helixtrans-59-41.8179.9170.10000111.3T443 G444 R451 L452 M457T443-V447 VanDerWaalsContact O-CG2 3.3Å; T443-V447 WeakPolarHBondContact O-CG2 3.45Å; T443-V447 PolarHBondContact O-N 3.03Å; G444-V447 PolarHBondContact O-N 2.87Å; V447-R451 WeakPolarHBondContact O-CA 3.42Å; V447-R451 PolarHBondContact O-N 3.25Å; V447-L452 HydrophobicContact CG2-CD1 4.17Å; V447-L452 PolarHBondContact O-N 3.48Å; V447-L452 VanDerWaalsContact O-N 3.09Å; V447-M457 HydrophobicContact CG1-CG 4.37Å; V447-M457 HydrophobicContact CG1-SD 3.67Å; V447-M457 HydrophobicContact CG2-CG 4.45Å; V447-M457 HydrophobicContact CG2-SD 4.48Å
448N82.1Confident88Confident125 Ų12559.6 Ų59.667%0.66830%0.303SS*.Hα-helixtrans-74.7-47.2179.9-172.546000112.6G444 G445 I446 R451G444-N448 WeakPolarHBondContact O-CB 3.37Å; G444-N448 PolarHBondContact O-N 3.44Å; G445-N448 PolarHBondContact O-N 3.25Å; I446-N448 VanDerWaalsContact C-N 3.29Å; I446-N448 PolarHBondContact O-N 3.17Å; N448-R451 WeakPolarHBondContact O-CG 3.21Å; N448-R451 PolarHBondContact O-N 3.45Å
449H84.7Confident88.2Confident145 Ų14561.2 Ų61.267%0.67131%0.308SS*.Hα-helixtrans-63.5-46.1-176.8-176.2-91000111.8G445 I446 R451G445-H449 WeakPolarHBondContact O-CB 3.43Å; G445-H449 PolarHBondContact O-N 3.23Å; I446-H449 PolarHBondContact O-N 2.98Å; H449-R451 VanDerWaalsContact C-N 3.3Å
450F87.9Confident88.4Confident134 Ų13463.9 Ų63.959%0.58832%0.32SS*.THydrogen-bonded Turntrans-87.51.3178.6-65.3-72.9000113.7I446 L452I446-F450 HydrophobicContact CB-CD2 4.49Å; I446-F450 HydrophobicContact CG2-CD2 3.87Å; I446-F450 HydrophobicContact CG2-CE2 4.34Å; I446-F450 WeakPolarHBondContact O-CB 3.35Å; I446-F450 WeakPolarHBondContact O-CD2 3.21Å; I446-F450 PolarHBondContact O-N 3.07Å; F450-L452 VanDerWaalsContact C-N 3.32Å; F450-L452 HydrophobicContact CB-CD2 3.65Å; F450-L452 HydrophobicContact CB-CG 4.11Å; F450-L452 PolarHBondContact O-N 3.05Å
451R85.8Confident88.7Confident207 Ų20762.4 Ų62.478%0.78131%0.31SS*.THydrogen-bonded Turntrans43.157.9-177.1-63.3-173.8175.6-174.3-0.3111.7V447 N448 H449 N453V447-R451 WeakPolarHBondContact O-CA 3.42Å; V447-R451 PolarHBondContact O-N 3.25Å; N448-R451 WeakPolarHBondContact O-CG 3.21Å; N448-R451 PolarHBondContact O-N 3.45Å; H449-R451 VanDerWaalsContact C-N 3.3Å; R451-N453 PolarHBondContact O-N 3.43Å
452L84.9Confident89.2Confident24 Ų2457.8 Ų57.813%0.12629%0.287CS..  trans-66131.1-172.9-60.8-177.3000111.5I446 V447 F450 K456 M457 F460 R616I446-L452 HydrophobicContact CG2-CD1 4.29Å; V447-L452 HydrophobicContact CG2-CD1 4.17Å; V447-L452 PolarHBondContact O-N 3.48Å; V447-L452 VanDerWaalsContact O-N 3.09Å; F450-L452 VanDerWaalsContact C-N 3.32Å; F450-L452 HydrophobicContact CB-CD2 3.65Å; F450-L452 HydrophobicContact CB-CG 4.11Å; F450-L452 PolarHBondContact O-N 3.05Å; L452-K456 HydrophobicContact CB-CB 4.24Å; L452-K456 HydrophobicContact CD2-CB 4.2Å; L452-K456 HydrophobicContact CD2-CD 4.34Å; L452-M457 HydrophobicContact CB-CG 3.57Å; L452-M457 HydrophobicContact CD1-CG 4.46Å; L452-F460 HydrophobicContact CD1-CD1 4.38Å; L452-R616 PolarHBondContact O-NH1 2.7Å; L452-R616 PolarHBondContact O-NH2 2.94Å
453N88.1Confident89.5Confident52 Ų5256.3 Ų56.328%0.27829%0.286SS..  trans-70.9163.9170.2-66.45.1000110.6R451 S455 K456 M457 A711R451-N453 PolarHBondContact O-N 3.43Å; N453-S455 VanDerWaalsContact C-N 3.32Å; N453-S455 PolarHBondContact O-N 3.45Å; N453-K456 PolarHBondContact O-N 2.85Å; N453-M457 WeakPolarHBondContact O-CG 3.34Å; N453-M457 PolarHBondContact O-N 3.31Å; N453-A711 WeakPolarHBondContact ND2-CB 3.43Å
454S87.3Confident89.8Confident7 Ų756.9 Ų56.95%0.04929%0.289CS..Hα-helixtrans-57-42-177.5-52.80000112.9M457 L458 R616S454-M457 PolarHBondContact O-N 3Å; S454-L458 PolarHBondContact O-N 3.48Å; S454-R616 VanDerWaalsContact OG-CD 3.27Å; S454-R616 WeakPolarHBondContact OG-CD 3.45Å
455S89.3Confident90.3Very high2 Ų255.7 Ų55.71%0.01428%0.277CS..Hα-helixtrans-63.9-41.1173.8-172.50000113.2N453 L458 K459 N708N453-S455 VanDerWaalsContact C-N 3.32Å; N453-S455 PolarHBondContact O-N 3.45Å; S455-L458 PolarHBondContact O-N 3.33Å; S455-K459 WeakPolarHBondContact O-CG 3.44Å; S455-K459 PolarHBondContact O-N 3.31Å; S455-N708 WeakPolarHBondContact CB-OD1 3.44Å; S455-N708 PolarHBondContact OG-OD1 3.39Å
456K91.4Very high91Very high111 Ų11160.2 Ų60.248%0.48329%0.285SS..Hα-helixtrans-68.4-38.2177.5-65.7-179.1-176.5172.70111.6L452 N453 L458 K459 F460L452-K456 HydrophobicContact CB-CB 4.24Å; L452-K456 HydrophobicContact CD2-CB 4.2Å; L452-K456 HydrophobicContact CD2-CD 4.34Å; N453-K456 PolarHBondContact O-N 2.85Å; K456-L458 VanDerWaalsContact C-N 3.34Å; K456-K459 PolarHBondContact O-N 3.26Å; K456-F460 WeakPolarHBondContact O-CB 3.35Å; K456-F460 PolarHBondContact O-N 3.47Å
457M91.4Very high91.2Very high0 Ų060.9 Ų60.90%029%0.289CS..Hα-helixtrans-62.8-41.5174.4-70.1-170.9-60.700111.4V447 L452 N453 S454 F460 A461 P609 S612 V613 R616V447-M457 HydrophobicContact CG1-CG 4.37Å; V447-M457 HydrophobicContact CG1-SD 3.67Å; V447-M457 HydrophobicContact CG2-CG 4.45Å; V447-M457 HydrophobicContact CG2-SD 4.48Å; L452-M457 HydrophobicContact CB-CG 3.57Å; L452-M457 HydrophobicContact CD1-CG 4.46Å; N453-M457 WeakPolarHBondContact O-CG 3.34Å; N453-M457 PolarHBondContact O-N 3.31Å; S454-M457 PolarHBondContact O-N 3Å; M457-F460 WeakPolarHBondContact O-CB 3.15Å; M457-F460 PolarHBondContact O-N 3.1Å; M457-A461 PolarHBondContact O-N 3.34Å; M457-P609 HydrophobicContact CB-CB 4.14Å; M457-S612 WeakPolarHBondContact CE-OG 3.39Å; M457-S612 PolarHBondContact SD-OG 2.99Å; M457-V613 HydrophobicContact CB-CG2 3.87Å; M457-V613 HydrophobicContact CE-CG2 3.8Å; M457-R616 VanDerWaalsContact CE-CZ 3.42Å
458L93Very high91.7Very high3 Ų360.1 Ų60.12%0.01628%0.284CS..Hα-helixtrans-65.5-43.4177-172.561.4000112S454 S455 K456 F460 A461 I462 L696 V699 L700 L707S454-L458 PolarHBondContact O-N 3.48Å; S455-L458 PolarHBondContact O-N 3.33Å; K456-L458 VanDerWaalsContact C-N 3.34Å; L458-F460 VanDerWaalsContact C-N 3.29Å; L458-F460 PolarHBondContact O-N 3.35Å; L458-A461 PolarHBondContact O-N 3.01Å; L458-I462 HydrophobicContact CG-CD1 4.38Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.3Å; L458-L696 HydrophobicContact CD1-CB 4.25Å; L458-L696 HydrophobicContact CD1-CD2 3.92Å; L458-L696 HydrophobicContact CD1-CG 4.48Å; L458-V699 HydrophobicContact CD2-CB 4.3Å; L458-V699 HydrophobicContact CD2-CG1 3.77Å; L458-L700 HydrophobicContact CD2-CB 3.78Å; L458-L700 HydrophobicContact CD2-CD1 4Å; L458-L700 HydrophobicContact CD2-CG 4.49Å; L458-L700 HydrophobicContact CG-CB 4.41Å; L458-L700 HydrophobicContact CG-CD1 4.45Å; L458-L707 HydrophobicContact CD2-CD1 4.42Å
459K95Very high92.3Very high117 Ų11755.6 Ų55.651%0.50926%0.26SS..Hα-helixtrans-60.1-39.9173-71175.1-174.5-176.40112.3S455 K456 I462 G463 L700S455-K459 WeakPolarHBondContact O-CG 3.44Å; S455-K459 PolarHBondContact O-N 3.31Å; K456-K459 PolarHBondContact O-N 3.26Å; K459-I462 PolarHBondContact O-N 2.88Å; K459-G463 PolarHBondContact O-N 3Å; K459-L700 HydrophobicContact CG-CD1 4.08Å; K459-L700 HydrophobicContact CG-CD2 3.7Å
460F95.1Very high92.8Very high55 Ų5554.2 Ų54.224%0.24126%0.257CS..Hα-helixtrans-64.6-44.2176.2-178.8-129.5000111.8T443 I446 L452 K456 M457 L458 I462 G463 L464 P609T443-F460 HydrophobicContact CG2-CD1 4.4Å; T443-F460 HydrophobicContact CG2-CE1 3.56Å; T443-F460 HydrophobicContact CG2-CZ 4.36Å; I446-F460 HydrophobicContact CD1-CZ 3.99Å; I446-F460 HydrophobicContact CG2-CE1 4.16Å; I446-F460 HydrophobicContact CG2-CZ 4.1Å; L452-F460 HydrophobicContact CD1-CD1 4.38Å; K456-F460 WeakPolarHBondContact O-CB 3.35Å; K456-F460 PolarHBondContact O-N 3.47Å; M457-F460 WeakPolarHBondContact O-CB 3.15Å; M457-F460 PolarHBondContact O-N 3.1Å; L458-F460 VanDerWaalsContact C-N 3.29Å; L458-F460 PolarHBondContact O-N 3.35Å; F460-I462 PolarHBondContact O-N 3.21Å; F460-G463 PolarHBondContact O-N 3.43Å; F460-L464 HydrophobicContact CD1-CD1 4.24Å; F460-L464 HydrophobicContact CE1-CD1 3.94Å; F460-L464 HydrophobicContact CE2-CD1 4.29Å; F460-L464 HydrophobicContact CE2-CD2 4.34Å; F460-L464 HydrophobicContact CE2-CG 4.22Å; F460-L464 HydrophobicContact CZ-CD1 3.94Å; F460-L464 HydrophobicContact CZ-CD2 4.39Å; F460-L464 HydrophobicContact CZ-CG 4.32Å; F460-L464 WeakPolarHBondContact O-CG 3.14Å; F460-L464 PolarHBondContact O-N 3.4Å; F460-P609 HydrophobicContact CD1-CG 4.48Å
461A95.3Very high93.2Very high0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-60.6-42.5174.700000112.5M457 L458 G463 L464 I465 P609 I610M457-A461 PolarHBondContact O-N 3.34Å; L458-A461 PolarHBondContact O-N 3.01Å; A461-G463 VanDerWaalsContact C-N 3.33Å; A461-G463 PolarHBondContact O-N 3.2Å; A461-L464 PolarHBondContact O-N 3.39Å; A461-I465 WeakPolarHBondContact O-CG1 3.18Å; A461-I465 PolarHBondContact O-N 2.87Å; A461-P609 HydrophobicContact CB-CB 4.38Å; A461-P609 HydrophobicContact CB-CG 3.97Å; A461-I610 HydrophobicContact CB-CD1 4.43Å; A461-I610 HydrophobicContact CB-CG1 4.01Å
462I96.8Very high93.6Very high26 Ų2640.2 Ų40.213%0.13320%0.202CC..Hα-helixtrans-58.9-44.4174-72166.3000110.9L458 K459 F460 L464 I465 F466 L693 L696 I697 L700L458-I462 HydrophobicContact CG-CD1 4.38Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.3Å; K459-I462 PolarHBondContact O-N 2.88Å; F460-I462 PolarHBondContact O-N 3.21Å; I462-L464 VanDerWaalsContact C-N 3.34Å; I462-L464 PolarHBondContact O-N 3.2Å; I462-I465 PolarHBondContact O-N 2.99Å; I462-F466 WeakPolarHBondContact O-CB 3.36Å; I462-F466 PolarHBondContact O-N 2.78Å; I462-L693 HydrophobicContact CB-CD1 4.48Å; I462-L693 HydrophobicContact CG2-CD1 3.77Å; I462-L696 HydrophobicContact CD1-CB 4.25Å; I462-L696 HydrophobicContact CG1-CB 3.86Å; I462-I697 HydrophobicContact CD1-CG1 4.12Å; I462-I697 HydrophobicContact CG2-CG1 4.34Å; I462-L700 HydrophobicContact CD1-CB 4.24Å; I462-L700 HydrophobicContact CD1-CD2 3.86Å
463G96.7Very high94.1Very high39 Ų3942 Ų4240%0.40221%0.214SC..Hα-helixtrans-61.1-40.1175.700000113.1K459 F460 A461 F466 L467K459-G463 PolarHBondContact O-N 3Å; F460-G463 PolarHBondContact O-N 3.43Å; A461-G463 VanDerWaalsContact C-N 3.33Å; A461-G463 PolarHBondContact O-N 3.2Å; G463-F466 PolarHBondContact O-N 3.46Å; G463-L467 WeakPolarHBondContact O-CB 3.21Å; G463-L467 PolarHBondContact O-N 2.87Å
464L96.5Very high94.4Very high14 Ų1439.5 Ų39.57%0.07320%0.201CC..Hα-helixtrans-67.7-39.9176.5-69.6170.5000112.6T443 F460 A461 I462 L467 S468 A605 I606T443-L464 HydrophobicContact CG2-CD1 4.46Å; F460-L464 HydrophobicContact CD1-CD1 4.24Å; F460-L464 HydrophobicContact CE1-CD1 3.94Å; F460-L464 HydrophobicContact CE2-CD1 4.29Å; F460-L464 HydrophobicContact CE2-CD2 4.34Å; F460-L464 HydrophobicContact CE2-CG 4.22Å; F460-L464 HydrophobicContact CZ-CD1 3.94Å; F460-L464 HydrophobicContact CZ-CD2 4.39Å; F460-L464 HydrophobicContact CZ-CG 4.32Å; F460-L464 WeakPolarHBondContact O-CG 3.14Å; F460-L464 PolarHBondContact O-N 3.4Å; A461-L464 PolarHBondContact O-N 3.39Å; I462-L464 VanDerWaalsContact C-N 3.34Å; I462-L464 PolarHBondContact O-N 3.2Å; L464-L467 PolarHBondContact O-N 3.36Å; L464-S468 WeakPolarHBondContact O-CB 3.35Å; L464-S468 PolarHBondContact O-N 3.39Å; L464-A605 HydrophobicContact CD1-CB 3.82Å; L464-A605 HydrophobicContact CD2-CB 4.21Å; L464-I606 HydrophobicContact CB-CD1 4.39Å; L464-I606 HydrophobicContact CB-CG1 3.64Å; L464-I606 HydrophobicContact CD1-CG1 4.45Å
465I96.4Very high94.7Very high1 Ų139.4 Ų39.41%0.00520%0.2CC..Hα-helixtrans-65-43174.8-69.3160.2000110.7A461 I462 L467 S468 L469 I606 T692 L693 L696A461-I465 WeakPolarHBondContact O-CG1 3.18Å; A461-I465 PolarHBondContact O-N 2.87Å; I462-I465 PolarHBondContact O-N 2.99Å; I465-L467 VanDerWaalsContact C-N 3.31Å; I465-L467 PolarHBondContact O-N 3.25Å; I465-S468 WeakPolarHBondContact O-CB 3.43Å; I465-S468 PolarHBondContact O-N 3.1Å; I465-S468 VanDerWaalsContact O-N 3.14Å; I465-L469 HydrophobicContact CG2-CD1 4.32Å; I465-L469 PolarHBondContact O-N 2.63Å; I465-I606 HydrophobicContact CB-CD1 4.28Å; I465-I606 HydrophobicContact CD1-CD1 4.48Å; I465-I606 HydrophobicContact CD1-CG2 4.2Å; I465-I606 HydrophobicContact CG1-CD1 3.36Å; I465-I606 HydrophobicContact CG1-CG1 3.83Å; I465-I606 HydrophobicContact CG1-CG2 4.17Å; I465-T692 HydrophobicContact CD1-CG2 3.83Å; I465-L693 HydrophobicContact CB-CD1 4.37Å; I465-L693 HydrophobicContact CG2-CB 3.93Å; I465-L693 HydrophobicContact CG2-CD1 4.12Å; I465-L696 HydrophobicContact CD1-CD1 3.3Å
466F96.4Very high94.9Very high134 Ų13443.4 Ų43.459%0.58822%0.221SC*.Hα-helixtrans-60.1-42.5175.2-179.5-96.2000111.8I462 G463 S468 L469 L470I462-F466 WeakPolarHBondContact O-CB 3.36Å; I462-F466 PolarHBondContact O-N 2.78Å; G463-F466 PolarHBondContact O-N 3.46Å; F466-S468 VanDerWaalsContact C-N 3.33Å; F466-S468 PolarHBondContact O-N 2.89Å; F466-L469 WeakPolarHBondContact O-CB 3.47Å; F466-L469 PolarHBondContact O-N 3.2Å; F466-L470 PolarHBondContact O-N 2.88Å; F466-L470 VanDerWaalsContact O-N 3.15Å
467L95.9Very high95Very high66 Ų6639.8 Ų39.835%0.34621%0.206SC..Hα-helixtrans-64.4-38.3174.4-174.659.2000111.9G463 L464 I465 L470 F471 C602G463-L467 WeakPolarHBondContact O-CB 3.21Å; G463-L467 PolarHBondContact O-N 2.87Å; L464-L467 PolarHBondContact O-N 3.36Å; I465-L467 VanDerWaalsContact C-N 3.31Å; I465-L467 PolarHBondContact O-N 3.25Å; L467-L470 HydrophobicContact CD1-CD2 4.4Å; L467-L470 WeakPolarHBondContact O-CB 3.47Å; L467-L470 PolarHBondContact O-N 3.36Å; L467-F471 HydrophobicContact CD1-CD2 4.26Å; L467-F471 HydrophobicContact CD1-CE2 3.51Å; L467-F471 HydrophobicContact CD1-CZ 4.09Å; L467-F471 HydrophobicContact CD2-CE2 4.39Å; L467-F471 HydrophobicContact CG-CD2 4.21Å; L467-F471 HydrophobicContact CG-CE2 3.68Å; L467-F471 WeakPolarHBondContact O-CD2 3.26Å; L467-F471 PolarHBondContact O-N 3.21Å; L467-C602 VanDerWaalsContact CD2-SG 3.52Å
468S95.6Very high95Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-64.5-37.6174.4-164.70000112.6L464 I465 F466 L470 F471 S472 L599 T603 Q689L464-S468 WeakPolarHBondContact O-CB 3.35Å; L464-S468 PolarHBondContact O-N 3.39Å; I465-S468 WeakPolarHBondContact O-CB 3.43Å; I465-S468 PolarHBondContact O-N 3.1Å; I465-S468 VanDerWaalsContact O-N 3.14Å; F466-S468 VanDerWaalsContact C-N 3.33Å; F466-S468 PolarHBondContact O-N 2.89Å; S468-L470 VanDerWaalsContact C-N 3.31Å; S468-L470 PolarHBondContact O-N 3.4Å; S468-F471 PolarHBondContact O-N 2.9Å; S468-S472 PolarHBondContact O-N 3.25Å; S468-S472 PolarHBondContact O-OG 3.15Å; S468-L599 WeakPolarHBondContact O-CD1 3.35Å; S468-L599 WeakPolarHBondContact OG-CD1 3.34Å; S468-T603 WeakPolarHBondContact OG-CG2 3.44Å; S468-Q689 PolarHBondContact OG-NE2 3.09Å
469L95.3Very high94.8Very high30 Ų3042.7 Ų42.716%0.15722%0.218CC..Hα-helixtrans-62.2-39.1173.8-83.3162.9000111.5I465 F466 F471 S472 I686 Q689 I690 L693I465-L469 HydrophobicContact CG2-CD1 4.32Å; I465-L469 PolarHBondContact O-N 2.63Å; F466-L469 WeakPolarHBondContact O-CB 3.47Å; F466-L469 PolarHBondContact O-N 3.2Å; L469-F471 VanDerWaalsContact C-N 3.28Å; L469-F471 PolarHBondContact O-N 3.13Å; L469-S472 WeakPolarHBondContact O-CB 3.42Å; L469-S472 PolarHBondContact O-N 3.34Å; L469-I686 HydrophobicContact CD2-CB 4.5Å; L469-I686 HydrophobicContact CD2-CG1 4.43Å; L469-I686 HydrophobicContact CD2-CG2 4.25Å; L469-Q689 HydrophobicContact CD1-CB 4.37Å; L469-Q689 HydrophobicContact CD2-CB 3.54Å; L469-Q689 VanDerWaalsContact CD2-OE1 3.3Å; L469-Q689 HydrophobicContact CG-CB 3.81Å; L469-I690 HydrophobicContact CD1-CG1 4.39Å; L469-I690 HydrophobicContact CD2-CG1 4.03Å; L469-L693 HydrophobicContact CD1-CD2 3.83Å
470L95.8Very high94.2Very high116 Ų11642 Ų4261%0.60723%0.225SC*.Hα-helixtrans-63.2-32.7178.6-174.964.3000112.9F466 L467 S468 P473F466-L470 PolarHBondContact O-N 2.88Å; F466-L470 VanDerWaalsContact O-N 3.15Å; L467-L470 HydrophobicContact CD1-CD2 4.4Å; L467-L470 WeakPolarHBondContact O-CB 3.47Å; L467-L470 PolarHBondContact O-N 3.36Å; S468-L470 VanDerWaalsContact C-N 3.31Å; S468-L470 PolarHBondContact O-N 3.4Å; L470-P473 WeakPolarHBondContact O-CD 3.19Å
471F95.9Very high93.3Very high47 Ų4742.3 Ų42.321%0.20623%0.227CC..Hα-helixtrans-88.3-13.4178.3-65.8-59.9000114.2L467 S468 L469 P473 M474 L595 P598 L599L467-F471 HydrophobicContact CD1-CD2 4.26Å; L467-F471 HydrophobicContact CD1-CE2 3.51Å; L467-F471 HydrophobicContact CD1-CZ 4.09Å; L467-F471 HydrophobicContact CD2-CE2 4.39Å; L467-F471 HydrophobicContact CG-CD2 4.21Å; L467-F471 HydrophobicContact CG-CE2 3.68Å; L467-F471 WeakPolarHBondContact O-CD2 3.26Å; L467-F471 PolarHBondContact O-N 3.21Å; S468-F471 PolarHBondContact O-N 2.9Å; L469-F471 VanDerWaalsContact C-N 3.28Å; L469-F471 PolarHBondContact O-N 3.13Å; F471-P473 VanDerWaalsContact C-N 3.35Å; F471-M474 WeakPolarHBondContact O-CB 3.17Å; F471-M474 WeakPolarHBondContact O-CG 3.39Å; F471-M474 PolarHBondContact O-N 3.26Å; F471-M474 VanDerWaalsContact O-N 3.13Å; F471-L595 HydrophobicContact CD1-CD2 4.05Å; F471-L595 HydrophobicContact CE1-CD2 4.41Å; F471-P598 HydrophobicContact CD1-CG 4.03Å; F471-P598 HydrophobicContact CD2-CB 4.08Å; F471-P598 HydrophobicContact CD2-CG 4.33Å; F471-P598 HydrophobicContact CE1-CB 4.27Å; F471-P598 HydrophobicContact CE1-CG 3.89Å; F471-P598 HydrophobicContact CE2-CB 3.72Å; F471-P598 HydrophobicContact CE2-CG 4.19Å; F471-P598 HydrophobicContact CG-CG 4.26Å; F471-P598 HydrophobicContact CZ-CB 3.83Å; F471-P598 HydrophobicContact CZ-CG 3.98Å; F471-L599 HydrophobicContact CB-CB 3.94Å; F471-L599 HydrophobicContact CB-CD1 3.93Å
472S94.4Very high92.6Very high0 Ų043.2 Ų43.20%024%0.235CC..G310 helixtrans-58.5-30-179.1-67.60000115.9S468 L469 M474 Y475 L682 Q689S468-S472 PolarHBondContact O-N 3.25Å; S468-S472 PolarHBondContact O-OG 3.15Å; L469-S472 WeakPolarHBondContact O-CB 3.42Å; L469-S472 PolarHBondContact O-N 3.34Å; S472-M474 PolarHBondContact O-N 3.39Å; S472-Y475 WeakPolarHBondContact O-CD2 3.33Å; S472-Y475 PolarHBondContact O-N 3.33Å; S472-L682 WeakPolarHBondContact O-CD1 3.48Å; S472-Q689 PolarHBondContact OG-OE1 3.34Å
473P94.1Very high92Very high61 Ų6143.6 Ų43.640%0.39624%0.239SC..G310 helixtrans-57.6-8.4172.8-26.336.2000115.3L470 F471 Y475 L476L470-P473 WeakPolarHBondContact O-CD 3.19Å; F471-P473 VanDerWaalsContact C-N 3.35Å; P473-Y475 PolarHBondContact O-N 3.22Å; P473-L476 WeakPolarHBondContact O-CB 3.39Å; P473-L476 PolarHBondContact O-N 3.03Å
474M94.3Very high91.6Very high0 Ų042 Ų420%022%0.221CC..G310 helixtrans-49.3-30.6171.970.3172.1-162.900113.5F471 S472 L476 I477 F592 L595 F596 L599F471-M474 WeakPolarHBondContact O-CB 3.17Å; F471-M474 WeakPolarHBondContact O-CG 3.39Å; F471-M474 PolarHBondContact O-N 3.26Å; F471-M474 VanDerWaalsContact O-N 3.13Å; S472-M474 PolarHBondContact O-N 3.39Å; M474-L476 PolarHBondContact O-N 3.49Å; M474-I477 WeakPolarHBondContact O-CB 3.28Å; M474-I477 PolarHBondContact O-N 3.29Å; M474-F592 HydrophobicContact CE-CE2 4.43Å; M474-F592 HydrophobicContact CE-CZ 4.46Å; M474-F592 HydrophobicContact CG-CE2 4.34Å; M474-F592 HydrophobicContact SD-CE2 4.32Å; M474-L595 HydrophobicContact CB-CB 3.75Å; M474-L595 HydrophobicContact CB-CD1 4.15Å; M474-F596 HydrophobicContact CE-CD2 3.59Å; M474-F596 HydrophobicContact CE-CE2 4.06Å; M474-F596 HydrophobicContact SD-CB 3.88Å; M474-F596 HydrophobicContact SD-CD2 3.59Å; M474-F596 VanDerWaalsContact SD-CD2 3.59Å; M474-F596 HydrophobicContact SD-CG 4.22Å; M474-L599 HydrophobicContact CE-CD2 3.14Å; M474-L599 HydrophobicContact CG-CD2 4.42Å; M474-L599 HydrophobicContact SD-CB 4.3Å; M474-L599 HydrophobicContact SD-CD2 3.4Å; M474-L599 WeakPolarHBondContact SD-CD2 3.41Å; M474-L599 HydrophobicContact SD-CG 4.45Å
475Y94.4Very high91.2Very high6 Ų641.3 Ų41.32%0.02422%0.217CC..G310 helixtrans-65.6-21-179.6-70.7-65000112.8Y412 S472 P473 I477 A678 F681 L682 T685Y412-Y475 AromaticContact CE1-CD1 3.98Å; Y412-Y475 HydrophobicContact CE1-CD1 3.98Å; Y412-Y475 HydrophobicContact CE1-CE1 4.3Å; Y412-Y475 HydrophobicContact CE2-CD1 4.22Å; Y412-Y475 AromaticContact CZ-CD1 3.6Å; Y412-Y475 WeakPolarHBondContact OH-CD1 3.15Å; Y412-Y475 PolarHBondContact OH-O 2.91Å; S472-Y475 WeakPolarHBondContact O-CD2 3.33Å; S472-Y475 PolarHBondContact O-N 3.33Å; P473-Y475 PolarHBondContact O-N 3.22Å; Y475-I477 PolarHBondContact O-N 3.42Å; Y475-A678 VanDerWaalsContact O-CB 3.25Å; Y475-A678 WeakPolarHBondContact O-CB 3.42Å; Y475-F681 HydrophobicContact CD1-CB 3.98Å; Y475-F681 HydrophobicContact CD1-CD1 4.38Å; Y475-F681 HydrophobicContact CE1-CB 4.16Å; Y475-F681 AromaticContact CE1-CD1 3.84Å; Y475-F681 HydrophobicContact CE1-CD1 3.84Å; Y475-F681 HydrophobicContact CE1-CG 4.47Å; Y475-F681 HydrophobicContact CG-CB 4.18Å; Y475-L682 HydrophobicContact CD2-CB 4.49Å; Y475-L682 HydrophobicContact CD2-CD1 4.31Å; Y475-T685 HydrophobicContact CE2-CG2 4.14Å; Y475-T685 WeakPolarHBondContact CE2-OG1 3.16Å
476L94.1Very high90.6Very high85 Ų8541.4 Ų41.445%0.44522%0.218SC..G310 helixtrans-73.1-12.1174.2-60.9177.5000113P473 M474 Y478 L682P473-L476 WeakPolarHBondContact O-CB 3.39Å; P473-L476 PolarHBondContact O-N 3.03Å; M474-L476 PolarHBondContact O-N 3.49Å; L476-Y478 VanDerWaalsContact O-CD1 3.22Å; L476-Y478 WeakPolarHBondContact O-CD1 3.44Å; L476-Y478 WeakPolarHBondContact O-CE1 3.28Å; L476-Y478 PolarHBondContact O-N 3.15Å; L476-L682 HydrophobicContact CD1-CD2 4.06Å; L476-L682 HydrophobicContact CD2-CD2 3.65Å; L476-L682 HydrophobicContact CG-CD2 3.77Å
477I93.4Very high90Very high35 Ų3536.5 Ų36.518%0.17920%0.199CC..  trans-86.4108.2174.2-54.6179.5000107.5F417 M474 Y475 E588 W591 F592 L595F417-I477 VanDerWaalsContact CZ-O 3.26Å; F417-I477 WeakPolarHBondContact CZ-O 3.06Å; M474-I477 WeakPolarHBondContact O-CB 3.28Å; M474-I477 PolarHBondContact O-N 3.29Å; Y475-I477 PolarHBondContact O-N 3.42Å; I477-E588 HydrophobicContact CG2-CB 3.71Å; I477-E588 WeakPolarHBondContact CG2-O 3.41Å; I477-W591 HydrophobicContact CD1-CB 4.13Å; I477-F592 HydrophobicContact CB-CB 4.44Å; I477-F592 HydrophobicContact CG2-CB 4.11Å; I477-L595 HydrophobicContact CD1-CD1 3.68Å
478Y91.6Very high89.3Confident64 Ų6437.7 Ų37.725%0.25121%0.206SC..  trans-146.9163.1174.958.7-89.2000109.8L476 N674 Q675 A678L476-Y478 VanDerWaalsContact O-CD1 3.22Å; L476-Y478 WeakPolarHBondContact O-CD1 3.44Å; L476-Y478 WeakPolarHBondContact O-CE1 3.28Å; L476-Y478 PolarHBondContact O-N 3.15Å; Y478-N674 HydrophobicContact CD2-CB 3.86Å; Y478-N674 HydrophobicContact CE2-CB 4.26Å; Y478-N674 HydrophobicContact CG-CB 4.49Å; Y478-Q675 HydrophobicContact CE2-CB 4.41Å; Y478-Q675 WeakPolarHBondContact OH-CB 2.99Å; Y478-Q675 WeakPolarHBondContact OH-CG 3.03Å; Y478-A678 HydrophobicContact CD1-CB 3.93Å; Y478-A678 HydrophobicContact CE1-CB 4.26Å
479C88.3Confident88.7Confident1 Ų138.4 Ų38.41%0.00721%0.211CC..PPolyproline II helixtrans-91.1134.6177.4-48.30000109.7Q416 F417 H481 C586 N674Q416-C479 PolarHBondContact O-N 3.44Å; F417-C479 WeakPolarHBondContact CD1-SG 3.45Å; C479-H481 PolarHBondContact O-N 2.87Å; C479-C586 HydrophobicContact CB-CB 3.84Å; C479-C586 WeakPolarHBondContact CB-SG 3.43Å; C479-C586 WeakPolarHBondContact SG-CB 3.29Å; C479-C586 CovalentContact SG-SG 2Å; C479-C586 PolarHBondContact SG-SG 3.3Å; C479-N674 PolarHBondContact O-ND2 3.31Å
480P81.2Confident88.2Confident103 Ų10338.4 Ų38.467%0.66922%0.216SC*.PPolyproline II helixtrans-63.4134.3164.127.4-31.3000108.6
481H77.7Confident87.7Confident61 Ų6133.6 Ų33.628%0.28219%0.189SC..PPolyproline II helixtrans-81.7154.9171.7-71-43.4000110.6R415 C479 N674R415-H481 PolarHBondContact O-CE1 2.97Å; R415-H481 PolarHBondContact O-NE2 2.67Å; C479-H481 PolarHBondContact O-N 2.87Å; H481-N674 VanDerWaalsContact CD2-CG 3.46Å; H481-N674 PolarHBondContact CD2-ND2 3.49Å; H481-N674 PolarHBondContact CD2-OD1 3.31Å; H481-N674 PolarHBondContact CE1-ND2 2.04Å; H481-N674 PolarHBondContact NE2-ND2 3.41Å; H481-N674 PolarHBondContact NE2-OD1 2.8Å; H481-N674 VanDerWaalsContact NE2-OD1 3.16Å
482A80.9Confident87.1Confident19 Ų1932 Ų3216%0.15718%0.184CC..PPolyproline II helixtrans-61131.6167.500000108.9L484 Q538 C582A482-L484 PolarHBondContact O-N 2.86Å; A482-Q538 HydrophobicContact CB-CB 4Å; A482-C582 HydrophobicContact CB-CB 3.67Å
483P84Confident86.4Confident33 Ų3337.2 Ų37.221%0.21421%0.208CC..PPolyproline II helixtrans-60.1137-176.324.2-34.2000110.8F539 T540P483-F539 HydrophobicContact CG-CD1 3.89Å; P483-F539 HydrophobicContact CG-CE1 4.12Å; P483-T540 PolarHBondContact O-N 3.07Å
484L87Confident85.3Confident5 Ų541.7 Ų41.73%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-86.6110.3174.9-177.163.6000109.2A482 G486 V487 D488 S489 T540 M671A482-L484 PolarHBondContact O-N 2.86Å; L484-G486 PolarHBondContact O-N 3.28Å; L484-V487 HydrophobicContact CB-CB 4.45Å; L484-V487 HydrophobicContact CD2-CB 3.86Å; L484-V487 HydrophobicContact CD2-CG1 4.29Å; L484-V487 HydrophobicContact CD2-CG2 3.77Å; L484-V487 HydrophobicContact CG-CB 4.07Å; L484-V487 HydrophobicContact CG-CG2 4.1Å; L484-V487 PolarHBondContact O-N 2.92Å; L484-D488 HydrophobicContact CB-CB 4.31Å; L484-D488 PolarHBondContact O-N 3.23Å; L484-S489 PolarHBondContact O-N 3.45Å; L484-T540 CarbonylContact C-O 3.5Å; L484-T540 WeakPolarHBondContact CA-O 3.49Å; L484-T540 HydrophobicContact CD1-CG2 3.92Å; L484-T540 WeakPolarHBondContact CD1-O 3.4Å; L484-M671 HydrophobicContact CB-CE 4.14Å; L484-M671 HydrophobicContact CB-SD 3.78Å; L484-M671 HydrophobicContact CD2-SD 3.56Å; L484-M671 VanDerWaalsContact CD2-SD 3.56Å; L484-M671 HydrophobicContact CG-SD 4.32Å
485V88.1Confident84.1Confident0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-66.1131.3-177.2178.40000110.8V487 Y491 F539 T540 Y541V485-V487 VanDerWaalsContact C-N 3.33Å; V485-Y491 HydrophobicContact CG1-CD1 3.49Å; V485-Y491 VanDerWaalsContact CG1-CD1 3.49Å; V485-Y491 HydrophobicContact CG1-CD2 3.63Å; V485-Y491 HydrophobicContact CG1-CE1 3.66Å; V485-Y491 HydrophobicContact CG1-CE2 3.81Å; V485-Y491 HydrophobicContact CG1-CG 3.45Å; V485-Y491 VanDerWaalsContact CG1-CG 3.45Å; V485-F539 HydrophobicContact CG2-CB 4.11Å; V485-F539 HydrophobicContact CG2-CD1 4.14Å; V485-T540 PolarHBondContact N-O 3.08Å; V485-Y541 HydrophobicContact CB-CD1 3.89Å; V485-Y541 HydrophobicContact CB-CE1 3.96Å; V485-Y541 HydrophobicContact CB-CG 4.46Å; V485-Y541 HydrophobicContact CG1-CD1 4.03Å; V485-Y541 HydrophobicContact CG1-CE1 3.83Å; V485-Y541 HydrophobicContact CG2-CD1 4.26Å; V485-Y541 HydrophobicContact CG2-CE1 3.98Å
486G83.4Confident82.9Confident3 Ų345.8 Ų45.83%0.03124%0.244CC..THydrogen-bonded Turntrans80.77.7-177.600000114.6L484 S489 E510 L511L484-G486 PolarHBondContact O-N 3.28Å; G486-S489 PolarHBondContact N-O 3.48Å; G486-E510 WeakPolarHBondContact CA-O 3.18Å; G486-E510 CarbonylContact O-C 3.59Å; G486-L511 PolarHBondContact O-N 2.8Å
487V83.8Confident82.1Confident31 Ų3143.7 Ų43.719%0.18824%0.236CC..THydrogen-bonded Turntrans-136.1-54.1175.8-177.30000111.5L484 V485 P509 L511 Y542 I655L484-V487 HydrophobicContact CB-CB 4.45Å; L484-V487 HydrophobicContact CD2-CB 3.86Å; L484-V487 HydrophobicContact CD2-CG1 4.29Å; L484-V487 HydrophobicContact CD2-CG2 3.77Å; L484-V487 HydrophobicContact CG-CB 4.07Å; L484-V487 HydrophobicContact CG-CG2 4.1Å; L484-V487 PolarHBondContact O-N 2.92Å; V485-V487 VanDerWaalsContact C-N 3.33Å; V487-P509 VanDerWaalsContact O-CG 3.22Å; V487-P509 WeakPolarHBondContact O-CG 3.48Å; V487-L511 HydrophobicContact CG2-CD2 3.77Å; V487-L511 HydrophobicContact CG2-CG 4.49Å; V487-Y542 HydrophobicContact CG2-CD2 4.41Å; V487-I655 HydrophobicContact CG1-CG2 3.95Å
488D81.4Confident81.2Confident92 Ų9245.6 Ų45.649%0.49225%0.246SC..THydrogen-bonded Turntrans-100.5-32.6-179-169.437.4000111.1L484 M671L484-D488 HydrophobicContact CB-CB 4.31Å; L484-D488 PolarHBondContact O-N 3.23Å; D488-M671 HydrophobicContact CB-CE 4.29Å
489S82.6Confident80.1Confident14 Ų1444.2 Ų44.210%0.09825%0.245CC..BIsolated β-bridgetrans-132.7157.4175.473.60000112.2L484 G486L484-S489 PolarHBondContact O-N 3.45Å; G486-S489 PolarHBondContact N-O 3.48Å
490A85.6Confident78.7Confident31 Ų3150.7 Ų50.726%0.25628%0.28SS..PPolyproline II helixtrans-65.7165166.700000111.3I498 P499A490-I498 HydrophobicContact CB-CG2 4.45Å; A490-P499 HydrophobicContact CB-CG 4.16Å
491Y85.3Confident77.4Confident14 Ų1453.2 Ų53.26%0.05528%0.277CS..PPolyproline II helixtrans-64136.3172.7-82-99.5000110.9V485 P499 L511 N513 N516 Y541 Y546 C565V485-Y491 HydrophobicContact CG1-CD1 3.49Å; V485-Y491 VanDerWaalsContact CG1-CD1 3.49Å; V485-Y491 HydrophobicContact CG1-CD2 3.63Å; V485-Y491 HydrophobicContact CG1-CE1 3.66Å; V485-Y491 HydrophobicContact CG1-CE2 3.81Å; V485-Y491 HydrophobicContact CG1-CG 3.45Å; V485-Y491 VanDerWaalsContact CG1-CG 3.45Å; Y491-P499 WeakPolarHBondContact O-CD 3.24Å; Y491-L511 PolarHBondContact OH-O 3.05Å; Y491-N513 WeakPolarHBondContact CB-ND2 3.3Å; Y491-N513 HydrophobicContact CD1-CB 4.43Å; Y491-N513 HydrophobicContact CD2-CB 3.55Å; Y491-N513 HydrophobicContact CE2-CB 3.76Å; Y491-N513 HydrophobicContact CG-CB 3.93Å; Y491-N513 VanDerWaalsContact CG-ND2 3.32Å; Y491-N516 PolarHBondContact OH-ND2 3.44Å; Y491-Y541 HydrophobicContact CD1-CE1 4.06Å; Y491-Y541 HydrophobicContact CE1-CD1 4.05Å; Y491-Y541 AromaticContact CE1-CE1 3.91Å; Y491-Y541 HydrophobicContact CE1-CE1 3.91Å; Y491-Y546 PolarHBondContact OH-O 3.5Å; Y491-Y546 VanDerWaalsContact OH-O 3.09Å; Y491-C565 HydrophobicContact CD1-CB 3.84Å; Y491-C565 HydrophobicContact CE1-CB 3.66Å
492P84.1Confident76.1Confident15 Ų1557.5 Ų57.510%0.09730%0.302CS..PPolyproline II helixtrans-68147177.528.8-33.7000111S497 F539 Y541 P567P492-S497 CarbonylContact C-O 3.59Å; P492-S497 WeakPolarHBondContact CA-O 3.39Å; P492-F539 HydrophobicContact CB-CZ 4.3Å; P492-Y541 WeakPolarHBondContact CG-OH 3.36Å; P492-P567 HydrophobicContact CB-CG 4.1Å; P492-P567 HydrophobicContact CG-CG 3.87Å
493E79.9Confident74.5Confident108 Ų10860.6 Ų60.651%0.50533%0.327SS..  trans-74175169.7-67.7-169.9-175.700111.2D495 G496 S497E493-D495 PolarHBondContact O-N 2.82Å; E493-D495 VanDerWaalsContact O-N 3.16Å; E493-G496 WeakPolarHBondContact O-CA 3.11Å; E493-G496 PolarHBondContact O-N 3.46Å; E493-S497 PolarHBondContact N-O 3.36Å
494F70.4Confident72.5Confident156 Ų15665.2 Ų65.268%0.68436%0.355SS*.THydrogen-bonded Turntrans-59.4-27.7-175.4-79.2-81.6000114G496F494-G496 VanDerWaalsContact C-N 3.28Å
495D68.9Low70.5Confident91 Ų9174.5 Ų74.549%0.48739%0.391SS..THydrogen-bonded Turntrans-84.5-0.8176.168.7-14.9000113.3E493 S497E493-D495 PolarHBondContact O-N 2.82Å; E493-D495 VanDerWaalsContact O-N 3.16Å; D495-S497 VanDerWaalsContact C-N 3.27Å; D495-S497 VanDerWaalsContact CG-OG 3.31Å; D495-S497 VanDerWaalsContact OD1-CB 3.24Å; D495-S497 WeakPolarHBondContact OD1-CB 3.22Å; D495-S497 PolarHBondContact OD1-N 3.24Å; D495-S497 PolarHBondContact OD1-OG 3.39Å; D495-S497 PolarHBondContact OD2-OG 2.8Å
496G69.8Low68.3Low0 Ų080.5 Ų80.50%043%0.433CS..SBendtrans76.310.8-175.400000113.8E493 F494 R537E493-G496 WeakPolarHBondContact O-CA 3.11Å; E493-G496 PolarHBondContact O-N 3.46Å; F494-G496 VanDerWaalsContact C-N 3.28Å; G496-R537 PolarHBondContact O-NH1 2.73Å
497S76.9Confident67Low41 Ų4186.6 Ų86.629%0.28746%0.459SS..PPolyproline II helixtrans-75.5146.5168.970.60000110.2P492 E493 D495P492-S497 CarbonylContact C-O 3.59Å; P492-S497 WeakPolarHBondContact CA-O 3.39Å; E493-S497 PolarHBondContact N-O 3.36Å; D495-S497 VanDerWaalsContact C-N 3.27Å; D495-S497 VanDerWaalsContact CG-OG 3.31Å; D495-S497 VanDerWaalsContact OD1-CB 3.24Å; D495-S497 WeakPolarHBondContact OD1-CB 3.22Å; D495-S497 PolarHBondContact OD1-N 3.24Å; D495-S497 PolarHBondContact OD1-OG 3.39Å; D495-S497 PolarHBondContact OD2-OG 2.8Å
498I74.3Confident66.1Low76 Ų7691.7 Ų91.739%0.3949%0.485SS..PPolyproline II helixtrans-94.2125.8172.5-54.2175.6000106.1A490 D500 F539A490-I498 HydrophobicContact CB-CG2 4.45Å; I498-D500 PolarHBondContact O-N 3.34Å; I498-F539 HydrophobicContact CD1-CE1 3.84Å; I498-F539 HydrophobicContact CD1-CZ 4.44Å; I498-F539 HydrophobicContact CG1-CE1 3.97Å; I498-F539 HydrophobicContact CG1-CZ 4.26Å
499P68.3Low65.7Low34 Ų3490 Ų9022%0.22148%0.479CS..PPolyproline II helixtrans-62.2122.7-179.920.8-28.6000110.4A490 Y491 Y501A490-P499 HydrophobicContact CB-CG 4.16Å; Y491-P499 WeakPolarHBondContact O-CD 3.24Å; P499-Y501 HydrophobicContact CB-CD2 4.4Å; P499-Y501 PolarHBondContact O-N 3.24Å; P499-Y501 VanDerWaalsContact O-N 3.09Å
500D58.5Low65.7Low138 Ų13894.1 Ų94.174%0.73850%0.497SS*.  trans-77.693.9179.9-160.8-3.6000109.4I498 N502I498-D500 PolarHBondContact O-N 3.34Å; D500-N502 PolarHBondContact O-N 2.93Å; D500-N502 VanDerWaalsContact O-N 3.13Å; D500-N502 PolarHBondContact OD1-ND2 2.86Å
501Y55Low65.6Low156 Ų15693.9 Ų93.961%0.61249%0.491SS*.  trans-78.915.2-172.1-117.4-91.6000114.4P499 A503P499-Y501 HydrophobicContact CB-CD2 4.4Å; P499-Y501 PolarHBondContact O-N 3.24Å; P499-Y501 VanDerWaalsContact O-N 3.09Å; Y501-A503 PolarHBondContact O-N 2.83Å
502N49.8Very low65.7Low151 Ų15196.8 Ų96.881%0.80751%0.506SS*.THydrogen-bonded Turntrans-78.320.7-172.2-89.5-29.6000116.1D500D500-N502 PolarHBondContact O-N 2.93Å; D500-N502 VanDerWaalsContact O-N 3.13Å; D500-N502 PolarHBondContact OD1-ND2 2.86Å
503A48.5Very low65.7Low83 Ų8398.8 Ų98.869%0.68652%0.516SS*.THydrogen-bonded Turntrans-125.4-17.1-172.500000118.8Y501Y501-A503 PolarHBondContact O-N 2.83Å
504T41.8Very low66Low130 Ų13097.7 Ų97.780%0.79852%0.52SS*.SBendtrans-163.6-10.7177.3-2.40000121.3
505Y44.1Very low66.7Low200 Ų20091.5 Ų91.578%0.78450%0.496SS*.  trans-150.9112.4172.8-101.9-91.3000109.7K507Y505-K507 PolarHBondContact O-N 3.31Å
506S42.8Very low67.7Low127 Ų12787.2 Ų87.289%0.88847%0.473SS*.  trans-67.690174.453.90000109.9
507K55.7Low68.4Low130 Ų13094.7 Ų94.757%0.56551%0.506SS*.  trans-110.8116.5165.6-152.8179.8-171.8-149.20107.3Y505 E510Y505-K507 PolarHBondContact O-N 3.31Å; K507-E510 WeakPolarHBondContact CE-OE1 3.16Å; K507-E510 IonicContact NZ-OE1 2.82Å; K507-E510 PolarHBondContact NZ-OE1 2.65Å; K507-E510 IonicContact NZ-OE2 2.74Å; K507-E510 PolarHBondContact NZ-OE2 2.8Å
508D64.6Low68.6Low139 Ų139100.2 Ų100.274%0.74353%0.527SS*.PPolyproline II helixtrans-53.7144.3172.9-65.6-42.8000109.3E510D508-E510 PolarHBondContact O-N 3.03Å
509P72.2Confident68.9Low55 Ų5597.2 Ų97.236%0.35751%0.513SS..PPolyproline II helixtrans-56.6126.7178.222.8-32.8000110.3V487V487-P509 VanDerWaalsContact O-CG 3.22Å; V487-P509 WeakPolarHBondContact O-CG 3.48Å
510E82.9Confident69.6Low102 Ų102100.2 Ų100.248%0.47753%0.53SS..PPolyproline II helixtrans-103.1145178.6-71.9176170.200110.5G486 K507 D508 M512G486-E510 WeakPolarHBondContact CA-O 3.18Å; G486-E510 CarbonylContact O-C 3.59Å; K507-E510 WeakPolarHBondContact CE-OE1 3.16Å; K507-E510 IonicContact NZ-OE1 2.82Å; K507-E510 PolarHBondContact NZ-OE1 2.65Å; K507-E510 IonicContact NZ-OE2 2.74Å; K507-E510 PolarHBondContact NZ-OE2 2.8Å; D508-E510 PolarHBondContact O-N 3.03Å; E510-M512 PolarHBondContact O-N 3.08Å
511L84.9Confident70.7Confident25 Ų2594.3 Ų94.313%0.13150%0.499CS..SBendtrans-63-29.6175.6-72.7170.8000112.4G486 V487 Y491 N516 Y542 Y546G486-L511 PolarHBondContact O-N 2.8Å; V487-L511 HydrophobicContact CG2-CD2 3.77Å; V487-L511 HydrophobicContact CG2-CG 4.49Å; Y491-L511 PolarHBondContact OH-O 3.05Å; L511-N516 PolarHBondContact O-ND2 3.2Å; L511-Y542 HydrophobicContact CD2-CD2 3.76Å; L511-Y542 HydrophobicContact CD2-CG 3.78Å; L511-Y546 HydrophobicContact CB-CD1 3.96Å; L511-Y546 HydrophobicContact CB-CE1 3.64Å; L511-Y546 WeakPolarHBondContact O-CD1 3.21Å
512M85.6Confident71.8Confident76 Ų7689.6 Ų89.637%0.37449%0.485SS..  trans-92.6131.4178.6-69.7-62.8178.700111.4E510 N516 C521 Y546E510-M512 PolarHBondContact O-N 3.08Å; M512-N516 WeakPolarHBondContact CA-OD1 3.38Å; M512-C521 HydrophobicContact CE-CB 3.92Å; M512-Y546 HydrophobicContact CE-CD1 4.39Å; M512-Y546 HydrophobicContact CE-CE1 3.54Å; M512-Y546 HydrophobicContact SD-CD1 4.37Å; M512-Y546 HydrophobicContact SD-CE1 3.95Å
513N85.1Confident73.1Confident57 Ų5785.6 Ų85.631%0.30547%0.467SS..  trans-140.4167.2176.1-169.712.8000110.5Y491 C515 N516 K517Y491-N513 WeakPolarHBondContact CB-ND2 3.3Å; Y491-N513 HydrophobicContact CD1-CB 4.43Å; Y491-N513 HydrophobicContact CD2-CB 3.55Å; Y491-N513 HydrophobicContact CE2-CB 3.76Å; Y491-N513 HydrophobicContact CG-CB 3.93Å; Y491-N513 VanDerWaalsContact CG-ND2 3.32Å; N513-C515 PolarHBondContact O-N 2.99Å; N513-N516 PolarHBondContact N-OD1 2.96Å; N513-N516 PolarHBondContact O-N 3.31Å; N513-N516 PolarHBondContact O-OD1 3.45Å; N513-K517 WeakPolarHBondContact O-CG 3.5Å; N513-K517 PolarHBondContact O-N 3.44Å
514S86.1Confident74.2Confident84 Ų8482.1 Ų82.159%0.58744%0.438SS*.THydrogen-bonded Turntrans-45.1-36177.955.70000115
515C86.1Confident75.9Confident27 Ų2777 Ų7718%0.18241%0.405CS..THydrogen-bonded Turntrans-73.9-28.9-178.460.70000114.9N513 S564 C565N513-C515 PolarHBondContact O-N 2.99Å; C515-S564 PolarHBondContact O-OG 2.79Å; C515-C565 VanDerWaalsContact C-SG 3.54Å; C515-C565 HydrophobicContact CB-CB 3.88Å; C515-C565 WeakPolarHBondContact CB-SG 3.4Å; C515-C565 WeakPolarHBondContact SG-CA 3.09Å; C515-C565 WeakPolarHBondContact SG-CB 3.33Å; C515-C565 CovalentContact SG-SG 2.02Å; C515-C565 PolarHBondContact SG-SG 2.97Å
516N87.9Confident77.6Confident0 Ų068.7 Ų68.70%037%0.372CS..THydrogen-bonded Turntrans-111.93-178.764.613.7000113.4Y491 L511 M512 N513 Q518 C519 Y546Y491-N516 PolarHBondContact OH-ND2 3.44Å; L511-N516 PolarHBondContact O-ND2 3.2Å; M512-N516 WeakPolarHBondContact CA-OD1 3.38Å; N513-N516 PolarHBondContact N-OD1 2.96Å; N513-N516 PolarHBondContact O-N 3.31Å; N513-N516 PolarHBondContact O-OD1 3.45Å; N516-Q518 PolarHBondContact O-N 2.93Å; N516-C519 WeakPolarHBondContact O-CB 3.09Å; N516-C519 PolarHBondContact O-N 3.09Å; N516-Y546 PolarHBondContact ND2-O 3.25Å
517K84.5Confident79.5Confident158 Ų15864.1 Ų64.169%0.68734%0.336SS*.THydrogen-bonded Turntrans-56-23173.7-86.5178.7-168-1760114.3N513N513-K517 WeakPolarHBondContact O-CG 3.5Å; N513-K517 PolarHBondContact O-N 3.44Å
518Q81.4Confident80.9Confident157 Ų15758 Ų5873%0.73431%0.31SS*.THydrogen-bonded Turntrans-81.3-4.9177.9-64.7177-34.600112.7N516N516-Q518 PolarHBondContact O-N 2.93Å
519C82.2Confident82Confident13 Ų1351.4 Ų51.49%0.08827%0.274CS..SBendtrans-107.5140-177.6-50.50000111.3C151 N516 C521 C545C151-C519 HydrophobicContact CB-CB 3.98Å; C151-C519 WeakPolarHBondContact CB-SG 2.92Å; C151-C519 WeakPolarHBondContact SG-CB 2.94Å; C151-C519 CovalentContact SG-SG 2.02Å; C151-C519 PolarHBondContact SG-SG 3.01Å; N516-C519 WeakPolarHBondContact O-CB 3.09Å; N516-C519 PolarHBondContact O-N 3.09Å; C519-C521 VanDerWaalsContact CB-SG 3.6Å; C519-C521 PolarHBondContact O-N 3.3Å; C519-C545 VanDerWaalsContact CB-SG 3.57Å
520T82.5Confident82.8Confident96 Ų9649.4 Ų49.459%0.58926%0.261SS*.  trans-9075.9171.643.40000109.8G149G149-T520 VanDerWaalsContact CA-O 3.29Å; G149-T520 WeakPolarHBondContact CA-O 3.39Å
521C81.6Confident83.1Confident14 Ų1444.6 Ų44.610%0.09524%0.239CC..  trans-85.7134.2-179.4-44.90000112.5M512 C519 C545 Y546M512-C521 HydrophobicContact CE-CB 3.92Å; C519-C521 VanDerWaalsContact CB-SG 3.6Å; C519-C521 PolarHBondContact O-N 3.3Å; C521-C545 WeakPolarHBondContact CA-SG 3.23Å; C521-C545 HydrophobicContact CB-CB 3.8Å; C521-C545 WeakPolarHBondContact CB-SG 3.34Å; C521-C545 WeakPolarHBondContact SG-CB 3.2Å; C521-C545 PolarHBondContact SG-O 3.42Å; C521-C545 VanDerWaalsContact SG-O 3.4Å; C521-C545 CovalentContact SG-SG 2.04Å; C521-C545 PolarHBondContact SG-SG 3.03Å; C521-Y546 HydrophobicContact CB-CD1 4.11Å; C521-Y546 HydrophobicContact CB-CD2 4.3Å; C521-Y546 HydrophobicContact CB-CE1 3.73Å; C521-Y546 HydrophobicContact CB-CE2 3.94Å; C521-Y546 HydrophobicContact CB-CG 4.38Å
522D77.5Confident83.3Confident57 Ų5745.1 Ų45.131%0.30524%0.241SC..  trans-84.4123.4173-174.2-17.1000110.4S524 E525D522-S524 PolarHBondContact O-N 3.09Å; D522-S524 WeakPolarHBondContact OD1-CB 3.12Å; D522-S524 PolarHBondContact OD1-N 3.35Å; D522-S524 PolarHBondContact OD1-OG 3.17Å; D522-S524 PolarHBondContact OD2-OG 3.42Å; D522-E525 HydrophobicContact CB-CB 4.33Å; D522-E525 PolarHBondContact O-N 3.09Å; D522-E525 VanDerWaalsContact O-N 3.14Å
523P77.1Confident83.4Confident67 Ų6741.6 Ų41.644%0.43522%0.223SC..THydrogen-bonded Turntrans-66.1-15.6176.828.3-35.9000114.1E525 Y542 Y546 S659P523-E525 VanDerWaalsContact C-N 3.33Å; P523-Y542 PolarHBondContact O-OH 2.02Å; P523-Y542 VanDerWaalsContact O-OH 3.1Å; P523-Y546 VanDerWaalsContact CA-OH 3.24Å; P523-Y546 WeakPolarHBondContact CA-OH 3.49Å; P523-S659 PolarHBondContact O-OG 3.16Å
524S72.4Confident83.3Confident11 Ų1143.7 Ų43.78%0.07723%0.234CC..THydrogen-bonded Turntrans-79.6-15.2174.371.70000113.2D522 Y526 S659 S661D522-S524 PolarHBondContact O-N 3.09Å; D522-S524 WeakPolarHBondContact OD1-CB 3.12Å; D522-S524 PolarHBondContact OD1-N 3.35Å; D522-S524 PolarHBondContact OD1-OG 3.17Å; D522-S524 PolarHBondContact OD2-OG 3.42Å; S524-Y526 PolarHBondContact O-N 2.89Å; S524-S659 WeakPolarHBondContact CB-O 3.45Å; S524-S661 PolarHBondContact OG-OG 3.14Å; S524-S661 VanDerWaalsContact OG-OG 3.1Å
525E77.2Confident83Confident21 Ų2145.3 Ų45.310%0.09824%0.237CC..  trans-88.285.7-176.9-163.1-166.5154.300112.3F148 G149 D522 P523 R527 Y542 S543F148-E525 WeakPolarHBondContact CD1-OE1 3.31Å; G149-E525 PolarHBondContact N-OE2 3.2Å; G149-E525 VanDerWaalsContact N-OE2 3.12Å; D522-E525 HydrophobicContact CB-CB 4.33Å; D522-E525 PolarHBondContact O-N 3.09Å; D522-E525 VanDerWaalsContact O-N 3.14Å; P523-E525 VanDerWaalsContact C-N 3.33Å; E525-R527 HydrophobicContact CG-CG 4.46Å; E525-R527 IonicContact OE1-NE 3.65Å; E525-Y542 WeakPolarHBondContact O-CE1 3.38Å; E525-S543 WeakPolarHBondContact O-CB 3.2Å
526Y80.5Confident82.8Confident26 Ų2646.3 Ų46.310%0.10225%0.251CS..  trans-88.6108173.2-175.4-112.7000112.3P271 S524 P528 Y542 L670P271-Y526 HydrophobicContact CB-CD1 4.48Å; P271-Y526 HydrophobicContact CB-CE1 3.87Å; P271-Y526 HydrophobicContact CG-CD1 4.24Å; P271-Y526 HydrophobicContact CG-CE1 3.72Å; S524-Y526 PolarHBondContact O-N 2.89Å; Y526-P528 HydrophobicContact CE1-CG 4.01Å; Y526-P528 HydrophobicContact CE2-CB 4.32Å; Y526-P528 HydrophobicContact CE2-CG 4.39Å; Y526-Y542 HydrophobicContact CD2-CD1 4.11Å; Y526-Y542 AromaticContact CD2-CD2 3.71Å; Y526-Y542 HydrophobicContact CD2-CD2 3.71Å; Y526-Y542 AromaticContact CD2-CE1 3.97Å; Y526-Y542 HydrophobicContact CD2-CE1 3.97Å; Y526-Y542 AromaticContact CD2-CE2 3.52Å; Y526-Y542 HydrophobicContact CD2-CE2 3.52Å; Y526-Y542 HydrophobicContact CD2-CG 4Å; Y526-Y542 AromaticContact CD2-CZ 3.65Å; Y526-Y542 HydrophobicContact CE2-CD2 4.04Å; Y526-Y542 HydrophobicContact CE2-CE2 4.12Å; Y526-Y542 HydrophobicContact CE2-CG 4.5Å; Y526-Y542 HydrophobicContact CG-CE2 4.45Å; Y526-L670 HydrophobicContact CD1-CB 4.4Å; Y526-L670 HydrophobicContact CD1-CD1 4.12Å; Y526-L670 HydrophobicContact CD1-CD2 3.65Å; Y526-L670 HydrophobicContact CD1-CG 4.27Å; Y526-L670 HydrophobicContact CD2-CD1 4.11Å; Y526-L670 HydrophobicContact CE1-CB 4.27Å; Y526-L670 HydrophobicContact CE1-CD2 4.18Å; Y526-L670 HydrophobicContact CG-CD1 3.76Å; Y526-L670 HydrophobicContact CG-CD2 4.12Å; Y526-L670 HydrophobicContact CG-CG 4.41Å
527R81.3Confident82.6Confident31 Ų3151.2 Ų51.212%0.11727%0.27CS..  trans-142.779.1177.2-72-172174-155-1.7109.9Q143 F148 E525 Y542 S543 P544Q143-R527 PolarHBondContact O-NH2 3.35Å; F148-R527 VanDerWaalsContact CE1-NH1 3.34Å; E525-R527 HydrophobicContact CG-CG 4.46Å; E525-R527 IonicContact OE1-NE 3.65Å; R527-Y542 CarbonylContact C-O 3.59Å; R527-Y542 VanDerWaalsContact C-O 3.31Å; R527-Y542 PolarHBondContact N-O 3.33Å; R527-Y542 VanDerWaalsContact N-O 3.09Å; R527-S543 WeakPolarHBondContact O-CA 3.39Å; R527-P544 WeakPolarHBondContact O-CD 3.41Å
528P86.2Confident82.8Confident3 Ų345.6 Ų45.62%0.01925%0.246CC..  trans-63.9147.1-167.825.8-34.2000112.2P271 Y526 T540 Y541 G580 V581P271-P528 VanDerWaalsContact CG-CD 3.43Å; P271-P528 HydrophobicContact CG-CG 3.44Å; P271-P528 VanDerWaalsContact CG-CG 3.44Å; Y526-P528 HydrophobicContact CE1-CG 4.01Å; Y526-P528 HydrophobicContact CE2-CB 4.32Å; Y526-P528 HydrophobicContact CE2-CG 4.39Å; P528-T540 HydrophobicContact CB-CG2 3.71Å; P528-Y541 WeakPolarHBondContact CA-O 3.4Å; P528-G580 CarbonylContact C-O 3.44Å; P528-G580 CarbonylContact O-C 3.49Å; P528-G580 WeakPolarHBondContact O-CA 3.44Å; P528-G580 PolarHBondContact O-N 3.37Å; P528-V581 HydrophobicContact CB-CG1 3.91Å; P528-V581 HydrophobicContact CG-CG1 3.62Å
529V87.5Confident83.1Confident0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans-128.7142.6175.2-63.60000109.6T540 Y541 P544 A547 Y560 V577 K578 G580V529-T540 CarbonylContact O-C 3.41Å; V529-T540 WeakPolarHBondContact O-CA 3.29Å; V529-Y541 PolarHBondContact N-O 3Å; V529-Y541 VanDerWaalsContact N-O 3.16Å; V529-Y541 PolarHBondContact O-N 3.06Å; V529-P544 HydrophobicContact CG1-CB 4.5Å; V529-P544 HydrophobicContact CG1-CG 3.86Å; V529-A547 HydrophobicContact CG2-CB 4.05Å; V529-Y560 HydrophobicContact CG1-CD2 3.92Å; V529-Y560 HydrophobicContact CG1-CE2 3.86Å; V529-V577 HydrophobicContact CB-CB 3.98Å; V529-V577 HydrophobicContact CB-CG2 3.76Å; V529-V577 HydrophobicContact CG1-CG2 4.22Å; V529-V577 HydrophobicContact CG2-CB 4.07Å; V529-V577 HydrophobicContact CG2-CG1 4.48Å; V529-V577 HydrophobicContact CG2-CG2 3.77Å; V529-K578 CarbonylContact C-O 3.59Å; V529-K578 VanDerWaalsContact CA-O 3.26Å; V529-K578 WeakPolarHBondContact CA-O 3.46Å; V529-K578 WeakPolarHBondContact CB-O 3.23Å; V529-G580 CarbonylContact C-O 3.53Å; V529-G580 WeakPolarHBondContact CA-O 3.47Å
530C89.2Confident83.4Confident13 Ų1338.2 Ų38.29%0.08821%0.211CC..EExtended strand (participates in β ladder)trans-104.5126.3-177.81800000110.9V577 K578 G580 C582C530-V577 CarbonylContact O-C 3.6Å; C530-V577 WeakPolarHBondContact O-CA 3.33Å; C530-K578 PolarHBondContact N-O 3.5Å; C530-K578 PolarHBondContact O-N 2.69Å; C530-G580 PolarHBondContact N-O 3.29Å; C530-C582 WeakPolarHBondContact CA-SG 3.48Å; C530-C582 HydrophobicContact CB-CB 3.99Å; C530-C582 WeakPolarHBondContact CB-SG 3.44Å; C530-C582 WeakPolarHBondContact SG-CA 3.4Å; C530-C582 WeakPolarHBondContact SG-CB 3.32Å; C530-C582 CovalentContact SG-SG 2.03Å; C530-C582 PolarHBondContact SG-SG 2.96Å
531A89.4Confident83.8Confident0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-101.9124.5164.700000109.3Q538 F539 Y541 V566 T570 V577A531-Q538 CarbonylContact O-C 3.6Å; A531-Q538 WeakPolarHBondContact O-CA 3.4Å; A531-F539 PolarHBondContact N-O 3.26Å; A531-F539 PolarHBondContact O-N 2.9Å; A531-Y541 HydrophobicContact CB-CD2 4.49Å; A531-Y541 HydrophobicContact CB-CE2 3.84Å; A531-V566 HydrophobicContact CB-CG1 3.85Å; A531-T570 HydrophobicContact CB-CG2 4.46Å; A531-V577 HydrophobicContact CB-CG1 3.94Å
532E88.6Confident84Confident37 Ų3733 Ų3317%0.17318%0.178CC..EExtended strand (participates in β ladder)trans-109.1121.7173.7-170.8-176.7165.200108.5Q538 T570 K571E532-Q538 HydrophobicContact CB-CG 4.35Å; E532-Q538 HydrophobicContact CG-CG 4.04Å; E532-T570 WeakPolarHBondContact O-CA 3.41Å; E532-K571 HydrophobicContact CG-CD 4.16Å; E532-K571 PolarHBondContact O-N 3.1Å; E532-K571 VanDerWaalsContact OE1-CD 3.3Å; E532-K571 WeakPolarHBondContact OE1-CD 3.37Å; E532-K571 IonicContact OE1-NZ 3.07Å; E532-K571 PolarHBondContact OE1-NZ 3.25Å
533L86.6Confident84.4Confident1 Ų130.3 Ų30.31%0.00516%0.164CC..BIsolated β-bridgetrans-81.9161.2177.2-82.671.6000111.1D535 G536 R537 F539 N569L533-D535 PolarHBondContact O-N 3.27Å; L533-G536 PolarHBondContact O-N 2.92Å; L533-R537 HydrophobicContact CB-CB 4.42Å; L533-R537 PolarHBondContact N-O 2.9Å; L533-F539 HydrophobicContact CD1-CD2 3.55Å; L533-F539 HydrophobicContact CD1-CE2 3.68Å; L533-F539 HydrophobicContact CD2-CE2 4.21Å; L533-N569 VanDerWaalsContact CA-O 3.26Å; L533-N569 WeakPolarHBondContact CA-O 3.4Å
534D83.4Confident84.8Confident101 Ų10127.9 Ų27.954%0.5415%0.148SC..THydrogen-bonded Turntrans-57.9-32.2175.9-69.9-42.7000113G536 N569 K571D534-G536 PolarHBondContact O-N 3.3Å; D534-N569 PolarHBondContact N-O 3.48Å; D534-K571 VanDerWaalsContact OD1-CA 3.29Å; D534-K571 WeakPolarHBondContact OD1-CA 3.21Å
535D80.9Confident85.5Confident119 Ų11927.6 Ų27.664%0.63615%0.146SC*.THydrogen-bonded Turntrans-73.6-2.4176.3-57.8-31.7000113.8L533 R537L533-D535 PolarHBondContact O-N 3.27Å; D535-R537 VanDerWaalsContact C-N 3.32Å; D535-R537 PolarHBondContact O-N 3.4Å; D535-R537 IonicContact OD2-CZ 3.72Å; D535-R537 IonicContact OD2-NE 3.69Å; D535-R537 IonicContact OD2-NH2 2.89Å; D535-R537 PolarHBondContact OD2-NH2 3.41Å
536G79.9Confident86.1Confident47 Ų4726.8 Ų26.849%0.48514%0.142SC..SBendtrans83.2-0.5-175.500000115.1L533 D534L533-G536 PolarHBondContact O-N 2.92Å; D534-G536 PolarHBondContact O-N 3.3Å
537R84.6Confident86.4Confident103 Ų10325.6 Ų25.639%0.38914%0.137SC..  trans-67.6143.8170.9-70.3-178.5-73.8157.9-0.4110.4G496 L533 D535G496-R537 PolarHBondContact O-NH1 2.73Å; L533-R537 HydrophobicContact CB-CB 4.42Å; L533-R537 PolarHBondContact N-O 2.9Å; D535-R537 VanDerWaalsContact C-N 3.32Å; D535-R537 PolarHBondContact O-N 3.4Å; D535-R537 IonicContact OD2-CZ 3.72Å; D535-R537 IonicContact OD2-NE 3.69Å; D535-R537 IonicContact OD2-NH2 2.89Å; D535-R537 PolarHBondContact OD2-NH2 3.41Å
538Q87.9Confident86.8Confident40 Ų4024.3 Ų24.319%0.18713%0.133CC..EExtended strand (participates in β ladder)trans-127.6136.2-175.2-74.2179.3-1500110.5A482 A531 E532 C582 E583A482-Q538 HydrophobicContact CB-CB 4Å; A531-Q538 CarbonylContact O-C 3.6Å; A531-Q538 WeakPolarHBondContact O-CA 3.4Å; E532-Q538 HydrophobicContact CB-CG 4.35Å; E532-Q538 HydrophobicContact CG-CG 4.04Å; Q538-C582 HydrophobicContact CB-CB 3.96Å; Q538-C582 HydrophobicContact CG-CB 4.31Å; Q538-E583 PolarHBondContact NE2-O 3.33Å; Q538-E583 PolarHBondContact OE1-O 3.21Å
539F88.5Confident86.8Confident6 Ų624.7 Ų24.73%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-126133.3175.2-64.8-78.5000109.8P483 V485 P492 I498 A531 L533 Y541 C582P483-F539 HydrophobicContact CG-CD1 3.89Å; P483-F539 HydrophobicContact CG-CE1 4.12Å; V485-F539 HydrophobicContact CG2-CB 4.11Å; V485-F539 HydrophobicContact CG2-CD1 4.14Å; P492-F539 HydrophobicContact CB-CZ 4.3Å; I498-F539 HydrophobicContact CD1-CE1 3.84Å; I498-F539 HydrophobicContact CD1-CZ 4.44Å; I498-F539 HydrophobicContact CG1-CE1 3.97Å; I498-F539 HydrophobicContact CG1-CZ 4.26Å; A531-F539 PolarHBondContact N-O 3.26Å; A531-F539 PolarHBondContact O-N 2.9Å; L533-F539 HydrophobicContact CD1-CD2 3.55Å; L533-F539 HydrophobicContact CD1-CE2 3.68Å; L533-F539 HydrophobicContact CD2-CE2 4.21Å; F539-Y541 HydrophobicContact CB-CE2 3.98Å; F539-C582 PolarHBondContact O-SG 3.24Å
540T89.3Confident86.1Confident9 Ų927.9 Ų27.96%0.05516%0.159CC..EExtended strand (participates in β ladder)trans-102.1132.3173-55.30000108.8P483 L484 V485 P528 V529 V581P483-T540 PolarHBondContact O-N 3.07Å; L484-T540 CarbonylContact C-O 3.5Å; L484-T540 WeakPolarHBondContact CA-O 3.49Å; L484-T540 HydrophobicContact CD1-CG2 3.92Å; L484-T540 WeakPolarHBondContact CD1-O 3.4Å; V485-T540 PolarHBondContact N-O 3.08Å; P528-T540 HydrophobicContact CB-CG2 3.71Å; V529-T540 CarbonylContact O-C 3.41Å; V529-T540 WeakPolarHBondContact O-CA 3.29Å; T540-V581 HydrophobicContact CG2-CG1 4.32Å
541Y89.4Confident84.9Confident0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-106.1151.5173.7-63.9-99.1000110V485 Y491 P492 P528 V529 A531 F539 S543 A547 C565 V566V485-Y541 HydrophobicContact CB-CD1 3.89Å; V485-Y541 HydrophobicContact CB-CE1 3.96Å; V485-Y541 HydrophobicContact CB-CG 4.46Å; V485-Y541 HydrophobicContact CG1-CD1 4.03Å; V485-Y541 HydrophobicContact CG1-CE1 3.83Å; V485-Y541 HydrophobicContact CG2-CD1 4.26Å; V485-Y541 HydrophobicContact CG2-CE1 3.98Å; Y491-Y541 HydrophobicContact CD1-CE1 4.06Å; Y491-Y541 HydrophobicContact CE1-CD1 4.05Å; Y491-Y541 AromaticContact CE1-CE1 3.91Å; Y491-Y541 HydrophobicContact CE1-CE1 3.91Å; P492-Y541 WeakPolarHBondContact CG-OH 3.36Å; P528-Y541 WeakPolarHBondContact CA-O 3.4Å; V529-Y541 PolarHBondContact N-O 3Å; V529-Y541 VanDerWaalsContact N-O 3.16Å; V529-Y541 PolarHBondContact O-N 3.06Å; A531-Y541 HydrophobicContact CB-CD2 4.49Å; A531-Y541 HydrophobicContact CB-CE2 3.84Å; F539-Y541 HydrophobicContact CB-CE2 3.98Å; Y541-S543 PolarHBondContact O-N 3.34Å; Y541-A547 HydrophobicContact CD1-CB 4.13Å; Y541-A547 HydrophobicContact CD2-CB 4.48Å; Y541-A547 HydrophobicContact CG-CB 3.94Å; Y541-C565 HydrophobicContact CE1-CB 4.25Å; Y541-C565 PolarHBondContact OH-O 2.91Å; Y541-V566 HydrophobicContact CE2-CG2 3.98Å
542Y87.1Confident83.7Confident2 Ų237.9 Ų37.91%0.00821%0.213CC..SBendtrans-62.8-42.3-174.2-168.4-86.8000113.7V487 L511 P523 E525 Y526 R527 Y546 K656 L670V487-Y542 HydrophobicContact CG2-CD2 4.41Å; L511-Y542 HydrophobicContact CD2-CD2 3.76Å; L511-Y542 HydrophobicContact CD2-CG 3.78Å; P523-Y542 PolarHBondContact O-OH 2.02Å; P523-Y542 VanDerWaalsContact O-OH 3.1Å; E525-Y542 WeakPolarHBondContact O-CE1 3.38Å; Y526-Y542 HydrophobicContact CD2-CD1 4.11Å; Y526-Y542 AromaticContact CD2-CD2 3.71Å; Y526-Y542 HydrophobicContact CD2-CD2 3.71Å; Y526-Y542 AromaticContact CD2-CE1 3.97Å; Y526-Y542 HydrophobicContact CD2-CE1 3.97Å; Y526-Y542 AromaticContact CD2-CE2 3.52Å; Y526-Y542 HydrophobicContact CD2-CE2 3.52Å; Y526-Y542 HydrophobicContact CD2-CG 4Å; Y526-Y542 AromaticContact CD2-CZ 3.65Å; Y526-Y542 HydrophobicContact CE2-CD2 4.04Å; Y526-Y542 HydrophobicContact CE2-CE2 4.12Å; Y526-Y542 HydrophobicContact CE2-CG 4.5Å; Y526-Y542 HydrophobicContact CG-CE2 4.45Å; R527-Y542 CarbonylContact C-O 3.59Å; R527-Y542 VanDerWaalsContact C-O 3.31Å; R527-Y542 PolarHBondContact N-O 3.33Å; R527-Y542 VanDerWaalsContact N-O 3.09Å; Y542-Y546 AromaticContact CD1-CD2 3.53Å; Y542-Y546 HydrophobicContact CD1-CD2 3.53Å; Y542-Y546 AromaticContact CD1-CE2 3.55Å; Y542-Y546 HydrophobicContact CD1-CE2 3.55Å; Y542-Y546 HydrophobicContact CE1-CD2 4.5Å; Y542-Y546 HydrophobicContact CE1-CE2 4.11Å; Y542-Y546 HydrophobicContact CG-CD2 4.04Å; Y542-Y546 HydrophobicContact CG-CE2 4.32Å; Y542-K656 HydrophobicContact CE2-CG 4.48Å; Y542-L670 HydrophobicContact CE2-CD1 4.45Å
543S86.2Confident82.8Confident0 Ų038.7 Ų38.70%022%0.215CC..  trans-151.7166.5175.481.20000110.6E525 R527 Y541 C545 Y546 A547E525-S543 WeakPolarHBondContact O-CB 3.2Å; R527-S543 WeakPolarHBondContact O-CA 3.39Å; Y541-S543 PolarHBondContact O-N 3.34Å; S543-C545 PolarHBondContact O-N 3.44Å; S543-C545 PolarHBondContact OG-N 3.45Å; S543-Y546 PolarHBondContact O-N 3.38Å; S543-Y546 WeakPolarHBondContact OG-CD2 3.02Å; S543-Y546 PolarHBondContact OG-N 2.94Å; S543-A547 PolarHBondContact O-N 3.48Å
544P85.4Confident82Confident15 Ų1540.6 Ų40.610%0.09723%0.228CC..THydrogen-bonded Turntrans-58.4-32.5172.2-19.631.4000112.4R527 V529 A547 G548 C549 Y560R527-P544 WeakPolarHBondContact O-CD 3.41Å; V529-P544 HydrophobicContact CG1-CB 4.5Å; V529-P544 HydrophobicContact CG1-CG 3.86Å; P544-A547 PolarHBondContact O-N 2.98Å; P544-G548 PolarHBondContact O-N 3.43Å; P544-C549 PolarHBondContact O-N 3.34Å; P544-C549 VanDerWaalsContact O-N 3.14Å; P544-C549 PolarHBondContact O-SG 2.87Å; P544-C549 VanDerWaalsContact O-SG 3.41Å; P544-Y560 HydrophobicContact CB-CD1 3.99Å; P544-Y560 HydrophobicContact CB-CD2 4.46Å; P544-Y560 HydrophobicContact CB-CE1 3.89Å; P544-Y560 HydrophobicContact CB-CE2 4.38Å; P544-Y560 HydrophobicContact CB-CG 4.27Å; P544-Y560 HydrophobicContact CG-CD1 4.3Å; P544-Y560 HydrophobicContact CG-CD2 4.3Å; P544-Y560 HydrophobicContact CG-CE1 3.78Å; P544-Y560 HydrophobicContact CG-CE2 3.79Å; P544-Y560 VanDerWaalsContact CG-CZ 3.5Å
545C86.9Confident81.1Confident5 Ų539.3 Ų39.33%0.03423%0.232CC..THydrogen-bonded Turntrans-67.6-45.5176.1-173.40000111.5C151 C519 C521 S543 A547 G548C151-C545 PolarHBondContact SG-O 2.96Å; C519-C545 VanDerWaalsContact CB-SG 3.57Å; C521-C545 WeakPolarHBondContact CA-SG 3.23Å; C521-C545 HydrophobicContact CB-CB 3.8Å; C521-C545 WeakPolarHBondContact CB-SG 3.34Å; C521-C545 WeakPolarHBondContact SG-CB 3.2Å; C521-C545 PolarHBondContact SG-O 3.42Å; C521-C545 VanDerWaalsContact SG-O 3.4Å; C521-C545 CovalentContact SG-SG 2.04Å; C521-C545 PolarHBondContact SG-SG 3.03Å; S543-C545 PolarHBondContact O-N 3.44Å; S543-C545 PolarHBondContact OG-N 3.45Å; C545-A547 PolarHBondContact O-N 3.42Å; C545-G548 WeakPolarHBondContact O-CA 3.47Å; C545-G548 PolarHBondContact O-N 2.93Å
546Y88.3Confident80.2Confident5 Ų538.9 Ų38.92%0.0224%0.238CC..THydrogen-bonded Turntrans-66.8-25.5176-72.1-67.4000112.8Y491 L511 M512 N516 C521 P523 Y542 S543 G548 C565Y491-Y546 PolarHBondContact OH-O 3.5Å; Y491-Y546 VanDerWaalsContact OH-O 3.09Å; L511-Y546 HydrophobicContact CB-CD1 3.96Å; L511-Y546 HydrophobicContact CB-CE1 3.64Å; L511-Y546 WeakPolarHBondContact O-CD1 3.21Å; M512-Y546 HydrophobicContact CE-CD1 4.39Å; M512-Y546 HydrophobicContact CE-CE1 3.54Å; M512-Y546 HydrophobicContact SD-CD1 4.37Å; M512-Y546 HydrophobicContact SD-CE1 3.95Å; N516-Y546 PolarHBondContact ND2-O 3.25Å; C521-Y546 HydrophobicContact CB-CD1 4.11Å; C521-Y546 HydrophobicContact CB-CD2 4.3Å; C521-Y546 HydrophobicContact CB-CE1 3.73Å; C521-Y546 HydrophobicContact CB-CE2 3.94Å; C521-Y546 HydrophobicContact CB-CG 4.38Å; P523-Y546 VanDerWaalsContact CA-OH 3.24Å; P523-Y546 WeakPolarHBondContact CA-OH 3.49Å; Y542-Y546 AromaticContact CD1-CD2 3.53Å; Y542-Y546 HydrophobicContact CD1-CD2 3.53Å; Y542-Y546 AromaticContact CD1-CE2 3.55Å; Y542-Y546 HydrophobicContact CD1-CE2 3.55Å; Y542-Y546 HydrophobicContact CE1-CD2 4.5Å; Y542-Y546 HydrophobicContact CE1-CE2 4.11Å; Y542-Y546 HydrophobicContact CG-CD2 4.04Å; Y542-Y546 HydrophobicContact CG-CE2 4.32Å; S543-Y546 PolarHBondContact O-N 3.38Å; S543-Y546 WeakPolarHBondContact OG-CD2 3.02Å; S543-Y546 PolarHBondContact OG-N 2.94Å; Y546-G548 PolarHBondContact O-N 2.94Å; Y546-C565 PolarHBondContact O-SG 2.73Å; Y546-C565 VanDerWaalsContact O-SG 3.39Å
547A88.8Confident79.7Confident0 Ų041 Ų410%024%0.238CC..THydrogen-bonded Turntrans-76-8.9169.300000113.6V529 Y541 S543 P544 C545 C563 S564 C565 V566V529-A547 HydrophobicContact CG2-CB 4.05Å; Y541-A547 HydrophobicContact CD1-CB 4.13Å; Y541-A547 HydrophobicContact CD2-CB 4.48Å; Y541-A547 HydrophobicContact CG-CB 3.94Å; S543-A547 PolarHBondContact O-N 3.48Å; P544-A547 PolarHBondContact O-N 2.98Å; C545-A547 PolarHBondContact O-N 3.42Å; A547-C563 HydrophobicContact CB-CB 4.49Å; A547-C563 CarbonylContact O-C 3.31Å; A547-C563 WeakPolarHBondContact O-CB 3.37Å; A547-S564 PolarHBondContact O-N 3.41Å; A547-C565 VanDerWaalsContact O-CB 3.29Å; A547-C565 WeakPolarHBondContact O-CB 3.25Å; A547-C565 PolarHBondContact O-N 3.01Å; A547-V566 HydrophobicContact CB-CG2 4.27Å
548G87.9Confident79.2Confident4 Ų440.1 Ų40.14%0.04124%0.237CC..THydrogen-bonded Turntrans7429.2177.100000114.4P544 C545 Y546 C563 S564P544-G548 PolarHBondContact O-N 3.43Å; C545-G548 WeakPolarHBondContact O-CA 3.47Å; C545-G548 PolarHBondContact O-N 2.93Å; Y546-G548 PolarHBondContact O-N 2.94Å; G548-C563 WeakPolarHBondContact O-CA 3.46Å; G548-S564 WeakPolarHBondContact CA-OG 3.31Å; G548-S564 PolarHBondContact O-N 3.28Å; G548-S564 PolarHBondContact O-OG 3.43Å
549C86.3Confident78.9Confident12 Ų1239.6 Ų39.68%0.08123%0.234CC..BIsolated β-bridgetrans-77.2124.6-177.6-50.60000111.9C151 P544 C563C151-C549 WeakPolarHBondContact CB-O 3.38Å; P544-C549 PolarHBondContact O-N 3.34Å; P544-C549 VanDerWaalsContact O-N 3.14Å; P544-C549 PolarHBondContact O-SG 2.87Å; P544-C549 VanDerWaalsContact O-SG 3.41Å; C549-C563 HydrophobicContact CB-CB 4.08Å; C549-C563 WeakPolarHBondContact CB-SG 3.36Å; C549-C563 WeakPolarHBondContact SG-CB 3.33Å; C549-C563 CovalentContact SG-SG 2.04Å; C549-C563 PolarHBondContact SG-SG 3.38Å
550S74.5Confident78.6Confident67 Ų6740.4 Ų40.447%0.46924%0.237SC..  trans-94.7-26.5-178.3-155.20000114.1C151 E562C151-S550 PolarHBondContact O-OG 3.32Å; S550-E562 PolarHBondContact N-O 2.83Å
551E62.2Low78.3Confident92 Ų9241.2 Ų41.243%0.4324%0.242SC..SBendtrans-86.8150.7-178-79.4-161.6153.100114.6T561 E562E551-T561 WeakPolarHBondContact CB-OG1 3.42Å; E551-T561 WeakPolarHBondContact OE2-CB 3.49Å; E551-T561 PolarHBondContact OE2-OG1 3.31Å; E551-E562 HydrophobicContact CG-CB 4.28Å; E551-E562 HydrophobicContact CG-CG 3.87Å
552T64.8Low78.1Confident131 Ų13146.7 Ų46.780%0.80427%0.268SS*.  trans-66.1131177.548.10000112.7S554T552-S554 PolarHBondContact O-N 2.97Å
553Y70.4Confident78.1Confident54 Ų5446.6 Ų46.621%0.21227%0.268CS..  trans-42.8119.6177177-112.4000113.4A555 Y560 K579Y553-A555 HydrophobicContact CD1-CB 4.45Å; Y553-A555 HydrophobicContact CE1-CB 4.19Å; Y553-A555 PolarHBondContact O-N 2.94Å; Y553-Y560 HydrophobicContact CD2-CD1 4.19Å; Y553-Y560 HydrophobicContact CD2-CD2 4.12Å; Y553-Y560 AromaticContact CD2-CE1 3.76Å; Y553-Y560 HydrophobicContact CD2-CE1 3.76Å; Y553-Y560 AromaticContact CD2-CE2 3.68Å; Y553-Y560 HydrophobicContact CD2-CE2 3.68Å; Y553-Y560 HydrophobicContact CD2-CG 4.36Å; Y553-Y560 AromaticContact CD2-CZ 3.47Å; Y553-Y560 VanDerWaalsContact CD2-CZ 3.47Å; Y553-Y560 HydrophobicContact CE2-CE2 4.09Å; Y553-Y560 HydrophobicContact CG-CE1 4.09Å; Y553-K579 HydrophobicContact CE2-CB 4.3Å; Y553-K579 HydrophobicContact CE2-CD 4.08Å
554S68.5Low78.2Confident40 Ų4048.7 Ų48.728%0.2828%0.282SS..BIsolated β-bridgetrans-84101.5175.6-174.70000110.3T552 S556 L557 K558 E559T552-S554 PolarHBondContact O-N 2.97Å; S554-S556 PolarHBondContact O-N 3.36Å; S554-S556 PolarHBondContact OG-OG 3.38Å; S554-L557 PolarHBondContact O-N 3.31Å; S554-K558 WeakPolarHBondContact O-CA 3.44Å; S554-K558 PolarHBondContact O-N 3.48Å; S554-E559 PolarHBondContact N-O 3.45Å; S554-E559 VanDerWaalsContact N-O 3.12Å
555A65.2Low78.4Confident74 Ų7448.4 Ų48.461%0.61228%0.28SS*.THydrogen-bonded Turntrans-62.1-27.8-177.500000113.7Y553Y553-A555 HydrophobicContact CD1-CB 4.45Å; Y553-A555 HydrophobicContact CE1-CB 4.19Å; Y553-A555 PolarHBondContact O-N 2.94Å
556S63.1Low78.5Confident110 Ų11048.4 Ų48.477%0.76928%0.28SS*.THydrogen-bonded Turntrans-75.3-30.6179.153.80000113.1S554S554-S556 PolarHBondContact O-N 3.36Å; S554-S556 PolarHBondContact OG-OG 3.38Å
557L67.4Low78.4Confident91 Ų9148.3 Ų48.348%0.47628%0.28SS..THydrogen-bonded Turntrans-104.6-11.6-178.9-65.8171000113.4S554 E559S554-L557 PolarHBondContact O-N 3.31Å; L557-E559 HydrophobicContact CB-CB 4.27Å; L557-E559 HydrophobicContact CB-CG 4.49Å; L557-E559 WeakPolarHBondContact O-CG 3.37Å; L557-E559 PolarHBondContact O-N 3.39Å
558K74.7Confident78.1Confident86 Ų8651.1 Ų51.137%0.37430%0.298SS..THydrogen-bonded Turntrans56.433.3-173.7-60.1-179173.6-175.10113.4S266 S554 K579S266-K558 PolarHBondContact O-NZ 2.91Å; S554-K558 WeakPolarHBondContact O-CA 3.44Å; S554-K558 PolarHBondContact O-N 3.48Å; K558-K579 PolarHBondContact O-N 2.95Å
559E82.5Confident77.8Confident28 Ų2854.6 Ų54.613%0.13132%0.315CS..EExtended strand (participates in β ladder)trans-124.9148.2-172-77.2171.2-179.900111.3S554 L557 I576 V577 K578S554-E559 PolarHBondContact N-O 3.45Å; S554-E559 VanDerWaalsContact N-O 3.12Å; L557-E559 HydrophobicContact CB-CB 4.27Å; L557-E559 HydrophobicContact CB-CG 4.49Å; L557-E559 WeakPolarHBondContact O-CG 3.37Å; L557-E559 PolarHBondContact O-N 3.39Å; E559-I576 HydrophobicContact CB-CG2 3.95Å; E559-I576 HydrophobicContact CG-CG2 3.87Å; E559-V577 WeakPolarHBondContact CA-O 3.48Å; E559-K578 HydrophobicContact CG-CG 3.91Å
560Y82.1Confident77.6Confident24 Ų2454.4 Ų54.49%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-106.9145.5165.7-60.2-93.7000109.2V529 P544 Y553 I576 V577 K579V529-Y560 HydrophobicContact CG1-CD2 3.92Å; V529-Y560 HydrophobicContact CG1-CE2 3.86Å; P544-Y560 HydrophobicContact CB-CD1 3.99Å; P544-Y560 HydrophobicContact CB-CD2 4.46Å; P544-Y560 HydrophobicContact CB-CE1 3.89Å; P544-Y560 HydrophobicContact CB-CE2 4.38Å; P544-Y560 HydrophobicContact CB-CG 4.27Å; P544-Y560 HydrophobicContact CG-CD1 4.3Å; P544-Y560 HydrophobicContact CG-CD2 4.3Å; P544-Y560 HydrophobicContact CG-CE1 3.78Å; P544-Y560 HydrophobicContact CG-CE2 3.79Å; P544-Y560 VanDerWaalsContact CG-CZ 3.5Å; Y553-Y560 HydrophobicContact CD2-CD1 4.19Å; Y553-Y560 HydrophobicContact CD2-CD2 4.12Å; Y553-Y560 AromaticContact CD2-CE1 3.76Å; Y553-Y560 HydrophobicContact CD2-CE1 3.76Å; Y553-Y560 AromaticContact CD2-CE2 3.68Å; Y553-Y560 HydrophobicContact CD2-CE2 3.68Å; Y553-Y560 HydrophobicContact CD2-CG 4.36Å; Y553-Y560 AromaticContact CD2-CZ 3.47Å; Y553-Y560 VanDerWaalsContact CD2-CZ 3.47Å; Y553-Y560 HydrophobicContact CE2-CE2 4.09Å; Y553-Y560 HydrophobicContact CG-CE1 4.09Å; Y560-I576 WeakPolarHBondContact O-CA 3.29Å; Y560-V577 HydrophobicContact CD2-CG2 4.22Å; Y560-V577 HydrophobicContact CG-CG2 4.4Å; Y560-V577 PolarHBondContact N-O 2.87Å; Y560-V577 PolarHBondContact O-N 3.31Å; Y560-V577 VanDerWaalsContact O-N 3.07Å; Y560-K579 HydrophobicContact CE2-CB 4.22Å
561T83.1Confident77.7Confident26 Ų2655.5 Ų55.516%0.1631%0.31CS..  trans-123.6162.2-172.535.40000110.8E551 C563 I576E551-T561 WeakPolarHBondContact CB-OG1 3.42Å; E551-T561 WeakPolarHBondContact OE2-CB 3.49Å; E551-T561 PolarHBondContact OE2-OG1 3.31Å; T561-C563 PolarHBondContact O-N 3.23Å; T561-I576 HydrophobicContact CG2-CD1 3.71Å; T561-I576 HydrophobicContact CG2-CG1 4.01Å
562E84.9Confident78.1Confident115 Ų11557 Ų5754%0.53732%0.321SS..  trans57.245.6178.9-56-161.7151.800114.5S550 E551S550-E562 PolarHBondContact N-O 2.83Å; E551-E562 HydrophobicContact CG-CB 4.28Å; E551-E562 HydrophobicContact CG-CG 3.87Å
563C87.7Confident78.6Confident0 Ų057.6 Ų57.60%031%0.308CS..BIsolated β-bridgetrans-85112178.9-51.90000112.1A547 G548 C549 T561 C565 V566 R575A547-C563 HydrophobicContact CB-CB 4.49Å; A547-C563 CarbonylContact O-C 3.31Å; A547-C563 WeakPolarHBondContact O-CB 3.37Å; G548-C563 WeakPolarHBondContact O-CA 3.46Å; C549-C563 HydrophobicContact CB-CB 4.08Å; C549-C563 WeakPolarHBondContact CB-SG 3.36Å; C549-C563 WeakPolarHBondContact SG-CB 3.33Å; C549-C563 CovalentContact SG-SG 2.04Å; C549-C563 PolarHBondContact SG-SG 3.38Å; T561-C563 PolarHBondContact O-N 3.23Å; C563-C565 PolarHBondContact O-N 2.97Å; C563-V566 HydrophobicContact CB-CB 3.99Å; C563-V566 HydrophobicContact CB-CG2 3.47Å; C563-V566 VanDerWaalsContact CB-CG2 3.47Å; C563-V566 PolarHBondContact O-N 3.43Å; C563-R575 PolarHBondContact N-O 3.4Å; C563-R575 WeakPolarHBondContact O-CD 3.34Å
564S87.9Confident79.1Confident43 Ų4359.2 Ų59.230%0.30133%0.325SS..THydrogen-bonded Turntrans-67.1-30.6-174.165.90000114.3C515 A547 G548 V566C515-S564 PolarHBondContact O-OG 2.79Å; A547-S564 PolarHBondContact O-N 3.41Å; G548-S564 WeakPolarHBondContact CA-OG 3.31Å; G548-S564 PolarHBondContact O-N 3.28Å; G548-S564 PolarHBondContact O-OG 3.43Å; S564-V566 VanDerWaalsContact C-N 3.3Å
565C88.3Confident79.7Confident9 Ų961.6 Ų61.66%0.06133%0.328CS..THydrogen-bonded Turntrans-85-3.7-179.2-64.20000113.7Y491 C515 Y541 Y546 A547 C563Y491-C565 HydrophobicContact CD1-CB 3.84Å; Y491-C565 HydrophobicContact CE1-CB 3.66Å; C515-C565 VanDerWaalsContact C-SG 3.54Å; C515-C565 HydrophobicContact CB-CB 3.88Å; C515-C565 WeakPolarHBondContact CB-SG 3.4Å; C515-C565 WeakPolarHBondContact SG-CA 3.09Å; C515-C565 WeakPolarHBondContact SG-CB 3.33Å; C515-C565 CovalentContact SG-SG 2.02Å; C515-C565 PolarHBondContact SG-SG 2.97Å; Y541-C565 HydrophobicContact CE1-CB 4.25Å; Y541-C565 PolarHBondContact OH-O 2.91Å; Y546-C565 PolarHBondContact O-SG 2.73Å; Y546-C565 VanDerWaalsContact O-SG 3.39Å; A547-C565 VanDerWaalsContact O-CB 3.29Å; A547-C565 WeakPolarHBondContact O-CB 3.25Å; A547-C565 PolarHBondContact O-N 3.01Å; C563-C565 PolarHBondContact O-N 2.97Å
566V89.3Confident80.6Confident5 Ų558.9 Ų58.93%0.0330%0.303CS..SBendtrans-97.7134.6-174.8-177.90000109.2A531 Y541 A547 C563 S564 T570 V577A531-V566 HydrophobicContact CB-CG1 3.85Å; Y541-V566 HydrophobicContact CE2-CG2 3.98Å; A547-V566 HydrophobicContact CB-CG2 4.27Å; C563-V566 HydrophobicContact CB-CB 3.99Å; C563-V566 HydrophobicContact CB-CG2 3.47Å; C563-V566 VanDerWaalsContact CB-CG2 3.47Å; C563-V566 PolarHBondContact O-N 3.43Å; S564-V566 VanDerWaalsContact C-N 3.3Å; V566-T570 HydrophobicContact CG1-CG2 3.66Å; V566-V577 HydrophobicContact CB-CG1 4.45Å; V566-V577 HydrophobicContact CG1-CG1 4.12Å; V566-V577 HydrophobicContact CG2-CG1 3.57Å
567P85.8Confident81.7Confident4 Ų453.6 Ų53.63%0.02627%0.267CS..  trans-57.2155.5175.9-25.334.4000112.7P492 N569P492-P567 HydrophobicContact CB-CG 4.1Å; P492-P567 HydrophobicContact CG-CG 3.87Å; P567-N569 VanDerWaalsContact C-N 3.31Å; P567-N569 PolarHBondContact O-N 3.41Å
568T82.8Confident82.6Confident59 Ų5953.4 Ų53.436%0.36226%0.262SS..SBendtrans-74.8-21-179.7490000113.6T570 P574 R575T568-T570 PolarHBondContact O-N 2.69Å; T568-P574 WeakPolarHBondContact O-CA 3.22Å; T568-P574 WeakPolarHBondContact O-CB 3.39Å; T568-R575 HydrophobicContact CG2-CG 4.46Å
569N82.9Confident82.8Confident77 Ų7750.7 Ų50.741%0.41225%0.25SC..  trans-86.745.1-175-57.7-15.4000112L533 D534 P567L533-N569 VanDerWaalsContact CA-O 3.26Å; L533-N569 WeakPolarHBondContact CA-O 3.4Å; D534-N569 PolarHBondContact N-O 3.48Å; P567-N569 VanDerWaalsContact C-N 3.31Å; P567-N569 PolarHBondContact O-N 3.41Å
570T80.9Confident82.7Confident7 Ų749.5 Ų49.54%0.04325%0.245CC..BIsolated β-bridgetrans-86.7140.9177.141.80000111.2A531 E532 V566 T568 N572 R573 P574 R575A531-T570 HydrophobicContact CB-CG2 4.46Å; E532-T570 WeakPolarHBondContact O-CA 3.41Å; V566-T570 HydrophobicContact CG1-CG2 3.66Å; T568-T570 PolarHBondContact O-N 2.69Å; T570-N572 PolarHBondContact O-N 2.54Å; T570-R573 WeakPolarHBondContact CB-O 3.19Å; T570-R573 PolarHBondContact OG1-O 3.38Å; T570-P574 WeakPolarHBondContact OG1-CA 3.36Å; T570-R575 PolarHBondContact OG1-N 3.44Å
571K76.6Confident82.7Confident91 Ų9150.2 Ų50.240%0.39625%0.252SS..SBendtrans-57.4136179-165.8172.6178.5174.30110.9E532 D534 R573E532-K571 HydrophobicContact CG-CD 4.16Å; E532-K571 PolarHBondContact O-N 3.1Å; E532-K571 VanDerWaalsContact OE1-CD 3.3Å; E532-K571 WeakPolarHBondContact OE1-CD 3.37Å; E532-K571 IonicContact OE1-NZ 3.07Å; E532-K571 PolarHBondContact OE1-NZ 3.25Å; D534-K571 VanDerWaalsContact OD1-CA 3.29Å; D534-K571 WeakPolarHBondContact OD1-CA 3.21Å; K571-R573 VanDerWaalsContact C-N 3.33Å; K571-R573 PolarHBondContact O-N 3.36Å
572N72.1Confident82.7Confident123 Ų12349.3 Ų49.366%0.65825%0.247SC*.SBendtrans76.8-51.1-176.4-50-34000116T570T570-N572 PolarHBondContact O-N 2.54Å
573R75.5Confident82.3Confident144 Ų14448.4 Ų48.454%0.54324%0.243SC..SBendtrans-154.1152.1-178.5-63.9-173.2-171167.24.8111T570 K571 I576T570-R573 WeakPolarHBondContact CB-O 3.19Å; T570-R573 PolarHBondContact OG1-O 3.38Å; K571-R573 VanDerWaalsContact C-N 3.33Å; K571-R573 PolarHBondContact O-N 3.36Å; R573-I576 HydrophobicContact CB-CD1 3.45Å; R573-I576 VanDerWaalsContact CB-CD1 3.45Å; R573-I576 HydrophobicContact CB-CG1 3.85Å; R573-I576 HydrophobicContact CG-CD1 4.02Å
574P79.2Confident81.5Confident88 Ų8849.9 Ų49.957%0.57125%0.252SS*.THydrogen-bonded Turntrans-66.8140-179.427.3-35.3000112.5T568 T570 I576T568-P574 WeakPolarHBondContact O-CA 3.22Å; T568-P574 WeakPolarHBondContact O-CB 3.39Å; T570-P574 WeakPolarHBondContact OG1-CA 3.36Å; P574-I576 VanDerWaalsContact C-N 3.32Å; P574-I576 PolarHBondContact O-N 3.03Å
575R81.8Confident80.7Confident90 Ų9056.5 Ų56.534%0.3428%0.278SS..THydrogen-bonded Turntrans57.836.8173.1-58-176.7174.7177.50.5114.8C563 T568 T570C563-R575 PolarHBondContact N-O 3.4Å; C563-R575 WeakPolarHBondContact O-CD 3.34Å; T568-R575 HydrophobicContact CG2-CG 4.46Å; T570-R575 PolarHBondContact OG1-N 3.44Å
576I83.8Confident79.9Confident16 Ų1657.8 Ų57.88%0.08229%0.287CS..  trans-102.3139.9175-62.7-156000110.8E559 Y560 T561 R573 P574E559-I576 HydrophobicContact CB-CG2 3.95Å; E559-I576 HydrophobicContact CG-CG2 3.87Å; Y560-I576 WeakPolarHBondContact O-CA 3.29Å; T561-I576 HydrophobicContact CG2-CD1 3.71Å; T561-I576 HydrophobicContact CG2-CG1 4.01Å; R573-I576 HydrophobicContact CB-CD1 3.45Å; R573-I576 VanDerWaalsContact CB-CD1 3.45Å; R573-I576 HydrophobicContact CB-CG1 3.85Å; R573-I576 HydrophobicContact CG-CD1 4.02Å; P574-I576 VanDerWaalsContact C-N 3.32Å; P574-I576 PolarHBondContact O-N 3.03Å
577V86.3Confident79.7Confident0 Ų062.5 Ų62.50%032%0.316CS..EExtended strand (participates in β ladder)trans-127.6140.8171.4-58.40000110.9V529 C530 A531 E559 Y560 V566V529-V577 HydrophobicContact CB-CB 3.98Å; V529-V577 HydrophobicContact CB-CG2 3.76Å; V529-V577 HydrophobicContact CG1-CG2 4.22Å; V529-V577 HydrophobicContact CG2-CB 4.07Å; V529-V577 HydrophobicContact CG2-CG1 4.48Å; V529-V577 HydrophobicContact CG2-CG2 3.77Å; C530-V577 CarbonylContact O-C 3.6Å; C530-V577 WeakPolarHBondContact O-CA 3.33Å; A531-V577 HydrophobicContact CB-CG1 3.94Å; E559-V577 WeakPolarHBondContact CA-O 3.48Å; Y560-V577 HydrophobicContact CD2-CG2 4.22Å; Y560-V577 HydrophobicContact CG-CG2 4.4Å; Y560-V577 PolarHBondContact N-O 2.87Å; Y560-V577 PolarHBondContact O-N 3.31Å; Y560-V577 VanDerWaalsContact O-N 3.07Å; V566-V577 HydrophobicContact CB-CG1 4.45Å; V566-V577 HydrophobicContact CG1-CG1 4.12Å; V566-V577 HydrophobicContact CG2-CG1 3.57Å
578K85.6Confident79.9Confident86 Ų8665.7 Ų65.737%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-90144.9174.4-68.7177.7-177.1170.70109.7V529 C530 E559V529-K578 CarbonylContact C-O 3.59Å; V529-K578 VanDerWaalsContact CA-O 3.26Å; V529-K578 WeakPolarHBondContact CA-O 3.46Å; V529-K578 WeakPolarHBondContact CB-O 3.23Å; C530-K578 PolarHBondContact N-O 3.5Å; C530-K578 PolarHBondContact O-N 2.69Å; E559-K578 HydrophobicContact CG-CG 3.91Å
579K79.8Confident80.2Confident29 Ų2963.9 Ų63.913%0.12632%0.318CS..EExtended strand (participates in β ladder)trans-67.1138.8173.4-174.7169.3160.7-164.60110.7L262 K263 V264 S266 Y553 K558 Y560L262-K579 PolarHBondContact O-NZ 3.11Å; K263-K579 PolarHBondContact O-NZ 2.96Å; V264-K579 WeakPolarHBondContact O-CE 3.48Å; V264-K579 PolarHBondContact O-NZ 3.22Å; S266-K579 WeakPolarHBondContact OG-CD 3.04Å; S266-K579 WeakPolarHBondContact OG-CE 3.35Å; S266-K579 VanDerWaalsContact OG-CG 3.24Å; S266-K579 WeakPolarHBondContact OG-CG 3.43Å; S266-K579 PolarHBondContact OG-NZ 3.46Å; Y553-K579 HydrophobicContact CE2-CB 4.3Å; Y553-K579 HydrophobicContact CE2-CD 4.08Å; K558-K579 PolarHBondContact O-N 2.95Å; Y560-K579 HydrophobicContact CE2-CB 4.22Å
580G79.6Confident80.6Confident3 Ų365.4 Ų65.43%0.03133%0.326CS..SBendtrans106172.1-179.900000113.2D270 P528 V529 C530D270-G580 VanDerWaalsContact OD1-CA 3.24Å; D270-G580 WeakPolarHBondContact OD1-CA 3.19Å; P528-G580 CarbonylContact C-O 3.44Å; P528-G580 CarbonylContact O-C 3.49Å; P528-G580 WeakPolarHBondContact O-CA 3.44Å; P528-G580 PolarHBondContact O-N 3.37Å; V529-G580 CarbonylContact C-O 3.53Å; V529-G580 WeakPolarHBondContact CA-O 3.47Å; C530-G580 PolarHBondContact N-O 3.29Å
581V81.9Confident81.1Confident40 Ų4072.1 Ų72.124%0.24235%0.351CS..  trans-74.1150.8170.9-65.50000110.1P528 T540 E583P528-V581 HydrophobicContact CB-CG1 3.91Å; P528-V581 HydrophobicContact CG-CG1 3.62Å; T540-V581 HydrophobicContact CG2-CG1 4.32Å; V581-E583 PolarHBondContact O-N 2.92Å
582C83.4Confident82Confident7 Ų767.8 Ų67.85%0.04733%0.332CS..  trans-62.6130.4175.4-61.80000111.2A482 C530 Q538 F539 P584A482-C582 HydrophobicContact CB-CB 3.67Å; C530-C582 WeakPolarHBondContact CA-SG 3.48Å; C530-C582 HydrophobicContact CB-CB 3.99Å; C530-C582 WeakPolarHBondContact CB-SG 3.44Å; C530-C582 WeakPolarHBondContact SG-CA 3.4Å; C530-C582 WeakPolarHBondContact SG-CB 3.32Å; C530-C582 CovalentContact SG-SG 2.03Å; C530-C582 PolarHBondContact SG-SG 2.96Å; Q538-C582 HydrophobicContact CB-CB 3.96Å; Q538-C582 HydrophobicContact CG-CB 4.31Å; F539-C582 PolarHBondContact O-SG 3.24Å; C582-P584 VanDerWaalsContact O-CD 3.28Å; C582-P584 WeakPolarHBondContact O-CD 3.35Å
583E77.3Confident83Confident96 Ų9663.2 Ų63.245%0.44931%0.307SS..  trans-76.5114174-71.7-172.2161.500109.1T269 R420 Q538 V581T269-E583 HydrophobicContact CG2-CG 4.38Å; R420-E583 IonicContact CZ-OE1 3.45Å; R420-E583 IonicContact NE-OE1 3.59Å; R420-E583 IonicContact NH2-OE1 2.71Å; R420-E583 PolarHBondContact NH2-OE1 2.97Å; Q538-E583 PolarHBondContact NE2-O 3.33Å; Q538-E583 PolarHBondContact OE1-O 3.21Å; V581-E583 PolarHBondContact O-N 2.92Å
584P71.3Confident83.9Confident30 Ų3061 Ų6120%0.19531%0.306CS..  trans-71.2133.517829.2-32.5000110.1S418 C582 C586S418-P584 VanDerWaalsContact CB-CD 3.45Å; S418-P584 VanDerWaalsContact CB-CG 3.43Å; C582-P584 VanDerWaalsContact O-CD 3.28Å; C582-P584 WeakPolarHBondContact O-CD 3.35Å; P584-C586 VanDerWaalsContact C-N 3.31Å; P584-C586 PolarHBondContact O-N 3.22Å
585Q69.6Low84.6Confident183 Ų18359.7 Ų59.786%0.85529%0.293SS*.  trans-75.785.6168.5-67.3-172.41.500109.2
586C73.4Confident85.2Confident36 Ų3655.8 Ų55.824%0.24328%0.279CS..  trans-108.1109.7-171.7-161.10000113.3C479 P584 E588C479-C586 HydrophobicContact CB-CB 3.84Å; C479-C586 WeakPolarHBondContact CB-SG 3.43Å; C479-C586 WeakPolarHBondContact SG-CB 3.29Å; C479-C586 CovalentContact SG-SG 2Å; C479-C586 PolarHBondContact SG-SG 3.3Å; P584-C586 VanDerWaalsContact C-N 3.31Å; P584-C586 PolarHBondContact O-N 3.22Å; C586-E588 VanDerWaalsContact C-N 3.32Å
587T84.6Confident85.7Confident103 Ų10355.7 Ų55.763%0.63228%0.281SS*.SBendtrans-75.8-22.1169.545.30000112.8L589 L590T587-L589 PolarHBondContact O-N 3.18Å; T587-L590 PolarHBondContact O-N 3.45Å
588E88.6Confident86.2Confident71 Ų7157.5 Ų57.533%0.33229%0.292SS..Hα-helixtrans-65.6-22.3-173.6-55.6-46.811800113.9I477 C586 L590 W591 F592I477-E588 HydrophobicContact CG2-CB 3.71Å; I477-E588 WeakPolarHBondContact CG2-O 3.41Å; C586-E588 VanDerWaalsContact C-N 3.32Å; E588-L590 PolarHBondContact O-N 3.04Å; E588-W591 PolarHBondContact O-N 3.38Å; E588-F592 PolarHBondContact O-N 3.14Å
589L90.3Very high86.6Confident21 Ų2153.8 Ų53.811%0.1128%0.277CS..Hα-helixtrans-57.6-37.4174.8179.362.8000112.2F417 V419 L427 T587 L593F417-L589 HydrophobicContact CB-CD1 4.1Å; F417-L589 HydrophobicContact CD1-CB 3.75Å; F417-L589 HydrophobicContact CD1-CD1 3.8Å; F417-L589 HydrophobicContact CD1-CG 4.37Å; F417-L589 HydrophobicContact CD2-CD1 4.05Å; F417-L589 HydrophobicContact CE1-CB 4.26Å; F417-L589 HydrophobicContact CE1-CD1 4.3Å; F417-L589 HydrophobicContact CE2-CD1 4.48Å; F417-L589 HydrophobicContact CG-CB 4.4Å; F417-L589 HydrophobicContact CG-CD1 3.7Å; V419-L589 HydrophobicContact CG1-CD2 3.92Å; L427-L589 HydrophobicContact CD1-CD1 4.2Å; L427-L589 HydrophobicContact CD1-CD2 4.18Å; T587-L589 PolarHBondContact O-N 3.18Å; L589-L593 HydrophobicContact CD1-CD1 4.47Å; L589-L593 HydrophobicContact CD1-CG 4.45Å; L589-L593 HydrophobicContact CG-CD1 4.29Å; L589-L593 VanDerWaalsContact O-CG 3.27Å; L589-L593 WeakPolarHBondContact O-CG 3.4Å; L589-L593 PolarHBondContact O-N 3.5Å
590L90.8Very high87.3Confident110 Ų11052.6 Ų52.658%0.57627%0.272SS*.Hα-helixtrans-67.1-45179.2178.962.8000111.3T587 E588 F592 L593 L594T587-L590 PolarHBondContact O-N 3.45Å; E588-L590 PolarHBondContact O-N 3.04Å; L590-F592 VanDerWaalsContact C-N 3.35Å; L590-L593 PolarHBondContact O-N 3.49Å; L590-L594 HydrophobicContact CG-CD1 4.39Å; L590-L594 WeakPolarHBondContact O-CG 3.5Å; L590-L594 PolarHBondContact O-N 2.94Å
591W92.7Very high88Confident148 Ų14855 Ų5556%0.56128%0.282SS*.Hα-helixtrans-64.1-40.7178-65.9122.8000112I477 E588 L593 L594 L595I477-W591 HydrophobicContact CD1-CB 4.13Å; E588-W591 PolarHBondContact O-N 3.38Å; W591-L593 PolarHBondContact O-N 3.3Å; W591-L594 HydrophobicContact CE3-CD1 3.71Å; W591-L594 HydrophobicContact CZ3-CD1 3.83Å; W591-L594 PolarHBondContact O-N 3.15Å; W591-L595 PolarHBondContact O-N 2.88Å
592F94.2Very high88.7Confident0 Ų053.2 Ų53.20%027%0.271CS..Hα-helixtrans-56-49.7171.8176.6-90.1000111.2Y412 L413 F417 M474 I477 E588 L590 L594 L595 F596Y412-F592 HydrophobicContact CE1-CE2 4.16Å; Y412-F592 HydrophobicContact CE1-CZ 4.32Å; L413-F592 HydrophobicContact CD2-CD1 4.1Å; L413-F592 HydrophobicContact CD2-CE1 3.56Å; L413-F592 HydrophobicContact CD2-CZ 4.16Å; F417-F592 HydrophobicContact CE1-CB 3.91Å; F417-F592 HydrophobicContact CE1-CG 4.3Å; F417-F592 HydrophobicContact CE2-CB 4.3Å; F417-F592 HydrophobicContact CE2-CD1 4Å; F417-F592 AromaticContact CE2-CD2 3.94Å; F417-F592 HydrophobicContact CE2-CD2 3.94Å; F417-F592 HydrophobicContact CE2-CE1 4.37Å; F417-F592 HydrophobicContact CE2-CE2 4.29Å; F417-F592 AromaticContact CE2-CG 3.79Å; F417-F592 HydrophobicContact CE2-CG 3.79Å; F417-F592 HydrophobicContact CE2-CZ 4.49Å; F417-F592 HydrophobicContact CZ-CB 3.45Å; F417-F592 VanDerWaalsContact CZ-CB 3.45Å; F417-F592 HydrophobicContact CZ-CD1 4.01Å; F417-F592 AromaticContact CZ-CD2 3.58Å; F417-F592 HydrophobicContact CZ-CD2 3.58Å; F417-F592 HydrophobicContact CZ-CE2 4.35Å; F417-F592 AromaticContact CZ-CG 3.38Å; F417-F592 HydrophobicContact CZ-CG 3.38Å; M474-F592 HydrophobicContact CE-CE2 4.43Å; M474-F592 HydrophobicContact CE-CZ 4.46Å; M474-F592 HydrophobicContact CG-CE2 4.34Å; M474-F592 HydrophobicContact SD-CE2 4.32Å; I477-F592 HydrophobicContact CB-CB 4.44Å; I477-F592 HydrophobicContact CG2-CB 4.11Å; E588-F592 PolarHBondContact O-N 3.14Å; L590-F592 VanDerWaalsContact C-N 3.35Å; F592-L594 VanDerWaalsContact C-N 3.33Å; F592-L594 PolarHBondContact O-N 3.05Å; F592-L595 PolarHBondContact O-N 3.45Å; F592-F596 HydrophobicContact CD1-CB 4.26Å; F592-F596 HydrophobicContact CE1-CB 3.92Å; F592-F596 HydrophobicContact CE1-CD1 4.01Å; F592-F596 HydrophobicContact CE1-CD2 4.42Å; F592-F596 AromaticContact CE1-CG 3.88Å; F592-F596 HydrophobicContact CE1-CG 3.88Å; F592-F596 HydrophobicContact CZ-CB 4.31Å; F592-F596 HydrophobicContact CZ-CD2 4.27Å; F592-F596 HydrophobicContact CZ-CG 4.17Å; F592-F596 WeakPolarHBondContact O-CB 3.43Å; F592-F596 PolarHBondContact O-N 3.24Å
593L93.4Very high89.1Confident27 Ų2753.8 Ų53.814%0.14127%0.274CS..Hα-helixtrans-63.2-36.7-179.5-69.7171.4000113.1L427 L589 L590 W591 L595 F596 A597L427-L593 HydrophobicContact CB-CD2 4.48Å; L427-L593 HydrophobicContact CD1-CD1 4.27Å; L427-L593 HydrophobicContact CD2-CD1 3.82Å; L589-L593 HydrophobicContact CD1-CD1 4.47Å; L589-L593 HydrophobicContact CD1-CG 4.45Å; L589-L593 HydrophobicContact CG-CD1 4.29Å; L589-L593 VanDerWaalsContact O-CG 3.27Å; L589-L593 WeakPolarHBondContact O-CG 3.4Å; L589-L593 PolarHBondContact O-N 3.5Å; L590-L593 PolarHBondContact O-N 3.49Å; W591-L593 PolarHBondContact O-N 3.3Å; L593-L595 VanDerWaalsContact C-N 3.3Å; L593-L595 PolarHBondContact O-N 3.01Å; L593-F596 PolarHBondContact O-N 3.49Å; L593-A597 PolarHBondContact O-N 3.34Å
594L93.6Very high89.8Confident98 Ų9852.6 Ų52.651%0.51327%0.267SS..Hα-helixtrans-64.7-31.7177.5-74.8173.6000113.1L590 W591 F592 P598L590-L594 HydrophobicContact CG-CD1 4.39Å; L590-L594 WeakPolarHBondContact O-CG 3.5Å; L590-L594 PolarHBondContact O-N 2.94Å; W591-L594 HydrophobicContact CE3-CD1 3.71Å; W591-L594 HydrophobicContact CZ3-CD1 3.83Å; W591-L594 PolarHBondContact O-N 3.15Å; F592-L594 VanDerWaalsContact C-N 3.33Å; F592-L594 PolarHBondContact O-N 3.05Å; L594-P598 WeakPolarHBondContact O-CD 3.33Å; L594-P598 WeakPolarHBondContact O-CG 3.36Å
595L94.8Very high90.8Very high60 Ų6051.1 Ų51.131%0.31426%0.258SS..Hα-helixtrans-88.9-30.5174.6-61.8178.6000112.5F471 M474 I477 W591 F592 L593 P598 L599F471-L595 HydrophobicContact CD1-CD2 4.05Å; F471-L595 HydrophobicContact CE1-CD2 4.41Å; M474-L595 HydrophobicContact CB-CB 3.75Å; M474-L595 HydrophobicContact CB-CD1 4.15Å; I477-L595 HydrophobicContact CD1-CD1 3.68Å; W591-L595 PolarHBondContact O-N 2.88Å; F592-L595 PolarHBondContact O-N 3.45Å; L593-L595 VanDerWaalsContact C-N 3.3Å; L593-L595 PolarHBondContact O-N 3.01Å; L595-P598 VanDerWaalsContact O-CD 3.28Å; L595-P598 WeakPolarHBondContact O-CD 3.29Å; L595-P598 VanDerWaalsContact O-CG 3.3Å; L595-P598 WeakPolarHBondContact O-CG 3.26Å; L595-L599 WeakPolarHBondContact O-CB 3.24Å; L595-L599 PolarHBondContact O-N 3.12Å
596F94.4Very high91.9Very high7 Ų742.5 Ų42.53%0.03122%0.218CC..Hα-helixtrans-69.4-36.7-179.7-175.7-129.8000113.1M409 M432 M474 F592 L593 L599 S600M409-F596 HydrophobicContact CE-CE2 3.6Å; M409-F596 HydrophobicContact CE-CZ 3.64Å; M409-F596 HydrophobicContact CG-CE1 4.48Å; M409-F596 HydrophobicContact CG-CZ 3.91Å; M409-F596 HydrophobicContact SD-CE1 4.41Å; M409-F596 HydrophobicContact SD-CE2 4.05Å; M409-F596 HydrophobicContact SD-CZ 3.69Å; M432-F596 HydrophobicContact CB-CE1 3.78Å; M432-F596 HydrophobicContact CB-CZ 4.17Å; M432-F596 HydrophobicContact CG-CE1 3.82Å; M432-F596 HydrophobicContact CG-CZ 3.68Å; M432-F596 HydrophobicContact SD-CE1 4.06Å; M432-F596 HydrophobicContact SD-CZ 3.55Å; M432-F596 VanDerWaalsContact SD-CZ 3.55Å; M474-F596 HydrophobicContact CE-CD2 3.59Å; M474-F596 HydrophobicContact CE-CE2 4.06Å; M474-F596 HydrophobicContact SD-CB 3.88Å; M474-F596 HydrophobicContact SD-CD2 3.59Å; M474-F596 VanDerWaalsContact SD-CD2 3.59Å; M474-F596 HydrophobicContact SD-CG 4.22Å; F592-F596 HydrophobicContact CD1-CB 4.26Å; F592-F596 HydrophobicContact CE1-CB 3.92Å; F592-F596 HydrophobicContact CE1-CD1 4.01Å; F592-F596 HydrophobicContact CE1-CD2 4.42Å; F592-F596 AromaticContact CE1-CG 3.88Å; F592-F596 HydrophobicContact CE1-CG 3.88Å; F592-F596 HydrophobicContact CZ-CB 4.31Å; F592-F596 HydrophobicContact CZ-CD2 4.27Å; F592-F596 HydrophobicContact CZ-CG 4.17Å; F592-F596 WeakPolarHBondContact O-CB 3.43Å; F592-F596 PolarHBondContact O-N 3.24Å; L593-F596 PolarHBondContact O-N 3.49Å; F596-L599 PolarHBondContact O-N 3.14Å; F596-S600 WeakPolarHBondContact O-CB 3.33Å; F596-S600 PolarHBondContact O-N 3.33Å; F596-S600 PolarHBondContact O-OG 3.36Å
597A95.2Very high92.6Very high15 Ų1542.1 Ų42.112%0.12422%0.218CC..Hα-helixtrans-59.3-54.5176.200000113.5V431 M435 L593 L599 S600 F601V431-A597 HydrophobicContact CG1-CB 3.98Å; M435-A597 HydrophobicContact CG-CB 3.93Å; M435-A597 HydrophobicContact SD-CB 4.19Å; L593-A597 PolarHBondContact O-N 3.34Å; A597-L599 VanDerWaalsContact C-N 3.34Å; A597-L599 PolarHBondContact O-N 3.35Å; A597-S600 PolarHBondContact O-N 3.24Å; A597-F601 PolarHBondContact O-N 3.49Å
598P95.3Very high92.8Very high37 Ų3739.3 Ų39.324%0.2420%0.2CC..Hα-helixtrans-67.8-31.2177.526.7-34.8000112.8F471 L594 L595 F601 C602F471-P598 HydrophobicContact CD1-CG 4.03Å; F471-P598 HydrophobicContact CD2-CB 4.08Å; F471-P598 HydrophobicContact CD2-CG 4.33Å; F471-P598 HydrophobicContact CE1-CB 4.27Å; F471-P598 HydrophobicContact CE1-CG 3.89Å; F471-P598 HydrophobicContact CE2-CB 3.72Å; F471-P598 HydrophobicContact CE2-CG 4.19Å; F471-P598 HydrophobicContact CG-CG 4.26Å; F471-P598 HydrophobicContact CZ-CB 3.83Å; F471-P598 HydrophobicContact CZ-CG 3.98Å; L594-P598 WeakPolarHBondContact O-CD 3.33Å; L594-P598 WeakPolarHBondContact O-CG 3.36Å; L595-P598 VanDerWaalsContact O-CD 3.28Å; L595-P598 WeakPolarHBondContact O-CD 3.29Å; L595-P598 VanDerWaalsContact O-CG 3.3Å; L595-P598 WeakPolarHBondContact O-CG 3.26Å; P598-F601 PolarHBondContact O-N 2.95Å; P598-C602 PolarHBondContact O-N 3.25Å; P598-C602 PolarHBondContact O-SG 2.93Å
599L95Very high92.9Very high9 Ų935.9 Ų35.95%0.04718%0.184CC..Hα-helixtrans-60.5-48.2170.7-176.476.1000111.2S468 F471 M474 L595 F596 A597 F601 C602 T603S468-L599 WeakPolarHBondContact O-CD1 3.35Å; S468-L599 WeakPolarHBondContact OG-CD1 3.34Å; F471-L599 HydrophobicContact CB-CB 3.94Å; F471-L599 HydrophobicContact CB-CD1 3.93Å; M474-L599 HydrophobicContact CE-CD2 3.14Å; M474-L599 HydrophobicContact CG-CD2 4.42Å; M474-L599 HydrophobicContact SD-CB 4.3Å; M474-L599 HydrophobicContact SD-CD2 3.4Å; M474-L599 WeakPolarHBondContact SD-CD2 3.41Å; M474-L599 HydrophobicContact SD-CG 4.45Å; L595-L599 WeakPolarHBondContact O-CB 3.24Å; L595-L599 PolarHBondContact O-N 3.12Å; F596-L599 PolarHBondContact O-N 3.14Å; A597-L599 VanDerWaalsContact C-N 3.34Å; A597-L599 PolarHBondContact O-N 3.35Å; L599-F601 VanDerWaalsContact C-N 3.29Å; L599-F601 PolarHBondContact O-N 3.41Å; L599-C602 PolarHBondContact O-N 3.09Å; L599-T603 HydrophobicContact CD1-CG2 4.47Å; L599-T603 HydrophobicContact CG-CG2 4.33Å; L599-T603 WeakPolarHBondContact O-CG2 3.47Å; L599-T603 PolarHBondContact O-N 3Å; L599-T603 PolarHBondContact O-OG1 3.44Å
600S94Very high92.9Very high4 Ų435.1 Ų35.13%0.02818%0.18CC..Hα-helixtrans-61.8-37.7178.1-59.40000111.7F596 A597 T603 F604F596-S600 WeakPolarHBondContact O-CB 3.33Å; F596-S600 PolarHBondContact O-N 3.33Å; F596-S600 PolarHBondContact O-OG 3.36Å; A597-S600 PolarHBondContact O-N 3.24Å; S600-T603 WeakPolarHBondContact CA-OG1 3.14Å; S600-T603 PolarHBondContact O-OG1 3.31Å; S600-F604 WeakPolarHBondContact O-CD2 3.34Å; S600-F604 PolarHBondContact O-N 2.98Å
601F95.1Very high92.7Very high53 Ų5332.6 Ų32.623%0.23217%0.166CC..Hα-helixtrans-61.9-49.9172.8176.9-85.8000111.8M438 G439 V442 A597 P598 L599 A605M438-F601 HydrophobicContact CB-CD2 4.22Å; M438-F601 HydrophobicContact CB-CE2 4.29Å; G439-F601 VanDerWaalsContact CA-CD2 3.42Å; G439-F601 VanDerWaalsContact CA-CE2 3.41Å; V442-F601 HydrophobicContact CB-CE2 4.12Å; V442-F601 HydrophobicContact CB-CZ 3.97Å; V442-F601 HydrophobicContact CG1-CZ 4Å; V442-F601 HydrophobicContact CG2-CE2 4.12Å; V442-F601 HydrophobicContact CG2-CZ 4.37Å; A597-F601 PolarHBondContact O-N 3.49Å; P598-F601 PolarHBondContact O-N 2.95Å; L599-F601 VanDerWaalsContact C-N 3.29Å; L599-F601 PolarHBondContact O-N 3.41Å; F601-A605 WeakPolarHBondContact O-CB 3.28Å; F601-A605 PolarHBondContact O-N 3.37Å
602C95.4Very high92.3Very high2 Ų226.8 Ų26.81%0.01415%0.149CC..Hα-helixtrans-66.5-43.8-176.2-64.20000112.4L467 P598 L599 F604 A605 I606L467-C602 VanDerWaalsContact CD2-SG 3.52Å; P598-C602 PolarHBondContact O-N 3.25Å; P598-C602 PolarHBondContact O-SG 2.93Å; L599-C602 PolarHBondContact O-N 3.09Å; C602-F604 PolarHBondContact O-N 2.93Å; C602-A605 WeakPolarHBondContact O-CB 3.32Å; C602-A605 PolarHBondContact O-N 3.1Å; C602-I606 WeakPolarHBondContact O-CD1 3.33Å; C602-I606 VanDerWaalsContact O-CG1 3.28Å; C602-I606 WeakPolarHBondContact O-CG1 3.36Å; C602-I606 PolarHBondContact O-N 2.85Å
603T93.1Very high92Very high19 Ų1926.9 Ų26.912%0.11715%0.149CC..Hα-helixtrans-56.2-49.7179.646.20000111.9S468 L599 S600 I606S468-T603 WeakPolarHBondContact OG-CG2 3.44Å; L599-T603 HydrophobicContact CD1-CG2 4.47Å; L599-T603 HydrophobicContact CG-CG2 4.33Å; L599-T603 WeakPolarHBondContact O-CG2 3.47Å; L599-T603 PolarHBondContact O-N 3Å; L599-T603 PolarHBondContact O-OG1 3.44Å; S600-T603 WeakPolarHBondContact CA-OG1 3.14Å; S600-T603 PolarHBondContact O-OG1 3.31Å; T603-I606 PolarHBondContact O-N 2.98Å
604F90.8Very high91.6Very high71 Ų7125.7 Ų25.731%0.31114%0.143SC..Hα-helixtrans-77.7-26.7179-76.1-93.4000113.4V402 A436 C440 S600 C602 I606 A607V402-F604 HydrophobicContact CG1-CE2 4.39Å; V402-F604 HydrophobicContact CG1-CZ 4.18Å; A436-F604 HydrophobicContact CB-CB 4Å; A436-F604 HydrophobicContact CB-CD1 3.97Å; A436-F604 HydrophobicContact CB-CD2 3.31Å; A436-F604 HydrophobicContact CB-CE1 4.26Å; A436-F604 HydrophobicContact CB-CE2 3.64Å; A436-F604 HydrophobicContact CB-CG 3.47Å; A436-F604 VanDerWaalsContact CB-CG 3.47Å; A436-F604 HydrophobicContact CB-CZ 4.11Å; A436-F604 WeakPolarHBondContact O-CB 3.11Å; C440-F604 PolarHBondContact SG-O 3.45Å; C440-F604 VanDerWaalsContact SG-O 3.39Å; S600-F604 WeakPolarHBondContact O-CD2 3.34Å; S600-F604 PolarHBondContact O-N 2.98Å; C602-F604 PolarHBondContact O-N 2.93Å; F604-I606 PolarHBondContact O-N 2.92Å; F604-A607 PolarHBondContact O-N 3.4Å
605A92.8Very high91Very high0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-60.2-30.3171.700000112.8T443 L464 F601 C602 A607 P609T443-A605 WeakPolarHBondContact CG2-O 3.26Å; T443-A605 WeakPolarHBondContact OG1-CB 3.42Å; L464-A605 HydrophobicContact CD1-CB 3.82Å; L464-A605 HydrophobicContact CD2-CB 4.21Å; F601-A605 WeakPolarHBondContact O-CB 3.28Å; F601-A605 PolarHBondContact O-N 3.37Å; C602-A605 WeakPolarHBondContact O-CB 3.32Å; C602-A605 PolarHBondContact O-N 3.1Å; A605-A607 VanDerWaalsContact C-N 3.34Å; A605-A607 PolarHBondContact O-N 3.37Å; A605-P609 WeakPolarHBondContact O-CD 3.45Å
606I93.4Very high90.5Very high1 Ų126 Ų261%0.00514%0.137CC..Hα-helixtrans-65.7-33.7-178.6-69.4154.1000112.7L464 I465 C602 T603 F604 V608 P609 I610L464-I606 HydrophobicContact CB-CD1 4.39Å; L464-I606 HydrophobicContact CB-CG1 3.64Å; L464-I606 HydrophobicContact CD1-CG1 4.45Å; I465-I606 HydrophobicContact CB-CD1 4.28Å; I465-I606 HydrophobicContact CD1-CD1 4.48Å; I465-I606 HydrophobicContact CD1-CG2 4.2Å; I465-I606 HydrophobicContact CG1-CD1 3.36Å; I465-I606 HydrophobicContact CG1-CG1 3.83Å; I465-I606 HydrophobicContact CG1-CG2 4.17Å; C602-I606 WeakPolarHBondContact O-CD1 3.33Å; C602-I606 VanDerWaalsContact O-CG1 3.28Å; C602-I606 WeakPolarHBondContact O-CG1 3.36Å; C602-I606 PolarHBondContact O-N 2.85Å; T603-I606 PolarHBondContact O-N 2.98Å; F604-I606 PolarHBondContact O-N 2.92Å; I606-V608 PolarHBondContact O-N 2.92Å; I606-P609 VanDerWaalsContact O-CD 3.22Å; I606-P609 WeakPolarHBondContact O-CD 3.46Å; I606-P609 VanDerWaalsContact O-CG 3.3Å; I606-P609 WeakPolarHBondContact O-CG 3.4Å; I606-I610 HydrophobicContact CG2-CD1 3.41Å; I606-I610 VanDerWaalsContact CG2-CD1 3.41Å; I606-I610 HydrophobicContact CG2-CG1 4.26Å; I606-I610 WeakPolarHBondContact O-CG1 3.05Å; I606-I610 PolarHBondContact O-N 2.82Å
607A88Confident89.9Confident29 Ų2926.8 Ų26.824%0.2414%0.142CC..Hα-helixtrans-61.9-40.4-173.100000113M395 F604 A605 I610 I611M395-A607 HydrophobicContact CE-CB 4.49Å; F604-A607 PolarHBondContact O-N 3.4Å; A605-A607 VanDerWaalsContact C-N 3.34Å; A605-A607 PolarHBondContact O-N 3.37Å; A607-I610 PolarHBondContact O-N 2.81Å; A607-I611 WeakPolarHBondContact O-CB 3.39Å; A607-I611 VanDerWaalsContact O-CG1 3.24Å; A607-I611 WeakPolarHBondContact O-CG1 3.45Å; A607-I611 PolarHBondContact O-N 2.9Å
608V88.4Confident89.3Confident43 Ų4326.6 Ų26.626%0.26114%0.14SC..Hα-helixtrans-63.5-53.7-175.2179.70000113.5C440 T443 I606 I610 I611 S612C440-V608 HydrophobicContact CB-CG2 4.12Å; T443-V608 HydrophobicContact CG2-CB 4.05Å; T443-V608 HydrophobicContact CG2-CG1 4.47Å; I606-V608 PolarHBondContact O-N 2.92Å; V608-I610 VanDerWaalsContact C-N 3.3Å; V608-I610 PolarHBondContact O-N 3.2Å; V608-I611 PolarHBondContact O-N 2.96Å; V608-S612 WeakPolarHBondContact O-CB 3.42Å; V608-S612 PolarHBondContact O-N 3.46Å
609P90.8Very high88.3Confident0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-64.8-35.5179.524.3-34.5000111.5T443 M457 F460 A461 A605 I606 S612 V613T443-P609 HydrophobicContact CG2-CG 4.18Å; M457-P609 HydrophobicContact CB-CB 4.14Å; F460-P609 HydrophobicContact CD1-CG 4.48Å; A461-P609 HydrophobicContact CB-CB 4.38Å; A461-P609 HydrophobicContact CB-CG 3.97Å; A605-P609 WeakPolarHBondContact O-CD 3.45Å; I606-P609 VanDerWaalsContact O-CD 3.22Å; I606-P609 WeakPolarHBondContact O-CD 3.46Å; I606-P609 VanDerWaalsContact O-CG 3.3Å; I606-P609 WeakPolarHBondContact O-CG 3.4Å; P609-S612 PolarHBondContact O-N 3.34Å; P609-V613 WeakPolarHBondContact O-CG2 3.38Å; P609-V613 PolarHBondContact O-N 3.46Å
610I90.6Very high86.7Confident4 Ų436 Ų362%0.02118%0.179CC..Hα-helixtrans-68.5-46.6179.3-63179.2000111.3I391 M395 A461 I606 A607 V608 S612 V613 I614 L696I391-I610 HydrophobicContact CG2-CG2 3.41Å; I391-I610 VanDerWaalsContact CG2-CG2 3.41Å; M395-I610 HydrophobicContact CG-CB 4.36Å; M395-I610 HydrophobicContact CG-CD1 4.44Å; M395-I610 HydrophobicContact CG-CG2 3.41Å; M395-I610 VanDerWaalsContact CG-CG2 3.41Å; M395-I610 HydrophobicContact SD-CB 3.68Å; M395-I610 HydrophobicContact SD-CD1 3.53Å; M395-I610 VanDerWaalsContact SD-CD1 3.53Å; M395-I610 HydrophobicContact SD-CG1 4.19Å; M395-I610 HydrophobicContact SD-CG2 3.41Å; M395-I610 WeakPolarHBondContact SD-CG2 2.98Å; A461-I610 HydrophobicContact CB-CD1 4.43Å; A461-I610 HydrophobicContact CB-CG1 4.01Å; I606-I610 HydrophobicContact CG2-CD1 3.41Å; I606-I610 VanDerWaalsContact CG2-CD1 3.41Å; I606-I610 HydrophobicContact CG2-CG1 4.26Å; I606-I610 WeakPolarHBondContact O-CG1 3.05Å; I606-I610 PolarHBondContact O-N 2.82Å; A607-I610 PolarHBondContact O-N 2.81Å; V608-I610 VanDerWaalsContact C-N 3.3Å; V608-I610 PolarHBondContact O-N 3.2Å; I610-S612 VanDerWaalsContact C-N 3.27Å; I610-S612 PolarHBondContact O-N 3.43Å; I610-V613 PolarHBondContact O-N 2.82Å; I610-I614 HydrophobicContact CG2-CD1 4.05Å; I610-I614 WeakPolarHBondContact O-CG1 3.13Å; I610-I614 PolarHBondContact O-N 2.92Å; I610-L696 HydrophobicContact CD1-CD1 4Å
611I85.3Confident85.1Confident57 Ų5739.9 Ų39.929%0.29220%0.199SC..Hα-helixtrans-60.2-40174.8-68167.9000110.6A607 V608 V613 I614 L615A607-I611 WeakPolarHBondContact O-CB 3.39Å; A607-I611 VanDerWaalsContact O-CG1 3.24Å; A607-I611 WeakPolarHBondContact O-CG1 3.45Å; A607-I611 PolarHBondContact O-N 2.9Å; V608-I611 PolarHBondContact O-N 2.96Å; I611-V613 PolarHBondContact O-N 2.73Å; I611-I614 PolarHBondContact O-N 3.01Å; I611-L615 HydrophobicContact CG2-CD1 4.17Å; I611-L615 HydrophobicContact CG2-CG 4.45Å; I611-L615 WeakPolarHBondContact O-CG 3.38Å; I611-L615 PolarHBondContact O-N 2.86Å
612S84Confident83.8Confident27 Ų2737.8 Ų37.819%0.18919%0.19CC..Hα-helixtrans-62.8-40.1176.8-175.30000112.8M457 V608 P609 I610 R616M457-S612 WeakPolarHBondContact CE-OG 3.39Å; M457-S612 PolarHBondContact SD-OG 2.99Å; V608-S612 WeakPolarHBondContact O-CB 3.42Å; V608-S612 PolarHBondContact O-N 3.46Å; P609-S612 PolarHBondContact O-N 3.34Å; I610-S612 VanDerWaalsContact C-N 3.27Å; I610-S612 PolarHBondContact O-N 3.43Å; S612-R616 WeakPolarHBondContact O-CG 3.45Å; S612-R616 PolarHBondContact O-N 2.99Å
613V88.4Confident82.7Confident2 Ų241.8 Ų41.81%0.01221%0.205CC..Hα-helixtrans-62.8-47.3173.2172.40000110.3I391 M457 P609 I610 I611 L615 R616 T617I391-V613 HydrophobicContact CD1-CG1 3.78Å; M457-V613 HydrophobicContact CB-CG2 3.87Å; M457-V613 HydrophobicContact CE-CG2 3.8Å; P609-V613 WeakPolarHBondContact O-CG2 3.38Å; P609-V613 PolarHBondContact O-N 3.46Å; I610-V613 PolarHBondContact O-N 2.82Å; I611-V613 PolarHBondContact O-N 2.73Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-L615 PolarHBondContact O-N 3.03Å; V613-R616 WeakPolarHBondContact O-CB 3.27Å; V613-R616 PolarHBondContact O-N 3.45Å; V613-T617 HydrophobicContact CG1-CG2 4.24Å; V613-T617 WeakPolarHBondContact O-CG2 3.43Å; V613-T617 PolarHBondContact O-N 3.38Å; V613-T617 VanDerWaalsContact O-N 3.12Å
614I86.1Confident81.5Confident2 Ų245 Ų451%0.0123%0.228CC..Hα-helixtrans-58.6-43-179.9-70.6169.3000112F388 I391 I610 I611 R616 T617 V618 Q630F388-I614 HydrophobicContact CD2-CG2 3.84Å; F388-I614 HydrophobicContact CE2-CG2 3.76Å; I391-I614 HydrophobicContact CB-CG1 4.43Å; I391-I614 HydrophobicContact CG2-CD1 3.84Å; I391-I614 HydrophobicContact CG2-CG1 3.78Å; I610-I614 HydrophobicContact CG2-CD1 4.05Å; I610-I614 WeakPolarHBondContact O-CG1 3.13Å; I610-I614 PolarHBondContact O-N 2.92Å; I611-I614 PolarHBondContact O-N 3.01Å; I614-R616 PolarHBondContact O-N 3.2Å; I614-T617 PolarHBondContact O-N 3.19Å; I614-T617 PolarHBondContact O-OG1 3.47Å; I614-V618 PolarHBondContact O-N 3.33Å; I614-Q630 VanDerWaalsContact CD1-NE2 3.26Å
615L80.3Confident80.7Confident55 Ų5544.8 Ų44.829%0.28823%0.227SC..Hα-helixtrans-65.3-22.9178.1-70.9175.2000113.2I611 V613 R623 L627I611-L615 HydrophobicContact CG2-CD1 4.17Å; I611-L615 HydrophobicContact CG2-CG 4.45Å; I611-L615 WeakPolarHBondContact O-CG 3.38Å; I611-L615 PolarHBondContact O-N 2.86Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-L615 PolarHBondContact O-N 3.03Å; L615-R623 HydrophobicContact CD2-CB 4.02Å; L615-R623 HydrophobicContact CD2-CG 4.14Å; L615-R623 VanDerWaalsContact O-CZ 3.28Å; L615-R623 PolarHBondContact O-NE 3.32Å; L615-R623 PolarHBondContact O-NH2 3.36Å; L615-L627 HydrophobicContact CD2-CD1 4Å; L615-L627 HydrophobicContact CD2-CD2 4.16Å; L615-L627 HydrophobicContact CD2-CG 4.06Å
616R83.8Confident80Confident108 Ų10844.9 Ų44.941%0.40823%0.228SC..Hα-helixtrans-87-21.4176.2-67.9179.2-174.3-179.64.5113.1L452 S454 M457 S612 V613 I614L452-R616 PolarHBondContact O-NH1 2.7Å; L452-R616 PolarHBondContact O-NH2 2.94Å; S454-R616 VanDerWaalsContact OG-CD 3.27Å; S454-R616 WeakPolarHBondContact OG-CD 3.45Å; M457-R616 VanDerWaalsContact CE-CZ 3.42Å; S612-R616 WeakPolarHBondContact O-CG 3.45Å; S612-R616 PolarHBondContact O-N 2.99Å; V613-R616 WeakPolarHBondContact O-CB 3.27Å; V613-R616 PolarHBondContact O-N 3.45Å; I614-R616 PolarHBondContact O-N 3.2Å
617T82.9Confident79.3Confident25 Ų2546.5 Ų46.515%0.15324%0.236CC..Hα-helixtrans-87.8-4.9179.6600000113.8N385 L387 V613 I614 L707N385-T617 PolarHBondContact ND2-O 3.45Å; L387-T617 HydrophobicContact CD2-CG2 3.35Å; L387-T617 HydrophobicContact CG-CG2 3.97Å; V613-T617 HydrophobicContact CG1-CG2 4.24Å; V613-T617 WeakPolarHBondContact O-CG2 3.43Å; V613-T617 PolarHBondContact O-N 3.38Å; V613-T617 VanDerWaalsContact O-N 3.12Å; I614-T617 PolarHBondContact O-N 3.19Å; I614-T617 PolarHBondContact O-OG1 3.47Å; T617-L707 HydrophobicContact CG2-CD2 4.22Å
618V81.6Confident78.9Confident11 Ų1145.8 Ų45.87%0.06723%0.232CC..SBendtrans-120.8139.4-178.8-179.60000110.3F388 I614 E622 A626F388-V618 HydrophobicContact CD2-CG2 3.96Å; I614-V618 PolarHBondContact O-N 3.33Å; V618-E622 HydrophobicContact CG1-CB 3.68Å; V618-A626 HydrophobicContact CB-CB 4.39Å; V618-A626 HydrophobicContact CG1-CB 3.84Å; V618-A626 HydrophobicContact CG2-CB 4Å
619D73.9Confident78.6Confident106 Ų10644.5 Ų44.557%0.56722%0.224SC*.  trans-54.3142.8177.2-74.8-23.3000112.1N621 E622 R623D619-N621 PolarHBondContact O-N 3.01Å; D619-E622 HydrophobicContact CB-CG 4.44Å; D619-E622 PolarHBondContact O-N 2.86Å; D619-R623 PolarHBondContact O-N 3.03Å
620Y62.1Low78.4Confident137 Ų13744.7 Ų44.754%0.53722%0.224SC..G310 helixtrans-50.6-40-176.2-179.1-97.8000113.3E622Y620-E622 VanDerWaalsContact C-N 3.28Å; Y620-E622 PolarHBondContact O-N 3.26Å
621N59.9Low78.3Confident85 Ų8548.4 Ų48.446%0.45524%0.238SC..G310 helixtrans-70.7-23-178.3-62.2-33.4000113G329 D619G329-N621 CarbonylContact O-C 3.37Å; D619-N621 PolarHBondContact O-N 3.01Å
622E68.3Low78.5Confident10 Ų1047.3 Ų47.35%0.04723%0.232CC..G310 helixtrans-103.2-6.2-174.3-60.5-161110.600114.3R381 I382 V618 D619 Y620 S624 F625 A626R381-E622 IonicContact CZ-OE1 3.59Å; R381-E622 IonicContact CZ-OE2 2.82Å; R381-E622 IonicContact NE-OE1 3.72Å; R381-E622 PolarHBondContact NE-OE1 3.26Å; R381-E622 IonicContact NE-OE2 3.96Å; R381-E622 PolarHBondContact NE-OE2 2.95Å; R381-E622 VanDerWaalsContact NE-OE2 3.07Å; R381-E622 IonicContact NH2-OE1 3.71Å; R381-E622 PolarHBondContact NH2-OE1 3.37Å; R381-E622 IonicContact NH2-OE2 2.65Å; I382-E622 HydrophobicContact CD1-CB 4.5Å; V618-E622 HydrophobicContact CG1-CB 3.68Å; D619-E622 HydrophobicContact CB-CG 4.44Å; D619-E622 PolarHBondContact O-N 2.86Å; Y620-E622 VanDerWaalsContact C-N 3.28Å; Y620-E622 PolarHBondContact O-N 3.26Å; E622-S624 PolarHBondContact O-N 3.49Å; E622-F625 PolarHBondContact O-N 3.47Å; E622-F625 VanDerWaalsContact O-N 3.07Å; E622-A626 PolarHBondContact O-N 3.43Å
623R72.1Confident78.8Confident86 Ų8648.5 Ų48.533%0.32524%0.236SC..Hα-helixtrans-54-49-172.9-74.4175.9177.51750.3113.6L615 D619 F625 A626 L627L615-R623 HydrophobicContact CD2-CB 4.02Å; L615-R623 HydrophobicContact CD2-CG 4.14Å; L615-R623 VanDerWaalsContact O-CZ 3.28Å; L615-R623 PolarHBondContact O-NE 3.32Å; L615-R623 PolarHBondContact O-NH2 3.36Å; D619-R623 PolarHBondContact O-N 3.03Å; R623-F625 VanDerWaalsContact C-N 3.28Å; R623-F625 PolarHBondContact O-N 2.97Å; R623-A626 PolarHBondContact O-N 2.87Å; R623-L627 WeakPolarHBondContact O-CG 3.4Å; R623-L627 PolarHBondContact O-N 2.97Å
624S69.1Low79Confident86 Ų8648.7 Ų48.760%0.60124%0.237SC*.Hα-helixtrans-65.2-34.1-179.1-52.10000112.1E622 G628E622-S624 PolarHBondContact O-N 3.49Å; S624-G628 PolarHBondContact O-N 2.93Å
625F73.4Confident79.4Confident67 Ų6749.2 Ų49.229%0.29424%0.238SC..Hα-helixtrans-73.7-41177.2-170.7-119.3000111.6I375 A378 I379 I382 E622 R623 G628 I629I375-F625 HydrophobicContact CG2-CZ 4.16Å; A378-F625 HydrophobicContact CB-CD1 3.96Å; A378-F625 HydrophobicContact CB-CE1 3.52Å; A378-F625 HydrophobicContact CB-CZ 4.33Å; I379-F625 HydrophobicContact CD1-CZ 4.28Å; I379-F625 HydrophobicContact CG1-CE1 3.84Å; I379-F625 HydrophobicContact CG1-CZ 3.5Å; I382-F625 HydrophobicContact CD1-CB 4.47Å; I382-F625 HydrophobicContact CD1-CD1 3.37Å; I382-F625 HydrophobicContact CD1-CE1 3.97Å; I382-F625 HydrophobicContact CD1-CG 4.31Å; E622-F625 PolarHBondContact O-N 3.47Å; E622-F625 VanDerWaalsContact O-N 3.07Å; R623-F625 VanDerWaalsContact C-N 3.28Å; R623-F625 PolarHBondContact O-N 2.97Å; F625-G628 WeakPolarHBondContact O-CA 3.48Å; F625-G628 PolarHBondContact O-N 3.02Å; F625-G628 VanDerWaalsContact O-N 3.13Å; F625-I629 HydrophobicContact CD1-CD1 4.09Å; F625-I629 HydrophobicContact CE1-CD1 3.62Å; F625-I629 HydrophobicContact CE1-CG1 4.42Å; F625-I629 HydrophobicContact CZ-CD1 4Å; F625-I629 HydrophobicContact CZ-CG1 4.42Å; F625-I629 PolarHBondContact O-N 2.85Å
626A78.4Confident80.1Confident2 Ų250.1 Ų50.12%0.01725%0.246CC..Hα-helixtrans-62-42.8173.700000112.4I382 F388 V618 E622 R623 G628 I629 Q630I382-A626 HydrophobicContact CD1-CB 4.02Å; I382-A626 HydrophobicContact CG2-CB 4.31Å; F388-A626 HydrophobicContact CE2-CB 3.95Å; F388-A626 HydrophobicContact CZ-CB 4.26Å; F388-A626 WeakPolarHBondContact CZ-O 3.3Å; V618-A626 HydrophobicContact CB-CB 4.39Å; V618-A626 HydrophobicContact CG1-CB 3.84Å; V618-A626 HydrophobicContact CG2-CB 4Å; E622-A626 PolarHBondContact O-N 3.43Å; R623-A626 PolarHBondContact O-N 2.87Å; A626-G628 VanDerWaalsContact C-N 3.28Å; A626-G628 PolarHBondContact O-N 2.92Å; A626-I629 PolarHBondContact O-N 2.75Å; A626-Q630 VanDerWaalsContact O-CB 3.31Å; A626-Q630 WeakPolarHBondContact O-CB 3.3Å; A626-Q630 PolarHBondContact O-N 3.36Å
627L78.3Confident80.6Confident34 Ų3448.6 Ų48.618%0.17825%0.246CC..Hα-helixtrans-59.1-39.7172-73176.7000111.7L615 R623 Q630 W631L615-L627 HydrophobicContact CD2-CD1 4Å; L615-L627 HydrophobicContact CD2-CD2 4.16Å; L615-L627 HydrophobicContact CD2-CG 4.06Å; R623-L627 WeakPolarHBondContact O-CG 3.4Å; R623-L627 PolarHBondContact O-N 2.97Å; L627-Q630 WeakPolarHBondContact O-CB 3.26Å; L627-Q630 PolarHBondContact O-N 3.14Å; L627-W631 PolarHBondContact O-N 2.89Å
628G78.5Confident81.1Confident15 Ų1547.4 Ų47.416%0.15524%0.238CC..Hα-helixtrans-60.3-48.4174.800000112.8S624 F625 A626 Q630 W631 I632S624-G628 PolarHBondContact O-N 2.93Å; F625-G628 WeakPolarHBondContact O-CA 3.48Å; F625-G628 PolarHBondContact O-N 3.02Å; F625-G628 VanDerWaalsContact O-N 3.13Å; A626-G628 VanDerWaalsContact C-N 3.28Å; A626-G628 PolarHBondContact O-N 2.92Å; G628-Q630 VanDerWaalsContact C-N 3.34Å; G628-W631 PolarHBondContact O-N 2.84Å; G628-I632 WeakPolarHBondContact O-CG1 3.22Å; G628-I632 PolarHBondContact O-N 3.27Å; G628-I632 VanDerWaalsContact O-N 3.14Å
629I83.5Confident81.7Confident16 Ų1647.4 Ų47.48%0.08224%0.238CC..Hα-helixtrans-63.1-41.2175.6-66.3175000111I379 I382 L383 F388 F625 A626 W631 I632 M633I379-I629 HydrophobicContact CG1-CD1 4.15Å; I382-I629 HydrophobicContact CB-CD1 4.11Å; I382-I629 HydrophobicContact CD1-CD1 3.93Å; I382-I629 HydrophobicContact CG2-CD1 4.05Å; L383-I629 HydrophobicContact CD2-CG2 4.03Å; F388-I629 HydrophobicContact CE1-CG2 4.35Å; F625-I629 HydrophobicContact CD1-CD1 4.09Å; F625-I629 HydrophobicContact CE1-CD1 3.62Å; F625-I629 HydrophobicContact CE1-CG1 4.42Å; F625-I629 HydrophobicContact CZ-CD1 4Å; F625-I629 HydrophobicContact CZ-CG1 4.42Å; F625-I629 PolarHBondContact O-N 2.85Å; A626-I629 PolarHBondContact O-N 2.75Å; I629-W631 PolarHBondContact O-N 3.39Å; I629-I632 PolarHBondContact O-N 3.33Å; I629-M633 PolarHBondContact O-N 3.3Å
630Q86.6Confident82.7Confident3 Ų343.5 Ų43.51%0.01422%0.217CC..Hα-helixtrans-58-49.3177.5-173.9-169-11.500111.1F388 T392 I614 A626 L627 G628 I632 M633 I634F388-Q630 HydrophobicContact CE2-CB 4.34Å; F388-Q630 HydrophobicContact CZ-CB 3.99Å; T392-Q630 HydrophobicContact CG2-CB 4.39Å; T392-Q630 HydrophobicContact CG2-CG 3.83Å; I614-Q630 VanDerWaalsContact CD1-NE2 3.26Å; A626-Q630 VanDerWaalsContact O-CB 3.31Å; A626-Q630 WeakPolarHBondContact O-CB 3.3Å; A626-Q630 PolarHBondContact O-N 3.36Å; L627-Q630 WeakPolarHBondContact O-CB 3.26Å; L627-Q630 PolarHBondContact O-N 3.14Å; G628-Q630 VanDerWaalsContact C-N 3.34Å; Q630-I632 VanDerWaalsContact C-N 3.31Å; Q630-I632 PolarHBondContact O-N 2.04Å; Q630-M633 PolarHBondContact O-N 3.27Å; Q630-I634 HydrophobicContact CG-CD1 3.83Å; Q630-I634 HydrophobicContact CG-CG1 4.44Å; Q630-I634 WeakPolarHBondContact O-CB 3.4Å; Q630-I634 VanDerWaalsContact O-CG1 3.31Å; Q630-I634 WeakPolarHBondContact O-CG1 3.04Å; Q630-I634 PolarHBondContact O-N 3.27Å
631W87.1Confident84.3Confident82 Ų8239.2 Ų39.231%0.31121%0.206SC..Hα-helixtrans-63.8-35.3177.8-81.6110.8000112.9L627 G628 I629 R635L627-W631 PolarHBondContact O-N 2.89Å; G628-W631 PolarHBondContact O-N 2.84Å; I629-W631 PolarHBondContact O-N 3.39Å; W631-R635 WeakPolarHBondContact O-CB 3.32Å; W631-R635 VanDerWaalsContact O-CG 3.27Å; W631-R635 WeakPolarHBondContact O-CG 3.32Å; W631-R635 PolarHBondContact O-N 3.19Å
632I90.4Very high86Confident34 Ų3435.2 Ų35.217%0.17418%0.184CC..Hα-helixtrans-63.7-46.6173.7-68.1166.4000110.2V96 C99 I100 G628 I629 Q630 R635 V636V96-I632 HydrophobicContact CG1-CG2 4.3Å; C99-I632 HydrophobicContact CB-CD1 4.28Å; C99-I632 HydrophobicContact CB-CG1 4.33Å; I100-I632 HydrophobicContact CD1-CD1 4.16Å; I100-I632 HydrophobicContact CG1-CD1 3.93Å; G628-I632 WeakPolarHBondContact O-CG1 3.22Å; G628-I632 PolarHBondContact O-N 3.27Å; G628-I632 VanDerWaalsContact O-N 3.14Å; I629-I632 PolarHBondContact O-N 3.33Å; Q630-I632 VanDerWaalsContact C-N 3.31Å; Q630-I632 PolarHBondContact O-N 2.04Å; I632-R635 PolarHBondContact O-N 3.21Å; I632-V636 HydrophobicContact CG2-CG2 4.35Å; I632-V636 WeakPolarHBondContact O-CB 2.99Å; I632-V636 WeakPolarHBondContact O-CG2 3.24Å; I632-V636 PolarHBondContact O-N 3.19Å
633M90.9Very high87.3Confident52 Ų5234.8 Ų34.826%0.25618%0.183SC..Hα-helixtrans-62.7-46.2177.5-76.1-72.6-178.600112.4L383 M389 T392 I629 Q630 R635 V636 I637L383-M633 HydrophobicContact CD2-CE 3.76Å; M389-M633 HydrophobicContact CE-CE 3.93Å; T392-M633 HydrophobicContact CG2-CB 3.7Å; T392-M633 HydrophobicContact CG2-CG 4.33Å; I629-M633 PolarHBondContact O-N 3.3Å; Q630-M633 PolarHBondContact O-N 3.27Å; M633-R635 VanDerWaalsContact C-N 3.26Å; M633-R635 PolarHBondContact O-N 3.02Å; M633-V636 PolarHBondContact O-N 3.37Å; M633-I637 WeakPolarHBondContact O-CB 3.33Å; M633-I637 PolarHBondContact O-N 3.15Å; M633-I637 HydrophobicContact SD-CD1 4.01Å
634I92.9Very high88.3Confident6 Ų632.9 Ų32.93%0.03118%0.181CC..Iπ-helixtrans-57.8-41.8176.1-72.5171.1000110.5M395 A396 S399 Q630 G638 T639M395-I634 HydrophobicContact CB-CD1 4.14Å; M395-I634 HydrophobicContact CB-CG1 4.36Å; A396-I634 HydrophobicContact CB-CG1 4.44Å; S399-I634 WeakPolarHBondContact OG-CG2 3.38Å; Q630-I634 HydrophobicContact CG-CD1 3.83Å; Q630-I634 HydrophobicContact CG-CG1 4.44Å; Q630-I634 WeakPolarHBondContact O-CB 3.4Å; Q630-I634 VanDerWaalsContact O-CG1 3.31Å; Q630-I634 WeakPolarHBondContact O-CG1 3.04Å; Q630-I634 PolarHBondContact O-N 3.27Å; I634-G638 CarbonylContact O-C 3.53Å; I634-G638 WeakPolarHBondContact O-CA 3.44Å; I634-G638 PolarHBondContact O-N 3.29Å; I634-T639 HydrophobicContact CG2-CG2 4.15Å; I634-T639 PolarHBondContact O-N 3.43Å
635R93.8Very high89.6Confident13 Ų1331 Ų315%0.04916%0.163CC..Iπ-helixtrans-69.7-48.2178.8-72.6179.6-176.1-117.18.6112.6D92 Y95 V96 W631 I632 M633 T639 I640D92-R635 IonicContact OD1-CZ 3.83Å; D92-R635 IonicContact OD1-NE 3.49Å; D92-R635 IonicContact OD1-NH1 3.7Å; D92-R635 PolarHBondContact OD1-NH1 3.13Å; Y95-R635 VanDerWaalsContact CB-NH1 3.27Å; Y95-R635 VanDerWaalsContact CD1-CZ 3.44Å; Y95-R635 VanDerWaalsContact CD2-CZ 3.48Å; Y95-R635 VanDerWaalsContact CE2-NH2 3.27Å; V96-R635 HydrophobicContact CG2-CB 3.9Å; W631-R635 WeakPolarHBondContact O-CB 3.32Å; W631-R635 VanDerWaalsContact O-CG 3.27Å; W631-R635 WeakPolarHBondContact O-CG 3.32Å; W631-R635 PolarHBondContact O-N 3.19Å; I632-R635 PolarHBondContact O-N 3.21Å; M633-R635 VanDerWaalsContact C-N 3.26Å; M633-R635 PolarHBondContact O-N 3.02Å; R635-T639 VanDerWaalsContact CA-OG1 3.23Å; R635-T639 WeakPolarHBondContact CA-OG1 3.24Å; R635-T639 HydrophobicContact CG-CG2 4.48Å; R635-T639 WeakPolarHBondContact CG-OG1 2.95Å; R635-T639 PolarHBondContact O-N 3.47Å; R635-T639 PolarHBondContact O-OG1 3.16Å; R635-I640 VanDerWaalsContact O-CB 3.32Å; R635-I640 WeakPolarHBondContact O-CB 3.17Å; R635-I640 WeakPolarHBondContact O-CG1 3.38Å; R635-I640 PolarHBondContact O-N 3.45Å
636V94.3Very high90.6Very high75 Ų7527.8 Ų27.846%0.45515%0.149SC..Iπ-helixtrans-64.9-45.2-177172.20000112.4V96 I632 M633 P641V96-V636 HydrophobicContact CG1-CG2 4.43Å; V96-V636 HydrophobicContact CG2-CG2 4.39Å; I632-V636 HydrophobicContact CG2-CG2 4.35Å; I632-V636 WeakPolarHBondContact O-CB 2.99Å; I632-V636 WeakPolarHBondContact O-CG2 3.24Å; I632-V636 PolarHBondContact O-N 3.19Å; M633-V636 PolarHBondContact O-N 3.37Å; V636-P641 WeakPolarHBondContact O-CD 3Å
637I94.2Very high91.4Very high76 Ų7627.7 Ų27.739%0.3915%0.149SC..Iπ-helixtrans-88.7-31.1-174.6-60.1171.9000111.3A396 M633 P641A396-I637 HydrophobicContact CB-CB 3.97Å; A396-I637 HydrophobicContact CB-CG2 4Å; M633-I637 WeakPolarHBondContact O-CB 3.33Å; M633-I637 PolarHBondContact O-N 3.15Å; M633-I637 HydrophobicContact SD-CD1 4.01Å; I637-P641 WeakPolarHBondContact O-CG 3.33Å
638G94.6Very high92.1Very high0 Ų032 Ų320%016%0.163CC..Iπ-helixtrans-107.1-72.3-172.300000114A396 I634 I640 P641 A642A396-G638 WeakPolarHBondContact O-CA 3.31Å; I634-G638 CarbonylContact O-C 3.53Å; I634-G638 WeakPolarHBondContact O-CA 3.44Å; I634-G638 PolarHBondContact O-N 3.29Å; G638-I640 PolarHBondContact O-N 3.38Å; G638-P641 WeakPolarHBondContact O-CD 3.15Å; G638-P641 WeakPolarHBondContact O-CG 3.08Å; G638-A642 VanDerWaalsContact O-CB 3.29Å; G638-A642 WeakPolarHBondContact O-CB 3.35Å; G638-A642 PolarHBondContact O-N 3.47Å
639T93.9Very high92.9Very high11 Ų1131.3 Ų31.37%0.06716%0.155CC..Iπ-helixtrans-71.7-32.8-166.774.60000113.6D92 S399 T403 I634 R635 P643D92-T639 PolarHBondContact OD1-OG1 2.85Å; D92-T639 WeakPolarHBondContact OD2-CB 3.33Å; D92-T639 PolarHBondContact OD2-OG1 3.38Å; S399-T639 WeakPolarHBondContact OG-CG2 3.2Å; T403-T639 HydrophobicContact CG2-CG2 4.35Å; I634-T639 HydrophobicContact CG2-CG2 4.15Å; I634-T639 PolarHBondContact O-N 3.43Å; R635-T639 VanDerWaalsContact CA-OG1 3.23Å; R635-T639 WeakPolarHBondContact CA-OG1 3.24Å; R635-T639 HydrophobicContact CG-CG2 4.48Å; R635-T639 WeakPolarHBondContact CG-OG1 2.95Å; R635-T639 PolarHBondContact O-N 3.47Å; R635-T639 PolarHBondContact O-OG1 3.16Å; T639-P643 WeakPolarHBondContact O-CD 3.4Å
640I95.1Very high93.4Very high23 Ų2330.5 Ų30.512%0.11815%0.151CC..THydrogen-bonded Turntrans-62.8-61.1175.4-69.5175.9000109.8Q89 D92 F93 R635 G638 A642Q89-I640 VanDerWaalsContact CG-O 3.23Å; Q89-I640 WeakPolarHBondContact CG-O 3.26Å; Q89-I640 PolarHBondContact NE2-O 3.42Å; D92-I640 HydrophobicContact CB-CD1 4.15Å; D92-I640 HydrophobicContact CB-CG1 3.52Å; F93-I640 HydrophobicContact CD1-CD1 4.05Å; F93-I640 HydrophobicContact CE1-CD1 3.86Å; F93-I640 HydrophobicContact CE1-CG2 4.24Å; F93-I640 HydrophobicContact CZ-CD1 4.5Å; F93-I640 HydrophobicContact CZ-CG2 3.92Å; R635-I640 VanDerWaalsContact O-CB 3.32Å; R635-I640 WeakPolarHBondContact O-CB 3.17Å; R635-I640 WeakPolarHBondContact O-CG1 3.38Å; R635-I640 PolarHBondContact O-N 3.45Å; G638-I640 PolarHBondContact O-N 3.38Å; I640-A642 PolarHBondContact O-N 2.97Å
641P95.6Very high93.6Very high48 Ų4831.1 Ų31.131%0.31215%0.154SC..Hα-helixtrans-64.2-24.9-177.422.8-32.6000114.4L400 V636 I637 G638 V644 L645L400-P641 HydrophobicContact CD1-CG 3.95Å; V636-P641 WeakPolarHBondContact O-CD 3Å; I637-P641 WeakPolarHBondContact O-CG 3.33Å; G638-P641 WeakPolarHBondContact O-CD 3.15Å; G638-P641 WeakPolarHBondContact O-CG 3.08Å; P641-V644 PolarHBondContact O-N 3.26Å; P641-L645 WeakPolarHBondContact O-CB 3.27Å; P641-L645 PolarHBondContact O-N 3.05Å
642A95.6Very high93.8Very high0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-57.2-55.9-172.400000115.3L400 T403 G638 I640 V644 L645 F646L400-A642 HydrophobicContact CG-CB 4.17Å; L400-A642 WeakPolarHBondContact O-CB 3.49Å; T403-A642 HydrophobicContact CG2-CB 4.48Å; G638-A642 VanDerWaalsContact O-CB 3.29Å; G638-A642 WeakPolarHBondContact O-CB 3.35Å; G638-A642 PolarHBondContact O-N 3.47Å; I640-A642 PolarHBondContact O-N 2.97Å; A642-V644 VanDerWaalsContact C-N 3.35Å; A642-V644 PolarHBondContact O-N 2.9Å; A642-L645 PolarHBondContact O-N 3.26Å; A642-F646 WeakPolarHBondContact O-CD2 3.17Å; A642-F646 PolarHBondContact O-N 2.97Å
643P94.8Very high93.9Very high1 Ų128.6 Ų28.61%0.00615%0.15CC..Hα-helixtrans-63.2-33.6-179.5-27.936.2000115G85 V88 F408 T639 G647G85-P643 WeakPolarHBondContact CA-O 3.49Å; V88-P643 HydrophobicContact CB-CB 4.37Å; V88-P643 HydrophobicContact CG1-CB 4.42Å; V88-P643 HydrophobicContact CG1-CG 4.12Å; F408-P643 HydrophobicContact CE2-CB 4.23Å; F408-P643 WeakPolarHBondContact CE2-O 3.45Å; F408-P643 WeakPolarHBondContact CZ-O 2.89Å; T639-P643 WeakPolarHBondContact O-CD 3.4Å; P643-G647 PolarHBondContact O-N 2.85Å
644V94.4Very high93.9Very high47 Ų4726.9 Ų26.929%0.28514%0.143SC..Hα-helixtrans-70-41.8175.4158.50000111.3R86 P641 A642 G647 W648R86-V644 HydrophobicContact CB-CG2 4.31Å; R86-V644 HydrophobicContact CG-CG2 3.44Å; R86-V644 VanDerWaalsContact CG-CG2 3.44Å; P641-V644 PolarHBondContact O-N 3.26Å; A642-V644 VanDerWaalsContact C-N 3.35Å; A642-V644 PolarHBondContact O-N 2.9Å; V644-G647 PolarHBondContact O-N 3.42Å; V644-W648 WeakPolarHBondContact O-CB 3.3Å; V644-W648 PolarHBondContact O-N 2.82Å
645L95.5Very high93.5Very high45 Ų4530 Ų3024%0.23616%0.159CC..Hα-helixtrans-62.5-49.3178.4-176.668.8000111.2L400 P641 A642 G647 W648 M649 F684L400-L645 HydrophobicContact CD2-CD2 4.14Å; P641-L645 WeakPolarHBondContact O-CB 3.27Å; P641-L645 PolarHBondContact O-N 3.05Å; A642-L645 PolarHBondContact O-N 3.26Å; L645-G647 VanDerWaalsContact C-N 3.34Å; L645-G647 PolarHBondContact O-N 3.04Å; L645-W648 WeakPolarHBondContact O-CB 3.37Å; L645-W648 PolarHBondContact O-N 3.47Å; L645-M649 WeakPolarHBondContact O-CG 3.47Å; L645-M649 PolarHBondContact O-N 3.4Å; L645-M649 VanDerWaalsContact O-N 3.08Å; L645-F684 HydrophobicContact CD1-CE1 3.96Å; L645-F684 HydrophobicContact CD1-CZ 4.02Å; L645-F684 HydrophobicContact CD2-CD1 3.82Å; L645-F684 HydrophobicContact CD2-CE1 3.63Å; L645-F684 HydrophobicContact CD2-CZ 4.44Å; L645-F684 HydrophobicContact CG-CE1 4.1Å; L645-F684 HydrophobicContact CG-CZ 4.44Å
646F95.2Very high92.9Very high1 Ų132.6 Ų32.60%0.00417%0.171CC..Hα-helixtrans-68.6-33.6178.3-83.9-108.6000112.2G404 A405 F408 A642 M649 F650 F681G404-F646 VanDerWaalsContact C-CD1 3.48Å; G404-F646 VanDerWaalsContact CA-CD2 3.48Å; G404-F646 WeakPolarHBondContact O-CD1 3.32Å; A405-F646 HydrophobicContact CB-CE1 4.04Å; A405-F646 HydrophobicContact CB-CZ 4.37Å; F408-F646 HydrophobicContact CD2-CB 3.57Å; F408-F646 HydrophobicContact CE2-CB 3.72Å; A642-F646 WeakPolarHBondContact O-CD2 3.17Å; A642-F646 PolarHBondContact O-N 2.97Å; F646-M649 HydrophobicContact CB-SD 4.46Å; F646-M649 HydrophobicContact CD1-CE 4.48Å; F646-M649 HydrophobicContact CD1-SD 4.17Å; F646-M649 HydrophobicContact CD2-SD 4.21Å; F646-M649 HydrophobicContact CE1-CE 4.43Å; F646-M649 HydrophobicContact CE1-SD 4.49Å; F646-M649 HydrophobicContact CG-SD 4.03Å; F646-M649 WeakPolarHBondContact O-CB 3.28Å; F646-M649 PolarHBondContact O-N 3.16Å; F646-F650 WeakPolarHBondContact O-CD2 3.15Å; F646-F650 PolarHBondContact O-N 3.14Å; F646-F681 HydrophobicContact CD1-CD1 4.2Å; F646-F681 AromaticContact CD1-CE1 3.62Å; F646-F681 HydrophobicContact CD1-CE1 3.62Å; F646-F681 HydrophobicContact CD1-CE2 4.06Å; F646-F681 AromaticContact CD1-CZ 3.54Å; F646-F681 HydrophobicContact CD1-CZ 3.54Å; F646-F681 AromaticContact CE1-CD1 3.84Å; F646-F681 HydrophobicContact CE1-CD1 3.84Å; F646-F681 AromaticContact CE1-CE1 3.69Å; F646-F681 HydrophobicContact CE1-CE1 3.69Å; F646-F681 HydrophobicContact CE1-CG 4.35Å; F646-F681 HydrophobicContact CE1-CZ 4.05Å
647G93.9Very high92.3Very high0 Ų033.6 Ų33.60%017%0.167CC..Hα-helixtrans-63.8-41171.400000112.6T81 P643 V644 L645 M649 F650 D651T81-G647 WeakPolarHBondContact CB-O 3Å; P643-G647 PolarHBondContact O-N 2.85Å; V644-G647 PolarHBondContact O-N 3.42Å; L645-G647 VanDerWaalsContact C-N 3.34Å; L645-G647 PolarHBondContact O-N 3.04Å; G647-M649 VanDerWaalsContact C-N 3.31Å; G647-M649 PolarHBondContact O-N 2.92Å; G647-F650 PolarHBondContact O-N 2.92Å; G647-D651 PolarHBondContact O-N 3.21Å; G647-D651 VanDerWaalsContact O-N 3.12Å
648W93.5Very high91.4Very high124 Ų12432.3 Ų32.347%0.4716%0.159SC..Hα-helixtrans-61.9-36.7173.9175.581.6000112.5V644 L645 F650 D651 V652V644-W648 WeakPolarHBondContact O-CB 3.3Å; V644-W648 PolarHBondContact O-N 2.82Å; L645-W648 WeakPolarHBondContact O-CB 3.37Å; L645-W648 PolarHBondContact O-N 3.47Å; W648-F650 VanDerWaalsContact C-N 3.28Å; W648-F650 PolarHBondContact O-N 3.32Å; W648-D651 PolarHBondContact O-N 2.88Å; W648-D651 VanDerWaalsContact O-N 3.09Å; W648-V652 HydrophobicContact CD2-CG2 3.83Å; W648-V652 HydrophobicContact CE3-CG2 4.45Å; W648-V652 HydrophobicContact CG-CG2 4.25Å; W648-V652 HydrophobicContact CH2-CG2 4.19Å; W648-V652 HydrophobicContact CZ2-CG2 3.54Å; W648-V652 WeakPolarHBondContact O-CG2 2.97Å; W648-V652 PolarHBondContact O-N 3.32Å
649M94.9Very high90.1Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-62-34.2176.1-65.9158.570.700112.8L645 F646 G647 S653 L680 F681 F684L645-M649 WeakPolarHBondContact O-CG 3.47Å; L645-M649 PolarHBondContact O-N 3.4Å; L645-M649 VanDerWaalsContact O-N 3.08Å; F646-M649 HydrophobicContact CB-SD 4.46Å; F646-M649 HydrophobicContact CD1-CE 4.48Å; F646-M649 HydrophobicContact CD1-SD 4.17Å; F646-M649 HydrophobicContact CD2-SD 4.21Å; F646-M649 HydrophobicContact CE1-CE 4.43Å; F646-M649 HydrophobicContact CE1-SD 4.49Å; F646-M649 HydrophobicContact CG-SD 4.03Å; F646-M649 WeakPolarHBondContact O-CB 3.28Å; F646-M649 PolarHBondContact O-N 3.16Å; G647-M649 VanDerWaalsContact C-N 3.31Å; G647-M649 PolarHBondContact O-N 2.92Å; M649-S653 WeakPolarHBondContact O-CB 3.25Å; M649-S653 PolarHBondContact O-N 3.23Å; M649-S653 PolarHBondContact O-OG 3.06Å; M649-L680 HydrophobicContact CB-CB 4.44Å; M649-L680 HydrophobicContact CB-CD1 4.06Å; M649-L680 HydrophobicContact CE-CB 3.6Å; M649-L680 WeakPolarHBondContact CE-O 3.25Å; M649-L680 HydrophobicContact CG-CB 4.38Å; M649-L680 HydrophobicContact CG-CD1 4.34Å; M649-F681 HydrophobicContact CB-CE2 4.5Å; M649-F681 HydrophobicContact CE-CB 4.43Å; M649-F681 HydrophobicContact CE-CD2 3.55Å; M649-F681 HydrophobicContact CE-CE2 4.02Å; M649-F681 HydrophobicContact CE-CG 4.14Å; M649-F681 VanDerWaalsContact CE-N 3.33Å; M649-F684 HydrophobicContact CE-CB 4.21Å; M649-F684 HydrophobicContact CE-CD2 3.68Å; M649-F684 HydrophobicContact CE-CE2 4.43Å; M649-F684 HydrophobicContact CE-CG 4.19Å; M649-F684 HydrophobicContact CG-CE2 4.4Å; M649-F684 HydrophobicContact SD-CD2 3.84Å; M649-F684 HydrophobicContact SD-CE2 4.21Å; M649-F684 HydrophobicContact SD-CG 4.23Å
650F93.5Very high88.8Confident0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-68-48.5169.7-81.1-83.2000110.8T81 F408 K411 F646 G647 W648 V652 S653 C654 Y672 L677 F681T81-F650 HydrophobicContact CG2-CB 3.72Å; T81-F650 HydrophobicContact CG2-CD2 3.78Å; T81-F650 HydrophobicContact CG2-CG 3.91Å; T81-F650 VanDerWaalsContact OG1-CB 3.31Å; T81-F650 WeakPolarHBondContact OG1-CB 3.37Å; F408-F650 HydrophobicContact CB-CE2 3.66Å; F408-F650 HydrophobicContact CB-CZ 4.31Å; F408-F650 HydrophobicContact CD1-CE2 4.33Å; F408-F650 HydrophobicContact CG-CE2 4.06Å; K411-F650 HydrophobicContact CB-CZ 4.37Å; K411-F650 HydrophobicContact CD-CD1 4.3Å; K411-F650 HydrophobicContact CD-CE1 4.06Å; K411-F650 HydrophobicContact CD-CE2 4.47Å; K411-F650 HydrophobicContact CD-CZ 4.16Å; K411-F650 HydrophobicContact CG-CE1 3.96Å; K411-F650 HydrophobicContact CG-CZ 4.04Å; F646-F650 WeakPolarHBondContact O-CD2 3.15Å; F646-F650 PolarHBondContact O-N 3.14Å; G647-F650 PolarHBondContact O-N 2.92Å; W648-F650 VanDerWaalsContact C-N 3.28Å; W648-F650 PolarHBondContact O-N 3.32Å; F650-V652 VanDerWaalsContact C-N 3.33Å; F650-V652 PolarHBondContact O-N 3.39Å; F650-S653 WeakPolarHBondContact CA-OG 3.43Å; F650-S653 CarbonylContact O-C 3.58Å; F650-S653 PolarHBondContact O-N 3.44Å; F650-S653 VanDerWaalsContact O-N 3.09Å; F650-S653 PolarHBondContact O-OG 3.47Å; F650-C654 PolarHBondContact O-N 3.44Å; F650-Y672 HydrophobicContact CB-CD1 4.49Å; F650-Y672 HydrophobicContact CB-CE1 3.85Å; F650-Y672 HydrophobicContact CD1-CD1 4.26Å; F650-Y672 HydrophobicContact CD1-CE1 4.04Å; F650-Y672 HydrophobicContact CG-CE1 4.46Å; F650-Y672 WeakPolarHBondContact O-CD1 3.09Å; F650-Y672 WeakPolarHBondContact O-CE1 3.49Å; F650-L677 HydrophobicContact CD1-CD1 4.03Å; F650-L677 HydrophobicContact CD1-CD2 3.82Å; F650-L677 HydrophobicContact CD2-CD1 4.5Å; F650-L677 HydrophobicContact CE1-CD1 4.16Å; F650-L677 HydrophobicContact CE1-CD2 3.5Å; F650-L677 VanDerWaalsContact CE1-CD2 3.5Å; F650-L677 HydrophobicContact CE1-CG 4.45Å; F650-L677 HydrophobicContact CG-CD1 4.22Å; F650-L677 HydrophobicContact CZ-CD1 4.44Å; F650-L677 HydrophobicContact CZ-CD2 4.21Å; F650-F681 HydrophobicContact CD2-CE2 4.49Å; F650-F681 AromaticContact CE2-CE2 3.98Å; F650-F681 HydrophobicContact CE2-CE2 3.98Å; F650-F681 AromaticContact CE2-CZ 3.69Å; F650-F681 HydrophobicContact CE2-CZ 3.69Å; F650-F681 HydrophobicContact CZ-CE2 4.37Å; F650-F681 HydrophobicContact CZ-CZ 4.11Å
651D91.7Very high86.9Confident15 Ų1537 Ų378%0.0819%0.193CC..Hα-helixtrans-62.9-37.8-175.3-64.5-13.8000112.3T81 S82 G647 W648 C654 Y657T81-D651 WeakPolarHBondContact CB-OD1 3.43Å; T81-D651 PolarHBondContact N-OD1 2.99Å; T81-D651 PolarHBondContact OG1-OD1 3.02Å; S82-D651 WeakPolarHBondContact CB-OD2 3.44Å; S82-D651 PolarHBondContact N-OD2 3.48Å; S82-D651 PolarHBondContact OG-OD2 3.46Å; G647-D651 PolarHBondContact O-N 3.21Å; G647-D651 VanDerWaalsContact O-N 3.12Å; W648-D651 PolarHBondContact O-N 2.88Å; W648-D651 VanDerWaalsContact O-N 3.09Å; D651-C654 WeakPolarHBondContact O-CB 3.22Å; D651-C654 PolarHBondContact O-N 3.5Å; D651-Y657 PolarHBondContact O-OH 3.33Å
652V92Very high85.3Confident60 Ų6036 Ų3636%0.36419%0.187SC..Hα-helixtrans-72.5-29.3174.9-176.60000112.7W648 F650 C654 Y676W648-V652 HydrophobicContact CD2-CG2 3.83Å; W648-V652 HydrophobicContact CE3-CG2 4.45Å; W648-V652 HydrophobicContact CG-CG2 4.25Å; W648-V652 HydrophobicContact CH2-CG2 4.19Å; W648-V652 HydrophobicContact CZ2-CG2 3.54Å; W648-V652 WeakPolarHBondContact O-CG2 2.97Å; W648-V652 PolarHBondContact O-N 3.32Å; F650-V652 VanDerWaalsContact C-N 3.33Å; F650-V652 PolarHBondContact O-N 3.39Å; V652-C654 PolarHBondContact O-N 3.37Å; V652-Y676 HydrophobicContact CB-CE1 4.49Å; V652-Y676 HydrophobicContact CG1-CE1 3.81Å
653S92.3Very high83.3Confident3 Ų339.3 Ų39.32%0.02122%0.221CC..THydrogen-bonded Turntrans-78.70.9174.162.80000113.4M649 F650 I655 Y672 S673M649-S653 WeakPolarHBondContact O-CB 3.25Å; M649-S653 PolarHBondContact O-N 3.23Å; M649-S653 PolarHBondContact O-OG 3.06Å; F650-S653 WeakPolarHBondContact CA-OG 3.43Å; F650-S653 CarbonylContact O-C 3.58Å; F650-S653 PolarHBondContact O-N 3.44Å; F650-S653 VanDerWaalsContact O-N 3.09Å; F650-S653 PolarHBondContact O-OG 3.47Å; S653-I655 PolarHBondContact O-N 3.18Å; S653-Y672 CarbonylContact O-C 3.59Å; S653-Y672 WeakPolarHBondContact O-CA 3.11Å; S653-S673 PolarHBondContact O-N 3.37Å
654C89.9Confident81.2Confident17 Ų1744.2 Ų44.212%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-68.8124.1177-170.20000112.3F650 D651 V652 K656 Y657 C669 Y672F650-C654 PolarHBondContact O-N 3.44Å; D651-C654 WeakPolarHBondContact O-CB 3.22Å; D651-C654 PolarHBondContact O-N 3.5Å; V652-C654 PolarHBondContact O-N 3.37Å; C654-K656 VanDerWaalsContact SG-C 3.57Å; C654-K656 PolarHBondContact SG-O 2.92Å; C654-K656 VanDerWaalsContact SG-O 3.42Å; C654-Y657 HydrophobicContact CB-CE1 4.32Å; C654-Y657 HydrophobicContact CB-CE2 3.96Å; C654-C669 WeakPolarHBondContact CA-SG 3.42Å; C654-C669 HydrophobicContact CB-CB 3.8Å; C654-C669 WeakPolarHBondContact CB-SG 3.35Å; C654-C669 WeakPolarHBondContact SG-CB 3.44Å; C654-C669 CovalentContact SG-SG 2.02Å; C654-C669 PolarHBondContact SG-SG 3.13Å; C654-Y672 HydrophobicContact CB-CD1 4.36Å; C654-Y672 HydrophobicContact CB-CE1 4.37Å
655I85.3Confident79.3Confident71 Ų7144.4 Ų44.436%0.36426%0.258SS..EExtended strand (participates in β ladder)trans-86-44.1174.4-59.7172.6000110.1V487 S653 M671V487-I655 HydrophobicContact CG1-CG2 3.95Å; S653-I655 PolarHBondContact O-N 3.18Å; I655-M671 HydrophobicContact CD1-CE 4.26Å; I655-M671 HydrophobicContact CD1-CG 4.38Å; I655-M671 PolarHBondContact N-O 3.24Å
656K81.6Confident77.5Confident68 Ų6846.9 Ų46.930%0.29628%0.28SS..EExtended strand (participates in β ladder)trans-135.3120.1-175.9-171.466.4174.8-175.40111.5Y542 C654 L670 M671Y542-K656 HydrophobicContact CE2-CG 4.48Å; C654-K656 VanDerWaalsContact SG-C 3.57Å; C654-K656 PolarHBondContact SG-O 2.92Å; C654-K656 VanDerWaalsContact SG-O 3.42Å; K656-L670 HydrophobicContact CG-CD1 4.41Å; K656-L670 WeakPolarHBondContact O-CB 3.12Å; K656-L670 PolarHBondContact O-N 3.34Å; K656-M671 PolarHBondContact N-O 3.26Å
657Y81.6Confident76Confident95 Ų9547.3 Ų47.337%0.37328%0.284SS..EExtended strand (participates in β ladder)trans-81.3148.2170.4-69.4-89.7000110.9D651 C654 S659D651-Y657 PolarHBondContact O-OH 3.33Å; C654-Y657 HydrophobicContact CB-CE1 4.32Å; C654-Y657 HydrophobicContact CB-CE2 3.96Å; Y657-S659 PolarHBondContact O-N 3.48Å
658Q74.6Confident75.1Confident49 Ų4947.8 Ų47.823%0.22929%0.289CS..EExtended strand (participates in β ladder)trans-68.5119.7168.6-171.3168.49.100109G667 G668 L670Q658-G667 PolarHBondContact O-N 3.37Å; Q658-G668 VanDerWaalsContact CB-O 3.28Å; Q658-G668 WeakPolarHBondContact CB-O 3.4Å; Q658-G668 PolarHBondContact N-O 3.36Å; Q658-L670 HydrophobicContact CB-CD1 4.18Å; Q658-L670 HydrophobicContact CB-CD2 3.85Å; Q658-L670 HydrophobicContact CB-CG 3.91Å; Q658-L670 HydrophobicContact CG-CD2 4.19Å
659S68Low74.6Confident37 Ų3742.5 Ų42.526%0.25927%0.271SS..EExtended strand (participates in β ladder)trans-87.6130.9172.244.90000109.7P523 S524 Y657P523-S659 PolarHBondContact O-OG 3.16Å; S524-S659 WeakPolarHBondContact CB-O 3.45Å; Y657-S659 PolarHBondContact O-N 3.48Å
660D65.2Low73.9Confident22 Ų2243.6 Ų43.612%0.11828%0.276CS..PPolyproline II helixtrans-73.4151.8165.9-66.2-41.6000109.9K78 C662 G663 S665K78-D660 IonicContact NZ-OD1 2.63Å; K78-D660 PolarHBondContact NZ-OD1 3.32Å; D660-C662 PolarHBondContact O-N 3.25Å; D660-G663 PolarHBondContact O-N 2.95Å; D660-S665 PolarHBondContact OD2-OG 3.49Å
661S56.8Low73.4Confident74 Ų7444.8 Ų44.852%0.51728%0.282SS..THydrogen-bonded Turntrans-56.4-16.2-178.4-45.80000113.6S524S524-S661 PolarHBondContact OG-OG 3.14Å; S524-S661 VanDerWaalsContact OG-OG 3.1Å
662C60.2Low73.2Confident28 Ų2844.6 Ų44.619%0.18928%0.28CS..THydrogen-bonded Turntrans-101.65.7-178.9-49.10000114.2C172 N176 D660 S664C172-C662 WeakPolarHBondContact CA-SG 3.48Å; C172-C662 HydrophobicContact CB-CB 3.55Å; C172-C662 WeakPolarHBondContact CB-SG 3.22Å; C172-C662 VanDerWaalsContact SG-CA 3.52Å; C172-C662 WeakPolarHBondContact SG-CB 3.44Å; C172-C662 CovalentContact SG-SG 2.02Å; C172-C662 PolarHBondContact SG-SG 3.34Å; N176-C662 WeakPolarHBondContact ND2-CB 3.48Å; D660-C662 PolarHBondContact O-N 3.25Å; C662-S664 PolarHBondContact O-N 2.79Å; C662-S664 PolarHBondContact O-OG 3.02Å
663G54.7Low73.1Confident69 Ų6943.6 Ų43.671%0.71128%0.276SS*.SBendtrans63.43.5170.200000117.5D660D660-G663 PolarHBondContact O-N 2.95Å
664S51.3Low73Confident103 Ų10344 Ų4472%0.7228%0.279SS*.SBendtrans-104.5-16.3-166.9-61.50000114.9C662C662-S664 PolarHBondContact O-N 2.79Å; C662-S664 PolarHBondContact O-OG 3.02Å
665S53.3Low73Confident51 Ų5148.7 Ų48.736%0.35730%0.299SS..  trans-132.6126.1176.239.40000111.6D660 G667D660-S665 PolarHBondContact OD2-OG 3.49Å; S665-G667 PolarHBondContact O-N 3.15Å
666S57.1Low73.4Confident98 Ų9850.5 Ų50.569%0.68530%0.302SS*.EExtended strand (participates in β ladder)trans-78.4114.2167.4-60.90000108.6
667G65.1Low74Confident10 Ų1047.3 Ų47.310%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-77-156.9175.500000113.2Q658 S665Q658-G667 PolarHBondContact O-N 3.37Å; S665-G667 PolarHBondContact O-N 3.15Å
668G73.8Confident74.7Confident9 Ų942.8 Ų42.89%0.09327%0.27CS..EExtended strand (participates in β ladder)trans-59.4157.3176.900000113.4Q658Q658-G668 VanDerWaalsContact CB-O 3.28Å; Q658-G668 WeakPolarHBondContact CB-O 3.4Å; Q658-G668 PolarHBondContact N-O 3.36Å
669C84.1Confident75.7Confident14 Ų1443.2 Ų43.210%0.09527%0.274CS..EExtended strand (participates in β ladder)trans-75.9131178-174.60000111.8C654 M671 Y672C654-C669 WeakPolarHBondContact CA-SG 3.42Å; C654-C669 HydrophobicContact CB-CB 3.8Å; C654-C669 WeakPolarHBondContact CB-SG 3.35Å; C654-C669 WeakPolarHBondContact SG-CB 3.44Å; C654-C669 CovalentContact SG-SG 2.02Å; C654-C669 PolarHBondContact SG-SG 3.13Å; C669-M671 PolarHBondContact SG-O 3.29Å; C669-Y672 HydrophobicContact CB-CD1 4.46Å; C669-Y672 HydrophobicContact CB-CE1 3.66Å; C669-Y672 HydrophobicContact CB-CE2 4.05Å; C669-Y672 VanDerWaalsContact CB-CZ 3.45Å; C669-Y672 WeakPolarHBondContact CB-OH 3.26Å; C669-Y672 VanDerWaalsContact SG-CE1 3.53Å
670L79.7Confident77Confident22 Ų2242.5 Ų42.512%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-85.6-43.2179.8-61.8175.5000111.9Y526 Y542 K656 Q658Y526-L670 HydrophobicContact CD1-CB 4.4Å; Y526-L670 HydrophobicContact CD1-CD1 4.12Å; Y526-L670 HydrophobicContact CD1-CD2 3.65Å; Y526-L670 HydrophobicContact CD1-CG 4.27Å; Y526-L670 HydrophobicContact CD2-CD1 4.11Å; Y526-L670 HydrophobicContact CE1-CB 4.27Å; Y526-L670 HydrophobicContact CE1-CD2 4.18Å; Y526-L670 HydrophobicContact CG-CD1 3.76Å; Y526-L670 HydrophobicContact CG-CD2 4.12Å; Y526-L670 HydrophobicContact CG-CG 4.41Å; Y542-L670 HydrophobicContact CE2-CD1 4.45Å; K656-L670 HydrophobicContact CG-CD1 4.41Å; K656-L670 WeakPolarHBondContact O-CB 3.12Å; K656-L670 PolarHBondContact O-N 3.34Å; Q658-L670 HydrophobicContact CB-CD1 4.18Å; Q658-L670 HydrophobicContact CB-CD2 3.85Å; Q658-L670 HydrophobicContact CB-CG 3.91Å; Q658-L670 HydrophobicContact CG-CD2 4.19Å
671M83.4Confident78.5Confident25 Ų2541.5 Ų41.512%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-138.1135.6-174.1-173.6178.7176.500111.2L484 D488 I655 K656 C669L484-M671 HydrophobicContact CB-CE 4.14Å; L484-M671 HydrophobicContact CB-SD 3.78Å; L484-M671 HydrophobicContact CD2-SD 3.56Å; L484-M671 VanDerWaalsContact CD2-SD 3.56Å; L484-M671 HydrophobicContact CG-SD 4.32Å; D488-M671 HydrophobicContact CB-CE 4.29Å; I655-M671 HydrophobicContact CD1-CE 4.26Å; I655-M671 HydrophobicContact CD1-CG 4.38Å; I655-M671 PolarHBondContact N-O 3.24Å; K656-M671 PolarHBondContact N-O 3.26Å; C669-M671 PolarHBondContact SG-O 3.29Å
672Y87.3Confident80.3Confident11 Ų1139 Ų394%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-114.7151.4-179.8-60.8-88.8000110.8T81 K411 R415 F650 S653 C654 C669 N674T81-Y672 PolarHBondContact OG1-OH 3.24Å; K411-Y672 PolarHBondContact NZ-OH 3.12Å; R415-Y672 HydrophobicContact CG-CD2 4.28Å; F650-Y672 HydrophobicContact CB-CD1 4.49Å; F650-Y672 HydrophobicContact CB-CE1 3.85Å; F650-Y672 HydrophobicContact CD1-CD1 4.26Å; F650-Y672 HydrophobicContact CD1-CE1 4.04Å; F650-Y672 HydrophobicContact CG-CE1 4.46Å; F650-Y672 WeakPolarHBondContact O-CD1 3.09Å; F650-Y672 WeakPolarHBondContact O-CE1 3.49Å; S653-Y672 CarbonylContact O-C 3.59Å; S653-Y672 WeakPolarHBondContact O-CA 3.11Å; C654-Y672 HydrophobicContact CB-CD1 4.36Å; C654-Y672 HydrophobicContact CB-CE1 4.37Å; C669-Y672 HydrophobicContact CB-CD1 4.46Å; C669-Y672 HydrophobicContact CB-CE1 3.66Å; C669-Y672 HydrophobicContact CB-CE2 4.05Å; C669-Y672 VanDerWaalsContact CB-CZ 3.45Å; C669-Y672 WeakPolarHBondContact CB-OH 3.26Å; C669-Y672 VanDerWaalsContact SG-CE1 3.53Å; Y672-N674 PolarHBondContact O-N 2.86Å
673S89.7Confident82.1Confident40 Ų4041.8 Ų41.828%0.2826%0.258SS..  trans-80.1110.4168.5178.30000110.2S653 Q675 Y676 L677S653-S673 PolarHBondContact O-N 3.37Å; S673-Q675 PolarHBondContact O-N 2.85Å; S673-Y676 PolarHBondContact O-N 3.23Å; S673-L677 VanDerWaalsContact O-CB 3.26Å; S673-L677 WeakPolarHBondContact O-CB 3.42Å; S673-L677 PolarHBondContact O-N 3.37Å
674N89.9Confident84Confident12 Ų1241.4 Ų41.46%0.06424%0.237CC..Hα-helixtrans-59.5-46.4-179.5-78.17.5000112.7Q416 Y478 C479 H481 Y672 L677 A678Q416-N674 PolarHBondContact NE2-O 2.88Å; Q416-N674 VanDerWaalsContact OE1-CB 3.23Å; Q416-N674 PolarHBondContact OE1-O 3.22Å; Y478-N674 HydrophobicContact CD2-CB 3.86Å; Y478-N674 HydrophobicContact CE2-CB 4.26Å; Y478-N674 HydrophobicContact CG-CB 4.49Å; C479-N674 PolarHBondContact O-ND2 3.31Å; H481-N674 VanDerWaalsContact CD2-CG 3.46Å; H481-N674 PolarHBondContact CD2-ND2 3.49Å; H481-N674 PolarHBondContact CD2-OD1 3.31Å; H481-N674 PolarHBondContact CE1-ND2 2.04Å; H481-N674 PolarHBondContact NE2-ND2 3.41Å; H481-N674 PolarHBondContact NE2-OD1 2.8Å; H481-N674 VanDerWaalsContact NE2-OD1 3.16Å; Y672-N674 PolarHBondContact O-N 2.86Å; N674-L677 PolarHBondContact O-N 2.82Å; N674-A678 VanDerWaalsContact O-CB 3.25Å; N674-A678 WeakPolarHBondContact O-CB 3.4Å; N674-A678 PolarHBondContact O-N 3.14Å
675Q91.4Very high86.1Confident115 Ų11536.7 Ų36.754%0.53720%0.204SC..Hα-helixtrans-63.6-46.1-178.2-176.5178.112.200111.8Y478 S673 A678 N679Y478-Q675 HydrophobicContact CE2-CB 4.41Å; Y478-Q675 WeakPolarHBondContact OH-CB 2.99Å; Y478-Q675 WeakPolarHBondContact OH-CG 3.03Å; S673-Q675 PolarHBondContact O-N 2.85Å; Q675-A678 PolarHBondContact O-N 3.36Å; Q675-N679 WeakPolarHBondContact O-CB 3.39Å; Q675-N679 VanDerWaalsContact O-CG 3.23Å; Q675-N679 PolarHBondContact O-N 2.02Å; Q675-N679 PolarHBondContact O-ND2 2.96Å
676Y93.2Very high88.1Confident109 Ų10936.6 Ų36.643%0.42720%0.199SC..Hα-helixtrans-66.8-42.3-179.7-171.6-109.5000111.3V652 S673 N679 L680V652-Y676 HydrophobicContact CB-CE1 4.49Å; V652-Y676 HydrophobicContact CG1-CE1 3.81Å; S673-Y676 PolarHBondContact O-N 3.23Å; Y676-N679 PolarHBondContact O-N 3.19Å; Y676-L680 HydrophobicContact CD1-CD1 3.81Å; Y676-L680 HydrophobicContact CD1-CG 4.41Å; Y676-L680 HydrophobicContact CE1-CD1 3.47Å; Y676-L680 VanDerWaalsContact CE1-CD1 3.47Å; Y676-L680 HydrophobicContact CE1-CG 4.12Å; Y676-L680 WeakPolarHBondContact O-CG 3.28Å; Y676-L680 PolarHBondContact O-N 2.89Å
677L94.2Very high90Very high0 Ų034.2 Ų34.20%018%0.183CC..Hα-helixtrans-62.2-44175.8-178.862.1000112.4Y412 F650 S673 N674 L680 F681Y412-L677 HydrophobicContact CE2-CG 4.47Å; F650-L677 HydrophobicContact CD1-CD1 4.03Å; F650-L677 HydrophobicContact CD1-CD2 3.82Å; F650-L677 HydrophobicContact CD2-CD1 4.5Å; F650-L677 HydrophobicContact CE1-CD1 4.16Å; F650-L677 HydrophobicContact CE1-CD2 3.5Å; F650-L677 VanDerWaalsContact CE1-CD2 3.5Å; F650-L677 HydrophobicContact CE1-CG 4.45Å; F650-L677 HydrophobicContact CG-CD1 4.22Å; F650-L677 HydrophobicContact CZ-CD1 4.44Å; F650-L677 HydrophobicContact CZ-CD2 4.21Å; S673-L677 VanDerWaalsContact O-CB 3.26Å; S673-L677 WeakPolarHBondContact O-CB 3.42Å; S673-L677 PolarHBondContact O-N 3.37Å; N674-L677 PolarHBondContact O-N 2.82Å; L677-L680 PolarHBondContact O-N 3.21Å; L677-F681 HydrophobicContact CD1-CD2 3.8Å; L677-F681 HydrophobicContact CD1-CE2 3.56Å; L677-F681 HydrophobicContact CG-CD2 4.32Å; L677-F681 HydrophobicContact CG-CE2 4.34Å; L677-F681 WeakPolarHBondContact O-CD2 3.42Å; L677-F681 PolarHBondContact O-N 3.06Å
678A95.1Very high91.4Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-59.9-46.917600000111.8Y475 Y478 N674 Q675 L680 F681 L682Y475-A678 VanDerWaalsContact O-CB 3.25Å; Y475-A678 WeakPolarHBondContact O-CB 3.42Å; Y478-A678 HydrophobicContact CD1-CB 3.93Å; Y478-A678 HydrophobicContact CE1-CB 4.26Å; N674-A678 VanDerWaalsContact O-CB 3.25Å; N674-A678 WeakPolarHBondContact O-CB 3.4Å; N674-A678 PolarHBondContact O-N 3.14Å; Q675-A678 PolarHBondContact O-N 3.36Å; A678-L680 VanDerWaalsContact C-N 3.35Å; A678-L680 PolarHBondContact O-N 3.5Å; A678-F681 PolarHBondContact O-N 3.45Å; A678-L682 WeakPolarHBondContact O-CB 3.29Å; A678-L682 PolarHBondContact O-N 3.4Å
679N95.5Very high92.5Very high59 Ų5933.9 Ų33.932%0.31618%0.178SC..Hα-helixtrans-63.3-39.1178.3-73-19.1000112.5Q675 Y676 T683Q675-N679 WeakPolarHBondContact O-CB 3.39Å; Q675-N679 VanDerWaalsContact O-CG 3.23Å; Q675-N679 PolarHBondContact O-N 2.02Å; Q675-N679 PolarHBondContact O-ND2 2.96Å; Y676-N679 PolarHBondContact O-N 3.19Å; N679-T683 VanDerWaalsContact O-CB 3.27Å; N679-T683 WeakPolarHBondContact O-CB 3.49Å; N679-T683 PolarHBondContact O-N 3.14Å; N679-T683 PolarHBondContact O-OG1 3.41Å
680L96.1Very high93.1Very high22 Ų2237.5 Ų37.512%0.11520%0.195CC..Hα-helixtrans-61.6-52.3174.1-76.9175.6000110.8M649 Y676 L677 A678 L682 T683 F684M649-L680 HydrophobicContact CB-CB 4.44Å; M649-L680 HydrophobicContact CB-CD1 4.06Å; M649-L680 HydrophobicContact CE-CB 3.6Å; M649-L680 WeakPolarHBondContact CE-O 3.25Å; M649-L680 HydrophobicContact CG-CB 4.38Å; M649-L680 HydrophobicContact CG-CD1 4.34Å; Y676-L680 HydrophobicContact CD1-CD1 3.81Å; Y676-L680 HydrophobicContact CD1-CG 4.41Å; Y676-L680 HydrophobicContact CE1-CD1 3.47Å; Y676-L680 VanDerWaalsContact CE1-CD1 3.47Å; Y676-L680 HydrophobicContact CE1-CG 4.12Å; Y676-L680 WeakPolarHBondContact O-CG 3.28Å; Y676-L680 PolarHBondContact O-N 2.89Å; L677-L680 PolarHBondContact O-N 3.21Å; A678-L680 VanDerWaalsContact C-N 3.35Å; A678-L680 PolarHBondContact O-N 3.5Å; L680-L682 VanDerWaalsContact C-N 3.32Å; L680-L682 PolarHBondContact O-N 3.31Å; L680-T683 PolarHBondContact O-N 3.19Å; L680-F684 HydrophobicContact CD2-CE2 4.42Å; L680-F684 WeakPolarHBondContact O-CD2 3.37Å; L680-F684 PolarHBondContact O-N 3.06Å
681F95.9Very high93.9Very high0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-57.5-44179.2-92-115.9000112.4Y412 Y475 F646 M649 F650 L677 A678 T685Y412-F681 AromaticContact CD2-CD1 3.78Å; Y412-F681 HydrophobicContact CD2-CD1 3.78Å; Y412-F681 HydrophobicContact CD2-CD2 4.21Å; Y412-F681 AromaticContact CD2-CE1 3.68Å; Y412-F681 HydrophobicContact CD2-CE1 3.68Å; Y412-F681 HydrophobicContact CD2-CE2 4.14Å; Y412-F681 HydrophobicContact CD2-CG 4.05Å; Y412-F681 AromaticContact CD2-CZ 3.86Å; Y412-F681 HydrophobicContact CD2-CZ 3.86Å; Y412-F681 HydrophobicContact CE2-CB 4.19Å; Y412-F681 AromaticContact CE2-CD1 3.86Å; Y412-F681 HydrophobicContact CE2-CD1 3.86Å; Y412-F681 HydrophobicContact CE2-CD2 4.12Å; Y412-F681 HydrophobicContact CE2-CE1 4.24Å; Y412-F681 AromaticContact CE2-CG 3.79Å; Y412-F681 HydrophobicContact CE2-CG 3.79Å; Y412-F681 HydrophobicContact CG-CE1 4.29Å; Y475-F681 HydrophobicContact CD1-CB 3.98Å; Y475-F681 HydrophobicContact CD1-CD1 4.38Å; Y475-F681 HydrophobicContact CE1-CB 4.16Å; Y475-F681 AromaticContact CE1-CD1 3.84Å; Y475-F681 HydrophobicContact CE1-CD1 3.84Å; Y475-F681 HydrophobicContact CE1-CG 4.47Å; Y475-F681 HydrophobicContact CG-CB 4.18Å; F646-F681 HydrophobicContact CD1-CD1 4.2Å; F646-F681 AromaticContact CD1-CE1 3.62Å; F646-F681 HydrophobicContact CD1-CE1 3.62Å; F646-F681 HydrophobicContact CD1-CE2 4.06Å; F646-F681 AromaticContact CD1-CZ 3.54Å; F646-F681 HydrophobicContact CD1-CZ 3.54Å; F646-F681 AromaticContact CE1-CD1 3.84Å; F646-F681 HydrophobicContact CE1-CD1 3.84Å; F646-F681 AromaticContact CE1-CE1 3.69Å; F646-F681 HydrophobicContact CE1-CE1 3.69Å; F646-F681 HydrophobicContact CE1-CG 4.35Å; F646-F681 HydrophobicContact CE1-CZ 4.05Å; M649-F681 HydrophobicContact CB-CE2 4.5Å; M649-F681 HydrophobicContact CE-CB 4.43Å; M649-F681 HydrophobicContact CE-CD2 3.55Å; M649-F681 HydrophobicContact CE-CE2 4.02Å; M649-F681 HydrophobicContact CE-CG 4.14Å; M649-F681 VanDerWaalsContact CE-N 3.33Å; F650-F681 HydrophobicContact CD2-CE2 4.49Å; F650-F681 AromaticContact CE2-CE2 3.98Å; F650-F681 HydrophobicContact CE2-CE2 3.98Å; F650-F681 AromaticContact CE2-CZ 3.69Å; F650-F681 HydrophobicContact CE2-CZ 3.69Å; F650-F681 HydrophobicContact CZ-CE2 4.37Å; F650-F681 HydrophobicContact CZ-CZ 4.11Å; L677-F681 HydrophobicContact CD1-CD2 3.8Å; L677-F681 HydrophobicContact CD1-CE2 3.56Å; L677-F681 HydrophobicContact CG-CD2 4.32Å; L677-F681 HydrophobicContact CG-CE2 4.34Å; L677-F681 WeakPolarHBondContact O-CD2 3.42Å; L677-F681 PolarHBondContact O-N 3.06Å; A678-F681 PolarHBondContact O-N 3.45Å; F681-T685 VanDerWaalsContact O-CB 3.3Å; F681-T685 WeakPolarHBondContact O-CB 3.35Å; F681-T685 PolarHBondContact O-N 3.44Å; F681-T685 PolarHBondContact O-OG1 3.23Å
682L96.3Very high94.5Very high22 Ų2239.1 Ų39.112%0.11520%0.204CC..Hα-helixtrans-61.9-50.6176.5-177.967000112S472 Y475 L476 A678 L680 F684 T685 I686S472-L682 WeakPolarHBondContact O-CD1 3.48Å; Y475-L682 HydrophobicContact CD2-CB 4.49Å; Y475-L682 HydrophobicContact CD2-CD1 4.31Å; L476-L682 HydrophobicContact CD1-CD2 4.06Å; L476-L682 HydrophobicContact CD2-CD2 3.65Å; L476-L682 HydrophobicContact CG-CD2 3.77Å; A678-L682 WeakPolarHBondContact O-CB 3.29Å; A678-L682 PolarHBondContact O-N 3.4Å; L680-L682 VanDerWaalsContact C-N 3.32Å; L680-L682 PolarHBondContact O-N 3.31Å; L682-F684 PolarHBondContact O-N 3.19Å; L682-T685 PolarHBondContact O-N 3.37Å; L682-I686 HydrophobicContact CD1-CD1 3.54Å; L682-I686 HydrophobicContact CD1-CG1 4.04Å; L682-I686 HydrophobicContact CD2-CD1 4.48Å; L682-I686 HydrophobicContact CG-CD1 3.82Å; L682-I686 HydrophobicContact CG-CG1 4.44Å; L682-I686 WeakPolarHBondContact O-CB 3.47Å; L682-I686 WeakPolarHBondContact O-CG1 3.39Å; L682-I686 PolarHBondContact O-N 2.86Å
683T96.3Very high95Very high86 Ų8640 Ų4053%0.52821%0.209SC..Hα-helixtrans-62.6-44.2-175.4-58.50000111.1N679 L680 S687N679-T683 VanDerWaalsContact O-CB 3.27Å; N679-T683 WeakPolarHBondContact O-CB 3.49Å; N679-T683 PolarHBondContact O-N 3.14Å; N679-T683 PolarHBondContact O-OG1 3.41Å; L680-T683 PolarHBondContact O-N 3.19Å; T683-S687 VanDerWaalsContact O-CB 3.23Å; T683-S687 WeakPolarHBondContact O-CB 3.22Å; T683-S687 PolarHBondContact O-N 3.28Å; T683-S687 PolarHBondContact O-OG 2.81Å
684F95.3Very high95.3Very high61 Ų6140.5 Ų40.527%0.26822%0.215SC..Hα-helixtrans-67.4-39.4176.8-87-83000112.5L645 M649 L680 L682 S687 G688L645-F684 HydrophobicContact CD1-CE1 3.96Å; L645-F684 HydrophobicContact CD1-CZ 4.02Å; L645-F684 HydrophobicContact CD2-CD1 3.82Å; L645-F684 HydrophobicContact CD2-CE1 3.63Å; L645-F684 HydrophobicContact CD2-CZ 4.44Å; L645-F684 HydrophobicContact CG-CE1 4.1Å; L645-F684 HydrophobicContact CG-CZ 4.44Å; M649-F684 HydrophobicContact CE-CB 4.21Å; M649-F684 HydrophobicContact CE-CD2 3.68Å; M649-F684 HydrophobicContact CE-CE2 4.43Å; M649-F684 HydrophobicContact CE-CG 4.19Å; M649-F684 HydrophobicContact CG-CE2 4.4Å; M649-F684 HydrophobicContact SD-CD2 3.84Å; M649-F684 HydrophobicContact SD-CE2 4.21Å; M649-F684 HydrophobicContact SD-CG 4.23Å; L680-F684 HydrophobicContact CD2-CE2 4.42Å; L680-F684 WeakPolarHBondContact O-CD2 3.37Å; L680-F684 PolarHBondContact O-N 3.06Å; L682-F684 PolarHBondContact O-N 3.19Å; F684-S687 WeakPolarHBondContact CA-OG 3.26Å; F684-S687 PolarHBondContact O-OG 3.01Å; F684-S687 VanDerWaalsContact O-OG 3.08Å; F684-G688 PolarHBondContact O-N 3.38Å
685T94.8Very high95.6Very high4 Ų441.7 Ų41.73%0.02522%0.222CC..Hα-helixtrans-64.3-50.8176.9-58.40000111.3V401 Y475 F681 L682 G688 Q689V401-T685 HydrophobicContact CG1-CG2 3.87Å; Y475-T685 HydrophobicContact CE2-CG2 4.14Å; Y475-T685 WeakPolarHBondContact CE2-OG1 3.16Å; F681-T685 VanDerWaalsContact O-CB 3.3Å; F681-T685 WeakPolarHBondContact O-CB 3.35Å; F681-T685 PolarHBondContact O-N 3.44Å; F681-T685 PolarHBondContact O-OG1 3.23Å; L682-T685 PolarHBondContact O-N 3.37Å; T685-G688 PolarHBondContact O-N 3.31Å; T685-Q689 WeakPolarHBondContact O-CB 3.33Å; T685-Q689 VanDerWaalsContact O-CG 3.3Å; T685-Q689 WeakPolarHBondContact O-CG 3.36Å; T685-Q689 PolarHBondContact O-N 2.98Å
686I96.2Very high95.8Very high50 Ų5036.2 Ų36.226%0.25620%0.196SC..Hα-helixtrans-64.6-45.1-179.2-71.9-179.2000110.9L469 L682 G688 Q689 I690L469-I686 HydrophobicContact CD2-CB 4.5Å; L469-I686 HydrophobicContact CD2-CG1 4.43Å; L469-I686 HydrophobicContact CD2-CG2 4.25Å; L682-I686 HydrophobicContact CD1-CD1 3.54Å; L682-I686 HydrophobicContact CD1-CG1 4.04Å; L682-I686 HydrophobicContact CD2-CD1 4.48Å; L682-I686 HydrophobicContact CG-CD1 3.82Å; L682-I686 HydrophobicContact CG-CG1 4.44Å; L682-I686 WeakPolarHBondContact O-CB 3.47Å; L682-I686 WeakPolarHBondContact O-CG1 3.39Å; L682-I686 PolarHBondContact O-N 2.86Å; I686-G688 PolarHBondContact O-N 2.77Å; I686-Q689 PolarHBondContact O-N 3Å; I686-I690 HydrophobicContact CG2-CD1 3.48Å; I686-I690 VanDerWaalsContact CG2-CD1 3.48Å; I686-I690 HydrophobicContact CG2-CG1 4.12Å; I686-I690 WeakPolarHBondContact O-CB 3.33Å; I686-I690 VanDerWaalsContact O-CG1 3.26Å; I686-I690 WeakPolarHBondContact O-CG1 3.4Å; I686-I690 PolarHBondContact O-N 3.46Å
687S96.6Very high95.9Very high48 Ų4834.2 Ų34.234%0.33619%0.192SC..Hα-helixtrans-61.4-46.6179.556.10000111.9T683 F684 Q689 I690 I691T683-S687 VanDerWaalsContact O-CB 3.23Å; T683-S687 WeakPolarHBondContact O-CB 3.22Å; T683-S687 PolarHBondContact O-N 3.28Å; T683-S687 PolarHBondContact O-OG 2.81Å; F684-S687 WeakPolarHBondContact CA-OG 3.26Å; F684-S687 PolarHBondContact O-OG 3.01Å; F684-S687 VanDerWaalsContact O-OG 3.08Å; S687-Q689 PolarHBondContact O-N 2.91Å; S687-I690 PolarHBondContact O-N 3.06Å; S687-I691 WeakPolarHBondContact O-CD1 3.49Å; S687-I691 WeakPolarHBondContact O-CG1 3.37Å; S687-I691 PolarHBondContact O-N 3.06Å
688G95.8Very high96Very high6 Ų637.1 Ų37.16%0.06221%0.21CC..Hα-helixtrans-60.2-45.5175.800000112.4F684 T685 I686 I691 T692F684-G688 PolarHBondContact O-N 3.38Å; T685-G688 PolarHBondContact O-N 3.31Å; I686-G688 PolarHBondContact O-N 2.77Å; G688-I691 PolarHBondContact O-N 2.85Å; G688-T692 PolarHBondContact O-N 3.03Å; G688-T692 PolarHBondContact O-OG1 3.23Å; G688-T692 VanDerWaalsContact O-OG1 3.06Å
689Q95.5Very high95.9Very high5 Ų537.1 Ų37.12%0.02321%0.21CC..Hα-helixtrans-66.6-39.2178.7-74.2177.1-18.900113.5S468 L469 S472 T685 I686 S687 I691 T692 L693S468-Q689 PolarHBondContact OG-NE2 3.09Å; L469-Q689 HydrophobicContact CD1-CB 4.37Å; L469-Q689 HydrophobicContact CD2-CB 3.54Å; L469-Q689 VanDerWaalsContact CD2-OE1 3.3Å; L469-Q689 HydrophobicContact CG-CB 3.81Å; S472-Q689 PolarHBondContact OG-OE1 3.34Å; T685-Q689 WeakPolarHBondContact O-CB 3.33Å; T685-Q689 VanDerWaalsContact O-CG 3.3Å; T685-Q689 WeakPolarHBondContact O-CG 3.36Å; T685-Q689 PolarHBondContact O-N 2.98Å; I686-Q689 PolarHBondContact O-N 3Å; S687-Q689 PolarHBondContact O-N 2.91Å; Q689-I691 VanDerWaalsContact C-N 3.35Å; Q689-T692 PolarHBondContact O-N 2.95Å; Q689-L693 WeakPolarHBondContact O-CB 3.32Å; Q689-L693 PolarHBondContact O-N 3.06Å
690I97.3Very high95.9Very high90 Ų9036.2 Ų36.246%0.46221%0.205SC..Hα-helixtrans-63.6-42.7174.9-72.3173.3000110.3L469 I686 S687 L693 A694L469-I690 HydrophobicContact CD1-CG1 4.39Å; L469-I690 HydrophobicContact CD2-CG1 4.03Å; I686-I690 HydrophobicContact CG2-CD1 3.48Å; I686-I690 VanDerWaalsContact CG2-CD1 3.48Å; I686-I690 HydrophobicContact CG2-CG1 4.12Å; I686-I690 WeakPolarHBondContact O-CB 3.33Å; I686-I690 VanDerWaalsContact O-CG1 3.26Å; I686-I690 WeakPolarHBondContact O-CG1 3.4Å; I686-I690 PolarHBondContact O-N 3.46Å; S687-I690 PolarHBondContact O-N 3.06Å; I690-L693 PolarHBondContact O-N 3.39Å; I690-A694 WeakPolarHBondContact O-CB 3.44Å; I690-A694 PolarHBondContact O-N 2.75Å
691I96.9Very high95.7Very high81 Ų8141.9 Ų41.942%0.41523%0.232SC..Hα-helixtrans-63.2-48.1177.3-66.2163.5000110.1I397 S687 G688 Q689 L693 A694 I695I397-I691 HydrophobicContact CD1-CG2 3.61Å; I397-I691 HydrophobicContact CG2-CB 4.49Å; I397-I691 HydrophobicContact CG2-CG2 4.43Å; S687-I691 WeakPolarHBondContact O-CD1 3.49Å; S687-I691 WeakPolarHBondContact O-CG1 3.37Å; S687-I691 PolarHBondContact O-N 3.06Å; G688-I691 PolarHBondContact O-N 2.85Å; Q689-I691 VanDerWaalsContact C-N 3.35Å; I691-L693 VanDerWaalsContact C-N 3.34Å; I691-L693 PolarHBondContact O-N 3.05Å; I691-A694 PolarHBondContact O-N 3.44Å; I691-I695 HydrophobicContact CG2-CD1 3.8Å; I691-I695 HydrophobicContact CG2-CG1 4.42Å; I691-I695 VanDerWaalsContact O-CG1 3.27Å; I691-I695 WeakPolarHBondContact O-CG1 3.32Å; I691-I695 PolarHBondContact O-N 3.44Å
692T96.2Very high95.5Very high1 Ų146.8 Ų46.81%0.00626%0.257CS..Hα-helixtrans-58.2-46175.8-60.50000111.4A394 D398 I465 G688 Q689 A694 I695 L696A394-T692 HydrophobicContact CB-CG2 4.18Å; A394-T692 PolarHBondContact O-OG1 3.49Å; D398-T692 HydrophobicContact CB-CG2 4.15Å; I465-T692 HydrophobicContact CD1-CG2 3.83Å; G688-T692 PolarHBondContact O-N 3.03Å; G688-T692 PolarHBondContact O-OG1 3.23Å; G688-T692 VanDerWaalsContact O-OG1 3.06Å; Q689-T692 PolarHBondContact O-N 2.95Å; T692-A694 PolarHBondContact O-N 2.78Å; T692-I695 PolarHBondContact O-N 2.85Å; T692-L696 HydrophobicContact CG2-CD1 4.32Å; T692-L696 WeakPolarHBondContact O-CG 3.32Å; T692-L696 PolarHBondContact O-N 3.23Å
693L96.6Very high95.1Very high28 Ų2848 Ų4815%0.14726%0.262CS..Hα-helixtrans-58.4-48.7177.2-178.166.8000111.4I462 I465 L469 Q689 I690 I691 I695 L696 I697I462-L693 HydrophobicContact CB-CD1 4.48Å; I462-L693 HydrophobicContact CG2-CD1 3.77Å; I465-L693 HydrophobicContact CB-CD1 4.37Å; I465-L693 HydrophobicContact CG2-CB 3.93Å; I465-L693 HydrophobicContact CG2-CD1 4.12Å; L469-L693 HydrophobicContact CD1-CD2 3.83Å; Q689-L693 WeakPolarHBondContact O-CB 3.32Å; Q689-L693 PolarHBondContact O-N 3.06Å; I690-L693 PolarHBondContact O-N 3.39Å; I691-L693 VanDerWaalsContact C-N 3.34Å; I691-L693 PolarHBondContact O-N 3.05Å; L693-I695 VanDerWaalsContact C-N 3.34Å; L693-I695 PolarHBondContact O-N 3.22Å; L693-L696 PolarHBondContact O-N 2.98Å; L693-I697 HydrophobicContact CD1-CD1 4.09Å; L693-I697 HydrophobicContact CD1-CG1 4.49Å; L693-I697 HydrophobicContact CG-CD1 3.85Å; L693-I697 WeakPolarHBondContact O-CB 3.17Å; L693-I697 VanDerWaalsContact O-CG1 3.25Å; L693-I697 WeakPolarHBondContact O-CG1 3.47Å; L693-I697 PolarHBondContact O-N 3.24Å
694A97Very high94.5Very high51 Ų5144.4 Ų44.442%0.42124%0.241SC..Hα-helixtrans-60-44.9178.700000111.4I690 I691 T692 I697 V698I690-A694 WeakPolarHBondContact O-CB 3.44Å; I690-A694 PolarHBondContact O-N 2.75Å; I691-A694 PolarHBondContact O-N 3.44Å; T692-A694 PolarHBondContact O-N 2.78Å; A694-I697 PolarHBondContact O-N 3.23Å; A694-V698 VanDerWaalsContact O-CG2 3.31Å; A694-V698 WeakPolarHBondContact O-CG2 3.5Å; A694-V698 PolarHBondContact O-N 3.23Å
695I96.4Very high93.8Very high38 Ų3844.8 Ų44.820%0.19526%0.256CS..Hα-helixtrans-61-47.4177.8-67.5167.9000111I390 A394 I397 I691 T692 L693 I697 V698 V699I390-I695 HydrophobicContact CG2-CG2 3.22Å; A394-I695 HydrophobicContact CB-CB 4.18Å; A394-I695 HydrophobicContact CB-CG2 3.76Å; I397-I695 HydrophobicContact CD1-CD1 3.73Å; I691-I695 HydrophobicContact CG2-CD1 3.8Å; I691-I695 HydrophobicContact CG2-CG1 4.42Å; I691-I695 VanDerWaalsContact O-CG1 3.27Å; I691-I695 WeakPolarHBondContact O-CG1 3.32Å; I691-I695 PolarHBondContact O-N 3.44Å; T692-I695 PolarHBondContact O-N 2.85Å; L693-I695 VanDerWaalsContact C-N 3.34Å; L693-I695 PolarHBondContact O-N 3.22Å; I695-I697 VanDerWaalsContact C-N 3.34Å; I695-I697 PolarHBondContact O-N 3.47Å; I695-V698 WeakPolarHBondContact O-CB 3.42Å; I695-V698 PolarHBondContact O-N 3.48Å; I695-V699 WeakPolarHBondContact O-CG2 2.93Å; I695-V699 PolarHBondContact O-N 3.02Å
696L95.4Very high93.2Very high0 Ų047.3 Ų47.30%028%0.277CS..Hα-helixtrans-67.4-34.3-179.7-65.2-178000112.7A394 L458 I462 I465 I610 T692 L693 V699 L700A394-L696 HydrophobicContact CB-CD2 3.86Å; A394-L696 HydrophobicContact CB-CG 4.25Å; L458-L696 HydrophobicContact CD1-CB 4.25Å; L458-L696 HydrophobicContact CD1-CD2 3.92Å; L458-L696 HydrophobicContact CD1-CG 4.48Å; I462-L696 HydrophobicContact CD1-CB 4.25Å; I462-L696 HydrophobicContact CG1-CB 3.86Å; I465-L696 HydrophobicContact CD1-CD1 3.3Å; I610-L696 HydrophobicContact CD1-CD1 4Å; T692-L696 HydrophobicContact CG2-CD1 4.32Å; T692-L696 WeakPolarHBondContact O-CG 3.32Å; T692-L696 PolarHBondContact O-N 3.23Å; L693-L696 PolarHBondContact O-N 2.98Å; L696-V699 PolarHBondContact O-N 2.71Å; L696-L700 WeakPolarHBondContact O-CB 3.01Å; L696-L700 PolarHBondContact O-N 3.5Å
697I95.5Very high92.4Very high66 Ų6645.1 Ų45.134%0.33827%0.266SS..Hα-helixtrans-63.7-44.5172.4-69.8168.3000110.2I462 L693 A694 I695 V699 L700 M701I462-I697 HydrophobicContact CD1-CG1 4.12Å; I462-I697 HydrophobicContact CG2-CG1 4.34Å; L693-I697 HydrophobicContact CD1-CD1 4.09Å; L693-I697 HydrophobicContact CD1-CG1 4.49Å; L693-I697 HydrophobicContact CG-CD1 3.85Å; L693-I697 WeakPolarHBondContact O-CB 3.17Å; L693-I697 VanDerWaalsContact O-CG1 3.25Å; L693-I697 WeakPolarHBondContact O-CG1 3.47Å; L693-I697 PolarHBondContact O-N 3.24Å; A694-I697 PolarHBondContact O-N 3.23Å; I695-I697 VanDerWaalsContact C-N 3.34Å; I695-I697 PolarHBondContact O-N 3.47Å; I697-V699 VanDerWaalsContact C-N 3.34Å; I697-V699 PolarHBondContact O-N 3.45Å; I697-L700 PolarHBondContact O-N 3.35Å; I697-M701 HydrophobicContact CG2-CE 4.09Å; I697-M701 HydrophobicContact CG2-CG 4.47Å; I697-M701 HydrophobicContact CG2-SD 4.38Å; I697-M701 WeakPolarHBondContact O-CG 3.35Å; I697-M701 PolarHBondContact O-N 2.98Å
698V95.1Very high91.5Very high62 Ų6246.1 Ų46.138%0.37627%0.267SS..Hα-helixtrans-59.6-44175.1169.70000111.2A694 I695 L700 M701 I702A694-V698 VanDerWaalsContact O-CG2 3.31Å; A694-V698 WeakPolarHBondContact O-CG2 3.5Å; A694-V698 PolarHBondContact O-N 3.23Å; I695-V698 WeakPolarHBondContact O-CB 3.42Å; I695-V698 PolarHBondContact O-N 3.48Å; V698-L700 VanDerWaalsContact C-N 3.33Å; V698-L700 PolarHBondContact O-N 3.43Å; V698-M701 HydrophobicContact CG2-CE 4.13Å; V698-M701 PolarHBondContact O-N 2.51Å; V698-I702 HydrophobicContact CG1-CD1 3.61Å; V698-I702 HydrophobicContact CG1-CG1 4.37Å; V698-I702 WeakPolarHBondContact O-CG1 3.08Å; V698-I702 PolarHBondContact O-N 3.07Å
699V94.4Very high89.7Confident0 Ų050.2 Ų50.20%029%0.288CS..Hα-helixtrans-59.3-45.1174.81730000111.1L387 I390 I391 L458 I695 L696 I697 M701 I702 F703L387-V699 HydrophobicContact CD1-CG1 3.49Å; L387-V699 VanDerWaalsContact CD1-CG1 3.49Å; I390-V699 HydrophobicContact CB-CG2 3.92Å; I390-V699 HydrophobicContact CD1-CG2 4.19Å; I390-V699 HydrophobicContact CG2-CG2 3.34Å; I391-V699 HydrophobicContact CD1-CG1 4.13Å; I391-V699 HydrophobicContact CG1-CG1 4.03Å; I391-V699 HydrophobicContact CG1-CG2 4.19Å; L458-V699 HydrophobicContact CD2-CB 4.3Å; L458-V699 HydrophobicContact CD2-CG1 3.77Å; I695-V699 WeakPolarHBondContact O-CG2 2.93Å; I695-V699 PolarHBondContact O-N 3.02Å; L696-V699 PolarHBondContact O-N 2.71Å; I697-V699 VanDerWaalsContact C-N 3.34Å; I697-V699 PolarHBondContact O-N 3.45Å; V699-M701 VanDerWaalsContact C-N 3.31Å; V699-M701 PolarHBondContact O-N 3.32Å; V699-I702 PolarHBondContact O-N 3.36Å; V699-F703 HydrophobicContact CG1-CD2 4.43Å; V699-F703 WeakPolarHBondContact O-CB 3Å; V699-F703 PolarHBondContact O-N 2.03Å
700L93.8Very high87.7Confident40 Ų4055 Ų5521%0.20931%0.313CS..Hα-helixtrans-63.5-37.1178.7-176.865.9000111.9L458 K459 I462 L696 I697 V698 G704L458-L700 HydrophobicContact CD2-CB 3.78Å; L458-L700 HydrophobicContact CD2-CD1 4Å; L458-L700 HydrophobicContact CD2-CG 4.49Å; L458-L700 HydrophobicContact CG-CB 4.41Å; L458-L700 HydrophobicContact CG-CD1 4.45Å; K459-L700 HydrophobicContact CG-CD1 4.08Å; K459-L700 HydrophobicContact CG-CD2 3.7Å; I462-L700 HydrophobicContact CD1-CB 4.24Å; I462-L700 HydrophobicContact CD1-CD2 3.86Å; L696-L700 WeakPolarHBondContact O-CB 3.01Å; L696-L700 PolarHBondContact O-N 3.5Å; I697-L700 PolarHBondContact O-N 3.35Å; V698-L700 VanDerWaalsContact C-N 3.33Å; V698-L700 PolarHBondContact O-N 3.43Å; L700-G704 WeakPolarHBondContact O-CA 3.47Å; L700-G704 PolarHBondContact O-N 3.35Å
701M92.5Very high85.2Confident140 Ų14052.8 Ų52.869%0.6931%0.309SS*.Hα-helixtrans-70.1-43.2178-70.3-170.7-60.800112.5I697 V698 V699I697-M701 HydrophobicContact CG2-CE 4.09Å; I697-M701 HydrophobicContact CG2-CG 4.47Å; I697-M701 HydrophobicContact CG2-SD 4.38Å; I697-M701 WeakPolarHBondContact O-CG 3.35Å; I697-M701 PolarHBondContact O-N 2.98Å; V698-M701 HydrophobicContact CG2-CE 4.13Å; V698-M701 PolarHBondContact O-N 2.51Å; V699-M701 VanDerWaalsContact C-N 3.31Å; V699-M701 PolarHBondContact O-N 3.32Å
702I92Very high82.3Confident104 Ų10455.5 Ų55.553%0.53332%0.324SS..Hα-helixtrans-80.3-45.8-175.2-62.4173.3000111.6V698 V699V698-I702 HydrophobicContact CG1-CD1 3.61Å; V698-I702 HydrophobicContact CG1-CG1 4.37Å; V698-I702 WeakPolarHBondContact O-CG1 3.08Å; V698-I702 PolarHBondContact O-N 3.07Å; V699-I702 PolarHBondContact O-N 3.36Å
703F88.6Confident79.6Confident48 Ų4863.4 Ų63.421%0.21136%0.361CS..Hα-helixtrans-107.50.5-171.1-62.4-82.1000113.4L387 I390 V699 A705 A706 L707L387-F703 HydrophobicContact CB-CD1 4.41Å; L387-F703 HydrophobicContact CB-CE1 4.36Å; L387-F703 HydrophobicContact CB-CZ 4.44Å; L387-F703 HydrophobicContact CD1-CB 3.99Å; L387-F703 HydrophobicContact CD1-CD1 4.46Å; L387-F703 HydrophobicContact CD1-CD2 3.8Å; L387-F703 HydrophobicContact CD1-CE2 4.4Å; L387-F703 HydrophobicContact CD1-CG 3.83Å; L387-F703 HydrophobicContact CD2-CB 4.47Å; L387-F703 HydrophobicContact CD2-CD1 4.49Å; L387-F703 HydrophobicContact CD2-CG 4.48Å; I390-F703 HydrophobicContact CD1-CE2 3.99Å; V699-F703 HydrophobicContact CG1-CD2 4.43Å; V699-F703 WeakPolarHBondContact O-CB 3Å; V699-F703 PolarHBondContact O-N 2.03Å; F703-A705 VanDerWaalsContact C-N 3.28Å; F703-A705 PolarHBondContact O-N 2.75Å; F703-A706 PolarHBondContact O-N 3.45Å; F703-L707 HydrophobicContact CB-CD1 4.16Å; F703-L707 HydrophobicContact CB-CG 4.47Å; F703-L707 WeakPolarHBondContact O-CB 2.99Å; F703-L707 VanDerWaalsContact O-CG 3.27Å; F703-L707 WeakPolarHBondContact O-CG 3.35Å; F703-L707 PolarHBondContact O-N 2Å
704G83.6Confident76.6Confident9 Ų964.2 Ų64.29%0.09338%0.376CS..THydrogen-bonded Turntrans-61.2-31.5-175.100000114.9L700 N708L700-G704 WeakPolarHBondContact O-CA 3.47Å; L700-G704 PolarHBondContact O-N 3.35Å; G704-N708 PolarHBondContact O-N 2.02Å; G704-N708 PolarHBondContact O-ND2 2.85Å
705A80.6Confident73.4Confident69 Ų6966.5 Ų66.557%0.5739%0.387SS*.THydrogen-bonded Turntrans-71.1-51.4174.800000111.3F703 L707 N708 D709F703-A705 VanDerWaalsContact C-N 3.28Å; F703-A705 PolarHBondContact O-N 2.75Å; A705-L707 VanDerWaalsContact C-N 3.25Å; A705-L707 PolarHBondContact O-N 3.24Å; A705-N708 WeakPolarHBondContact O-CB 3.13Å; A705-N708 PolarHBondContact O-N 3.01Å; A705-D709 PolarHBondContact O-N 3.21Å; A705-D709 VanDerWaalsContact O-N 3.17Å
706A80.7Confident70.1Confident57 Ų5770.4 Ų70.447%0.47141%0.414SS..Hα-helixtrans-56.4-39.7176.200000112.4F703 N708 D709 D710F703-A706 PolarHBondContact O-N 3.45Å; A706-N708 VanDerWaalsContact C-N 3.25Å; A706-N708 PolarHBondContact O-N 2.9Å; A706-D709 PolarHBondContact O-N 2.97Å; A706-D710 PolarHBondContact O-N 3.17Å
707L80.9Confident67.3Low5 Ų576.6 Ų76.63%0.02645%0.452CS..Hα-helixtrans-72.5-13.1177.8-70169.4000114.5L387 L458 T617 F703 A705L387-L707 HydrophobicContact CD2-CD2 4.09Å; L458-L707 HydrophobicContact CD2-CD1 4.42Å; T617-L707 HydrophobicContact CG2-CD2 4.22Å; F703-L707 HydrophobicContact CB-CD1 4.16Å; F703-L707 HydrophobicContact CB-CG 4.47Å; F703-L707 WeakPolarHBondContact O-CB 2.99Å; F703-L707 VanDerWaalsContact O-CG 3.27Å; F703-L707 WeakPolarHBondContact O-CG 3.35Å; F703-L707 PolarHBondContact O-N 2Å; A705-L707 VanDerWaalsContact C-N 3.25Å; A705-L707 PolarHBondContact O-N 3.24Å
708N76.8Confident64.5Low68 Ų6876.3 Ų76.336%0.36447%0.466SS..Hα-helixtrans-88.2-35.6171.5-85.4-22.4000111.4S455 G704 A705 A706 A711S455-N708 WeakPolarHBondContact CB-OD1 3.44Å; S455-N708 PolarHBondContact OG-OD1 3.39Å; G704-N708 PolarHBondContact O-N 2.02Å; G704-N708 PolarHBondContact O-ND2 2.85Å; A705-N708 WeakPolarHBondContact O-CB 3.13Å; A705-N708 PolarHBondContact O-N 3.01Å; A706-N708 VanDerWaalsContact C-N 3.25Å; A706-N708 PolarHBondContact O-N 2.9Å; N708-A711 WeakPolarHBondContact O-CB 3.42Å; N708-A711 PolarHBondContact O-N 3.49Å
709D58.3Low61.3Low93 Ų9379.8 Ų79.850%0.49748%0.482SS..Hα-helixtrans-72.9-26.5-173.8-67.7-29.4000113.4A705 A706 A711 N712A705-D709 PolarHBondContact O-N 3.21Å; A705-D709 VanDerWaalsContact O-N 3.17Å; A706-D709 PolarHBondContact O-N 2.97Å; D709-A711 PolarHBondContact O-N 2.9Å; D709-N712 PolarHBondContact O-N 3.06Å
710D53.6Low58.4Low104 Ų10486.2 Ų86.256%0.55651%0.512SS*.THydrogen-bonded Turntrans-58.6-12.8170.3-75.5-26.1000113.8A706A706-D710 PolarHBondContact O-N 3.17Å
711A44.9Very low55.3Low44 Ų4491.4 Ų91.436%0.36454%0.535SS..THydrogen-bonded Turntrans-91-17.4174.200000114.2N453 N708 D709N453-A711 WeakPolarHBondContact ND2-CB 3.43Å; N708-A711 WeakPolarHBondContact O-CB 3.42Å; N708-A711 PolarHBondContact O-N 3.49Å; D709-A711 PolarHBondContact O-N 2.9Å
712N35.5Very low52.4Low138 Ų13891.4 Ų91.474%0.73854%0.537SS*.THydrogen-bonded Turntrans-89.1-16179.1-77-17.4000112.6D709 G714D709-N712 PolarHBondContact O-N 3.06Å; N712-G714 PolarHBondContact O-N 2.58Å; N712-G714 VanDerWaalsContact O-N 3.11Å
713H38.7Very low49.7Very low167 Ų16791.8 Ų91.877%0.77354%0.537SS*.  trans-81.279.3158.4-74.6-52.3000109.3
714G33.7Very low47.1Very low45 Ų4596.4 Ų96.446%0.46456%0.559SS.*  trans-53167.6151.300000110.6N712N712-G714 PolarHBondContact O-N 2.58Å; N712-G714 VanDerWaalsContact O-N 3.11Å
715P29.6Very low44.7Very low100 Ų10098.8 Ų98.865%0.64958%0.578SS**SBendtrans-49.9147.3178.625.2-33.9000109.6T717P715-T717 PolarHBondContact O-N 3.07Å
716P27.8Very low42.4Very low120 Ų12098 Ų9878%0.77957%0.568SS**  trans-52105.7178.321.2-31.1000109G718P716-G718 PolarHBondContact O-N 2.86Å
717T36.4Very low40.2Very low129 Ų12999.7 Ų99.779%0.79157%0.569SS**  trans-73.3114.7171.141.30000106.8P715P715-T717 PolarHBondContact O-N 3.07Å
718G36.1Very low38.1Very low61 Ų61103.7 Ų103.763%0.62959%0.593SS**SBendtrans130.676.7178.200000110.7P716P716-G718 PolarHBondContact O-N 2.86Å
719D29.2Very low36.1Very low135 Ų135106.9 Ų106.972%0.72261%0.606SS**SBendtrans139-30.8150.5-71.1-12.7000114.4
720H32.5Very low34.9Very low135 Ų135110.4 Ų110.463%0.62561%0.612SS**Hα-helixtrans-82.5-18.8-179.4-90.6-54.2000115.7E723 E724H720-E723 IonicContact CE1-OE2 3.72Å; H720-E723 IonicContact ND1-OE2 2.73Å; H720-E723 PolarHBondContact ND1-OE2 3.47Å; H720-E723 PolarHBondContact O-N 3.24Å; H720-E724 PolarHBondContact O-N 2.83Å
721Q29.1Very low34.1Very low148 Ų148112.8 Ų112.869%0.69262%0.618SS**Hα-helixtrans-77.6-21.9176.9-76.8-170.9-1800113.6E723 A725Q721-E723 VanDerWaalsContact C-N 3.31Å; Q721-A725 VanDerWaalsContact O-CB 3.25Å; Q721-A725 WeakPolarHBondContact O-CB 3.35Å; Q721-A725 PolarHBondContact O-N 3.49Å; Q721-A725 VanDerWaalsContact O-N 3.17Å
722L32.7Very low33.8Very low141 Ų141118 Ų11874%0.73864%0.635SS**Hα-helixtrans-74.1-26.1169.8-96.2120.9000111.8S726L722-S726 WeakPolarHBondContact O-CB 3.48Å; L722-S726 PolarHBondContact O-N 2.97Å; L722-S726 PolarHBondContact O-OG 3.16Å
723E34.9Very low33.7Very low112 Ų112117.1 Ų117.152%0.52363%0.629SS.*Hα-helixtrans-81-39.4179-137.7176.4174.200112.1H720 Q721 S726 L727H720-E723 IonicContact CE1-OE2 3.72Å; H720-E723 IonicContact ND1-OE2 2.73Å; H720-E723 PolarHBondContact ND1-OE2 3.47Å; H720-E723 PolarHBondContact O-N 3.24Å; Q721-E723 VanDerWaalsContact C-N 3.31Å; E723-S726 WeakPolarHBondContact CA-OG 3.41Å; E723-S726 PolarHBondContact O-OG 2.74Å; E723-S726 VanDerWaalsContact O-OG 3.06Å; E723-L727 WeakPolarHBondContact O-CB 3.29Å; E723-L727 WeakPolarHBondContact O-CD1 3.3Å; E723-L727 WeakPolarHBondContact O-CG 3.41Å; E723-L727 PolarHBondContact O-N 2.89Å
724E33.5Very low33.6Very low144 Ų144114.7 Ų114.767%0.67362%0.618SS**Hα-helixtrans-73-35.1174-94.4-176.4157.300113.2H720 L727 V728H720-E724 PolarHBondContact O-N 2.83Å; E724-L727 PolarHBondContact O-N 2.84Å; E724-V728 WeakPolarHBondContact O-CG2 3.26Å; E724-V728 PolarHBondContact O-N 2.86Å
725A32.3Very low33.7Very low59 Ų59116.9 Ų116.949%0.48862%0.624SS.*Hα-helixtrans-66.2-39.7173.700000111.8Q721 V728 E729Q721-A725 VanDerWaalsContact O-CB 3.25Å; Q721-A725 WeakPolarHBondContact O-CB 3.35Å; Q721-A725 PolarHBondContact O-N 3.49Å; Q721-A725 VanDerWaalsContact O-N 3.17Å; A725-V728 PolarHBondContact O-N 3.22Å; A725-E729 WeakPolarHBondContact O-CB 3.49Å; A725-E729 PolarHBondContact O-N 3.09Å
726S32.6Very low33.9Very low52 Ų52119.6 Ų119.636%0.36463%0.628SS.*Hα-helixtrans-73.3-23.5175.958.70000113.8L722 E723 R730L722-S726 WeakPolarHBondContact O-CB 3.48Å; L722-S726 PolarHBondContact O-N 2.97Å; L722-S726 PolarHBondContact O-OG 3.16Å; E723-S726 WeakPolarHBondContact CA-OG 3.41Å; E723-S726 PolarHBondContact O-OG 2.74Å; E723-S726 VanDerWaalsContact O-OG 3.06Å; S726-R730 VanDerWaalsContact O-CB 3.24Å; S726-R730 WeakPolarHBondContact O-CB 3.48Å; S726-R730 PolarHBondContact O-N 3.13Å; S726-R730 VanDerWaalsContact O-N 3.14Å
727L35Very low34.2Very low94 Ų94120.9 Ų120.949%0.49262%0.624SS.*Hα-helixtrans-79.9-27.7173.2-89.7158000113.6E723 E724 K731E723-L727 WeakPolarHBondContact O-CB 3.29Å; E723-L727 WeakPolarHBondContact O-CD1 3.3Å; E723-L727 WeakPolarHBondContact O-CG 3.41Å; E723-L727 PolarHBondContact O-N 2.89Å; E724-L727 PolarHBondContact O-N 2.84Å; L727-K731 PolarHBondContact O-N 3.23Å
728V37.3Very low34.2Very low88 Ų88122.1 Ų122.153%0.53362%0.618SS.*Hα-helixtrans-77.6-42.8172.71740000110.2E724 A725 R730 K731 E732E724-V728 WeakPolarHBondContact O-CG2 3.26Å; E724-V728 PolarHBondContact O-N 2.86Å; A725-V728 PolarHBondContact O-N 3.22Å; V728-R730 VanDerWaalsContact C-N 3.3Å; V728-R730 PolarHBondContact O-N 3.43Å; V728-K731 PolarHBondContact O-N 3.01Å; V728-K731 VanDerWaalsContact O-N 3.08Å; V728-E732 PolarHBondContact O-N 2.66Å
729E33.3Very low34.1Very low136 Ų136122.5 Ų122.564%0.63662%0.615SS**Hα-helixtrans-65.4-32.3176.2-156.3167.4-173.600112A725 K731 L733A725-E729 WeakPolarHBondContact O-CB 3.49Å; A725-E729 PolarHBondContact O-N 3.09Å; E729-K731 VanDerWaalsContact C-N 3.33Å; E729-K731 PolarHBondContact O-N 2.89Å; E729-L733 WeakPolarHBondContact O-CD1 3.38Å
730R33.3Very low34.5Very low166 Ų166123 Ų12363%0.62662%0.618SS**Hα-helixtrans-73.9-18.4173.8-154.7-177.5-67.3-1384.8113.8S726 V728S726-R730 VanDerWaalsContact O-CB 3.24Å; S726-R730 WeakPolarHBondContact O-CB 3.48Å; S726-R730 PolarHBondContact O-N 3.13Å; S726-R730 VanDerWaalsContact O-N 3.14Å; V728-R730 VanDerWaalsContact C-N 3.3Å; V728-R730 PolarHBondContact O-N 3.43Å
731K38.5Very low34.7Very low154 Ų154123.4 Ų123.467%0.6762%0.624SS**Hα-helixtrans-91.9-21.5176.3-83.7-178.1178.8173.60113.8L727 V728 E729L727-K731 PolarHBondContact O-N 3.23Å; V728-K731 PolarHBondContact O-N 3.01Å; V728-K731 VanDerWaalsContact O-N 3.08Å; E729-K731 VanDerWaalsContact C-N 3.33Å; E729-K731 PolarHBondContact O-N 2.89Å
732E37.2Very low35.3Very low155 Ų155122.3 Ų122.372%0.72463%0.628SS**Hα-helixtrans-84.6-14.3175.4-68.7-164.515800113.5V728 P735V728-E732 PolarHBondContact O-N 2.66Å; E732-P735 WeakPolarHBondContact O-CD 3.24Å
733L34.4Very low35.3Very low118 Ų118128.1 Ų128.162%0.61865%0.651SS**SBendtrans-86.8-18.3172.4-95.7111.4000115.2E729E729-L733 WeakPolarHBondContact O-CD1 3.38Å
734E36.8Very low35.3Very low117 Ų117129 Ų12955%0.54766%0.657SS.*THydrogen-bonded Turntrans-69.4-17.8178.7-91.9-164.6116.500117.1
735P35.3Very low35.4Very low90 Ų90128.2 Ų128.258%0.58466%0.657SS**THydrogen-bonded Turntrans-80.6-24.9175.1-9.126.1000114.1E732E732-P735 WeakPolarHBondContact O-CD 3.24Å
736E33.1Very low35.5Very low158 Ų158132 Ų13274%0.73867%0.666SS**THydrogen-bonded Turntrans-83.4-28.3-178-85.7-165.7144.800113.3K738 A739E736-K738 VanDerWaalsContact C-N 3.34Å; E736-K738 PolarHBondContact O-N 2.89Å; E736-A739 PolarHBondContact O-N 3.24Å
737E35.3Very low35.7Very low146 Ų146136.7 Ų136.768%0.68268%0.684SS**THydrogen-bonded Turntrans-78.3-18-179.2-155.4173.5-177.700113.2
738K35.1Very low35.8Very low156 Ų156139.4 Ų139.468%0.67870%0.696SS**THydrogen-bonded Turntrans-85.9-7.6175.9-77.5177.6-178.6161.10114.5E736E736-K738 VanDerWaalsContact C-N 3.34Å; E736-K738 PolarHBondContact O-N 2.89Å
739A35.3Very low35.7Very low69 Ų69142.8 Ų142.857%0.5771%0.707SS**THydrogen-bonded Turntrans-90.9-18.9176.500000113.7E736E736-A739 PolarHBondContact O-N 3.24Å
740N36.3Very low35.8Very low146 Ų146143.3 Ų143.378%0.78171%0.712SS**SBendtrans-100.711.6-177.4-84.4-13.7000115.2
741L37.4Very low36Very low143 Ų143141.5 Ų141.575%0.74972%0.718SS**SBendtrans-115.414.3178.7-96.9146.8000114.1
742T41Very low35.8Very low125 Ų125140.5 Ų140.577%0.76772%0.722SS**  trans-131.548.8169.342.50000112.3
743Q32.6Very low35.7Very low263 Ų263139.2 Ų139.2100%1.22972%0.722SS**  trans-140.80157.3-130.8177.77.700111.1

Retrieved 743 of 743 residues in 183.4 ms (Link to these results)

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