A0A077YXT9_TRITR Loading...

Defective in cullin neddylation protein

Neddylation of cullins play an essential role in the regulation of SCF-type complexes activity.

AlphaFold DB , UniProt , Accession A0A077YXT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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
1M48.1Very low80.6Confident206 Ų206125.2 Ų125.2100%1.01557%0.574SS**  0103.40-150.2-178.1-136.300107.4K3M1-K3 PolarHBondContact O-N 3.42Å
2Y59.4Low81.2Confident215 Ų215116.6 Ų116.684%0.84354%0.537SS*.PPolyproline II helixtrans-67121.7-179.2-77.6-87.1000109.9
3K76.7Confident81.5Confident203 Ų203121.8 Ų121.888%0.88355%0.55SS*.PPolyproline II helixtrans-72.5130.5173.7-76.6-177.9177.5177.20109.3M1M1-K3 PolarHBondContact O-N 3.42Å
4L82.8Confident82Confident59 Ų59116.2 Ų116.231%0.30953%0.532SS..PPolyproline II helixtrans-68135.7174.9-64.6177.7000110.9Q8 K9 V12 V36 W44L4-Q8 HydrophobicContact CB-CB 4.13Å; L4-Q8 HydrophobicContact CD2-CB 4.26Å; L4-K9 HydrophobicContact CB-CG 4.01Å; L4-V12 HydrophobicContact CD1-CG2 4.34Å; L4-V36 HydrophobicContact CD1-CG2 3.94Å; L4-W44 HydrophobicContact CD1-CH2 4.44Å; L4-W44 HydrophobicContact CD2-CH2 3.46Å; L4-W44 VanDerWaalsContact CD2-CH2 3.46Å; L4-W44 HydrophobicContact CD2-CZ2 3.73Å
5K88.1Confident82.4Confident151 Ų151108.5 Ų108.566%0.65750%0.497SS*.PPolyproline II helixtrans-64160.1170.3-63.2-177.5-179.7-179.20110.5S7 Q8 K9K5-S7 VanDerWaalsContact C-N 3.33Å; K5-S7 PolarHBondContact O-N 3.41Å; K5-Q8 HydrophobicContact CB-CB 4.49Å; K5-Q8 HydrophobicContact CB-CG 4.23Å; K5-Q8 WeakPolarHBondContact O-CB 3.42Å; K5-Q8 PolarHBondContact O-N 3.29Å; K5-K9 PolarHBondContact O-N 3.37Å; K5-K9 VanDerWaalsContact O-N 3.11Å
6H85.6Confident82.5Confident139 Ų139104.2 Ų104.264%0.64448%0.481SS*.Hα-helixtrans-53-50177.6-172-75.2000112.2Q8 K9 E10H6-Q8 PolarHBondContact O-N 3.09Å; H6-K9 WeakPolarHBondContact O-CB 3.39Å; H6-K9 PolarHBondContact O-N 3.12Å; H6-E10 VanDerWaalsContact CE1-CD 3.5Å; H6-E10 IonicContact CE1-OE1 2.72Å; H6-E10 PolarHBondContact CE1-OE1 3.3Å; H6-E10 IonicContact CE1-OE2 3.89Å; H6-E10 IonicContact ND1-OE1 3.97Å; H6-E10 IonicContact ND1-OE2 3.74Å; H6-E10 PolarHBondContact ND1-OE2 3.37Å; H6-E10 PolarHBondContact O-N 3.04Å; H6-E10 VanDerWaalsContact O-N 3.16Å
7S88.6Confident82.5Confident63 Ų63106.5 Ų106.544%0.44149%0.492SS..Hα-helixtrans-59.7-30.5178.156.40000113.8K5 K11K5-S7 VanDerWaalsContact C-N 3.33Å; K5-S7 PolarHBondContact O-N 3.41Å; S7-K11 WeakPolarHBondContact O-CG 3.39Å; S7-K11 PolarHBondContact O-N 3.44Å
8Q90.3Very high82.5Confident40 Ų40105.9 Ų105.919%0.18749%0.493CS..Hα-helixtrans-73.5-38176-71.5178.8-41.800111.6L4 K5 H6 E10 K11 V12 W44L4-Q8 HydrophobicContact CB-CB 4.13Å; L4-Q8 HydrophobicContact CD2-CB 4.26Å; K5-Q8 HydrophobicContact CB-CB 4.49Å; K5-Q8 HydrophobicContact CB-CG 4.23Å; K5-Q8 WeakPolarHBondContact O-CB 3.42Å; K5-Q8 PolarHBondContact O-N 3.29Å; H6-Q8 PolarHBondContact O-N 3.09Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; Q8-K11 PolarHBondContact O-N 3.25Å; Q8-V12 WeakPolarHBondContact O-CG2 3.37Å; Q8-V12 PolarHBondContact O-N 2.94Å; Q8-W44 HydrophobicContact CB-CD2 4.39Å; Q8-W44 HydrophobicContact CB-CE3 3.77Å; Q8-W44 HydrophobicContact CB-CH2 3.64Å; Q8-W44 HydrophobicContact CB-CZ2 4.25Å; Q8-W44 HydrophobicContact CB-CZ3 3.36Å; Q8-W44 HydrophobicContact CG-CD2 3.76Å; Q8-W44 HydrophobicContact CG-CE3 3.61Å; Q8-W44 HydrophobicContact CG-CH2 3.9Å; Q8-W44 HydrophobicContact CG-CZ2 4.02Å; Q8-W44 HydrophobicContact CG-CZ3 3.69Å; Q8-W44 WeakPolarHBondContact O-CZ3 3.38Å
9K87.2Confident82.4Confident128 Ų128100.9 Ų100.956%0.55747%0.47SS*.Hα-helixtrans-65-38.7176.4-65.3-179-177.1-179.50112L4 K5 H6 V12 R13L4-K9 HydrophobicContact CB-CG 4.01Å; K5-K9 PolarHBondContact O-N 3.37Å; K5-K9 VanDerWaalsContact O-N 3.11Å; H6-K9 WeakPolarHBondContact O-CB 3.39Å; H6-K9 PolarHBondContact O-N 3.12Å; K9-V12 PolarHBondContact O-N 3.22Å; K9-R13 PolarHBondContact O-N 3.21Å
10E88.8Confident81.8Confident95 Ų95104.2 Ų104.244%0.44449%0.485SS..Hα-helixtrans-61.8-47.5174.5-71.5173144.900111.1H6 Q8 V12 R13 S14H6-E10 VanDerWaalsContact CE1-CD 3.5Å; H6-E10 IonicContact CE1-OE1 2.72Å; H6-E10 PolarHBondContact CE1-OE1 3.3Å; H6-E10 IonicContact CE1-OE2 3.89Å; H6-E10 IonicContact ND1-OE1 3.97Å; H6-E10 IonicContact ND1-OE2 3.74Å; H6-E10 PolarHBondContact ND1-OE2 3.37Å; H6-E10 PolarHBondContact O-N 3.04Å; H6-E10 VanDerWaalsContact O-N 3.16Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; E10-V12 VanDerWaalsContact C-N 3.31Å; E10-V12 PolarHBondContact O-N 3.33Å; E10-R13 WeakPolarHBondContact O-CB 3.27Å; E10-R13 PolarHBondContact O-N 3.34Å; E10-R13 VanDerWaalsContact O-N 3.08Å; E10-S14 PolarHBondContact O-N 2.86Å; E10-S14 PolarHBondContact O-OG 3.15Å
11K91Very high81.1Confident78 Ų7899.4 Ų99.434%0.33946%0.464SS..Hα-helixtrans-60.8-38.4176.4-70.8179.9177.7-176.20112.9S7 Q8 S14 F15 L39 W44S7-K11 WeakPolarHBondContact O-CG 3.39Å; S7-K11 PolarHBondContact O-N 3.44Å; Q8-K11 PolarHBondContact O-N 3.25Å; K11-S14 PolarHBondContact O-N 2.55Å; K11-F15 VanDerWaalsContact O-CB 3.26Å; K11-F15 WeakPolarHBondContact O-CB 3.06Å; K11-F15 PolarHBondContact O-N 2.87Å; K11-L39 HydrophobicContact CB-CD1 4.14Å; K11-L39 HydrophobicContact CB-CD2 4.34Å; K11-W44 HydrophobicContact CB-CE3 4.36Å; K11-W44 HydrophobicContact CD-CB 4.25Å; K11-W44 HydrophobicContact CD-CE3 4.41Å; K11-W44 WeakPolarHBondContact CD-O 3.43Å; K11-W44 VanDerWaalsContact CE-O 3.3Å; K11-W44 WeakPolarHBondContact CE-O 3.49Å; K11-W44 PolarHBondContact NZ-O 3.39Å
12V88Confident81.6Confident22 Ų2292.9 Ų92.913%0.13344%0.438CS..Hα-helixtrans-61.3-45.4173.3170.20000110.7L4 Q8 K9 E10 F15 V16 A35 V36 L39 W44L4-V12 HydrophobicContact CD1-CG2 4.34Å; Q8-V12 WeakPolarHBondContact O-CG2 3.37Å; Q8-V12 PolarHBondContact O-N 2.94Å; K9-V12 PolarHBondContact O-N 3.22Å; E10-V12 VanDerWaalsContact C-N 3.31Å; E10-V12 PolarHBondContact O-N 3.33Å; V12-F15 PolarHBondContact O-N 3.41Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.42Å; V12-V16 PolarHBondContact O-N 3.49Å; V12-A35 HydrophobicContact CG1-CB 4.01Å; V12-V36 HydrophobicContact CG2-CG2 3.75Å; V12-L39 HydrophobicContact CB-CD1 4.29Å; V12-L39 HydrophobicContact CG2-CD1 3.7Å; V12-W44 HydrophobicContact CG2-CH2 4.3Å; V12-W44 HydrophobicContact CG2-CZ3 3.98Å
13R85.3Confident81.3Confident184 Ų18489.7 Ų89.769%0.69443%0.431SS*.Hα-helixtrans-62-47.8177.9-170.6-174-67.2157.5-3111.4K9 E10 F15 V16 Q17K9-R13 PolarHBondContact O-N 3.21Å; E10-R13 WeakPolarHBondContact O-CB 3.27Å; E10-R13 PolarHBondContact O-N 3.34Å; E10-R13 VanDerWaalsContact O-N 3.08Å; R13-F15 PolarHBondContact O-N 3.08Å; R13-V16 PolarHBondContact O-N 3.41Å; R13-Q17 WeakPolarHBondContact O-CB 3.32Å; R13-Q17 PolarHBondContact O-N 2.63Å
14S88.7Confident80Confident44 Ų4489 Ų8931%0.30843%0.428SS..Hα-helixtrans-62.1-42.3177.4-56.70000112E10 K11 Q17 L18E10-S14 PolarHBondContact O-N 2.86Å; E10-S14 PolarHBondContact O-OG 3.15Å; K11-S14 PolarHBondContact O-N 2.55Å; S14-Q17 PolarHBondContact O-N 2.85Å; S14-L18 WeakPolarHBondContact O-CB 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.35Å; S14-L18 PolarHBondContact O-N 2.95Å
15F87.7Confident78.3Confident0 Ų088.7 Ų88.70%043%0.429CS..Hα-helixtrans-61.3-46.7177-176.1-83000111.6K11 V12 R13 Q17 L18 T19 A21 A35 C38 L39 L46 A49 Y53K11-F15 VanDerWaalsContact O-CB 3.26Å; K11-F15 WeakPolarHBondContact O-CB 3.06Å; K11-F15 PolarHBondContact O-N 2.87Å; V12-F15 PolarHBondContact O-N 3.41Å; R13-F15 PolarHBondContact O-N 3.08Å; F15-Q17 VanDerWaalsContact C-N 3.28Å; F15-Q17 PolarHBondContact O-N 3.33Å; F15-L18 PolarHBondContact O-N 3.04Å; F15-T19 HydrophobicContact CD1-CG2 4.15Å; F15-T19 WeakPolarHBondContact CD1-OG1 3.4Å; F15-T19 HydrophobicContact CD2-CG2 4.24Å; F15-T19 HydrophobicContact CE1-CG2 3.82Å; F15-T19 WeakPolarHBondContact CE1-OG1 3.41Å; F15-T19 HydrophobicContact CE2-CG2 3.92Å; F15-T19 HydrophobicContact CG-CG2 4.36Å; F15-T19 HydrophobicContact CZ-CG2 3.71Å; F15-T19 WeakPolarHBondContact O-CB 3.34Å; F15-T19 WeakPolarHBondContact O-CG2 3.26Å; F15-T19 PolarHBondContact O-N 3.26Å; F15-T19 PolarHBondContact O-OG1 2.68Å; F15-A21 HydrophobicContact CE1-CB 4.1Å; F15-A35 HydrophobicContact CD1-CB 3.54Å; F15-A35 HydrophobicContact CE1-CB 4.13Å; F15-A35 HydrophobicContact CG-CB 4.29Å; F15-C38 HydrophobicContact CE1-CB 4.4Å; F15-C38 HydrophobicContact CE2-CB 4.1Å; F15-C38 HydrophobicContact CZ-CB 3.73Å; F15-L39 HydrophobicContact CB-CD1 4.05Å; F15-L39 HydrophobicContact CB-CG 4.4Å; F15-L39 HydrophobicContact CD2-CD2 4.26Å; F15-L39 HydrophobicContact CD2-CG 4.26Å; F15-L39 HydrophobicContact CG-CD1 4.47Å; F15-L39 HydrophobicContact CG-CG 4.4Å; F15-L46 HydrophobicContact CB-CD1 3.75Å; F15-L46 HydrophobicContact CD2-CD1 4.2Å; F15-L46 HydrophobicContact CG-CD1 4.49Å; F15-A49 HydrophobicContact CD2-CB 4.01Å; F15-A49 HydrophobicContact CE2-CB 3.78Å; F15-Y53 HydrophobicContact CE1-CD2 4.31Å; F15-Y53 AromaticContact CZ-CD2 3.8Å; F15-Y53 HydrophobicContact CZ-CD2 3.8Å; F15-Y53 HydrophobicContact CZ-CE2 4.47Å; F15-Y53 AromaticContact CZ-CG 3.86Å; F15-Y53 HydrophobicContact CZ-CG 3.86Å
16V83.1Confident76Confident40 Ų4090.7 Ų90.724%0.24244%0.442CS..Hα-helixtrans-61.7-38.9177.1171.10000111V12 R13 H20 A35V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.42Å; V12-V16 PolarHBondContact O-N 3.49Å; R13-V16 PolarHBondContact O-N 3.41Å; V16-H20 WeakPolarHBondContact O-CA 3.5Å; V16-H20 PolarHBondContact O-N 3.35Å; V16-A35 HydrophobicContact CG2-CB 3.82Å
17Q82.4Confident74Confident144 Ų14492.1 Ų92.167%0.67345%0.449SS*.Hα-helixtrans-66.3-39177.1-171176.6-0.800112.7R13 S14 F15R13-Q17 WeakPolarHBondContact O-CB 3.32Å; R13-Q17 PolarHBondContact O-N 2.63Å; S14-Q17 PolarHBondContact O-N 2.85Å; F15-Q17 VanDerWaalsContact C-N 3.28Å; F15-Q17 PolarHBondContact O-N 3.33Å
18L84.2Confident71.6Confident96 Ų9694.5 Ų94.550%0.50346%0.457SS..Hα-helixtrans-79.4-35.2-178.6-71.2171.6000113.4S14 F15 L46S14-L18 WeakPolarHBondContact O-CB 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.35Å; S14-L18 PolarHBondContact O-N 2.95Å; F15-L18 PolarHBondContact O-N 3.04Å; L18-L46 HydrophobicContact CD1-CD1 4.34Å; L18-L46 HydrophobicContact CD1-CD2 3.94Å; L18-L46 HydrophobicContact CD1-CG 4.17Å
19T79.4Confident69.3Low10 Ų10103.8 Ų103.86%0.06150%0.497CS..Hα-helixtrans-100.5-14.7-171.859.90000113.9F15 A21 Y53 F54F15-T19 HydrophobicContact CD1-CG2 4.15Å; F15-T19 WeakPolarHBondContact CD1-OG1 3.4Å; F15-T19 HydrophobicContact CD2-CG2 4.24Å; F15-T19 HydrophobicContact CE1-CG2 3.82Å; F15-T19 WeakPolarHBondContact CE1-OG1 3.41Å; F15-T19 HydrophobicContact CE2-CG2 3.92Å; F15-T19 HydrophobicContact CG-CG2 4.36Å; F15-T19 HydrophobicContact CZ-CG2 3.71Å; F15-T19 WeakPolarHBondContact O-CB 3.34Å; F15-T19 WeakPolarHBondContact O-CG2 3.26Å; F15-T19 PolarHBondContact O-N 3.26Å; F15-T19 PolarHBondContact O-OG1 2.68Å; T19-A21 PolarHBondContact O-N 2.88Å; T19-A21 VanDerWaalsContact OG1-CB 3.28Å; T19-A21 WeakPolarHBondContact OG1-CB 3.3Å; T19-A21 PolarHBondContact OG1-N 2.85Å; T19-Y53 HydrophobicContact CG2-CD1 3.67Å; T19-Y53 HydrophobicContact CG2-CE1 4.02Å; T19-Y53 HydrophobicContact CG2-CG 4.17Å; T19-F54 HydrophobicContact CG2-CE2 4.18Å; T19-F54 HydrophobicContact CG2-CZ 4.06Å
20H71.6Confident67.2Low167 Ų167101 Ų10177%0.77349%0.493SS*.  trans52.220.9-166.8-58-74000113.5V16 S22V16-H20 WeakPolarHBondContact O-CA 3.5Å; V16-H20 PolarHBondContact O-N 3.35Å; H20-S22 PolarHBondContact O-N 3.47Å
21A65.6Low65.3Low4 Ų4107.8 Ų107.83%0.03352%0.515CS..  trans-59.6131.917900000110F15 T19 E23 V34 Y53F15-A21 HydrophobicContact CE1-CB 4.1Å; T19-A21 PolarHBondContact O-N 2.88Å; T19-A21 VanDerWaalsContact OG1-CB 3.28Å; T19-A21 WeakPolarHBondContact OG1-CB 3.3Å; T19-A21 PolarHBondContact OG1-N 2.85Å; A21-E23 PolarHBondContact O-N 2.7Å; A21-V34 HydrophobicContact CB-CG1 4.49Å; A21-Y53 HydrophobicContact CB-CE2 4Å; A21-Y53 WeakPolarHBondContact CB-OH 3.22Å
22S59.3Low63.8Low69 Ų69110.1 Ų110.148%0.48352%0.521SS..  trans-59.9133.4-178.469.30000110.8H20 K24 V25H20-S22 PolarHBondContact O-N 3.47Å; S22-K24 PolarHBondContact O-N 3.05Å; S22-K24 VanDerWaalsContact O-N 3.11Å; S22-V25 WeakPolarHBondContact OG-CG2 3.31Å
23E53.9Low63Low148 Ų148110.3 Ų110.369%0.69252%0.523SS*.SBendtrans-67.8-12.8-178.1-154.1175.9-17000112.1A21A21-E23 PolarHBondContact O-N 2.7Å
24K47.9Very low62.5Low187 Ų187102 Ų10281%0.81349%0.493SS*.  trans-135.798.9-176.1-71.9176.1179172.40111.1S22S22-K24 PolarHBondContact O-N 3.05Å; S22-K24 VanDerWaalsContact O-N 3.11Å
25V48.4Very low62.2Low54 Ų54100 Ų10033%0.32748%0.479SS..  trans-102.9116.3160.9177.10000109S22 Q27 V34S22-V25 WeakPolarHBondContact OG-CG2 3.31Å; V25-Q27 VanDerWaalsContact C-N 3.28Å; V25-Q27 PolarHBondContact O-N 3.08Å; V25-V34 HydrophobicContact CB-CG2 3.86Å; V25-V34 HydrophobicContact CG2-CG2 3.36Å
26M39.7Very low62Low192 Ų192100.9 Ų100.995%0.94648%0.484SS*.THydrogen-bonded Turntrans-87.436.7-170.2-159.1-172.4-110.300112.8
27Q43.3Very low62Low169 Ų169102.6 Ų102.679%0.7949%0.489SS*.THydrogen-bonded Turntrans-136.32.9-175-70.4-160.715.200117.2V25V25-Q27 VanDerWaalsContact C-N 3.28Å; V25-Q27 PolarHBondContact O-N 3.08Å
28L37.5Very low62.1Low113 Ų11395.7 Ų95.759%0.59246%0.457SS*.SBendtrans-101128.5168.1-85.4137.9000109.4S30L28-S30 CarbonylContact O-C 3.52Å; L28-S30 PolarHBondContact O-N 3.49Å
29K43.2Very low62.4Low236 Ų23691.1 Ų91.1100%1.02643%0.433SS*.SBendtrans-55.89.9173.6-73.5179.5173.4178.10114.5
30S41.4Very low62.8Low69 Ų6994.9 Ų94.948%0.48345%0.453SS..SBendtrans-136.9120.7173-162.10000108.4L28 R32L28-S30 CarbonylContact O-C 3.52Å; L28-S30 PolarHBondContact O-N 3.49Å; S30-R32 PolarHBondContact O-N 3.25Å
31R49.8Very low63.5Low238 Ų23893.8 Ų93.890%0.89844%0.442SS*.  trans-59.871.6177.1-76.4178.2169.8178.6-3.1112.6
32R58.8Low64.7Low127 Ų12794.6 Ų94.648%0.47945%0.445SS..  trans-124.5129.2171.6-66.5-174.6179.2164.10.6108.3S30 V36S30-R32 PolarHBondContact O-N 3.25Å; R32-V36 HydrophobicContact CB-CB 4.45Å; R32-V36 HydrophobicContact CB-CG1 4.28Å; R32-V36 HydrophobicContact CG-CG1 4.41Å
33S71.1Confident66.2Low25 Ų2597.8 Ų97.818%0.17546%0.457CS..  trans-64.7155.1176.461.60000110.5A35 V36 F37S33-A35 PolarHBondContact O-N 3.11Å; S33-V36 PolarHBondContact O-N 2.93Å; S33-V36 WeakPolarHBondContact OG-CG2 3.08Å; S33-V36 PolarHBondContact OG-N 2.91Å; S33-F37 PolarHBondContact O-N 3.3Å; S33-F37 VanDerWaalsContact O-N 3.07Å
34V75.9Confident68Low10 Ų1092.2 Ų92.26%0.06143%0.43CS..Hα-helixtrans-53-40177.2175.20000111A21 V25 V36 F37 C38 Y53A21-V34 HydrophobicContact CB-CG1 4.49Å; V25-V34 HydrophobicContact CB-CG2 3.86Å; V25-V34 HydrophobicContact CG2-CG2 3.36Å; V34-V36 PolarHBondContact O-N 3.08Å; V34-F37 PolarHBondContact O-N 2.98Å; V34-C38 WeakPolarHBondContact O-CB 3.47Å; V34-C38 PolarHBondContact O-N 3.32Å; V34-Y53 HydrophobicContact CG1-CD2 4.44Å; V34-Y53 HydrophobicContact CG1-CE2 3.95Å
35A81.3Confident70.1Confident2 Ų291.1 Ų91.12%0.01742%0.42CS..Hα-helixtrans-56.4-47.7174.600000112.7V12 F15 V16 S33 F37 C38 L39V12-A35 HydrophobicContact CG1-CB 4.01Å; F15-A35 HydrophobicContact CD1-CB 3.54Å; F15-A35 HydrophobicContact CE1-CB 4.13Å; F15-A35 HydrophobicContact CG-CB 4.29Å; V16-A35 HydrophobicContact CG2-CB 3.82Å; S33-A35 PolarHBondContact O-N 3.11Å; A35-F37 VanDerWaalsContact C-N 3.34Å; A35-F37 PolarHBondContact O-N 3.43Å; A35-C38 PolarHBondContact O-N 3.41Å; A35-L39 VanDerWaalsContact O-CB 3.24Å; A35-L39 WeakPolarHBondContact O-CB 3.38Å; A35-L39 WeakPolarHBondContact O-CD1 3.49Å; A35-L39 VanDerWaalsContact O-CG 3.25Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 3.44Å
36V84.9Confident72.1Confident18 Ų1890.2 Ų90.211%0.10941%0.414CS..Hα-helixtrans-64.7-40.8178.4172.40000111L4 V12 R32 S33 V34 N40L4-V36 HydrophobicContact CD1-CG2 3.94Å; V12-V36 HydrophobicContact CG2-CG2 3.75Å; R32-V36 HydrophobicContact CB-CB 4.45Å; R32-V36 HydrophobicContact CB-CG1 4.28Å; R32-V36 HydrophobicContact CG-CG1 4.41Å; S33-V36 PolarHBondContact O-N 2.93Å; S33-V36 WeakPolarHBondContact OG-CG2 3.08Å; S33-V36 PolarHBondContact OG-N 2.91Å; V34-V36 PolarHBondContact O-N 3.08Å; V36-N40 WeakPolarHBondContact O-CB 3.41Å; V36-N40 PolarHBondContact O-N 2.96Å
37F82.1Confident74.6Confident76 Ų7686.8 Ų86.833%0.33340%0.399SS..Hα-helixtrans-65.8-46.2178.9178.3-102.4000111.9S33 V34 A35 N40 R41 Y60S33-F37 PolarHBondContact O-N 3.3Å; S33-F37 VanDerWaalsContact O-N 3.07Å; V34-F37 PolarHBondContact O-N 2.98Å; A35-F37 VanDerWaalsContact C-N 3.34Å; A35-F37 PolarHBondContact O-N 3.43Å; F37-N40 PolarHBondContact O-N 3.41Å; F37-R41 PolarHBondContact O-N 3.02Å; F37-R41 VanDerWaalsContact O-N 3.14Å; F37-Y60 AromaticContact CD1-CD1 3.72Å; F37-Y60 HydrophobicContact CD1-CD1 3.72Å; F37-Y60 HydrophobicContact CD1-CE1 4.11Å; F37-Y60 AromaticContact CE1-CD1 3.82Å; F37-Y60 HydrophobicContact CE1-CD1 3.82Å; F37-Y60 HydrophobicContact CE1-CE1 4.01Å
38C85.8Confident76.9Confident0 Ų080.4 Ų80.40%037%0.373CS..Hα-helixtrans-65.5-46.8179-166.10000111.9F15 V34 A35 N40 R41 N42 A49 Y60F15-C38 HydrophobicContact CE1-CB 4.4Å; F15-C38 HydrophobicContact CE2-CB 4.1Å; F15-C38 HydrophobicContact CZ-CB 3.73Å; V34-C38 WeakPolarHBondContact O-CB 3.47Å; V34-C38 PolarHBondContact O-N 3.32Å; A35-C38 PolarHBondContact O-N 3.41Å; C38-N40 VanDerWaalsContact C-N 3.35Å; C38-N40 PolarHBondContact O-N 3.48Å; C38-R41 PolarHBondContact O-N 2.87Å; C38-N42 PolarHBondContact O-N 3.16Å; C38-N42 PolarHBondContact O-ND2 2.88Å; C38-A49 PolarHBondContact SG-O 3.41Å; C38-A49 VanDerWaalsContact SG-O 3.33Å; C38-Y60 HydrophobicContact CB-CD1 3.84Å; C38-Y60 HydrophobicContact CB-CE1 3.86Å
39L89.3Confident79.4Confident0 Ų075 Ų750%035%0.345CS..Hα-helixtrans-62.9-40.9176.9-74.1165.7000112K11 V12 F15 A35 R41 N42 D43 W44 L46 A49K11-L39 HydrophobicContact CB-CD1 4.14Å; K11-L39 HydrophobicContact CB-CD2 4.34Å; V12-L39 HydrophobicContact CB-CD1 4.29Å; V12-L39 HydrophobicContact CG2-CD1 3.7Å; F15-L39 HydrophobicContact CB-CD1 4.05Å; F15-L39 HydrophobicContact CB-CG 4.4Å; F15-L39 HydrophobicContact CD2-CD2 4.26Å; F15-L39 HydrophobicContact CD2-CG 4.26Å; F15-L39 HydrophobicContact CG-CD1 4.47Å; F15-L39 HydrophobicContact CG-CG 4.4Å; A35-L39 VanDerWaalsContact O-CB 3.24Å; A35-L39 WeakPolarHBondContact O-CB 3.38Å; A35-L39 WeakPolarHBondContact O-CD1 3.49Å; A35-L39 VanDerWaalsContact O-CG 3.25Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 3.44Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 2.91Å; L39-N42 CarbonylContact O-C 3.53Å; L39-N42 PolarHBondContact O-N 3.35Å; L39-D43 PolarHBondContact O-N 3.31Å; L39-W44 HydrophobicContact CB-CD2 4.25Å; L39-W44 HydrophobicContact CB-CE3 3.89Å; L39-W44 HydrophobicContact CB-CZ3 4.05Å; L39-W44 HydrophobicContact CD1-CE3 4.24Å; L39-W44 HydrophobicContact CD1-CZ3 3.99Å; L39-W44 WeakPolarHBondContact O-CA 3.44Å; L39-W44 PolarHBondContact O-N 2.85Å; L39-L46 HydrophobicContact CD2-CD1 4.33Å; L39-A49 HydrophobicContact CD2-CB 3.9Å; L39-A49 HydrophobicContact CG-CB 4.48Å
40N88.8Confident81.5Confident89 Ų8964.3 Ų64.348%0.47630%0.299SS..Hα-helixtrans-67.4-29.2179.5-169.161000112.9V36 F37 C38 N42 W44V36-N40 WeakPolarHBondContact O-CB 3.41Å; V36-N40 PolarHBondContact O-N 2.96Å; F37-N40 PolarHBondContact O-N 3.41Å; C38-N40 VanDerWaalsContact C-N 3.35Å; C38-N40 PolarHBondContact O-N 3.48Å; N40-N42 VanDerWaalsContact C-N 3.34Å; N40-W44 PolarHBondContact OD1-NE1 2.88Å
41R86Confident83.7Confident144 Ų14466.2 Ų66.254%0.54330%0.304SS..Hα-helixtrans-78.3-20.3177-169.7168.8179.2155.9-1.5113.3F37 C38 L39F37-R41 PolarHBondContact O-N 3.02Å; F37-R41 VanDerWaalsContact O-N 3.14Å; C38-R41 PolarHBondContact O-N 2.87Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 2.91Å
42N90.1Very high85.4Confident20 Ų2058 Ų5811%0.10728%0.277CS..THydrogen-bonded Turntrans-111.333.8-179-68.2-81000111.7C38 L39 N40 W44 R45 A49C38-N42 PolarHBondContact O-N 3.16Å; C38-N42 PolarHBondContact O-ND2 2.88Å; L39-N42 CarbonylContact O-C 3.53Å; L39-N42 PolarHBondContact O-N 3.35Å; N40-N42 VanDerWaalsContact C-N 3.34Å; N42-W44 PolarHBondContact O-N 3.5Å; N42-R45 WeakPolarHBondContact O-CB 3.36Å; N42-R45 PolarHBondContact O-N 3.28Å; N42-A49 HydrophobicContact CB-CB 3.91Å
43D90.6Very high86.6Confident136 Ų13653.1 Ų53.173%0.72726%0.259SS*.THydrogen-bonded Turntrans5033.6177.7-61.5-45.1000114.5L39 R45L39-D43 PolarHBondContact O-N 3.31Å; D43-R45 PolarHBondContact O-N 3.08Å
44W91.9Very high87.2Confident32 Ų3257.9 Ų57.912%0.12128%0.277CS..THydrogen-bonded Turntrans57.627.9-175.6-64.281.9000113.7L4 Q8 K11 V12 L39 N40 N42L4-W44 HydrophobicContact CD1-CH2 4.44Å; L4-W44 HydrophobicContact CD2-CH2 3.46Å; L4-W44 VanDerWaalsContact CD2-CH2 3.46Å; L4-W44 HydrophobicContact CD2-CZ2 3.73Å; Q8-W44 HydrophobicContact CB-CD2 4.39Å; Q8-W44 HydrophobicContact CB-CE3 3.77Å; Q8-W44 HydrophobicContact CB-CH2 3.64Å; Q8-W44 HydrophobicContact CB-CZ2 4.25Å; Q8-W44 HydrophobicContact CB-CZ3 3.36Å; Q8-W44 HydrophobicContact CG-CD2 3.76Å; Q8-W44 HydrophobicContact CG-CE3 3.61Å; Q8-W44 HydrophobicContact CG-CH2 3.9Å; Q8-W44 HydrophobicContact CG-CZ2 4.02Å; Q8-W44 HydrophobicContact CG-CZ3 3.69Å; Q8-W44 WeakPolarHBondContact O-CZ3 3.38Å; K11-W44 HydrophobicContact CB-CE3 4.36Å; K11-W44 HydrophobicContact CD-CB 4.25Å; K11-W44 HydrophobicContact CD-CE3 4.41Å; K11-W44 WeakPolarHBondContact CD-O 3.43Å; K11-W44 VanDerWaalsContact CE-O 3.3Å; K11-W44 WeakPolarHBondContact CE-O 3.49Å; K11-W44 PolarHBondContact NZ-O 3.39Å; V12-W44 HydrophobicContact CG2-CH2 4.3Å; V12-W44 HydrophobicContact CG2-CZ3 3.98Å; L39-W44 HydrophobicContact CB-CD2 4.25Å; L39-W44 HydrophobicContact CB-CE3 3.89Å; L39-W44 HydrophobicContact CB-CZ3 4.05Å; L39-W44 HydrophobicContact CD1-CE3 4.24Å; L39-W44 HydrophobicContact CD1-CZ3 3.99Å; L39-W44 WeakPolarHBondContact O-CA 3.44Å; L39-W44 PolarHBondContact O-N 2.85Å; N40-W44 PolarHBondContact OD1-NE1 2.88Å; N42-W44 PolarHBondContact O-N 3.5Å
45R92.8Very high87.5Confident163 Ų16360.7 Ų60.762%0.61530%0.296SS*.  trans-89116.7171.2-62.3177.965.8-179.4-1108.7N42 D43 A49N42-R45 WeakPolarHBondContact O-CB 3.36Å; N42-R45 PolarHBondContact O-N 3.28Å; D43-R45 PolarHBondContact O-N 3.08Å; R45-A49 VanDerWaalsContact O-CB 3.25Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 3.3Å
46L91.1Very high87.4Confident36 Ų3664.2 Ų64.219%0.18831%0.312CS..Hα-helixtrans-63.8-51.6-172.5-179.263.3000111.4F15 L18 L39 S48 A49 C50F15-L46 HydrophobicContact CB-CD1 3.75Å; F15-L46 HydrophobicContact CD2-CD1 4.2Å; F15-L46 HydrophobicContact CG-CD1 4.49Å; L18-L46 HydrophobicContact CD1-CD1 4.34Å; L18-L46 HydrophobicContact CD1-CD2 3.94Å; L18-L46 HydrophobicContact CD1-CG 4.17Å; L39-L46 HydrophobicContact CD2-CD1 4.33Å; L46-S48 PolarHBondContact O-N 3.19Å; L46-A49 PolarHBondContact O-N 3.32Å; L46-C50 PolarHBondContact O-N 2.99Å; L46-C50 PolarHBondContact O-SG 3.44Å
47D91.1Very high86.7Confident119 Ų11965 Ų6564%0.63632%0.318SS*.Hα-helixtrans-60.9-49.2-177-48.8-46000111.1A49 C50 D51D47-A49 VanDerWaalsContact C-N 3.3Å; D47-A49 PolarHBondContact O-N 2.9Å; D47-C50 PolarHBondContact O-N 3Å; D47-C50 VanDerWaalsContact O-N 3.14Å; D47-D51 PolarHBondContact O-N 3.33Å
48S91.8Very high86Confident36 Ų3666.2 Ų66.225%0.25233%0.325SS..Hα-helixtrans-61.1-37.1177.1-510000112.8L46 M52L46-S48 PolarHBondContact O-N 3.19Å; S48-M52 WeakPolarHBondContact O-CB 3.47Å; S48-M52 PolarHBondContact O-N 3.1Å
49A89.8Confident85.2Confident0 Ų070 Ų700%034%0.344CS..Hα-helixtrans-67.3-42.7175.400000111.7F15 C38 L39 N42 R45 L46 D47 M52 Y53F15-A49 HydrophobicContact CD2-CB 4.01Å; F15-A49 HydrophobicContact CE2-CB 3.78Å; C38-A49 PolarHBondContact SG-O 3.41Å; C38-A49 VanDerWaalsContact SG-O 3.33Å; L39-A49 HydrophobicContact CD2-CB 3.9Å; L39-A49 HydrophobicContact CG-CB 4.48Å; N42-A49 HydrophobicContact CB-CB 3.91Å; R45-A49 VanDerWaalsContact O-CB 3.25Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 3.3Å; L46-A49 PolarHBondContact O-N 3.32Å; D47-A49 VanDerWaalsContact C-N 3.3Å; D47-A49 PolarHBondContact O-N 2.9Å; A49-M52 PolarHBondContact O-N 3.04Å; A49-Y53 VanDerWaalsContact O-CB 3.26Å; A49-Y53 WeakPolarHBondContact O-CB 3.37Å; A49-Y53 PolarHBondContact O-N 2.93Å
50C87.7Confident84.1Confident10 Ų1070.5 Ų70.57%0.06835%0.347CS..Hα-helixtrans-63.4-48.6176.3-72.20000111.1L46 D47 M52 Y53 F54L46-C50 PolarHBondContact O-N 2.99Å; L46-C50 PolarHBondContact O-SG 3.44Å; D47-C50 PolarHBondContact O-N 3Å; D47-C50 VanDerWaalsContact O-N 3.14Å; C50-M52 VanDerWaalsContact C-N 3.3Å; C50-M52 PolarHBondContact O-N 3.16Å; C50-Y53 WeakPolarHBondContact O-CB 3.2Å; C50-Y53 PolarHBondContact O-N 3.27Å; C50-Y53 VanDerWaalsContact O-N 3.13Å; C50-F54 HydrophobicContact CB-CD2 4.42Å; C50-F54 HydrophobicContact CB-CE2 4.28Å; C50-F54 WeakPolarHBondContact O-CD2 3.47Å; C50-F54 PolarHBondContact O-N 3.06Å
51D88.3Confident82.6Confident109 Ų10968.2 Ų68.258%0.58334%0.344SS*.Hα-helixtrans-56.3-46.1176.7-71-17.3000111D47 Y53 F54 S55D47-D51 PolarHBondContact O-N 3.33Å; D51-Y53 PolarHBondContact O-N 3.16Å; D51-F54 PolarHBondContact O-N 3.07Å; D51-S55 VanDerWaalsContact O-CB 3.26Å; D51-S55 WeakPolarHBondContact O-CB 3.32Å; D51-S55 PolarHBondContact O-N 3.49Å; D51-S55 PolarHBondContact O-OG 3.2Å
52M85.4Confident80.9Confident67 Ų6762.9 Ų62.933%0.3333%0.331SS..Hα-helixtrans-67.3-36.3179-167.564.663.700112.2S48 A49 C50 S55 H56 Y60S48-M52 WeakPolarHBondContact O-CB 3.47Å; S48-M52 PolarHBondContact O-N 3.1Å; A49-M52 PolarHBondContact O-N 3.04Å; C50-M52 VanDerWaalsContact C-N 3.3Å; C50-M52 PolarHBondContact O-N 3.16Å; M52-S55 VanDerWaalsContact CA-OG 3.32Å; M52-S55 WeakPolarHBondContact CA-OG 3.48Å; M52-S55 PolarHBondContact O-OG 3.02Å; M52-H56 WeakPolarHBondContact O-CB 3.25Å; M52-H56 PolarHBondContact O-N 2.91Å; M52-Y60 HydrophobicContact CG-CE2 3.9Å; M52-Y60 WeakPolarHBondContact CG-OH 3.13Å
53Y83.6Confident79Confident24 Ų2465 Ų659%0.09434%0.344CS..Hα-helixtrans-66.2-41.9176.2178-92.6000112.3F15 T19 A21 V34 A49 C50 D51 P57 Y60 A62F15-Y53 HydrophobicContact CE1-CD2 4.31Å; F15-Y53 AromaticContact CZ-CD2 3.8Å; F15-Y53 HydrophobicContact CZ-CD2 3.8Å; F15-Y53 HydrophobicContact CZ-CE2 4.47Å; F15-Y53 AromaticContact CZ-CG 3.86Å; F15-Y53 HydrophobicContact CZ-CG 3.86Å; T19-Y53 HydrophobicContact CG2-CD1 3.67Å; T19-Y53 HydrophobicContact CG2-CE1 4.02Å; T19-Y53 HydrophobicContact CG2-CG 4.17Å; A21-Y53 HydrophobicContact CB-CE2 4Å; A21-Y53 WeakPolarHBondContact CB-OH 3.22Å; V34-Y53 HydrophobicContact CG1-CD2 4.44Å; V34-Y53 HydrophobicContact CG1-CE2 3.95Å; A49-Y53 VanDerWaalsContact O-CB 3.26Å; A49-Y53 WeakPolarHBondContact O-CB 3.37Å; A49-Y53 PolarHBondContact O-N 2.93Å; C50-Y53 WeakPolarHBondContact O-CB 3.2Å; C50-Y53 PolarHBondContact O-N 3.27Å; C50-Y53 VanDerWaalsContact O-N 3.13Å; D51-Y53 PolarHBondContact O-N 3.16Å; Y53-P57 WeakPolarHBondContact O-CA 3.49Å; Y53-Y60 HydrophobicContact CD2-CD2 4.24Å; Y53-Y60 HydrophobicContact CD2-CG 4.26Å; Y53-A62 HydrophobicContact CD2-CB 4.06Å; Y53-A62 HydrophobicContact CE1-CB 4.32Å; Y53-A62 HydrophobicContact CE2-CB 3.25Å; Y53-A62 WeakPolarHBondContact OH-CB 3.36Å
54F82.2Confident77.1Confident125 Ų12562 Ų6255%0.54833%0.328SS..Hα-helixtrans-77.6-33.7179.2-69.8-59.3000113.4T19 C50 D51T19-F54 HydrophobicContact CG2-CE2 4.18Å; T19-F54 HydrophobicContact CG2-CZ 4.06Å; C50-F54 HydrophobicContact CB-CD2 4.42Å; C50-F54 HydrophobicContact CB-CE2 4.28Å; C50-F54 WeakPolarHBondContact O-CD2 3.47Å; C50-F54 PolarHBondContact O-N 3.06Å; D51-F54 PolarHBondContact O-N 3.07Å
55S83.2Confident75.2Confident68 Ų6868.6 Ų68.648%0.47636%0.358SS..Hα-helixtrans-76.5-29.4176.7530000113.1D51 M52D51-S55 VanDerWaalsContact O-CB 3.26Å; D51-S55 WeakPolarHBondContact O-CB 3.32Å; D51-S55 PolarHBondContact O-N 3.49Å; D51-S55 PolarHBondContact O-OG 3.2Å; M52-S55 VanDerWaalsContact CA-OG 3.32Å; M52-S55 WeakPolarHBondContact CA-OG 3.48Å; M52-S55 PolarHBondContact O-OG 3.02Å
56H79.3Confident73.5Confident76 Ų7666.6 Ų66.635%0.35236%0.355SS..  trans-136.660.5-176.7-65.2-68.1000113.5M52 E58 L59 Y60M52-H56 WeakPolarHBondContact O-CB 3.25Å; M52-H56 PolarHBondContact O-N 2.91Å; H56-E58 WeakPolarHBondContact CA-OE1 3.22Å; H56-E58 WeakPolarHBondContact CA-OE2 3.25Å; H56-E58 WeakPolarHBondContact CB-OE1 3.32Å; H56-E58 IonicContact CG-OE1 3.7Å; H56-E58 IonicContact ND1-OE1 3.22Å; H56-E58 PolarHBondContact ND1-OE1 2.95Å; H56-E58 PolarHBondContact O-N 3.46Å; H56-E58 VanDerWaalsContact O-N 3.11Å; H56-L59 HydrophobicContact CB-CB 4.37Å; H56-L59 HydrophobicContact CB-CD1 3.51Å; H56-L59 HydrophobicContact CB-CG 3.85Å; H56-L59 WeakPolarHBondContact O-CB 3.26Å; H56-L59 PolarHBondContact O-N 3.47Å; H56-Y60 WeakPolarHBondContact O-CD2 3.37Å
57P70Confident72.4Confident36 Ų3667.7 Ų67.723%0.23437%0.369CS..G310 helixtrans-60.7-23.6-17826.3-35.5000113.4Y53 L59 Y60 A62 T63Y53-P57 WeakPolarHBondContact O-CA 3.49Å; P57-L59 VanDerWaalsContact C-N 3.3Å; P57-L59 PolarHBondContact O-N 3.38Å; P57-Y60 PolarHBondContact O-N 3.28Å; P57-A62 HydrophobicContact CB-CB 3.94Å; P57-A62 WeakPolarHBondContact O-CB 3.35Å; P57-A62 PolarHBondContact O-N 3.47Å; P57-T63 HydrophobicContact CB-CG2 3.84Å; P57-T63 HydrophobicContact CG-CG2 4.02Å
58E68.1Low72Confident101 Ų10163.6 Ų63.647%0.47235%0.348SS..G310 helixtrans-63.2-30.617569.4-74.317400113.6H56 Y60H56-E58 WeakPolarHBondContact CA-OE1 3.22Å; H56-E58 WeakPolarHBondContact CA-OE2 3.25Å; H56-E58 WeakPolarHBondContact CB-OE1 3.32Å; H56-E58 IonicContact CG-OE1 3.7Å; H56-E58 IonicContact ND1-OE1 3.22Å; H56-E58 PolarHBondContact ND1-OE1 2.95Å; H56-E58 PolarHBondContact O-N 3.46Å; H56-E58 VanDerWaalsContact O-N 3.11Å; E58-Y60 VanDerWaalsContact C-N 3.28Å; E58-Y60 PolarHBondContact O-N 2.73Å
59L69.3Low71.9Confident78 Ų7864.6 Ų64.641%0.40835%0.351SS..G310 helixtrans-73.9-21.9-177.7-68178.9000113H56 P57H56-L59 HydrophobicContact CB-CB 4.37Å; H56-L59 HydrophobicContact CB-CD1 3.51Å; H56-L59 HydrophobicContact CB-CG 3.85Å; H56-L59 WeakPolarHBondContact O-CB 3.26Å; H56-L59 PolarHBondContact O-N 3.47Å; P57-L59 VanDerWaalsContact C-N 3.3Å; P57-L59 PolarHBondContact O-N 3.38Å
60Y65.5Low71.9Confident12 Ų1270.3 Ų70.35%0.04737%0.373CS..G310 helixtrans-110.35.2-171.1-60-70.2000112.8F37 C38 M52 Y53 H56 P57 E58 A62F37-Y60 AromaticContact CD1-CD1 3.72Å; F37-Y60 HydrophobicContact CD1-CD1 3.72Å; F37-Y60 HydrophobicContact CD1-CE1 4.11Å; F37-Y60 AromaticContact CE1-CD1 3.82Å; F37-Y60 HydrophobicContact CE1-CD1 3.82Å; F37-Y60 HydrophobicContact CE1-CE1 4.01Å; C38-Y60 HydrophobicContact CB-CD1 3.84Å; C38-Y60 HydrophobicContact CB-CE1 3.86Å; M52-Y60 HydrophobicContact CG-CE2 3.9Å; M52-Y60 WeakPolarHBondContact CG-OH 3.13Å; Y53-Y60 HydrophobicContact CD2-CD2 4.24Å; Y53-Y60 HydrophobicContact CD2-CG 4.26Å; H56-Y60 WeakPolarHBondContact O-CD2 3.37Å; P57-Y60 PolarHBondContact O-N 3.28Å; E58-Y60 VanDerWaalsContact C-N 3.28Å; E58-Y60 PolarHBondContact O-N 2.73Å; Y60-A62 PolarHBondContact O-N 3.45Å
61G57Low72.1Confident40 Ų4077.2 Ų77.241%0.41240%0.404SS..THydrogen-bonded Turntrans58.822.8-170.100000112.2
62A51.4Low72.5Confident33 Ų3377 Ų7727%0.27340%0.398SS..  trans-73.3-34-17700000111.5Y53 P57 Y60 D64Y53-A62 HydrophobicContact CD2-CB 4.06Å; Y53-A62 HydrophobicContact CE1-CB 4.32Å; Y53-A62 HydrophobicContact CE2-CB 3.25Å; Y53-A62 WeakPolarHBondContact OH-CB 3.36Å; P57-A62 HydrophobicContact CB-CB 3.94Å; P57-A62 WeakPolarHBondContact O-CB 3.35Å; P57-A62 PolarHBondContact O-N 3.47Å; Y60-A62 PolarHBondContact O-N 3.45Å; A62-D64 PolarHBondContact O-N 2.88Å
63T48.3Very low72.9Confident63 Ų6373.9 Ų73.939%0.38738%0.382SS..SBendtrans-84.696.9158.553.50000107P57 K65P57-T63 HydrophobicContact CB-CG2 3.84Å; P57-T63 HydrophobicContact CG-CG2 4.02Å; T63-K65 PolarHBondContact O-N 3.31Å
64D52Low73.4Confident74 Ų7475.6 Ų75.640%0.39639%0.391SS..  trans-59.7105.6149.3-173.8-2.3000103.8A62 H66 A67 R155A62-D64 PolarHBondContact O-N 2.88Å; D64-H66 PolarHBondContact O-N 3.22Å; D64-H66 WeakPolarHBondContact OD1-CA 3.44Å; D64-H66 VanDerWaalsContact OD1-CB 3.27Å; D64-H66 WeakPolarHBondContact OD1-CB 3.39Å; D64-H66 IonicContact OD1-CD2 2.95Å; D64-H66 IonicContact OD1-CG 3.56Å; D64-H66 PolarHBondContact OD1-N 3.41Å; D64-A67 HydrophobicContact CB-CB 3.98Å; D64-A67 WeakPolarHBondContact O-CB 3.5Å; D64-A67 PolarHBondContact O-N 3.18Å; D64-R155 IonicContact OD2-NH1 2.68Å
65K51.5Low74.1Confident170 Ų17072.5 Ų72.574%0.73939%0.389SS*.THydrogen-bonded Turntrans-58.1-12174.6-73-176.4176.5-179.10110.7T63T63-K65 PolarHBondContact O-N 3.31Å
66H58.1Low74.7Confident122 Ų12270.6 Ų70.657%0.56537%0.373SS*.THydrogen-bonded Turntrans-111.416.9173.7-47.2-67.8000113.1D64 V68D64-H66 PolarHBondContact O-N 3.22Å; D64-H66 WeakPolarHBondContact OD1-CA 3.44Å; D64-H66 VanDerWaalsContact OD1-CB 3.27Å; D64-H66 WeakPolarHBondContact OD1-CB 3.39Å; D64-H66 IonicContact OD1-CD2 2.95Å; D64-H66 IonicContact OD1-CG 3.56Å; D64-H66 PolarHBondContact OD1-N 3.41Å; H66-V68 PolarHBondContact O-N 3.2Å
67A67.3Low75.5Confident58 Ų5867 Ų6748%0.47936%0.356SS..  trans-57.3134.1168.600000108.5D64D64-A67 HydrophobicContact CB-CB 3.98Å; D64-A67 WeakPolarHBondContact O-CB 3.5Å; D64-A67 PolarHBondContact O-N 3.18Å
68V83.1Confident76.7Confident33 Ų3369 Ų6920%0.236%0.363CS..  trans-104.8121.7-177.9-167.70000106.5H66 R70 V73 L152 R155 D157H66-V68 PolarHBondContact O-N 3.2Å; V68-R70 PolarHBondContact O-N 3.42Å; V68-V73 HydrophobicContact CG1-CG2 3.93Å; V68-L152 HydrophobicContact CB-CD2 4.11Å; V68-L152 HydrophobicContact CG1-CD2 3.78Å; V68-R155 HydrophobicContact CG2-CB 3.52Å; V68-R155 HydrophobicContact CG2-CG 3.88Å; V68-D157 HydrophobicContact CG1-CB 3.78Å
69D88.8Confident78Confident57 Ų5770 Ų7031%0.30537%0.365SS..  trans-77.5105.7177.3-173.2-22.6000110.1Q71 K72 V73 D157D69-Q71 PolarHBondContact O-N 3.14Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.48Å; D69-Q71 PolarHBondContact OD1-N 2.9Å; D69-K72 HydrophobicContact CB-CB 4.06Å; D69-K72 HydrophobicContact CB-CD 3.83Å; D69-K72 HydrophobicContact CB-CG 3.92Å; D69-K72 PolarHBondContact O-N 3.48Å; D69-K72 PolarHBondContact OD1-N 3.18Å; D69-K72 VanDerWaalsContact OD2-CE 3.27Å; D69-K72 WeakPolarHBondContact OD2-CE 3.39Å; D69-K72 IonicContact OD2-NZ 3.54Å; D69-V73 WeakPolarHBondContact O-CG2 3.01Å; D69-V73 PolarHBondContact O-N 2.92Å; D69-V73 VanDerWaalsContact O-N 3.08Å; D69-D157 HydrophobicContact CB-CB 4.31Å; D69-D157 PolarHBondContact N-OD2 2.68Å; D69-D157 VanDerWaalsContact N-OD2 3.1Å
70R91Very high79.2Confident121 Ų12166.7 Ų66.746%0.45735%0.347SS..Hα-helixtrans-59.3-34.5178.9-176.6176.6177.499.28.7112.4V68 K72 V73 E74 L152V68-R70 PolarHBondContact O-N 3.42Å; R70-K72 VanDerWaalsContact C-N 3.33Å; R70-V73 PolarHBondContact O-N 3.13Å; R70-E74 HydrophobicContact CG-CG 4.36Å; R70-E74 IonicContact CZ-OE1 3.69Å; R70-E74 IonicContact NE-OE1 2.7Å; R70-E74 PolarHBondContact NE-OE1 3Å; R70-E74 IonicContact NH2-OE1 3.85Å; R70-E74 PolarHBondContact NH2-OE1 3.33Å; R70-E74 WeakPolarHBondContact O-CG 3.24Å; R70-E74 PolarHBondContact O-N 2.89Å; R70-L152 HydrophobicContact CB-CD2 4.21Å; R70-L152 HydrophobicContact CG-CD1 4.34Å; R70-L152 HydrophobicContact CG-CD2 4.48Å; R70-L152 VanDerWaalsContact NH1-CD1 3.27Å
71Q91.9Very high80.6Confident155 Ų15566.4 Ų66.472%0.72435%0.348SS*.Hα-helixtrans-68-37.8179.8-64.8-178-10.800110.9D69 E74 A75D69-Q71 PolarHBondContact O-N 3.14Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.48Å; D69-Q71 PolarHBondContact OD1-N 2.9Å; Q71-E74 PolarHBondContact O-N 3.01Å; Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 3.32Å
72K94.8Very high81.9Confident105 Ų10567.1 Ų67.146%0.45734%0.342SS..Hα-helixtrans-64.9-41.6172.5-69-178.9-168.9169.20112.1D69 R70 E74 A75 L76 D157D69-K72 HydrophobicContact CB-CB 4.06Å; D69-K72 HydrophobicContact CB-CD 3.83Å; D69-K72 HydrophobicContact CB-CG 3.92Å; D69-K72 PolarHBondContact O-N 3.48Å; D69-K72 PolarHBondContact OD1-N 3.18Å; D69-K72 VanDerWaalsContact OD2-CE 3.27Å; D69-K72 WeakPolarHBondContact OD2-CE 3.39Å; D69-K72 IonicContact OD2-NZ 3.54Å; R70-K72 VanDerWaalsContact C-N 3.33Å; K72-E74 VanDerWaalsContact C-N 3.34Å; K72-E74 PolarHBondContact O-N 3.33Å; K72-A75 PolarHBondContact O-N 3.01Å; K72-L76 WeakPolarHBondContact O-CG 3.4Å; K72-L76 PolarHBondContact O-N 2.95Å; K72-D157 HydrophobicContact CB-CB 4.1Å
73V95.4Very high83.1Confident0 Ų072.1 Ų72.10%036%0.36CS..Hα-helixtrans-61-44174.8175.10000111.2V68 D69 R70 L76 F77 V148 L151 L152 C156 D157V68-V73 HydrophobicContact CG1-CG2 3.93Å; D69-V73 WeakPolarHBondContact O-CG2 3.01Å; D69-V73 PolarHBondContact O-N 2.92Å; D69-V73 VanDerWaalsContact O-N 3.08Å; R70-V73 PolarHBondContact O-N 3.13Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 PolarHBondContact O-N 3.11Å; V73-F77 PolarHBondContact O-N 3.06Å; V73-V148 HydrophobicContact CG1-CB 4.21Å; V73-V148 HydrophobicContact CG1-CG1 3.99Å; V73-V148 HydrophobicContact CG1-CG2 4.26Å; V73-L151 HydrophobicContact CG1-CB 3.81Å; V73-L151 HydrophobicContact CG1-CD1 3.93Å; V73-L151 HydrophobicContact CG1-CG 4.5Å; V73-L151 HydrophobicContact CG2-CB 4.3Å; V73-L152 HydrophobicContact CG2-CD2 4.18Å; V73-C156 WeakPolarHBondContact CG2-O 3.37Å; V73-D157 HydrophobicContact CG2-CB 3.99Å
74E94.2Very high83.6Confident61 Ų6178.6 Ų78.629%0.28538%0.379SS..Hα-helixtrans-66.1-40.8176.7-72.7-179.9-178.300111.4R70 Q71 K72 L76 F77 E78 V148R70-E74 HydrophobicContact CG-CG 4.36Å; R70-E74 IonicContact CZ-OE1 3.69Å; R70-E74 IonicContact NE-OE1 2.7Å; R70-E74 PolarHBondContact NE-OE1 3Å; R70-E74 IonicContact NH2-OE1 3.85Å; R70-E74 PolarHBondContact NH2-OE1 3.33Å; R70-E74 WeakPolarHBondContact O-CG 3.24Å; R70-E74 PolarHBondContact O-N 2.89Å; Q71-E74 PolarHBondContact O-N 3.01Å; K72-E74 VanDerWaalsContact C-N 3.34Å; K72-E74 PolarHBondContact O-N 3.33Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.35Å; E74-F77 WeakPolarHBondContact O-CB 3.31Å; E74-F77 PolarHBondContact O-N 3.48Å; E74-F77 VanDerWaalsContact O-N 3.11Å; E74-E78 WeakPolarHBondContact O-CG 3.1Å; E74-E78 PolarHBondContact O-N 2.89Å; E74-V148 HydrophobicContact CG-CG1 4.4Å; E74-V148 HydrophobicContact CG-CG2 4.24Å
75A95Very high83.6Confident60 Ų6076.5 Ų76.550%0.49638%0.375SS..Hα-helixtrans-62.8-37.5174.100000112.7Q71 K72 F77 E78 K79Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 3.32Å; K72-A75 PolarHBondContact O-N 3.01Å; A75-F77 VanDerWaalsContact C-N 3.33Å; A75-E78 PolarHBondContact O-N 3.24Å; A75-K79 PolarHBondContact O-N 2.83Å; A75-K79 VanDerWaalsContact O-N 3.08Å
76L96Very high83.3Confident27 Ų2774.9 Ų74.914%0.14137%0.37CS..Hα-helixtrans-62.3-40.6171.6-76.8173.8000111.7K72 V73 E74 K79 Y80 F147 D157 I159K72-L76 WeakPolarHBondContact O-CG 3.4Å; K72-L76 PolarHBondContact O-N 2.95Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 PolarHBondContact O-N 3.11Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.35Å; L76-K79 WeakPolarHBondContact O-CB 3.3Å; L76-K79 PolarHBondContact O-N 2.85Å; L76-Y80 WeakPolarHBondContact O-CD2 3.34Å; L76-F147 HydrophobicContact CB-CE1 4.14Å; L76-F147 HydrophobicContact CB-CZ 4.41Å; L76-D157 WeakPolarHBondContact CD1-O 3.27Å; L76-I159 HydrophobicContact CD2-CD1 4.2Å; L76-I159 HydrophobicContact CD2-CG1 4.16Å
77F96.4Very high82.7Confident0 Ų076.4 Ų76.40%038%0.375CS..Hα-helixtrans-60.5-48.3174173.1-95.1000111V73 E74 A75 K79 Y80 A81 R104 I106 K144 F147 V148V73-F77 PolarHBondContact O-N 3.06Å; E74-F77 WeakPolarHBondContact O-CB 3.31Å; E74-F77 PolarHBondContact O-N 3.48Å; E74-F77 VanDerWaalsContact O-N 3.11Å; A75-F77 VanDerWaalsContact C-N 3.33Å; F77-K79 PolarHBondContact O-N 2.71Å; F77-Y80 PolarHBondContact O-N 2.86Å; F77-Y80 VanDerWaalsContact O-N 3.08Å; F77-A81 HydrophobicContact CD1-CB 4.15Å; F77-A81 HydrophobicContact CE1-CB 3.63Å; F77-A81 HydrophobicContact CE2-CB 4.32Å; F77-A81 HydrophobicContact CZ-CB 3.73Å; F77-A81 WeakPolarHBondContact O-CB 3.46Å; F77-A81 PolarHBondContact O-N 2.94Å; F77-R104 HydrophobicContact CE1-CB 4.12Å; F77-R104 HydrophobicContact CZ-CB 3.88Å; F77-I106 HydrophobicContact CD2-CD1 3.9Å; F77-I106 HydrophobicContact CD2-CG1 3.93Å; F77-I106 HydrophobicContact CE2-CD1 4.2Å; F77-I106 HydrophobicContact CE2-CG1 3.76Å; F77-K144 HydrophobicContact CD1-CB 4.49Å; F77-K144 HydrophobicContact CD1-CD 3.88Å; F77-K144 HydrophobicContact CD1-CG 3.85Å; F77-K144 HydrophobicContact CD2-CB 4.24Å; F77-K144 HydrophobicContact CD2-CG 4.11Å; F77-K144 HydrophobicContact CE1-CB 3.92Å; F77-K144 HydrophobicContact CE1-CD 3.6Å; F77-K144 HydrophobicContact CE1-CG 3.68Å; F77-K144 HydrophobicContact CE2-CB 3.63Å; F77-K144 HydrophobicContact CE2-CG 3.95Å; F77-K144 HydrophobicContact CG-CG 4.07Å; F77-K144 HydrophobicContact CZ-CB 3.44Å; F77-K144 VanDerWaalsContact CZ-CB 3.44Å; F77-K144 HydrophobicContact CZ-CD 4.08Å; F77-K144 HydrophobicContact CZ-CG 3.74Å; F77-F147 HydrophobicContact CB-CD1 3.7Å; F77-F147 HydrophobicContact CB-CE1 3.91Å; F77-F147 HydrophobicContact CD2-CB 3.92Å; F77-F147 AromaticContact CD2-CD1 3.95Å; F77-F147 HydrophobicContact CD2-CD1 3.95Å; F77-F147 HydrophobicContact CD2-CG 4.02Å; F77-F147 HydrophobicContact CG-CD1 4.33Å; F77-V148 HydrophobicContact CB-CG2 4.37Å
78E94.9Very high81.6Confident80 Ų8078.5 Ų78.537%0.37438%0.378SS..Hα-helixtrans-59.4-31.3179.8-62.9-55.3145.900112.7E74 A75 Y80 R104 K144E74-E78 WeakPolarHBondContact O-CG 3.1Å; E74-E78 PolarHBondContact O-N 2.89Å; A75-E78 PolarHBondContact O-N 3.24Å; E78-Y80 VanDerWaalsContact C-N 3.32Å; E78-Y80 PolarHBondContact O-N 2.9Å; E78-R104 IonicContact OE1-CZ 3.35Å; E78-R104 IonicContact OE1-NH1 3.12Å; E78-R104 PolarHBondContact OE1-NH1 3.48Å; E78-R104 IonicContact OE1-NH2 2.55Å; E78-R104 IonicContact OE2-CZ 3.62Å; E78-R104 IonicContact OE2-NH1 2.85Å; E78-R104 PolarHBondContact OE2-NH1 2.88Å; E78-R104 IonicContact OE2-NH2 3.82Å; E78-R104 PolarHBondContact OE2-NH2 3.01Å; E78-K144 IonicContact OE1-NZ 2.68Å; E78-K144 PolarHBondContact OE1-NZ 3.28Å
79K95.6Very high79.5Confident122 Ų12282.9 Ų82.953%0.5340%0.399SS..Hα-helixtrans-61.6-35.2175.8-178.7-177.8171.9-166.60113.4A75 L76 F77 D117A75-K79 PolarHBondContact O-N 2.83Å; A75-K79 VanDerWaalsContact O-N 3.08Å; L76-K79 WeakPolarHBondContact O-CB 3.3Å; L76-K79 PolarHBondContact O-N 2.85Å; F77-K79 PolarHBondContact O-N 2.71Å; K79-D117 WeakPolarHBondContact CE-OD2 3.36Å; K79-D117 IonicContact NZ-OD2 3.15Å; K79-D117 PolarHBondContact NZ-OD2 3.42Å
80Y95.2Very high77.6Confident7 Ų785.4 Ų85.43%0.02742%0.42CS..Hα-helixtrans-110-11.8-174.3-53-65.9000113.9L76 F77 E78 G110 A113 F114 D117 F147 I159L76-Y80 WeakPolarHBondContact O-CD2 3.34Å; F77-Y80 PolarHBondContact O-N 2.86Å; F77-Y80 VanDerWaalsContact O-N 3.08Å; E78-Y80 VanDerWaalsContact C-N 3.32Å; E78-Y80 PolarHBondContact O-N 2.9Å; Y80-G110 VanDerWaalsContact O-CA 3.28Å; Y80-G110 WeakPolarHBondContact O-CA 3.26Å; Y80-A113 HydrophobicContact CD1-CB 4.04Å; Y80-A113 HydrophobicContact CE1-CB 4.36Å; Y80-F114 HydrophobicContact CD1-CB 3.94Å; Y80-F114 HydrophobicContact CD2-CB 4.11Å; Y80-F114 AromaticContact CD2-CD2 3.94Å; Y80-F114 HydrophobicContact CD2-CD2 3.94Å; Y80-F114 HydrophobicContact CD2-CG 4.27Å; Y80-F114 HydrophobicContact CE1-CB 4.07Å; Y80-F114 HydrophobicContact CE2-CB 4.23Å; Y80-F114 AromaticContact CE2-CD2 3.48Å; Y80-F114 HydrophobicContact CE2-CD2 3.48Å; Y80-F114 VanDerWaalsContact CE2-CD2 3.48Å; Y80-F114 HydrophobicContact CE2-CE2 4.22Å; Y80-F114 HydrophobicContact CE2-CG 4.21Å; Y80-F114 HydrophobicContact CG-CB 3.97Å; Y80-F114 AromaticContact CZ-CD2 3.81Å; Y80-D117 PolarHBondContact OH-OD2 3.41Å; Y80-F147 HydrophobicContact CD2-CZ 4.25Å; Y80-I159 HydrophobicContact CE2-CD1 4.39Å
81A93.8Very high75.6Confident7 Ų783.7 Ų83.76%0.05843%0.431CS..SBendtrans-62.5147.6-177.100000112.4F77 Q83F77-A81 HydrophobicContact CD1-CB 4.15Å; F77-A81 HydrophobicContact CE1-CB 3.63Å; F77-A81 HydrophobicContact CE2-CB 4.32Å; F77-A81 HydrophobicContact CZ-CB 3.73Å; F77-A81 WeakPolarHBondContact O-CB 3.46Å; F77-A81 PolarHBondContact O-N 2.94Å; A81-Q83 PolarHBondContact O-N 2.81Å
82D86Confident73.2Confident54 Ų5480 Ų8029%0.28942%0.42SS..  trans-61.8122.1178.6-66.8-19.5000110.6Y84 K105 G107D82-Y84 VanDerWaalsContact C-N 3.27Å; D82-Y84 PolarHBondContact O-N 3.02Å; D82-K105 PolarHBondContact N-O 3.08Å; D82-G107 VanDerWaalsContact CG-N 3.31Å; D82-G107 WeakPolarHBondContact OD1-CA 3.18Å; D82-G107 PolarHBondContact OD1-N 2.88Å; D82-G107 WeakPolarHBondContact OD2-CA 3.44Å; D82-G107 PolarHBondContact OD2-N 2.96Å
83Q76.1Confident70.9Confident139 Ų13981.9 Ų81.965%0.6544%0.439SS*.THydrogen-bonded Turntrans-76.1-15.4179.5-62.1-178.311.200113A81 G85 Q86 F87A81-Q83 PolarHBondContact O-N 2.81Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.91Å; Q83-Q86 WeakPolarHBondContact O-CB 3.19Å; Q83-Q86 PolarHBondContact O-N 3.45Å; Q83-F87 PolarHBondContact O-N 3.13Å
84Y58.2Low68.2Low199 Ų19986.7 Ų86.778%0.7847%0.473SS*.Hα-helixtrans-63.6-28.4-174.4-77.6-80000113.7D82 Q86 L88D82-Y84 VanDerWaalsContact C-N 3.27Å; D82-Y84 PolarHBondContact O-N 3.02Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Y84-L88 PolarHBondContact O-N 3.25Å
85G51.5Low66.1Low30 Ų3091.6 Ų91.631%0.30950%0.501SS..Hα-helixtrans-66.5-25.5172.600000113.3Q83Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.91Å
86Q46Very low63.8Low136 Ų13696.1 Ų96.164%0.63651%0.511SS*.Hα-helixtrans-88-31-177.4-157.3157.31400112.3Q83 Y84Q83-Q86 WeakPolarHBondContact O-CB 3.19Å; Q83-Q86 PolarHBondContact O-N 3.45Å; Y84-Q86 PolarHBondContact O-N 2.81Å
87F44.5Very low61.2Low153 Ų153100.4 Ų100.467%0.67154%0.541SS*.Hα-helixtrans-78.1-32.7177.3-104.3-87.5000113.7Q83 L89 C90 A91Q83-F87 PolarHBondContact O-N 3.13Å; F87-L89 PolarHBondContact O-N 2.98Å; F87-C90 PolarHBondContact O-N 3.41Å; F87-C90 VanDerWaalsContact O-N 3.09Å; F87-A91 PolarHBondContact O-N 3.49Å
88L44.4Very low58.7Low103 Ų103106 Ų10654%0.53958%0.575SS.*Hα-helixtrans-63.8-29.3175.2-125.399.7000112.3Y84 C90 T92Y84-L88 PolarHBondContact O-N 3.25Å; L88-C90 PolarHBondContact O-N 3.36Å; L88-T92 PolarHBondContact O-N 3.47Å; L88-T92 PolarHBondContact O-OG1 3.15Å; L88-T92 VanDerWaalsContact O-OG1 3.04Å
89L40.4Very low56.4Low125 Ų125107.8 Ų107.865%0.65458%0.583SS**Hα-helixtrans-66.3-23.1175.4-115.2116.4000113.5F87F87-L89 PolarHBondContact O-N 2.98Å
90C48Very low54.3Low110 Ų110104.6 Ų104.674%0.74358%0.576SS**Hα-helixtrans-92.4-29.7-178.7-177.40000112.9F87 L88F87-C90 PolarHBondContact O-N 3.41Å; F87-C90 VanDerWaalsContact O-N 3.09Å; L88-C90 PolarHBondContact O-N 3.36Å
91A48.2Very low52.3Low84 Ų84108.8 Ų108.869%0.69461%0.606SS**Hα-helixtrans-100.9-12.1-170.300000115.3F87F87-A91 PolarHBondContact O-N 3.49Å
92T41.8Very low50.6Low79 Ų79112.1 Ų112.149%0.48563%0.633SS.*  trans-125.4107.5-179.957.60000111.6L88 S94L88-T92 PolarHBondContact O-N 3.47Å; L88-T92 PolarHBondContact O-OG1 3.15Å; L88-T92 VanDerWaalsContact O-OG1 3.04Å; T92-S94 PolarHBondContact O-N 3.13Å; T92-S94 VanDerWaalsContact O-N 3.12Å
93V46.4Very low50.1Low143 Ų143113.9 Ų113.987%0.86764%0.643SS**  trans-60.2110.2161.4174.20000106.8
94S39.9Very low50.8Low101 Ų101110.3 Ų110.371%0.70662%0.624SS**SBendtrans48.3110164.6-67.30000117.2T92T92-S94 PolarHBondContact O-N 3.13Å; T92-S94 VanDerWaalsContact O-N 3.12Å
95L49.1Very low52.4Low165 Ų165104.8 Ų104.886%0.86460%0.604SS**  trans-179.5-6.2136.1-96162.9000114.4
96H46.7Very low54.4Low155 Ų155103.3 Ų103.372%0.71859%0.589SS**SBendtrans-106138.8173.2-7768.6000111.3V98H96-V98 PolarHBondContact O-N 3.1Å
97P42.8Very low56.5Low117 Ų11796.9 Ų96.976%0.7656%0.559SS**  trans-55.3133.8179.5-12.822.6000109.4Q99P97-Q99 PolarHBondContact O-N 3.36Å
98V43.7Very low58.6Low118 Ų11892.2 Ų92.272%0.71554%0.544SS*.  trans-46.6112.5165.9174.10000106.7H96 S100H96-V98 PolarHBondContact O-N 3.1Å; V98-S100 PolarHBondContact O-N 3.35Å
99Q46.6Very low60.8Low117 Ų11791.8 Ų91.855%0.54755%0.549SS..  trans-55.5112.6170-90.6177.1-3.100105.7P97 D103P97-Q99 PolarHBondContact O-N 3.36Å; Q99-D103 HydrophobicContact CB-CB 4.16Å; Q99-D103 HydrophobicContact CG-CB 4.09Å
100S50.8Low63.2Low54 Ų5486.2 Ų86.238%0.37852%0.522SS..  trans-57.1151.6176.267.70000107.1V98 A102 D103V98-S100 PolarHBondContact O-N 3.35Å; S100-A102 PolarHBondContact O-N 3.26Å; S100-A102 WeakPolarHBondContact OG-CB 3.48Å; S100-D103 PolarHBondContact N-OD2 2.99Å; S100-D103 PolarHBondContact O-N 2.66Å; S100-D103 PolarHBondContact OG-OD2 3.4Å
101S54.4Low65.3Low96 Ų9681.9 Ų81.967%0.67149%0.492SS*.G310 helixtrans-53.1-18.2175.555.10000113.2D103S101-D103 VanDerWaalsContact C-N 3.34Å
102A57.8Low67.4Low76 Ų7684.7 Ų84.763%0.62849%0.491SS*.G310 helixtrans-70.2-21.6173.900000114.5S100S100-A102 PolarHBondContact O-N 3.26Å; S100-A102 WeakPolarHBondContact OG-CB 3.48Å
103D75.5Confident69.9Low92 Ų9283 Ų8349%0.49249%0.485SS..G310 helixtrans-92.7-2.9-176.7-60.7-47.5000113.5Q99 S100 S101Q99-D103 HydrophobicContact CB-CB 4.16Å; Q99-D103 HydrophobicContact CG-CB 4.09Å; S100-D103 PolarHBondContact N-OD2 2.99Å; S100-D103 PolarHBondContact O-N 2.66Å; S100-D103 PolarHBondContact OG-OD2 3.4Å; S101-D103 VanDerWaalsContact C-N 3.34Å
104R89.9Confident72.3Confident64 Ų6476.2 Ų76.224%0.24244%0.443CS..  trans-70.3138.9179.4-66.1-166.965.5-164.5-6111.1F77 E78 K144F77-R104 HydrophobicContact CE1-CB 4.12Å; F77-R104 HydrophobicContact CZ-CB 3.88Å; E78-R104 IonicContact OE1-CZ 3.35Å; E78-R104 IonicContact OE1-NH1 3.12Å; E78-R104 PolarHBondContact OE1-NH1 3.48Å; E78-R104 IonicContact OE1-NH2 2.55Å; E78-R104 IonicContact OE2-CZ 3.62Å; E78-R104 IonicContact OE2-NH1 2.85Å; E78-R104 PolarHBondContact OE2-NH1 2.88Å; E78-R104 IonicContact OE2-NH2 3.82Å; E78-R104 PolarHBondContact OE2-NH2 3.01Å; R104-K144 HydrophobicContact CB-CB 4.43Å; R104-K144 WeakPolarHBondContact O-CB 3.47Å; R104-K144 PolarHBondContact O-N 2.86Å
105K92.9Very high74.9Confident82 Ų8271.9 Ų71.936%0.35741%0.412SS..EExtended strand (participates in β ladder)trans-144.1161.1179.763.1-178.1-174.5173.60112.2D82 E141 F142D82-K105 PolarHBondContact N-O 3.08Å; K105-E141 WeakPolarHBondContact CD-OE2 3.34Å; K105-E141 IonicContact NZ-OE2 3.2Å; K105-E141 PolarHBondContact NZ-OE2 3.2Å; K105-F142 CarbonylContact C-O 3.56Å; K105-F142 VanDerWaalsContact CA-O 3.24Å; K105-F142 WeakPolarHBondContact CA-O 3.46Å; K105-F142 WeakPolarHBondContact CB-O 3.28Å
106I92.7Very high77.1Confident0 Ų071.6 Ų71.60%040%0.404CS..EExtended strand (participates in β ladder)trans-92.3111.7163.4-61.8171.8000105.2F77 V111 E141 F142 F147F77-I106 HydrophobicContact CD2-CD1 3.9Å; F77-I106 HydrophobicContact CD2-CG1 3.93Å; F77-I106 HydrophobicContact CE2-CD1 4.2Å; F77-I106 HydrophobicContact CE2-CG1 3.76Å; I106-V111 HydrophobicContact CG2-CG2 3.86Å; I106-V111 VanDerWaalsContact CG2-N 3.34Å; I106-E141 CarbonylContact O-C 3.44Å; I106-E141 WeakPolarHBondContact O-CA 3.45Å; I106-E141 VanDerWaalsContact O-CB 3.31Å; I106-E141 WeakPolarHBondContact O-CB 3.3Å; I106-F142 HydrophobicContact CB-CB 4.43Å; I106-F142 PolarHBondContact N-O 3.36Å; I106-F142 PolarHBondContact O-N 3.38Å; I106-F147 HydrophobicContact CD1-CB 4.36Å; I106-F147 HydrophobicContact CD1-CD1 4.42Å; I106-F147 HydrophobicContact CD1-CD2 3.28Å; I106-F147 HydrophobicContact CD1-CE2 3.5Å; I106-F147 VanDerWaalsContact CD1-CE2 3.5Å; I106-F147 HydrophobicContact CD1-CG 3.78Å; I106-F147 HydrophobicContact CD1-CZ 4.15Å
107G90.8Very high79.5Confident0 Ų066.7 Ų66.70%038%0.383CS..  trans-85.2-170.3175.300000112.5D82 S109 G110 V111 C140D82-G107 VanDerWaalsContact CG-N 3.31Å; D82-G107 WeakPolarHBondContact OD1-CA 3.18Å; D82-G107 PolarHBondContact OD1-N 2.88Å; D82-G107 WeakPolarHBondContact OD2-CA 3.44Å; D82-G107 PolarHBondContact OD2-N 2.96Å; G107-S109 PolarHBondContact O-N 3.46Å; G107-G110 PolarHBondContact O-N 3.41Å; G107-V111 WeakPolarHBondContact O-CG2 3.47Å; G107-V111 PolarHBondContact O-N 3.27Å; G107-C140 CarbonylContact C-O 3.52Å
108P88.2Confident82Confident56 Ų5661.3 Ų61.336%0.36435%0.348SS..Hα-helixtrans-54.1-45.1-173-28.834.9000114.6G110 V111 E112 C140 L198P108-G110 VanDerWaalsContact C-N 3.34Å; P108-G110 PolarHBondContact O-N 3.49Å; P108-V111 PolarHBondContact O-N 3.36Å; P108-E112 PolarHBondContact O-N 2.56Å; P108-C140 HydrophobicContact CG-CB 4.24Å; P108-L198 HydrophobicContact CG-CD1 3.87Å; P108-L198 HydrophobicContact CG-CD2 3.92Å
109S89.8Confident84.4Confident93 Ų9361.9 Ų61.965%0.6534%0.343SS*.Hα-helixtrans-66.4-36.9179.1-47.40000112.4G107 E112 A113G107-S109 PolarHBondContact O-N 3.46Å; S109-E112 PolarHBondContact O-N 2.88Å; S109-A113 PolarHBondContact O-N 3.03Å; S109-A113 VanDerWaalsContact O-N 3.08Å
110G91.6Very high86.6Confident8 Ų857.4 Ų57.48%0.08232%0.323CS..Hα-helixtrans-69-38.7175.500000112Y80 G107 P108 A113 F114Y80-G110 VanDerWaalsContact O-CA 3.28Å; Y80-G110 WeakPolarHBondContact O-CA 3.26Å; G107-G110 PolarHBondContact O-N 3.41Å; P108-G110 VanDerWaalsContact C-N 3.34Å; P108-G110 PolarHBondContact O-N 3.49Å; G110-A113 PolarHBondContact O-N 2.95Å; G110-F114 VanDerWaalsContact O-CB 3.31Å; G110-F114 WeakPolarHBondContact O-CB 3.49Å; G110-F114 PolarHBondContact O-N 2.68Å
111V92.8Very high88.5Confident19 Ų1957.8 Ų57.812%0.11533%0.325CS..Hα-helixtrans-62.4-47.1173.3173.20000110.1I106 G107 P108 A113 F114 L115 F142I106-V111 HydrophobicContact CG2-CG2 3.86Å; I106-V111 VanDerWaalsContact CG2-N 3.34Å; G107-V111 WeakPolarHBondContact O-CG2 3.47Å; G107-V111 PolarHBondContact O-N 3.27Å; P108-V111 PolarHBondContact O-N 3.36Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.4Å; V111-F114 WeakPolarHBondContact O-CB 3.4Å; V111-F114 PolarHBondContact O-N 3.05Å; V111-F114 VanDerWaalsContact O-N 3.16Å; V111-L115 HydrophobicContact CG1-CD1 4.06Å; V111-L115 HydrophobicContact CG1-CG 4.18Å; V111-L115 VanDerWaalsContact O-CG 3.3Å; V111-L115 WeakPolarHBondContact O-CG 3.09Å; V111-L115 PolarHBondContact O-N 3.49Å; V111-F142 HydrophobicContact CG2-CD2 3.96Å; V111-F142 HydrophobicContact CG2-CE2 4.19Å
112E92.1Very high90Very high144 Ų14458 Ų5867%0.67333%0.327SS*.Hα-helixtrans-57.7-46.2177.4-173.9179.9-174.600112P108 S109 F114 L115 K116P108-E112 PolarHBondContact O-N 2.56Å; S109-E112 PolarHBondContact O-N 2.88Å; E112-F114 PolarHBondContact O-N 3.49Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-K116 WeakPolarHBondContact O-CB 3.42Å; E112-K116 PolarHBondContact O-N 2.77Å
113A94.3Very high91.2Very high42 Ų4259.8 Ų59.835%0.34733%0.326SS..Hα-helixtrans-62.7-40.9175.800000112.5Y80 S109 G110 V111 K116 D117Y80-A113 HydrophobicContact CD1-CB 4.04Å; Y80-A113 HydrophobicContact CE1-CB 4.36Å; S109-A113 PolarHBondContact O-N 3.03Å; S109-A113 VanDerWaalsContact O-N 3.08Å; G110-A113 PolarHBondContact O-N 2.95Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.4Å; A113-K116 WeakPolarHBondContact O-CB 3.36Å; A113-K116 PolarHBondContact O-N 2.9Å; A113-D117 PolarHBondContact O-N 3.19Å; A113-D117 VanDerWaalsContact O-N 3.16Å
114F95.1Very high91.9Very high1 Ų157.3 Ų57.30%0.00431%0.312CS..Hα-helixtrans-64.8-43.4177.5177-133.1000112.3Y80 G110 V111 E112 K116 D117 L118 L130 F147 I159 L162Y80-F114 HydrophobicContact CD1-CB 3.94Å; Y80-F114 HydrophobicContact CD2-CB 4.11Å; Y80-F114 AromaticContact CD2-CD2 3.94Å; Y80-F114 HydrophobicContact CD2-CD2 3.94Å; Y80-F114 HydrophobicContact CD2-CG 4.27Å; Y80-F114 HydrophobicContact CE1-CB 4.07Å; Y80-F114 HydrophobicContact CE2-CB 4.23Å; Y80-F114 AromaticContact CE2-CD2 3.48Å; Y80-F114 HydrophobicContact CE2-CD2 3.48Å; Y80-F114 VanDerWaalsContact CE2-CD2 3.48Å; Y80-F114 HydrophobicContact CE2-CE2 4.22Å; Y80-F114 HydrophobicContact CE2-CG 4.21Å; Y80-F114 HydrophobicContact CG-CB 3.97Å; Y80-F114 AromaticContact CZ-CD2 3.81Å; G110-F114 VanDerWaalsContact O-CB 3.31Å; G110-F114 WeakPolarHBondContact O-CB 3.49Å; G110-F114 PolarHBondContact O-N 2.68Å; V111-F114 WeakPolarHBondContact O-CB 3.4Å; V111-F114 PolarHBondContact O-N 3.05Å; V111-F114 VanDerWaalsContact O-N 3.16Å; E112-F114 PolarHBondContact O-N 3.49Å; F114-K116 VanDerWaalsContact C-N 3.35Å; F114-D117 PolarHBondContact O-N 3.4Å; F114-L118 HydrophobicContact CD1-CD1 4.27Å; F114-L118 HydrophobicContact CD2-CD1 4.22Å; F114-L118 HydrophobicContact CD2-CG 4.43Å; F114-L118 HydrophobicContact CE1-CD1 3.92Å; F114-L118 HydrophobicContact CE2-CD1 3.85Å; F114-L118 HydrophobicContact CE2-CG 4.17Å; F114-L118 HydrophobicContact CG-CD1 4.43Å; F114-L118 HydrophobicContact CZ-CD1 3.69Å; F114-L118 HydrophobicContact CZ-CG 4.48Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 3.21Å; F114-L118 VanDerWaalsContact O-N 3.07Å; F114-L130 HydrophobicContact CE1-CD2 3.63Å; F114-L130 HydrophobicContact CZ-CD2 4.14Å; F114-F147 HydrophobicContact CD1-CE2 4.22Å; F114-F147 HydrophobicContact CD2-CE2 4.39Å; F114-F147 AromaticContact CE1-CE2 3.79Å; F114-F147 HydrophobicContact CE1-CE2 3.79Å; F114-F147 HydrophobicContact CE2-CE2 4Å; F114-F147 HydrophobicContact CE2-CZ 4.15Å; F114-F147 HydrophobicContact CG-CE2 4.48Å; F114-F147 AromaticContact CZ-CE2 3.68Å; F114-F147 HydrophobicContact CZ-CE2 3.68Å; F114-F147 HydrophobicContact CZ-CZ 4.19Å; F114-I159 HydrophobicContact CD2-CD1 4.04Å; F114-I159 HydrophobicContact CE2-CD1 3.71Å; F114-L162 HydrophobicContact CE2-CD2 4.08Å; F114-L162 HydrophobicContact CZ-CD2 3.6Å
115L95.2Very high92Very high10 Ų1055.9 Ų55.95%0.05231%0.309CS..Hα-helixtrans-65.9-38176.5-66.6-174.8000112.1V111 E112 D117 L118 H119 L120 V127V111-L115 HydrophobicContact CG1-CD1 4.06Å; V111-L115 HydrophobicContact CG1-CG 4.18Å; V111-L115 VanDerWaalsContact O-CG 3.3Å; V111-L115 WeakPolarHBondContact O-CG 3.09Å; V111-L115 PolarHBondContact O-N 3.49Å; E112-L115 PolarHBondContact O-N 3.41Å; L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 3.1Å; L115-L118 HydrophobicContact CD2-CD1 4.38Å; L115-L118 CarbonylContact O-C 3.52Å; L115-L118 PolarHBondContact O-N 3.25Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-H119 PolarHBondContact O-N 3.44Å; L115-L120 HydrophobicContact CD2-CB 4.49Å; L115-L120 PolarHBondContact O-N 2.94Å; L115-V127 HydrophobicContact CD1-CG1 3.91Å; L115-V127 HydrophobicContact CD1-CG2 3.96Å; L115-V127 HydrophobicContact CD2-CB 4.45Å; L115-V127 HydrophobicContact CD2-CG1 4.04Å; L115-V127 HydrophobicContact CD2-CG2 3.78Å; L115-V127 HydrophobicContact CG-CG2 4.48Å
116K95.6Very high92Very high159 Ų15952 Ų5269%0.69129%0.293SS*.Hα-helixtrans-57.9-45.2173.9-176.5179.8179179.40111.8E112 A113 F114 L118 H119E112-K116 WeakPolarHBondContact O-CB 3.42Å; E112-K116 PolarHBondContact O-N 2.77Å; A113-K116 WeakPolarHBondContact O-CB 3.36Å; A113-K116 PolarHBondContact O-N 2.9Å; F114-K116 VanDerWaalsContact C-N 3.35Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 3.04Å; K116-H119 PolarHBondContact O-N 3.25Å
117D96.4Very high92.1Very high53 Ų5353.3 Ų53.328%0.28330%0.3SS..Hα-helixtrans-70.4-27.7178.1-74-9.4000112.7K79 Y80 A113 F114 L115 H119 I159K79-D117 WeakPolarHBondContact CE-OD2 3.36Å; K79-D117 IonicContact NZ-OD2 3.15Å; K79-D117 PolarHBondContact NZ-OD2 3.42Å; Y80-D117 PolarHBondContact OH-OD2 3.41Å; A113-D117 PolarHBondContact O-N 3.19Å; A113-D117 VanDerWaalsContact O-N 3.16Å; F114-D117 PolarHBondContact O-N 3.4Å; L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 3.1Å; D117-H119 PolarHBondContact O-CD2 3.23Å; D117-H119 PolarHBondContact O-N 3.44Å; D117-I159 HydrophobicContact CB-CG2 4.4Å; D117-I159 VanDerWaalsContact O-CG2 3.25Å; D117-I159 WeakPolarHBondContact O-CG2 3.21Å
118L95.5Very high92.2Very high4 Ų453.6 Ų53.62%0.02130%0.302CS..Hα-helixtrans-75.4-12.2170-70.5171.4000113.6F114 L115 K116 L120 L130 I159 L162 R163 L166F114-L118 HydrophobicContact CD1-CD1 4.27Å; F114-L118 HydrophobicContact CD2-CD1 4.22Å; F114-L118 HydrophobicContact CD2-CG 4.43Å; F114-L118 HydrophobicContact CE1-CD1 3.92Å; F114-L118 HydrophobicContact CE2-CD1 3.85Å; F114-L118 HydrophobicContact CE2-CG 4.17Å; F114-L118 HydrophobicContact CG-CD1 4.43Å; F114-L118 HydrophobicContact CZ-CD1 3.69Å; F114-L118 HydrophobicContact CZ-CG 4.48Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 3.21Å; F114-L118 VanDerWaalsContact O-N 3.07Å; L115-L118 HydrophobicContact CD2-CD1 4.38Å; L115-L118 CarbonylContact O-C 3.52Å; L115-L118 PolarHBondContact O-N 3.25Å; L115-L118 VanDerWaalsContact O-N 3.16Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 3.04Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 HydrophobicContact CB-CD1 4.02Å; L118-L120 HydrophobicContact CB-CG 4.01Å; L118-L120 HydrophobicContact CD1-CD1 4.26Å; L118-L130 HydrophobicContact CD1-CD2 3.67Å; L118-I159 HydrophobicContact CD2-CG2 3.98Å; L118-L162 HydrophobicContact CD1-CD2 4.06Å; L118-L162 HydrophobicContact CD2-CB 4.17Å; L118-L162 HydrophobicContact CD2-CD2 3.69Å; L118-L162 HydrophobicContact CD2-CG 3.9Å; L118-L162 HydrophobicContact CG-CD2 4.48Å; L118-R163 HydrophobicContact CD2-CG 3.71Å; L118-R163 WeakPolarHBondContact O-CD 3.25Å; L118-R163 PolarHBondContact O-NE 2.86Å; L118-L166 HydrophobicContact CD1-CD1 4.4Å; L118-L166 HydrophobicContact CD2-CD1 4.33Å
119H95.4Very high92.5Very high129 Ų12951 Ų5160%0.59729%0.285SS*.THydrogen-bonded Turntrans58.841.6-170-52.3-90.9000113.3L115 K116 D117 R163L115-H119 PolarHBondContact O-N 3.44Å; K116-H119 PolarHBondContact O-N 3.25Å; D117-H119 PolarHBondContact O-CD2 3.23Å; D117-H119 PolarHBondContact O-N 3.44Å; H119-R163 PolarHBondContact CD2-NH1 2.84Å; H119-R163 PolarHBondContact CD2-NH2 3.23Å; H119-R163 PolarHBondContact NE2-NH1 2.99Å; H119-R163 VanDerWaalsContact NE2-NH1 3.15Å
120L91.7Very high92.8Very high24 Ų2446.5 Ų46.513%0.12625%0.254CS..  trans-111.6138.3175-62.6175.6000109.9L115 L118 D124 L126 V127 L166L115-L120 HydrophobicContact CD2-CB 4.49Å; L115-L120 PolarHBondContact O-N 2.94Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 HydrophobicContact CB-CD1 4.02Å; L118-L120 HydrophobicContact CB-CG 4.01Å; L118-L120 HydrophobicContact CD1-CD1 4.26Å; L120-D124 HydrophobicContact CD2-CB 4.47Å; L120-L126 HydrophobicContact CD1-CB 4.06Å; L120-L126 HydrophobicContact CD2-CB 3.99Å; L120-L126 HydrophobicContact CD2-CD1 3.97Å; L120-V127 HydrophobicContact CB-CG2 4.01Å; L120-V127 HydrophobicContact CD1-CG2 4.23Å; L120-L166 HydrophobicContact CD1-CD1 3.96Å
121S90.4Very high93Very high61 Ų6146.2 Ų46.243%0.42725%0.25SS..  trans-76.1154164.759.60000109.7D123 D124 V127S121-D123 WeakPolarHBondContact CB-OD1 3.36Å; S121-D123 PolarHBondContact O-N 2.79Å; S121-D123 VanDerWaalsContact O-N 3.13Å; S121-D123 PolarHBondContact OG-OD1 3.25Å; S121-D124 WeakPolarHBondContact O-CB 3.46Å; S121-D124 PolarHBondContact O-N 3.46Å; S121-D124 VanDerWaalsContact O-N 3.1Å; S121-V127 WeakPolarHBondContact O-CG2 3.43Å
122S85.8Confident93.1Very high101 Ų10146.2 Ų46.271%0.70625%0.248SC*.THydrogen-bonded Turntrans-63.4-17.8-178.553.20000114.2
123D84.3Confident93.2Very high114 Ų11441.2 Ų41.261%0.6122%0.224SC*.THydrogen-bonded Turntrans-99.83.9178.362.5-12.6000113.7S121 L224S121-D123 WeakPolarHBondContact CB-OD1 3.36Å; S121-D123 PolarHBondContact O-N 2.79Å; S121-D123 VanDerWaalsContact O-N 3.13Å; S121-D123 PolarHBondContact OG-OD1 3.25Å; D123-L224 WeakPolarHBondContact O-CD1 3.25Å
124D90.1Very high93.3Very high40 Ų4039.4 Ų39.421%0.21421%0.209CC..  trans-71.4136.5175.5-165.1-35.7000110.9L120 S121 L126 V127 R170L120-D124 HydrophobicContact CD2-CB 4.47Å; S121-D124 WeakPolarHBondContact O-CB 3.46Å; S121-D124 PolarHBondContact O-N 3.46Å; S121-D124 VanDerWaalsContact O-N 3.1Å; D124-L126 PolarHBondContact O-N 3.39Å; D124-L126 VanDerWaalsContact O-N 3.11Å; D124-L126 PolarHBondContact OD1-N 3.07Å; D124-V127 HydrophobicContact CB-CG2 4.26Å; D124-V127 VanDerWaalsContact O-CB 3.32Å; D124-V127 WeakPolarHBondContact O-CB 3.15Å; D124-V127 PolarHBondContact O-N 2.85Å; D124-R170 IonicContact OD1-NH2 2.58Å; D124-R170 PolarHBondContact OD1-NH2 3.26Å
125L91.7Very high93.2Very high33 Ų3347.6 Ų47.617%0.17324%0.24CC..Hα-helixtrans-51.4-35.1173-179.168.7000111.7V127 L128 V129 L173 F182 L224 I225L125-V127 PolarHBondContact O-N 3.44Å; L125-L128 WeakPolarHBondContact O-CB 3.37Å; L125-L128 PolarHBondContact O-N 3.27Å; L125-L128 VanDerWaalsContact O-N 3.1Å; L125-V129 HydrophobicContact CG-CG2 4.37Å; L125-V129 WeakPolarHBondContact O-CG2 3.24Å; L125-V129 PolarHBondContact O-N 2.93Å; L125-L173 HydrophobicContact CD2-CD1 4.19Å; L125-F182 HydrophobicContact CD1-CE1 4.03Å; L125-F182 HydrophobicContact CD1-CZ 3.87Å; L125-L224 HydrophobicContact CB-CD1 4.08Å; L125-L224 HydrophobicContact CB-CG 4.33Å; L125-L224 HydrophobicContact CD1-CD2 4.5Å; L125-L224 HydrophobicContact CD1-CG 3.97Å; L125-I225 HydrophobicContact CD1-CG2 4.01Å
126L93Very high93.1Very high2 Ų247.2 Ų47.21%0.0124%0.238CC..Hα-helixtrans-63.2-26.1178.7-70.8178.1000113.6L120 D124 L128 V129 L130 L166 E167 R170L120-L126 HydrophobicContact CD1-CB 4.06Å; L120-L126 HydrophobicContact CD2-CB 3.99Å; L120-L126 HydrophobicContact CD2-CD1 3.97Å; D124-L126 PolarHBondContact O-N 3.39Å; D124-L126 VanDerWaalsContact O-N 3.11Å; D124-L126 PolarHBondContact OD1-N 3.07Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L126-V129 PolarHBondContact O-N 2.72Å; L126-L130 VanDerWaalsContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CB 3.32Å; L126-L130 PolarHBondContact O-N 3.23Å; L126-L166 HydrophobicContact CD1-CB 4.44Å; L126-L166 HydrophobicContact CD2-CB 4.3Å; L126-L166 WeakPolarHBondContact CD2-O 3.3Å; L126-E167 WeakPolarHBondContact CD1-OE1 3.45Å; L126-R170 HydrophobicContact CD2-CB 4.08Å
127V93.8Very high92.9Very high27 Ų2747.4 Ų47.416%0.16424%0.239CC..Hα-helixtrans-65.6-42.8173.5178.90000110.3L115 L120 S121 D124 L125 L130 A131L115-V127 HydrophobicContact CD1-CG1 3.91Å; L115-V127 HydrophobicContact CD1-CG2 3.96Å; L115-V127 HydrophobicContact CD2-CB 4.45Å; L115-V127 HydrophobicContact CD2-CG1 4.04Å; L115-V127 HydrophobicContact CD2-CG2 3.78Å; L115-V127 HydrophobicContact CG-CG2 4.48Å; L120-V127 HydrophobicContact CB-CG2 4.01Å; L120-V127 HydrophobicContact CD1-CG2 4.23Å; S121-V127 WeakPolarHBondContact O-CG2 3.43Å; D124-V127 HydrophobicContact CB-CG2 4.26Å; D124-V127 VanDerWaalsContact O-CB 3.32Å; D124-V127 WeakPolarHBondContact O-CB 3.15Å; D124-V127 PolarHBondContact O-N 2.85Å; L125-V127 PolarHBondContact O-N 3.44Å; V127-L130 WeakPolarHBondContact O-CB 3.34Å; V127-L130 PolarHBondContact O-N 3.2Å; V127-A131 PolarHBondContact O-N 3.34Å
128L93.7Very high92.3Very high6 Ų645.9 Ų45.93%0.03123%0.231CC..Hα-helixtrans-70.3-37.9176.6-174.956.9000111.7L125 L126 L130 A131 W132 F182 F185 T186 F189 Y221 L224 I225L125-L128 WeakPolarHBondContact O-CB 3.37Å; L125-L128 PolarHBondContact O-N 3.27Å; L125-L128 VanDerWaalsContact O-N 3.1Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L128-L130 VanDerWaalsContact C-N 3.31Å; L128-L130 PolarHBondContact O-N 3.16Å; L128-A131 PolarHBondContact O-N 2.94Å; L128-W132 WeakPolarHBondContact O-CB 3.39Å; L128-W132 PolarHBondContact O-N 3.03Å; L128-F182 HydrophobicContact CB-CE2 4.3Å; L128-F182 HydrophobicContact CB-CZ 4.16Å; L128-F182 HydrophobicContact CD2-CE1 4.47Å; L128-F182 HydrophobicContact CD2-CE2 4.2Å; L128-F182 HydrophobicContact CD2-CZ 3.67Å; L128-F182 HydrophobicContact CG-CE2 3.71Å; L128-F182 HydrophobicContact CG-CZ 3.65Å; L128-F185 HydrophobicContact CD1-CE1 4.35Å; L128-T186 HydrophobicContact CD1-CG2 4.33Å; L128-T186 HydrophobicContact CD2-CG2 3.77Å; L128-F189 HydrophobicContact CD1-CD1 3.61Å; L128-F189 HydrophobicContact CD1-CE1 3.83Å; L128-Y221 HydrophobicContact CD1-CD1 4.45Å; L128-Y221 HydrophobicContact CD1-CE1 3.85Å; L128-Y221 HydrophobicContact CD2-CD1 3.71Å; L128-Y221 HydrophobicContact CD2-CE1 3.89Å; L128-Y221 HydrophobicContact CG-CE1 4.44Å; L128-L224 HydrophobicContact CB-CD2 4.39Å; L128-L224 HydrophobicContact CD2-CD2 4.13Å; L128-I225 HydrophobicContact CD2-CG2 3.55Å
129V94.8Very high91.8Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-61.4-41.5172.8172.90000111L125 L126 W132 K133 F169 L173 F182L125-V129 HydrophobicContact CG-CG2 4.37Å; L125-V129 WeakPolarHBondContact O-CG2 3.24Å; L125-V129 PolarHBondContact O-N 2.93Å; L126-V129 PolarHBondContact O-N 2.72Å; V129-W132 HydrophobicContact CG1-CE3 4.26Å; V129-W132 WeakPolarHBondContact O-CB 3.37Å; V129-W132 PolarHBondContact O-N 3.1Å; V129-K133 HydrophobicContact CG1-CG 4.4Å; V129-K133 WeakPolarHBondContact O-CG 3.33Å; V129-K133 PolarHBondContact O-N 2.81Å; V129-F169 HydrophobicContact CG1-CB 3.57Å; V129-F169 HydrophobicContact CG1-CD2 4.48Å; V129-F169 HydrophobicContact CG1-CG 4.42Å; V129-L173 HydrophobicContact CG2-CD1 3.66Å; V129-L173 HydrophobicContact CG2-CG 4.47Å; V129-F182 HydrophobicContact CB-CE2 4.49Å; V129-F182 HydrophobicContact CG2-CE2 3.85Å; V129-F182 HydrophobicContact CG2-CZ 4Å
130L95.1Very high91.3Very high0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-60.4-48.3174.9-179.861.1000110.8F114 L118 L126 V127 L128 W132 K133 M134 M154 L162 L166F114-L130 HydrophobicContact CE1-CD2 3.63Å; F114-L130 HydrophobicContact CZ-CD2 4.14Å; L118-L130 HydrophobicContact CD1-CD2 3.67Å; L126-L130 VanDerWaalsContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CB 3.32Å; L126-L130 PolarHBondContact O-N 3.23Å; V127-L130 WeakPolarHBondContact O-CB 3.34Å; V127-L130 PolarHBondContact O-N 3.2Å; L128-L130 VanDerWaalsContact C-N 3.31Å; L128-L130 PolarHBondContact O-N 3.16Å; L130-W132 VanDerWaalsContact C-N 3.31Å; L130-W132 PolarHBondContact O-N 2.7Å; L130-K133 PolarHBondContact O-N 2.99Å; L130-M134 HydrophobicContact CD1-CG 4.13Å; L130-M134 HydrophobicContact CD1-SD 3.42Å; L130-M134 WeakPolarHBondContact CD1-SD 3.2Å; L130-M134 HydrophobicContact CD2-SD 4.43Å; L130-M134 HydrophobicContact CG-SD 3.61Å; L130-M134 WeakPolarHBondContact O-CB 3.19Å; L130-M134 WeakPolarHBondContact O-CG 3.45Å; L130-M134 PolarHBondContact O-N 3.11Å; L130-M154 HydrophobicContact CD1-CE 4.04Å; L130-M154 HydrophobicContact CD1-SD 4.46Å; L130-L162 HydrophobicContact CD1-CD1 3.95Å; L130-L162 HydrophobicContact CD1-CD2 3.96Å; L130-L162 HydrophobicContact CD1-CG 4.43Å; L130-L166 HydrophobicContact CB-CD2 3.9Å; L130-L166 HydrophobicContact CD1-CD2 4.09Å
131A95.3Very high91.2Very high1 Ų142.7 Ų42.71%0.00822%0.219CC..Hα-helixtrans-57.5-43.2175.700000112.6V127 L128 M134 R135 A136 F142 F185 F189V127-A131 PolarHBondContact O-N 3.34Å; L128-A131 PolarHBondContact O-N 2.94Å; A131-M134 CarbonylContact O-C 3.52Å; A131-M134 PolarHBondContact O-N 3.24Å; A131-R135 PolarHBondContact O-N 3.41Å; A131-A136 HydrophobicContact CB-CB 4.16Å; A131-A136 PolarHBondContact O-N 2.84Å; A131-F142 HydrophobicContact CB-CE1 4.44Å; A131-F142 HydrophobicContact CB-CZ 4.48Å; A131-F185 HydrophobicContact CB-CE1 4.28Å; A131-F185 HydrophobicContact CB-CZ 4.32Å; A131-F185 WeakPolarHBondContact O-CZ 3.08Å; A131-F189 HydrophobicContact CB-CD2 4.41Å; A131-F189 HydrophobicContact CB-CE1 4.01Å; A131-F189 HydrophobicContact CB-CE2 3.74Å; A131-F189 HydrophobicContact CB-CZ 3.49Å; A131-F189 VanDerWaalsContact CB-CZ 3.49Å
132W95.5Very high91.3Very high19 Ų1940.3 Ų40.37%0.07220%0.201CC..Hα-helixtrans-61.2-49.3175.5169.358.5000112.4L128 V129 L130 M134 R135 L173 N178 D181 F182 F185L128-W132 WeakPolarHBondContact O-CB 3.39Å; L128-W132 PolarHBondContact O-N 3.03Å; V129-W132 HydrophobicContact CG1-CE3 4.26Å; V129-W132 WeakPolarHBondContact O-CB 3.37Å; V129-W132 PolarHBondContact O-N 3.1Å; L130-W132 VanDerWaalsContact C-N 3.31Å; L130-W132 PolarHBondContact O-N 2.7Å; W132-M134 PolarHBondContact O-N 3.02Å; W132-R135 PolarHBondContact O-N 3.28Å; W132-L173 HydrophobicContact CH2-CD2 4.49Å; W132-L173 HydrophobicContact CZ3-CD2 4.09Å; W132-N178 HydrophobicContact CH2-CB 4.26Å; W132-D181 PolarHBondContact NE1-OD2 2.93Å; W132-F182 HydrophobicContact CB-CD2 3.74Å; W132-F182 HydrophobicContact CB-CE2 4.12Å; W132-F182 HydrophobicContact CD2-CB 4.13Å; W132-F182 AromaticContact CD2-CD2 3.79Å; W132-F182 HydrophobicContact CD2-CD2 3.79Å; W132-F182 HydrophobicContact CD2-CG 4.45Å; W132-F182 HydrophobicContact CE3-CB 4.43Å; W132-F182 AromaticContact CE3-CD2 3.9Å; W132-F182 HydrophobicContact CE3-CD2 3.9Å; W132-F182 AromaticContact CG-CD2 3.73Å; W132-F182 HydrophobicContact CG-CD2 3.73Å; W132-F182 HydrophobicContact CZ2-CB 4.36Å; W132-F185 VanDerWaalsContact CA-CE1 3.4Å; W132-F185 HydrophobicContact CB-CD1 3.64Å; W132-F185 HydrophobicContact CB-CE1 3.73Å; W132-F185 HydrophobicContact CB-CG 4.19Å; W132-F185 HydrophobicContact CB-CZ 4.34Å; W132-F185 AromaticContact CD1-CD1 3.98Å; W132-F185 AromaticContact CD1-CG 3.67Å; W132-F185 HydrophobicContact CG-CD1 4.18Å; W132-F185 HydrophobicContact CG-CG 4.31Å
133K95Very high91.7Very high39 Ų3937.7 Ų37.717%0.1718%0.181CC..Hα-helixtrans-64.7-29.7178.7-69.2-57.8-163.3-171.60113.1V129 L130 R135 M154 F169 E172V129-K133 HydrophobicContact CG1-CG 4.4Å; V129-K133 WeakPolarHBondContact O-CG 3.33Å; V129-K133 PolarHBondContact O-N 2.81Å; L130-K133 PolarHBondContact O-N 2.99Å; K133-R135 VanDerWaalsContact C-N 3.29Å; K133-M154 HydrophobicContact CB-CE 4.49Å; K133-M154 HydrophobicContact CB-CG 4.25Å; K133-M154 HydrophobicContact CB-SD 3.58Å; K133-M154 VanDerWaalsContact CB-SD 3.58Å; K133-M154 HydrophobicContact CG-SD 4.31Å; K133-F169 HydrophobicContact CB-CE2 4.41Å; K133-F169 HydrophobicContact CD-CD1 4.44Å; K133-F169 HydrophobicContact CD-CD2 4.43Å; K133-F169 HydrophobicContact CD-CE1 4.32Å; K133-F169 HydrophobicContact CD-CE2 4.34Å; K133-F169 HydrophobicContact CD-CG 4.47Å; K133-F169 HydrophobicContact CD-CZ 4.26Å; K133-F169 VanDerWaalsContact CE-CE1 3.5Å; K133-F169 HydrophobicContact CG-CD2 3.79Å; K133-F169 HydrophobicContact CG-CE2 3.81Å; K133-F169 HydrophobicContact CG-CG 4.21Å; K133-F169 HydrophobicContact CG-CZ 4.22Å; K133-E172 WeakPolarHBondContact CE-OE2 3.36Å; K133-E172 IonicContact NZ-OE2 2.71Å; K133-E172 PolarHBondContact NZ-OE2 3.28Å
134M95.2Very high92.2Very high5 Ų534.4 Ų34.43%0.02516%0.161CC..THydrogen-bonded Turntrans-86.3-1.8175.3-62.3173.868.900113L130 A131 W132 A136 F142 F147 M154L130-M134 HydrophobicContact CD1-CG 4.13Å; L130-M134 HydrophobicContact CD1-SD 3.42Å; L130-M134 WeakPolarHBondContact CD1-SD 3.2Å; L130-M134 HydrophobicContact CD2-SD 4.43Å; L130-M134 HydrophobicContact CG-SD 3.61Å; L130-M134 WeakPolarHBondContact O-CB 3.19Å; L130-M134 WeakPolarHBondContact O-CG 3.45Å; L130-M134 PolarHBondContact O-N 3.11Å; A131-M134 CarbonylContact O-C 3.52Å; A131-M134 PolarHBondContact O-N 3.24Å; W132-M134 PolarHBondContact O-N 3.02Å; M134-A136 PolarHBondContact O-N 3.38Å; M134-F142 HydrophobicContact CB-CD1 4.48Å; M134-F142 HydrophobicContact CB-CE1 4.17Å; M134-F142 HydrophobicContact CE-CD1 3.78Å; M134-F142 HydrophobicContact CE-CE1 3.94Å; M134-F142 HydrophobicContact CE-CG 4.21Å; M134-F142 HydrophobicContact SD-CD1 4.26Å; M134-F142 HydrophobicContact SD-CE1 3.79Å; M134-F142 HydrophobicContact SD-CZ 4.13Å; M134-F147 VanDerWaalsContact CE-CA 3.4Å; M134-F147 HydrophobicContact CE-CB 4.07Å; M134-F147 HydrophobicContact CE-CD2 3.61Å; M134-F147 HydrophobicContact CE-CE2 4.39Å; M134-F147 HydrophobicContact CE-CG 4.06Å; M134-M154 HydrophobicContact CG-CE 3.52Å; M134-M154 HydrophobicContact SD-CE 4.22Å
135R94.3Very high92.4Very high173 Ų17337.6 Ų37.665%0.65318%0.178SC*.THydrogen-bonded Turntrans5138.9-175.6-55.8-179.2-177.5170.44.7112.4A131 W132 K133 K137A131-R135 PolarHBondContact O-N 3.41Å; W132-R135 PolarHBondContact O-N 3.28Å; K133-R135 VanDerWaalsContact C-N 3.29Å; R135-K137 PolarHBondContact O-N 3.48Å
136A93.5Very high92.6Very high1 Ų137 Ų371%0.00817%0.174CC..  trans-62.1131-179.100000110.2A131 M134 F142 F185 F189A131-A136 HydrophobicContact CB-CB 4.16Å; A131-A136 PolarHBondContact O-N 2.84Å; M134-A136 PolarHBondContact O-N 3.38Å; A136-F142 HydrophobicContact CB-CD1 3.78Å; A136-F142 HydrophobicContact CB-CE1 3.6Å; A136-F185 VanDerWaalsContact O-CE2 3.24Å; A136-F185 WeakPolarHBondContact O-CE2 3.42Å; A136-F185 VanDerWaalsContact O-CZ 3.25Å; A136-F185 WeakPolarHBondContact O-CZ 3.2Å; A136-F189 HydrophobicContact CB-CD2 4.26Å; A136-F189 HydrophobicContact CB-CE2 3.76Å; A136-F189 WeakPolarHBondContact O-CD2 3.4Å
137K90.5Very high92.7Very high164 Ų16437 Ų3771%0.71317%0.174SC*.SBendtrans-81.9-29.2-177.8-68.7174.6-177.9178.60113.4R135 E146R135-K137 PolarHBondContact O-N 3.48Å; K137-E146 WeakPolarHBondContact CG-OE1 3.29Å; K137-E146 PolarHBondContact N-OE1 2.84Å
138T84.2Confident92.8Very high21 Ų2135.8 Ų35.813%0.12917%0.167CC..SBendtrans-136.3134.2-170.6-70.20000110.1E141 F189 S192T138-E141 HydrophobicContact CG2-CG 3.91Å; T138-F189 VanDerWaalsContact C-CE2 3.41Å; T138-F189 WeakPolarHBondContact O-CE2 3.46Å; T138-S192 WeakPolarHBondContact CB-OG 3.39Å; T138-S192 WeakPolarHBondContact CG2-OG 3.29Å; T138-S192 PolarHBondContact OG1-OG 3.3Å
139Q85.1Confident92.8Very high21 Ų2138.2 Ų38.210%0.09818%0.18CC..THydrogen-bonded Turntrans-63.5155.517160.9174.2-67.700113.2E141 F189 A190 Q195 M217Q139-E141 PolarHBondContact O-N 3.27Å; Q139-F189 HydrophobicContact CB-CD1 4.22Å; Q139-F189 HydrophobicContact CB-CE1 3.71Å; Q139-F189 HydrophobicContact CB-CE2 4.17Å; Q139-F189 HydrophobicContact CB-CZ 3.69Å; Q139-A190 PolarHBondContact NE2-O 3.41Å; Q139-Q195 VanDerWaalsContact CG-NE2 3.31Å; Q139-M217 PolarHBondContact NE2-SD 3.3Å
140C84.6Confident92.9Very high32 Ų3238.3 Ų38.322%0.21618%0.181CC..THydrogen-bonded Turntrans67.65.9-179.7-49.20000116.1G107 P108G107-C140 CarbonylContact C-O 3.52Å; P108-C140 HydrophobicContact CG-CB 4.24Å
141E89.9Confident92.9Very high36 Ų3638.5 Ų38.517%0.16818%0.182CC..  trans-148.616017265.8-173.4-16300112.4K105 I106 T138 Q139K105-E141 WeakPolarHBondContact CD-OE2 3.34Å; K105-E141 IonicContact NZ-OE2 3.2Å; K105-E141 PolarHBondContact NZ-OE2 3.2Å; I106-E141 CarbonylContact O-C 3.44Å; I106-E141 WeakPolarHBondContact O-CA 3.45Å; I106-E141 VanDerWaalsContact O-CB 3.31Å; I106-E141 WeakPolarHBondContact O-CB 3.3Å; T138-E141 HydrophobicContact CG2-CG 3.91Å; Q139-E141 PolarHBondContact O-N 3.27Å
142F92.3Very high92.8Very high12 Ų1240.4 Ų40.45%0.05319%0.192CC..EExtended strand (participates in β ladder)trans-131.3125.4164.2-66.4-79.3000108.9K105 I106 V111 A131 M134 A136 F147K105-F142 CarbonylContact C-O 3.56Å; K105-F142 VanDerWaalsContact CA-O 3.24Å; K105-F142 WeakPolarHBondContact CA-O 3.46Å; K105-F142 WeakPolarHBondContact CB-O 3.28Å; I106-F142 HydrophobicContact CB-CB 4.43Å; I106-F142 PolarHBondContact N-O 3.36Å; I106-F142 PolarHBondContact O-N 3.38Å; V111-F142 HydrophobicContact CG2-CD2 3.96Å; V111-F142 HydrophobicContact CG2-CE2 4.19Å; A131-F142 HydrophobicContact CB-CE1 4.44Å; A131-F142 HydrophobicContact CB-CZ 4.48Å; M134-F142 HydrophobicContact CB-CD1 4.48Å; M134-F142 HydrophobicContact CB-CE1 4.17Å; M134-F142 HydrophobicContact CE-CD1 3.78Å; M134-F142 HydrophobicContact CE-CE1 3.94Å; M134-F142 HydrophobicContact CE-CG 4.21Å; M134-F142 HydrophobicContact SD-CD1 4.26Å; M134-F142 HydrophobicContact SD-CE1 3.79Å; M134-F142 HydrophobicContact SD-CZ 4.13Å; A136-F142 HydrophobicContact CB-CD1 3.78Å; A136-F142 HydrophobicContact CB-CE1 3.6Å; F142-F147 HydrophobicContact CB-CB 4.39Å
143T93.7Very high92.6Very high45 Ų4544.9 Ų44.928%0.27621%0.214SC..EExtended strand (participates in β ladder)trans-64.5155167.463.90000110N145 E146 F147T143-N145 PolarHBondContact O-N 3.47Å; T143-N145 VanDerWaalsContact O-N 3.16Å; T143-E146 WeakPolarHBondContact CB-OE2 3.43Å; T143-E146 WeakPolarHBondContact CG2-OE2 3.38Å; T143-E146 PolarHBondContact N-OE2 3Å; T143-E146 PolarHBondContact O-N 2.91Å; T143-E146 WeakPolarHBondContact OG1-CB 3.32Å; T143-E146 WeakPolarHBondContact OG1-CG 3.44Å; T143-E146 PolarHBondContact OG1-N 2.87Å; T143-E146 PolarHBondContact OG1-OE2 3.16Å; T143-F147 PolarHBondContact O-N 3.11Å
144K95.1Very high92.5Very high46 Ų4643.5 Ų43.520%0.221%0.208CC..Hα-helixtrans-52.4-39.4174.9-173.6169.7-176.5162.80112.2F77 E78 R104 F147 V148F77-K144 HydrophobicContact CD1-CB 4.49Å; F77-K144 HydrophobicContact CD1-CD 3.88Å; F77-K144 HydrophobicContact CD1-CG 3.85Å; F77-K144 HydrophobicContact CD2-CB 4.24Å; F77-K144 HydrophobicContact CD2-CG 4.11Å; F77-K144 HydrophobicContact CE1-CB 3.92Å; F77-K144 HydrophobicContact CE1-CD 3.6Å; F77-K144 HydrophobicContact CE1-CG 3.68Å; F77-K144 HydrophobicContact CE2-CB 3.63Å; F77-K144 HydrophobicContact CE2-CG 3.95Å; F77-K144 HydrophobicContact CG-CG 4.07Å; F77-K144 HydrophobicContact CZ-CB 3.44Å; F77-K144 VanDerWaalsContact CZ-CB 3.44Å; F77-K144 HydrophobicContact CZ-CD 4.08Å; F77-K144 HydrophobicContact CZ-CG 3.74Å; E78-K144 IonicContact OE1-NZ 2.68Å; E78-K144 PolarHBondContact OE1-NZ 3.28Å; R104-K144 HydrophobicContact CB-CB 4.43Å; R104-K144 WeakPolarHBondContact O-CB 3.47Å; R104-K144 PolarHBondContact O-N 2.86Å; K144-F147 PolarHBondContact O-N 2.98Å; K144-V148 HydrophobicContact CG-CG2 4.1Å; K144-V148 WeakPolarHBondContact O-CB 3.34Å; K144-V148 VanDerWaalsContact O-CG2 3.3Å; K144-V148 WeakPolarHBondContact O-CG2 3.35Å; K144-V148 PolarHBondContact O-N 3.4Å
145N94Very high92.3Very high106 Ų10649.4 Ų49.457%0.56723%0.23SC*.Hα-helixtrans-67.9-46.2-178.2-162.332.7000112T143 F147 N149T143-N145 PolarHBondContact O-N 3.47Å; T143-N145 VanDerWaalsContact O-N 3.16Å; N145-F147 VanDerWaalsContact C-N 3.33Å; N145-N149 WeakPolarHBondContact O-CB 3.44Å; N145-N149 VanDerWaalsContact O-CG 3.26Å; N145-N149 PolarHBondContact O-N 3.15Å; N145-N149 PolarHBondContact O-ND2 3.11Å; N145-N149 PolarHBondContact OD1-ND2 3.37Å
146E95.8Very high92.3Very high22 Ų2241.3 Ų41.310%0.10320%0.2CC..Hα-helixtrans-60.7-44.1174.3-70.9158.4157.500110.8K137 T143 G150K137-E146 WeakPolarHBondContact CG-OE1 3.29Å; K137-E146 PolarHBondContact N-OE1 2.84Å; T143-E146 WeakPolarHBondContact CB-OE2 3.43Å; T143-E146 WeakPolarHBondContact CG2-OE2 3.38Å; T143-E146 PolarHBondContact N-OE2 3Å; T143-E146 PolarHBondContact O-N 2.91Å; T143-E146 WeakPolarHBondContact OG1-CB 3.32Å; T143-E146 WeakPolarHBondContact OG1-CG 3.44Å; T143-E146 PolarHBondContact OG1-N 2.87Å; T143-E146 PolarHBondContact OG1-OE2 3.16Å; E146-G150 WeakPolarHBondContact O-CA 3.2Å; E146-G150 PolarHBondContact O-N 3.22Å
147F96.2Very high92.3Very high0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-63-56.4-179.6-167.9-89.5000113L76 F77 Y80 I106 F114 M134 F142 T143 K144 N145 L151L76-F147 HydrophobicContact CB-CE1 4.14Å; L76-F147 HydrophobicContact CB-CZ 4.41Å; F77-F147 HydrophobicContact CB-CD1 3.7Å; F77-F147 HydrophobicContact CB-CE1 3.91Å; F77-F147 HydrophobicContact CD2-CB 3.92Å; F77-F147 AromaticContact CD2-CD1 3.95Å; F77-F147 HydrophobicContact CD2-CD1 3.95Å; F77-F147 HydrophobicContact CD2-CG 4.02Å; F77-F147 HydrophobicContact CG-CD1 4.33Å; Y80-F147 HydrophobicContact CD2-CZ 4.25Å; I106-F147 HydrophobicContact CD1-CB 4.36Å; I106-F147 HydrophobicContact CD1-CD1 4.42Å; I106-F147 HydrophobicContact CD1-CD2 3.28Å; I106-F147 HydrophobicContact CD1-CE2 3.5Å; I106-F147 VanDerWaalsContact CD1-CE2 3.5Å; I106-F147 HydrophobicContact CD1-CG 3.78Å; I106-F147 HydrophobicContact CD1-CZ 4.15Å; F114-F147 HydrophobicContact CD1-CE2 4.22Å; F114-F147 HydrophobicContact CD2-CE2 4.39Å; F114-F147 AromaticContact CE1-CE2 3.79Å; F114-F147 HydrophobicContact CE1-CE2 3.79Å; F114-F147 HydrophobicContact CE2-CE2 4Å; F114-F147 HydrophobicContact CE2-CZ 4.15Å; F114-F147 HydrophobicContact CG-CE2 4.48Å; F114-F147 AromaticContact CZ-CE2 3.68Å; F114-F147 HydrophobicContact CZ-CE2 3.68Å; F114-F147 HydrophobicContact CZ-CZ 4.19Å; M134-F147 VanDerWaalsContact CE-CA 3.4Å; M134-F147 HydrophobicContact CE-CB 4.07Å; M134-F147 HydrophobicContact CE-CD2 3.61Å; M134-F147 HydrophobicContact CE-CE2 4.39Å; M134-F147 HydrophobicContact CE-CG 4.06Å; F142-F147 HydrophobicContact CB-CB 4.39Å; T143-F147 PolarHBondContact O-N 3.11Å; K144-F147 PolarHBondContact O-N 2.98Å; N145-F147 VanDerWaalsContact C-N 3.33Å; F147-L151 HydrophobicContact CD1-CD1 3.77Å; F147-L151 HydrophobicContact CE1-CD1 3.26Å; F147-L151 HydrophobicContact CE1-CG 4.41Å; F147-L151 HydrophobicContact CE2-CD1 4.28Å; F147-L151 HydrophobicContact CG-CD1 4.49Å; F147-L151 HydrophobicContact CZ-CD1 3.56Å; F147-L151 WeakPolarHBondContact O-CB 3.2Å; F147-L151 WeakPolarHBondContact O-CG 3.22Å; F147-L151 PolarHBondContact O-N 3.04Å; F147-L151 VanDerWaalsContact O-N 3.13Å
148V94.9Very high92.5Very high3 Ų335.7 Ų35.72%0.01818%0.179CC..Hα-helixtrans-67.4-47.2-175.4174.60000110.8V73 E74 F77 K144 L152V73-V148 HydrophobicContact CG1-CB 4.21Å; V73-V148 HydrophobicContact CG1-CG1 3.99Å; V73-V148 HydrophobicContact CG1-CG2 4.26Å; E74-V148 HydrophobicContact CG-CG1 4.4Å; E74-V148 HydrophobicContact CG-CG2 4.24Å; F77-V148 HydrophobicContact CB-CG2 4.37Å; K144-V148 HydrophobicContact CG-CG2 4.1Å; K144-V148 WeakPolarHBondContact O-CB 3.34Å; K144-V148 VanDerWaalsContact O-CG2 3.3Å; K144-V148 WeakPolarHBondContact O-CG2 3.35Å; K144-V148 PolarHBondContact O-N 3.4Å; V148-L152 HydrophobicContact CG1-CD1 3.79Å; V148-L152 HydrophobicContact CG1-CG 4.4Å; V148-L152 WeakPolarHBondContact O-CB 3.38Å; V148-L152 WeakPolarHBondContact O-CG 3.39Å; V148-L152 PolarHBondContact O-N 3.21Å
149N94.4Very high93Very high56 Ų5635.6 Ų35.630%0.29918%0.178SC..Hα-helixtrans-68.5-41.4-178.7-64.7-17.4000111.7N145 L151 L152 E153N145-N149 WeakPolarHBondContact O-CB 3.44Å; N145-N149 VanDerWaalsContact O-CG 3.26Å; N145-N149 PolarHBondContact O-N 3.15Å; N145-N149 PolarHBondContact O-ND2 3.11Å; N145-N149 PolarHBondContact OD1-ND2 3.37Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 3.06Å; N149-L152 PolarHBondContact O-N 3.36Å; N149-E153 WeakPolarHBondContact O-CB 3.46Å; N149-E153 WeakPolarHBondContact O-CG 3.39Å; N149-E153 PolarHBondContact O-N 2.91Å
150G95.4Very high93.5Very high3 Ų340.2 Ų40.23%0.03120%0.199CC..Hα-helixtrans-58-46.8177.900000111.8E146 E153 M154E146-G150 WeakPolarHBondContact O-CA 3.2Å; E146-G150 PolarHBondContact O-N 3.22Å; G150-E153 PolarHBondContact O-N 3.27Å; G150-M154 VanDerWaalsContact C-CE 3.43Å; G150-M154 WeakPolarHBondContact O-CB 3.35Å; G150-M154 WeakPolarHBondContact O-CE 3.42Å; G150-M154 VanDerWaalsContact O-CG 3.22Å; G150-M154 WeakPolarHBondContact O-CG 3.42Å; G150-M154 PolarHBondContact O-N 3.48Å
151L95.8Very high94Very high3 Ų342.6 Ų42.62%0.01621%0.206CC..Hα-helixtrans-65.2-40.1177-72.3-176.7000113.1V73 F147 N149 M154 R155 C156 L162V73-L151 HydrophobicContact CG1-CB 3.81Å; V73-L151 HydrophobicContact CG1-CD1 3.93Å; V73-L151 HydrophobicContact CG1-CG 4.5Å; V73-L151 HydrophobicContact CG2-CB 4.3Å; F147-L151 HydrophobicContact CD1-CD1 3.77Å; F147-L151 HydrophobicContact CE1-CD1 3.26Å; F147-L151 HydrophobicContact CE1-CG 4.41Å; F147-L151 HydrophobicContact CE2-CD1 4.28Å; F147-L151 HydrophobicContact CG-CD1 4.49Å; F147-L151 HydrophobicContact CZ-CD1 3.56Å; F147-L151 WeakPolarHBondContact O-CB 3.2Å; F147-L151 WeakPolarHBondContact O-CG 3.22Å; F147-L151 PolarHBondContact O-N 3.04Å; F147-L151 VanDerWaalsContact O-N 3.13Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 3.06Å; L151-M154 HydrophobicContact CD2-CE 3.98Å; L151-M154 PolarHBondContact O-N 3.07Å; L151-R155 PolarHBondContact O-N 3.21Å; L151-C156 WeakPolarHBondContact CB-O 3.5Å; L151-C156 HydrophobicContact CD2-CB 4.18Å; L151-C156 PolarHBondContact O-N 2.85Å; L151-L162 HydrophobicContact CD2-CD1 4.12Å; L151-L162 HydrophobicContact CD2-CD2 3.78Å; L151-L162 HydrophobicContact CD2-CG 4.41Å
152L93.3Very high94.2Very high42 Ų4240.9 Ų40.922%0.2220%0.198CC..Hα-helixtrans-63.3-44.6175-70.3172.1000111.9V68 R70 V73 V148 N149 R155V68-L152 HydrophobicContact CB-CD2 4.11Å; V68-L152 HydrophobicContact CG1-CD2 3.78Å; R70-L152 HydrophobicContact CB-CD2 4.21Å; R70-L152 HydrophobicContact CG-CD1 4.34Å; R70-L152 HydrophobicContact CG-CD2 4.48Å; R70-L152 VanDerWaalsContact NH1-CD1 3.27Å; V73-L152 HydrophobicContact CG2-CD2 4.18Å; V148-L152 HydrophobicContact CG1-CD1 3.79Å; V148-L152 HydrophobicContact CG1-CG 4.4Å; V148-L152 WeakPolarHBondContact O-CB 3.38Å; V148-L152 WeakPolarHBondContact O-CG 3.39Å; V148-L152 PolarHBondContact O-N 3.21Å; N149-L152 PolarHBondContact O-N 3.36Å; L152-R155 PolarHBondContact O-N 3.23Å; L152-R155 VanDerWaalsContact O-N 3.15Å
153E91.6Very high94.3Very high113 Ų11345.2 Ų45.253%0.52821%0.214SC..Hα-helixtrans-64.9-41.7177.3-74.5-176.9-171.800111.8N149 G150 R155N149-E153 WeakPolarHBondContact O-CB 3.46Å; N149-E153 WeakPolarHBondContact O-CG 3.39Å; N149-E153 PolarHBondContact O-N 2.91Å; G150-E153 PolarHBondContact O-N 3.27Å; E153-R155 PolarHBondContact O-N 3.45Å
154M92.7Very high94.2Very high9 Ų948.5 Ų48.54%0.04423%0.23CC..Hα-helixtrans-72.2-10.5175.1-69.1-174.6-77.500113.6L130 K133 M134 G150 L151 C156 L162 F169L130-M154 HydrophobicContact CD1-CE 4.04Å; L130-M154 HydrophobicContact CD1-SD 4.46Å; K133-M154 HydrophobicContact CB-CE 4.49Å; K133-M154 HydrophobicContact CB-CG 4.25Å; K133-M154 HydrophobicContact CB-SD 3.58Å; K133-M154 VanDerWaalsContact CB-SD 3.58Å; K133-M154 HydrophobicContact CG-SD 4.31Å; M134-M154 HydrophobicContact CG-CE 3.52Å; M134-M154 HydrophobicContact SD-CE 4.22Å; G150-M154 VanDerWaalsContact C-CE 3.43Å; G150-M154 WeakPolarHBondContact O-CB 3.35Å; G150-M154 WeakPolarHBondContact O-CE 3.42Å; G150-M154 VanDerWaalsContact O-CG 3.22Å; G150-M154 WeakPolarHBondContact O-CG 3.42Å; G150-M154 PolarHBondContact O-N 3.48Å; L151-M154 HydrophobicContact CD2-CE 3.98Å; L151-M154 PolarHBondContact O-N 3.07Å; M154-C156 PolarHBondContact O-SG 2.97Å; M154-L162 HydrophobicContact CE-CD1 4.06Å; M154-L162 HydrophobicContact SD-CD1 4.03Å; M154-F169 HydrophobicContact CB-CZ 4.35Å; M154-F169 HydrophobicContact CG-CE2 3.87Å; M154-F169 HydrophobicContact CG-CZ 3.83Å; M154-F169 HydrophobicContact SD-CE2 3.51Å; M154-F169 VanDerWaalsContact SD-CE2 3.51Å; M154-F169 HydrophobicContact SD-CZ 4.11Å
155R91.8Very high94.1Very high129 Ų12949.6 Ų49.649%0.48723%0.234SC..THydrogen-bonded Turntrans60.746.1-175.3-53.4-173.3-175.1-164.2-0.6115.5D64 V68 L151 L152 E153D64-R155 IonicContact OD2-NH1 2.68Å; V68-R155 HydrophobicContact CG2-CB 3.52Å; V68-R155 HydrophobicContact CG2-CG 3.88Å; L151-R155 PolarHBondContact O-N 3.21Å; L152-R155 PolarHBondContact O-N 3.23Å; L152-R155 VanDerWaalsContact O-N 3.15Å; E153-R155 PolarHBondContact O-N 3.45Å
156C93.4Very high94.1Very high3 Ų344.6 Ų44.62%0.0221%0.208CC..  trans-121.3116.5-178.3-61.20000110.3V73 L151 M154 K161 L162V73-C156 WeakPolarHBondContact CG2-O 3.37Å; L151-C156 WeakPolarHBondContact CB-O 3.5Å; L151-C156 HydrophobicContact CD2-CB 4.18Å; L151-C156 PolarHBondContact O-N 2.85Å; M154-C156 PolarHBondContact O-SG 2.97Å; C156-K161 HydrophobicContact CB-CB 4.23Å; C156-L162 HydrophobicContact CB-CB 4.03Å; C156-L162 HydrophobicContact CB-CD1 4.38Å
157D93.5Very high93.8Very high8 Ų848.6 Ų48.64%0.04323%0.227CC..SBendtrans-111.92.117457.37.4000113.1V68 D69 K72 V73 L76 K161V68-D157 HydrophobicContact CG1-CB 3.78Å; D69-D157 HydrophobicContact CB-CB 4.31Å; D69-D157 PolarHBondContact N-OD2 2.68Å; D69-D157 VanDerWaalsContact N-OD2 3.1Å; K72-D157 HydrophobicContact CB-CB 4.1Å; V73-D157 HydrophobicContact CG2-CB 3.99Å; L76-D157 WeakPolarHBondContact CD1-O 3.27Å; D157-K161 VanDerWaalsContact CG-NZ 3.32Å; D157-K161 VanDerWaalsContact OD1-CD 3.22Å; D157-K161 WeakPolarHBondContact OD1-CD 3.1Å; D157-K161 WeakPolarHBondContact OD1-CE 2.9Å; D157-K161 IonicContact OD1-NZ 3.97Å; D157-K161 PolarHBondContact OD1-NZ 3.46Å; D157-K161 IonicContact OD2-NZ 2.7Å; D157-K161 PolarHBondContact OD2-NZ 2.97Å
158T94.9Very high93.6Very high40 Ų4054.9 Ų54.925%0.24525%0.254CS..SBendtrans-138.7160.8172.682.60000110.8E160 K161 L162T158-E160 VanDerWaalsContact C-N 3.3Å; T158-E160 WeakPolarHBondContact CB-OE2 3.47Å; T158-E160 PolarHBondContact O-N 3.41Å; T158-E160 PolarHBondContact OG1-N 3.05Å; T158-E160 PolarHBondContact OG1-OE2 3.09Å; T158-K161 PolarHBondContact O-N 3.32Å; T158-K161 PolarHBondContact OG1-N 3.04Å; T158-L162 PolarHBondContact O-N 3.48Å
159I95.9Very high93.4Very high19 Ų1955.1 Ų55.110%0.09726%0.255CS..Hα-helixtrans-62-38.7177.2-63.9-57.8000111L76 Y80 F114 D117 L118 L162 R163L76-I159 HydrophobicContact CD2-CD1 4.2Å; L76-I159 HydrophobicContact CD2-CG1 4.16Å; Y80-I159 HydrophobicContact CE2-CD1 4.39Å; F114-I159 HydrophobicContact CD2-CD1 4.04Å; F114-I159 HydrophobicContact CE2-CD1 3.71Å; D117-I159 HydrophobicContact CB-CG2 4.4Å; D117-I159 VanDerWaalsContact O-CG2 3.25Å; D117-I159 WeakPolarHBondContact O-CG2 3.21Å; L118-I159 HydrophobicContact CD2-CG2 3.98Å; I159-L162 PolarHBondContact O-N 3.47Å; I159-R163 HydrophobicContact CG2-CG 4.37Å; I159-R163 WeakPolarHBondContact O-CG 3.44Å; I159-R163 PolarHBondContact O-N 2.91Å
160E94.1Very high93.3Very high118 Ų11856.9 Ų56.955%0.55126%0.257SS*.Hα-helixtrans-65.5-42.1-179.6-55.674.1-160.700111.7T158 L162 R163 N164T158-E160 VanDerWaalsContact C-N 3.3Å; T158-E160 WeakPolarHBondContact CB-OE2 3.47Å; T158-E160 PolarHBondContact O-N 3.41Å; T158-E160 PolarHBondContact OG1-N 3.05Å; T158-E160 PolarHBondContact OG1-OE2 3.09Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.49Å; E160-R163 PolarHBondContact O-N 2.85Å; E160-N164 PolarHBondContact O-N 2.9Å; E160-N164 VanDerWaalsContact O-N 3.1Å; E160-N164 PolarHBondContact O-ND2 3.39Å
161K94.5Very high93Very high81 Ų8161.3 Ų61.335%0.35228%0.284SS..Hα-helixtrans-61.6-42.9174.2-73.2-173-172.1169.60110.8C156 D157 T158 N164 K165C156-K161 HydrophobicContact CB-CB 4.23Å; D157-K161 VanDerWaalsContact CG-NZ 3.32Å; D157-K161 VanDerWaalsContact OD1-CD 3.22Å; D157-K161 WeakPolarHBondContact OD1-CD 3.1Å; D157-K161 WeakPolarHBondContact OD1-CE 2.9Å; D157-K161 IonicContact OD1-NZ 3.97Å; D157-K161 PolarHBondContact OD1-NZ 3.46Å; D157-K161 IonicContact OD2-NZ 2.7Å; D157-K161 PolarHBondContact OD2-NZ 2.97Å; T158-K161 PolarHBondContact O-N 3.32Å; T158-K161 PolarHBondContact OG1-N 3.04Å; K161-N164 PolarHBondContact O-N 3.05Å; K161-K165 WeakPolarHBondContact O-CB 3.45Å; K161-K165 PolarHBondContact O-N 3.14Å
162L95.8Very high92.8Very high1 Ų164.1 Ų64.11%0.00530%0.297CS..Hα-helixtrans-64.2-46.5178.8-17859.4000111.8F114 L118 L130 L151 M154 C156 T158 I159 E160 N164 K165 L166F114-L162 HydrophobicContact CE2-CD2 4.08Å; F114-L162 HydrophobicContact CZ-CD2 3.6Å; L118-L162 HydrophobicContact CD1-CD2 4.06Å; L118-L162 HydrophobicContact CD2-CB 4.17Å; L118-L162 HydrophobicContact CD2-CD2 3.69Å; L118-L162 HydrophobicContact CD2-CG 3.9Å; L118-L162 HydrophobicContact CG-CD2 4.48Å; L130-L162 HydrophobicContact CD1-CD1 3.95Å; L130-L162 HydrophobicContact CD1-CD2 3.96Å; L130-L162 HydrophobicContact CD1-CG 4.43Å; L151-L162 HydrophobicContact CD2-CD1 4.12Å; L151-L162 HydrophobicContact CD2-CD2 3.78Å; L151-L162 HydrophobicContact CD2-CG 4.41Å; M154-L162 HydrophobicContact CE-CD1 4.06Å; M154-L162 HydrophobicContact SD-CD1 4.03Å; C156-L162 HydrophobicContact CB-CB 4.03Å; C156-L162 HydrophobicContact CB-CD1 4.38Å; T158-L162 PolarHBondContact O-N 3.48Å; I159-L162 PolarHBondContact O-N 3.47Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.49Å; L162-N164 PolarHBondContact O-N 3.1Å; L162-K165 WeakPolarHBondContact O-CA 3.34Å; L162-K165 WeakPolarHBondContact O-CB 3.24Å; L162-K165 PolarHBondContact O-N 2.88Å; L162-L166 HydrophobicContact CD1-CD1 4.46Å; L162-L166 HydrophobicContact CD1-CG 4.21Å; L162-L166 HydrophobicContact CG-CD1 4.1Å; L162-L166 HydrophobicContact CG-CG 4.34Å; L162-L166 WeakPolarHBondContact O-CG 3.39Å; L162-L166 PolarHBondContact O-N 3.24Å
163R93.9Very high92.8Very high102 Ų10262.4 Ų62.439%0.38529%0.288SS..Hα-helixtrans-55-49.8176-72.3178.666.5-169.21.4112.1L118 H119 I159 E160 K165 L166 E167L118-R163 HydrophobicContact CD2-CG 3.71Å; L118-R163 WeakPolarHBondContact O-CD 3.25Å; L118-R163 PolarHBondContact O-NE 2.86Å; H119-R163 PolarHBondContact CD2-NH1 2.84Å; H119-R163 PolarHBondContact CD2-NH2 3.23Å; H119-R163 PolarHBondContact NE2-NH1 2.99Å; H119-R163 VanDerWaalsContact NE2-NH1 3.15Å; I159-R163 HydrophobicContact CG2-CG 4.37Å; I159-R163 WeakPolarHBondContact O-CG 3.44Å; I159-R163 PolarHBondContact O-N 2.91Å; E160-R163 PolarHBondContact O-N 2.85Å; R163-K165 PolarHBondContact O-N 3.21Å; R163-L166 PolarHBondContact O-N 3.03Å; R163-E167 PolarHBondContact O-N 2.83Å
164N92.4Very high92.8Very high114 Ų11463.4 Ų63.461%0.6129%0.292SS*.Hα-helixtrans-62.3-29.1177.5-71.2-28.7000113E160 K161 L162E160-N164 PolarHBondContact O-N 2.9Å; E160-N164 VanDerWaalsContact O-N 3.1Å; E160-N164 PolarHBondContact O-ND2 3.39Å; K161-N164 PolarHBondContact O-N 3.05Å; L162-N164 PolarHBondContact O-N 3.1Å
165K92.9Very high92.9Very high69 Ų6966.6 Ų66.630%0.331%0.31SS..Hα-helixtrans-78.9-38.3178.7-165.675.9176.5-177.50111.9K161 L162 R163 E167 K168 F169K161-K165 WeakPolarHBondContact O-CB 3.45Å; K161-K165 PolarHBondContact O-N 3.14Å; L162-K165 WeakPolarHBondContact O-CA 3.34Å; L162-K165 WeakPolarHBondContact O-CB 3.24Å; L162-K165 PolarHBondContact O-N 2.88Å; R163-K165 PolarHBondContact O-N 3.21Å; K165-E167 VanDerWaalsContact C-N 3.32Å; K165-E167 PolarHBondContact O-N 3.31Å; K165-K168 WeakPolarHBondContact O-CA 3.38Å; K165-K168 WeakPolarHBondContact O-CB 3.43Å; K165-K168 PolarHBondContact O-N 2.94Å; K165-F169 HydrophobicContact CB-CE2 4.35Å; K165-F169 HydrophobicContact CD-CE1 4.38Å; K165-F169 HydrophobicContact CD-CZ 4.07Å; K165-F169 VanDerWaalsContact CE-CZ 3.44Å; K165-F169 HydrophobicContact CG-CD2 4.21Å; K165-F169 HydrophobicContact CG-CE1 4.07Å; K165-F169 HydrophobicContact CG-CE2 3.46Å; K165-F169 VanDerWaalsContact CG-CE2 3.46Å; K165-F169 HydrophobicContact CG-CZ 3.4Å; K165-F169 VanDerWaalsContact CG-CZ 3.4Å; K165-F169 PolarHBondContact O-N 2.93Å
166L92.6Very high93Very high2 Ų264.4 Ų64.41%0.0131%0.305CS..Hα-helixtrans-59.5-40.7178.7-75.2169.8000112.3L118 L120 L126 L130 L162 R163 K168 F169 R170L118-L166 HydrophobicContact CD1-CD1 4.4Å; L118-L166 HydrophobicContact CD2-CD1 4.33Å; L120-L166 HydrophobicContact CD1-CD1 3.96Å; L126-L166 HydrophobicContact CD1-CB 4.44Å; L126-L166 HydrophobicContact CD2-CB 4.3Å; L126-L166 WeakPolarHBondContact CD2-O 3.3Å; L130-L166 HydrophobicContact CB-CD2 3.9Å; L130-L166 HydrophobicContact CD1-CD2 4.09Å; L162-L166 HydrophobicContact CD1-CD1 4.46Å; L162-L166 HydrophobicContact CD1-CG 4.21Å; L162-L166 HydrophobicContact CG-CD1 4.1Å; L162-L166 HydrophobicContact CG-CG 4.34Å; L162-L166 WeakPolarHBondContact O-CG 3.39Å; L162-L166 PolarHBondContact O-N 3.24Å; R163-L166 PolarHBondContact O-N 3.03Å; L166-K168 VanDerWaalsContact C-N 3.26Å; L166-K168 PolarHBondContact O-N 3.36Å; L166-F169 HydrophobicContact CD2-CD2 4.25Å; L166-F169 PolarHBondContact O-N 3.24Å; L166-F169 VanDerWaalsContact O-N 3.09Å; L166-R170 PolarHBondContact O-N 2.98Å
167E89.8Confident93.1Very high106 Ų10669.7 Ų69.750%0.49533%0.333SS..Hα-helixtrans-60.5-35.5174-67.6-54.5143.400112.7L126 R163 K165 R170L126-E167 WeakPolarHBondContact CD1-OE1 3.45Å; R163-E167 PolarHBondContact O-N 2.83Å; K165-E167 VanDerWaalsContact C-N 3.32Å; K165-E167 PolarHBondContact O-N 3.31Å; E167-R170 WeakPolarHBondContact O-CB 3.49Å; E167-R170 PolarHBondContact O-N 2.9Å
168K91.7Very high93.3Very high131 Ų13172 Ų7257%0.5735%0.345SS*.Hα-helixtrans-69.2-39.6174.3-63.5179.7179.4-178.30111.4K165 L166 R170 T171 E172K165-K168 WeakPolarHBondContact O-CA 3.38Å; K165-K168 WeakPolarHBondContact O-CB 3.43Å; K165-K168 PolarHBondContact O-N 2.94Å; L166-K168 VanDerWaalsContact C-N 3.26Å; L166-K168 PolarHBondContact O-N 3.36Å; K168-R170 PolarHBondContact O-N 3.44Å; K168-T171 PolarHBondContact O-N 2.95Å; K168-T171 PolarHBondContact O-OG1 3.46Å; K168-E172 PolarHBondContact O-N 3.09Å
169F91.8Very high93.4Very high9 Ų970.2 Ų70.24%0.03933%0.334CS..Hα-helixtrans-64.3-29.5176.8-61.7-34.9000113.1V129 K133 M154 K165 L166 T171 E172 L173V129-F169 HydrophobicContact CG1-CB 3.57Å; V129-F169 HydrophobicContact CG1-CD2 4.48Å; V129-F169 HydrophobicContact CG1-CG 4.42Å; K133-F169 HydrophobicContact CB-CE2 4.41Å; K133-F169 HydrophobicContact CD-CD1 4.44Å; K133-F169 HydrophobicContact CD-CD2 4.43Å; K133-F169 HydrophobicContact CD-CE1 4.32Å; K133-F169 HydrophobicContact CD-CE2 4.34Å; K133-F169 HydrophobicContact CD-CG 4.47Å; K133-F169 HydrophobicContact CD-CZ 4.26Å; K133-F169 VanDerWaalsContact CE-CE1 3.5Å; K133-F169 HydrophobicContact CG-CD2 3.79Å; K133-F169 HydrophobicContact CG-CE2 3.81Å; K133-F169 HydrophobicContact CG-CG 4.21Å; K133-F169 HydrophobicContact CG-CZ 4.22Å; M154-F169 HydrophobicContact CB-CZ 4.35Å; M154-F169 HydrophobicContact CG-CE2 3.87Å; M154-F169 HydrophobicContact CG-CZ 3.83Å; M154-F169 HydrophobicContact SD-CE2 3.51Å; M154-F169 VanDerWaalsContact SD-CE2 3.51Å; M154-F169 HydrophobicContact SD-CZ 4.11Å; K165-F169 HydrophobicContact CB-CE2 4.35Å; K165-F169 HydrophobicContact CD-CE1 4.38Å; K165-F169 HydrophobicContact CD-CZ 4.07Å; K165-F169 VanDerWaalsContact CE-CZ 3.44Å; K165-F169 HydrophobicContact CG-CD2 4.21Å; K165-F169 HydrophobicContact CG-CE1 4.07Å; K165-F169 HydrophobicContact CG-CE2 3.46Å; K165-F169 VanDerWaalsContact CG-CE2 3.46Å; K165-F169 HydrophobicContact CG-CZ 3.4Å; K165-F169 VanDerWaalsContact CG-CZ 3.4Å; K165-F169 PolarHBondContact O-N 2.93Å; L166-F169 HydrophobicContact CD2-CD2 4.25Å; L166-F169 PolarHBondContact O-N 3.24Å; L166-F169 VanDerWaalsContact O-N 3.09Å; F169-T171 PolarHBondContact O-N 2.7Å; F169-E172 WeakPolarHBondContact CD1-OE1 3.5Å; F169-E172 WeakPolarHBondContact CD1-OE2 3.49Å; F169-E172 PolarHBondContact O-N 3.31Å; F169-E172 VanDerWaalsContact O-N 3.15Å; F169-L173 PolarHBondContact O-N 2.91Å
170R90.8Very high93.4Very high92 Ų9273.2 Ų73.235%0.34734%0.344SS..Hα-helixtrans-56-39.6169.3-169.4-178.8-76.1-83.35.5111.9D124 L126 L166 E167 K168D124-R170 IonicContact OD1-NH2 2.58Å; D124-R170 PolarHBondContact OD1-NH2 3.26Å; L126-R170 HydrophobicContact CD2-CB 4.08Å; L166-R170 PolarHBondContact O-N 2.98Å; E167-R170 WeakPolarHBondContact O-CB 3.49Å; E167-R170 PolarHBondContact O-N 2.9Å; K168-R170 PolarHBondContact O-N 3.44Å
171T90.7Very high93.5Very high96 Ų9671.9 Ų71.959%0.58934%0.341SS*.Hα-helixtrans-75.2-29.4177.7650000113.3K168 F169 L173 Q174K168-T171 PolarHBondContact O-N 2.95Å; K168-T171 PolarHBondContact O-OG1 3.46Å; F169-T171 PolarHBondContact O-N 2.7Å; T171-L173 PolarHBondContact O-N 2.72Å; T171-Q174 VanDerWaalsContact O-CB 3.32Å; T171-Q174 WeakPolarHBondContact O-CB 3.36Å; T171-Q174 WeakPolarHBondContact O-CG 3.38Å; T171-Q174 PolarHBondContact O-N 3.32Å
172E91.1Very high93.6Very high63 Ų6368 Ų6829%0.29432%0.324SS..Hα-helixtrans-63.8-26.4174.8-70.2178.9-16400112.5K133 K168 F169 Q174 D175 N178K133-E172 WeakPolarHBondContact CE-OE2 3.36Å; K133-E172 IonicContact NZ-OE2 2.71Å; K133-E172 PolarHBondContact NZ-OE2 3.28Å; K168-E172 PolarHBondContact O-N 3.09Å; F169-E172 WeakPolarHBondContact CD1-OE1 3.5Å; F169-E172 WeakPolarHBondContact CD1-OE2 3.49Å; F169-E172 PolarHBondContact O-N 3.31Å; F169-E172 VanDerWaalsContact O-N 3.15Å; E172-Q174 PolarHBondContact O-N 3Å; E172-D175 WeakPolarHBondContact O-CB 3.42Å; E172-D175 PolarHBondContact O-N 3.22Å; E172-D175 VanDerWaalsContact O-N 3.12Å; E172-N178 WeakPolarHBondContact O-CB 3.41Å; E172-N178 PolarHBondContact O-ND2 3.19Å
173L93.3Very high93.7Very high5 Ų568 Ų683%0.02632%0.324CS..THydrogen-bonded Turntrans-69.5-6.1174-66.8-176.5000113.9L125 V129 W132 F169 T171 D175 F179 F182 R229L125-L173 HydrophobicContact CD2-CD1 4.19Å; V129-L173 HydrophobicContact CG2-CD1 3.66Å; V129-L173 HydrophobicContact CG2-CG 4.47Å; W132-L173 HydrophobicContact CH2-CD2 4.49Å; W132-L173 HydrophobicContact CZ3-CD2 4.09Å; F169-L173 PolarHBondContact O-N 2.91Å; T171-L173 PolarHBondContact O-N 2.72Å; L173-D175 VanDerWaalsContact C-N 3.26Å; L173-F179 HydrophobicContact CB-CD2 4.35Å; L173-F179 HydrophobicContact CD2-CD2 4.4Å; L173-F182 HydrophobicContact CD1-CD1 4.27Å; L173-F182 HydrophobicContact CD1-CE1 4.14Å; L173-F182 HydrophobicContact CD1-CZ 4.48Å; L173-F182 HydrophobicContact CD2-CB 3.77Å; L173-F182 HydrophobicContact CD2-CD1 3.79Å; L173-F182 HydrophobicContact CD2-CD2 4.29Å; L173-F182 HydrophobicContact CD2-CE1 4.46Å; L173-F182 HydrophobicContact CD2-CG 3.68Å; L173-R229 PolarHBondContact O-NH2 3.36Å
174Q92.1Very high93.8Very high134 Ų13466.1 Ų66.163%0.62632%0.319SS*.THydrogen-bonded Turntrans-74.6-21.9169.9-59.1-58-44.300111.9T171 E172T171-Q174 VanDerWaalsContact O-CB 3.32Å; T171-Q174 WeakPolarHBondContact O-CB 3.36Å; T171-Q174 WeakPolarHBondContact O-CG 3.38Å; T171-Q174 PolarHBondContact O-N 3.32Å; E172-Q174 PolarHBondContact O-N 3Å
175D94.8Very high93.9Very high76 Ų7662.1 Ų62.141%0.40630%0.297SS..SBendtrans-75.1131.1171.817679.8000110.4E172 L173 D177 N178 F179E172-D175 WeakPolarHBondContact O-CB 3.42Å; E172-D175 PolarHBondContact O-N 3.22Å; E172-D175 VanDerWaalsContact O-N 3.12Å; L173-D175 VanDerWaalsContact C-N 3.26Å; D175-D177 PolarHBondContact O-N 3.42Å; D175-D177 PolarHBondContact OD2-N 3.34Å; D175-N178 HydrophobicContact CB-CB 4.16Å; D175-N178 PolarHBondContact O-N 3.37Å; D175-N178 PolarHBondContact OD2-N 3.15Å; D175-N178 PolarHBondContact OD2-ND2 2.63Å; D175-F179 WeakPolarHBondContact O-CB 3.36Å; D175-F179 PolarHBondContact O-N 3.15Å
176E94Very high94Very high84 Ų8458.9 Ų58.939%0.39328%0.283SS..Hα-helixtrans-68.8-31.9-171.9-75.2-62.5136.600113.4R180 R229 K261E176-R180 WeakPolarHBondContact O-CB 3.49Å; E176-R180 PolarHBondContact O-N 3.23Å; E176-R229 IonicContact OE1-NH1 3.02Å; E176-K261 WeakPolarHBondContact OE2-CE 3.42Å; E176-K261 IonicContact OE2-NZ 2.81Å; E176-K261 PolarHBondContact OE2-NZ 2.96Å
177D95.5Very high93.9Very high114 Ų11459.6 Ų59.661%0.6129%0.286SS*.Hα-helixtrans-75.6-43.4179.1-71.5-27.3000110.6D175 F179 R180 D181D175-D177 PolarHBondContact O-N 3.42Å; D175-D177 PolarHBondContact OD2-N 3.34Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-F179 PolarHBondContact O-N 3.45Å; D177-R180 PolarHBondContact O-N 2.87Å; D177-R180 IonicContact OD1-NH1 3.91Å; D177-R180 PolarHBondContact OD1-NH1 3.07Å; D177-D181 PolarHBondContact O-N 3.46Å
178N95.9Very high93.9Very high55 Ų5558.9 Ų58.929%0.29429%0.285SS..Hα-helixtrans-60-43.8171.3-73.6-35.3000111.9W132 E172 D175 D181 F182W132-N178 HydrophobicContact CH2-CB 4.26Å; E172-N178 WeakPolarHBondContact O-CB 3.41Å; E172-N178 PolarHBondContact O-ND2 3.19Å; D175-N178 HydrophobicContact CB-CB 4.16Å; D175-N178 PolarHBondContact O-N 3.37Å; D175-N178 PolarHBondContact OD2-N 3.15Å; D175-N178 PolarHBondContact OD2-ND2 2.63Å; N178-D181 PolarHBondContact O-N 3.4Å; N178-F182 VanDerWaalsContact O-CB 3.28Å; N178-F182 WeakPolarHBondContact O-CB 3.38Å; N178-F182 PolarHBondContact O-N 2.97Å
179F97Very high93.8Very high4 Ų453.5 Ų53.52%0.01826%0.261CS..Hα-helixtrans-65.1-40.1178.8-172.4-99.6000111.8L173 D175 D177 F182 Y183 I225 L226 L257L173-F179 HydrophobicContact CB-CD2 4.35Å; L173-F179 HydrophobicContact CD2-CD2 4.4Å; D175-F179 WeakPolarHBondContact O-CB 3.36Å; D175-F179 PolarHBondContact O-N 3.15Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-F179 PolarHBondContact O-N 3.45Å; F179-F182 HydrophobicContact CD2-CD1 4.34Å; F179-F182 HydrophobicContact CE2-CD1 4.28Å; F179-F182 PolarHBondContact O-N 2.91Å; F179-Y183 HydrophobicContact CE1-CD2 4.49Å; F179-Y183 WeakPolarHBondContact O-CB 3.35Å; F179-Y183 PolarHBondContact O-N 3.45Å; F179-I225 VanDerWaalsContact CZ-O 3.3Å; F179-I225 WeakPolarHBondContact CZ-O 3.45Å; F179-L226 HydrophobicContact CE1-CD2 4.27Å; F179-L226 HydrophobicContact CZ-CD2 4.17Å; F179-L257 HydrophobicContact CD1-CD1 4.19Å; F179-L257 HydrophobicContact CE1-CD1 3.69Å
180R96.9Very high93.5Very high82 Ų8253.6 Ų53.631%0.30926%0.264SS..Hα-helixtrans-63.2-45.1175.7-177.8178.2-73.7110.2-5.4111.7E176 D177 Y183 Q184 L257E176-R180 WeakPolarHBondContact O-CB 3.49Å; E176-R180 PolarHBondContact O-N 3.23Å; D177-R180 PolarHBondContact O-N 2.87Å; D177-R180 IonicContact OD1-NH1 3.91Å; D177-R180 PolarHBondContact OD1-NH1 3.07Å; R180-Y183 PolarHBondContact O-N 3.11Å; R180-Q184 VanDerWaalsContact O-CG 3.31Å; R180-Q184 WeakPolarHBondContact O-CG 3.3Å; R180-Q184 PolarHBondContact O-N 3.01Å; R180-L257 HydrophobicContact CB-CD2 4.42Å; R180-L257 HydrophobicContact CG-CD2 4.39Å
181D96.9Very high92.8Very high89 Ų8955.4 Ų55.448%0.47627%0.274SS..Hα-helixtrans-61-47.2176.2-176.368.2000111.4W132 D177 N178 Y183 Q184 F185W132-D181 PolarHBondContact NE1-OD2 2.93Å; D177-D181 PolarHBondContact O-N 3.46Å; N178-D181 PolarHBondContact O-N 3.4Å; D181-Y183 PolarHBondContact O-N 2.89Å; D181-Q184 PolarHBondContact O-N 3.45Å; D181-F185 WeakPolarHBondContact O-CB 3.45Å; D181-F185 PolarHBondContact O-N 3.07Å
182F96.6Very high91.4Very high0 Ų051.3 Ų51.30%025%0.249CC..Hα-helixtrans-57.9-44.6174.8173-108.8000112.9L125 L128 V129 W132 L173 N178 F179 F185 T186 I225L125-F182 HydrophobicContact CD1-CE1 4.03Å; L125-F182 HydrophobicContact CD1-CZ 3.87Å; L128-F182 HydrophobicContact CB-CE2 4.3Å; L128-F182 HydrophobicContact CB-CZ 4.16Å; L128-F182 HydrophobicContact CD2-CE1 4.47Å; L128-F182 HydrophobicContact CD2-CE2 4.2Å; L128-F182 HydrophobicContact CD2-CZ 3.67Å; L128-F182 HydrophobicContact CG-CE2 3.71Å; L128-F182 HydrophobicContact CG-CZ 3.65Å; V129-F182 HydrophobicContact CB-CE2 4.49Å; V129-F182 HydrophobicContact CG2-CE2 3.85Å; V129-F182 HydrophobicContact CG2-CZ 4Å; W132-F182 HydrophobicContact CB-CD2 3.74Å; W132-F182 HydrophobicContact CB-CE2 4.12Å; W132-F182 HydrophobicContact CD2-CB 4.13Å; W132-F182 AromaticContact CD2-CD2 3.79Å; W132-F182 HydrophobicContact CD2-CD2 3.79Å; W132-F182 HydrophobicContact CD2-CG 4.45Å; W132-F182 HydrophobicContact CE3-CB 4.43Å; W132-F182 AromaticContact CE3-CD2 3.9Å; W132-F182 HydrophobicContact CE3-CD2 3.9Å; W132-F182 AromaticContact CG-CD2 3.73Å; W132-F182 HydrophobicContact CG-CD2 3.73Å; W132-F182 HydrophobicContact CZ2-CB 4.36Å; L173-F182 HydrophobicContact CD1-CD1 4.27Å; L173-F182 HydrophobicContact CD1-CE1 4.14Å; L173-F182 HydrophobicContact CD1-CZ 4.48Å; L173-F182 HydrophobicContact CD2-CB 3.77Å; L173-F182 HydrophobicContact CD2-CD1 3.79Å; L173-F182 HydrophobicContact CD2-CD2 4.29Å; L173-F182 HydrophobicContact CD2-CE1 4.46Å; L173-F182 HydrophobicContact CD2-CG 3.68Å; N178-F182 VanDerWaalsContact O-CB 3.28Å; N178-F182 WeakPolarHBondContact O-CB 3.38Å; N178-F182 PolarHBondContact O-N 2.97Å; F179-F182 HydrophobicContact CD2-CD1 4.34Å; F179-F182 HydrophobicContact CE2-CD1 4.28Å; F179-F182 PolarHBondContact O-N 2.91Å; F182-F185 PolarHBondContact O-N 3.19Å; F182-T186 PolarHBondContact O-N 2.9Å; F182-T186 VanDerWaalsContact O-N 3.08Å; F182-T186 PolarHBondContact O-OG1 2.87Å; F182-I225 HydrophobicContact CE1-CB 4.13Å; F182-I225 HydrophobicContact CE1-CG2 3.65Å; F182-I225 HydrophobicContact CZ-CG2 4.03Å
183Y97.1Very high89.7Confident1 Ų154.4 Ų54.40%0.00428%0.275CS..Hα-helixtrans-62.7-43.9178.3-177.2-92.3000111.8F179 R180 D181 T186 W222 I225 L226 W253 L257F179-Y183 HydrophobicContact CE1-CD2 4.49Å; F179-Y183 WeakPolarHBondContact O-CB 3.35Å; F179-Y183 PolarHBondContact O-N 3.45Å; R180-Y183 PolarHBondContact O-N 3.11Å; D181-Y183 PolarHBondContact O-N 2.89Å; Y183-T186 WeakPolarHBondContact O-CB 3.36Å; Y183-T186 PolarHBondContact O-N 3.43Å; Y183-W222 AromaticContact CE2-CD1 3.96Å; Y183-W222 AromaticContact CZ-NE1 3.72Å; Y183-W222 PolarHBondContact OH-NE1 2.97Å; Y183-I225 HydrophobicContact CD2-CD1 3.42Å; Y183-I225 VanDerWaalsContact CD2-CD1 3.42Å; Y183-I225 HydrophobicContact CD2-CG1 3.97Å; Y183-I225 HydrophobicContact CE2-CD1 3.61Å; Y183-I225 HydrophobicContact CE2-CG1 4.12Å; Y183-I225 HydrophobicContact CG-CD1 4.42Å; Y183-L226 HydrophobicContact CD2-CD2 4.13Å; Y183-L226 HydrophobicContact CE2-CD1 4.11Å; Y183-L226 HydrophobicContact CE2-CD2 3.77Å; Y183-L226 HydrophobicContact CE2-CG 4.04Å; Y183-W253 AromaticContact CD1-CD1 3.79Å; Y183-W253 AromaticContact CD1-NE1 3.37Å; Y183-W253 AromaticContact CE1-CD1 3.27Å; Y183-W253 HydrophobicContact CE1-CD2 4.41Å; Y183-W253 AromaticContact CE1-CE2 3.88Å; Y183-W253 HydrophobicContact CE1-CG 4.07Å; Y183-W253 AromaticContact CE1-NE1 3.12Å; Y183-W253 WeakPolarHBondContact CE1-O 3.32Å; Y183-W253 HydrophobicContact CE2-CZ2 4.27Å; Y183-W253 AromaticContact CG-NE1 3.98Å; Y183-W253 AromaticContact CZ-CD1 3.91Å; Y183-W253 AromaticContact CZ-CE2 3.82Å; Y183-W253 AromaticContact CZ-NE1 3.55Å; Y183-W253 PolarHBondContact O-NE1 3.47Å; Y183-W253 PolarHBondContact OH-O 3.4Å; Y183-L257 HydrophobicContact CD1-CB 3.9Å; Y183-L257 HydrophobicContact CD1-CD2 3.8Å; Y183-L257 HydrophobicContact CD1-CG 4.42Å; Y183-L257 HydrophobicContact CD2-CD2 4.45Å; Y183-L257 HydrophobicContact CE1-CB 3.58Å; Y183-L257 HydrophobicContact CE1-CD2 4.37Å; Y183-L257 HydrophobicContact CE2-CB 4.25Å; Y183-L257 HydrophobicContact CG-CB 4.36Å; Y183-L257 HydrophobicContact CG-CD2 3.85Å
184Q95.4Very high87.6Confident62 Ų6258.3 Ų58.329%0.2930%0.299SS..Hα-helixtrans-69.9-38.1178.1-69.3-177.96.400112.5R180 D181 T186 F187R180-Q184 VanDerWaalsContact O-CG 3.31Å; R180-Q184 WeakPolarHBondContact O-CG 3.3Å; R180-Q184 PolarHBondContact O-N 3.01Å; D181-Q184 PolarHBondContact O-N 3.45Å; Q184-T186 VanDerWaalsContact C-N 3.28Å; Q184-T186 PolarHBondContact O-N 3.4Å; Q184-F187 PolarHBondContact O-N 2.86Å
185F94.8Very high85.5Confident31 Ų3153.5 Ų53.514%0.13628%0.277CS..Hα-helixtrans-56-44.8173166.8-92.8000111.3L128 A131 W132 A136 D181 F182 F187 L188 F189L128-F185 HydrophobicContact CD1-CE1 4.35Å; A131-F185 HydrophobicContact CB-CE1 4.28Å; A131-F185 HydrophobicContact CB-CZ 4.32Å; A131-F185 WeakPolarHBondContact O-CZ 3.08Å; W132-F185 VanDerWaalsContact CA-CE1 3.4Å; W132-F185 HydrophobicContact CB-CD1 3.64Å; W132-F185 HydrophobicContact CB-CE1 3.73Å; W132-F185 HydrophobicContact CB-CG 4.19Å; W132-F185 HydrophobicContact CB-CZ 4.34Å; W132-F185 AromaticContact CD1-CD1 3.98Å; W132-F185 AromaticContact CD1-CG 3.67Å; W132-F185 HydrophobicContact CG-CD1 4.18Å; W132-F185 HydrophobicContact CG-CG 4.31Å; A136-F185 VanDerWaalsContact O-CE2 3.24Å; A136-F185 WeakPolarHBondContact O-CE2 3.42Å; A136-F185 VanDerWaalsContact O-CZ 3.25Å; A136-F185 WeakPolarHBondContact O-CZ 3.2Å; D181-F185 WeakPolarHBondContact O-CB 3.45Å; D181-F185 PolarHBondContact O-N 3.07Å; F182-F185 PolarHBondContact O-N 3.19Å; F185-F187 VanDerWaalsContact C-N 3.28Å; F185-F187 PolarHBondContact O-N 3.39Å; F185-L188 PolarHBondContact O-N 3.24Å; F185-F189 HydrophobicContact CD1-CB 4.34Å; F185-F189 HydrophobicContact CE1-CB 3.8Å; F185-F189 HydrophobicContact CE1-CD1 4.45Å; F185-F189 HydrophobicContact CE1-CD2 4.23Å; F185-F189 AromaticContact CE1-CG 3.92Å; F185-F189 HydrophobicContact CE1-CG 3.92Å; F185-F189 HydrophobicContact CZ-CB 3.93Å; F185-F189 AromaticContact CZ-CD2 3.85Å; F185-F189 HydrophobicContact CZ-CD2 3.85Å; F185-F189 AromaticContact CZ-CG 3.99Å; F185-F189 HydrophobicContact CZ-CG 3.99Å; F185-F189 PolarHBondContact O-N 3.41Å
186T94.5Very high82.9Confident0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-56.9-39.1-175.3-60.40000112.6L128 F182 Y183 Q184 L188 F189 A190 Y221 I225 W253L128-T186 HydrophobicContact CD1-CG2 4.33Å; L128-T186 HydrophobicContact CD2-CG2 3.77Å; F182-T186 PolarHBondContact O-N 2.9Å; F182-T186 VanDerWaalsContact O-N 3.08Å; F182-T186 PolarHBondContact O-OG1 2.87Å; Y183-T186 WeakPolarHBondContact O-CB 3.36Å; Y183-T186 PolarHBondContact O-N 3.43Å; Q184-T186 VanDerWaalsContact C-N 3.28Å; Q184-T186 PolarHBondContact O-N 3.4Å; T186-L188 PolarHBondContact O-N 2.98Å; T186-F189 PolarHBondContact O-N 3.46Å; T186-A190 VanDerWaalsContact O-CB 3.24Å; T186-A190 WeakPolarHBondContact O-CB 3.24Å; T186-A190 PolarHBondContact O-N 3.23Å; T186-Y221 HydrophobicContact CG2-CD1 3.44Å; T186-Y221 VanDerWaalsContact CG2-CD1 3.44Å; T186-Y221 HydrophobicContact CG2-CE1 4.07Å; T186-Y221 HydrophobicContact CG2-CG 3.7Å; T186-I225 HydrophobicContact CG2-CD1 4.17Å; T186-W253 HydrophobicContact CG2-CH2 4.12Å; T186-W253 HydrophobicContact CG2-CZ2 3.85Å
187F92Very high80.1Confident18 Ų1857.4 Ų57.48%0.07930%0.303CS..Hα-helixtrans-60.1-45.3176.9178.5-97.2000112.8Q184 F185 K191 I248 R250 W253Q184-F187 PolarHBondContact O-N 2.86Å; F185-F187 VanDerWaalsContact C-N 3.28Å; F185-F187 PolarHBondContact O-N 3.39Å; F187-K191 HydrophobicContact CE1-CD 3.97Å; F187-K191 HydrophobicContact CZ-CD 3.94Å; F187-K191 WeakPolarHBondContact O-CB 3.39Å; F187-K191 PolarHBondContact O-N 3.43Å; F187-K191 VanDerWaalsContact O-N 3.11Å; F187-I248 HydrophobicContact CE2-CG2 4.41Å; F187-R250 HydrophobicContact CD1-CB 4.01Å; F187-R250 HydrophobicContact CD1-CG 3.91Å; F187-R250 HydrophobicContact CE1-CB 3.51Å; F187-R250 HydrophobicContact CE1-CG 3.93Å; F187-R250 HydrophobicContact CZ-CB 3.9Å; F187-W253 HydrophobicContact CB-CD2 3.89Å; F187-W253 HydrophobicContact CB-CG 3.81Å; F187-W253 HydrophobicContact CD2-CB 3.63Å; F187-W253 AromaticContact CD2-CD2 3.75Å; F187-W253 HydrophobicContact CD2-CD2 3.75Å; F187-W253 AromaticContact CD2-CE3 3.94Å; F187-W253 HydrophobicContact CD2-CE3 3.94Å; F187-W253 AromaticContact CD2-CG 3.62Å; F187-W253 HydrophobicContact CD2-CG 3.62Å; F187-W253 HydrophobicContact CE2-CB 4.12Å; F187-W253 HydrophobicContact CG-CB 4.25Å; F187-W253 HydrophobicContact CG-CD2 4.27Å; F187-W253 AromaticContact CG-CG 4Å; F187-W253 HydrophobicContact CG-CG 4Å
188L89.9Confident77.5Confident90 Ų9054.6 Ų54.647%0.47129%0.288SS..Hα-helixtrans-69.2-41.1-179.3-64.6176000111.1F185 T186 A190 K191F185-L188 PolarHBondContact O-N 3.24Å; T186-L188 PolarHBondContact O-N 2.98Å; L188-A190 VanDerWaalsContact C-N 3.35Å; L188-K191 PolarHBondContact O-N 3.08Å
189F88.9Confident74.7Confident18 Ų1853 Ų538%0.07928%0.282CS..Hα-helixtrans-62.7-41177.2-176.9-110.2000112.3L128 A131 A136 T138 Q139 F185 T186L128-F189 HydrophobicContact CD1-CD1 3.61Å; L128-F189 HydrophobicContact CD1-CE1 3.83Å; A131-F189 HydrophobicContact CB-CD2 4.41Å; A131-F189 HydrophobicContact CB-CE1 4.01Å; A131-F189 HydrophobicContact CB-CE2 3.74Å; A131-F189 HydrophobicContact CB-CZ 3.49Å; A131-F189 VanDerWaalsContact CB-CZ 3.49Å; A136-F189 HydrophobicContact CB-CD2 4.26Å; A136-F189 HydrophobicContact CB-CE2 3.76Å; A136-F189 WeakPolarHBondContact O-CD2 3.4Å; T138-F189 VanDerWaalsContact C-CE2 3.41Å; T138-F189 WeakPolarHBondContact O-CE2 3.46Å; Q139-F189 HydrophobicContact CB-CD1 4.22Å; Q139-F189 HydrophobicContact CB-CE1 3.71Å; Q139-F189 HydrophobicContact CB-CE2 4.17Å; Q139-F189 HydrophobicContact CB-CZ 3.69Å; F185-F189 HydrophobicContact CD1-CB 4.34Å; F185-F189 HydrophobicContact CE1-CB 3.8Å; F185-F189 HydrophobicContact CE1-CD1 4.45Å; F185-F189 HydrophobicContact CE1-CD2 4.23Å; F185-F189 AromaticContact CE1-CG 3.92Å; F185-F189 HydrophobicContact CE1-CG 3.92Å; F185-F189 HydrophobicContact CZ-CB 3.93Å; F185-F189 AromaticContact CZ-CD2 3.85Å; F185-F189 HydrophobicContact CZ-CD2 3.85Å; F185-F189 AromaticContact CZ-CG 3.99Å; F185-F189 HydrophobicContact CZ-CG 3.99Å; F185-F189 PolarHBondContact O-N 3.41Å; T186-F189 PolarHBondContact O-N 3.46Å
190A85.1Confident71.8Confident11 Ų1157.3 Ų57.39%0.09131%0.305CS..Hα-helixtrans-66.9-43.8177.600000112.2Q139 T186 L188 S192 M217 Y221Q139-A190 PolarHBondContact NE2-O 3.41Å; T186-A190 VanDerWaalsContact O-CB 3.24Å; T186-A190 WeakPolarHBondContact O-CB 3.24Å; T186-A190 PolarHBondContact O-N 3.23Å; L188-A190 VanDerWaalsContact C-N 3.35Å; A190-S192 PolarHBondContact O-N 3.38Å; A190-M217 HydrophobicContact CB-CG 4.32Å; A190-M217 HydrophobicContact CB-SD 3.94Å; A190-Y221 HydrophobicContact CB-CD2 3.56Å; A190-Y221 HydrophobicContact CB-CE2 3.33Å
191K76.1Confident69.3Low130 Ų13059 Ų5957%0.56532%0.319SS*.THydrogen-bonded Turntrans-69.49-172.6-166.2169.6176.5130.30115.4F187 L188F187-K191 HydrophobicContact CE1-CD 3.97Å; F187-K191 HydrophobicContact CZ-CD 3.94Å; F187-K191 WeakPolarHBondContact O-CB 3.39Å; F187-K191 PolarHBondContact O-N 3.43Å; F187-K191 VanDerWaalsContact O-N 3.11Å; L188-K191 PolarHBondContact O-N 3.08Å
192S61.8Low66.6Low10 Ų1059.2 Ų59.27%0.0732%0.323CS..  trans-51.2133.2-165-179.30000114.9T138 A190 T194T138-S192 WeakPolarHBondContact CB-OG 3.39Å; T138-S192 WeakPolarHBondContact CG2-OG 3.29Å; T138-S192 PolarHBondContact OG1-OG 3.3Å; A190-S192 PolarHBondContact O-N 3.38Å; S192-T194 PolarHBondContact O-N 2.86Å; S192-T194 VanDerWaalsContact O-N 3.1Å; S192-T194 PolarHBondContact OG-OG1 3.42Å
193P55.8Low64.1Low128 Ų12863.5 Ų63.583%0.83134%0.342SS*.THydrogen-bonded Turntrans-65.8-12.4-172.824-34.3000115.7
194T48.8Very low61.3Low88 Ų8873.9 Ų73.954%0.5438%0.381SS..THydrogen-bonded Turntrans-89-2.4-172.421.70000114.9S192 K196S192-T194 PolarHBondContact O-N 2.86Å; S192-T194 VanDerWaalsContact O-N 3.1Å; S192-T194 PolarHBondContact OG-OG1 3.42Å; T194-K196 PolarHBondContact O-N 3.3Å
195Q48.4Very low58.7Low32 Ų3280.8 Ų80.815%0.1541%0.411CS..THydrogen-bonded Turntrans-95.158.3-172.4-79-161.42.500115.5Q139 L198 A199Q139-Q195 VanDerWaalsContact CG-NE2 3.31Å; Q195-L198 HydrophobicContact CG-CB 4.23Å; Q195-A199 HydrophobicContact CB-CB 4.23Å
196K39.1Very low56.1Low193 Ų19382.8 Ų82.884%0.83943%0.428SS*.THydrogen-bonded Turntrans-86.4-19.6150.5-75.8-173.2178.7179.50112.8T194T194-K196 PolarHBondContact O-N 3.3Å
197G36.6Very low53.6Low49 Ų4987 Ų8751%0.50546%0.463SS..SBendtrans-109.2-34.6-175.600000116
198L39.8Very low51.2Low56 Ų5693.1 Ų93.129%0.29349%0.49SS..SBendtrans-95-19.5-172.8-73.5169.7000114.7P108 Q195 L200 I201P108-L198 HydrophobicContact CG-CD1 3.87Å; P108-L198 HydrophobicContact CG-CD2 3.92Å; Q195-L198 HydrophobicContact CG-CB 4.23Å; L198-L200 PolarHBondContact O-N 2.89Å; L198-L200 VanDerWaalsContact O-N 3.07Å; L198-I201 HydrophobicContact CD2-CD1 3.55Å; L198-I201 HydrophobicContact CD2-CG1 4.28Å; L198-I201 PolarHBondContact O-N 3.17Å
199A37.9Very low49Very low22 Ų2293.6 Ų93.618%0.18249%0.493CS..Hα-helixtrans-56.3-23.2169.900000112.3Q195 I201 F203Q195-A199 HydrophobicContact CB-CB 4.23Å; A199-I201 VanDerWaalsContact C-N 3.35Å; A199-F203 PolarHBondContact O-N 2.83Å
200L36Very low47.3Very low93 Ų9397 Ų9749%0.48752%0.519SS..Hα-helixtrans-72-21.4174.9-78.8163.4000114.4L198 A207L198-L200 PolarHBondContact O-N 2.89Å; L198-L200 VanDerWaalsContact O-N 3.07Å; L200-A207 HydrophobicContact CD2-CB 3.62Å
201I42.9Very low45.8Very low118 Ų118101 Ų10161%0.60554%0.535SS*.Hα-helixtrans-92.1-35.6-170.7-49.6-171000111.5L198 A199L198-I201 HydrophobicContact CD2-CD1 3.55Å; L198-I201 HydrophobicContact CD2-CG1 4.28Å; L198-I201 PolarHBondContact O-N 3.17Å; A199-I201 VanDerWaalsContact C-N 3.35Å
202V41.5Very low44.8Very low94 Ų9497 Ų9757%0.5752%0.518SS*.Hα-helixtrans-81.3-33.5175.1-174.50000111.1
203F42.8Very low44.9Very low89 Ų8998.3 Ų98.339%0.3953%0.53SS..  trans-105.975.6176.6-71.4-84.5000111A199 F205A199-F203 PolarHBondContact O-N 2.83Å; F203-F205 PolarHBondContact O-N 2.75Å
204R39.1Very low45.9Very low220 Ų22096 Ų9683%0.8351%0.51SS*.THydrogen-bonded Turntrans-65.313.5-177.3-131.7178.2172.3178.8-2.5115.5
205F41.8Very low47.6Very low207 Ų20791.9 Ų91.991%0.90849%0.485SS*.THydrogen-bonded Turntrans-137.12.6-174.1-96.2-82.1000117.6F203F203-F205 PolarHBondContact O-N 2.75Å
206S39.9Very low49.3Very low73 Ų7392.8 Ų92.851%0.5149%0.489SS..  trans-147.475.3177.956.40000114.3F208S206-F208 PolarHBondContact O-N 2.72Å
207A41Very low51.5Low88 Ų8884.4 Ų84.473%0.72745%0.453SS*.  trans-71.639.8166.700000113.2L200L200-A207 HydrophobicContact CD2-CB 3.62Å
208F41.1Very low54.1Low146 Ų14682.4 Ų82.464%0.6443%0.432SS*.SBendtrans-122.1100.2-175.8-156.2-104.7000111S206 F212S206-F208 PolarHBondContact O-N 2.72Å; F208-F212 WeakPolarHBondContact O-CB 3.43Å; F208-F212 WeakPolarHBondContact O-CD2 3.5Å; F208-F212 WeakPolarHBondContact O-CG 3.29Å
209N44.1Very low56.6Low101 Ų10180 Ų8054%0.5442%0.42SS..  trans67133.1167.2-76.9-56.2000117.7Q211 F212N209-Q211 VanDerWaalsContact C-N 3.33Å; N209-Q211 PolarHBondContact O-N 2.86Å; N209-F212 HydrophobicContact CB-CD2 2.98Å; N209-F212 HydrophobicContact CB-CE2 3.08Å; N209-F212 HydrophobicContact CB-CG 4.14Å; N209-F212 HydrophobicContact CB-CZ 4.3Å; N209-F212 VanDerWaalsContact O-CB 3.32Å; N209-F212 WeakPolarHBondContact O-CB 3.38Å; N209-F212 WeakPolarHBondContact O-CD2 3.33Å; N209-F212 PolarHBondContact O-N 3.38Å; N209-F212 VanDerWaalsContact O-N 3.15Å
210S53Low59.1Low88 Ų8880.5 Ų80.562%0.61543%0.427SS*.Hα-helixtrans-61.1-31.1-173.7-169.40000115.2F212S210-F212 VanDerWaalsContact C-N 3.27Å; S210-F212 PolarHBondContact O-N 3.29Å
211Q54.3Low61.9Low95 Ų9577.6 Ų77.644%0.44441%0.41SS..Hα-helixtrans-72.5-24.8-179.2-172.3172.230.900112.6N209 R245N209-Q211 VanDerWaalsContact C-N 3.33Å; N209-Q211 PolarHBondContact O-N 2.86Å; Q211-R245 PolarHBondContact NE2-O 2.85Å
212F56.2Low64.4Low48 Ų4872 Ų7221%0.21138%0.381CS..Hα-helixtrans-74.6-34.7-179.1-60.6-90.3000110.9F208 N209 S210 D214 V215 E216 R245F208-F212 WeakPolarHBondContact O-CB 3.43Å; F208-F212 WeakPolarHBondContact O-CD2 3.5Å; F208-F212 WeakPolarHBondContact O-CG 3.29Å; N209-F212 HydrophobicContact CB-CD2 2.98Å; N209-F212 HydrophobicContact CB-CE2 3.08Å; N209-F212 HydrophobicContact CB-CG 4.14Å; N209-F212 HydrophobicContact CB-CZ 4.3Å; N209-F212 VanDerWaalsContact O-CB 3.32Å; N209-F212 WeakPolarHBondContact O-CB 3.38Å; N209-F212 WeakPolarHBondContact O-CD2 3.33Å; N209-F212 PolarHBondContact O-N 3.38Å; N209-F212 VanDerWaalsContact O-N 3.15Å; S210-F212 VanDerWaalsContact C-N 3.27Å; S210-F212 PolarHBondContact O-N 3.29Å; F212-D214 VanDerWaalsContact C-N 3.3Å; F212-D214 PolarHBondContact O-N 3.35Å; F212-V215 PolarHBondContact O-N 3.34Å; F212-E216 WeakPolarHBondContact O-CB 3.27Å; F212-E216 VanDerWaalsContact O-CG 3.3Å; F212-E216 WeakPolarHBondContact O-CG 3.49Å; F212-E216 PolarHBondContact O-N 2.73Å; F212-R245 HydrophobicContact CD1-CG 4.42Å; F212-R245 VanDerWaalsContact CD1-NE 3.29Å; F212-R245 HydrophobicContact CE1-CG 4.43Å
213A63.8Low66.9Low37 Ų3771.7 Ų71.731%0.30637%0.37SS..Hα-helixtrans-59.3-40.7176.100000111.9M217A213-M217 WeakPolarHBondContact O-CB 3.28Å; A213-M217 PolarHBondContact O-N 3.34Å
214D76.3Confident69.4Low78 Ų7869.9 Ų69.942%0.41736%0.364SS..Hα-helixtrans-65.4-44.7-177.9-69.8-7000112.5F212 A218F212-D214 VanDerWaalsContact C-N 3.3Å; F212-D214 PolarHBondContact O-N 3.35Å; D214-A218 WeakPolarHBondContact O-CB 3.41Å; D214-A218 PolarHBondContact O-N 3.24Å
215V84.5Confident72Confident3 Ų359.6 Ų59.62%0.01833%0.325CS..Hα-helixtrans-71.3-45.2-179.5178.40000110.8F212 M217 A218 I219 L240 R245F212-V215 PolarHBondContact O-N 3.34Å; V215-M217 VanDerWaalsContact C-N 3.29Å; V215-M217 PolarHBondContact O-N 3.07Å; V215-A218 PolarHBondContact O-N 3.12Å; V215-I219 HydrophobicContact CG1-CD1 3.96Å; V215-I219 HydrophobicContact CG1-CG1 4.47Å; V215-I219 VanDerWaalsContact O-CG1 3.29Å; V215-I219 WeakPolarHBondContact O-CG1 3.3Å; V215-I219 PolarHBondContact O-N 3.16Å; V215-L240 HydrophobicContact CG1-CB 4.09Å; V215-R245 HydrophobicContact CG2-CB 4.46Å
216E84.5Confident74.6Confident50 Ų5049.7 Ų49.723%0.23428%0.282CS..Hα-helixtrans-63-37.8177.7-67.3-60.714900111.6F212 I219 G220F212-E216 WeakPolarHBondContact O-CB 3.27Å; F212-E216 VanDerWaalsContact O-CG 3.3Å; F212-E216 WeakPolarHBondContact O-CG 3.49Å; F212-E216 PolarHBondContact O-N 2.73Å; E216-I219 PolarHBondContact O-N 3.5Å; E216-G220 PolarHBondContact O-N 3.18Å
217M85.2Confident77.2Confident17 Ų1749.2 Ų49.28%0.08428%0.282CS..Hα-helixtrans-66.2-44.6174.3-173.8-179-63.900111.7Q139 A190 A213 V215 I219 G220 Y221Q139-M217 PolarHBondContact NE2-SD 3.3Å; A190-M217 HydrophobicContact CB-CG 4.32Å; A190-M217 HydrophobicContact CB-SD 3.94Å; A213-M217 WeakPolarHBondContact O-CB 3.28Å; A213-M217 PolarHBondContact O-N 3.34Å; V215-M217 VanDerWaalsContact C-N 3.29Å; V215-M217 PolarHBondContact O-N 3.07Å; M217-I219 VanDerWaalsContact C-N 3.3Å; M217-I219 PolarHBondContact O-N 2.75Å; M217-G220 PolarHBondContact O-N 3.1Å; M217-Y221 HydrophobicContact CG-CD2 3.79Å; M217-Y221 HydrophobicContact CG-CE2 3.66Å; M217-Y221 VanDerWaalsContact O-CD2 3.29Å; M217-Y221 WeakPolarHBondContact O-CD2 3.37Å; M217-Y221 PolarHBondContact O-N 3.21Å; M217-Y221 HydrophobicContact SD-CE2 4.22Å
218A90.5Very high79.7Confident8 Ų849.4 Ų49.47%0.06629%0.293CS..Hα-helixtrans-59.4-42.817500000111.4D214 V215 Y221 W222 I248 W253D214-A218 WeakPolarHBondContact O-CB 3.41Å; D214-A218 PolarHBondContact O-N 3.24Å; V215-A218 PolarHBondContact O-N 3.12Å; A218-Y221 PolarHBondContact O-N 2.71Å; A218-W222 VanDerWaalsContact C-CE3 3.42Å; A218-W222 HydrophobicContact CB-CE3 3.9Å; A218-W222 HydrophobicContact CB-CH2 4.02Å; A218-W222 HydrophobicContact CB-CZ3 3.53Å; A218-W222 WeakPolarHBondContact O-CB 3.3Å; A218-W222 PolarHBondContact O-N 3.07Å; A218-I248 HydrophobicContact CB-CG1 4.09Å; A218-W253 HydrophobicContact CB-CZ3 4.06Å
219I92Very high82.3Confident5 Ų546.2 Ų46.23%0.02628%0.277CS..Hα-helixtrans-58-49.3173.1-71.3166.3000110.9V215 E216 M217 Y221 W222 R223 C237 L240 Q241V215-I219 HydrophobicContact CG1-CD1 3.96Å; V215-I219 HydrophobicContact CG1-CG1 4.47Å; V215-I219 VanDerWaalsContact O-CG1 3.29Å; V215-I219 WeakPolarHBondContact O-CG1 3.3Å; V215-I219 PolarHBondContact O-N 3.16Å; E216-I219 PolarHBondContact O-N 3.5Å; M217-I219 VanDerWaalsContact C-N 3.3Å; M217-I219 PolarHBondContact O-N 2.75Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 2.99Å; I219-W222 PolarHBondContact O-N 3.04Å; I219-R223 HydrophobicContact CG2-CG 4.31Å; I219-R223 WeakPolarHBondContact O-CB 3.39Å; I219-R223 WeakPolarHBondContact O-CG 3.35Å; I219-R223 PolarHBondContact O-N 2.86Å; I219-C237 HydrophobicContact CG2-CB 4.01Å; I219-L240 HydrophobicContact CD1-CB 3.89Å; I219-L240 HydrophobicContact CG1-CB 4.18Å; I219-L240 HydrophobicContact CG1-CD1 3.98Å; I219-Q241 HydrophobicContact CD1-CG 3.64Å
220G91.1Very high84.8Confident33 Ų3341.8 Ų41.834%0.3425%0.253SS..Hα-helixtrans-56.3-47.8178.700000112.3E216 M217 R223 L224E216-G220 PolarHBondContact O-N 3.18Å; M217-G220 PolarHBondContact O-N 3.1Å; G220-R223 PolarHBondContact O-N 3.32Å; G220-L224 PolarHBondContact O-N 3.37Å; G220-L224 VanDerWaalsContact O-N 3.09Å
221Y93.8Very high86.8Confident32 Ų3244 Ų4413%0.12525%0.251CS..Hα-helixtrans-68.1-40.7177.7-79.6-68.1000113.3L128 T186 A190 M217 A218 I219 L224 I225L128-Y221 HydrophobicContact CD1-CD1 4.45Å; L128-Y221 HydrophobicContact CD1-CE1 3.85Å; L128-Y221 HydrophobicContact CD2-CD1 3.71Å; L128-Y221 HydrophobicContact CD2-CE1 3.89Å; L128-Y221 HydrophobicContact CG-CE1 4.44Å; T186-Y221 HydrophobicContact CG2-CD1 3.44Å; T186-Y221 VanDerWaalsContact CG2-CD1 3.44Å; T186-Y221 HydrophobicContact CG2-CE1 4.07Å; T186-Y221 HydrophobicContact CG2-CG 3.7Å; A190-Y221 HydrophobicContact CB-CD2 3.56Å; A190-Y221 HydrophobicContact CB-CE2 3.33Å; M217-Y221 HydrophobicContact CG-CD2 3.79Å; M217-Y221 HydrophobicContact CG-CE2 3.66Å; M217-Y221 VanDerWaalsContact O-CD2 3.29Å; M217-Y221 WeakPolarHBondContact O-CD2 3.37Å; M217-Y221 PolarHBondContact O-N 3.21Å; M217-Y221 HydrophobicContact SD-CE2 4.22Å; A218-Y221 PolarHBondContact O-N 2.71Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 2.99Å; Y221-L224 WeakPolarHBondContact O-CB 3.38Å; Y221-L224 PolarHBondContact O-N 3.07Å; Y221-L224 VanDerWaalsContact O-N 3.17Å; Y221-I225 VanDerWaalsContact O-CG1 3.27Å; Y221-I225 WeakPolarHBondContact O-CG1 3.44Å; Y221-I225 WeakPolarHBondContact O-CG2 3.49Å; Y221-I225 PolarHBondContact O-N 3.31Å
222W95.9Very high88.9Confident0 Ų039.7 Ų39.70%023%0.231CC..Hα-helixtrans-62.7-43.2174.9-78.5-42.3000112.1Y183 A218 I219 L224 I225 L226 L233 W236 L240 I248 W253 V256Y183-W222 AromaticContact CE2-CD1 3.96Å; Y183-W222 AromaticContact CZ-NE1 3.72Å; Y183-W222 PolarHBondContact OH-NE1 2.97Å; A218-W222 VanDerWaalsContact C-CE3 3.42Å; A218-W222 HydrophobicContact CB-CE3 3.9Å; A218-W222 HydrophobicContact CB-CH2 4.02Å; A218-W222 HydrophobicContact CB-CZ3 3.53Å; A218-W222 WeakPolarHBondContact O-CB 3.3Å; A218-W222 PolarHBondContact O-N 3.07Å; I219-W222 PolarHBondContact O-N 3.04Å; W222-L224 PolarHBondContact O-N 2.88Å; W222-I225 PolarHBondContact O-N 3.42Å; W222-L226 HydrophobicContact CB-CD1 4.38Å; W222-L226 HydrophobicContact CG-CD1 4.19Å; W222-L226 WeakPolarHBondContact O-CA 3.34Å; W222-L226 VanDerWaalsContact O-CB 3.3Å; W222-L226 WeakPolarHBondContact O-CB 3.32Å; W222-L226 PolarHBondContact O-N 3.32Å; W222-L233 HydrophobicContact CB-CD1 4.16Å; W222-W236 AromaticContact CD2-NE1 3.76Å; W222-W236 AromaticContact CE3-NE1 3.44Å; W222-W236 AromaticContact CH2-CZ2 3.98Å; W222-W236 HydrophobicContact CH2-CZ2 3.98Å; W222-W236 AromaticContact CH2-NE1 3.93Å; W222-W236 HydrophobicContact CZ2-CZ2 4.45Å; W222-W236 HydrophobicContact CZ3-CZ2 4.28Å; W222-W236 AromaticContact CZ3-NE1 3.58Å; W222-L240 HydrophobicContact CE3-CD1 3.83Å; W222-L240 HydrophobicContact CH2-CD1 4.16Å; W222-L240 HydrophobicContact CZ3-CD1 3.28Å; W222-I248 HydrophobicContact CH2-CB 4.47Å; W222-I248 HydrophobicContact CH2-CD1 3.97Å; W222-I248 HydrophobicContact CH2-CG1 3.96Å; W222-I248 HydrophobicContact CH2-CG2 3.68Å; W222-I248 HydrophobicContact CZ2-CG2 4.09Å; W222-I248 HydrophobicContact CZ3-CD1 4.4Å; W222-I248 HydrophobicContact CZ3-CG1 4.32Å; W222-W253 AromaticContact CD1-CH2 3.77Å; W222-W253 AromaticContact CD1-CZ3 3.83Å; W222-W253 HydrophobicContact CD2-CE3 4.25Å; W222-W253 HydrophobicContact CD2-CH2 4.45Å; W222-W253 AromaticContact CD2-CZ3 3.83Å; W222-W253 HydrophobicContact CD2-CZ3 3.83Å; W222-W253 AromaticContact CE2-CE3 3.38Å; W222-W253 AromaticContact CE2-CZ3 3.41Å; W222-W253 VanDerWaalsContact CE2-CZ3 3.41Å; W222-W253 HydrophobicContact CE3-CZ3 4.49Å; W222-W253 HydrophobicContact CG-CH2 4.27Å; W222-W253 HydrophobicContact CG-CZ3 4.12Å; W222-W253 HydrophobicContact CH2-CE3 4.15Å; W222-W253 HydrophobicContact CH2-CZ3 4.48Å; W222-W253 HydrophobicContact CZ2-CD2 4.11Å; W222-W253 AromaticContact CZ2-CE3 3.36Å; W222-W253 HydrophobicContact CZ2-CE3 3.36Å; W222-W253 AromaticContact CZ2-CZ3 3.82Å; W222-W253 HydrophobicContact CZ2-CZ3 3.82Å; W222-W253 AromaticContact NE1-CD2 3.74Å; W222-W253 AromaticContact NE1-CE2 4Å; W222-W253 AromaticContact NE1-CE3 3.41Å; W222-W253 AromaticContact NE1-CH2 3.66Å; W222-W253 AromaticContact NE1-CZ2 3.99Å; W222-W253 AromaticContact NE1-CZ3 3.37Å; W222-V256 HydrophobicContact CZ2-CG2 4.2Å
223R94.9Very high90.8Very high87 Ų8738 Ų3833%0.32822%0.224SC..Hα-helixtrans-57.4-37174-74.8-173.5176.9-72.82.7111.5I219 G220 A227 D234I219-R223 HydrophobicContact CG2-CG 4.31Å; I219-R223 WeakPolarHBondContact O-CB 3.39Å; I219-R223 WeakPolarHBondContact O-CG 3.35Å; I219-R223 PolarHBondContact O-N 2.86Å; G220-R223 PolarHBondContact O-N 3.32Å; R223-A227 WeakPolarHBondContact O-CB 3.15Å; R223-D234 IonicContact CZ-OD1 3.49Å; R223-D234 IonicContact NH1-OD1 2.76Å; R223-D234 PolarHBondContact NH1-OD1 3.42Å; R223-D234 IonicContact NH2-OD1 3.32Å
224L93.6Very high92.3Very high51 Ų5141 Ų4127%0.26724%0.235SC..Hα-helixtrans-72.7-49178.3-171.462.4000113.2D123 L125 L128 G220 Y221 W222D123-L224 WeakPolarHBondContact O-CD1 3.25Å; L125-L224 HydrophobicContact CB-CD1 4.08Å; L125-L224 HydrophobicContact CB-CG 4.33Å; L125-L224 HydrophobicContact CD1-CD2 4.5Å; L125-L224 HydrophobicContact CD1-CG 3.97Å; L128-L224 HydrophobicContact CB-CD2 4.39Å; L128-L224 HydrophobicContact CD2-CD2 4.13Å; G220-L224 PolarHBondContact O-N 3.37Å; G220-L224 VanDerWaalsContact O-N 3.09Å; Y221-L224 WeakPolarHBondContact O-CB 3.38Å; Y221-L224 PolarHBondContact O-N 3.07Å; Y221-L224 VanDerWaalsContact O-N 3.17Å; W222-L224 PolarHBondContact O-N 2.88Å
225I95.4Very high93.2Very high4 Ų440 Ų402%0.02123%0.23CC..Hα-helixtrans-91.8-27.2-168.672.6-163.3000113.8L125 L128 F179 F182 Y183 T186 Y221 W222 W253L125-I225 HydrophobicContact CD1-CG2 4.01Å; L128-I225 HydrophobicContact CD2-CG2 3.55Å; F179-I225 VanDerWaalsContact CZ-O 3.3Å; F179-I225 WeakPolarHBondContact CZ-O 3.45Å; F182-I225 HydrophobicContact CE1-CB 4.13Å; F182-I225 HydrophobicContact CE1-CG2 3.65Å; F182-I225 HydrophobicContact CZ-CG2 4.03Å; Y183-I225 HydrophobicContact CD2-CD1 3.42Å; Y183-I225 VanDerWaalsContact CD2-CD1 3.42Å; Y183-I225 HydrophobicContact CD2-CG1 3.97Å; Y183-I225 HydrophobicContact CE2-CD1 3.61Å; Y183-I225 HydrophobicContact CE2-CG1 4.12Å; Y183-I225 HydrophobicContact CG-CD1 4.42Å; T186-I225 HydrophobicContact CG2-CD1 4.17Å; Y221-I225 VanDerWaalsContact O-CG1 3.27Å; Y221-I225 WeakPolarHBondContact O-CG1 3.44Å; Y221-I225 WeakPolarHBondContact O-CG2 3.49Å; Y221-I225 PolarHBondContact O-N 3.31Å; W222-I225 PolarHBondContact O-N 3.42Å; I225-W253 HydrophobicContact CD1-CH2 4.01Å; I225-W253 HydrophobicContact CD1-CZ2 3.6Å
226L96.6Very high93.8Very high0 Ų039.9 Ų39.90%023%0.229CC..SBendtrans-99.51.2-178.8-62.3-178.4000113.3F179 Y183 W222 G228 R229 F230 L233 V256 L257F179-L226 HydrophobicContact CE1-CD2 4.27Å; F179-L226 HydrophobicContact CZ-CD2 4.17Å; Y183-L226 HydrophobicContact CD2-CD2 4.13Å; Y183-L226 HydrophobicContact CE2-CD1 4.11Å; Y183-L226 HydrophobicContact CE2-CD2 3.77Å; Y183-L226 HydrophobicContact CE2-CG 4.04Å; W222-L226 HydrophobicContact CB-CD1 4.38Å; W222-L226 HydrophobicContact CG-CD1 4.19Å; W222-L226 WeakPolarHBondContact O-CA 3.34Å; W222-L226 VanDerWaalsContact O-CB 3.3Å; W222-L226 WeakPolarHBondContact O-CB 3.32Å; W222-L226 PolarHBondContact O-N 3.32Å; L226-G228 PolarHBondContact O-N 2.82Å; L226-R229 PolarHBondContact O-N 3.47Å; L226-F230 HydrophobicContact CB-CB 4.02Å; L226-F230 HydrophobicContact CD1-CB 4.29Å; L226-F230 HydrophobicContact CD1-CD1 4.16Å; L226-F230 PolarHBondContact O-N 3.41Å; L226-L233 HydrophobicContact CB-CD1 4.03Å; L226-L233 HydrophobicContact CB-CD2 4.16Å; L226-V256 HydrophobicContact CD1-CG1 4.15Å; L226-L257 HydrophobicContact CD2-CD1 4.16Å
227A94.1Very high94.2Very high63 Ų6337.5 Ų37.552%0.52122%0.218SC..THydrogen-bonded Turntrans-54124.4173.600000110.8R223 R229R223-A227 WeakPolarHBondContact O-CB 3.15Å; A227-R229 PolarHBondContact O-N 2.9Å
228G93.2Very high94.6Very high92 Ų9239.9 Ų39.995%0.94823%0.231SC*.THydrogen-bonded Turntrans72.9-0.2-176.800000115.5L226L226-G228 PolarHBondContact O-N 2.82Å
229R94.5Very high94.7Very high79 Ų7940 Ų4030%0.29823%0.23SC..THydrogen-bonded Turntrans-109.9-32.8178.4-65.6-177.8177.4-92.32.9113.4L173 E176 L226 A227L173-R229 PolarHBondContact O-NH2 3.36Å; E176-R229 IonicContact OE1-NH1 3.02Å; L226-R229 PolarHBondContact O-N 3.47Å; A227-R229 PolarHBondContact O-N 2.9Å
230F96.9Very high94.7Very high8 Ų840 Ų404%0.03523%0.23CC..  trans-111.4108.6178-177.3-156.9000110.3L226 H232 L233 W236 F259 I263 F283L226-F230 HydrophobicContact CB-CB 4.02Å; L226-F230 HydrophobicContact CD1-CB 4.29Å; L226-F230 HydrophobicContact CD1-CD1 4.16Å; L226-F230 PolarHBondContact O-N 3.41Å; F230-H232 HydrophobicContact CD2-CB 4.39Å; F230-H232 HydrophobicContact CE2-CB 3.76Å; F230-H232 HydrophobicContact CZ-CB 3.89Å; F230-H232 PolarHBondContact O-N 2.92Å; F230-L233 HydrophobicContact CB-CB 4.18Å; F230-L233 HydrophobicContact CD1-CB 4.11Å; F230-L233 HydrophobicContact CD1-CD1 4.24Å; F230-L233 HydrophobicContact CG-CB 4.37Å; F230-L233 WeakPolarHBondContact O-CB 3.21Å; F230-L233 PolarHBondContact O-N 2.82Å; F230-W236 HydrophobicContact CE1-CB 3.69Å; F230-W236 AromaticContact CE1-CG 3.91Å; F230-W236 HydrophobicContact CE1-CG 3.91Å; F230-W236 HydrophobicContact CZ-CB 4.37Å; F230-F259 HydrophobicContact CE2-CD1 4.06Å; F230-F259 HydrophobicContact CE2-CE1 4.1Å; F230-F259 AromaticContact CZ-CD1 3.92Å; F230-F259 HydrophobicContact CZ-CD1 3.92Å; F230-F259 AromaticContact CZ-CE1 3.94Å; F230-F259 HydrophobicContact CZ-CE1 3.94Å; F230-I263 HydrophobicContact CE2-CG2 4.37Å; F230-F283 HydrophobicContact CZ-CE1 4.34Å
231F96.5Very high94.5Very high135 Ų13542.2 Ų42.259%0.59223%0.232SC*.THydrogen-bonded Turntrans-55.7-38.7-177.6179.7-98.9000112.7L233 N265F231-L233 PolarHBondContact O-N 3.29Å; F231-N265 HydrophobicContact CD1-CB 3.84Å; F231-N265 WeakPolarHBondContact CD1-OD1 3.26Å; F231-N265 HydrophobicContact CE1-CB 3.65Å; F231-N265 HydrophobicContact CG-CB 4.47Å; F231-N265 WeakPolarHBondContact CG-OD1 3.43Å; F231-N265 HydrophobicContact CZ-CB 4.13Å
232H96.7Very high94.1Very high4 Ų444.4 Ų44.42%0.01925%0.252CS..THydrogen-bonded Turntrans-92.918.6-179.5-60.4-64000114.5F230 D234 N235 W236 N265 L267 F283F230-H232 HydrophobicContact CD2-CB 4.39Å; F230-H232 HydrophobicContact CE2-CB 3.76Å; F230-H232 HydrophobicContact CZ-CB 3.89Å; F230-H232 PolarHBondContact O-N 2.92Å; H232-D234 PolarHBondContact O-N 3Å; H232-N235 PolarHBondContact O-N 3.36Å; H232-W236 WeakPolarHBondContact O-CB 3.21Å; H232-W236 PolarHBondContact O-N 3.45Å; H232-N265 PolarHBondContact CE1-O 2.88Å; H232-N265 PolarHBondContact NE2-O 3.35Å; H232-L267 WeakPolarHBondContact NE2-CD2 3.47Å; H232-F283 HydrophobicContact CB-CE1 4.37Å; H232-F283 HydrophobicContact CB-CZ 3.94Å
233L97.2Very high92.8Very high13 Ų1345.4 Ų45.47%0.06826%0.26CS..Hα-helixtrans-54-47.7-175.4179.359.3000113.4W222 L226 F230 F231 N235 W236 C237W222-L233 HydrophobicContact CB-CD1 4.16Å; L226-L233 HydrophobicContact CB-CD1 4.03Å; L226-L233 HydrophobicContact CB-CD2 4.16Å; F230-L233 HydrophobicContact CB-CB 4.18Å; F230-L233 HydrophobicContact CD1-CB 4.11Å; F230-L233 HydrophobicContact CD1-CD1 4.24Å; F230-L233 HydrophobicContact CG-CB 4.37Å; F230-L233 WeakPolarHBondContact O-CB 3.21Å; F230-L233 PolarHBondContact O-N 2.82Å; F231-L233 PolarHBondContact O-N 3.29Å; L233-N235 VanDerWaalsContact C-N 3.35Å; L233-N235 PolarHBondContact O-N 2.83Å; L233-W236 WeakPolarHBondContact O-CB 3.39Å; L233-W236 PolarHBondContact O-N 2.94Å; L233-C237 PolarHBondContact O-N 2.99Å; L233-C237 PolarHBondContact O-SG 3.48Å
234D95.8Very high91.3Very high98 Ų9852.6 Ų52.652%0.52429%0.287SS..Hα-helixtrans-64-42.6-179.4-75.7-37.7000111.9R223 H232 W236 C237 N238R223-D234 IonicContact CZ-OD1 3.49Å; R223-D234 IonicContact NH1-OD1 2.76Å; R223-D234 PolarHBondContact NH1-OD1 3.42Å; R223-D234 IonicContact NH2-OD1 3.32Å; H232-D234 PolarHBondContact O-N 3Å; D234-W236 VanDerWaalsContact C-N 3.33Å; D234-W236 PolarHBondContact O-N 3.41Å; D234-C237 PolarHBondContact O-N 3.29Å; D234-N238 WeakPolarHBondContact O-CB 3.46Å; D234-N238 PolarHBondContact O-N 3.26Å; D234-N238 PolarHBondContact O-ND2 3.18Å; D234-N238 PolarHBondContact O-OD1 3.32Å
235N95.5Very high89.8Confident59 Ų5954.7 Ų54.732%0.31629%0.291SS..Hα-helixtrans-64.5-39.9176.4-69.1-50.9000112H232 L233 N238 F239 F283 M287H232-N235 PolarHBondContact O-N 3.36Å; L233-N235 VanDerWaalsContact C-N 3.35Å; L233-N235 PolarHBondContact O-N 2.83Å; N235-N238 PolarHBondContact O-N 2.84Å; N235-F239 VanDerWaalsContact O-CB 3.26Å; N235-F239 WeakPolarHBondContact O-CB 3.22Å; N235-F239 PolarHBondContact O-N 3.07Å; N235-F283 HydrophobicContact CB-CE2 4.09Å; N235-F283 HydrophobicContact CB-CZ 4.25Å; N235-M287 HydrophobicContact CB-CE 3.92Å; N235-M287 HydrophobicContact CB-SD 3.36Å; N235-M287 WeakPolarHBondContact CB-SD 3.31Å; N235-M287 VanDerWaalsContact CG-SD 3.55Å; N235-M287 WeakPolarHBondContact ND2-CE 3.37Å
236W95.9Very high88.7Confident0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-60.6-48.5175.2172.4-109.9000111.1W222 F230 H232 L233 D234 N238 F239 L240 V256 L279 L280 F283W222-W236 AromaticContact CD2-NE1 3.76Å; W222-W236 AromaticContact CE3-NE1 3.44Å; W222-W236 AromaticContact CH2-CZ2 3.98Å; W222-W236 HydrophobicContact CH2-CZ2 3.98Å; W222-W236 AromaticContact CH2-NE1 3.93Å; W222-W236 HydrophobicContact CZ2-CZ2 4.45Å; W222-W236 HydrophobicContact CZ3-CZ2 4.28Å; W222-W236 AromaticContact CZ3-NE1 3.58Å; F230-W236 HydrophobicContact CE1-CB 3.69Å; F230-W236 AromaticContact CE1-CG 3.91Å; F230-W236 HydrophobicContact CE1-CG 3.91Å; F230-W236 HydrophobicContact CZ-CB 4.37Å; H232-W236 WeakPolarHBondContact O-CB 3.21Å; H232-W236 PolarHBondContact O-N 3.45Å; L233-W236 WeakPolarHBondContact O-CB 3.39Å; L233-W236 PolarHBondContact O-N 2.94Å; D234-W236 VanDerWaalsContact C-N 3.33Å; D234-W236 PolarHBondContact O-N 3.41Å; W236-N238 PolarHBondContact O-N 3.46Å; W236-F239 AromaticContact CE3-CD1 4Å; W236-F239 HydrophobicContact CE3-CD1 4Å; W236-F239 AromaticContact CZ3-CD1 3.95Å; W236-F239 HydrophobicContact CZ3-CD1 3.95Å; W236-F239 AromaticContact CZ3-CE1 4Å; W236-F239 HydrophobicContact CZ3-CE1 4Å; W236-F239 WeakPolarHBondContact O-CB 3.42Å; W236-F239 PolarHBondContact O-N 3.48Å; W236-L240 HydrophobicContact CD2-CD1 4.25Å; W236-L240 HydrophobicContact CD2-CG 4.36Å; W236-L240 HydrophobicContact CH2-CD2 4.16Å; W236-L240 HydrophobicContact CZ2-CD1 3.84Å; W236-L240 HydrophobicContact CZ2-CD2 4Å; W236-L240 HydrophobicContact CZ2-CG 4.17Å; W236-L240 WeakPolarHBondContact O-CG 3.46Å; W236-L240 PolarHBondContact O-N 3.06Å; W236-V256 HydrophobicContact CH2-CG2 3.96Å; W236-V256 HydrophobicContact CZ2-CG2 3.53Å; W236-L279 HydrophobicContact CH2-CD2 3.83Å; W236-L279 HydrophobicContact CH2-CG 3.85Å; W236-L279 HydrophobicContact CZ2-CD2 4.31Å; W236-L279 HydrophobicContact CZ3-CG 4.45Å; W236-L280 HydrophobicContact CE3-CD2 4.33Å; W236-L280 HydrophobicContact CH2-CD2 3.99Å; W236-L280 HydrophobicContact CH2-CG 4.42Å; W236-L280 HydrophobicContact CZ3-CD2 3.69Å; W236-L280 HydrophobicContact CZ3-CG 4.44Å; W236-F283 VanDerWaalsContact CA-CE2 3.49Å; W236-F283 HydrophobicContact CB-CE2 4.13Å; W236-F283 HydrophobicContact CB-CZ 4.11Å; W236-F283 HydrophobicContact CE3-CB 3.88Å; W236-F283 AromaticContact CE3-CD1 3.8Å; W236-F283 HydrophobicContact CE3-CD1 3.8Å; W236-F283 AromaticContact CE3-CD2 3.74Å; W236-F283 HydrophobicContact CE3-CD2 3.74Å; W236-F283 HydrophobicContact CE3-CE1 4.26Å; W236-F283 HydrophobicContact CE3-CE2 4.22Å; W236-F283 AromaticContact CE3-CG 3.5Å; W236-F283 HydrophobicContact CE3-CG 3.5Å; W236-F283 HydrophobicContact CE3-CZ 4.45Å; W236-F283 HydrophobicContact CZ3-CB 3.64Å; W236-F283 HydrophobicContact CZ3-CD1 4.19Å; W236-F283 HydrophobicContact CZ3-CD2 4.37Å; W236-F283 AromaticContact CZ3-CG 3.81Å; W236-F283 HydrophobicContact CZ3-CG 3.81Å
237C93.6Very high87.9Confident0 Ų062.3 Ų62.30%033%0.332CS..Hα-helixtrans-63.4-41.9177.5-66.50000112.1I219 L233 D234 L240 Q241I219-C237 HydrophobicContact CG2-CB 4.01Å; L233-C237 PolarHBondContact O-N 2.99Å; L233-C237 PolarHBondContact O-SG 3.48Å; D234-C237 PolarHBondContact O-N 3.29Å; C237-L240 PolarHBondContact O-N 2.9Å; C237-Q241 WeakPolarHBondContact O-CG 3.23Å; C237-Q241 PolarHBondContact O-N 3.22Å; C237-Q241 VanDerWaalsContact O-N 3.07Å
238N92.6Very high87.6Confident66 Ų6660 Ų6035%0.35331%0.311SS..Hα-helixtrans-65.7-39.4177-66.4-14.1000111.8D234 N235 W236 Q241 S242D234-N238 WeakPolarHBondContact O-CB 3.46Å; D234-N238 PolarHBondContact O-N 3.26Å; D234-N238 PolarHBondContact O-ND2 3.18Å; D234-N238 PolarHBondContact O-OD1 3.32Å; N235-N238 PolarHBondContact O-N 2.84Å; W236-N238 PolarHBondContact O-N 3.46Å; N238-Q241 PolarHBondContact O-N 2.98Å; N238-S242 PolarHBondContact O-N 2.91Å; N238-S242 VanDerWaalsContact O-N 3.1Å; N238-S242 PolarHBondContact O-OG 2.92Å; N238-S242 VanDerWaalsContact O-OG 3.04Å
239F93.9Very high87.4Confident10 Ų1058.9 Ų58.94%0.04429%0.286CS..Hα-helixtrans-58.4-49.2172.4164.5-108.5000110.7N235 W236 Q241 S242 A243 L279 E282 F283 Y286N235-F239 VanDerWaalsContact O-CB 3.26Å; N235-F239 WeakPolarHBondContact O-CB 3.22Å; N235-F239 PolarHBondContact O-N 3.07Å; W236-F239 AromaticContact CE3-CD1 4Å; W236-F239 HydrophobicContact CE3-CD1 4Å; W236-F239 AromaticContact CZ3-CD1 3.95Å; W236-F239 HydrophobicContact CZ3-CD1 3.95Å; W236-F239 AromaticContact CZ3-CE1 4Å; W236-F239 HydrophobicContact CZ3-CE1 4Å; W236-F239 WeakPolarHBondContact O-CB 3.42Å; W236-F239 PolarHBondContact O-N 3.48Å; F239-Q241 VanDerWaalsContact C-N 3.29Å; F239-Q241 PolarHBondContact O-N 3.33Å; F239-S242 PolarHBondContact O-N 3.48Å; F239-S242 PolarHBondContact O-OG 3.48Å; F239-A243 HydrophobicContact CD2-CB 4.18Å; F239-A243 HydrophobicContact CE1-CB 4.49Å; F239-A243 HydrophobicContact CE2-CB 3.83Å; F239-A243 HydrophobicContact CZ-CB 4Å; F239-A243 WeakPolarHBondContact O-CB 3.26Å; F239-A243 PolarHBondContact O-N 3.23Å; F239-L279 HydrophobicContact CE1-CD1 3.69Å; F239-L279 HydrophobicContact CE1-CG 4.06Å; F239-L279 WeakPolarHBondContact CE1-O 3.31Å; F239-L279 HydrophobicContact CZ-CD1 3.94Å; F239-E282 HydrophobicContact CE2-CB 4.16Å; F239-E282 HydrophobicContact CZ-CB 3.72Å; F239-F283 HydrophobicContact CB-CD2 3.69Å; F239-F283 HydrophobicContact CB-CE2 4.18Å; F239-F283 HydrophobicContact CD1-CB 3.78Å; F239-F283 AromaticContact CD1-CD2 3.79Å; F239-F283 HydrophobicContact CD1-CD2 3.79Å; F239-F283 HydrophobicContact CD1-CG 4.19Å; F239-F283 HydrophobicContact CD2-CD2 4.48Å; F239-F283 HydrophobicContact CE1-CB 3.72Å; F239-F283 HydrophobicContact CG-CB 4.25Å; F239-F283 AromaticContact CG-CD2 3.73Å; F239-F283 HydrophobicContact CG-CD2 3.73Å; F239-F283 HydrophobicContact CG-CG 4.48Å; F239-F283 HydrophobicContact CZ-CB 4.14Å; F239-Y286 HydrophobicContact CB-CD1 3.75Å; F239-Y286 HydrophobicContact CB-CE1 3.81Å; F239-Y286 HydrophobicContact CB-CG 4.31Å; F239-Y286 AromaticContact CD2-CD1 3.94Å; F239-Y286 HydrophobicContact CD2-CD1 3.94Å; F239-Y286 HydrophobicContact CD2-CD2 4.08Å; F239-Y286 AromaticContact CD2-CG 3.64Å; F239-Y286 HydrophobicContact CD2-CG 3.64Å; F239-Y286 HydrophobicContact CE2-CG 4.46Å; F239-Y286 HydrophobicContact CG-CD1 4.22Å; F239-Y286 HydrophobicContact CG-CG 4.37Å
240L91.5Very high87.3Confident7 Ų761 Ų614%0.03729%0.294CS..Hα-helixtrans-64.5-32.1-179.9-68.9177.5000113.8V215 I219 W222 W236 C237 I248 L279V215-L240 HydrophobicContact CG1-CB 4.09Å; I219-L240 HydrophobicContact CD1-CB 3.89Å; I219-L240 HydrophobicContact CG1-CB 4.18Å; I219-L240 HydrophobicContact CG1-CD1 3.98Å; W222-L240 HydrophobicContact CE3-CD1 3.83Å; W222-L240 HydrophobicContact CH2-CD1 4.16Å; W222-L240 HydrophobicContact CZ3-CD1 3.28Å; W236-L240 HydrophobicContact CD2-CD1 4.25Å; W236-L240 HydrophobicContact CD2-CG 4.36Å; W236-L240 HydrophobicContact CH2-CD2 4.16Å; W236-L240 HydrophobicContact CZ2-CD1 3.84Å; W236-L240 HydrophobicContact CZ2-CD2 4Å; W236-L240 HydrophobicContact CZ2-CG 4.17Å; W236-L240 WeakPolarHBondContact O-CG 3.46Å; W236-L240 PolarHBondContact O-N 3.06Å; C237-L240 PolarHBondContact O-N 2.9Å; L240-I248 HydrophobicContact CD2-CD1 4.33Å; L240-L279 HydrophobicContact CD2-CD1 4.21Å; L240-L279 HydrophobicContact CD2-CD2 3.84Å; L240-L279 HydrophobicContact CD2-CG 4.28Å
241Q87.3Confident87.1Confident79 Ų7965.1 Ų65.137%0.36932%0.316SS..Hα-helixtrans-70.5-35.2175.7-72.5178.2-28.300112.6I219 C237 N238 F239I219-Q241 HydrophobicContact CD1-CG 3.64Å; C237-Q241 WeakPolarHBondContact O-CG 3.23Å; C237-Q241 PolarHBondContact O-N 3.22Å; C237-Q241 VanDerWaalsContact O-N 3.07Å; N238-Q241 PolarHBondContact O-N 2.98Å; F239-Q241 VanDerWaalsContact C-N 3.29Å; F239-Q241 PolarHBondContact O-N 3.33Å
242S84.4Confident87Confident78 Ų7859.3 Ų59.355%0.54529%0.292SS..Hα-helixtrans-87.3-31.8-179.162.60000113.8N238 F239N238-S242 PolarHBondContact O-N 2.91Å; N238-S242 VanDerWaalsContact O-N 3.1Å; N238-S242 PolarHBondContact O-OG 2.92Å; N238-S242 VanDerWaalsContact O-OG 3.04Å; F239-S242 PolarHBondContact O-N 3.48Å; F239-S242 PolarHBondContact O-OG 3.48Å
243A70Confident86.9Confident20 Ų2059.3 Ų59.317%0.16529%0.291CS..SBendtrans-68.9142.8-179.700000110.9F239 R245F239-A243 HydrophobicContact CD2-CB 4.18Å; F239-A243 HydrophobicContact CE1-CB 4.49Å; F239-A243 HydrophobicContact CE2-CB 3.83Å; F239-A243 HydrophobicContact CZ-CB 4Å; F239-A243 WeakPolarHBondContact O-CB 3.26Å; F239-A243 PolarHBondContact O-N 3.23Å; A243-R245 PolarHBondContact O-N 3.35Å; A243-R245 VanDerWaalsContact O-N 3.16Å
244R61.8Low86.8Confident239 Ų23960.3 Ų60.390%0.90230%0.297SS*.  trans-54.6124.1170.4-70.1-179.8179-179.90.1108.3K246R244-K246 PolarHBondContact O-N 2.89Å
245R63.3Low86.9Confident95 Ų9557.3 Ų57.336%0.35828%0.281SS..  trans-71.787.2-157.1-65.3168.4178.9-175.9-14.9111.9Q211 F212 V215 A243Q211-R245 PolarHBondContact NE2-O 2.85Å; F212-R245 HydrophobicContact CD1-CG 4.42Å; F212-R245 VanDerWaalsContact CD1-NE 3.29Å; F212-R245 HydrophobicContact CE1-CG 4.43Å; V215-R245 HydrophobicContact CG2-CB 4.46Å; A243-R245 PolarHBondContact O-N 3.35Å; A243-R245 VanDerWaalsContact O-N 3.16Å
246K72.4Confident86.9Confident86 Ų8654.5 Ų54.537%0.37427%0.266SS..  trans-75.1140.6171.4-66.8-178-175.1166.80109.6R244 I248 E282R244-K246 PolarHBondContact O-N 2.89Å; K246-I248 PolarHBondContact O-N 3.09Å; K246-E282 IonicContact NZ-OE1 3.94Å; K246-E282 PolarHBondContact NZ-OE1 3.36Å; K246-E282 IonicContact NZ-OE2 2.6Å; K246-E282 PolarHBondContact NZ-OE2 3.18Å
247P78.6Confident87Confident78 Ų7854.8 Ų54.851%0.50627%0.267SS..  trans-63136.717427.1-33.2000110.4T249P247-T249 PolarHBondContact O-N 2.93Å
248I87.5Confident87.2Confident15 Ų1557.4 Ų57.48%0.07728%0.281CS..  trans-78.7113.3175.3-55.1-54.1000108.9F187 A218 W222 L240 K246 W253 L279F187-I248 HydrophobicContact CE2-CG2 4.41Å; A218-I248 HydrophobicContact CB-CG1 4.09Å; W222-I248 HydrophobicContact CH2-CB 4.47Å; W222-I248 HydrophobicContact CH2-CD1 3.97Å; W222-I248 HydrophobicContact CH2-CG1 3.96Å; W222-I248 HydrophobicContact CH2-CG2 3.68Å; W222-I248 HydrophobicContact CZ2-CG2 4.09Å; W222-I248 HydrophobicContact CZ3-CD1 4.4Å; W222-I248 HydrophobicContact CZ3-CG1 4.32Å; L240-I248 HydrophobicContact CD2-CD1 4.33Å; K246-I248 PolarHBondContact O-N 3.09Å; I248-W253 HydrophobicContact CG2-CB 4.29Å; I248-W253 HydrophobicContact CG2-CE3 4.44Å; I248-L279 HydrophobicContact CD1-CD2 3.61Å
249T90.1Very high87.4Confident68 Ų6854.3 Ų54.342%0.41727%0.265SS..  trans-80.5161.6174.776.10000110.8P247 D251 T252 W253P247-T249 PolarHBondContact O-N 2.93Å; T249-D251 PolarHBondContact O-N 3.37Å; T249-T252 PolarHBondContact O-N 3.39Å; T249-T252 PolarHBondContact OG1-N 2.93Å; T249-T252 VanDerWaalsContact OG1-N 3.09Å; T249-T252 PolarHBondContact OG1-OG1 3.36Å; T249-W253 PolarHBondContact O-N 3.44Å
250R91.1Very high87.5Confident124 Ų12454.6 Ų54.647%0.46827%0.268SS..Hα-helixtrans-60.3-38.7175.1-174.4177.6-179.6-174.5-1.5111.7F187 W253 N254F187-R250 HydrophobicContact CD1-CB 4.01Å; F187-R250 HydrophobicContact CD1-CG 3.91Å; F187-R250 HydrophobicContact CE1-CB 3.51Å; F187-R250 HydrophobicContact CE1-CG 3.93Å; F187-R250 HydrophobicContact CZ-CB 3.9Å; R250-W253 PolarHBondContact O-N 3.43Å; R250-N254 PolarHBondContact O-N 3.5Å; R250-N254 PolarHBondContact O-ND2 3.18Å; R250-N254 PolarHBondContact O-OD1 3.29Å
251D93.2Very high87.7Confident94 Ų9458.2 Ų58.250%0.50328%0.283SS..Hα-helixtrans-63.8-50.3178.7-177.172000110.9T249 W253 N254 L255T249-D251 PolarHBondContact O-N 3.37Å; D251-W253 VanDerWaalsContact C-N 3.32Å; D251-W253 PolarHBondContact O-N 3.1Å; D251-N254 PolarHBondContact O-N 2.98Å; D251-L255 WeakPolarHBondContact O-CG 3.45Å; D251-L255 PolarHBondContact O-N 3.44Å; D251-L255 WeakPolarHBondContact OD2-CD1 3.36Å
252T93.8Very high88.1Confident13 Ų1358.3 Ų58.38%0.0829%0.289CS..Hα-helixtrans-57.5-44.3174.5-500000112.1T249 L255 V256 P277 L279T249-T252 PolarHBondContact O-N 3.39Å; T249-T252 PolarHBondContact OG1-N 2.93Å; T249-T252 VanDerWaalsContact OG1-N 3.09Å; T249-T252 PolarHBondContact OG1-OG1 3.36Å; T252-L255 PolarHBondContact O-N 3.16Å; T252-V256 VanDerWaalsContact O-CG2 3.26Å; T252-V256 WeakPolarHBondContact O-CG2 3.41Å; T252-V256 PolarHBondContact O-N 3.36Å; T252-V256 VanDerWaalsContact O-N 3.1Å; T252-P277 HydrophobicContact CG2-CB 4.17Å; T252-P277 HydrophobicContact CG2-CG 4.37Å; T252-L279 HydrophobicContact CG2-CB 4.26Å; T252-L279 HydrophobicContact CG2-CD2 3.83Å
253W95.2Very high88.7Confident3 Ų355.5 Ų55.51%0.01127%0.267CS..Hα-helixtrans-55.6-54.9174.8178.1-84.4000111Y183 T186 F187 A218 W222 I225 I248 T249 R250 D251 L255 V256Y183-W253 AromaticContact CD1-CD1 3.79Å; Y183-W253 AromaticContact CD1-NE1 3.37Å; Y183-W253 AromaticContact CE1-CD1 3.27Å; Y183-W253 HydrophobicContact CE1-CD2 4.41Å; Y183-W253 AromaticContact CE1-CE2 3.88Å; Y183-W253 HydrophobicContact CE1-CG 4.07Å; Y183-W253 AromaticContact CE1-NE1 3.12Å; Y183-W253 WeakPolarHBondContact CE1-O 3.32Å; Y183-W253 HydrophobicContact CE2-CZ2 4.27Å; Y183-W253 AromaticContact CG-NE1 3.98Å; Y183-W253 AromaticContact CZ-CD1 3.91Å; Y183-W253 AromaticContact CZ-CE2 3.82Å; Y183-W253 AromaticContact CZ-NE1 3.55Å; Y183-W253 PolarHBondContact O-NE1 3.47Å; Y183-W253 PolarHBondContact OH-O 3.4Å; T186-W253 HydrophobicContact CG2-CH2 4.12Å; T186-W253 HydrophobicContact CG2-CZ2 3.85Å; F187-W253 HydrophobicContact CB-CD2 3.89Å; F187-W253 HydrophobicContact CB-CG 3.81Å; F187-W253 HydrophobicContact CD2-CB 3.63Å; F187-W253 AromaticContact CD2-CD2 3.75Å; F187-W253 HydrophobicContact CD2-CD2 3.75Å; F187-W253 AromaticContact CD2-CE3 3.94Å; F187-W253 HydrophobicContact CD2-CE3 3.94Å; F187-W253 AromaticContact CD2-CG 3.62Å; F187-W253 HydrophobicContact CD2-CG 3.62Å; F187-W253 HydrophobicContact CE2-CB 4.12Å; F187-W253 HydrophobicContact CG-CB 4.25Å; F187-W253 HydrophobicContact CG-CD2 4.27Å; F187-W253 AromaticContact CG-CG 4Å; F187-W253 HydrophobicContact CG-CG 4Å; A218-W253 HydrophobicContact CB-CZ3 4.06Å; W222-W253 AromaticContact CD1-CH2 3.77Å; W222-W253 AromaticContact CD1-CZ3 3.83Å; W222-W253 HydrophobicContact CD2-CE3 4.25Å; W222-W253 HydrophobicContact CD2-CH2 4.45Å; W222-W253 AromaticContact CD2-CZ3 3.83Å; W222-W253 HydrophobicContact CD2-CZ3 3.83Å; W222-W253 AromaticContact CE2-CE3 3.38Å; W222-W253 AromaticContact CE2-CZ3 3.41Å; W222-W253 VanDerWaalsContact CE2-CZ3 3.41Å; W222-W253 HydrophobicContact CE3-CZ3 4.49Å; W222-W253 HydrophobicContact CG-CH2 4.27Å; W222-W253 HydrophobicContact CG-CZ3 4.12Å; W222-W253 HydrophobicContact CH2-CE3 4.15Å; W222-W253 HydrophobicContact CH2-CZ3 4.48Å; W222-W253 HydrophobicContact CZ2-CD2 4.11Å; W222-W253 AromaticContact CZ2-CE3 3.36Å; W222-W253 HydrophobicContact CZ2-CE3 3.36Å; W222-W253 AromaticContact CZ2-CZ3 3.82Å; W222-W253 HydrophobicContact CZ2-CZ3 3.82Å; W222-W253 AromaticContact NE1-CD2 3.74Å; W222-W253 AromaticContact NE1-CE2 4Å; W222-W253 AromaticContact NE1-CE3 3.41Å; W222-W253 AromaticContact NE1-CH2 3.66Å; W222-W253 AromaticContact NE1-CZ2 3.99Å; W222-W253 AromaticContact NE1-CZ3 3.37Å; I225-W253 HydrophobicContact CD1-CH2 4.01Å; I225-W253 HydrophobicContact CD1-CZ2 3.6Å; I248-W253 HydrophobicContact CG2-CB 4.29Å; I248-W253 HydrophobicContact CG2-CE3 4.44Å; T249-W253 PolarHBondContact O-N 3.44Å; R250-W253 PolarHBondContact O-N 3.43Å; D251-W253 VanDerWaalsContact C-N 3.32Å; D251-W253 PolarHBondContact O-N 3.1Å; W253-L255 VanDerWaalsContact C-N 3.35Å; W253-L255 PolarHBondContact O-N 2.91Å; W253-V256 PolarHBondContact O-N 3.39Å
254N96.2Very high89.9Confident35 Ų3557 Ų5719%0.18728%0.276CS..Hα-helixtrans-58.7-44.6-178.6-68.7-11.9000112.7R250 D251 V256 L257R250-N254 PolarHBondContact O-N 3.5Å; R250-N254 PolarHBondContact O-ND2 3.18Å; R250-N254 PolarHBondContact O-OD1 3.29Å; D251-N254 PolarHBondContact O-N 2.98Å; N254-V256 VanDerWaalsContact C-N 3.3Å; N254-V256 PolarHBondContact O-N 3.31Å; N254-L257 WeakPolarHBondContact O-CB 3.47Å; N254-L257 PolarHBondContact O-N 3.09Å; N254-L257 VanDerWaalsContact O-N 3.16Å
255L96.5Very high91.4Very high35 Ų3550.3 Ų50.318%0.18326%0.258CS..Hα-helixtrans-72-21.3-176.7-70.7172.5000113.3D251 T252 W253 L257 D258 F259 W276 P277 L280D251-L255 WeakPolarHBondContact O-CG 3.45Å; D251-L255 PolarHBondContact O-N 3.44Å; D251-L255 WeakPolarHBondContact OD2-CD1 3.36Å; T252-L255 PolarHBondContact O-N 3.16Å; W253-L255 VanDerWaalsContact C-N 3.35Å; W253-L255 PolarHBondContact O-N 2.91Å; L255-L257 VanDerWaalsContact C-N 3.27Å; L255-L257 PolarHBondContact O-N 3.11Å; L255-D258 PolarHBondContact O-N 2.66Å; L255-F259 WeakPolarHBondContact O-CB 3.33Å; L255-F259 PolarHBondContact O-N 3.26Å; L255-W276 HydrophobicContact CB-CE3 4.31Å; L255-W276 HydrophobicContact CB-CZ3 4.27Å; L255-W276 HydrophobicContact CD2-CE3 4.49Å; L255-W276 HydrophobicContact CD2-CZ3 4.12Å; L255-P277 HydrophobicContact CB-CG 4.04Å; L255-P277 HydrophobicContact CD1-CG 3.67Å; L255-P277 HydrophobicContact CG-CG 4.48Å; L255-L280 HydrophobicContact CB-CD1 4.46Å
256V96.9Very high92.9Very high0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-61.8-37169.8167.70000111.1W222 L226 W236 T252 W253 N254 S260 L280W222-V256 HydrophobicContact CZ2-CG2 4.2Å; L226-V256 HydrophobicContact CD1-CG1 4.15Å; W236-V256 HydrophobicContact CH2-CG2 3.96Å; W236-V256 HydrophobicContact CZ2-CG2 3.53Å; T252-V256 VanDerWaalsContact O-CG2 3.26Å; T252-V256 WeakPolarHBondContact O-CG2 3.41Å; T252-V256 PolarHBondContact O-N 3.36Å; T252-V256 VanDerWaalsContact O-N 3.1Å; W253-V256 PolarHBondContact O-N 3.39Å; N254-V256 VanDerWaalsContact C-N 3.3Å; N254-V256 PolarHBondContact O-N 3.31Å; V256-S260 WeakPolarHBondContact O-CB 3.36Å; V256-S260 PolarHBondContact O-N 3.38Å; V256-L280 HydrophobicContact CG2-CD1 4.41Å; V256-L280 HydrophobicContact CG2-CD2 4.24Å
257L97.6Very high93.9Very high5 Ų546.3 Ų46.33%0.02625%0.248CC..Hα-helixtrans-64.7-46.6174.9177.460.5000111.4F179 R180 Y183 L226 N254 L255 S260 K261F179-L257 HydrophobicContact CD1-CD1 4.19Å; F179-L257 HydrophobicContact CE1-CD1 3.69Å; R180-L257 HydrophobicContact CB-CD2 4.42Å; R180-L257 HydrophobicContact CG-CD2 4.39Å; Y183-L257 HydrophobicContact CD1-CB 3.9Å; Y183-L257 HydrophobicContact CD1-CD2 3.8Å; Y183-L257 HydrophobicContact CD1-CG 4.42Å; Y183-L257 HydrophobicContact CD2-CD2 4.45Å; Y183-L257 HydrophobicContact CE1-CB 3.58Å; Y183-L257 HydrophobicContact CE1-CD2 4.37Å; Y183-L257 HydrophobicContact CE2-CB 4.25Å; Y183-L257 HydrophobicContact CG-CB 4.36Å; Y183-L257 HydrophobicContact CG-CD2 3.85Å; L226-L257 HydrophobicContact CD2-CD1 4.16Å; N254-L257 WeakPolarHBondContact O-CB 3.47Å; N254-L257 PolarHBondContact O-N 3.09Å; N254-L257 VanDerWaalsContact O-N 3.16Å; L255-L257 VanDerWaalsContact C-N 3.27Å; L255-L257 PolarHBondContact O-N 3.11Å; L257-S260 PolarHBondContact O-N 3.49Å; L257-S260 PolarHBondContact O-OG 3.44Å; L257-K261 WeakPolarHBondContact O-CG 3.15Å; L257-K261 PolarHBondContact O-N 3.04Å
258D96.6Very high94.7Very high56 Ų5646.3 Ų46.330%0.29925%0.25SS..Hα-helixtrans-65.4-43.9179.5-65.4-31.3000111L255 S260 K261 V262 W276L255-D258 PolarHBondContact O-N 2.66Å; D258-S260 VanDerWaalsContact C-N 3.31Å; D258-S260 PolarHBondContact O-N 3.21Å; D258-K261 PolarHBondContact O-N 2.76Å; D258-K261 VanDerWaalsContact O-N 3.11Å; D258-V262 WeakPolarHBondContact O-CG2 3.49Å; D258-V262 PolarHBondContact O-N 3.29Å; D258-W276 HydrophobicContact CB-CH2 4.34Å; D258-W276 HydrophobicContact CB-CZ3 4.34Å
259F97.3Very high95.1Very high1 Ų149.2 Ų49.20%0.00427%0.266CS..Hα-helixtrans-54.2-47.5172.8-179.3-92.8000111.4F230 L255 K261 V262 I263 Y270 W276 L280 F283 V284F230-F259 HydrophobicContact CE2-CD1 4.06Å; F230-F259 HydrophobicContact CE2-CE1 4.1Å; F230-F259 AromaticContact CZ-CD1 3.92Å; F230-F259 HydrophobicContact CZ-CD1 3.92Å; F230-F259 AromaticContact CZ-CE1 3.94Å; F230-F259 HydrophobicContact CZ-CE1 3.94Å; L255-F259 WeakPolarHBondContact O-CB 3.33Å; L255-F259 PolarHBondContact O-N 3.26Å; F259-K261 PolarHBondContact O-N 2.6Å; F259-K261 VanDerWaalsContact O-N 3.09Å; F259-V262 PolarHBondContact O-N 3.37Å; F259-I263 HydrophobicContact CD1-CB 4.36Å; F259-I263 HydrophobicContact CD1-CG2 4.04Å; F259-I263 HydrophobicContact CD2-CB 4.45Å; F259-I263 HydrophobicContact CE1-CB 4.04Å; F259-I263 HydrophobicContact CE1-CG1 4.08Å; F259-I263 HydrophobicContact CE1-CG2 3.76Å; F259-I263 HydrophobicContact CE2-CB 4.15Å; F259-I263 HydrophobicContact CE2-CD1 3.79Å; F259-I263 HydrophobicContact CE2-CG1 3.97Å; F259-I263 HydrophobicContact CZ-CB 3.94Å; F259-I263 HydrophobicContact CZ-CD1 3.85Å; F259-I263 HydrophobicContact CZ-CG1 3.59Å; F259-I263 HydrophobicContact CZ-CG2 4.15Å; F259-I263 WeakPolarHBondContact O-CB 3.41Å; F259-I263 WeakPolarHBondContact O-CG2 3.44Å; F259-I263 PolarHBondContact O-N 2.58Å; F259-Y270 HydrophobicContact CD2-CE2 4.29Å; F259-Y270 AromaticContact CE2-CD2 3.74Å; F259-Y270 HydrophobicContact CE2-CD2 3.74Å; F259-Y270 AromaticContact CE2-CE2 3.64Å; F259-Y270 HydrophobicContact CE2-CE2 3.64Å; F259-W276 HydrophobicContact CB-CE3 4.48Å; F259-W276 HydrophobicContact CB-CH2 4.3Å; F259-W276 HydrophobicContact CB-CZ3 4.03Å; F259-L280 HydrophobicContact CB-CD1 3.9Å; F259-L280 HydrophobicContact CB-CD2 4.27Å; F259-L280 HydrophobicContact CD1-CD2 3.82Å; F259-L280 HydrophobicContact CD2-CD1 4.23Å; F259-L280 HydrophobicContact CD2-CD2 4.1Å; F259-L280 HydrophobicContact CE1-CD2 4.15Å; F259-L280 HydrophobicContact CE2-CD2 4.39Å; F259-L280 HydrophobicContact CG-CD1 4.12Å; F259-L280 HydrophobicContact CG-CD2 3.8Å; F259-L280 HydrophobicContact CZ-CD2 4.41Å; F259-F283 HydrophobicContact CE1-CD1 4.12Å; F259-F283 AromaticContact CE1-CE1 3.91Å; F259-F283 HydrophobicContact CE1-CE1 3.91Å; F259-F283 HydrophobicContact CZ-CD1 4.2Å; F259-F283 HydrophobicContact CZ-CE1 4.26Å; F259-V284 HydrophobicContact CE2-CG2 4.07Å; F259-V284 HydrophobicContact CZ-CG2 3.85Å
260S96.6Very high95.4Very high15 Ų1546.8 Ų46.811%0.10525%0.249CC..Hα-helixtrans-60.5-22.8-179740000114.4V256 L257 D258V256-S260 WeakPolarHBondContact O-CB 3.36Å; V256-S260 PolarHBondContact O-N 3.38Å; L257-S260 PolarHBondContact O-N 3.49Å; L257-S260 PolarHBondContact O-OG 3.44Å; D258-S260 VanDerWaalsContact C-N 3.31Å; D258-S260 PolarHBondContact O-N 3.21Å
261K95.2Very high95.5Very high84 Ų8445 Ų4537%0.36525%0.249SC..Hα-helixtrans-90.6-32.3-179.8-69.3173.3173.4-175.70113.4E176 L257 D258 F259E176-K261 WeakPolarHBondContact OE2-CE 3.42Å; E176-K261 IonicContact OE2-NZ 2.81Å; E176-K261 PolarHBondContact OE2-NZ 2.96Å; L257-K261 WeakPolarHBondContact O-CG 3.15Å; L257-K261 PolarHBondContact O-N 3.04Å; D258-K261 PolarHBondContact O-N 2.76Å; D258-K261 VanDerWaalsContact O-N 3.11Å; F259-K261 PolarHBondContact O-N 2.6Å; F259-K261 VanDerWaalsContact O-N 3.09Å
262V95.6Very high95.4Very high81 Ų8144.6 Ų44.649%0.49125%0.25SC..Hα-helixtrans-98.6-28.5-172.5-57.20000113D258 F259 N269 W276D258-V262 WeakPolarHBondContact O-CG2 3.49Å; D258-V262 PolarHBondContact O-N 3.29Å; F259-V262 PolarHBondContact O-N 3.37Å; V262-N269 PolarHBondContact O-ND2 3.43Å; V262-W276 HydrophobicContact CG2-CH2 4Å; V262-W276 HydrophobicContact CG2-CZ2 3.89Å
263I96.5Very high95.2Very high18 Ų1851.8 Ų51.89%0.09228%0.283CS..  trans-70.3134.8-175.5-163.768.4000111.6F230 F259 L267 Y270F230-I263 HydrophobicContact CE2-CG2 4.37Å; F259-I263 HydrophobicContact CD1-CB 4.36Å; F259-I263 HydrophobicContact CD1-CG2 4.04Å; F259-I263 HydrophobicContact CD2-CB 4.45Å; F259-I263 HydrophobicContact CE1-CB 4.04Å; F259-I263 HydrophobicContact CE1-CG1 4.08Å; F259-I263 HydrophobicContact CE1-CG2 3.76Å; F259-I263 HydrophobicContact CE2-CB 4.15Å; F259-I263 HydrophobicContact CE2-CD1 3.79Å; F259-I263 HydrophobicContact CE2-CG1 3.97Å; F259-I263 HydrophobicContact CZ-CB 3.94Å; F259-I263 HydrophobicContact CZ-CD1 3.85Å; F259-I263 HydrophobicContact CZ-CG1 3.59Å; F259-I263 HydrophobicContact CZ-CG2 4.15Å; F259-I263 WeakPolarHBondContact O-CB 3.41Å; F259-I263 WeakPolarHBondContact O-CG2 3.44Å; F259-I263 PolarHBondContact O-N 2.58Å; I263-L267 HydrophobicContact CD1-CD2 4Å; I263-L267 HydrophobicContact CG1-CD2 3.48Å; I263-L267 VanDerWaalsContact CG1-CD2 3.48Å; I263-Y270 HydrophobicContact CD1-CD2 3.93Å; I263-Y270 HydrophobicContact CD1-CG 4.39Å
264C95.9Very high95Very high52 Ų5252.7 Ų52.735%0.35129%0.292SS..  trans-72.8151.8170.7-71.20000110.9D266 L267 N269C264-D266 WeakPolarHBondContact CB-OD1 3.31Å; C264-D266 PolarHBondContact O-N 3.34Å; C264-L267 PolarHBondContact O-N 3.07Å; C264-N269 WeakPolarHBondContact CB-OD1 3.47Å; C264-N269 PolarHBondContact N-OD1 3.36Å
265N94.3Very high94.9Very high98 Ų9855.9 Ų55.952%0.52432%0.324SS..THydrogen-bonded Turntrans-60.4-20.1179.4-65.6-4.4000114.1F231 H232F231-N265 HydrophobicContact CD1-CB 3.84Å; F231-N265 WeakPolarHBondContact CD1-OD1 3.26Å; F231-N265 HydrophobicContact CE1-CB 3.65Å; F231-N265 HydrophobicContact CG-CB 4.47Å; F231-N265 WeakPolarHBondContact CG-OD1 3.43Å; F231-N265 HydrophobicContact CZ-CB 4.13Å; H232-N265 PolarHBondContact CE1-O 2.88Å; H232-N265 PolarHBondContact NE2-O 3.35Å
266D93Very high94.9Very high96 Ų9657 Ų5751%0.51333%0.326SS..THydrogen-bonded Turntrans-101.42.117766.9-9.7000113.1C264 S268C264-D266 WeakPolarHBondContact CB-OD1 3.31Å; C264-D266 PolarHBondContact O-N 3.34Å; D266-S268 VanDerWaalsContact CG-OG 3.29Å; D266-S268 PolarHBondContact O-N 2.8Å; D266-S268 VanDerWaalsContact O-N 3.16Å; D266-S268 VanDerWaalsContact OD1-CB 3.25Å; D266-S268 WeakPolarHBondContact OD1-CB 3.4Å; D266-S268 PolarHBondContact OD1-N 2.92Å; D266-S268 PolarHBondContact OD1-OG 3.09Å; D266-S268 WeakPolarHBondContact OD2-CB 3.49Å; D266-S268 PolarHBondContact OD2-OG 3.25Å
267L94.6Very high94.7Very high1 Ų157.8 Ų57.81%0.00533%0.331CS..  trans59.817.4-176.9-46.3177.1000114.5H232 I263 C264 N269 Y270 V284 M287 R288 M291H232-L267 WeakPolarHBondContact NE2-CD2 3.47Å; I263-L267 HydrophobicContact CD1-CD2 4Å; I263-L267 HydrophobicContact CG1-CD2 3.48Å; I263-L267 VanDerWaalsContact CG1-CD2 3.48Å; C264-L267 PolarHBondContact O-N 3.07Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 3.49Å; L267-Y270 WeakPolarHBondContact O-CB 3.5Å; L267-Y270 PolarHBondContact O-N 3.47Å; L267-V284 HydrophobicContact CD1-CG1 4.25Å; L267-M287 HydrophobicContact CD1-CB 3.35Å; L267-M287 HydrophobicContact CD1-CG 4Å; L267-R288 PolarHBondContact O-NH2 3.37Å; L267-M291 HydrophobicContact CD1-CE 3.57Å; L267-M291 HydrophobicContact CG-CE 4.1Å
268S94.5Very high94.4Very high79 Ų7961.8 Ų61.855%0.55236%0.355SS*.THydrogen-bonded Turntrans-66-30.1-17657.40000113.3D266 Y270D266-S268 VanDerWaalsContact CG-OG 3.29Å; D266-S268 PolarHBondContact O-N 2.8Å; D266-S268 VanDerWaalsContact O-N 3.16Å; D266-S268 VanDerWaalsContact OD1-CB 3.25Å; D266-S268 WeakPolarHBondContact OD1-CB 3.4Å; D266-S268 PolarHBondContact OD1-N 2.92Å; D266-S268 PolarHBondContact OD1-OG 3.09Å; D266-S268 WeakPolarHBondContact OD2-CB 3.49Å; D266-S268 PolarHBondContact OD2-OG 3.25Å; S268-Y270 VanDerWaalsContact C-N 3.34Å
269N95.9Very high94.3Very high75 Ų7559.8 Ų59.840%0.40135%0.345SS..THydrogen-bonded Turntrans-91.510.1-179.874.7-34.7000113.9V262 C264 L267 D271V262-N269 PolarHBondContact O-ND2 3.43Å; C264-N269 WeakPolarHBondContact CB-OD1 3.47Å; C264-N269 PolarHBondContact N-OD1 3.36Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 3.49Å; N269-D271 PolarHBondContact O-N 2.93Å
270Y96.5Very high94.1Very high18 Ų1859.8 Ų59.87%0.07134%0.344CS..  trans-69.6120.5177.8-171.1-110.2000111.9F259 I263 L267 S268 T272 W276 D281 V284F259-Y270 HydrophobicContact CD2-CE2 4.29Å; F259-Y270 AromaticContact CE2-CD2 3.74Å; F259-Y270 HydrophobicContact CE2-CD2 3.74Å; F259-Y270 AromaticContact CE2-CE2 3.64Å; F259-Y270 HydrophobicContact CE2-CE2 3.64Å; I263-Y270 HydrophobicContact CD1-CD2 3.93Å; I263-Y270 HydrophobicContact CD1-CG 4.39Å; L267-Y270 WeakPolarHBondContact O-CB 3.5Å; L267-Y270 PolarHBondContact O-N 3.47Å; S268-Y270 VanDerWaalsContact C-N 3.34Å; Y270-T272 HydrophobicContact CD1-CG2 4.13Å; Y270-T272 HydrophobicContact CE1-CG2 4.2Å; Y270-W276 AromaticContact CE2-CD1 3.57Å; Y270-W276 HydrophobicContact CE2-CG 4.14Å; Y270-W276 AromaticContact CE2-NE1 3.97Å; Y270-W276 AromaticContact CZ-CD1 3.94Å; Y270-D281 WeakPolarHBondContact OH-CA 3.21Å; Y270-D281 PolarHBondContact OH-N 3.4Å; Y270-D281 PolarHBondContact OH-OD1 2.95Å; Y270-V284 HydrophobicContact CD1-CB 4.02Å; Y270-V284 HydrophobicContact CD1-CG1 3.64Å; Y270-V284 HydrophobicContact CD1-CG2 4Å; Y270-V284 HydrophobicContact CD2-CG2 3.76Å; Y270-V284 HydrophobicContact CE1-CB 4.07Å; Y270-V284 HydrophobicContact CE1-CG1 4.16Å; Y270-V284 HydrophobicContact CE1-CG2 4.06Å; Y270-V284 HydrophobicContact CE2-CG2 3.82Å; Y270-V284 HydrophobicContact CG-CB 4.3Å; Y270-V284 HydrophobicContact CG-CG1 3.9Å; Y270-V284 HydrophobicContact CG-CG2 3.83Å
271D94.2Very high94Very high87 Ų8760.9 Ų60.947%0.46535%0.349SS..  trans-92.7107.5174.8-178.812.4000111.3N269 Q273 G274N269-D271 PolarHBondContact O-N 2.93Å; D271-Q273 PolarHBondContact O-N 3.04Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.34Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.5Å; D271-Q273 PolarHBondContact OD1-N 3Å; D271-G274 PolarHBondContact O-N 2.92Å; D271-G274 PolarHBondContact OD2-N 3Å
272T89.8Confident94Very high84 Ų8460 Ų6052%0.51535%0.347SS..THydrogen-bonded Turntrans-66.6-14.5175.253.90000114.2Y270Y270-T272 HydrophobicContact CD1-CG2 4.13Å; Y270-T272 HydrophobicContact CE1-CG2 4.2Å
273Q90.4Very high94Very high165 Ų16556.2 Ų56.277%0.77132%0.323SS*.THydrogen-bonded Turntrans-98.41.2173.8-56.9-58-52.100111.8D271D271-Q273 PolarHBondContact O-N 3.04Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.34Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.5Å; D271-Q273 PolarHBondContact OD1-N 3Å
274G91.1Very high93.9Very high21 Ų2155.4 Ų55.422%0.21632%0.319CS..SBendtrans-65.7155.1174.500000111.5D271 W276D271-G274 PolarHBondContact O-N 2.92Å; D271-G274 PolarHBondContact OD2-N 3Å; G274-W276 PolarHBondContact O-N 3.15Å
275A94.3Very high93.8Very high102 Ų10258 Ų5884%0.84333%0.326SS*.  trans-77.838.7176.500000112.6
276W95.1Very high93.8Very high60 Ų6056.3 Ų56.323%0.22731%0.313CS..  trans-74.4149.1177-63.6114.9000110.5L255 D258 F259 V262 Y270 G274 L280L255-W276 HydrophobicContact CB-CE3 4.31Å; L255-W276 HydrophobicContact CB-CZ3 4.27Å; L255-W276 HydrophobicContact CD2-CE3 4.49Å; L255-W276 HydrophobicContact CD2-CZ3 4.12Å; D258-W276 HydrophobicContact CB-CH2 4.34Å; D258-W276 HydrophobicContact CB-CZ3 4.34Å; F259-W276 HydrophobicContact CB-CE3 4.48Å; F259-W276 HydrophobicContact CB-CH2 4.3Å; F259-W276 HydrophobicContact CB-CZ3 4.03Å; V262-W276 HydrophobicContact CG2-CH2 4Å; V262-W276 HydrophobicContact CG2-CZ2 3.89Å; Y270-W276 AromaticContact CE2-CD1 3.57Å; Y270-W276 HydrophobicContact CE2-CG 4.14Å; Y270-W276 AromaticContact CE2-NE1 3.97Å; Y270-W276 AromaticContact CZ-CD1 3.94Å; G274-W276 PolarHBondContact O-N 3.15Å; W276-L280 HydrophobicContact CB-CB 4.4Å; W276-L280 HydrophobicContact CE3-CD1 4.04Å
277P93.3Very high93.9Very high16 Ų1652.2 Ų52.210%0.10429%0.291CS..  trans-57.6141.1169.2-21.931.2000110.7T252 L255 L279 L280 D281T252-P277 HydrophobicContact CG2-CB 4.17Å; T252-P277 HydrophobicContact CG2-CG 4.37Å; L255-P277 HydrophobicContact CB-CG 4.04Å; L255-P277 HydrophobicContact CD1-CG 3.67Å; L255-P277 HydrophobicContact CG-CG 4.48Å; P277-L279 PolarHBondContact O-N 3.29Å; P277-L280 HydrophobicContact CG-CD1 4.32Å; P277-L280 WeakPolarHBondContact O-CA 3.41Å; P277-L280 WeakPolarHBondContact O-CB 3.31Å; P277-L280 PolarHBondContact O-N 3.49Å; P277-D281 PolarHBondContact O-N 3.1Å
278T92.6Very high93.8Very high88 Ų8856.8 Ų56.854%0.5431%0.308SS..Hα-helixtrans-52-27.9176.9-48.10000113.5L280 D281 E282T278-L280 VanDerWaalsContact C-N 3.32Å; T278-L280 PolarHBondContact O-N 3.27Å; T278-D281 WeakPolarHBondContact CA-OD2 3.32Å; T278-D281 WeakPolarHBondContact O-CB 3.34Å; T278-D281 PolarHBondContact O-N 3.25Å; T278-E282 HydrophobicContact CG2-CG 4.45Å; T278-E282 WeakPolarHBondContact O-CB 3.36Å; T278-E282 VanDerWaalsContact O-CG 3.31Å; T278-E282 WeakPolarHBondContact O-CG 3.39Å; T278-E282 PolarHBondContact O-N 3.02Å
279L92.6Very high93.7Very high15 Ų1558.4 Ų58.48%0.07931%0.305CS..Hα-helixtrans-66.2-33.1176.5-169.265.2000112.9W236 F239 L240 I248 T252 P277 F283W236-L279 HydrophobicContact CH2-CD2 3.83Å; W236-L279 HydrophobicContact CH2-CG 3.85Å; W236-L279 HydrophobicContact CZ2-CD2 4.31Å; W236-L279 HydrophobicContact CZ3-CG 4.45Å; F239-L279 HydrophobicContact CE1-CD1 3.69Å; F239-L279 HydrophobicContact CE1-CG 4.06Å; F239-L279 WeakPolarHBondContact CE1-O 3.31Å; F239-L279 HydrophobicContact CZ-CD1 3.94Å; L240-L279 HydrophobicContact CD2-CD1 4.21Å; L240-L279 HydrophobicContact CD2-CD2 3.84Å; L240-L279 HydrophobicContact CD2-CG 4.28Å; I248-L279 HydrophobicContact CD1-CD2 3.61Å; T252-L279 HydrophobicContact CG2-CB 4.26Å; T252-L279 HydrophobicContact CG2-CD2 3.83Å; P277-L279 PolarHBondContact O-N 3.29Å; L279-F283 WeakPolarHBondContact O-CB 3.45Å; L279-F283 PolarHBondContact O-N 2.82Å; L279-F283 VanDerWaalsContact O-N 3.07Å
280L94.8Very high93.4Very high0 Ų056.8 Ų56.80%030%0.297CS..Hα-helixtrans-75.9-35.8174.4-78.4170.3000111.3W236 L255 V256 F259 W276 P277 T278 F283 V284W236-L280 HydrophobicContact CE3-CD2 4.33Å; W236-L280 HydrophobicContact CH2-CD2 3.99Å; W236-L280 HydrophobicContact CH2-CG 4.42Å; W236-L280 HydrophobicContact CZ3-CD2 3.69Å; W236-L280 HydrophobicContact CZ3-CG 4.44Å; L255-L280 HydrophobicContact CB-CD1 4.46Å; V256-L280 HydrophobicContact CG2-CD1 4.41Å; V256-L280 HydrophobicContact CG2-CD2 4.24Å; F259-L280 HydrophobicContact CB-CD1 3.9Å; F259-L280 HydrophobicContact CB-CD2 4.27Å; F259-L280 HydrophobicContact CD1-CD2 3.82Å; F259-L280 HydrophobicContact CD2-CD1 4.23Å; F259-L280 HydrophobicContact CD2-CD2 4.1Å; F259-L280 HydrophobicContact CE1-CD2 4.15Å; F259-L280 HydrophobicContact CE2-CD2 4.39Å; F259-L280 HydrophobicContact CG-CD1 4.12Å; F259-L280 HydrophobicContact CG-CD2 3.8Å; F259-L280 HydrophobicContact CZ-CD2 4.41Å; W276-L280 HydrophobicContact CB-CB 4.4Å; W276-L280 HydrophobicContact CE3-CD1 4.04Å; P277-L280 HydrophobicContact CG-CD1 4.32Å; P277-L280 WeakPolarHBondContact O-CA 3.41Å; P277-L280 WeakPolarHBondContact O-CB 3.31Å; P277-L280 PolarHBondContact O-N 3.49Å; T278-L280 VanDerWaalsContact C-N 3.32Å; T278-L280 PolarHBondContact O-N 3.27Å; L280-F283 HydrophobicContact CD2-CD1 4.44Å; L280-F283 WeakPolarHBondContact O-CB 3.43Å; L280-F283 PolarHBondContact O-N 3.46Å; L280-V284 WeakPolarHBondContact O-CG2 3.46Å; L280-V284 PolarHBondContact O-N 3.32Å
281D94.4Very high93Very high39 Ų3958.8 Ų58.821%0.20931%0.307CS..Hα-helixtrans-58-51.7170-65.3-51.1000111.2Y270 P277 T278 F283 V284 E285Y270-D281 WeakPolarHBondContact OH-CA 3.21Å; Y270-D281 PolarHBondContact OH-N 3.4Å; Y270-D281 PolarHBondContact OH-OD1 2.95Å; P277-D281 PolarHBondContact O-N 3.1Å; T278-D281 WeakPolarHBondContact CA-OD2 3.32Å; T278-D281 WeakPolarHBondContact O-CB 3.34Å; T278-D281 PolarHBondContact O-N 3.25Å; D281-F283 PolarHBondContact O-N 2.94Å; D281-V284 PolarHBondContact O-N 3Å; D281-V284 VanDerWaalsContact O-N 3.15Å; D281-E285 PolarHBondContact O-N 3.22Å
282E94.1Very high92.7Very high66 Ų6660.2 Ų60.231%0.30831%0.311SS..Hα-helixtrans-60.2-35.1178.4-73.8172.6171.500112F239 K246 T278 Y286F239-E282 HydrophobicContact CE2-CB 4.16Å; F239-E282 HydrophobicContact CZ-CB 3.72Å; K246-E282 IonicContact NZ-OE1 3.94Å; K246-E282 PolarHBondContact NZ-OE1 3.36Å; K246-E282 IonicContact NZ-OE2 2.6Å; K246-E282 PolarHBondContact NZ-OE2 3.18Å; T278-E282 HydrophobicContact CG2-CG 4.45Å; T278-E282 WeakPolarHBondContact O-CB 3.36Å; T278-E282 VanDerWaalsContact O-CG 3.31Å; T278-E282 WeakPolarHBondContact O-CG 3.39Å; T278-E282 PolarHBondContact O-N 3.02Å; E282-Y286 VanDerWaalsContact O-CB 3.31Å; E282-Y286 WeakPolarHBondContact O-CB 3.17Å; E282-Y286 PolarHBondContact O-N 3.5Å
283F95.3Very high92.6Very high0 Ų061.6 Ų61.60%031%0.31CS..Hα-helixtrans-66.2-44.6175.1170.5-116.7000112.6F230 H232 N235 W236 F239 F259 L279 L280 D281 E285 Y286 M287F230-F283 HydrophobicContact CZ-CE1 4.34Å; H232-F283 HydrophobicContact CB-CE1 4.37Å; H232-F283 HydrophobicContact CB-CZ 3.94Å; N235-F283 HydrophobicContact CB-CE2 4.09Å; N235-F283 HydrophobicContact CB-CZ 4.25Å; W236-F283 VanDerWaalsContact CA-CE2 3.49Å; W236-F283 HydrophobicContact CB-CE2 4.13Å; W236-F283 HydrophobicContact CB-CZ 4.11Å; W236-F283 HydrophobicContact CE3-CB 3.88Å; W236-F283 AromaticContact CE3-CD1 3.8Å; W236-F283 HydrophobicContact CE3-CD1 3.8Å; W236-F283 AromaticContact CE3-CD2 3.74Å; W236-F283 HydrophobicContact CE3-CD2 3.74Å; W236-F283 HydrophobicContact CE3-CE1 4.26Å; W236-F283 HydrophobicContact CE3-CE2 4.22Å; W236-F283 AromaticContact CE3-CG 3.5Å; W236-F283 HydrophobicContact CE3-CG 3.5Å; W236-F283 HydrophobicContact CE3-CZ 4.45Å; W236-F283 HydrophobicContact CZ3-CB 3.64Å; W236-F283 HydrophobicContact CZ3-CD1 4.19Å; W236-F283 HydrophobicContact CZ3-CD2 4.37Å; W236-F283 AromaticContact CZ3-CG 3.81Å; W236-F283 HydrophobicContact CZ3-CG 3.81Å; F239-F283 HydrophobicContact CB-CD2 3.69Å; F239-F283 HydrophobicContact CB-CE2 4.18Å; F239-F283 HydrophobicContact CD1-CB 3.78Å; F239-F283 AromaticContact CD1-CD2 3.79Å; F239-F283 HydrophobicContact CD1-CD2 3.79Å; F239-F283 HydrophobicContact CD1-CG 4.19Å; F239-F283 HydrophobicContact CD2-CD2 4.48Å; F239-F283 HydrophobicContact CE1-CB 3.72Å; F239-F283 HydrophobicContact CG-CB 4.25Å; F239-F283 AromaticContact CG-CD2 3.73Å; F239-F283 HydrophobicContact CG-CD2 3.73Å; F239-F283 HydrophobicContact CG-CG 4.48Å; F239-F283 HydrophobicContact CZ-CB 4.14Å; F259-F283 HydrophobicContact CE1-CD1 4.12Å; F259-F283 AromaticContact CE1-CE1 3.91Å; F259-F283 HydrophobicContact CE1-CE1 3.91Å; F259-F283 HydrophobicContact CZ-CD1 4.2Å; F259-F283 HydrophobicContact CZ-CE1 4.26Å; L279-F283 WeakPolarHBondContact O-CB 3.45Å; L279-F283 PolarHBondContact O-N 2.82Å; L279-F283 VanDerWaalsContact O-N 3.07Å; L280-F283 HydrophobicContact CD2-CD1 4.44Å; L280-F283 WeakPolarHBondContact O-CB 3.43Å; L280-F283 PolarHBondContact O-N 3.46Å; D281-F283 PolarHBondContact O-N 2.94Å; F283-E285 VanDerWaalsContact C-N 3.34Å; F283-Y286 HydrophobicContact CD2-CD1 4.42Å; F283-Y286 WeakPolarHBondContact O-CB 3.35Å; F283-Y286 PolarHBondContact O-N 3.2Å; F283-M287 HydrophobicContact CD2-CG 4.09Å; F283-M287 HydrophobicContact CE1-CG 4.23Å; F283-M287 HydrophobicContact CE2-CG 3.56Å; F283-M287 HydrophobicContact CE2-SD 4.01Å; F283-M287 HydrophobicContact CZ-CG 3.65Å; F283-M287 HydrophobicContact CZ-SD 4.15Å; F283-M287 WeakPolarHBondContact O-CG 3.4Å; F283-M287 PolarHBondContact O-N 2.96Å
284V95.7Very high92.2Very high1 Ų159.3 Ų59.31%0.00630%0.299CS..Hα-helixtrans-64.8-40.9177.71720000110.8F259 L267 Y270 L280 D281 M287 R288F259-V284 HydrophobicContact CE2-CG2 4.07Å; F259-V284 HydrophobicContact CZ-CG2 3.85Å; L267-V284 HydrophobicContact CD1-CG1 4.25Å; Y270-V284 HydrophobicContact CD1-CB 4.02Å; Y270-V284 HydrophobicContact CD1-CG1 3.64Å; Y270-V284 HydrophobicContact CD1-CG2 4Å; Y270-V284 HydrophobicContact CD2-CG2 3.76Å; Y270-V284 HydrophobicContact CE1-CB 4.07Å; Y270-V284 HydrophobicContact CE1-CG1 4.16Å; Y270-V284 HydrophobicContact CE1-CG2 4.06Å; Y270-V284 HydrophobicContact CE2-CG2 3.82Å; Y270-V284 HydrophobicContact CG-CB 4.3Å; Y270-V284 HydrophobicContact CG-CG1 3.9Å; Y270-V284 HydrophobicContact CG-CG2 3.83Å; L280-V284 WeakPolarHBondContact O-CG2 3.46Å; L280-V284 PolarHBondContact O-N 3.32Å; D281-V284 PolarHBondContact O-N 3Å; D281-V284 VanDerWaalsContact O-N 3.15Å; V284-M287 PolarHBondContact O-N 3.34Å; V284-R288 WeakPolarHBondContact O-CG 3.46Å; V284-R288 PolarHBondContact O-N 2.98Å
285E93.8Very high91.8Very high108 Ų10863.1 Ų63.151%0.50532%0.315SS..Hα-helixtrans-61.1-43.4172.7-72.1-172.3-177.300112.6D281 F283 M287 R288 K289D281-E285 PolarHBondContact O-N 3.22Å; F283-E285 VanDerWaalsContact C-N 3.34Å; E285-M287 VanDerWaalsContact C-N 3.32Å; E285-M287 PolarHBondContact O-N 3.19Å; E285-R288 PolarHBondContact O-N 3.36Å; E285-K289 WeakPolarHBondContact O-CG 3.45Å; E285-K289 PolarHBondContact O-N 2.98Å; E285-K289 IonicContact OE2-NZ 3.47Å
286Y94Very high91.3Very high61 Ų6164 Ų6424%0.23930%0.303CS..Hα-helixtrans-58.5-44.8175.6167.9-96.1000111.5F239 E282 F283 N290F239-Y286 HydrophobicContact CB-CD1 3.75Å; F239-Y286 HydrophobicContact CB-CE1 3.81Å; F239-Y286 HydrophobicContact CB-CG 4.31Å; F239-Y286 AromaticContact CD2-CD1 3.94Å; F239-Y286 HydrophobicContact CD2-CD1 3.94Å; F239-Y286 HydrophobicContact CD2-CD2 4.08Å; F239-Y286 AromaticContact CD2-CG 3.64Å; F239-Y286 HydrophobicContact CD2-CG 3.64Å; F239-Y286 HydrophobicContact CE2-CG 4.46Å; F239-Y286 HydrophobicContact CG-CD1 4.22Å; F239-Y286 HydrophobicContact CG-CG 4.37Å; E282-Y286 VanDerWaalsContact O-CB 3.31Å; E282-Y286 WeakPolarHBondContact O-CB 3.17Å; E282-Y286 PolarHBondContact O-N 3.5Å; F283-Y286 HydrophobicContact CD2-CD1 4.42Å; F283-Y286 WeakPolarHBondContact O-CB 3.35Å; F283-Y286 PolarHBondContact O-N 3.2Å; Y286-N290 WeakPolarHBondContact CE1-ND2 3.45Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.48Å; Y286-N290 PolarHBondContact O-N 3Å; Y286-N290 VanDerWaalsContact O-N 3.09Å; Y286-N290 PolarHBondContact OH-ND2 3.43Å
287M94.8Very high90.6Very high11 Ų1168.6 Ų68.65%0.05433%0.327CS..Hα-helixtrans-64-47178.1-75.5-65.9-75.400112.7N235 L267 F283 V284 E285 K289 N290 M291N235-M287 HydrophobicContact CB-CE 3.92Å; N235-M287 HydrophobicContact CB-SD 3.36Å; N235-M287 WeakPolarHBondContact CB-SD 3.31Å; N235-M287 VanDerWaalsContact CG-SD 3.55Å; N235-M287 WeakPolarHBondContact ND2-CE 3.37Å; L267-M287 HydrophobicContact CD1-CB 3.35Å; L267-M287 HydrophobicContact CD1-CG 4Å; F283-M287 HydrophobicContact CD2-CG 4.09Å; F283-M287 HydrophobicContact CE1-CG 4.23Å; F283-M287 HydrophobicContact CE2-CG 3.56Å; F283-M287 HydrophobicContact CE2-SD 4.01Å; F283-M287 HydrophobicContact CZ-CG 3.65Å; F283-M287 HydrophobicContact CZ-SD 4.15Å; F283-M287 WeakPolarHBondContact O-CG 3.4Å; F283-M287 PolarHBondContact O-N 2.96Å; V284-M287 PolarHBondContact O-N 3.34Å; E285-M287 VanDerWaalsContact C-N 3.32Å; E285-M287 PolarHBondContact O-N 3.19Å; M287-K289 PolarHBondContact O-N 3.43Å; M287-N290 PolarHBondContact O-N 2.91Å; M287-M291 HydrophobicContact CB-CE 3.95Å; M287-M291 HydrophobicContact CE-CE 4.23Å; M287-M291 WeakPolarHBondContact O-CG 3.49Å; M287-M291 PolarHBondContact O-N 2.8Å
288R93.5Very high89.7Confident96 Ų9675 Ų7536%0.36236%0.359SS..Hα-helixtrans-59.8-44.9178.2-73.2175.8178.1167.60.4111.6L267 V284 E285 N290 M291 E292L267-R288 PolarHBondContact O-NH2 3.37Å; V284-R288 WeakPolarHBondContact O-CG 3.46Å; V284-R288 PolarHBondContact O-N 2.98Å; E285-R288 PolarHBondContact O-N 3.36Å; R288-N290 VanDerWaalsContact C-N 3.31Å; R288-N290 PolarHBondContact O-N 3.07Å; R288-M291 PolarHBondContact O-N 2.9Å; R288-E292 WeakPolarHBondContact O-CG 3.45Å; R288-E292 PolarHBondContact O-N 3.23Å
289K92.1Very high88Confident113 Ų11381.4 Ų81.449%0.49138%0.383SS..Hα-helixtrans-60.6-37.9175.5-73.6171-177.4163.30112.7E285 M287 K293E285-K289 WeakPolarHBondContact O-CG 3.45Å; E285-K289 PolarHBondContact O-N 2.98Å; E285-K289 IonicContact OE2-NZ 3.47Å; M287-K289 PolarHBondContact O-N 3.43Å; K289-K293 VanDerWaalsContact O-CG 3.32Å; K289-K293 WeakPolarHBondContact O-CG 3.41Å; K289-K293 PolarHBondContact O-N 2.49Å; K289-K293 VanDerWaalsContact O-N 3.1Å
290N89.8Confident87.8Confident42 Ų4284.7 Ų84.723%0.22540%0.398CS..Hα-helixtrans-72.2-37.8178-72.7-12000112.2Y286 M287 R288 K293 Q294Y286-N290 WeakPolarHBondContact CE1-ND2 3.45Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.48Å; Y286-N290 PolarHBondContact O-N 3Å; Y286-N290 VanDerWaalsContact O-N 3.09Å; Y286-N290 PolarHBondContact OH-ND2 3.43Å; M287-N290 PolarHBondContact O-N 2.91Å; R288-N290 VanDerWaalsContact C-N 3.31Å; R288-N290 PolarHBondContact O-N 3.07Å; N290-K293 PolarHBondContact O-N 3.44Å; N290-Q294 WeakPolarHBondContact O-CG 3.37Å; N290-Q294 PolarHBondContact O-N 3.31Å
291M87.1Confident87.4Confident59 Ų5989.2 Ų89.229%0.29142%0.419SS..Hα-helixtrans-64.7-42173.5-70.3-175.5-116.700111.8L267 M287 R288 K293 Q294 N295L267-M291 HydrophobicContact CD1-CE 3.57Å; L267-M291 HydrophobicContact CG-CE 4.1Å; M287-M291 HydrophobicContact CB-CE 3.95Å; M287-M291 HydrophobicContact CE-CE 4.23Å; M287-M291 WeakPolarHBondContact O-CG 3.49Å; M287-M291 PolarHBondContact O-N 2.8Å; R288-M291 PolarHBondContact O-N 2.9Å; M291-K293 PolarHBondContact O-N 3.28Å; M291-Q294 PolarHBondContact O-N 3.31Å; M291-N295 WeakPolarHBondContact O-CB 3.21Å; M291-N295 VanDerWaalsContact O-CG 3.28Å; M291-N295 PolarHBondContact O-N 3.05Å; M291-N295 PolarHBondContact O-ND2 3.22Å
292E88.8Confident87Confident117 Ų11791.9 Ų91.955%0.54743%0.431SS..Hα-helixtrans-59.9-44.5174.3-74.2169.9-176.400111.7R288 N295 M296R288-E292 WeakPolarHBondContact O-CG 3.45Å; R288-E292 PolarHBondContact O-N 3.23Å; E292-N295 PolarHBondContact O-N 3.38Å; E292-M296 WeakPolarHBondContact O-CG 3.47Å; E292-M296 PolarHBondContact O-N 2.67Å
293K87.3Confident86.6Confident114 Ų11493.5 Ų93.550%0.49644%0.438SS..Hα-helixtrans-61.5-45.7176.1-74.8175.7-178.4-177.70112.7K289 N290 M291 N295 M296 E297K289-K293 VanDerWaalsContact O-CG 3.32Å; K289-K293 WeakPolarHBondContact O-CG 3.41Å; K289-K293 PolarHBondContact O-N 2.49Å; K289-K293 VanDerWaalsContact O-N 3.1Å; N290-K293 PolarHBondContact O-N 3.44Å; M291-K293 PolarHBondContact O-N 3.28Å; K293-N295 VanDerWaalsContact C-N 3.31Å; K293-N295 PolarHBondContact O-N 2.72Å; K293-M296 HydrophobicContact CG-CE 4.18Å; K293-M296 PolarHBondContact O-N 3.02Å; K293-E297 WeakPolarHBondContact O-CG 3.49Å; K293-E297 PolarHBondContact O-N 2.85Å
294Q82.3Confident86.1Confident117 Ų11799.3 Ų99.355%0.54747%0.466SS..Hα-helixtrans-62.3-39.5177.4-73.5175.4-8.300111.9N290 M291 M296 E297 L298N290-Q294 WeakPolarHBondContact O-CG 3.37Å; N290-Q294 PolarHBondContact O-N 3.31Å; M291-Q294 PolarHBondContact O-N 3.31Å; Q294-M296 VanDerWaalsContact C-N 3.34Å; Q294-M296 PolarHBondContact O-N 3.37Å; Q294-E297 PolarHBondContact O-N 3.26Å; Q294-L298 WeakPolarHBondContact O-CD1 3.38Å; Q294-L298 VanDerWaalsContact O-CG 3.31Å; Q294-L298 WeakPolarHBondContact O-CG 3.25Å; Q294-L298 PolarHBondContact O-N 3.16Å
295N82.7Confident85.4Confident101 Ų101105.9 Ų105.954%0.5450%0.496SS..Hα-helixtrans-67.2-34.1176.2-71.8-17.7000112.6M291 E292 K293 Q299M291-N295 WeakPolarHBondContact O-CB 3.21Å; M291-N295 VanDerWaalsContact O-CG 3.28Å; M291-N295 PolarHBondContact O-N 3.05Å; M291-N295 PolarHBondContact O-ND2 3.22Å; E292-N295 PolarHBondContact O-N 3.38Å; K293-N295 VanDerWaalsContact C-N 3.31Å; K293-N295 PolarHBondContact O-N 2.72Å; N295-Q299 WeakPolarHBondContact O-CG 3.47Å
296M82.6Confident84.9Confident120 Ų120105.7 Ų105.759%0.59150%0.496SS*.Hα-helixtrans-72.8-32.2174.8-72.1-175.9-68.300112.9E292 K293 Q294 L298E292-M296 WeakPolarHBondContact O-CG 3.47Å; E292-M296 PolarHBondContact O-N 2.67Å; K293-M296 HydrophobicContact CG-CE 4.18Å; K293-M296 PolarHBondContact O-N 3.02Å; Q294-M296 VanDerWaalsContact C-N 3.34Å; Q294-M296 PolarHBondContact O-N 3.37Å; M296-L298 VanDerWaalsContact C-N 3.3Å
297E80.4Confident84.2Confident157 Ų157109.2 Ų109.273%0.73452%0.515SS*.Hα-helixtrans-75.8-18.5177.5-72.9173.6-176.600113.3K293 Q294K293-E297 WeakPolarHBondContact O-CG 3.49Å; K293-E297 PolarHBondContact O-N 2.85Å; Q294-E297 PolarHBondContact O-N 3.26Å
298L74.8Confident83.3Confident149 Ų149117.3 Ų117.378%0.7855%0.554SS**THydrogen-bonded Turntrans-92-4.8177.1-70.5169000113.6Q294 M296Q294-L298 WeakPolarHBondContact O-CD1 3.38Å; Q294-L298 VanDerWaalsContact O-CG 3.31Å; Q294-L298 WeakPolarHBondContact O-CG 3.25Å; Q294-L298 PolarHBondContact O-N 3.16Å; M296-L298 VanDerWaalsContact C-N 3.3Å
299Q57.8Low82.3Confident223 Ų223119.3 Ų119.3100%1.04257%0.571SS**  trans-100.60175.6-73.2-179.2-0.900111.1N295N295-Q299 WeakPolarHBondContact O-CG 3.47Å

Retrieved 299 of 299 residues in 161.5 ms (Link to these results)

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