A0A077Z902_TRITR Loading...

Regulator of G protein signaling 7

AlphaFold DB , UniProt , Accession A0A077Z902, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 461 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
1M32.9Very low54Low238 Ų238121.3 Ų121.3100%1.17263%0.626SS**  0114.30-81.4174.6171.500107.1T3M1-T3 PolarHBondContact O-N 3.42Å
2N33.1Very low56.8Low148 Ų148115.7 Ų115.779%0.79159%0.592SS**  trans-56.1124.3-162.6-66.3-16.9000112.5W4N2-W4 PolarHBondContact O-N 2.93Å; N2-W4 VanDerWaalsContact O-N 3.13Å
3T35.2Very low59.2Low118 Ų118110.6 Ų110.672%0.72456%0.564SS**  trans-66.5102.5172.841.10000109.1M1 G5M1-T3 PolarHBondContact O-N 3.42Å; T3-G5 PolarHBondContact O-N 3.03Å
4W43.1Very low61.5Low208 Ų208110.3 Ų110.379%0.78856%0.563SS**THydrogen-bonded Turntrans-69.421.9172.8-69.183.1000113.5N2N2-W4 PolarHBondContact O-N 2.93Å; N2-W4 VanDerWaalsContact O-N 3.13Å
5G46.8Very low63.6Low57 Ų57107.1 Ų107.159%0.58855%0.55SS**THydrogen-bonded Turntrans-91.9-19.7-170.200000116T3T3-G5 PolarHBondContact O-N 3.03Å
6D52.7Low65.6Low115 Ų115100.9 Ų100.962%0.61552%0.518SS*.SBendtrans-106.51-166.6-76.3-35.6000116.1
7R55.2Low67.3Low179 Ų179104.2 Ų104.268%0.67552%0.522SS*.SBendtrans-78.6132.1173.6-79.2-164.5-102.5-157.5-1.5110.3Q9R7-Q9 PolarHBondContact O-N 3.29Å
8P61.9Low68.9Low116 Ų116107.2 Ų107.275%0.75353%0.531SS*.PPolyproline II helixtrans-53.2118.8170.7-2.66.1000108
9Q70.8Confident70.4Confident100 Ų100102.6 Ų102.647%0.46751%0.509SS..PPolyproline II helixtrans-81.3135.2178.5-69.3178.819.100108.8R7 H13R7-Q9 PolarHBondContact O-N 3.29Å; Q9-H13 HydrophobicContact CB-CB 4.26Å; Q9-H13 PolarHBondContact OE1-CD2 3.42Å; Q9-H13 PolarHBondContact OE1-CE1 3.46Å; Q9-H13 VanDerWaalsContact OE1-CE1 3.26Å; Q9-H13 PolarHBondContact OE1-ND1 3.12Å; Q9-H13 PolarHBondContact OE1-NE2 3.03Å
10H79.8Confident71.8Confident23 Ų2398.8 Ų98.811%0.10649%0.489CS..PPolyproline II helixtrans-51.6140.7171.6-160.1-104.7000110.2Y12 H13 Y16 I204H10-Y12 AromaticContact CE1-CD2 3.46Å; H10-Y12 VanDerWaalsContact CE1-CD2 3.46Å; H10-Y12 WeakPolarHBondContact CE1-CD2 3.47Å; H10-Y12 AromaticContact ND1-CD2 3.69Å; H10-Y12 PolarHBondContact ND1-N 3.26Å; H10-Y12 PolarHBondContact O-N 3.43Å; H10-H13 HydrophobicContact CB-CB 4.3Å; H10-H13 VanDerWaalsContact O-CB 3.28Å; H10-H13 WeakPolarHBondContact O-CB 3.15Å; H10-H13 PolarHBondContact O-N 3.31Å; H10-H13 PolarHBondContact O-ND1 3.47Å; H10-Y16 HydrophobicContact CB-CD2 4.18Å; H10-Y16 HydrophobicContact CB-CE2 3.99Å; H10-Y16 AromaticContact CE1-CE2 3.55Å; H10-Y16 AromaticContact CE1-CZ 3.7Å; H10-Y16 PolarHBondContact CE1-OH 3.16Å; H10-Y16 AromaticContact CG-CE2 3.48Å; H10-Y16 VanDerWaalsContact CG-CE2 3.48Å; H10-Y16 AromaticContact ND1-CD2 3.94Å; H10-Y16 AromaticContact ND1-CE2 3.06Å; H10-Y16 WeakPolarHBondContact ND1-CE2 3.44Å; H10-Y16 AromaticContact ND1-CZ 3.58Å; H10-Y16 PolarHBondContact ND1-OH 3.37Å; H10-I204 WeakPolarHBondContact NE2-CD1 3.3Å
11P82.5Confident72.9Confident32 Ų32100.9 Ų100.921%0.20850%0.496CS..THydrogen-bonded Turntrans-56.9-22.8176.7-22.731.2000113.7I204 K208 C212P11-I204 HydrophobicContact CB-CG2 4.08Å; P11-I204 HydrophobicContact CG-CD1 4.08Å; P11-I204 HydrophobicContact CG-CG2 3.85Å; P11-K208 HydrophobicContact CB-CB 3.99Å; P11-C212 VanDerWaalsContact CG-SG 3.54Å
12Y87.4Confident76Confident54 Ų5490.8 Ų90.821%0.21245%0.446CS..THydrogen-bonded Turntrans-106.118.4174.7-50.2-66000114.1H10 I14 V15 Y16 I204 D205 K208H10-Y12 AromaticContact CE1-CD2 3.46Å; H10-Y12 VanDerWaalsContact CE1-CD2 3.46Å; H10-Y12 WeakPolarHBondContact CE1-CD2 3.47Å; H10-Y12 AromaticContact ND1-CD2 3.69Å; H10-Y12 PolarHBondContact ND1-N 3.26Å; H10-Y12 PolarHBondContact O-N 3.43Å; Y12-I14 PolarHBondContact O-N 3.05Å; Y12-V15 WeakPolarHBondContact O-CB 3.4Å; Y12-V15 PolarHBondContact O-N 3.36Å; Y12-Y16 PolarHBondContact O-N 3.47Å; Y12-I204 HydrophobicContact CE2-CB 4.26Å; Y12-I204 HydrophobicContact CE2-CG1 4.05Å; Y12-I204 HydrophobicContact CE2-CG2 4.03Å; Y12-D205 PolarHBondContact OH-N 3.36Å; Y12-K208 HydrophobicContact CD1-CD 4.06Å; Y12-K208 HydrophobicContact CE1-CD 3.4Å
13H87.8Confident79.1Confident50 Ų5083.8 Ų83.823%0.23141%0.409CS..Hα-helixtrans-53.2-35.1-173.875.5-82.5000113.9Q9 H10 V15 Y16 R17Q9-H13 HydrophobicContact CB-CB 4.26Å; Q9-H13 PolarHBondContact OE1-CD2 3.42Å; Q9-H13 PolarHBondContact OE1-CE1 3.46Å; Q9-H13 VanDerWaalsContact OE1-CE1 3.26Å; Q9-H13 PolarHBondContact OE1-ND1 3.12Å; Q9-H13 PolarHBondContact OE1-NE2 3.03Å; H10-H13 HydrophobicContact CB-CB 4.3Å; H10-H13 VanDerWaalsContact O-CB 3.28Å; H10-H13 WeakPolarHBondContact O-CB 3.15Å; H10-H13 PolarHBondContact O-N 3.31Å; H10-H13 PolarHBondContact O-ND1 3.47Å; H13-V15 VanDerWaalsContact C-N 3.29Å; H13-V15 PolarHBondContact O-N 3.36Å; H13-Y16 PolarHBondContact O-N 3.5Å; H13-R17 WeakPolarHBondContact O-CB 3.49Å; H13-R17 WeakPolarHBondContact O-CG 3.35Å; H13-R17 PolarHBondContact O-N 3.46Å
14I91.6Very high82Confident106 Ų10683.8 Ų83.854%0.54440%0.401SS..Hα-helixtrans-64-36.1178.3-106.2166.6000111.5Y12 K18Y12-I14 PolarHBondContact O-N 3.05Å; I14-K18 WeakPolarHBondContact O-CG 3.45Å; I14-K18 PolarHBondContact O-N 3.31Å
15V94Very high84.6Confident63 Ų6378.5 Ų78.538%0.38239%0.387SS..Hα-helixtrans-71.3-47.2178.3-179.60000109.3Y12 H13 R17 K18 M19Y12-V15 WeakPolarHBondContact O-CB 3.4Å; Y12-V15 PolarHBondContact O-N 3.36Å; H13-V15 VanDerWaalsContact C-N 3.29Å; H13-V15 PolarHBondContact O-N 3.36Å; V15-R17 PolarHBondContact O-N 3.45Å; V15-K18 WeakPolarHBondContact O-CB 3.41Å; V15-K18 PolarHBondContact O-N 2.78Å; V15-K18 VanDerWaalsContact O-N 3.1Å; V15-M19 HydrophobicContact CG1-CE 4.07Å; V15-M19 HydrophobicContact CG1-SD 4.19Å; V15-M19 PolarHBondContact O-N 3.02Å
16Y94.5Very high87Confident7 Ų775.8 Ų75.83%0.02736%0.359CS..Hα-helixtrans-58.7-47177.1-62-23.4000112.2H10 Y12 H13 K18 M19 E20 H80 Y82 A109H10-Y16 HydrophobicContact CB-CD2 4.18Å; H10-Y16 HydrophobicContact CB-CE2 3.99Å; H10-Y16 AromaticContact CE1-CE2 3.55Å; H10-Y16 AromaticContact CE1-CZ 3.7Å; H10-Y16 PolarHBondContact CE1-OH 3.16Å; H10-Y16 AromaticContact CG-CE2 3.48Å; H10-Y16 VanDerWaalsContact CG-CE2 3.48Å; H10-Y16 AromaticContact ND1-CD2 3.94Å; H10-Y16 AromaticContact ND1-CE2 3.06Å; H10-Y16 WeakPolarHBondContact ND1-CE2 3.44Å; H10-Y16 AromaticContact ND1-CZ 3.58Å; H10-Y16 PolarHBondContact ND1-OH 3.37Å; Y12-Y16 PolarHBondContact O-N 3.47Å; H13-Y16 PolarHBondContact O-N 3.5Å; Y16-K18 PolarHBondContact O-N 2.97Å; Y16-K18 VanDerWaalsContact O-N 3.16Å; Y16-M19 HydrophobicContact CD1-SD 4.49Å; Y16-M19 WeakPolarHBondContact O-CB 3.48Å; Y16-M19 PolarHBondContact O-N 3.03Å; Y16-E20 WeakPolarHBondContact O-CB 3.49Å; Y16-E20 WeakPolarHBondContact O-CG 3.43Å; Y16-E20 PolarHBondContact O-N 3.49Å; Y16-H80 AromaticContact CE1-CD2 3.74Å; Y16-Y82 WeakPolarHBondContact CB-OH 3.28Å; Y16-A109 HydrophobicContact CE1-CB 4.15Å; Y16-A109 HydrophobicContact CE2-CB 4.01Å
17R94.9Very high89.1Confident158 Ų15874.1 Ų74.160%0.59635%0.35SS*.Hα-helixtrans-55.7-35.9175.4-78.4-174.8174.3-174.1-0.5113.6H13 V15 K21H13-R17 WeakPolarHBondContact O-CB 3.49Å; H13-R17 WeakPolarHBondContact O-CG 3.35Å; H13-R17 PolarHBondContact O-N 3.46Å; V15-R17 PolarHBondContact O-N 3.45Å; R17-K21 WeakPolarHBondContact O-CB 3.29Å; R17-K21 PolarHBondContact O-N 3.03Å; R17-K21 VanDerWaalsContact O-N 3.08Å
18K96.7Very high91Very high157 Ų15770.2 Ų70.268%0.68334%0.339SS*.Hα-helixtrans-70.8-44.1176.1-72.5-178.4177.9-168.30111.5I14 V15 Y16 K21 L22I14-K18 WeakPolarHBondContact O-CG 3.45Å; I14-K18 PolarHBondContact O-N 3.31Å; V15-K18 WeakPolarHBondContact O-CB 3.41Å; V15-K18 PolarHBondContact O-N 2.78Å; V15-K18 VanDerWaalsContact O-N 3.1Å; Y16-K18 PolarHBondContact O-N 2.97Å; Y16-K18 VanDerWaalsContact O-N 3.16Å; K18-K21 PolarHBondContact O-N 3.39Å; K18-L22 PolarHBondContact O-N 3.16Å; K18-L22 VanDerWaalsContact O-N 3.11Å
19M97.1Very high92.3Very high21 Ų2172.7 Ų72.710%0.10335%0.346CS..Hα-helixtrans-61.3-46.2175.7-70.6174.6162.600111.3V15 Y16 K21 L22 V23 M76 L77 H80 Y82V15-M19 HydrophobicContact CG1-CE 4.07Å; V15-M19 HydrophobicContact CG1-SD 4.19Å; V15-M19 PolarHBondContact O-N 3.02Å; Y16-M19 HydrophobicContact CD1-SD 4.49Å; Y16-M19 WeakPolarHBondContact O-CB 3.48Å; Y16-M19 PolarHBondContact O-N 3.03Å; M19-K21 PolarHBondContact O-N 3.47Å; M19-L22 WeakPolarHBondContact O-CB 3.49Å; M19-L22 PolarHBondContact O-N 2.95Å; M19-L22 VanDerWaalsContact O-N 3.12Å; M19-V23 VanDerWaalsContact O-CG2 3.3Å; M19-V23 WeakPolarHBondContact O-CG2 3.47Å; M19-V23 PolarHBondContact O-N 3.27Å; M19-M76 HydrophobicContact CE-CB 4.36Å; M19-L77 HydrophobicContact CB-CD2 3.83Å; M19-L77 HydrophobicContact CG-CD2 3.94Å; M19-H80 HydrophobicContact SD-CB 4.12Å; M19-Y82 HydrophobicContact CB-CD2 4.11Å; M19-Y82 HydrophobicContact CB-CE2 3.62Å; M19-Y82 HydrophobicContact CG-CE2 4.26Å; M19-Y82 HydrophobicContact SD-CD2 4.3Å; M19-Y82 HydrophobicContact SD-CE2 3.68Å
20E97.2Very high93.3Very high26 Ų2673.5 Ų73.512%0.12136%0.358CS..Hα-helixtrans-61.9-42.6178-69.4170.2178.300112.5Y16 L22 V23 Q24 Y82 W108 S110Y16-E20 WeakPolarHBondContact O-CB 3.49Å; Y16-E20 WeakPolarHBondContact O-CG 3.43Å; Y16-E20 PolarHBondContact O-N 3.49Å; E20-L22 VanDerWaalsContact C-N 3.27Å; E20-L22 PolarHBondContact O-N 3.46Å; E20-V23 PolarHBondContact O-N 3.3Å; E20-Q24 WeakPolarHBondContact O-CB 3.3Å; E20-Q24 VanDerWaalsContact O-CG 3.29Å; E20-Q24 WeakPolarHBondContact O-CG 3.47Å; E20-Q24 PolarHBondContact O-N 3.32Å; E20-Y82 HydrophobicContact CG-CD1 4.4Å; E20-Y82 HydrophobicContact CG-CE1 3.44Å; E20-Y82 VanDerWaalsContact CG-CE1 3.44Å; E20-W108 HydrophobicContact CB-CE3 4.24Å; E20-W108 HydrophobicContact CB-CH2 4.22Å; E20-W108 HydrophobicContact CB-CZ3 3.7Å; E20-W108 HydrophobicContact CG-CD2 4.21Å; E20-W108 HydrophobicContact CG-CE3 3.43Å; E20-W108 VanDerWaalsContact CG-CE3 3.43Å; E20-W108 HydrophobicContact CG-CH2 4.21Å; E20-W108 HydrophobicContact CG-CZ3 3.43Å; E20-W108 VanDerWaalsContact CG-CZ3 3.43Å; E20-S110 WeakPolarHBondContact OE1-CB 3.16Å; E20-S110 PolarHBondContact OE1-OG 3.47Å
21K96.7Very high93.9Very high142 Ų14278.5 Ų78.562%0.61738%0.381SS*.Hα-helixtrans-60.2-40.7174.6-174.3-179.9179.6-1750111R17 K18 M19 Q24 L25R17-K21 WeakPolarHBondContact O-CB 3.29Å; R17-K21 PolarHBondContact O-N 3.03Å; R17-K21 VanDerWaalsContact O-N 3.08Å; K18-K21 PolarHBondContact O-N 3.39Å; M19-K21 PolarHBondContact O-N 3.47Å; K21-Q24 PolarHBondContact O-N 3.01Å; K21-L25 WeakPolarHBondContact O-CG 3.4Å; K21-L25 PolarHBondContact O-N 2.97Å
22L97.2Very high94.6Very high27 Ų2777.6 Ų77.614%0.14138%0.378CS..Hα-helixtrans-66.1-44.3176-178.761.1000111.5K18 M19 E20 Q24 L25 M26 W57 V62 L73 L77K18-L22 PolarHBondContact O-N 3.16Å; K18-L22 VanDerWaalsContact O-N 3.11Å; M19-L22 WeakPolarHBondContact O-CB 3.49Å; M19-L22 PolarHBondContact O-N 2.95Å; M19-L22 VanDerWaalsContact O-N 3.12Å; E20-L22 VanDerWaalsContact C-N 3.27Å; E20-L22 PolarHBondContact O-N 3.46Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.31Å; L22-L25 WeakPolarHBondContact O-CB 3.49Å; L22-L25 PolarHBondContact O-N 3.15Å; L22-L25 VanDerWaalsContact O-N 3.1Å; L22-M26 HydrophobicContact CD1-CE 4.32Å; L22-M26 HydrophobicContact CD2-CE 4.14Å; L22-M26 HydrophobicContact CG-CE 3.91Å; L22-M26 HydrophobicContact CG-SD 4.5Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 3.23Å; L22-W57 HydrophobicContact CD1-CH2 4.35Å; L22-W57 HydrophobicContact CD1-CZ3 3.98Å; L22-V62 HydrophobicContact CD1-CG2 3.7Å; L22-V62 HydrophobicContact CD2-CG2 4.49Å; L22-L73 HydrophobicContact CD2-CD2 3.96Å; L22-L73 HydrophobicContact CD2-CG 4.42Å; L22-L77 HydrophobicContact CD2-CD1 4.11Å
23V97.6Very high95.1Very high0 Ų075.4 Ų75.40%037%0.371CS..Hα-helixtrans-61.4-37.7175.9173.10000111.3M19 E20 L25 M26 L27 L77 Y82 F102 W108M19-V23 VanDerWaalsContact O-CG2 3.3Å; M19-V23 WeakPolarHBondContact O-CG2 3.47Å; M19-V23 PolarHBondContact O-N 3.27Å; E20-V23 PolarHBondContact O-N 3.3Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.9Å; V23-M26 WeakPolarHBondContact O-CB 3.44Å; V23-M26 PolarHBondContact O-N 2.91Å; V23-L27 HydrophobicContact CG1-CD1 3.92Å; V23-L27 HydrophobicContact CG1-CG 4.37Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.03Å; V23-L77 HydrophobicContact CG2-CD2 4.12Å; V23-Y82 HydrophobicContact CG2-CD1 4.22Å; V23-Y82 HydrophobicContact CG2-CG 4.05Å; V23-F102 HydrophobicContact CG1-CD1 4.11Å; V23-F102 HydrophobicContact CG1-CE1 4.4Å; V23-W108 HydrophobicContact CG1-CZ2 4.08Å
24Q96.5Very high95.5Very high118 Ų11876.3 Ų76.355%0.55138%0.381SS*.Hα-helixtrans-62.2-37.1174.2-75.4172.7-0.600112.6E20 K21 L22 L27E20-Q24 WeakPolarHBondContact O-CB 3.3Å; E20-Q24 VanDerWaalsContact O-CG 3.29Å; E20-Q24 WeakPolarHBondContact O-CG 3.47Å; E20-Q24 PolarHBondContact O-N 3.32Å; K21-Q24 PolarHBondContact O-N 3.01Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.31Å; Q24-L27 PolarHBondContact O-N 2.76Å
25L97.2Very high95.8Very high97 Ų9774.6 Ų74.651%0.50838%0.375SS..Hα-helixtrans-67.5-40.6172.9-64.2172.2000111.2K21 L22 V23 L27 H28 W57K21-L25 WeakPolarHBondContact O-CG 3.4Å; K21-L25 PolarHBondContact O-N 2.97Å; L22-L25 WeakPolarHBondContact O-CB 3.49Å; L22-L25 PolarHBondContact O-N 3.15Å; L22-L25 VanDerWaalsContact O-N 3.1Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.9Å; L25-L27 PolarHBondContact O-N 2.85Å; L25-H28 VanDerWaalsContact O-CB 3.27Å; L25-H28 WeakPolarHBondContact O-CB 3.47Å; L25-H28 PolarHBondContact O-N 2.84Å; L25-H28 VanDerWaalsContact O-N 3.16Å; L25-W57 HydrophobicContact CB-CH2 3.81Å; L25-W57 HydrophobicContact CB-CZ2 4.27Å
26M97.8Very high95.8Very high1 Ų177.1 Ų77.11%0.00538%0.378CS..Hα-helixtrans-63.8-26.4176-67.2170.4168.300113.3L22 V23 H28 G32 V33 L54 W57 I58 L77 F102L22-M26 HydrophobicContact CD1-CE 4.32Å; L22-M26 HydrophobicContact CD2-CE 4.14Å; L22-M26 HydrophobicContact CG-CE 3.91Å; L22-M26 HydrophobicContact CG-SD 4.5Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 3.23Å; V23-M26 WeakPolarHBondContact O-CB 3.44Å; V23-M26 PolarHBondContact O-N 2.91Å; M26-H28 VanDerWaalsContact C-N 3.33Å; M26-G32 CarbonylContact O-C 3.51Å; M26-G32 WeakPolarHBondContact O-CA 3.26Å; M26-V33 HydrophobicContact CB-CG2 3.93Å; M26-V33 HydrophobicContact CG-CG2 4.04Å; M26-V33 PolarHBondContact O-N 3.37Å; M26-L54 HydrophobicContact CE-CD1 3.83Å; M26-L54 HydrophobicContact SD-CD1 3.96Å; M26-W57 HydrophobicContact CB-CH2 4.43Å; M26-W57 HydrophobicContact CB-CZ3 4.44Å; M26-W57 HydrophobicContact CE-CE3 3.83Å; M26-W57 HydrophobicContact CE-CZ3 3.71Å; M26-W57 HydrophobicContact CG-CD2 4.27Å; M26-W57 HydrophobicContact CG-CE3 3.63Å; M26-W57 HydrophobicContact CG-CH2 3.66Å; M26-W57 HydrophobicContact CG-CZ2 4.28Å; M26-W57 HydrophobicContact CG-CZ3 3.3Å; M26-W57 HydrophobicContact SD-CZ3 4.42Å; M26-I58 HydrophobicContact CE-CD1 3.48Å; M26-I58 VanDerWaalsContact CE-CD1 3.48Å; M26-I58 HydrophobicContact CE-CG1 3.33Å; M26-L77 HydrophobicContact CE-CD1 3.63Å; M26-L77 HydrophobicContact SD-CD1 4.03Å; M26-F102 HydrophobicContact CB-CE1 4.09Å; M26-F102 HydrophobicContact CB-CZ 3.75Å; M26-F102 HydrophobicContact SD-CE1 4.18Å; M26-F102 HydrophobicContact SD-CZ 4.5Å
27L96.3Very high95.8Very high80 Ų8080.1 Ų80.142%0.41940%0.397SS..THydrogen-bonded Turntrans-86.40.2178.3-72.3169.6000113.4V23 Q24 L25 F102V23-L27 HydrophobicContact CG1-CD1 3.92Å; V23-L27 HydrophobicContact CG1-CG 4.37Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.03Å; Q24-L27 PolarHBondContact O-N 2.76Å; L25-L27 PolarHBondContact O-N 2.85Å; L27-F102 HydrophobicContact CD2-CB 4.09Å; L27-F102 HydrophobicContact CD2-CD1 4.42Å; L27-F102 HydrophobicContact CD2-CD2 3.32Å; L27-F102 HydrophobicContact CD2-CE2 3.79Å; L27-F102 HydrophobicContact CD2-CG 3.7Å; L27-F102 HydrophobicContact CG-CD2 4.28Å; L27-F102 HydrophobicContact CG-CE2 4.47Å; L27-F102 HydrophobicContact CG-CG 4.41Å
28H94.7Very high95.8Very high97 Ų9774.4 Ų74.445%0.44938%0.379SS..  trans-65134.1-179.7-167.8-100.5000111.7L25 M26 T30 E31 G32L25-H28 VanDerWaalsContact O-CB 3.27Å; L25-H28 WeakPolarHBondContact O-CB 3.47Å; L25-H28 PolarHBondContact O-N 2.84Å; L25-H28 VanDerWaalsContact O-N 3.16Å; M26-H28 VanDerWaalsContact C-N 3.33Å; H28-T30 VanDerWaalsContact C-N 3.29Å; H28-T30 PolarHBondContact CE1-OG1 3.39Å; H28-T30 PolarHBondContact ND1-OG1 2.96Å; H28-T30 PolarHBondContact O-N 3.49Å; H28-E31 PolarHBondContact ND1-N 3.23Å; H28-G32 WeakPolarHBondContact O-CA 3.19Å; H28-G32 PolarHBondContact O-N 3.19Å
29D90.1Very high95.6Very high167 Ų16774.5 Ų74.589%0.89338%0.38SS*.THydrogen-bonded Turntrans-61-33.1-170-69.4-28.6000114.3
30T91.1Very high95.2Very high117 Ų11776.8 Ų76.872%0.71840%0.398SS*.THydrogen-bonded Turntrans-109.7-27.3-174.758.20000114.3H28H28-T30 VanDerWaalsContact C-N 3.29Å; H28-T30 PolarHBondContact CE1-OG1 3.39Å; H28-T30 PolarHBondContact ND1-OG1 2.96Å; H28-T30 PolarHBondContact O-N 3.49Å
31E94Very high94.7Very high128 Ų12885.6 Ų85.660%0.59844%0.436SS*.THydrogen-bonded Turntrans-117.6-1.3-172.5-64.8-177.6179.400111.8H28 W57H28-E31 PolarHBondContact ND1-N 3.23Å; E31-W57 PolarHBondContact O-NE1 3.05Å
32G96.8Very high94Very high14 Ų1486.1 Ų86.114%0.14444%0.444CS..SBendtrans-82.8-171.6-179.900000113.4M26 H28 W57M26-G32 CarbonylContact O-C 3.51Å; M26-G32 WeakPolarHBondContact O-CA 3.26Å; H28-G32 WeakPolarHBondContact O-CA 3.19Å; H28-G32 PolarHBondContact O-N 3.19Å; G32-W57 VanDerWaalsContact C-NE1 3.27Å; G32-W57 PolarHBondContact O-NE1 3.1Å
33V97.7Very high93.4Very high8 Ų887.4 Ų87.45%0.04846%0.455CS..  trans-69.2132.4174.2-179.80000108.4M26 V35 F49 D53 L54 W57 F102M26-V33 HydrophobicContact CB-CG2 3.93Å; M26-V33 HydrophobicContact CG-CG2 4.04Å; M26-V33 PolarHBondContact O-N 3.37Å; V33-V35 WeakPolarHBondContact O-CG2 3.4Å; V33-V35 PolarHBondContact O-N 2.88Å; V33-F49 HydrophobicContact CG1-CB 3.69Å; V33-F49 HydrophobicContact CG1-CD1 4.49Å; V33-F49 HydrophobicContact CG1-CD2 3.77Å; V33-F49 HydrophobicContact CG1-CG 3.74Å; V33-D53 HydrophobicContact CG1-CB 4.27Å; V33-L54 HydrophobicContact CG2-CD1 4.01Å; V33-W57 HydrophobicContact CG2-CB 3.87Å; V33-W57 HydrophobicContact CG2-CD2 3.9Å; V33-W57 HydrophobicContact CG2-CE3 4.33Å; V33-W57 HydrophobicContact CG2-CG 3.67Å; V33-F102 HydrophobicContact CB-CZ 4.31Å; V33-F102 HydrophobicContact CG2-CZ 4.32Å
34P96.5Very high93.2Very high68 Ų6892 Ų9244%0.44248%0.475SS..  trans-68.295.2-175.827.2-36000112.2D53P34-D53 HydrophobicContact CG-CB 3.86Å
35V96.7Very high93Very high71 Ų7187.6 Ų87.643%0.4346%0.455SS..  trans-83.8127.7175.9-176.90000110.4V33 F49 F102V33-V35 WeakPolarHBondContact O-CG2 3.4Å; V33-V35 PolarHBondContact O-N 2.88Å; V35-F49 HydrophobicContact CG2-CD1 4.07Å; V35-F102 HydrophobicContact CG2-CD2 4.32Å; V35-F102 HydrophobicContact CG2-CE2 4.02Å
36R94.4Very high92.9Very high116 Ų11683.4 Ų83.444%0.43843%0.434SS..EExtended strand (participates in β ladder)trans-134.6164-176.358.7-175.1173.8-143.8-4.1113.1V38 S47 V48 T50 D53R36-V38 HydrophobicContact CG-CG2 4.06Å; R36-S47 PolarHBondContact O-N 3.48Å; R36-V48 PolarHBondContact N-O 2.89Å; R36-V48 PolarHBondContact O-N 2.96Å; R36-T50 VanDerWaalsContact NH2-CG2 3.27Å; R36-D53 IonicContact NH2-OD2 3.58Å
37T95.3Very high92.7Very high69 Ų6986 Ų8642%0.42345%0.452SS..EExtended strand (participates in β ladder)trans-98.5115.3165.2-65.40000108.9K44 I45 P46T37-K44 HydrophobicContact CG2-CD 4.32Å; T37-K44 HydrophobicContact CG2-CG 3.74Å; T37-I45 CarbonylContact C-O 3.54Å; T37-I45 WeakPolarHBondContact CA-O 3.45Å; T37-P46 HydrophobicContact CG2-CB 4.48Å
38V93.7Very high92.8Very high38 Ų3882.2 Ų82.223%0.2343%0.432CS..EExtended strand (participates in β ladder)trans-90.2126.7179.9-178.10000109.2R36 K44 I45 V48 F99R36-V38 HydrophobicContact CG-CG2 4.06Å; V38-K44 WeakPolarHBondContact O-CA 3.33Å; V38-I45 PolarHBondContact N-O 3.34Å; V38-I45 PolarHBondContact O-N 2.88Å; V38-V48 HydrophobicContact CB-CG2 4.49Å; V38-V48 HydrophobicContact CG2-CG2 3.79Å; V38-F99 HydrophobicContact CB-CZ 4.38Å; V38-F99 HydrophobicContact CG1-CZ 4.03Å; V38-F99 HydrophobicContact CG2-CD1 4.49Å; V38-F99 HydrophobicContact CG2-CE1 3.76Å; V38-F99 HydrophobicContact CG2-CZ 3.93Å
39K92.4Very high92.9Very high159 Ų15977.6 Ų77.669%0.69141%0.411SS*.EExtended strand (participates in β ladder)trans-111127.6176.7-65.9178.5-175.9174.80109.1K44K39-K44 HydrophobicContact CG-CG 4.11Å
40S89.1Confident93.3Very high69 Ų6969.8 Ų69.848%0.48337%0.369SS..  trans-115.8178.6167.879.40000109.5I42 S43S40-I42 PolarHBondContact O-N 3.48Å; S40-I42 PolarHBondContact OG-N 3.49Å; S40-S43 PolarHBondContact N-O 3.4Å; S40-S43 PolarHBondContact OG-N 3.46Å; S40-S43 PolarHBondContact OG-O 3.13Å; S40-S43 PolarHBondContact OG-OG 3.31Å
41F86.9Confident93.6Very high211 Ų21164.2 Ų64.293%0.92534%0.335SS*.SBendtrans-61.1-30.6175.5-175-102.2000112.9
42I83.1Confident93.8Very high154 Ų15460.4 Ų60.479%0.7932%0.318SS*.SBendtrans-110.5-22.5-170.7-55.6176.1000111.9S40S40-I42 PolarHBondContact O-N 3.48Å; S40-I42 PolarHBondContact OG-N 3.49Å
43S84.5Confident93.9Very high54 Ų5461.2 Ų61.238%0.37832%0.319SS..  trans-140.4150.5-170.4660000113.3S40S40-S43 PolarHBondContact N-O 3.4Å; S40-S43 PolarHBondContact OG-N 3.46Å; S40-S43 PolarHBondContact OG-O 3.13Å; S40-S43 PolarHBondContact OG-OG 3.31Å
44K92.4Very high93.9Very high97 Ų9760.9 Ų60.942%0.42232%0.317SS..EExtended strand (participates in β ladder)trans-124.4111.7168.2177.8179.8177.5-167.90106.9T37 V38 K39 P46 L176T37-K44 HydrophobicContact CG2-CD 4.32Å; T37-K44 HydrophobicContact CG2-CG 3.74Å; V38-K44 WeakPolarHBondContact O-CA 3.33Å; K39-K44 HydrophobicContact CG-CG 4.11Å; K44-P46 WeakPolarHBondContact O-CD 3.4Å; K44-L176 HydrophobicContact CD-CD1 4.21Å
45I92.6Very high94Very high24 Ų2457.6 Ų57.612%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-106.8104.3-176.1-52.6177.4000108.1T37 V38 V48 I86T37-I45 CarbonylContact C-O 3.54Å; T37-I45 WeakPolarHBondContact CA-O 3.45Å; V38-I45 PolarHBondContact N-O 3.34Å; V38-I45 PolarHBondContact O-N 2.88Å; I45-V48 HydrophobicContact CG2-CG1 3.65Å; I45-V48 HydrophobicContact CG2-CG2 4.21Å; I45-I86 HydrophobicContact CD1-CD1 4.1Å; I45-I86 HydrophobicContact CG2-CD1 3.84Å
46P94.7Very high94Very high10 Ų1058.7 Ų58.77%0.06530%0.297CS..EExtended strand (participates in β ladder)trans-80.9151.1-177.133.1-35.6000112.2T37 K44 R101 L176 I180T37-P46 HydrophobicContact CG2-CB 4.48Å; K44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-R101 VanDerWaalsContact O-CZ 3.23Å; P46-R101 PolarHBondContact O-NH1 3.23Å; P46-R101 PolarHBondContact O-NH2 3.35Å; P46-L176 HydrophobicContact CG-CB 4.41Å; P46-L176 HydrophobicContact CG-CD2 4.38Å; P46-I180 HydrophobicContact CB-CD1 4.25Å; P46-I180 HydrophobicContact CG-CD1 3.82Å; P46-I180 HydrophobicContact CG-CG1 3.92Å
47S94.9Very high94.1Very high55 Ų5554 Ų5439%0.38528%0.279SS..EExtended strand (participates in β ladder)trans51.660.6169.4-44.20000114.6R36 R101R36-S47 PolarHBondContact O-N 3.48Å; S47-R101 PolarHBondContact O-NH1 3.44Å
48V97.1Very high94.2Very high0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-127.3155.3176.5-65.70000111.7R36 V38 I45 I86 F99 Y100R36-V48 PolarHBondContact N-O 2.89Å; R36-V48 PolarHBondContact O-N 2.96Å; V38-V48 HydrophobicContact CB-CG2 4.49Å; V38-V48 HydrophobicContact CG2-CG2 3.79Å; I45-V48 HydrophobicContact CG2-CG1 3.65Å; I45-V48 HydrophobicContact CG2-CG2 4.21Å; V48-I86 HydrophobicContact CG1-CD1 4.42Å; V48-I86 HydrophobicContact CG1-CG2 3.91Å; V48-F99 HydrophobicContact CB-CB 4.18Å; V48-F99 HydrophobicContact CB-CD1 4.27Å; V48-F99 HydrophobicContact CB-CG 4.46Å; V48-F99 HydrophobicContact CG1-CB 4.4Å; V48-F99 HydrophobicContact CG2-CB 4.48Å; V48-F99 HydrophobicContact CG2-CD1 3.88Å; V48-F99 HydrophobicContact CG2-CE1 4.43Å; V48-F99 HydrophobicContact CG2-CG 4.24Å; V48-Y100 VanDerWaalsContact CA-O 3.27Å; V48-Y100 WeakPolarHBondContact CA-O 3.25Å
49F98Very high94.4Very high0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-130.7163.3171.154.5-87.8000109.2V33 V35 L54 L83 F99 Y100 F102V33-F49 HydrophobicContact CG1-CB 3.69Å; V33-F49 HydrophobicContact CG1-CD1 4.49Å; V33-F49 HydrophobicContact CG1-CD2 3.77Å; V33-F49 HydrophobicContact CG1-CG 3.74Å; V35-F49 HydrophobicContact CG2-CD1 4.07Å; F49-L54 HydrophobicContact CD2-CB 4.05Å; F49-L54 HydrophobicContact CE2-CB 3.95Å; F49-L54 HydrophobicContact CE2-CD1 4.34Å; F49-L54 HydrophobicContact CE2-CD2 4.04Å; F49-L54 HydrophobicContact CE2-CG 4.33Å; F49-L83 HydrophobicContact CZ-CB 4.22Å; F49-L83 HydrophobicContact CZ-CD2 4.49Å; F49-F99 WeakPolarHBondContact O-CA 3.08Å; F49-Y100 WeakPolarHBondContact CD1-O 3.44Å; F49-Y100 HydrophobicContact CE2-CG 4.25Å; F49-Y100 PolarHBondContact N-O 2.95Å; F49-Y100 VanDerWaalsContact N-O 3.08Å; F49-Y100 PolarHBondContact O-N 2.66Å; F49-F102 HydrophobicContact CD1-CD2 4.06Å; F49-F102 AromaticContact CD1-CE2 3.78Å; F49-F102 HydrophobicContact CD1-CE2 3.78Å; F49-F102 HydrophobicContact CD1-CZ 4.35Å; F49-F102 HydrophobicContact CE1-CD1 4.21Å; F49-F102 AromaticContact CE1-CD2 3.43Å; F49-F102 HydrophobicContact CE1-CD2 3.43Å; F49-F102 VanDerWaalsContact CE1-CD2 3.43Å; F49-F102 HydrophobicContact CE1-CE1 4.14Å; F49-F102 AromaticContact CE1-CE2 3.35Å; F49-F102 HydrophobicContact CE1-CE2 3.35Å; F49-F102 AromaticContact CE1-CG 3.87Å; F49-F102 HydrophobicContact CE1-CG 3.87Å; F49-F102 AromaticContact CE1-CZ 3.71Å; F49-F102 HydrophobicContact CE1-CZ 3.71Å; F49-F102 HydrophobicContact CZ-CD1 4.25Å; F49-F102 HydrophobicContact CZ-CD2 4.22Å; F49-F102 AromaticContact CZ-CE1 3.98Å; F49-F102 HydrophobicContact CZ-CE1 3.98Å; F49-F102 AromaticContact CZ-CE2 3.96Å; F49-F102 HydrophobicContact CZ-CE2 3.96Å; F49-F102 HydrophobicContact CZ-CG 4.36Å; F49-F102 AromaticContact CZ-CZ 3.81Å; F49-F102 HydrophobicContact CZ-CZ 3.81Å
50T97.9Very high94.5Very high4 Ų451 Ų513%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-91.9158.3178.167.80000111.9R36 I52 D53 L54 T98 F99R36-T50 VanDerWaalsContact NH2-CG2 3.27Å; T50-I52 VanDerWaalsContact C-N 3.29Å; T50-I52 PolarHBondContact O-N 3.24Å; T50-D53 WeakPolarHBondContact CB-OD2 3.49Å; T50-D53 PolarHBondContact N-OD2 2.91Å; T50-D53 PolarHBondContact O-N 3.24Å; T50-D53 PolarHBondContact OG1-N 3.1Å; T50-D53 VanDerWaalsContact OG1-N 3.16Å; T50-D53 PolarHBondContact OG1-OD2 3.15Å; T50-L54 PolarHBondContact O-N 3.28Å; T50-L54 VanDerWaalsContact O-N 3.09Å; T50-T98 CarbonylContact C-O 3.58Å; T50-T98 WeakPolarHBondContact CA-O 3.13Å; T50-F99 HydrophobicContact CG2-CD1 4.06Å; T50-F99 HydrophobicContact CG2-CE1 3.84Å
51G97.9Very high94.8Very high0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-59.5-39.6172.900000112.7L54 V55 K94 D96 T98G51-L54 PolarHBondContact O-N 2.84Å; G51-V55 WeakPolarHBondContact O-CG2 3.37Å; G51-V55 PolarHBondContact O-N 3.41Å; G51-K94 VanDerWaalsContact CA-O 3.29Å; G51-K94 WeakPolarHBondContact CA-O 3.35Å; G51-D96 PolarHBondContact N-O 3.15Å; G51-T98 PolarHBondContact N-O 3.31Å
52I97.9Very high95.2Very high47 Ų4744.3 Ų44.324%0.24123%0.229CC..Hα-helixtrans-56.9-50.1172.3-70.8165.2000111.1T50 L54 V55 Q56 D96T50-I52 VanDerWaalsContact C-N 3.29Å; T50-I52 PolarHBondContact O-N 3.24Å; I52-L54 VanDerWaalsContact C-N 3.31Å; I52-L54 PolarHBondContact O-N 3.25Å; I52-V55 PolarHBondContact O-N 3.2Å; I52-Q56 HydrophobicContact CG2-CG 4.18Å; I52-Q56 VanDerWaalsContact O-CB 3.31Å; I52-Q56 WeakPolarHBondContact O-CB 3.3Å; I52-Q56 VanDerWaalsContact O-CG 3.27Å; I52-Q56 WeakPolarHBondContact O-CG 3.44Å; I52-Q56 PolarHBondContact O-N 3.41Å; I52-D96 WeakPolarHBondContact CG1-O 3.47Å; I52-D96 PolarHBondContact N-O 2.85Å
53D97.5Very high95.7Very high32 Ų3243.8 Ų43.817%0.17123%0.233CC..Hα-helixtrans-59.8-42.6-178.5-63.2-42.8000111.3V33 P34 R36 T50 W57V33-D53 HydrophobicContact CG1-CB 4.27Å; P34-D53 HydrophobicContact CG-CB 3.86Å; R36-D53 IonicContact NH2-OD2 3.58Å; T50-D53 WeakPolarHBondContact CB-OD2 3.49Å; T50-D53 PolarHBondContact N-OD2 2.91Å; T50-D53 PolarHBondContact O-N 3.24Å; T50-D53 PolarHBondContact OG1-N 3.1Å; T50-D53 VanDerWaalsContact OG1-N 3.16Å; T50-D53 PolarHBondContact OG1-OD2 3.15Å; D53-W57 WeakPolarHBondContact O-CB 3.23Å; D53-W57 PolarHBondContact O-N 3.13Å
54L98.1Very high96.1Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-63.4-51.4177.7174.765.5000112M26 V33 F49 T50 G51 I52 W57 I58 L83 V93M26-L54 HydrophobicContact CE-CD1 3.83Å; M26-L54 HydrophobicContact SD-CD1 3.96Å; V33-L54 HydrophobicContact CG2-CD1 4.01Å; F49-L54 HydrophobicContact CD2-CB 4.05Å; F49-L54 HydrophobicContact CE2-CB 3.95Å; F49-L54 HydrophobicContact CE2-CD1 4.34Å; F49-L54 HydrophobicContact CE2-CD2 4.04Å; F49-L54 HydrophobicContact CE2-CG 4.33Å; T50-L54 PolarHBondContact O-N 3.28Å; T50-L54 VanDerWaalsContact O-N 3.09Å; G51-L54 PolarHBondContact O-N 2.84Å; I52-L54 VanDerWaalsContact C-N 3.31Å; I52-L54 PolarHBondContact O-N 3.25Å; L54-W57 WeakPolarHBondContact O-CB 3.38Å; L54-W57 PolarHBondContact O-N 3.03Å; L54-I58 HydrophobicContact CD1-CD1 4.25Å; L54-I58 HydrophobicContact CD1-CG1 4.44Å; L54-I58 HydrophobicContact CG-CD1 4.42Å; L54-I58 WeakPolarHBondContact O-CG1 3.41Å; L54-I58 PolarHBondContact O-N 2.81Å; L54-L83 HydrophobicContact CD1-CD2 4.33Å; L54-L83 HydrophobicContact CD2-CD1 4.12Å; L54-L83 HydrophobicContact CD2-CD2 3.71Å; L54-V93 HydrophobicContact CD2-CG1 4.1Å; L54-V93 HydrophobicContact CD2-CG2 4.17Å
55V98Very high96.2Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-67.2-40.5-174.4178.70000110.4G51 I52 I58 N59 L67 A70 L71 V93 C95G51-V55 WeakPolarHBondContact O-CG2 3.37Å; G51-V55 PolarHBondContact O-N 3.41Å; I52-V55 PolarHBondContact O-N 3.2Å; V55-I58 PolarHBondContact O-N 3.21Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 PolarHBondContact O-N 3.09Å; V55-L67 HydrophobicContact CG1-CD1 3.57Å; V55-L67 HydrophobicContact CG1-CG 3.77Å; V55-A70 HydrophobicContact CG1-CB 4.05Å; V55-L71 HydrophobicContact CG1-CB 4.18Å; V55-L71 HydrophobicContact CG2-CB 4.45Å; V55-L71 HydrophobicContact CG2-CD1 3.83Å; V55-V93 HydrophobicContact CG2-CG1 4.22Å; V55-C95 HydrophobicContact CG2-CB 4.34Å
56Q97.1Very high96.2Very high94 Ų9447.8 Ų47.844%0.43926%0.255SS..Hα-helixtrans-63.5-41.8174.1-72.9-179.8-9.100111.8I52 I58 N59 Q60I52-Q56 HydrophobicContact CG2-CG 4.18Å; I52-Q56 VanDerWaalsContact O-CB 3.31Å; I52-Q56 WeakPolarHBondContact O-CB 3.3Å; I52-Q56 VanDerWaalsContact O-CG 3.27Å; I52-Q56 WeakPolarHBondContact O-CG 3.44Å; I52-Q56 PolarHBondContact O-N 3.41Å; Q56-I58 PolarHBondContact O-N 2.85Å; Q56-N59 PolarHBondContact O-N 3Å; Q56-Q60 VanDerWaalsContact O-CG 3.29Å; Q56-Q60 WeakPolarHBondContact O-CG 3.36Å; Q56-Q60 PolarHBondContact O-N 3.49Å; Q56-Q60 VanDerWaalsContact O-N 3.09Å
57W97.7Very high96.2Very high17 Ų1751 Ų516%0.06427%0.272CS..Hα-helixtrans-60.3-46176.5-173.294.2000111.5L22 L25 M26 E31 G32 V33 D53 L54 Q60 H61L22-W57 HydrophobicContact CD1-CH2 4.35Å; L22-W57 HydrophobicContact CD1-CZ3 3.98Å; L25-W57 HydrophobicContact CB-CH2 3.81Å; L25-W57 HydrophobicContact CB-CZ2 4.27Å; M26-W57 HydrophobicContact CB-CH2 4.43Å; M26-W57 HydrophobicContact CB-CZ3 4.44Å; M26-W57 HydrophobicContact CE-CE3 3.83Å; M26-W57 HydrophobicContact CE-CZ3 3.71Å; M26-W57 HydrophobicContact CG-CD2 4.27Å; M26-W57 HydrophobicContact CG-CE3 3.63Å; M26-W57 HydrophobicContact CG-CH2 3.66Å; M26-W57 HydrophobicContact CG-CZ2 4.28Å; M26-W57 HydrophobicContact CG-CZ3 3.3Å; M26-W57 HydrophobicContact SD-CZ3 4.42Å; E31-W57 PolarHBondContact O-NE1 3.05Å; G32-W57 VanDerWaalsContact C-NE1 3.27Å; G32-W57 PolarHBondContact O-NE1 3.1Å; V33-W57 HydrophobicContact CG2-CB 3.87Å; V33-W57 HydrophobicContact CG2-CD2 3.9Å; V33-W57 HydrophobicContact CG2-CE3 4.33Å; V33-W57 HydrophobicContact CG2-CG 3.67Å; D53-W57 WeakPolarHBondContact O-CB 3.23Å; D53-W57 PolarHBondContact O-N 3.13Å; L54-W57 WeakPolarHBondContact O-CB 3.38Å; L54-W57 PolarHBondContact O-N 3.03Å; W57-Q60 PolarHBondContact O-N 3.04Å; W57-H61 AromaticContact CD1-CE1 3.67Å; W57-H61 AromaticContact CD1-ND1 3.71Å; W57-H61 HydrophobicContact CD2-CB 4.42Å; W57-H61 AromaticContact CD2-ND1 3.73Å; W57-H61 AromaticContact CE2-CE1 3.97Å; W57-H61 AromaticContact CE2-CG 3.8Å; W57-H61 AromaticContact CE2-ND1 3.6Å; W57-H61 HydrophobicContact CE3-CB 4.33Å; W57-H61 AromaticContact CG-ND1 3.81Å; W57-H61 HydrophobicContact CH2-CB 3.99Å; W57-H61 HydrophobicContact CZ2-CB 4.09Å; W57-H61 AromaticContact CZ2-CG 3.89Å; W57-H61 HydrophobicContact CZ3-CB 4.1Å; W57-H61 AromaticContact NE1-CE1 3.48Å; W57-H61 PolarHBondContact NE1-CE1 3.42Å; W57-H61 AromaticContact NE1-ND1 3.56Å; W57-H61 AromaticContact NE1-NE2 3.97Å; W57-H61 PolarHBondContact O-N 2.77Å; W57-H61 PolarHBondContact O-ND1 2.79Å
58I97.7Very high96.3Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-60.3-48.9176.8-69.9-178.2000110.7M26 L54 V55 Q56 Q60 H61 V62 T64 A70 L73 S74 L77M26-I58 HydrophobicContact CE-CD1 3.48Å; M26-I58 VanDerWaalsContact CE-CD1 3.48Å; M26-I58 HydrophobicContact CE-CG1 3.33Å; L54-I58 HydrophobicContact CD1-CD1 4.25Å; L54-I58 HydrophobicContact CD1-CG1 4.44Å; L54-I58 HydrophobicContact CG-CD1 4.42Å; L54-I58 WeakPolarHBondContact O-CG1 3.41Å; L54-I58 PolarHBondContact O-N 2.81Å; V55-I58 PolarHBondContact O-N 3.21Å; Q56-I58 PolarHBondContact O-N 2.85Å; I58-Q60 PolarHBondContact O-N 3.02Å; I58-Q60 VanDerWaalsContact O-N 3.13Å; I58-H61 PolarHBondContact O-N 3.22Å; I58-V62 HydrophobicContact CG2-CB 4.11Å; I58-V62 HydrophobicContact CG2-CG2 4.14Å; I58-V62 WeakPolarHBondContact O-CA 3.34Å; I58-V62 WeakPolarHBondContact O-CB 3.45Å; I58-V62 PolarHBondContact O-N 3.38Å; I58-T64 HydrophobicContact CG2-CG2 4.3Å; I58-A70 HydrophobicContact CB-CB 4.23Å; I58-A70 HydrophobicContact CG2-CB 3.8Å; I58-L73 HydrophobicContact CD1-CG 4.39Å; I58-L73 HydrophobicContact CG2-CD2 3.88Å; I58-S74 WeakPolarHBondContact CD1-OG 3.46Å; I58-L77 HydrophobicContact CD1-CD1 4.29Å
59N96.7Very high96.3Very high64 Ų6457 Ų5734%0.34230%0.3SS..Hα-helixtrans-62-21.5-179.1-17180.4000113.3V55 Q56 T64 L67 A70V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 PolarHBondContact O-N 3.09Å; Q56-N59 PolarHBondContact O-N 3Å; N59-T64 PolarHBondContact OD1-OG1 2.81Å; N59-L67 HydrophobicContact CB-CD1 4.11Å; N59-A70 HydrophobicContact CB-CB 3.89Å
60Q95.6Very high96.3Very high140 Ų14057 Ų5765%0.65430%0.3SS*.Hα-helixtrans-91.2-31.5177.4-71.7172.88.400113.6Q56 W57 I58Q56-Q60 VanDerWaalsContact O-CG 3.29Å; Q56-Q60 WeakPolarHBondContact O-CG 3.36Å; Q56-Q60 PolarHBondContact O-N 3.49Å; Q56-Q60 VanDerWaalsContact O-N 3.09Å; W57-Q60 PolarHBondContact O-N 3.04Å; I58-Q60 PolarHBondContact O-N 3.02Å; I58-Q60 VanDerWaalsContact O-N 3.13Å
61H95.6Very high96.3Very high98 Ų9858.8 Ų58.845%0.45431%0.31SS..Hα-helixtrans-109.7-14.7-170.7-62.982.5000114W57 I58W57-H61 AromaticContact CD1-CE1 3.67Å; W57-H61 AromaticContact CD1-ND1 3.71Å; W57-H61 HydrophobicContact CD2-CB 4.42Å; W57-H61 AromaticContact CD2-ND1 3.73Å; W57-H61 AromaticContact CE2-CE1 3.97Å; W57-H61 AromaticContact CE2-CG 3.8Å; W57-H61 AromaticContact CE2-ND1 3.6Å; W57-H61 HydrophobicContact CE3-CB 4.33Å; W57-H61 AromaticContact CG-ND1 3.81Å; W57-H61 HydrophobicContact CH2-CB 3.99Å; W57-H61 HydrophobicContact CZ2-CB 4.09Å; W57-H61 AromaticContact CZ2-CG 3.89Å; W57-H61 HydrophobicContact CZ3-CB 4.1Å; W57-H61 AromaticContact NE1-CE1 3.48Å; W57-H61 PolarHBondContact NE1-CE1 3.42Å; W57-H61 AromaticContact NE1-ND1 3.56Å; W57-H61 AromaticContact NE1-NE2 3.97Å; W57-H61 PolarHBondContact O-N 2.77Å; W57-H61 PolarHBondContact O-ND1 2.79Å; I58-H61 PolarHBondContact O-N 3.22Å
62V94.6Very high96.3Very high41 Ų4164.3 Ų64.325%0.24834%0.335CS..SBendtrans-116.7137.8176.4-174.10000108L22 I58 T64 L73L22-V62 HydrophobicContact CD1-CG2 3.7Å; L22-V62 HydrophobicContact CD2-CG2 4.49Å; I58-V62 HydrophobicContact CG2-CB 4.11Å; I58-V62 HydrophobicContact CG2-CG2 4.14Å; I58-V62 WeakPolarHBondContact O-CA 3.34Å; I58-V62 WeakPolarHBondContact O-CB 3.45Å; I58-V62 PolarHBondContact O-N 3.38Å; V62-T64 HydrophobicContact CB-CG2 4.44Å; V62-T64 HydrophobicContact CG1-CG2 4.3Å; V62-T64 PolarHBondContact O-N 2.57Å; V62-L73 HydrophobicContact CG1-CD2 4.15Å
63T93.6Very high96.3Very high143 Ų14364.2 Ų64.288%0.87734%0.335SS*.  trans-67.3101.4173.3-51.30000109
64T93.4Very high96.3Very high24 Ų2462.7 Ų62.715%0.14733%0.327CS..  trans-121.6147.1172.9550000109.7I58 N59 V62 E69 A70I58-T64 HydrophobicContact CG2-CG2 4.3Å; N59-T64 PolarHBondContact OD1-OG1 2.81Å; V62-T64 HydrophobicContact CB-CG2 4.44Å; V62-T64 HydrophobicContact CG1-CG2 4.3Å; V62-T64 PolarHBondContact O-N 2.57Å; T64-E69 WeakPolarHBondContact CA-OE2 3.28Å; T64-E69 HydrophobicContact CG2-CB 4.48Å; T64-E69 HydrophobicContact CG2-CG 4.21Å; T64-A70 HydrophobicContact CG2-CB 4.24Å
65D92.7Very high96.3Very high157 Ų15764.6 Ų64.684%0.8434%0.336SS*.SBendtrans-69.5-40.2178.4-73-23.5000111.2E69D65-E69 PolarHBondContact N-OE2 2.89Å
66D93.5Very high96.2Very high77 Ų7767.8 Ų67.841%0.41235%0.351SS..SBendtrans-152.9179.617972.77.7000113T68 E69 A70D66-T68 PolarHBondContact O-N 3Å; D66-T68 VanDerWaalsContact OD1-CA 3.27Å; D66-T68 WeakPolarHBondContact OD1-CA 3.42Å; D66-T68 WeakPolarHBondContact OD1-CB 3.33Å; D66-T68 PolarHBondContact OD1-N 2.73Å; D66-T68 PolarHBondContact OD1-OG1 3.23Å; D66-T68 PolarHBondContact OD2-OG1 2.97Å; D66-T68 VanDerWaalsContact OD2-OG1 3.04Å; D66-E69 PolarHBondContact O-N 3.1Å; D66-E69 PolarHBondContact OD1-N 3.21Å; D66-A70 PolarHBondContact O-N 3.44Å
67L95.3Very high96.2Very high79 Ų7963.3 Ų63.341%0.41433%0.33SS..Hα-helixtrans-66-23.6177-159.773.2000112.5V55 N59 L71V55-L67 HydrophobicContact CG1-CD1 3.57Å; V55-L67 HydrophobicContact CG1-CG 3.77Å; N59-L67 HydrophobicContact CB-CD1 4.11Å; L67-L71 VanDerWaalsContact O-CB 3.25Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 3Å
68T96.5Very high96.2Very high96 Ų9662.5 Ų62.559%0.58933%0.327SS*.Hα-helixtrans-68.1-44177.9-430000110.3D66 L71 H72D66-T68 PolarHBondContact O-N 3Å; D66-T68 VanDerWaalsContact OD1-CA 3.27Å; D66-T68 WeakPolarHBondContact OD1-CA 3.42Å; D66-T68 WeakPolarHBondContact OD1-CB 3.33Å; D66-T68 PolarHBondContact OD1-N 2.73Å; D66-T68 PolarHBondContact OD1-OG1 3.23Å; D66-T68 PolarHBondContact OD2-OG1 2.97Å; D66-T68 VanDerWaalsContact OD2-OG1 3.04Å; T68-L71 PolarHBondContact O-N 3.1Å; T68-H72 WeakPolarHBondContact O-CB 3.43Å; T68-H72 PolarHBondContact O-N 3.32Å
69E97.4Very high96.1Very high83 Ų8363.8 Ų63.839%0.38834%0.336SS..Hα-helixtrans-65.6-42.9174.7-172.6-179.2-161.800111.2T64 D65 D66 L71 H72 L73T64-E69 WeakPolarHBondContact CA-OE2 3.28Å; T64-E69 HydrophobicContact CG2-CB 4.48Å; T64-E69 HydrophobicContact CG2-CG 4.21Å; D65-E69 PolarHBondContact N-OE2 2.89Å; D66-E69 PolarHBondContact O-N 3.1Å; D66-E69 PolarHBondContact OD1-N 3.21Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.36Å; E69-H72 WeakPolarHBondContact O-CB 3.5Å; E69-H72 PolarHBondContact O-N 3.18Å; E69-H72 VanDerWaalsContact O-N 3.16Å; E69-L73 PolarHBondContact O-N 2.92Å
70A97.7Very high96.1Very high0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-60.5-41.2174.800000112.3V55 I58 N59 T64 D66 L73 S74V55-A70 HydrophobicContact CG1-CB 4.05Å; I58-A70 HydrophobicContact CB-CB 4.23Å; I58-A70 HydrophobicContact CG2-CB 3.8Å; N59-A70 HydrophobicContact CB-CB 3.89Å; T64-A70 HydrophobicContact CG2-CB 4.24Å; D66-A70 PolarHBondContact O-N 3.44Å; A70-L73 PolarHBondContact O-N 3.42Å; A70-S74 PolarHBondContact O-N 3.46Å; A70-S74 PolarHBondContact O-OG 2.9Å
71L98Very high96.2Very high42 Ų4255.4 Ų55.422%0.2230%0.296CS..Hα-helixtrans-64.8-41.8173.8177.459.9000111.4V55 L67 T68 E69 S74 H75 V93 C95V55-L71 HydrophobicContact CG1-CB 4.18Å; V55-L71 HydrophobicContact CG2-CB 4.45Å; V55-L71 HydrophobicContact CG2-CD1 3.83Å; L67-L71 VanDerWaalsContact O-CB 3.25Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 3Å; T68-L71 PolarHBondContact O-N 3.1Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.36Å; L71-S74 WeakPolarHBondContact O-CB 3.39Å; L71-S74 PolarHBondContact O-N 3.27Å; L71-H75 PolarHBondContact O-N 3.47Å; L71-H75 PolarHBondContact O-ND1 3.36Å; L71-V93 HydrophobicContact CD1-CB 4.48Å; L71-V93 HydrophobicContact CD1-CG1 4.23Å; L71-V93 VanDerWaalsContact CD1-O 3.31Å; L71-V93 WeakPolarHBondContact CD1-O 3.39Å; L71-C95 HydrophobicContact CD1-CB 4.12Å; L71-C95 HydrophobicContact CD2-CB 4.32Å
72H97.3Very high96.3Very high116 Ų11650.7 Ų50.754%0.53727%0.274SS..Hα-helixtrans-62.5-44.6176.3-17668.5000111.6T68 E69 S74 H75 M76T68-H72 WeakPolarHBondContact O-CB 3.43Å; T68-H72 PolarHBondContact O-N 3.32Å; E69-H72 WeakPolarHBondContact O-CB 3.5Å; E69-H72 PolarHBondContact O-N 3.18Å; E69-H72 VanDerWaalsContact O-N 3.16Å; H72-S74 VanDerWaalsContact C-N 3.29Å; H72-S74 PolarHBondContact O-N 3.46Å; H72-H75 WeakPolarHBondContact O-CB 3.36Å; H72-H75 PolarHBondContact O-N 3.38Å; H72-H75 VanDerWaalsContact O-N 3.16Å; H72-M76 WeakPolarHBondContact O-CG 3.5Å; H72-M76 PolarHBondContact O-N 3.27Å
73L97.4Very high96.5Very high46 Ų4648.8 Ų48.824%0.24126%0.262CS..Hα-helixtrans-61.2-39.1174.6-178.657.3000111.8L22 I58 V62 E69 A70 H75 M76 L77L22-L73 HydrophobicContact CD2-CD2 3.96Å; L22-L73 HydrophobicContact CD2-CG 4.42Å; I58-L73 HydrophobicContact CD1-CG 4.39Å; I58-L73 HydrophobicContact CG2-CD2 3.88Å; V62-L73 HydrophobicContact CG1-CD2 4.15Å; E69-L73 PolarHBondContact O-N 2.92Å; A70-L73 PolarHBondContact O-N 3.42Å; L73-H75 PolarHBondContact O-N 3.21Å; L73-M76 PolarHBondContact O-N 3.26Å; L73-M76 VanDerWaalsContact O-N 3.17Å; L73-L77 WeakPolarHBondContact O-CG 3.37Å; L73-L77 PolarHBondContact O-N 3.26Å
74S98Very high96.7Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-59.3-45.6173.6-55.90000111.8I58 A70 L71 H72 M76 L77 A78 V93I58-S74 WeakPolarHBondContact CD1-OG 3.46Å; A70-S74 PolarHBondContact O-N 3.46Å; A70-S74 PolarHBondContact O-OG 2.9Å; L71-S74 WeakPolarHBondContact O-CB 3.39Å; L71-S74 PolarHBondContact O-N 3.27Å; H72-S74 VanDerWaalsContact C-N 3.29Å; H72-S74 PolarHBondContact O-N 3.46Å; S74-M76 VanDerWaalsContact C-N 3.32Å; S74-M76 PolarHBondContact O-N 3.45Å; S74-L77 PolarHBondContact O-N 3.11Å; S74-A78 PolarHBondContact O-N 3.06Å; S74-V93 WeakPolarHBondContact O-CG2 3.33Å
75H97.3Very high96.9Very high40 Ų4040.9 Ų40.919%0.18521%0.214CC..Hα-helixtrans-60.6-39.5173.6-75.997.7000112.4L71 H72 L73 A78 S79 M92 V93L71-H75 PolarHBondContact O-N 3.47Å; L71-H75 PolarHBondContact O-ND1 3.36Å; H72-H75 WeakPolarHBondContact O-CB 3.36Å; H72-H75 PolarHBondContact O-N 3.38Å; H72-H75 VanDerWaalsContact O-N 3.16Å; L73-H75 PolarHBondContact O-N 3.21Å; H75-A78 PolarHBondContact O-N 3.48Å; H75-S79 WeakPolarHBondContact O-CB 3.39Å; H75-S79 PolarHBondContact O-N 3.37Å; H75-S79 PolarHBondContact O-OG 2.88Å; H75-M92 WeakPolarHBondContact NE2-CE 3.49Å; H75-V93 PolarHBondContact CD2-N 2.94Å; H75-V93 VanDerWaalsContact CD2-N 3.28Å; H75-V93 PolarHBondContact CE1-O 3.34Å; H75-V93 PolarHBondContact NE2-O 2.97Å
76M96.8Very high97Very high66 Ų6634.4 Ų34.433%0.32518%0.179SC..Hα-helixtrans-65-39.1178-68.9-57.9-67.500111.8M19 H72 L73 S74 S79 H80M19-M76 HydrophobicContact CE-CB 4.36Å; H72-M76 WeakPolarHBondContact O-CG 3.5Å; H72-M76 PolarHBondContact O-N 3.27Å; L73-M76 PolarHBondContact O-N 3.26Å; L73-M76 VanDerWaalsContact O-N 3.17Å; S74-M76 VanDerWaalsContact C-N 3.32Å; S74-M76 PolarHBondContact O-N 3.45Å; M76-S79 WeakPolarHBondContact CA-OG 3.49Å; M76-S79 PolarHBondContact O-OG 3.28Å; M76-H80 WeakPolarHBondContact O-CB 3.37Å; M76-H80 PolarHBondContact O-N 2.99Å; M76-H80 PolarHBondContact O-ND1 3.35Å
77L97.7Very high96.8Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-65-42.3173.8-68.3171000112.1M19 L22 V23 M26 I58 L73 S74 H80 G81 Y82 L83M19-L77 HydrophobicContact CB-CD2 3.83Å; M19-L77 HydrophobicContact CG-CD2 3.94Å; L22-L77 HydrophobicContact CD2-CD1 4.11Å; V23-L77 HydrophobicContact CG2-CD2 4.12Å; M26-L77 HydrophobicContact CE-CD1 3.63Å; M26-L77 HydrophobicContact SD-CD1 4.03Å; I58-L77 HydrophobicContact CD1-CD1 4.29Å; L73-L77 WeakPolarHBondContact O-CG 3.37Å; L73-L77 PolarHBondContact O-N 3.26Å; S74-L77 PolarHBondContact O-N 3.11Å; L77-H80 PolarHBondContact O-N 2.71Å; L77-G81 PolarHBondContact O-N 2.83Å; L77-Y82 HydrophobicContact CD2-CD2 4.35Å; L77-Y82 PolarHBondContact O-N 3.32Å; L77-Y82 VanDerWaalsContact O-N 3.11Å; L77-L83 HydrophobicContact CB-CD2 4Å; L77-L83 HydrophobicContact CB-CG 4.5Å
78A97.6Very high96.7Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-65.5-49.7178.300000112.2S74 H75 H80 G81 L83 V93S74-A78 PolarHBondContact O-N 3.06Å; H75-A78 PolarHBondContact O-N 3.48Å; A78-H80 PolarHBondContact O-N 2.86Å; A78-H80 VanDerWaalsContact O-N 3.08Å; A78-G81 WeakPolarHBondContact O-CA 3.23Å; A78-G81 PolarHBondContact O-N 3.43Å; A78-L83 VanDerWaalsContact CA-O 3.3Å; A78-L83 WeakPolarHBondContact CA-O 3.36Å; A78-L83 HydrophobicContact CB-CD1 3.69Å; A78-L83 HydrophobicContact CB-CG 4.26Å; A78-V93 HydrophobicContact CB-CG2 3.73Å
79S96.2Very high96.6Very high27 Ų2732.9 Ų32.919%0.18917%0.167CC..Hα-helixtrans-61.8-19179.763.70000113.7H75 M76 L91 L191 T201H75-S79 WeakPolarHBondContact O-CB 3.39Å; H75-S79 PolarHBondContact O-N 3.37Å; H75-S79 PolarHBondContact O-OG 2.88Å; M76-S79 WeakPolarHBondContact CA-OG 3.49Å; M76-S79 PolarHBondContact O-OG 3.28Å; S79-L91 PolarHBondContact N-O 2.94Å; S79-L191 VanDerWaalsContact O-CD1 3.28Å; S79-L191 WeakPolarHBondContact O-CD1 3.45Å; S79-T201 WeakPolarHBondContact O-CB 3.39Å; S79-T201 VanDerWaalsContact O-CG2 3.32Å; S79-T201 WeakPolarHBondContact O-CG2 3.46Å; S79-T201 PolarHBondContact O-OG1 3.3Å
80H96Very high96.5Very high26 Ų2632 Ų3212%0.1216%0.164CC..THydrogen-bonded Turntrans-97.26.9174.7-70.654.9000113.1Y16 M19 M76 L77 A78 Y82Y16-H80 AromaticContact CE1-CD2 3.74Å; M19-H80 HydrophobicContact SD-CB 4.12Å; M76-H80 WeakPolarHBondContact O-CB 3.37Å; M76-H80 PolarHBondContact O-N 2.99Å; M76-H80 PolarHBondContact O-ND1 3.35Å; L77-H80 PolarHBondContact O-N 2.71Å; A78-H80 PolarHBondContact O-N 2.86Å; A78-H80 VanDerWaalsContact O-N 3.08Å; H80-Y82 HydrophobicContact CB-CD2 3.87Å; H80-Y82 HydrophobicContact CB-CE2 3.78Å
81G96.7Very high96.5Very high2 Ų232.8 Ų32.82%0.02117%0.169CC..THydrogen-bonded Turntrans77.718.4172.900000115.4L77 A78 Q103L77-G81 PolarHBondContact O-N 2.83Å; A78-G81 WeakPolarHBondContact O-CA 3.23Å; A78-G81 PolarHBondContact O-N 3.43Å; G81-Q103 WeakPolarHBondContact O-CB 3.46Å; G81-Q103 WeakPolarHBondContact O-CG 3.41Å
82Y98.1Very high96.4Very high0 Ų034.9 Ų34.90%018%0.178CC..SBendtrans-81.5-23.9176.6-67.8-73.7000113.5Y16 M19 E20 V23 L77 H80 Q103 W108Y16-Y82 WeakPolarHBondContact CB-OH 3.28Å; M19-Y82 HydrophobicContact CB-CD2 4.11Å; M19-Y82 HydrophobicContact CB-CE2 3.62Å; M19-Y82 HydrophobicContact CG-CE2 4.26Å; M19-Y82 HydrophobicContact SD-CD2 4.3Å; M19-Y82 HydrophobicContact SD-CE2 3.68Å; E20-Y82 HydrophobicContact CG-CD1 4.4Å; E20-Y82 HydrophobicContact CG-CE1 3.44Å; E20-Y82 VanDerWaalsContact CG-CE1 3.44Å; V23-Y82 HydrophobicContact CG2-CD1 4.22Å; V23-Y82 HydrophobicContact CG2-CG 4.05Å; L77-Y82 HydrophobicContact CD2-CD2 4.35Å; L77-Y82 PolarHBondContact O-N 3.32Å; L77-Y82 VanDerWaalsContact O-N 3.11Å; H80-Y82 HydrophobicContact CB-CD2 3.87Å; H80-Y82 HydrophobicContact CB-CE2 3.78Å; Y82-Q103 WeakPolarHBondContact O-CB 3.33Å; Y82-Q103 PolarHBondContact O-N 3.08Å; Y82-W108 AromaticContact CD1-CD1 3.83Å; Y82-W108 AromaticContact CD1-CD2 3.96Å; Y82-W108 HydrophobicContact CD1-CD2 3.96Å; Y82-W108 AromaticContact CD1-CE2 3.88Å; Y82-W108 AromaticContact CD1-CG 3.91Å; Y82-W108 HydrophobicContact CD1-CG 3.91Å; Y82-W108 AromaticContact CD1-NE1 3.82Å; Y82-W108 HydrophobicContact CE1-CB 4.04Å; Y82-W108 AromaticContact CE1-CD2 3.76Å; Y82-W108 HydrophobicContact CE1-CD2 3.76Å; Y82-W108 HydrophobicContact CE1-CE3 4.2Å; Y82-W108 AromaticContact CE1-CG 3.71Å; Y82-W108 HydrophobicContact CE1-CG 3.71Å
83L98.3Very high96.4Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-149.9160.6173.964.392.4000109.1F49 L54 L77 A78 V93 Y100 R101 F102F49-L83 HydrophobicContact CZ-CB 4.22Å; F49-L83 HydrophobicContact CZ-CD2 4.49Å; L54-L83 HydrophobicContact CD1-CD2 4.33Å; L54-L83 HydrophobicContact CD2-CD1 4.12Å; L54-L83 HydrophobicContact CD2-CD2 3.71Å; L77-L83 HydrophobicContact CB-CD2 4Å; L77-L83 HydrophobicContact CB-CG 4.5Å; A78-L83 VanDerWaalsContact CA-O 3.3Å; A78-L83 WeakPolarHBondContact CA-O 3.36Å; A78-L83 HydrophobicContact CB-CD1 3.69Å; A78-L83 HydrophobicContact CB-CG 4.26Å; L83-V93 HydrophobicContact CD1-CG2 3.74Å; L83-Y100 HydrophobicContact CD1-CD1 3.91Å; L83-Y100 HydrophobicContact CD1-CG 4.49Å; L83-R101 CarbonylContact C-O 3.55Å; L83-R101 WeakPolarHBondContact CA-O 3.49Å; L83-R101 WeakPolarHBondContact CB-O 3.33Å; L83-F102 HydrophobicContact CB-CD1 4.12Å; L83-F102 HydrophobicContact CD2-CE1 4.31Å
84F98.2Very high96.4Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-153.7149.1-174.951.8-92.1000111.7L91 Y100 R101 Q103 S183 Q184 A187F84-L91 HydrophobicContact CB-CD2 3.7Å; F84-Y100 VanDerWaalsContact O-CA 3.3Å; F84-Y100 WeakPolarHBondContact O-CA 3.19Å; F84-R101 HydrophobicContact CD2-CB 4.43Å; F84-R101 HydrophobicContact CE2-CB 3.9Å; F84-R101 HydrophobicContact CZ-CB 3.96Å; F84-R101 HydrophobicContact CZ-CG 4.17Å; F84-R101 PolarHBondContact N-O 2.63Å; F84-R101 PolarHBondContact O-N 2.97Å; F84-Q103 HydrophobicContact CD1-CB 4.21Å; F84-Q103 HydrophobicContact CE1-CB 4.01Å; F84-S183 WeakPolarHBondContact CE2-O 3.22Å; F84-Q184 HydrophobicContact CE1-CG 4.18Å; F84-Q184 HydrophobicContact CZ-CB 4.33Å; F84-Q184 HydrophobicContact CZ-CG 3.75Å; F84-A187 HydrophobicContact CB-CB 3.64Å; F84-A187 HydrophobicContact CD1-CB 3.24Å; F84-A187 HydrophobicContact CD2-CB 3.63Å; F84-A187 HydrophobicContact CE1-CB 3.64Å; F84-A187 HydrophobicContact CE2-CB 4Å; F84-A187 HydrophobicContact CG-CB 3.21Å; F84-A187 HydrophobicContact CZ-CB 4Å
85P97.4Very high96.3Very high2 Ų234.4 Ų34.41%0.01318%0.179CC..EExtended strand (participates in β ladder)trans-67.4141.1170.726.9-30.7000110.3D88 L90 T98 Y100 R186P85-D88 HydrophobicContact CB-CB 4.07Å; P85-D88 HydrophobicContact CG-CB 3.9Å; P85-L90 VanDerWaalsContact CG-O 3.29Å; P85-L90 WeakPolarHBondContact CG-O 3.49Å; P85-T98 HydrophobicContact CB-CG2 4.47Å; P85-Y100 HydrophobicContact CB-CD1 4.09Å; P85-Y100 HydrophobicContact CB-CE1 3.66Å; P85-Y100 HydrophobicContact CG-CE1 4.2Å; P85-R186 PolarHBondContact O-NH2 3.5Å
86I94.6Very high96.3Very high20 Ų2035.5 Ų35.510%0.10319%0.186CC..THydrogen-bonded Turntrans-74.8-27.8-175.361.6167.6000113.6I45 V48 F99 R101 R186I45-I86 HydrophobicContact CD1-CD1 4.1Å; I45-I86 HydrophobicContact CG2-CD1 3.84Å; V48-I86 HydrophobicContact CG1-CD1 4.42Å; V48-I86 HydrophobicContact CG1-CG2 3.91Å; I86-F99 HydrophobicContact CD1-CB 3.47Å; I86-F99 VanDerWaalsContact CD1-CB 3.47Å; I86-F99 HydrophobicContact CD1-CD2 4.13Å; I86-F99 HydrophobicContact CD1-CG 4.2Å; I86-F99 HydrophobicContact CG1-CB 3.75Å; I86-F99 PolarHBondContact N-O 3.37Å; I86-R101 HydrophobicContact CG2-CB 4.18Å; I86-R186 VanDerWaalsContact C-NH2 3.26Å; I86-R186 PolarHBondContact O-NH2 3.04Å
87D90Very high96.3Very high140 Ų14037.9 Ų37.975%0.74920%0.2SC*.THydrogen-bonded Turntrans-12017.4-169.8-60.1-34.9000112.8
88D93.1Very high96.2Very high60 Ų6040 Ų4032%0.32121%0.213SC..  trans-141.8144.8-179.2-162-22.9000110P85 L90 K94 R186P85-D88 HydrophobicContact CB-CB 4.07Å; P85-D88 HydrophobicContact CG-CB 3.9Å; D88-L90 PolarHBondContact OD1-N 3.35Å; D88-K94 IonicContact OD2-NZ 3.04Å; D88-R186 PolarHBondContact O-NH1 3.42Å
89H95Very high96.3Very high20 Ų2042.4 Ų42.49%0.09322%0.223CC..SBendtrans-84.8-16.9175.2-82-84.5000112.5L91 E138 F140 E141 D190 V195H89-L91 PolarHBondContact O-N 2.91Å; H89-E138 VanDerWaalsContact CD2-CG 3.48Å; H89-E138 WeakPolarHBondContact CD2-CG 3.35Å; H89-F140 HydrophobicContact CB-CE1 4.5Å; H89-F140 HydrophobicContact CB-CZ 4.43Å; H89-E141 IonicContact CE1-OE1 2.75Å; H89-E141 IonicContact CE1-OE2 3.58Å; H89-E141 IonicContact NE2-OE2 3.75Å; H89-D190 IonicContact CE1-OD1 3.05Å; H89-D190 IonicContact CG-OD1 2.84Å; H89-D190 IonicContact ND1-OD1 3.78Å; H89-D190 PolarHBondContact ND1-OD1 2.82Å; H89-D190 IonicContact ND1-OD2 3.72Å; H89-V195 HydrophobicContact CB-CG2 3.63Å
90L95.6Very high96.4Very high64 Ų6441.1 Ų41.134%0.33522%0.215SC..SBendtrans-81.7116.1177.3-17261.6000110.6P85 D88 M92 A198P85-L90 VanDerWaalsContact CG-O 3.29Å; P85-L90 WeakPolarHBondContact CG-O 3.49Å; D88-L90 PolarHBondContact OD1-N 3.35Å; L90-M92 HydrophobicContact CD1-CG 4.38Å; L90-M92 HydrophobicContact CD1-SD 4.25Å; L90-M92 HydrophobicContact CD2-CG 4.16Å; L90-M92 HydrophobicContact CD2-SD 3.5Å; L90-M92 WeakPolarHBondContact CD2-SD 3.35Å; L90-M92 HydrophobicContact CG-CB 4.25Å; L90-M92 HydrophobicContact CG-CG 3.82Å; L90-M92 HydrophobicContact CG-SD 3.79Å; L90-M92 PolarHBondContact O-N 2.98Å; L90-A198 HydrophobicContact CD1-CB 3.96Å
91L96.9Very high96.5Very high17 Ų1740.3 Ų40.39%0.08921%0.21CC..  trans-73.666.4-179.8-62.9-178.2000112.7S79 F84 H89 D190 L191S79-L91 PolarHBondContact N-O 2.94Å; F84-L91 HydrophobicContact CB-CD2 3.7Å; H89-L91 PolarHBondContact O-N 2.91Å; L91-D190 HydrophobicContact CD1-CB 4.19Å; L91-D190 HydrophobicContact CD2-CB 4.06Å; L91-D190 HydrophobicContact CG-CB 4Å; L91-L191 HydrophobicContact CD1-CB 3.98Å; L91-L191 HydrophobicContact CD1-CD1 4.5Å
92M96.2Very high96.5Very high87 Ų8741.2 Ų41.243%0.42921%0.214SC..  trans-131.2149.4-178.3-73.2-174.265.800112.3H75 L90 Y100H75-M92 WeakPolarHBondContact NE2-CE 3.49Å; L90-M92 HydrophobicContact CD1-CG 4.38Å; L90-M92 HydrophobicContact CD1-SD 4.25Å; L90-M92 HydrophobicContact CD2-CG 4.16Å; L90-M92 HydrophobicContact CD2-SD 3.5Å; L90-M92 WeakPolarHBondContact CD2-SD 3.35Å; L90-M92 HydrophobicContact CG-CB 4.25Å; L90-M92 HydrophobicContact CG-CG 3.82Å; L90-M92 HydrophobicContact CG-SD 3.79Å; L90-M92 PolarHBondContact O-N 2.98Å; M92-Y100 VanDerWaalsContact O-CE1 3.29Å; M92-Y100 WeakPolarHBondContact O-CE1 3.46Å; M92-Y100 PolarHBondContact O-OH 3.32Å; M92-Y100 VanDerWaalsContact O-OH 3.09Å
93V97.6Very high96.5Very high0 Ų041.5 Ų41.50%022%0.215CC..  trans-104.4124.9-179.4179.80000110.7L54 V55 L71 S74 H75 A78 L83 Y100L54-V93 HydrophobicContact CD2-CG1 4.1Å; L54-V93 HydrophobicContact CD2-CG2 4.17Å; V55-V93 HydrophobicContact CG2-CG1 4.22Å; L71-V93 HydrophobicContact CD1-CB 4.48Å; L71-V93 HydrophobicContact CD1-CG1 4.23Å; L71-V93 VanDerWaalsContact CD1-O 3.31Å; L71-V93 WeakPolarHBondContact CD1-O 3.39Å; S74-V93 WeakPolarHBondContact O-CG2 3.33Å; H75-V93 PolarHBondContact CD2-N 2.94Å; H75-V93 VanDerWaalsContact CD2-N 3.28Å; H75-V93 PolarHBondContact CE1-O 3.34Å; H75-V93 PolarHBondContact NE2-O 2.97Å; A78-V93 HydrophobicContact CB-CG2 3.73Å; L83-V93 HydrophobicContact CD1-CG2 3.74Å; V93-Y100 VanDerWaalsContact CA-OH 3.31Å; V93-Y100 WeakPolarHBondContact CA-OH 3.5Å; V93-Y100 HydrophobicContact CB-CE1 4.41Å; V93-Y100 HydrophobicContact CG1-CE2 4.33Å; V93-Y100 HydrophobicContact CG2-CD1 4.44Å; V93-Y100 HydrophobicContact CG2-CE1 4.05Å
94K96.7Very high96.5Very high100 Ų10043.5 Ų43.544%0.43523%0.227SC..  trans-99.1138.5171.2-64171-174.7163.80108.4G51 D88 D96 Y100G51-K94 VanDerWaalsContact CA-O 3.29Å; G51-K94 WeakPolarHBondContact CA-O 3.35Å; D88-K94 IonicContact OD2-NZ 3.04Å; K94-D96 WeakPolarHBondContact CB-OD1 3.34Å; K94-D96 PolarHBondContact O-N 2.95Å; K94-Y100 PolarHBondContact N-OH 3.48Å
95C96.4Very high96.4Very high51 Ų5147 Ų4735%0.34525%0.25SS..SBendtrans-80.757175-169.30000110.8V55 L71V55-C95 HydrophobicContact CG2-CB 4.34Å; L71-C95 HydrophobicContact CD1-CB 4.12Å; L71-C95 HydrophobicContact CD2-CB 4.32Å
96D96.7Very high96.3Very high63 Ų6353.6 Ų53.634%0.33728%0.276SS..SBendtrans-138.9-164-179.46517.8000111.2G51 I52 K94 T98G51-D96 PolarHBondContact N-O 3.15Å; I52-D96 WeakPolarHBondContact CG1-O 3.47Å; I52-D96 PolarHBondContact N-O 2.85Å; K94-D96 WeakPolarHBondContact CB-OD1 3.34Å; K94-D96 PolarHBondContact O-N 2.95Å; D96-T98 PolarHBondContact O-N 2.94Å; D96-T98 WeakPolarHBondContact OD1-CB 3.43Å; D96-T98 PolarHBondContact OD1-N 2.96Å; D96-T98 PolarHBondContact OD1-OG1 3.33Å; D96-T98 PolarHBondContact OD2-OG1 3.39Å
97N96.8Very high96.4Very high117 Ų11754.2 Ų54.263%0.62628%0.278SS*.SBendtrans-81.110.8179.9-67.9-45.6000113.9F99N97-F99 PolarHBondContact O-N 3.49Å
98T97.2Very high96.6Very high44 Ų4448.4 Ų48.427%0.2725%0.245SC..  trans-58.5137173.9-59.50000109.8T50 G51 P85 D96 Y100T50-T98 CarbonylContact C-O 3.58Å; T50-T98 WeakPolarHBondContact CA-O 3.13Å; G51-T98 PolarHBondContact N-O 3.31Å; P85-T98 HydrophobicContact CB-CG2 4.47Å; D96-T98 PolarHBondContact O-N 2.94Å; D96-T98 WeakPolarHBondContact OD1-CB 3.43Å; D96-T98 PolarHBondContact OD1-N 2.96Å; D96-T98 PolarHBondContact OD1-OG1 3.33Å; D96-T98 PolarHBondContact OD2-OG1 3.39Å; T98-Y100 HydrophobicContact CG2-CE2 3.8Å; T98-Y100 VanDerWaalsContact O-CD2 3.23Å; T98-Y100 WeakPolarHBondContact O-CD2 3.37Å; T98-Y100 WeakPolarHBondContact O-CE2 3.29Å
99F97.7Very high96.5Very high50 Ų5045.9 Ų45.922%0.21923%0.233CC..EExtended strand (participates in β ladder)trans-88.9135-178.2-66.7-57.6000112V38 V48 F49 T50 I86 N97V38-F99 HydrophobicContact CB-CZ 4.38Å; V38-F99 HydrophobicContact CG1-CZ 4.03Å; V38-F99 HydrophobicContact CG2-CD1 4.49Å; V38-F99 HydrophobicContact CG2-CE1 3.76Å; V38-F99 HydrophobicContact CG2-CZ 3.93Å; V48-F99 HydrophobicContact CB-CB 4.18Å; V48-F99 HydrophobicContact CB-CD1 4.27Å; V48-F99 HydrophobicContact CB-CG 4.46Å; V48-F99 HydrophobicContact CG1-CB 4.4Å; V48-F99 HydrophobicContact CG2-CB 4.48Å; V48-F99 HydrophobicContact CG2-CD1 3.88Å; V48-F99 HydrophobicContact CG2-CE1 4.43Å; V48-F99 HydrophobicContact CG2-CG 4.24Å; F49-F99 WeakPolarHBondContact O-CA 3.08Å; T50-F99 HydrophobicContact CG2-CD1 4.06Å; T50-F99 HydrophobicContact CG2-CE1 3.84Å; I86-F99 HydrophobicContact CD1-CB 3.47Å; I86-F99 VanDerWaalsContact CD1-CB 3.47Å; I86-F99 HydrophobicContact CD1-CD2 4.13Å; I86-F99 HydrophobicContact CD1-CG 4.2Å; I86-F99 HydrophobicContact CG1-CB 3.75Å; I86-F99 PolarHBondContact N-O 3.37Å; N97-F99 PolarHBondContact O-N 3.49Å
100Y98.4Very high96.3Very high1 Ų146.4 Ų46.40%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-123.1157.4178.8-66.3-88.8000110.6V48 F49 L83 F84 P85 M92 V93 K94 T98V48-Y100 VanDerWaalsContact CA-O 3.27Å; V48-Y100 WeakPolarHBondContact CA-O 3.25Å; F49-Y100 WeakPolarHBondContact CD1-O 3.44Å; F49-Y100 HydrophobicContact CE2-CG 4.25Å; F49-Y100 PolarHBondContact N-O 2.95Å; F49-Y100 VanDerWaalsContact N-O 3.08Å; F49-Y100 PolarHBondContact O-N 2.66Å; L83-Y100 HydrophobicContact CD1-CD1 3.91Å; L83-Y100 HydrophobicContact CD1-CG 4.49Å; F84-Y100 VanDerWaalsContact O-CA 3.3Å; F84-Y100 WeakPolarHBondContact O-CA 3.19Å; P85-Y100 HydrophobicContact CB-CD1 4.09Å; P85-Y100 HydrophobicContact CB-CE1 3.66Å; P85-Y100 HydrophobicContact CG-CE1 4.2Å; M92-Y100 VanDerWaalsContact O-CE1 3.29Å; M92-Y100 WeakPolarHBondContact O-CE1 3.46Å; M92-Y100 PolarHBondContact O-OH 3.32Å; M92-Y100 VanDerWaalsContact O-OH 3.09Å; V93-Y100 VanDerWaalsContact CA-OH 3.31Å; V93-Y100 WeakPolarHBondContact CA-OH 3.5Å; V93-Y100 HydrophobicContact CB-CE1 4.41Å; V93-Y100 HydrophobicContact CG1-CE2 4.33Å; V93-Y100 HydrophobicContact CG2-CD1 4.44Å; V93-Y100 HydrophobicContact CG2-CE1 4.05Å; K94-Y100 PolarHBondContact N-OH 3.48Å; T98-Y100 HydrophobicContact CG2-CE2 3.8Å; T98-Y100 VanDerWaalsContact O-CD2 3.23Å; T98-Y100 WeakPolarHBondContact O-CD2 3.37Å; T98-Y100 WeakPolarHBondContact O-CE2 3.29Å
101R98Very high96Very high9 Ų947.2 Ų47.23%0.03424%0.244CC..EExtended strand (participates in β ladder)trans-132.5144.2174.8-169.6-170.9-64.6-77.2-6.4109.6P46 S47 L83 F84 I86 I180 S183P46-R101 VanDerWaalsContact O-CZ 3.23Å; P46-R101 PolarHBondContact O-NH1 3.23Å; P46-R101 PolarHBondContact O-NH2 3.35Å; S47-R101 PolarHBondContact O-NH1 3.44Å; L83-R101 CarbonylContact C-O 3.55Å; L83-R101 WeakPolarHBondContact CA-O 3.49Å; L83-R101 WeakPolarHBondContact CB-O 3.33Å; F84-R101 HydrophobicContact CD2-CB 4.43Å; F84-R101 HydrophobicContact CE2-CB 3.9Å; F84-R101 HydrophobicContact CZ-CB 3.96Å; F84-R101 HydrophobicContact CZ-CG 4.17Å; F84-R101 PolarHBondContact N-O 2.63Å; F84-R101 PolarHBondContact O-N 2.97Å; I86-R101 HydrophobicContact CG2-CB 4.18Å; R101-I180 VanDerWaalsContact NH1-CG1 3.33Å; R101-S183 PolarHBondContact NE-OG 3.1Å
102F98.3Very high95.3Very high20 Ų2048.8 Ų48.89%0.08826%0.255CS..EExtended strand (participates in β ladder)trans-73.4142.2169.6-69-68.8000111.1V23 M26 L27 V33 V35 F49 L83V23-F102 HydrophobicContact CG1-CD1 4.11Å; V23-F102 HydrophobicContact CG1-CE1 4.4Å; M26-F102 HydrophobicContact CB-CE1 4.09Å; M26-F102 HydrophobicContact CB-CZ 3.75Å; M26-F102 HydrophobicContact SD-CE1 4.18Å; M26-F102 HydrophobicContact SD-CZ 4.5Å; L27-F102 HydrophobicContact CD2-CB 4.09Å; L27-F102 HydrophobicContact CD2-CD1 4.42Å; L27-F102 HydrophobicContact CD2-CD2 3.32Å; L27-F102 HydrophobicContact CD2-CE2 3.79Å; L27-F102 HydrophobicContact CD2-CG 3.7Å; L27-F102 HydrophobicContact CG-CD2 4.28Å; L27-F102 HydrophobicContact CG-CE2 4.47Å; L27-F102 HydrophobicContact CG-CG 4.41Å; V33-F102 HydrophobicContact CB-CZ 4.31Å; V33-F102 HydrophobicContact CG2-CZ 4.32Å; V35-F102 HydrophobicContact CG2-CD2 4.32Å; V35-F102 HydrophobicContact CG2-CE2 4.02Å; F49-F102 HydrophobicContact CD1-CD2 4.06Å; F49-F102 AromaticContact CD1-CE2 3.78Å; F49-F102 HydrophobicContact CD1-CE2 3.78Å; F49-F102 HydrophobicContact CD1-CZ 4.35Å; F49-F102 HydrophobicContact CE1-CD1 4.21Å; F49-F102 AromaticContact CE1-CD2 3.43Å; F49-F102 HydrophobicContact CE1-CD2 3.43Å; F49-F102 VanDerWaalsContact CE1-CD2 3.43Å; F49-F102 HydrophobicContact CE1-CE1 4.14Å; F49-F102 AromaticContact CE1-CE2 3.35Å; F49-F102 HydrophobicContact CE1-CE2 3.35Å; F49-F102 AromaticContact CE1-CG 3.87Å; F49-F102 HydrophobicContact CE1-CG 3.87Å; F49-F102 AromaticContact CE1-CZ 3.71Å; F49-F102 HydrophobicContact CE1-CZ 3.71Å; F49-F102 HydrophobicContact CZ-CD1 4.25Å; F49-F102 HydrophobicContact CZ-CD2 4.22Å; F49-F102 AromaticContact CZ-CE1 3.98Å; F49-F102 HydrophobicContact CZ-CE1 3.98Å; F49-F102 AromaticContact CZ-CE2 3.96Å; F49-F102 HydrophobicContact CZ-CE2 3.96Å; F49-F102 HydrophobicContact CZ-CG 4.36Å; F49-F102 AromaticContact CZ-CZ 3.81Å; F49-F102 HydrophobicContact CZ-CZ 3.81Å; L83-F102 HydrophobicContact CB-CD1 4.12Å; L83-F102 HydrophobicContact CD2-CE1 4.31Å
103Q98.1Very high94.8Very high6 Ų648.5 Ų48.53%0.02825%0.249CC..PPolyproline II helixtrans-79.5145.1174.4-17559.4-78.300111.3G81 Y82 F84 F107 W108 Q184G81-Q103 WeakPolarHBondContact O-CB 3.46Å; G81-Q103 WeakPolarHBondContact O-CG 3.41Å; Y82-Q103 WeakPolarHBondContact O-CB 3.33Å; Y82-Q103 PolarHBondContact O-N 3.08Å; F84-Q103 HydrophobicContact CD1-CB 4.21Å; F84-Q103 HydrophobicContact CE1-CB 4.01Å; Q103-F107 HydrophobicContact CG-CB 3.76Å; Q103-W108 PolarHBondContact O-NE1 3.34Å; Q103-Q184 PolarHBondContact NE2-O 3.23Å; Q103-Q184 VanDerWaalsContact OE1-CB 3.3Å
104T96.9Very high94.3Very high42 Ų4256.9 Ų56.926%0.25829%0.289SS..PPolyproline II helixtrans-67.3140.5174.8178.40000111.2Y106 F107 W108T104-Y106 PolarHBondContact O-N 3.47Å; T104-F107 HydrophobicContact CG2-CB 4.31Å; T104-F107 HydrophobicContact CG2-CD2 3.43Å; T104-F107 VanDerWaalsContact CG2-CD2 3.43Å; T104-F107 HydrophobicContact CG2-CE2 4.07Å; T104-F107 HydrophobicContact CG2-CG 4.12Å; T104-F107 PolarHBondContact O-N 2.83Å; T104-W108 VanDerWaalsContact O-CD1 3.32Å
105P96.5Very high94Very high74 Ų7452.8 Ų52.848%0.48127%0.272SS..G310 helixtrans-53.8-22.9178-28.535.3000115.4F107 W108 N111P105-F107 VanDerWaalsContact C-N 3.3Å; P105-F107 PolarHBondContact O-N 3.28Å; P105-W108 HydrophobicContact CB-CD2 4.07Å; P105-W108 HydrophobicContact CB-CE3 4.18Å; P105-W108 HydrophobicContact CB-CH2 4.44Å; P105-W108 HydrophobicContact CB-CZ2 4.29Å; P105-W108 HydrophobicContact CB-CZ3 4.37Å; P105-W108 HydrophobicContact CG-CH2 4.2Å; P105-W108 HydrophobicContact CG-CZ2 3.89Å; P105-W108 PolarHBondContact O-N 2.92Å; P105-N111 PolarHBondContact O-ND2 2.87Å
106Y95.4Very high93.9Very high141 Ų14153.9 Ų53.955%0.55328%0.275SS*.G310 helixtrans-60.5-39.1173.8-179.9-102.4000112.4T104 N111 W113T104-Y106 PolarHBondContact O-N 3.47Å; Y106-N111 PolarHBondContact O-ND2 3.22Å; Y106-W113 HydrophobicContact CD1-CZ2 4.17Å; Y106-W113 HydrophobicContact CD2-CZ2 4.39Å; Y106-W113 AromaticContact CE1-CH2 3.93Å; Y106-W113 HydrophobicContact CE1-CH2 3.93Å; Y106-W113 AromaticContact CE1-CZ2 3.7Å; Y106-W113 HydrophobicContact CE1-CZ2 3.7Å; Y106-W113 HydrophobicContact CE2-CH2 4.16Å; Y106-W113 AromaticContact CE2-CZ2 3.94Å; Y106-W113 HydrophobicContact CE2-CZ2 3.94Å; Y106-W113 HydrophobicContact CG-CZ2 4.5Å; Y106-W113 AromaticContact CZ-CH2 3.56Å; Y106-W113 AromaticContact CZ-CZ2 3.59Å; Y106-W113 PolarHBondContact O-NE1 3.32Å; Y106-W113 WeakPolarHBondContact OH-CH2 3.5Å
107F96.5Very high93.9Very high33 Ų3354 Ų5415%0.14528%0.275CS..G310 helixtrans-93.98.6-177.9-69.1-45.6000114Q103 T104 P105 Q184 F188Q103-F107 HydrophobicContact CG-CB 3.76Å; T104-F107 HydrophobicContact CG2-CB 4.31Å; T104-F107 HydrophobicContact CG2-CD2 3.43Å; T104-F107 VanDerWaalsContact CG2-CD2 3.43Å; T104-F107 HydrophobicContact CG2-CE2 4.07Å; T104-F107 HydrophobicContact CG2-CG 4.12Å; T104-F107 PolarHBondContact O-N 2.83Å; P105-F107 VanDerWaalsContact C-N 3.3Å; P105-F107 PolarHBondContact O-N 3.28Å; F107-Q184 HydrophobicContact CD2-CB 4.37Å; F107-Q184 HydrophobicContact CE2-CB 4.36Å; F107-F188 HydrophobicContact CB-CB 4.2Å; F107-F188 HydrophobicContact CB-CD2 3.93Å; F107-F188 HydrophobicContact CB-CG 4.45Å; F107-F188 HydrophobicContact CD1-CB 3.92Å; F107-F188 HydrophobicContact CD1-CD1 4.4Å; F107-F188 AromaticContact CD1-CD2 3.39Å; F107-F188 HydrophobicContact CD1-CD2 3.39Å; F107-F188 AromaticContact CD1-CE2 3.96Å; F107-F188 HydrophobicContact CD1-CE2 3.96Å; F107-F188 AromaticContact CD1-CG 3.64Å; F107-F188 HydrophobicContact CD1-CG 3.64Å; F107-F188 HydrophobicContact CD2-CB 4.23Å; F107-F188 HydrophobicContact CE1-CB 4.3Å; F107-F188 HydrophobicContact CE1-CD1 4.37Å; F107-F188 HydrophobicContact CE1-CD2 4.14Å; F107-F188 HydrophobicContact CE1-CG 4.01Å; F107-F188 HydrophobicContact CG-CB 3.89Å; F107-F188 AromaticContact CG-CD2 3.9Å; F107-F188 HydrophobicContact CG-CD2 3.9Å; F107-F188 HydrophobicContact CG-CG 4.1Å
108W95.2Very high93.9Very high17 Ų1750.7 Ų50.76%0.06426%0.259CS..  trans-66142.5177.1-71-0.8000112E20 V23 Y82 Q103 T104 P105 S110 N111E20-W108 HydrophobicContact CB-CE3 4.24Å; E20-W108 HydrophobicContact CB-CH2 4.22Å; E20-W108 HydrophobicContact CB-CZ3 3.7Å; E20-W108 HydrophobicContact CG-CD2 4.21Å; E20-W108 HydrophobicContact CG-CE3 3.43Å; E20-W108 VanDerWaalsContact CG-CE3 3.43Å; E20-W108 HydrophobicContact CG-CH2 4.21Å; E20-W108 HydrophobicContact CG-CZ3 3.43Å; E20-W108 VanDerWaalsContact CG-CZ3 3.43Å; V23-W108 HydrophobicContact CG1-CZ2 4.08Å; Y82-W108 AromaticContact CD1-CD1 3.83Å; Y82-W108 AromaticContact CD1-CD2 3.96Å; Y82-W108 HydrophobicContact CD1-CD2 3.96Å; Y82-W108 AromaticContact CD1-CE2 3.88Å; Y82-W108 AromaticContact CD1-CG 3.91Å; Y82-W108 HydrophobicContact CD1-CG 3.91Å; Y82-W108 AromaticContact CD1-NE1 3.82Å; Y82-W108 HydrophobicContact CE1-CB 4.04Å; Y82-W108 AromaticContact CE1-CD2 3.76Å; Y82-W108 HydrophobicContact CE1-CD2 3.76Å; Y82-W108 HydrophobicContact CE1-CE3 4.2Å; Y82-W108 AromaticContact CE1-CG 3.71Å; Y82-W108 HydrophobicContact CE1-CG 3.71Å; Q103-W108 PolarHBondContact O-NE1 3.34Å; T104-W108 VanDerWaalsContact O-CD1 3.32Å; P105-W108 HydrophobicContact CB-CD2 4.07Å; P105-W108 HydrophobicContact CB-CE3 4.18Å; P105-W108 HydrophobicContact CB-CH2 4.44Å; P105-W108 HydrophobicContact CB-CZ2 4.29Å; P105-W108 HydrophobicContact CB-CZ3 4.37Å; P105-W108 HydrophobicContact CG-CH2 4.2Å; P105-W108 HydrophobicContact CG-CZ2 3.89Å; P105-W108 PolarHBondContact O-N 2.92Å; W108-S110 PolarHBondContact O-N 2.94Å; W108-S110 VanDerWaalsContact O-N 3.1Å; W108-N111 WeakPolarHBondContact O-CB 3.45Å; W108-N111 PolarHBondContact O-N 3.45Å; W108-N111 VanDerWaalsContact O-N 3.08Å
109A91.3Very high93.9Very high8 Ų852.1 Ų52.17%0.06627%0.265CS..G310 helixtrans-59.2-24.6-178.100000113.7Y16 N111 C112 L191Y16-A109 HydrophobicContact CE1-CB 4.15Å; Y16-A109 HydrophobicContact CE2-CB 4.01Å; A109-N111 PolarHBondContact O-N 3.28Å; A109-C112 PolarHBondContact O-N 3.05Å; A109-L191 HydrophobicContact CB-CD2 4.34Å
110S90.4Very high93.9Very high31 Ų3150 Ų5022%0.21726%0.256CS..G310 helixtrans-65.3-19.9176.859.90000114.9E20 W108 C112E20-S110 WeakPolarHBondContact OE1-CB 3.16Å; E20-S110 PolarHBondContact OE1-OG 3.47Å; W108-S110 PolarHBondContact O-N 2.94Å; W108-S110 VanDerWaalsContact O-N 3.1Å; S110-C112 PolarHBondContact O-N 2.89Å; S110-C112 VanDerWaalsContact O-N 3.1Å; S110-C112 PolarHBondContact O-SG 3.47Å; S110-C112 VanDerWaalsContact O-SG 3.39Å
111N88.8Confident93.9Very high81 Ų8150 Ų5043%0.43326%0.256SS..G310 helixtrans-72.23.1175.6-68.3-28.6000113P105 Y106 W108 A109 W113P105-N111 PolarHBondContact O-ND2 2.87Å; Y106-N111 PolarHBondContact O-ND2 3.22Å; W108-N111 WeakPolarHBondContact O-CB 3.45Å; W108-N111 PolarHBondContact O-N 3.45Å; W108-N111 VanDerWaalsContact O-N 3.08Å; A109-N111 PolarHBondContact O-N 3.28Å; N111-W113 VanDerWaalsContact C-N 3.32Å; N111-W113 PolarHBondContact O-N 3.28Å
112C82.2Confident93.9Very high49 Ų4949.7 Ų49.733%0.33126%0.255SS..  trans56.744.6174.8-56.60000112.3A109 S110 E114A109-C112 PolarHBondContact O-N 3.05Å; S110-C112 PolarHBondContact O-N 2.89Å; S110-C112 VanDerWaalsContact O-N 3.1Å; S110-C112 PolarHBondContact O-SG 3.47Å; S110-C112 VanDerWaalsContact O-SG 3.39Å; C112-E114 PolarHBondContact O-N 2.75Å
113W86.3Confident93.8Very high81 Ų8149 Ų4931%0.30725%0.252SS..  trans-63.1125.5176.4-73.9110.3000111Y106 N111 P115 F188 H192Y106-W113 HydrophobicContact CD1-CZ2 4.17Å; Y106-W113 HydrophobicContact CD2-CZ2 4.39Å; Y106-W113 AromaticContact CE1-CH2 3.93Å; Y106-W113 HydrophobicContact CE1-CH2 3.93Å; Y106-W113 AromaticContact CE1-CZ2 3.7Å; Y106-W113 HydrophobicContact CE1-CZ2 3.7Å; Y106-W113 HydrophobicContact CE2-CH2 4.16Å; Y106-W113 AromaticContact CE2-CZ2 3.94Å; Y106-W113 HydrophobicContact CE2-CZ2 3.94Å; Y106-W113 HydrophobicContact CG-CZ2 4.5Å; Y106-W113 AromaticContact CZ-CH2 3.56Å; Y106-W113 AromaticContact CZ-CZ2 3.59Å; Y106-W113 PolarHBondContact O-NE1 3.32Å; Y106-W113 WeakPolarHBondContact OH-CH2 3.5Å; N111-W113 VanDerWaalsContact C-N 3.32Å; N111-W113 PolarHBondContact O-N 3.28Å; W113-P115 WeakPolarHBondContact O-CD 3.38Å; W113-F188 HydrophobicContact CB-CE2 3.99Å; W113-F188 HydrophobicContact CB-CZ 4.3Å; W113-F188 AromaticContact CD1-CE2 3.84Å; W113-F188 AromaticContact CD2-CE2 3.91Å; W113-F188 HydrophobicContact CD2-CE2 3.91Å; W113-F188 HydrophobicContact CD2-CZ 4.16Å; W113-F188 HydrophobicContact CE3-CE2 4.48Å; W113-F188 HydrophobicContact CE3-CZ 4.28Å; W113-F188 AromaticContact CG-CE2 3.66Å; W113-F188 HydrophobicContact CG-CE2 3.66Å; W113-F188 HydrophobicContact CG-CZ 4.19Å; W113-H192 WeakPolarHBondContact CB-NE2 3.4Å; W113-H192 PolarHBondContact O-CE1 3.5Å
114E87.1Confident93.8Very high177 Ų17748.7 Ų48.783%0.82725%0.251SS*.  trans-121.366.1169.1-66.9-175164.400108.8C112 D116C112-E114 PolarHBondContact O-N 2.75Å; E114-D116 PolarHBondContact O-N 2.8Å
115P91Very high93.7Very high13 Ų1346.9 Ų46.98%0.08424%0.239CC..  trans-66.9129.6-173.528-33.3000110.4W113 F188 W189 H192 R193W113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-F188 HydrophobicContact CB-CE1 4.21Å; P115-F188 HydrophobicContact CB-CZ 4.04Å; P115-F188 HydrophobicContact CG-CE1 4.28Å; P115-F188 HydrophobicContact CG-CZ 3.94Å; P115-W189 HydrophobicContact CB-CH2 3.71Å; P115-W189 HydrophobicContact CB-CZ3 3.76Å; P115-W189 HydrophobicContact CG-CH2 4.48Å; P115-W189 HydrophobicContact CG-CZ3 4.06Å; P115-H192 HydrophobicContact CG-CB 3.66Å; P115-H192 VanDerWaalsContact CG-CG 3.48Å; P115-R193 PolarHBondContact O-NH2 3.21Å
116D93.8Very high93.7Very high74 Ų7443.7 Ų43.740%0.39622%0.218SC..  trans-82.3175.1-175.384.35.1000111.8E114 T118 D119 Y120E114-D116 PolarHBondContact O-N 2.8Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.33Å; D116-T118 VanDerWaalsContact OD1-CA 3.28Å; D116-T118 WeakPolarHBondContact OD1-CA 3.46Å; D116-T118 WeakPolarHBondContact OD1-CB 3.48Å; D116-T118 PolarHBondContact OD1-N 3.21Å; D116-T118 PolarHBondContact OD1-OG1 2.88Å; D116-T118 PolarHBondContact OD2-OG1 3.24Å; D116-D119 PolarHBondContact OD1-N 3.48Å; D116-Y120 PolarHBondContact O-N 3.25Å
117N96.8Very high93.6Very high65 Ų6538.2 Ų38.235%0.34820%0.196SC..Hα-helixtrans-73.1-21178.5-75-15.7000113A121 L148 F152 R193N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 3.21Å; N117-L148 HydrophobicContact CB-CD2 3.8Å; N117-F152 HydrophobicContact CB-CE2 3.97Å; N117-F152 HydrophobicContact CB-CZ 3.84Å; N117-R193 PolarHBondContact OD1-NH2 2.83Å
118T97.1Very high93.5Very high48 Ų4840 Ų4029%0.29421%0.21SC..Hα-helixtrans-69.1-47.6176.8-41.90000109.7D116 Y120 A121 V122 I159D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.33Å; D116-T118 VanDerWaalsContact OD1-CA 3.28Å; D116-T118 WeakPolarHBondContact OD1-CA 3.46Å; D116-T118 WeakPolarHBondContact OD1-CB 3.48Å; D116-T118 PolarHBondContact OD1-N 3.21Å; D116-T118 PolarHBondContact OD1-OG1 2.88Å; D116-T118 PolarHBondContact OD2-OG1 3.24Å; T118-Y120 VanDerWaalsContact C-N 3.33Å; T118-Y120 PolarHBondContact O-N 3.13Å; T118-A121 WeakPolarHBondContact O-CB 3.38Å; T118-A121 PolarHBondContact O-N 3.23Å; T118-V122 WeakPolarHBondContact O-CG2 3.29Å; T118-V122 PolarHBondContact O-N 2.95Å; T118-I159 HydrophobicContact CG2-CG1 4.39Å
119D96.6Very high93.3Very high74 Ų7440.5 Ų40.540%0.39621%0.214SC..Hα-helixtrans-60.3-43.4177.8-66.9-36.4000111D116 A121 V122 Y123 W189D116-D119 PolarHBondContact OD1-N 3.48Å; D119-A121 VanDerWaalsContact C-N 3.34Å; D119-A121 PolarHBondContact O-N 3.42Å; D119-V122 PolarHBondContact O-N 2.87Å; D119-Y123 PolarHBondContact O-N 3.43Å; D119-W189 HydrophobicContact CB-CH2 3.79Å; D119-W189 HydrophobicContact CB-CZ2 4.07Å
120Y97.7Very high92.8Very high6 Ų641.3 Ų41.32%0.02422%0.216CC..Hα-helixtrans-65.9-37.9177.3-170.1-137.3000112.1D116 T118 V122 Y123 L124 N144 L148 W189 R193D116-Y120 PolarHBondContact O-N 3.25Å; T118-Y120 VanDerWaalsContact C-N 3.33Å; T118-Y120 PolarHBondContact O-N 3.13Å; Y120-V122 VanDerWaalsContact C-N 3.35Å; Y120-Y123 AromaticContact CD2-CD1 3.79Å; Y120-Y123 HydrophobicContact CD2-CD1 3.79Å; Y120-Y123 HydrophobicContact CD2-CE1 4.49Å; Y120-Y123 AromaticContact CE2-CD1 3.76Å; Y120-Y123 HydrophobicContact CE2-CD1 3.76Å; Y120-Y123 HydrophobicContact CE2-CE1 4.03Å; Y120-Y123 PolarHBondContact O-N 3.34Å; Y120-L124 HydrophobicContact CD1-CD1 4.14Å; Y120-L124 HydrophobicContact CD2-CD1 4.48Å; Y120-L124 HydrophobicContact CD2-CG 4.17Å; Y120-L124 HydrophobicContact CE1-CD1 3.68Å; Y120-L124 HydrophobicContact CE1-CG 4.35Å; Y120-L124 HydrophobicContact CE2-CD1 4.07Å; Y120-L124 HydrophobicContact CE2-CD2 3.93Å; Y120-L124 HydrophobicContact CE2-CG 3.83Å; Y120-L124 WeakPolarHBondContact O-CG 3.29Å; Y120-L124 PolarHBondContact O-N 3.48Å; Y120-N144 HydrophobicContact CE1-CB 4.01Å; Y120-L148 HydrophobicContact CD1-CD1 3.76Å; Y120-L148 HydrophobicContact CE1-CD1 4.33Å; Y120-L148 HydrophobicContact CG-CD1 4.46Å; Y120-W189 VanDerWaalsContact CA-CH2 3.42Å; Y120-W189 AromaticContact CD2-CD2 3.55Å; Y120-W189 HydrophobicContact CD2-CD2 3.55Å; Y120-W189 AromaticContact CD2-CE3 3.32Å; Y120-W189 HydrophobicContact CD2-CE3 3.32Å; Y120-W189 HydrophobicContact CD2-CG 4.1Å; Y120-W189 HydrophobicContact CD2-CH2 4.21Å; Y120-W189 HydrophobicContact CD2-CZ2 4.4Å; Y120-W189 AromaticContact CD2-CZ3 3.69Å; Y120-W189 HydrophobicContact CD2-CZ3 3.69Å; Y120-W189 HydrophobicContact CE2-CB 4.21Å; Y120-W189 HydrophobicContact CE2-CD2 4.11Å; Y120-W189 HydrophobicContact CE2-CE3 4Å; Y120-W189 HydrophobicContact CE2-CG 4.22Å; Y120-W189 AromaticContact CG-CE3 3.97Å; Y120-W189 HydrophobicContact CG-CE3 3.97Å; Y120-W189 HydrophobicContact CG-CH2 4.36Å; Y120-W189 AromaticContact CG-CZ3 3.88Å; Y120-W189 HydrophobicContact CG-CZ3 3.88Å; Y120-W189 VanDerWaalsContact N-CH2 3.27Å; Y120-R193 HydrophobicContact CD1-CG 3.8Å; Y120-R193 HydrophobicContact CD2-CG 4.07Å; Y120-R193 HydrophobicContact CE1-CB 4.01Å; Y120-R193 HydrophobicContact CE1-CG 3.77Å; Y120-R193 HydrophobicContact CE2-CB 4.06Å; Y120-R193 HydrophobicContact CE2-CG 4.04Å; Y120-R193 HydrophobicContact CG-CG 3.96Å
121A98Very high92Very high0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-64-39.717500000112N117 T118 D119 C125 L148 F152 W156 I159N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 3.21Å; T118-A121 WeakPolarHBondContact O-CB 3.38Å; T118-A121 PolarHBondContact O-N 3.23Å; D119-A121 VanDerWaalsContact C-N 3.34Å; D119-A121 PolarHBondContact O-N 3.42Å; A121-C125 WeakPolarHBondContact O-CB 3.35Å; A121-C125 PolarHBondContact O-N 2.92Å; A121-L148 HydrophobicContact CB-CB 4.09Å; A121-L148 HydrophobicContact CB-CD1 4.03Å; A121-L148 HydrophobicContact CB-CG 4.45Å; A121-F152 HydrophobicContact CB-CD2 4.26Å; A121-F152 HydrophobicContact CB-CE2 4.38Å; A121-W156 HydrophobicContact CB-CZ3 4.32Å; A121-I159 HydrophobicContact CB-CD1 4.08Å; A121-I159 HydrophobicContact CB-CG2 4.05Å
122V97.6Very high91.4Very high3 Ų347.6 Ų47.62%0.01824%0.243CC..Hα-helixtrans-61.9-46.2173.7172.10000110.5T118 D119 Y120 C125 K126 I159 Q162 A163T118-V122 WeakPolarHBondContact O-CG2 3.29Å; T118-V122 PolarHBondContact O-N 2.95Å; D119-V122 PolarHBondContact O-N 2.87Å; Y120-V122 VanDerWaalsContact C-N 3.35Å; V122-C125 PolarHBondContact O-N 3.07Å; V122-K126 VanDerWaalsContact O-CB 3.28Å; V122-K126 WeakPolarHBondContact O-CB 3.19Å; V122-K126 PolarHBondContact O-N 2.92Å; V122-I159 HydrophobicContact CG2-CG2 3.91Å; V122-Q162 HydrophobicContact CG1-CB 4.46Å; V122-Q162 HydrophobicContact CG1-CG 4Å; V122-Q162 HydrophobicContact CG2-CB 4.23Å; V122-Q162 HydrophobicContact CG2-CG 4.12Å; V122-A163 HydrophobicContact CG1-CB 4.19Å
123Y96.9Very high91Very high6 Ų648.7 Ų48.72%0.02426%0.256CS..Hα-helixtrans-59.9-52.4177.6163.5-104.1000112.7D119 Y120 C125 K126 R127 E185 R186 W189D119-Y123 PolarHBondContact O-N 3.43Å; Y120-Y123 AromaticContact CD2-CD1 3.79Å; Y120-Y123 HydrophobicContact CD2-CD1 3.79Å; Y120-Y123 HydrophobicContact CD2-CE1 4.49Å; Y120-Y123 AromaticContact CE2-CD1 3.76Å; Y120-Y123 HydrophobicContact CE2-CD1 3.76Å; Y120-Y123 HydrophobicContact CE2-CE1 4.03Å; Y120-Y123 PolarHBondContact O-N 3.34Å; Y123-C125 VanDerWaalsContact C-N 3.35Å; Y123-C125 PolarHBondContact O-N 3.38Å; Y123-K126 WeakPolarHBondContact O-CB 3.47Å; Y123-K126 PolarHBondContact O-N 2.81Å; Y123-R127 HydrophobicContact CD2-CG 4.46Å; Y123-R127 HydrophobicContact CE2-CG 4.01Å; Y123-R127 PolarHBondContact O-N 2.78Å; Y123-R127 VanDerWaalsContact OH-CD 3.28Å; Y123-R127 WeakPolarHBondContact OH-CD 3.49Å; Y123-R127 PolarHBondContact OH-NH1 3.14Å; Y123-E185 HydrophobicContact CD2-CG 3.95Å; Y123-E185 HydrophobicContact CE2-CG 4.06Å; Y123-R186 WeakPolarHBondContact OH-CA 3.24Å; Y123-W189 HydrophobicContact CD1-CB 4.3Å; Y123-W189 AromaticContact CD1-CD1 3.37Å; Y123-W189 HydrophobicContact CD1-CD2 4.17Å; Y123-W189 AromaticContact CD1-CG 3.69Å; Y123-W189 HydrophobicContact CD1-CG 3.69Å; Y123-W189 AromaticContact CD1-NE1 3.64Å; Y123-W189 AromaticContact CD2-CD1 3.34Å; Y123-W189 HydrophobicContact CD2-CG 4.4Å; Y123-W189 AromaticContact CD2-NE1 3.42Å; Y123-W189 HydrophobicContact CE1-CB 3.89Å; Y123-W189 AromaticContact CE1-CD1 3.51Å; Y123-W189 AromaticContact CE1-CG 3.74Å; Y123-W189 HydrophobicContact CE1-CG 3.74Å; Y123-W189 AromaticContact CE2-CD1 3.49Å; Y123-W189 VanDerWaalsContact CE2-CD1 3.49Å; Y123-W189 HydrophobicContact CE2-CG 4.44Å; Y123-W189 AromaticContact CG-CD1 3.27Å; Y123-W189 HydrophobicContact CG-CD2 4.4Å; Y123-W189 AromaticContact CG-CE2 3.9Å; Y123-W189 HydrophobicContact CG-CG 4.03Å; Y123-W189 AromaticContact CG-NE1 3.16Å; Y123-W189 AromaticContact CZ-CD1 3.55Å
124L97Very high90.4Very high0 Ų051.8 Ų51.80%027%0.273CS..Hα-helixtrans-63.5-41.8179.4-68.7-178000111.3Y120 K126 R127 T128 L137 E141 N144 L145 L148Y120-L124 HydrophobicContact CD1-CD1 4.14Å; Y120-L124 HydrophobicContact CD2-CD1 4.48Å; Y120-L124 HydrophobicContact CD2-CG 4.17Å; Y120-L124 HydrophobicContact CE1-CD1 3.68Å; Y120-L124 HydrophobicContact CE1-CG 4.35Å; Y120-L124 HydrophobicContact CE2-CD1 4.07Å; Y120-L124 HydrophobicContact CE2-CD2 3.93Å; Y120-L124 HydrophobicContact CE2-CG 3.83Å; Y120-L124 WeakPolarHBondContact O-CG 3.29Å; Y120-L124 PolarHBondContact O-N 3.48Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 3.45Å; L124-R127 WeakPolarHBondContact O-CB 3.49Å; L124-R127 PolarHBondContact O-N 2.86Å; L124-T128 WeakPolarHBondContact O-CG2 3.44Å; L124-T128 PolarHBondContact O-N 2.84Å; L124-T128 VanDerWaalsContact O-N 3.13Å; L124-L137 HydrophobicContact CD2-CD2 3.92Å; L124-E141 HydrophobicContact CD2-CB 3.92Å; L124-E141 HydrophobicContact CD2-CG 4.16Å; L124-N144 HydrophobicContact CD1-CB 4.1Å; L124-L145 HydrophobicContact CB-CB 4.36Å; L124-L145 HydrophobicContact CB-CD1 3.92Å; L124-L145 HydrophobicContact CD1-CB 4.03Å; L124-L148 HydrophobicContact CD1-CD1 4.03Å
125C96.1Very high89.9Confident3 Ų345 Ų452%0.0224%0.243CC..Hα-helixtrans-60.1-44.3174.5-172.80000111.1A121 V122 Y123 R127 T128 W156 I159 A163A121-C125 WeakPolarHBondContact O-CB 3.35Å; A121-C125 PolarHBondContact O-N 2.92Å; V122-C125 PolarHBondContact O-N 3.07Å; Y123-C125 VanDerWaalsContact C-N 3.35Å; Y123-C125 PolarHBondContact O-N 3.38Å; C125-R127 VanDerWaalsContact C-N 3.33Å; C125-R127 PolarHBondContact O-N 3.45Å; C125-T128 PolarHBondContact O-N 3.44Å; C125-T128 PolarHBondContact O-OG1 2.99Å; C125-W156 HydrophobicContact CB-CH2 4.27Å; C125-W156 HydrophobicContact CB-CZ2 4.31Å; C125-I159 HydrophobicContact CB-CG2 4.44Å; C125-A163 HydrophobicContact CB-CB 3.9Å
126K95.3Very high89.6Confident7 Ų750.5 Ų50.53%0.0327%0.267CS..Hα-helixtrans-58.9-45.2176.2-172.3179.471.4171.10110.7V122 Y123 L124 T128 M129 H130 A163 Q166 D170 E185V122-K126 VanDerWaalsContact O-CB 3.28Å; V122-K126 WeakPolarHBondContact O-CB 3.19Å; V122-K126 PolarHBondContact O-N 2.92Å; Y123-K126 WeakPolarHBondContact O-CB 3.47Å; Y123-K126 PolarHBondContact O-N 2.81Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 3.45Å; K126-T128 VanDerWaalsContact C-N 3.33Å; K126-T128 PolarHBondContact O-N 3.17Å; K126-M129 VanDerWaalsContact O-CB 3.28Å; K126-M129 WeakPolarHBondContact O-CB 3.5Å; K126-M129 PolarHBondContact O-N 3.45Å; K126-H130 PolarHBondContact O-CD2 2.7Å; K126-H130 VanDerWaalsContact O-CD2 3.25Å; K126-A163 HydrophobicContact CB-CB 4.09Å; K126-Q166 HydrophobicContact CD-CB 3.79Å; K126-D170 IonicContact NZ-OD2 2.82Å; K126-D170 PolarHBondContact NZ-OD2 2.86Å; K126-E185 IonicContact NZ-OE1 3.68Å; K126-E185 PolarHBondContact NZ-OE1 3.15Å; K126-E185 IonicContact NZ-OE2 3.96Å; K126-E185 PolarHBondContact NZ-OE2 3.21Å
127R94Very high89.5Confident26 Ų2648.7 Ų48.710%0.09826%0.257CS..Hα-helixtrans-57.8-40.4177.2-79.7-165.160.2-174-1.8113.4Y123 L124 C125 M129 H130 L135 E136 L137 E141Y123-R127 HydrophobicContact CD2-CG 4.46Å; Y123-R127 HydrophobicContact CE2-CG 4.01Å; Y123-R127 PolarHBondContact O-N 2.78Å; Y123-R127 VanDerWaalsContact OH-CD 3.28Å; Y123-R127 WeakPolarHBondContact OH-CD 3.49Å; Y123-R127 PolarHBondContact OH-NH1 3.14Å; L124-R127 WeakPolarHBondContact O-CB 3.49Å; L124-R127 PolarHBondContact O-N 2.86Å; C125-R127 VanDerWaalsContact C-N 3.33Å; C125-R127 PolarHBondContact O-N 3.45Å; R127-M129 PolarHBondContact O-N 3.07Å; R127-M129 VanDerWaalsContact O-N 3.14Å; R127-H130 WeakPolarHBondContact O-CB 3.49Å; R127-H130 PolarHBondContact O-N 3.28Å; R127-L135 PolarHBondContact NH2-O 3.33Å; R127-E136 PolarHBondContact NH2-O 3.2Å; R127-L137 HydrophobicContact CB-CD2 3.68Å; R127-L137 HydrophobicContact CG-CD2 4.48Å; R127-E141 IonicContact CZ-OE1 3.68Å; R127-E141 IonicContact CZ-OE2 2.86Å; R127-E141 IonicContact NH1-OE1 2.72Å; R127-E141 PolarHBondContact NH1-OE1 3.47Å; R127-E141 IonicContact NH1-OE2 3.81Å; R127-E141 PolarHBondContact NH1-OE2 3.42Å; R127-E141 IonicContact NH2-OE2 2.7Å; R127-E141 PolarHBondContact NH2-OE2 3.07Å
128T93.3Very high89.4Confident71 Ų7150.3 Ų50.344%0.43626%0.263SS..Hα-helixtrans-63.5-18.6176.365.60000114.2L124 C125 K126 H130 L137 L145L124-T128 WeakPolarHBondContact O-CG2 3.44Å; L124-T128 PolarHBondContact O-N 2.84Å; L124-T128 VanDerWaalsContact O-N 3.13Å; C125-T128 PolarHBondContact O-N 3.44Å; C125-T128 PolarHBondContact O-OG1 2.99Å; K126-T128 VanDerWaalsContact C-N 3.33Å; K126-T128 PolarHBondContact O-N 3.17Å; T128-H130 PolarHBondContact O-N 3.46Å; T128-L137 HydrophobicContact CG2-CD1 3.56Å; T128-L137 HydrophobicContact CG2-CG 4.07Å; T128-L145 HydrophobicContact CG2-CD2 3.63Å
129M91.9Very high89.2Confident28 Ų2854.6 Ų54.614%0.13828%0.284CS..THydrogen-bonded Turntrans-78-8.7175.7-55.9178.1177.200112.6K126 R127 N131 F160 A163 E164 Y167K126-M129 VanDerWaalsContact O-CB 3.28Å; K126-M129 WeakPolarHBondContact O-CB 3.5Å; K126-M129 PolarHBondContact O-N 3.45Å; R127-M129 PolarHBondContact O-N 3.07Å; R127-M129 VanDerWaalsContact O-N 3.14Å; M129-N131 PolarHBondContact O-N 3Å; M129-F160 HydrophobicContact CE-CD2 3.77Å; M129-F160 HydrophobicContact CE-CE1 4.39Å; M129-F160 HydrophobicContact CE-CE2 3.53Å; M129-F160 HydrophobicContact CE-CG 4.31Å; M129-F160 HydrophobicContact CE-CZ 3.87Å; M129-A163 HydrophobicContact CE-CB 3.85Å; M129-E164 HydrophobicContact CE-CB 3.96Å; M129-E164 HydrophobicContact SD-CB 4.22Å; M129-E164 HydrophobicContact SD-CG 4.42Å; M129-Y167 HydrophobicContact CB-CD2 3.99Å; M129-Y167 HydrophobicContact CB-CE2 4.12Å; M129-Y167 HydrophobicContact CB-CG 4.21Å; M129-Y167 PolarHBondContact O-OH 2.97Å; M129-Y167 HydrophobicContact SD-CG 4.3Å
130H81.9Confident89.2Confident24 Ų2452.3 Ų52.311%0.11127%0.271CS..  trans-84.8102.3174.6-66.2-109.8000109.7K126 R127 T128 K132 L135 Y167 D182K126-H130 PolarHBondContact O-CD2 2.7Å; K126-H130 VanDerWaalsContact O-CD2 3.25Å; R127-H130 WeakPolarHBondContact O-CB 3.49Å; R127-H130 PolarHBondContact O-N 3.28Å; T128-H130 PolarHBondContact O-N 3.46Å; H130-K132 PolarHBondContact O-N 2.95Å; H130-L135 HydrophobicContact CB-CB 3.89Å; H130-L135 HydrophobicContact CB-CD1 3.73Å; H130-L135 HydrophobicContact CB-CG 4.47Å; H130-L135 WeakPolarHBondContact ND1-CD1 3.47Å; H130-Y167 AromaticContact CD2-CD2 3.98Å; H130-Y167 AromaticContact CD2-CE2 3.86Å; H130-Y167 AromaticContact CE1-CE2 3.94Å; H130-Y167 AromaticContact NE2-CD2 3.63Å; H130-Y167 AromaticContact NE2-CE2 3.75Å; H130-D182 IonicContact CE1-OD2 3.72Å
131N73.3Confident89.2Confident159 Ų15952.1 Ų52.185%0.8527%0.27SS*.  trans-72.646.2176-63.4-14.2000113.1M129M129-N131 PolarHBondContact O-N 3Å
132K75.3Confident89.1Confident85 Ų8554.2 Ų54.237%0.3729%0.287SS..  trans-129.1126.6179.5-63.2-173.8-176.4174.30109.4H130 H134 L135 E136H130-K132 PolarHBondContact O-N 2.95Å; K132-H134 VanDerWaalsContact C-N 3.3Å; K132-H134 PolarHBondContact O-N 3.11Å; K132-L135 HydrophobicContact CB-CB 4.42Å; K132-L135 HydrophobicContact CB-CD1 4.19Å; K132-L135 HydrophobicContact CB-CG 4.32Å; K132-L135 HydrophobicContact CD-CD1 4.06Å; K132-L135 WeakPolarHBondContact O-CA 3.46Å; K132-L135 PolarHBondContact O-N 3.05Å; K132-E136 PolarHBondContact O-N 3.24Å
133A75Confident89Confident73 Ų7359.5 Ų59.560%0.60331%0.311SS*.G310 helixtrans-51.9-42.8-176.800000114L135 E136A133-L135 PolarHBondContact O-N 3.19Å; A133-L135 VanDerWaalsContact O-N 3.13Å; A133-E136 WeakPolarHBondContact O-CB 3.4Å; A133-E136 WeakPolarHBondContact O-CG 3.22Å; A133-E136 PolarHBondContact O-N 3.47Å; A133-E136 VanDerWaalsContact O-N 3.13Å
134H73.2Confident89.1Confident146 Ų14661.2 Ų61.268%0.67632%0.321SS*.G310 helixtrans-72-2.1178.367.2-89.7000114.9K132K132-H134 VanDerWaalsContact C-N 3.3Å; K132-H134 PolarHBondContact O-N 3.11Å
135L76.8Confident89.1Confident34 Ų3462 Ų6218%0.17833%0.325CS..G310 helixtrans-113.32.2174.6-61.9177.1000111.7R127 H130 K132 A133R127-L135 PolarHBondContact NH2-O 3.33Å; H130-L135 HydrophobicContact CB-CB 3.89Å; H130-L135 HydrophobicContact CB-CD1 3.73Å; H130-L135 HydrophobicContact CB-CG 4.47Å; H130-L135 WeakPolarHBondContact ND1-CD1 3.47Å; K132-L135 HydrophobicContact CB-CB 4.42Å; K132-L135 HydrophobicContact CB-CD1 4.19Å; K132-L135 HydrophobicContact CB-CG 4.32Å; K132-L135 HydrophobicContact CD-CD1 4.06Å; K132-L135 WeakPolarHBondContact O-CA 3.46Å; K132-L135 PolarHBondContact O-N 3.05Å; A133-L135 PolarHBondContact O-N 3.19Å; A133-L135 VanDerWaalsContact O-N 3.13Å
136E83.3Confident89.1Confident129 Ų12964.4 Ų64.460%0.60335%0.345SS*.SBendtrans-56.9151.6172.1-73.1177-171.200110.2R127 K132 A133R127-E136 PolarHBondContact NH2-O 3.2Å; K132-E136 PolarHBondContact O-N 3.24Å; A133-E136 WeakPolarHBondContact O-CB 3.4Å; A133-E136 WeakPolarHBondContact O-CG 3.22Å; A133-E136 PolarHBondContact O-N 3.47Å; A133-E136 VanDerWaalsContact O-N 3.13Å
137L92.9Very high89.3Confident35 Ų3569.6 Ų69.618%0.18337%0.368CS..PPolyproline II helixtrans-71137.5178-64.8-175.4000109.1L124 R127 T128 E141 A142 L145L124-L137 HydrophobicContact CD2-CD2 3.92Å; R127-L137 HydrophobicContact CB-CD2 3.68Å; R127-L137 HydrophobicContact CG-CD2 4.48Å; T128-L137 HydrophobicContact CG2-CD1 3.56Å; T128-L137 HydrophobicContact CG2-CG 4.07Å; L137-E141 HydrophobicContact CB-CB 4.02Å; L137-E141 HydrophobicContact CD2-CB 4.18Å; L137-A142 HydrophobicContact CB-CB 4.36Å; L137-L145 HydrophobicContact CD1-CB 4.3Å; L137-L145 HydrophobicContact CD1-CD2 3.59Å
138E93.7Very high89.4Confident99 Ų9968.9 Ų68.946%0.46337%0.366SS..PPolyproline II helixtrans-65158.8166.5-66.3-65.515800110.3H89 F140 E141 A142H89-E138 VanDerWaalsContact CD2-CG 3.48Å; H89-E138 WeakPolarHBondContact CD2-CG 3.35Å; E138-F140 VanDerWaalsContact C-N 3.26Å; E138-F140 HydrophobicContact CB-CD1 3.61Å; E138-F140 HydrophobicContact CB-CE1 3.49Å; E138-F140 VanDerWaalsContact CB-CE1 3.49Å; E138-F140 HydrophobicContact CG-CE1 3.99Å; E138-F140 PolarHBondContact O-N 2.8Å; E138-F140 VanDerWaalsContact O-N 3.17Å; E138-E141 HydrophobicContact CB-CG 4.38Å; E138-E141 PolarHBondContact N-OE2 3.17Å; E138-E141 WeakPolarHBondContact O-CA 3.15Å; E138-E141 WeakPolarHBondContact O-CB 3.33Å; E138-E141 PolarHBondContact O-N 3.45Å; E138-A142 PolarHBondContact O-N 3.1Å
139D94.5Very high89.6Confident138 Ų13869.3 Ų69.374%0.73836%0.363SS*.Hα-helixtrans-52.8-43.7-176.8-72.7-24.9000112.4E141 A142 E143D139-E141 VanDerWaalsContact C-N 3.33Å; D139-E141 PolarHBondContact O-N 3.33Å; D139-A142 PolarHBondContact O-N 3.45Å; D139-E143 WeakPolarHBondContact O-CG 3.41Å; D139-E143 PolarHBondContact O-N 3.1Å
140F95.8Very high89.9Confident27 Ų2776.4 Ų76.412%0.11839%0.393CS..Hα-helixtrans-67.4-33.2178.979.5-85.6000112.8H89 E138 N144 V195 P196H89-F140 HydrophobicContact CB-CE1 4.5Å; H89-F140 HydrophobicContact CB-CZ 4.43Å; E138-F140 VanDerWaalsContact C-N 3.26Å; E138-F140 HydrophobicContact CB-CD1 3.61Å; E138-F140 HydrophobicContact CB-CE1 3.49Å; E138-F140 VanDerWaalsContact CB-CE1 3.49Å; E138-F140 HydrophobicContact CG-CE1 3.99Å; E138-F140 PolarHBondContact O-N 2.8Å; E138-F140 VanDerWaalsContact O-N 3.17Å; F140-N144 WeakPolarHBondContact O-CB 3.31Å; F140-N144 PolarHBondContact O-N 3.46Å; F140-N144 PolarHBondContact O-ND2 2.89Å; F140-V195 HydrophobicContact CE1-CG2 4.02Å; F140-V195 HydrophobicContact CE2-CG2 4.44Å; F140-V195 HydrophobicContact CZ-CG2 3.84Å; F140-P196 HydrophobicContact CB-CG 3.86Å; F140-P196 HydrophobicContact CG-CG 4.42Å
141E96.9Very high90.6Very high1 Ų180.7 Ų80.71%0.00542%0.415CS..Hα-helixtrans-71.9-40.6175.3-68.3-173.1114.800110.9H89 L124 R127 L137 E138 D139 N144 L145H89-E141 IonicContact CE1-OE1 2.75Å; H89-E141 IonicContact CE1-OE2 3.58Å; H89-E141 IonicContact NE2-OE2 3.75Å; L124-E141 HydrophobicContact CD2-CB 3.92Å; L124-E141 HydrophobicContact CD2-CG 4.16Å; R127-E141 IonicContact CZ-OE1 3.68Å; R127-E141 IonicContact CZ-OE2 2.86Å; R127-E141 IonicContact NH1-OE1 2.72Å; R127-E141 PolarHBondContact NH1-OE1 3.47Å; R127-E141 IonicContact NH1-OE2 3.81Å; R127-E141 PolarHBondContact NH1-OE2 3.42Å; R127-E141 IonicContact NH2-OE2 2.7Å; R127-E141 PolarHBondContact NH2-OE2 3.07Å; L137-E141 HydrophobicContact CB-CB 4.02Å; L137-E141 HydrophobicContact CD2-CB 4.18Å; E138-E141 HydrophobicContact CB-CG 4.38Å; E138-E141 PolarHBondContact N-OE2 3.17Å; E138-E141 WeakPolarHBondContact O-CA 3.15Å; E138-E141 WeakPolarHBondContact O-CB 3.33Å; E138-E141 PolarHBondContact O-N 3.45Å; D139-E141 VanDerWaalsContact C-N 3.33Å; D139-E141 PolarHBondContact O-N 3.33Å; E141-N144 PolarHBondContact O-N 2.67Å; E141-L145 WeakPolarHBondContact O-CB 3.5Å; E141-L145 PolarHBondContact O-N 3.27Å
142A95.8Very high91.8Very high44 Ų4475 Ų7536%0.36438%0.382SS..Hα-helixtrans-62.4-42.5174.900000111.4L137 E138 D139 L145 A146L137-A142 HydrophobicContact CB-CB 4.36Å; E138-A142 PolarHBondContact O-N 3.1Å; D139-A142 PolarHBondContact O-N 3.45Å; A142-L145 PolarHBondContact O-N 3.48Å; A142-A146 PolarHBondContact O-N 3.24Å
143E97.1Very high92.8Very high114 Ų11475.1 Ų75.153%0.53339%0.393SS..Hα-helixtrans-61.1-43.7171.8-76.5-172-165.800112.6D139 A146 K147D139-E143 WeakPolarHBondContact O-CG 3.41Å; D139-E143 PolarHBondContact O-N 3.1Å; E143-A146 PolarHBondContact O-N 3.29Å; E143-K147 VanDerWaalsContact O-CG 3.3Å; E143-K147 WeakPolarHBondContact O-CG 3.35Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 IonicContact OE2-NZ 2.69Å; E143-K147 PolarHBondContact OE2-NZ 2.91Å
144N97.1Very high93.8Very high43 Ų4382.9 Ų82.923%0.2341%0.407CS..Hα-helixtrans-63-43.6177-76.2-22.2000111.1Y120 L124 F140 E141 A146 K147 L148Y120-N144 HydrophobicContact CE1-CB 4.01Å; L124-N144 HydrophobicContact CD1-CB 4.1Å; F140-N144 WeakPolarHBondContact O-CB 3.31Å; F140-N144 PolarHBondContact O-N 3.46Å; F140-N144 PolarHBondContact O-ND2 2.89Å; E141-N144 PolarHBondContact O-N 2.67Å; N144-A146 PolarHBondContact O-N 2.82Å; N144-K147 PolarHBondContact O-N 3.29Å; N144-L148 WeakPolarHBondContact O-CB 3.46Å; N144-L148 WeakPolarHBondContact O-CD1 3.37Å; N144-L148 WeakPolarHBondContact O-CG 3.36Å; N144-L148 PolarHBondContact O-N 3.14Å
145L97.2Very high94.9Very high15 Ų1582.6 Ų82.68%0.07940%0.404CS..Hα-helixtrans-58.8-45.9175-17959.7000111.3L124 T128 L137 E141 A142 K147 L148 Q149 W156L124-L145 HydrophobicContact CB-CB 4.36Å; L124-L145 HydrophobicContact CB-CD1 3.92Å; L124-L145 HydrophobicContact CD1-CB 4.03Å; T128-L145 HydrophobicContact CG2-CD2 3.63Å; L137-L145 HydrophobicContact CD1-CB 4.3Å; L137-L145 HydrophobicContact CD1-CD2 3.59Å; E141-L145 WeakPolarHBondContact O-CB 3.5Å; E141-L145 PolarHBondContact O-N 3.27Å; A142-L145 PolarHBondContact O-N 3.48Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.5Å; L145-L148 PolarHBondContact O-N 3.49Å; L145-Q149 HydrophobicContact CD1-CG 4.35Å; L145-Q149 HydrophobicContact CG-CG 4.5Å; L145-Q149 WeakPolarHBondContact O-CB 3.34Å; L145-Q149 WeakPolarHBondContact O-CG 3.45Å; L145-Q149 PolarHBondContact O-N 2.94Å; L145-W156 HydrophobicContact CD1-CH2 3.53Å; L145-W156 HydrophobicContact CD1-CZ2 4.22Å; L145-W156 HydrophobicContact CD1-CZ3 4.45Å
146A97.8Very high95.9Very high54 Ų5483.5 Ų83.545%0.44640%0.404SS..Hα-helixtrans-61.1-41.1177.300000112.3A142 E143 N144 K150A142-A146 PolarHBondContact O-N 3.24Å; E143-A146 PolarHBondContact O-N 3.29Å; N144-A146 PolarHBondContact O-N 2.82Å; A146-K150 PolarHBondContact O-N 3.02Å; A146-K150 VanDerWaalsContact O-N 3.13Å
147K97.7Very high96.5Very high117 Ų11784.1 Ų84.151%0.50941%0.408SS..Hα-helixtrans-62.3-44.2174.2-69.3163.9-167157.40111.2E143 N144 L145 K150 M151E143-K147 VanDerWaalsContact O-CG 3.3Å; E143-K147 WeakPolarHBondContact O-CG 3.35Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 IonicContact OE2-NZ 2.69Å; E143-K147 PolarHBondContact OE2-NZ 2.91Å; N144-K147 PolarHBondContact O-N 3.29Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.5Å; K147-K150 PolarHBondContact O-N 3.31Å; K147-M151 WeakPolarHBondContact O-CB 3.27Å; K147-M151 PolarHBondContact O-N 2.8Å
148L97.9Very high96.8Very high11 Ų1188.9 Ų88.96%0.05843%0.427CS..Hα-helixtrans-67.9-40179.5-67.1164.7000112.2N117 Y120 A121 L124 N144 L145 K150 M151 F152N117-L148 HydrophobicContact CB-CD2 3.8Å; Y120-L148 HydrophobicContact CD1-CD1 3.76Å; Y120-L148 HydrophobicContact CE1-CD1 4.33Å; Y120-L148 HydrophobicContact CG-CD1 4.46Å; A121-L148 HydrophobicContact CB-CB 4.09Å; A121-L148 HydrophobicContact CB-CD1 4.03Å; A121-L148 HydrophobicContact CB-CG 4.45Å; L124-L148 HydrophobicContact CD1-CD1 4.03Å; N144-L148 WeakPolarHBondContact O-CB 3.46Å; N144-L148 WeakPolarHBondContact O-CD1 3.37Å; N144-L148 WeakPolarHBondContact O-CG 3.36Å; N144-L148 PolarHBondContact O-N 3.14Å; L145-L148 PolarHBondContact O-N 3.49Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.29Å; L148-M151 PolarHBondContact O-N 3.22Å; L148-F152 HydrophobicContact CB-CD2 4.36Å; L148-F152 HydrophobicContact CD2-CD2 4.37Å; L148-F152 HydrophobicContact CD2-CE2 3.8Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 3.03Å
149Q97.4Very high96.9Very high80 Ų8084.4 Ų84.437%0.37441%0.406SS..Hα-helixtrans-59-42.7173.4-79.3178.5-17.600111.9L145 C153 W156L145-Q149 HydrophobicContact CD1-CG 4.35Å; L145-Q149 HydrophobicContact CG-CG 4.5Å; L145-Q149 WeakPolarHBondContact O-CB 3.34Å; L145-Q149 WeakPolarHBondContact O-CG 3.45Å; L145-Q149 PolarHBondContact O-N 2.94Å; Q149-C153 VanDerWaalsContact O-CA 3.32Å; Q149-C153 WeakPolarHBondContact O-CA 3.25Å; Q149-C153 PolarHBondContact O-N 3.11Å; Q149-W156 HydrophobicContact CB-CE3 4.3Å; Q149-W156 HydrophobicContact CB-CZ3 4.27Å; Q149-W156 HydrophobicContact CG-CD2 3.89Å; Q149-W156 HydrophobicContact CG-CE3 3.73Å; Q149-W156 HydrophobicContact CG-CH2 3.34Å; Q149-W156 HydrophobicContact CG-CZ2 3.46Å; Q149-W156 VanDerWaalsContact CG-CZ2 3.46Å; Q149-W156 HydrophobicContact CG-CZ3 3.45Å; Q149-W156 VanDerWaalsContact CG-CZ3 3.45Å; Q149-W156 VanDerWaalsContact NE2-CZ2 3.29Å
150K97.6Very high97.1Very high176 Ų17682.4 Ų82.477%0.76539%0.391SS*.Hα-helixtrans-64.9-44.8174.5-172.4177-179.7178.40111.6A146 K147 L148A146-K150 PolarHBondContact O-N 3.02Å; A146-K150 VanDerWaalsContact O-N 3.13Å; K147-K150 PolarHBondContact O-N 3.31Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.29Å
151M96.9Very high97.2Very high115 Ų11585.3 Ų85.357%0.56741%0.406SS*.Hα-helixtrans-63.5-41.1180-173.3179.9-64.100112.5K147 L148K147-M151 WeakPolarHBondContact O-CB 3.27Å; K147-M151 PolarHBondContact O-N 2.8Å; L148-M151 PolarHBondContact O-N 3.22Å
152F97.1Very high97.2Very high38 Ų3889.2 Ų89.217%0.16742%0.424CS..THydrogen-bonded Turntrans-106.724.6-175.3-58.9-56.5000113.7N117 A121 L148 R154 K155 W156 I159N117-F152 HydrophobicContact CB-CE2 3.97Å; N117-F152 HydrophobicContact CB-CZ 3.84Å; A121-F152 HydrophobicContact CB-CD2 4.26Å; A121-F152 HydrophobicContact CB-CE2 4.38Å; L148-F152 HydrophobicContact CB-CD2 4.36Å; L148-F152 HydrophobicContact CD2-CD2 4.37Å; L148-F152 HydrophobicContact CD2-CE2 3.8Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 3.03Å; F152-R154 PolarHBondContact O-N 3.34Å; F152-K155 CarbonylContact O-C 3.33Å; F152-K155 PolarHBondContact O-N 2.74Å; F152-W156 PolarHBondContact O-N 3Å; F152-I159 HydrophobicContact CB-CD1 3.61Å; F152-I159 HydrophobicContact CD2-CD1 3.82Å; F152-I159 HydrophobicContact CG-CD1 3.85Å
153C96.6Very high97.2Very high88 Ų8887.1 Ų87.160%0.59541%0.407SS*.THydrogen-bonded Turntrans-49.4-38.1-174.557.60000114.6Q149Q149-C153 VanDerWaalsContact O-CA 3.32Å; Q149-C153 WeakPolarHBondContact O-CA 3.25Å; Q149-C153 PolarHBondContact O-N 3.11Å
154R96.8Very high97.2Very high237 Ų23785.1 Ų85.189%0.89440%0.398SS*.THydrogen-bonded Turntrans-78.6-17.8178.8-66.9-176.1176.1169.8-1.2114.9F152F152-R154 PolarHBondContact O-N 3.34Å
155K96Very high97.3Very high140 Ų14085.7 Ų85.761%0.60941%0.408SS*.THydrogen-bonded Turntrans-113.83.5-178.4-65-175.6178.7-177.50112.4F152 E157 F158 I159F152-K155 CarbonylContact O-C 3.33Å; F152-K155 PolarHBondContact O-N 2.74Å; K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 PolarHBondContact O-N 3.4Å; K155-F158 HydrophobicContact CB-CD2 4.46Å; K155-F158 WeakPolarHBondContact O-CB 3.43Å; K155-F158 PolarHBondContact O-N 3.35Å; K155-I159 PolarHBondContact O-N 2.92Å
156W97.3Very high97.2Very high52 Ų5288 Ų8820%0.19742%0.419CS..Hα-helixtrans-59.5-37-172-171.2-104.1000112.8A121 C125 L145 Q149 F152 F158 I159 F160A121-W156 HydrophobicContact CB-CZ3 4.32Å; C125-W156 HydrophobicContact CB-CH2 4.27Å; C125-W156 HydrophobicContact CB-CZ2 4.31Å; L145-W156 HydrophobicContact CD1-CH2 3.53Å; L145-W156 HydrophobicContact CD1-CZ2 4.22Å; L145-W156 HydrophobicContact CD1-CZ3 4.45Å; Q149-W156 HydrophobicContact CB-CE3 4.3Å; Q149-W156 HydrophobicContact CB-CZ3 4.27Å; Q149-W156 HydrophobicContact CG-CD2 3.89Å; Q149-W156 HydrophobicContact CG-CE3 3.73Å; Q149-W156 HydrophobicContact CG-CH2 3.34Å; Q149-W156 HydrophobicContact CG-CZ2 3.46Å; Q149-W156 VanDerWaalsContact CG-CZ2 3.46Å; Q149-W156 HydrophobicContact CG-CZ3 3.45Å; Q149-W156 VanDerWaalsContact CG-CZ3 3.45Å; Q149-W156 VanDerWaalsContact NE2-CZ2 3.29Å; F152-W156 PolarHBondContact O-N 3Å; W156-F158 VanDerWaalsContact C-N 3.29Å; W156-F158 PolarHBondContact O-N 2.98Å; W156-I159 HydrophobicContact CE3-CB 4.44Å; W156-I159 HydrophobicContact CE3-CD1 4.06Å; W156-I159 HydrophobicContact CE3-CG2 4.38Å; W156-I159 HydrophobicContact CH2-CG2 4.26Å; W156-I159 HydrophobicContact CZ3-CD1 4.23Å; W156-I159 HydrophobicContact CZ3-CG2 4.06Å; W156-I159 PolarHBondContact O-N 3.34Å; W156-F160 WeakPolarHBondContact O-CB 3.5Å; W156-F160 PolarHBondContact O-N 3.47Å
157E97.2Very high97Very high143 Ų14387.9 Ų87.967%0.66841%0.407SS*.Hα-helixtrans-59.2-39.6176.2-165.8178.5-178.800112.1K155 F160 M161K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 PolarHBondContact O-N 3.4Å; E157-F160 PolarHBondContact O-N 2.88Å; E157-M161 HydrophobicContact CG-CE 4.19Å; E157-M161 WeakPolarHBondContact O-CB 3.28Å; E157-M161 VanDerWaalsContact O-CG 3.32Å; E157-M161 WeakPolarHBondContact O-CG 3.47Å; E157-M161 PolarHBondContact O-N 3.14Å
158F97.5Very high96.9Very high134 Ų13487.5 Ų87.559%0.58841%0.405SS*.Hα-helixtrans-67.6-41175.5-62.2-75.2000112.4K155 W156 F160 M161 Q162K155-F158 HydrophobicContact CB-CD2 4.46Å; K155-F158 WeakPolarHBondContact O-CB 3.43Å; K155-F158 PolarHBondContact O-N 3.35Å; W156-F158 VanDerWaalsContact C-N 3.29Å; W156-F158 PolarHBondContact O-N 2.98Å; F158-F160 VanDerWaalsContact C-N 3.34Å; F158-M161 HydrophobicContact CB-CE 4.46Å; F158-M161 HydrophobicContact CD1-CE 3.53Å; F158-M161 HydrophobicContact CE1-CE 4Å; F158-M161 HydrophobicContact CG-CE 4.16Å; F158-M161 PolarHBondContact O-N 3.44Å; F158-Q162 WeakPolarHBondContact O-CB 3.17Å; F158-Q162 PolarHBondContact O-N 3.49Å
159I97.2Very high96.7Very high6 Ų690.8 Ų90.83%0.03143%0.426CS..Hα-helixtrans-60.8-46175.1-66.9172.9000109.9T118 A121 V122 C125 F152 K155 W156 Q162 A163T118-I159 HydrophobicContact CG2-CG1 4.39Å; A121-I159 HydrophobicContact CB-CD1 4.08Å; A121-I159 HydrophobicContact CB-CG2 4.05Å; V122-I159 HydrophobicContact CG2-CG2 3.91Å; C125-I159 HydrophobicContact CB-CG2 4.44Å; F152-I159 HydrophobicContact CB-CD1 3.61Å; F152-I159 HydrophobicContact CD2-CD1 3.82Å; F152-I159 HydrophobicContact CG-CD1 3.85Å; K155-I159 PolarHBondContact O-N 2.92Å; W156-I159 HydrophobicContact CE3-CB 4.44Å; W156-I159 HydrophobicContact CE3-CD1 4.06Å; W156-I159 HydrophobicContact CE3-CG2 4.38Å; W156-I159 HydrophobicContact CH2-CG2 4.26Å; W156-I159 HydrophobicContact CZ3-CD1 4.23Å; W156-I159 HydrophobicContact CZ3-CG2 4.06Å; W156-I159 PolarHBondContact O-N 3.34Å; I159-Q162 PolarHBondContact O-N 3.44Å; I159-A163 WeakPolarHBondContact O-CB 3.27Å; I159-A163 PolarHBondContact O-N 3.43Å
160F97.6Very high96.5Very high95 Ų9587.6 Ų87.642%0.41741%0.411SS..Hα-helixtrans-62.4-46.5177.7-176.5-88.8000112M129 W156 E157 F158 Q162 A163 E164M129-F160 HydrophobicContact CE-CD2 3.77Å; M129-F160 HydrophobicContact CE-CE1 4.39Å; M129-F160 HydrophobicContact CE-CE2 3.53Å; M129-F160 HydrophobicContact CE-CG 4.31Å; M129-F160 HydrophobicContact CE-CZ 3.87Å; W156-F160 WeakPolarHBondContact O-CB 3.5Å; W156-F160 PolarHBondContact O-N 3.47Å; E157-F160 PolarHBondContact O-N 2.88Å; F158-F160 VanDerWaalsContact C-N 3.34Å; F160-Q162 VanDerWaalsContact C-N 3.31Å; F160-Q162 PolarHBondContact O-N 3.4Å; F160-A163 PolarHBondContact O-N 3.46Å; F160-E164 WeakPolarHBondContact O-CB 3.19Å; F160-E164 PolarHBondContact O-N 3.1Å
161M97.7Very high96.2Very high88 Ų8885.6 Ų85.643%0.43340%0.403SS..Hα-helixtrans-59-41.7176.3-76.3-172.8-71.500112E157 F158 A165E157-M161 HydrophobicContact CG-CE 4.19Å; E157-M161 WeakPolarHBondContact O-CB 3.28Å; E157-M161 VanDerWaalsContact O-CG 3.32Å; E157-M161 WeakPolarHBondContact O-CG 3.47Å; E157-M161 PolarHBondContact O-N 3.14Å; F158-M161 HydrophobicContact CB-CE 4.46Å; F158-M161 HydrophobicContact CD1-CE 3.53Å; F158-M161 HydrophobicContact CE1-CE 4Å; F158-M161 HydrophobicContact CG-CE 4.16Å; F158-M161 PolarHBondContact O-N 3.44Å; M161-A165 WeakPolarHBondContact O-CB 3.49Å; M161-A165 PolarHBondContact O-N 2.99Å
162Q97.7Very high96Very high83 Ų8388.8 Ų88.839%0.38841%0.413SS..Hα-helixtrans-66.3-44.9177.2-174.9175.9-19.900111.8V122 F158 I159 F160 E164 A165 Q166V122-Q162 HydrophobicContact CG1-CB 4.46Å; V122-Q162 HydrophobicContact CG1-CG 4Å; V122-Q162 HydrophobicContact CG2-CB 4.23Å; V122-Q162 HydrophobicContact CG2-CG 4.12Å; F158-Q162 WeakPolarHBondContact O-CB 3.17Å; F158-Q162 PolarHBondContact O-N 3.49Å; I159-Q162 PolarHBondContact O-N 3.44Å; F160-Q162 VanDerWaalsContact C-N 3.31Å; F160-Q162 PolarHBondContact O-N 3.4Å; Q162-E164 PolarHBondContact O-N 2.86Å; Q162-A165 PolarHBondContact O-N 2.9Å; Q162-Q166 WeakPolarHBondContact O-CG 3.43Å; Q162-Q166 PolarHBondContact O-N 3.42Å
163A96.9Very high95.8Very high0 Ų091.5 Ų91.50%042%0.422CS..Hα-helixtrans-61-43.117600000111.9V122 C125 K126 M129 I159 F160 Q166 Y167V122-A163 HydrophobicContact CG1-CB 4.19Å; C125-A163 HydrophobicContact CB-CB 3.9Å; K126-A163 HydrophobicContact CB-CB 4.09Å; M129-A163 HydrophobicContact CE-CB 3.85Å; I159-A163 WeakPolarHBondContact O-CB 3.27Å; I159-A163 PolarHBondContact O-N 3.43Å; F160-A163 PolarHBondContact O-N 3.46Å; A163-Q166 PolarHBondContact O-N 3.35Å; A163-Y167 WeakPolarHBondContact O-CB 3.23Å; A163-Y167 PolarHBondContact O-N 2.86Å
164E97.1Very high95.7Very high73 Ų7392 Ų9234%0.34142%0.419SS..Hα-helixtrans-65.6-40.2178.6-161.1-155.1-167.800111.7M129 F160 Q162 Y167 K168M129-E164 HydrophobicContact CE-CB 3.96Å; M129-E164 HydrophobicContact SD-CB 4.22Å; M129-E164 HydrophobicContact SD-CG 4.42Å; F160-E164 WeakPolarHBondContact O-CB 3.19Å; F160-E164 PolarHBondContact O-N 3.1Å; Q162-E164 PolarHBondContact O-N 2.86Å; E164-Y167 PolarHBondContact O-N 3.23Å; E164-K168 HydrophobicContact CG-CD 4.48Å; E164-K168 WeakPolarHBondContact O-CB 3.23Å; E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.37Å; E164-K168 PolarHBondContact O-N 3.32Å; E164-K168 VanDerWaalsContact OE1-CE 3.3Å; E164-K168 WeakPolarHBondContact OE1-CE 3.34Å; E164-K168 IonicContact OE1-NZ 3.85Å; E164-K168 PolarHBondContact OE1-NZ 3.18Å; E164-K168 IonicContact OE2-NZ 3.36Å; E164-K168 PolarHBondContact OE2-NZ 3.31Å
165A97.3Very high95.4Very high54 Ų5488.9 Ų88.945%0.44641%0.407SS..Hα-helixtrans-61.9-44.6175.400000111.7M161 Q162 K168 V169M161-A165 WeakPolarHBondContact O-CB 3.49Å; M161-A165 PolarHBondContact O-N 2.99Å; Q162-A165 PolarHBondContact O-N 2.9Å; A165-K168 PolarHBondContact O-N 3.25Å; A165-V169 WeakPolarHBondContact O-CG2 3.49Å; A165-V169 PolarHBondContact O-N 3.04Å
166Q95.6Very high95.2Very high64 Ų6484.5 Ų84.530%0.29939%0.39SS..Hα-helixtrans-64.3-45.9175.3-70.1-177.78.700111.7K126 Q162 A163 K168 V169 D170K126-Q166 HydrophobicContact CD-CB 3.79Å; Q162-Q166 WeakPolarHBondContact O-CG 3.43Å; Q162-Q166 PolarHBondContact O-N 3.42Å; A163-Q166 PolarHBondContact O-N 3.35Å; Q166-K168 VanDerWaalsContact C-N 3.29Å; Q166-K168 PolarHBondContact O-N 2.64Å; Q166-V169 WeakPolarHBondContact O-CA 3.39Å; Q166-V169 WeakPolarHBondContact O-CB 3.33Å; Q166-V169 PolarHBondContact O-N 3.39Å; Q166-D170 PolarHBondContact O-N 3.02Å
167Y94.3Very high95Very high52 Ų5286.8 Ų86.820%0.20440%0.403CS..Hα-helixtrans-56.5-41.8176.3178.6-99.2000112.6M129 H130 A163 E164 V169 D170 K171M129-Y167 HydrophobicContact CB-CD2 3.99Å; M129-Y167 HydrophobicContact CB-CE2 4.12Å; M129-Y167 HydrophobicContact CB-CG 4.21Å; M129-Y167 PolarHBondContact O-OH 2.97Å; M129-Y167 HydrophobicContact SD-CG 4.3Å; H130-Y167 AromaticContact CD2-CD2 3.98Å; H130-Y167 AromaticContact CD2-CE2 3.86Å; H130-Y167 AromaticContact CE1-CE2 3.94Å; H130-Y167 AromaticContact NE2-CD2 3.63Å; H130-Y167 AromaticContact NE2-CE2 3.75Å; A163-Y167 WeakPolarHBondContact O-CB 3.23Å; A163-Y167 PolarHBondContact O-N 2.86Å; E164-Y167 PolarHBondContact O-N 3.23Å; Y167-V169 VanDerWaalsContact C-N 3.31Å; Y167-V169 PolarHBondContact O-N 3.22Å; Y167-D170 PolarHBondContact O-N 3.19Å; Y167-K171 HydrophobicContact CE1-CD 4.35Å; Y167-K171 WeakPolarHBondContact O-CB 3.45Å; Y167-K171 PolarHBondContact O-N 3.42Å
168K95.2Very high94.8Very high108 Ų10882.1 Ų82.147%0.4738%0.379SS..Hα-helixtrans-63.6-34.6176-76.9168.7-179.21630112.4E164 A165 Q166E164-K168 HydrophobicContact CG-CD 4.48Å; E164-K168 WeakPolarHBondContact O-CB 3.23Å; E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.37Å; E164-K168 PolarHBondContact O-N 3.32Å; E164-K168 VanDerWaalsContact OE1-CE 3.3Å; E164-K168 WeakPolarHBondContact OE1-CE 3.34Å; E164-K168 IonicContact OE1-NZ 3.85Å; E164-K168 PolarHBondContact OE1-NZ 3.18Å; E164-K168 IonicContact OE2-NZ 3.36Å; E164-K168 PolarHBondContact OE2-NZ 3.31Å; A165-K168 PolarHBondContact O-N 3.25Å; Q166-K168 VanDerWaalsContact C-N 3.29Å; Q166-K168 PolarHBondContact O-N 2.64Å
169V94.6Very high94.5Very high81 Ų8179.4 Ų79.449%0.49137%0.369SS..Hα-helixtrans-70.7-47.3174.2173.70000110.4A165 Q166 Y167 K171 K172A165-V169 WeakPolarHBondContact O-CG2 3.49Å; A165-V169 PolarHBondContact O-N 3.04Å; Q166-V169 WeakPolarHBondContact O-CA 3.39Å; Q166-V169 WeakPolarHBondContact O-CB 3.33Å; Q166-V169 PolarHBondContact O-N 3.39Å; Y167-V169 VanDerWaalsContact C-N 3.31Å; Y167-V169 PolarHBondContact O-N 3.22Å; V169-K171 VanDerWaalsContact C-N 3.27Å; V169-K171 PolarHBondContact O-N 3.48Å; V169-K172 WeakPolarHBondContact O-CB 3.23Å; V169-K172 PolarHBondContact O-N 3.01Å; V169-K172 VanDerWaalsContact O-N 3.08Å
170D92.3Very high94.3Very high12 Ų1280.8 Ų80.86%0.06438%0.376CS..Hα-helixtrans-61.5-36.3-179.1-68.6-26.1000111.8K126 Q166 Y167 K172 R173K126-D170 IonicContact NZ-OD2 2.82Å; K126-D170 PolarHBondContact NZ-OD2 2.86Å; Q166-D170 PolarHBondContact O-N 3.02Å; Y167-D170 PolarHBondContact O-N 3.19Å; D170-K172 PolarHBondContact O-N 3.2Å; D170-R173 WeakPolarHBondContact O-CB 3.46Å; D170-R173 PolarHBondContact O-N 2.83Å; D170-R173 IonicContact OD1-CZ 3.94Å; D170-R173 IonicContact OD1-NH1 3.59Å; D170-R173 PolarHBondContact OD1-NH1 3.1Å
171K91.2Very high94.2Very high135 Ų13578.7 Ų78.759%0.58737%0.368SS*.THydrogen-bonded Turntrans-65-19.9177.2-167.2173.9179.6177.30114.3Y167 V169Y167-K171 HydrophobicContact CE1-CD 4.35Å; Y167-K171 WeakPolarHBondContact O-CB 3.45Å; Y167-K171 PolarHBondContact O-N 3.42Å; V169-K171 VanDerWaalsContact C-N 3.27Å; V169-K171 PolarHBondContact O-N 3.48Å
172K94Very high93.9Very high181 Ų18176 Ų7679%0.78736%0.356SS*.THydrogen-bonded Turntrans-80.5-15.8177.6-66.4176.4-177.7-179.30113.3V169 D170V169-K172 WeakPolarHBondContact O-CB 3.23Å; V169-K172 PolarHBondContact O-N 3.01Å; V169-K172 VanDerWaalsContact O-N 3.08Å; D170-K172 PolarHBondContact O-N 3.2Å
173R92.9Very high93.8Very high96 Ų9672.7 Ų72.736%0.36234%0.342SS..SBendtrans-76.3160179.6-63.8-178.7169.2147.5-9.4111.6D170 R178 L181D170-R173 WeakPolarHBondContact O-CB 3.46Å; D170-R173 PolarHBondContact O-N 2.83Å; D170-R173 IonicContact OD1-CZ 3.94Å; D170-R173 IonicContact OD1-NH1 3.59Å; D170-R173 PolarHBondContact OD1-NH1 3.1Å; R173-R178 HydrophobicContact CB-CB 4.36Å; R173-L181 VanDerWaalsContact CZ-CD1 3.49Å
174D93.8Very high93.8Very high98 Ų9873.9 Ų73.952%0.52435%0.347SS..  trans-59.6150.1171.9178.261.7000110.8L176 E177 R178D174-L176 VanDerWaalsContact C-N 3.31Å; D174-L176 PolarHBondContact O-N 3.47Å; D174-L176 WeakPolarHBondContact OD2-CB 3.41Å; D174-L176 PolarHBondContact OD2-N 3.13Å; D174-E177 HydrophobicContact CB-CB 4.25Å; D174-E177 PolarHBondContact O-N 3.14Å; D174-R178 WeakPolarHBondContact O-CB 3.17Å; D174-R178 PolarHBondContact O-N 2.92Å
175R90.7Very high93.8Very high171 Ų17172.2 Ų72.265%0.64534%0.34SS*.Hα-helixtrans-57.8-43.2-177.1178.4-179.1173.2179.2-1.2112.3Q179R175-Q179 PolarHBondContact O-N 3.46Å
176L91.2Very high93.7Very high48 Ų4870.9 Ų70.925%0.25132%0.323SS..Hα-helixtrans-73.1-43.2-177.1-66.1177.7000110.7K44 P46 D174 R178 Q179 I180K44-L176 HydrophobicContact CD-CD1 4.21Å; P46-L176 HydrophobicContact CG-CB 4.41Å; P46-L176 HydrophobicContact CG-CD2 4.38Å; D174-L176 VanDerWaalsContact C-N 3.31Å; D174-L176 PolarHBondContact O-N 3.47Å; D174-L176 WeakPolarHBondContact OD2-CB 3.41Å; D174-L176 PolarHBondContact OD2-N 3.13Å; L176-R178 PolarHBondContact O-N 3.45Å; L176-Q179 WeakPolarHBondContact O-CB 3.34Å; L176-Q179 PolarHBondContact O-N 3.06Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 2.92Å
177E93.5Very high93.8Very high100 Ų10067.9 Ų67.947%0.46731%0.309SS..Hα-helixtrans-59.2-47.3176.5-174.7-176.8-170.900111.5D174 Q179 I180 L181D174-E177 HydrophobicContact CB-CB 4.25Å; D174-E177 PolarHBondContact O-N 3.14Å; E177-Q179 VanDerWaalsContact C-N 3.32Å; E177-Q179 PolarHBondContact O-N 3.29Å; E177-I180 PolarHBondContact O-N 3.38Å; E177-I180 VanDerWaalsContact O-N 3.15Å; E177-L181 HydrophobicContact CG-CD1 4.03Å; E177-L181 WeakPolarHBondContact O-CG 3.37Å; E177-L181 PolarHBondContact O-N 3.26Å
178R92.5Very high93.9Very high45 Ų4565.9 Ų65.917%0.1730%0.302CS..Hα-helixtrans-57.8-43.3175.6179.2178.753.3-166.4-14.1111.9R173 D174 L176 I180 L181 D182R173-R178 HydrophobicContact CB-CB 4.36Å; D174-R178 WeakPolarHBondContact O-CB 3.17Å; D174-R178 PolarHBondContact O-N 2.92Å; L176-R178 PolarHBondContact O-N 3.45Å; R178-I180 VanDerWaalsContact C-N 3.27Å; R178-I180 PolarHBondContact O-N 3.34Å; R178-L181 PolarHBondContact O-N 2.76Å; R178-D182 WeakPolarHBondContact CG-OD2 3.31Å; R178-D182 WeakPolarHBondContact O-CB 3.49Å; R178-D182 PolarHBondContact O-N 3.44Å
179Q90.7Very high94Very high78 Ų7861.3 Ų61.336%0.36428%0.281SS..Hα-helixtrans-59.3-38.4178.2-176.5-179.7-4.100112.3R175 L176 E177 S183R175-Q179 PolarHBondContact O-N 3.46Å; L176-Q179 WeakPolarHBondContact O-CB 3.34Å; L176-Q179 PolarHBondContact O-N 3.06Å; E177-Q179 VanDerWaalsContact C-N 3.32Å; E177-Q179 PolarHBondContact O-N 3.29Å; Q179-S183 PolarHBondContact O-N 3.48Å; Q179-S183 PolarHBondContact O-OG 3.17Å
180I93.8Very high94.1Very high35 Ų3557.7 Ų57.718%0.17926%0.259CS..Hα-helixtrans-66.3-50.9176.5-60.3-176.4000110.1P46 R101 L176 E177 R178 D182 S183 Q184P46-I180 HydrophobicContact CB-CD1 4.25Å; P46-I180 HydrophobicContact CG-CD1 3.82Å; P46-I180 HydrophobicContact CG-CG1 3.92Å; R101-I180 VanDerWaalsContact NH1-CG1 3.33Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 2.92Å; E177-I180 PolarHBondContact O-N 3.38Å; E177-I180 VanDerWaalsContact O-N 3.15Å; R178-I180 VanDerWaalsContact C-N 3.27Å; R178-I180 PolarHBondContact O-N 3.34Å; I180-D182 PolarHBondContact O-N 2.85Å; I180-S183 PolarHBondContact O-N 2.8Å; I180-S183 PolarHBondContact O-OG 2.86Å; I180-Q184 HydrophobicContact CG2-CG 4.41Å; I180-Q184 WeakPolarHBondContact O-CG 3.37Å; I180-Q184 PolarHBondContact O-N 3.01Å
181L94.7Very high94.3Very high50 Ų5057.4 Ų57.426%0.26226%0.257SS..Hα-helixtrans-63.1-42.7-176.8-67.7171.7000112.2R173 E177 R178 S183 Q184 E185R173-L181 VanDerWaalsContact CZ-CD1 3.49Å; E177-L181 HydrophobicContact CG-CD1 4.03Å; E177-L181 WeakPolarHBondContact O-CG 3.37Å; E177-L181 PolarHBondContact O-N 3.26Å; R178-L181 PolarHBondContact O-N 2.76Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 2.79Å; L181-Q184 PolarHBondContact O-N 2.73Å; L181-E185 PolarHBondContact O-N 3.13Å
182D93.2Very high94.6Very high31 Ų3151.6 Ų51.617%0.16623%0.232CC..Hα-helixtrans-59.9-42.3175.7-66-7.9000110.5H130 R178 I180 R186H130-D182 IonicContact CE1-OD2 3.72Å; R178-D182 WeakPolarHBondContact CG-OD2 3.31Å; R178-D182 WeakPolarHBondContact O-CB 3.49Å; R178-D182 PolarHBondContact O-N 3.44Å; I180-D182 PolarHBondContact O-N 2.85Å; D182-R186 WeakPolarHBondContact O-CB 3.19Å; D182-R186 PolarHBondContact O-N 3.27Å
183S94.6Very high94.6Very high14 Ų1445.8 Ų45.810%0.09821%0.206CC..Hα-helixtrans-68.9-34.1177.572.70000113.5F84 R101 Q179 I180 L181 A187F84-S183 WeakPolarHBondContact CE2-O 3.22Å; R101-S183 PolarHBondContact NE-OG 3.1Å; Q179-S183 PolarHBondContact O-N 3.48Å; Q179-S183 PolarHBondContact O-OG 3.17Å; I180-S183 PolarHBondContact O-N 2.8Å; I180-S183 PolarHBondContact O-OG 2.86Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 2.79Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 3.28Å
184Q97Very high94.8Very high25 Ų2542.8 Ų42.812%0.11720%0.198CC..Hα-helixtrans-70-42.2176.4-77178.8-20.700111.8F84 Q103 F107 I180 L181 A187 F188F84-Q184 HydrophobicContact CE1-CG 4.18Å; F84-Q184 HydrophobicContact CZ-CB 4.33Å; F84-Q184 HydrophobicContact CZ-CG 3.75Å; Q103-Q184 PolarHBondContact NE2-O 3.23Å; Q103-Q184 VanDerWaalsContact OE1-CB 3.3Å; F107-Q184 HydrophobicContact CD2-CB 4.37Å; F107-Q184 HydrophobicContact CE2-CB 4.36Å; I180-Q184 HydrophobicContact CG2-CG 4.41Å; I180-Q184 WeakPolarHBondContact O-CG 3.37Å; I180-Q184 PolarHBondContact O-N 3.01Å; L181-Q184 PolarHBondContact O-N 2.73Å; Q184-A187 PolarHBondContact O-N 3.34Å; Q184-F188 PolarHBondContact O-N 3.12Å
185E96.4Very high94.8Very high39 Ų3940 Ų4018%0.18219%0.185CC..Hα-helixtrans-66.1-40.6174.5-170.6177.8-166.100111.2Y123 K126 L181 A187 F188 W189Y123-E185 HydrophobicContact CD2-CG 3.95Å; Y123-E185 HydrophobicContact CE2-CG 4.06Å; K126-E185 IonicContact NZ-OE1 3.68Å; K126-E185 PolarHBondContact NZ-OE1 3.15Å; K126-E185 IonicContact NZ-OE2 3.96Å; K126-E185 PolarHBondContact NZ-OE2 3.21Å; L181-E185 PolarHBondContact O-N 3.13Å; E185-A187 PolarHBondContact O-N 3.24Å; E185-F188 WeakPolarHBondContact O-CB 3.49Å; E185-F188 PolarHBondContact O-N 3.46Å; E185-W189 PolarHBondContact O-N 3.4Å; E185-W189 VanDerWaalsContact O-N 3.13Å
186R95.8Very high95.1Very high26 Ų2636.5 Ų36.510%0.09819%0.185CC..Hα-helixtrans-56.1-51.8172.2-179.3-176.861.977.9-12.6111.5P85 I86 D88 Y123 D182 F188 W189 D190P85-R186 PolarHBondContact O-NH2 3.5Å; I86-R186 VanDerWaalsContact C-NH2 3.26Å; I86-R186 PolarHBondContact O-NH2 3.04Å; D88-R186 PolarHBondContact O-NH1 3.42Å; Y123-R186 WeakPolarHBondContact OH-CA 3.24Å; D182-R186 WeakPolarHBondContact O-CB 3.19Å; D182-R186 PolarHBondContact O-N 3.27Å; R186-F188 VanDerWaalsContact C-N 3.26Å; R186-F188 PolarHBondContact O-N 2.85Å; R186-W189 CarbonylContact O-C 3.6Å; R186-W189 WeakPolarHBondContact O-CA 3.49Å; R186-W189 PolarHBondContact O-N 3.43Å; R186-D190 IonicContact CZ-OD2 2.74Å; R186-D190 IonicContact NH1-OD2 2.69Å; R186-D190 PolarHBondContact NH1-OD2 3.04Å; R186-D190 VanDerWaalsContact O-CG 3.3Å; R186-D190 PolarHBondContact O-N 2.69Å
187A97.4Very high95.2Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-63.6-30-179.400000113.8F84 S183 Q184 E185 L191F84-A187 HydrophobicContact CB-CB 3.64Å; F84-A187 HydrophobicContact CD1-CB 3.24Å; F84-A187 HydrophobicContact CD2-CB 3.63Å; F84-A187 HydrophobicContact CE1-CB 3.64Å; F84-A187 HydrophobicContact CE2-CB 4Å; F84-A187 HydrophobicContact CG-CB 3.21Å; F84-A187 HydrophobicContact CZ-CB 4Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 3.28Å; Q184-A187 PolarHBondContact O-N 3.34Å; E185-A187 PolarHBondContact O-N 3.24Å; A187-L191 PolarHBondContact O-N 3.08Å
188F97.6Very high95.1Very high11 Ų1135.4 Ų35.45%0.04821%0.208CC..Hα-helixtrans-62.7-44.9170.2168.3-95.5000111F107 W113 P115 Q184 E185 R186 L191 H192F107-F188 HydrophobicContact CB-CB 4.2Å; F107-F188 HydrophobicContact CB-CD2 3.93Å; F107-F188 HydrophobicContact CB-CG 4.45Å; F107-F188 HydrophobicContact CD1-CB 3.92Å; F107-F188 HydrophobicContact CD1-CD1 4.4Å; F107-F188 AromaticContact CD1-CD2 3.39Å; F107-F188 HydrophobicContact CD1-CD2 3.39Å; F107-F188 AromaticContact CD1-CE2 3.96Å; F107-F188 HydrophobicContact CD1-CE2 3.96Å; F107-F188 AromaticContact CD1-CG 3.64Å; F107-F188 HydrophobicContact CD1-CG 3.64Å; F107-F188 HydrophobicContact CD2-CB 4.23Å; F107-F188 HydrophobicContact CE1-CB 4.3Å; F107-F188 HydrophobicContact CE1-CD1 4.37Å; F107-F188 HydrophobicContact CE1-CD2 4.14Å; F107-F188 HydrophobicContact CE1-CG 4.01Å; F107-F188 HydrophobicContact CG-CB 3.89Å; F107-F188 AromaticContact CG-CD2 3.9Å; F107-F188 HydrophobicContact CG-CD2 3.9Å; F107-F188 HydrophobicContact CG-CG 4.1Å; W113-F188 HydrophobicContact CB-CE2 3.99Å; W113-F188 HydrophobicContact CB-CZ 4.3Å; W113-F188 AromaticContact CD1-CE2 3.84Å; W113-F188 AromaticContact CD2-CE2 3.91Å; W113-F188 HydrophobicContact CD2-CE2 3.91Å; W113-F188 HydrophobicContact CD2-CZ 4.16Å; W113-F188 HydrophobicContact CE3-CE2 4.48Å; W113-F188 HydrophobicContact CE3-CZ 4.28Å; W113-F188 AromaticContact CG-CE2 3.66Å; W113-F188 HydrophobicContact CG-CE2 3.66Å; W113-F188 HydrophobicContact CG-CZ 4.19Å; P115-F188 HydrophobicContact CB-CE1 4.21Å; P115-F188 HydrophobicContact CB-CZ 4.04Å; P115-F188 HydrophobicContact CG-CE1 4.28Å; P115-F188 HydrophobicContact CG-CZ 3.94Å; Q184-F188 PolarHBondContact O-N 3.12Å; E185-F188 WeakPolarHBondContact O-CB 3.49Å; E185-F188 PolarHBondContact O-N 3.46Å; R186-F188 VanDerWaalsContact C-N 3.26Å; R186-F188 PolarHBondContact O-N 2.85Å; F188-L191 WeakPolarHBondContact O-CB 3.4Å; F188-L191 PolarHBondContact O-N 3.24Å; F188-H192 AromaticContact CD2-CD2 3.62Å; F188-H192 AromaticContact CD2-NE2 3.86Å; F188-H192 AromaticContact CE2-CD2 3.27Å; F188-H192 WeakPolarHBondContact CE2-CD2 3.39Å; F188-H192 AromaticContact CE2-NE2 3.28Å; F188-H192 VanDerWaalsContact CE2-NE2 3.28Å; F188-H192 WeakPolarHBondContact CE2-NE2 3.29Å; F188-H192 AromaticContact CZ-CD2 3.51Å; F188-H192 AromaticContact CZ-NE2 3.8Å; F188-H192 PolarHBondContact O-CD2 3.46Å; F188-H192 VanDerWaalsContact O-CD2 3.28Å; F188-H192 PolarHBondContact O-N 3.18Å
189W97.2Very high95.1Very high12 Ų1239.3 Ų39.35%0.04524%0.237CC..Hα-helixtrans-70.4-34.1176.6-71.5113.1000113.2P115 D119 Y120 Y123 E185 R186 L191 H192 R193P115-W189 HydrophobicContact CB-CH2 3.71Å; P115-W189 HydrophobicContact CB-CZ3 3.76Å; P115-W189 HydrophobicContact CG-CH2 4.48Å; P115-W189 HydrophobicContact CG-CZ3 4.06Å; D119-W189 HydrophobicContact CB-CH2 3.79Å; D119-W189 HydrophobicContact CB-CZ2 4.07Å; Y120-W189 VanDerWaalsContact CA-CH2 3.42Å; Y120-W189 AromaticContact CD2-CD2 3.55Å; Y120-W189 HydrophobicContact CD2-CD2 3.55Å; Y120-W189 AromaticContact CD2-CE3 3.32Å; Y120-W189 HydrophobicContact CD2-CE3 3.32Å; Y120-W189 HydrophobicContact CD2-CG 4.1Å; Y120-W189 HydrophobicContact CD2-CH2 4.21Å; Y120-W189 HydrophobicContact CD2-CZ2 4.4Å; Y120-W189 AromaticContact CD2-CZ3 3.69Å; Y120-W189 HydrophobicContact CD2-CZ3 3.69Å; Y120-W189 HydrophobicContact CE2-CB 4.21Å; Y120-W189 HydrophobicContact CE2-CD2 4.11Å; Y120-W189 HydrophobicContact CE2-CE3 4Å; Y120-W189 HydrophobicContact CE2-CG 4.22Å; Y120-W189 AromaticContact CG-CE3 3.97Å; Y120-W189 HydrophobicContact CG-CE3 3.97Å; Y120-W189 HydrophobicContact CG-CH2 4.36Å; Y120-W189 AromaticContact CG-CZ3 3.88Å; Y120-W189 HydrophobicContact CG-CZ3 3.88Å; Y120-W189 VanDerWaalsContact N-CH2 3.27Å; Y123-W189 HydrophobicContact CD1-CB 4.3Å; Y123-W189 AromaticContact CD1-CD1 3.37Å; Y123-W189 HydrophobicContact CD1-CD2 4.17Å; Y123-W189 AromaticContact CD1-CG 3.69Å; Y123-W189 HydrophobicContact CD1-CG 3.69Å; Y123-W189 AromaticContact CD1-NE1 3.64Å; Y123-W189 AromaticContact CD2-CD1 3.34Å; Y123-W189 HydrophobicContact CD2-CG 4.4Å; Y123-W189 AromaticContact CD2-NE1 3.42Å; Y123-W189 HydrophobicContact CE1-CB 3.89Å; Y123-W189 AromaticContact CE1-CD1 3.51Å; Y123-W189 AromaticContact CE1-CG 3.74Å; Y123-W189 HydrophobicContact CE1-CG 3.74Å; Y123-W189 AromaticContact CE2-CD1 3.49Å; Y123-W189 VanDerWaalsContact CE2-CD1 3.49Å; Y123-W189 HydrophobicContact CE2-CG 4.44Å; Y123-W189 AromaticContact CG-CD1 3.27Å; Y123-W189 HydrophobicContact CG-CD2 4.4Å; Y123-W189 AromaticContact CG-CE2 3.9Å; Y123-W189 HydrophobicContact CG-CG 4.03Å; Y123-W189 AromaticContact CG-NE1 3.16Å; Y123-W189 AromaticContact CZ-CD1 3.55Å; E185-W189 PolarHBondContact O-N 3.4Å; E185-W189 VanDerWaalsContact O-N 3.13Å; R186-W189 CarbonylContact O-C 3.6Å; R186-W189 WeakPolarHBondContact O-CA 3.49Å; R186-W189 PolarHBondContact O-N 3.43Å; W189-L191 PolarHBondContact O-N 3.44Å; W189-H192 HydrophobicContact CE3-CB 4.5Å; W189-H192 PolarHBondContact O-N 3.28Å; W189-R193 HydrophobicContact CE3-CG 3.99Å; W189-R193 HydrophobicContact CZ3-CG 4.3Å; W189-R193 CarbonylContact O-C 3.51Å; W189-R193 WeakPolarHBondContact O-CA 3.35Å; W189-R193 WeakPolarHBondContact O-CB 3.22Å; W189-R193 PolarHBondContact O-N 3.29Å
190D96.8Very high95.2Very high5 Ų537.7 Ų37.73%0.02723%0.23CC..Hα-helixtrans-61.5-28.9174.1-65-23.8000112H89 L91 R186 P194H89-D190 IonicContact CE1-OD1 3.05Å; H89-D190 IonicContact CG-OD1 2.84Å; H89-D190 IonicContact ND1-OD1 3.78Å; H89-D190 PolarHBondContact ND1-OD1 2.82Å; H89-D190 IonicContact ND1-OD2 3.72Å; L91-D190 HydrophobicContact CD1-CB 4.19Å; L91-D190 HydrophobicContact CD2-CB 4.06Å; L91-D190 HydrophobicContact CG-CB 4Å; R186-D190 IonicContact CZ-OD2 2.74Å; R186-D190 IonicContact NH1-OD2 2.69Å; R186-D190 PolarHBondContact NH1-OD2 3.04Å; R186-D190 VanDerWaalsContact O-CG 3.3Å; R186-D190 PolarHBondContact O-N 2.69Å; D190-P194 VanDerWaalsContact O-CA 3.25Å; D190-P194 WeakPolarHBondContact O-CA 3.49Å
191L96.3Very high95.1Very high5 Ų537.5 Ų37.53%0.02623%0.231CC..Hα-helixtrans-74.4-48172.6175.766.8000112.1S79 L91 A109 A187 F188 W189 T201 T202S79-L191 VanDerWaalsContact O-CD1 3.28Å; S79-L191 WeakPolarHBondContact O-CD1 3.45Å; L91-L191 HydrophobicContact CD1-CB 3.98Å; L91-L191 HydrophobicContact CD1-CD1 4.5Å; A109-L191 HydrophobicContact CB-CD2 4.34Å; A187-L191 PolarHBondContact O-N 3.08Å; F188-L191 WeakPolarHBondContact O-CB 3.4Å; F188-L191 PolarHBondContact O-N 3.24Å; W189-L191 PolarHBondContact O-N 3.44Å; L191-T201 WeakPolarHBondContact CD1-OG1 3.28Å; L191-T202 HydrophobicContact CD1-CG2 3.92Å; L191-T202 HydrophobicContact CD2-CG2 4.4Å; L191-T202 HydrophobicContact CG-CG2 3.75Å
192H95.9Very high94.9Very high13 Ų1337 Ų376%0.0623%0.23CC..Hα-helixtrans-88.5-17.2-171.6-74.3-74.2000114.7W113 P115 F188 W189W113-H192 WeakPolarHBondContact CB-NE2 3.4Å; W113-H192 PolarHBondContact O-CE1 3.5Å; P115-H192 HydrophobicContact CG-CB 3.66Å; P115-H192 VanDerWaalsContact CG-CG 3.48Å; F188-H192 AromaticContact CD2-CD2 3.62Å; F188-H192 AromaticContact CD2-NE2 3.86Å; F188-H192 AromaticContact CE2-CD2 3.27Å; F188-H192 WeakPolarHBondContact CE2-CD2 3.39Å; F188-H192 AromaticContact CE2-NE2 3.28Å; F188-H192 VanDerWaalsContact CE2-NE2 3.28Å; F188-H192 WeakPolarHBondContact CE2-NE2 3.29Å; F188-H192 AromaticContact CZ-CD2 3.51Å; F188-H192 AromaticContact CZ-NE2 3.8Å; F188-H192 PolarHBondContact O-CD2 3.46Å; F188-H192 VanDerWaalsContact O-CD2 3.28Å; F188-H192 PolarHBondContact O-N 3.18Å; W189-H192 HydrophobicContact CE3-CB 4.5Å; W189-H192 PolarHBondContact O-N 3.28Å
193R95.6Very high94.6Very high60 Ų6041.9 Ų41.923%0.22625%0.252CS..SBendtrans-139.864.6178.7-64.2-63.7-175.9-74-5108.4P115 N117 Y120 W189P115-R193 PolarHBondContact O-NH2 3.21Å; N117-R193 PolarHBondContact OD1-NH2 2.83Å; Y120-R193 HydrophobicContact CD1-CG 3.8Å; Y120-R193 HydrophobicContact CD2-CG 4.07Å; Y120-R193 HydrophobicContact CE1-CB 4.01Å; Y120-R193 HydrophobicContact CE1-CG 3.77Å; Y120-R193 HydrophobicContact CE2-CB 4.06Å; Y120-R193 HydrophobicContact CE2-CG 4.04Å; Y120-R193 HydrophobicContact CG-CG 3.96Å; W189-R193 HydrophobicContact CE3-CG 3.99Å; W189-R193 HydrophobicContact CZ3-CG 4.3Å; W189-R193 CarbonylContact O-C 3.51Å; W189-R193 WeakPolarHBondContact O-CA 3.35Å; W189-R193 WeakPolarHBondContact O-CB 3.22Å; W189-R193 PolarHBondContact O-N 3.29Å
194P95.6Very high94.2Very high32 Ų3243.3 Ų43.321%0.20826%0.258CS..PPolyproline II helixtrans-63156.3-171.327.2-35.9000112.7D190 A198 N200D190-P194 VanDerWaalsContact O-CA 3.25Å; D190-P194 WeakPolarHBondContact O-CA 3.49Å; P194-A198 HydrophobicContact CB-CB 4.2Å; P194-N200 HydrophobicContact CG-CB 4.06Å
195V95.1Very high93.8Very high40 Ų4044.3 Ų44.324%0.24226%0.264CS..PPolyproline II helixtrans-52.1137.2171.9-176.50000109.5H89 F140 G197 A198H89-V195 HydrophobicContact CB-CG2 3.63Å; F140-V195 HydrophobicContact CE1-CG2 4.02Å; F140-V195 HydrophobicContact CE2-CG2 4.44Å; F140-V195 HydrophobicContact CZ-CG2 3.84Å; V195-G197 PolarHBondContact O-N 3.06Å; V195-A198 VanDerWaalsContact O-CB 3.31Å; V195-A198 WeakPolarHBondContact O-CB 3.3Å; V195-A198 PolarHBondContact O-N 3.18Å
196P95.4Very high93.2Very high98 Ų9849.9 Ų49.964%0.63629%0.288SS*.THydrogen-bonded Turntrans-51.1127.1177.7-28.335.4000112.6F140F140-P196 HydrophobicContact CB-CG 3.86Å; F140-P196 HydrophobicContact CG-CG 4.42Å
197G93.3Very high92.7Very high88 Ų8855.8 Ų55.891%0.90731%0.31SS*.THydrogen-bonded Turntrans94-13.8-177.700000115V195V195-G197 PolarHBondContact O-N 3.06Å
198A93.3Very high92Very high37 Ų3760 Ų6031%0.30633%0.328SS..SBendtrans-76.2149.9171.300000111.6L90 P194 V195 N200L90-A198 HydrophobicContact CD1-CB 3.96Å; P194-A198 HydrophobicContact CB-CB 4.2Å; V195-A198 VanDerWaalsContact O-CB 3.31Å; V195-A198 WeakPolarHBondContact O-CB 3.3Å; V195-A198 PolarHBondContact O-N 3.18Å; A198-N200 PolarHBondContact O-N 3.37Å
199V91.6Very high90.9Very high127 Ų12763.1 Ų63.177%0.7735%0.345SS*.  trans-70.4124.3177.51790000109.5T201V199-T201 PolarHBondContact O-N 2.88Å; V199-T201 VanDerWaalsContact O-N 3.16Å
200N91.9Very high89.7Confident44 Ų4465.3 Ų65.324%0.23536%0.362CS..  trans-80.295.8174.6-173.6-3.6000110.7P194 A198 T202 E203P194-N200 HydrophobicContact CG-CB 4.06Å; A198-N200 PolarHBondContact O-N 3.37Å; N200-T202 PolarHBondContact O-N 3.42Å; N200-T202 WeakPolarHBondContact OD1-CB 3.26Å; N200-T202 PolarHBondContact OD1-N 2.97Å; N200-T202 VanDerWaalsContact OD1-N 3.1Å; N200-T202 PolarHBondContact OD1-OG1 3.27Å; N200-E203 HydrophobicContact CB-CG 3.95Å; N200-E203 WeakPolarHBondContact O-CB 3.46Å; N200-E203 PolarHBondContact O-N 3.23Å
201T91.9Very high88.2Confident31 Ų3173.3 Ų73.319%0.1939%0.392CS..THydrogen-bonded Turntrans-70.4-9-179.656.60000113.9S79 L191 V199 E203S79-T201 WeakPolarHBondContact O-CB 3.39Å; S79-T201 VanDerWaalsContact O-CG2 3.32Å; S79-T201 WeakPolarHBondContact O-CG2 3.46Å; S79-T201 PolarHBondContact O-OG1 3.3Å; L191-T201 WeakPolarHBondContact CD1-OG1 3.28Å; V199-T201 PolarHBondContact O-N 2.88Å; V199-T201 VanDerWaalsContact O-N 3.16Å; T201-E203 VanDerWaalsContact C-N 3.33Å
202T90.3Very high86.4Confident38 Ų3875.2 Ų75.223%0.23341%0.405CS..THydrogen-bonded Turntrans-83.1-9.9173.973.40000112.7L191 N200L191-T202 HydrophobicContact CD1-CG2 3.92Å; L191-T202 HydrophobicContact CD2-CG2 4.4Å; L191-T202 HydrophobicContact CG-CG2 3.75Å; N200-T202 PolarHBondContact O-N 3.42Å; N200-T202 WeakPolarHBondContact OD1-CB 3.26Å; N200-T202 PolarHBondContact OD1-N 2.97Å; N200-T202 VanDerWaalsContact OD1-N 3.1Å; N200-T202 PolarHBondContact OD1-OG1 3.27Å
203E88.8Confident84.4Confident135 Ų13582.5 Ų82.563%0.63144%0.439SS*.  trans-68.8136.2175.8-71.8-178-17000112.4N200 T201N200-E203 HydrophobicContact CB-CG 3.95Å; N200-E203 WeakPolarHBondContact O-CB 3.46Å; N200-E203 PolarHBondContact O-N 3.23Å; T201-E203 VanDerWaalsContact C-N 3.33Å
204I86.2Confident82.1Confident44 Ų4489.3 Ų89.323%0.22647%0.465CS..  trans-116.5132.7-175.4-52.3178.4000109.6H10 P11 Y12 F206 K208 L209H10-I204 WeakPolarHBondContact NE2-CD1 3.3Å; P11-I204 HydrophobicContact CB-CG2 4.08Å; P11-I204 HydrophobicContact CG-CD1 4.08Å; P11-I204 HydrophobicContact CG-CG2 3.85Å; Y12-I204 HydrophobicContact CE2-CB 4.26Å; Y12-I204 HydrophobicContact CE2-CG1 4.05Å; Y12-I204 HydrophobicContact CE2-CG2 4.03Å; I204-F206 PolarHBondContact O-N 3.04Å; I204-K208 HydrophobicContact CG2-CB 4.24Å; I204-L209 HydrophobicContact CB-CD1 4.35Å; I204-L209 HydrophobicContact CB-CD2 4.05Å; I204-L209 HydrophobicContact CB-CG 4.05Å; I204-L209 HydrophobicContact CD1-CD2 3.98Å; I204-L209 HydrophobicContact CG2-CD2 3.82Å; I204-L209 HydrophobicContact CG2-CG 3.73Å
205D86.7Confident79.7Confident45 Ų4594.4 Ų94.424%0.24149%0.489CS..  trans-57.5125.1172.4-175.4-44.9000110.1Y12 R207 K208 L209Y12-D205 PolarHBondContact OH-N 3.36Å; D205-R207 PolarHBondContact O-N 2.94Å; D205-R207 VanDerWaalsContact O-N 3.07Å; D205-R207 WeakPolarHBondContact OD1-CA 3.42Å; D205-R207 WeakPolarHBondContact OD1-CB 3.4Å; D205-R207 WeakPolarHBondContact OD1-CG 3.4Å; D205-R207 PolarHBondContact OD1-N 2.87Å; D205-R207 IonicContact OD1-NE 3.82Å; D205-R207 PolarHBondContact OD1-NE 3.08Å; D205-R207 VanDerWaalsContact OD1-NE 3.16Å; D205-R207 IonicContact OD2-CZ 2.76Å; D205-R207 IonicContact OD2-NE 2.73Å; D205-R207 PolarHBondContact OD2-NE 3.02Å; D205-R207 IonicContact OD2-NH2 3.5Å; D205-R207 PolarHBondContact OD2-NH2 3.09Å; D205-K208 HydrophobicContact CB-CG 4.34Å; D205-K208 WeakPolarHBondContact O-CA 3.09Å; D205-K208 WeakPolarHBondContact O-CB 3.37Å; D205-K208 PolarHBondContact O-N 3.37Å; D205-L209 PolarHBondContact O-N 3.13Å
206F84.7Confident76.9Confident157 Ų157102.6 Ų102.669%0.68952%0.515SS*.Hα-helixtrans-55-29.7-178.565.5-88.8000113.3I204 K208 L209 S210I204-F206 PolarHBondContact O-N 3.04Å; F206-K208 VanDerWaalsContact C-N 3.28Å; F206-K208 PolarHBondContact O-N 2.94Å; F206-L209 PolarHBondContact O-N 3.01Å; F206-S210 PolarHBondContact O-N 3.44Å; F206-S210 VanDerWaalsContact O-N 3.12Å
207R84.7Confident74Confident149 Ų149102.7 Ų102.756%0.56252%0.516SS*.Hα-helixtrans-65.6-32.8174.9-60175.6-71.7-174.7-4111.2D205 S210 R211D205-R207 PolarHBondContact O-N 2.94Å; D205-R207 VanDerWaalsContact O-N 3.07Å; D205-R207 WeakPolarHBondContact OD1-CA 3.42Å; D205-R207 WeakPolarHBondContact OD1-CB 3.4Å; D205-R207 WeakPolarHBondContact OD1-CG 3.4Å; D205-R207 PolarHBondContact OD1-N 2.87Å; D205-R207 IonicContact OD1-NE 3.82Å; D205-R207 PolarHBondContact OD1-NE 3.08Å; D205-R207 VanDerWaalsContact OD1-NE 3.16Å; D205-R207 IonicContact OD2-CZ 2.76Å; D205-R207 IonicContact OD2-NE 2.73Å; D205-R207 PolarHBondContact OD2-NE 3.02Å; D205-R207 IonicContact OD2-NH2 3.5Å; D205-R207 PolarHBondContact OD2-NH2 3.09Å; R207-S210 PolarHBondContact O-OG 3.17Å; R207-R211 WeakPolarHBondContact O-CG 3.46Å
208K83.3Confident71.4Confident88 Ų88105.1 Ų105.138%0.38351%0.513SS..Hα-helixtrans-77-41.6176.2-67.9-171173.3-169.40111.9P11 Y12 I204 D205 F206 S210 R211 C212P11-K208 HydrophobicContact CB-CB 3.99Å; Y12-K208 HydrophobicContact CD1-CD 4.06Å; Y12-K208 HydrophobicContact CE1-CD 3.4Å; I204-K208 HydrophobicContact CG2-CB 4.24Å; D205-K208 HydrophobicContact CB-CG 4.34Å; D205-K208 WeakPolarHBondContact O-CA 3.09Å; D205-K208 WeakPolarHBondContact O-CB 3.37Å; D205-K208 PolarHBondContact O-N 3.37Å; F206-K208 VanDerWaalsContact C-N 3.28Å; F206-K208 PolarHBondContact O-N 2.94Å; K208-S210 VanDerWaalsContact C-N 3.3Å; K208-S210 PolarHBondContact O-N 2.91Å; K208-R211 PolarHBondContact O-N 2.94Å; K208-C212 PolarHBondContact O-N 3.31Å
209L74.7Confident68.8Low77 Ų77109.9 Ų109.940%0.40353%0.529SS..Hα-helixtrans-54.4-45.7173.8-70.7173.6000111.8I204 D205 F206 R211 C212 H213I204-L209 HydrophobicContact CB-CD1 4.35Å; I204-L209 HydrophobicContact CB-CD2 4.05Å; I204-L209 HydrophobicContact CB-CG 4.05Å; I204-L209 HydrophobicContact CD1-CD2 3.98Å; I204-L209 HydrophobicContact CG2-CD2 3.82Å; I204-L209 HydrophobicContact CG2-CG 3.73Å; D205-L209 PolarHBondContact O-N 3.13Å; F206-L209 PolarHBondContact O-N 3.01Å; L209-R211 PolarHBondContact O-N 3.4Å; L209-C212 PolarHBondContact O-N 3.41Å; L209-H213 PolarHBondContact O-N 3.17Å
210S70.8Confident66.1Low58 Ų58111.6 Ų111.641%0.40653%0.534SS..Hα-helixtrans-61.9-26.2179.376.80000114.3F206 R207 K208 R214F206-S210 PolarHBondContact O-N 3.44Å; F206-S210 VanDerWaalsContact O-N 3.12Å; R207-S210 PolarHBondContact O-OG 3.17Å; K208-S210 VanDerWaalsContact C-N 3.3Å; K208-S210 PolarHBondContact O-N 2.91Å; S210-R214 WeakPolarHBondContact O-CG 3.47Å
211R65.9Low63.6Low173 Ų173119.7 Ų119.765%0.65356%0.561SS**Hα-helixtrans-84.9-34.7-178.8-69.8175.6-176.7-173.30.9111.8R207 K208 L209 H213 R214R207-R211 WeakPolarHBondContact O-CG 3.46Å; K208-R211 PolarHBondContact O-N 2.94Å; L209-R211 PolarHBondContact O-N 3.4Å; R211-H213 VanDerWaalsContact C-N 3.33Å; R211-H213 PolarHBondContact O-N 3.25Å; R211-R214 PolarHBondContact O-N 3.2Å; R211-R214 VanDerWaalsContact O-N 3.1Å
212C59.3Low61Low45 Ų45125 Ų12530%0.30459%0.588SS.*Hα-helixtrans-64.8-37.3178.6-68.60000112.1P11 K208 L209 R214 I215P11-C212 VanDerWaalsContact CG-SG 3.54Å; K208-C212 PolarHBondContact O-N 3.31Å; L209-C212 PolarHBondContact O-N 3.41Å; C212-R214 VanDerWaalsContact C-N 3.29Å; C212-R214 PolarHBondContact O-N 2.79Å; C212-I215 PolarHBondContact O-N 3.34Å
213H52.4Low58.5Low166 Ų166128.9 Ų128.977%0.76961%0.612SS**THydrogen-bonded Turntrans-77.3-9.6174.1-66.3-19.5000114.6L209 R211L209-H213 PolarHBondContact O-N 3.17Å; R211-H213 VanDerWaalsContact C-N 3.33Å; R211-H213 PolarHBondContact O-N 3.25Å
214R48.3Very low56Low203 Ų203133.5 Ų133.577%0.76662%0.623SS**THydrogen-bonded Turntrans-81.9-16.9173.1-78.5-179.3-174.3-178.13113.1S210 R211 C212 R216S210-R214 WeakPolarHBondContact O-CG 3.47Å; R211-R214 PolarHBondContact O-N 3.2Å; R211-R214 VanDerWaalsContact O-N 3.1Å; C212-R214 VanDerWaalsContact C-N 3.29Å; C212-R214 PolarHBondContact O-N 2.79Å; R214-R216 PolarHBondContact O-N 2.96Å
215I45.2Very low54Low139 Ų139138.3 Ų138.371%0.71365%0.645SS**SBendtrans-79.371.9165.2-49177.4000106.5C212C212-I215 PolarHBondContact O-N 3.34Å
216R35.6Very low52.1Low213 Ų213141.2 Ų141.280%0.80467%0.669SS**  trans-54.9131.9165-75.1-173.4176.2-167-0.9106.8R214 T218R214-R216 PolarHBondContact O-N 2.96Å; R216-T218 PolarHBondContact O-N 2.86Å; R216-T218 VanDerWaalsContact O-N 3.14Å
217P34.9Very low50.5Low99 Ų99140.2 Ų140.264%0.64367%0.671SS**  trans-52.3127.3162.6-16.928.2000106.4E219P217-E219 PolarHBondContact O-N 3.22Å
218T39Very low48.9Very low139 Ų139137.3 Ų137.385%0.85367%0.666SS**SBendtrans-63.819.3172.228.10000113.2R216R216-T218 PolarHBondContact O-N 2.86Å; R216-T218 VanDerWaalsContact O-N 3.14Å
219E38Very low47.3Very low138 Ų138140.7 Ų140.765%0.64568%0.677SS**  trans-12463.5-172.5-60.9-164.6166.500110.8P217P217-E219 PolarHBondContact O-N 3.22Å
220N36.1Very low46.3Very low162 Ų162140.5 Ų140.587%0.86668%0.682SS**  trans-153.224.2142.6-107.2-17.8000112.6N222N220-N222 PolarHBondContact O-N 2.92Å
221R39.2Very low45.6Very low215 Ų215145.1 Ų145.181%0.81170%0.695SS**  trans-89.160.7162.9-85.4-173.1167.5-178.2-3.6109.8
222N36.9Very low45.7Very low141 Ų141140 Ų14075%0.75469%0.685SS**  trans-129.638.8170.6-89.4-11.7000111.8N220N220-N222 PolarHBondContact O-N 2.92Å
223V38Very low46.8Very low120 Ų120140.6 Ų140.673%0.72769%0.688SS**SBendtrans-146.9110.4158.8-174.30000107.6
224R36.4Very low48.5Very low232 Ų232136.6 Ų136.688%0.87568%0.675SS**SBendtrans74.191.1169-58.1161.9-175.7-164.60.1116.7
225Q42.8Very low50.4Low145 Ų145132.6 Ų132.668%0.67867%0.665SS**  trans161.474.6139.4-88.9174.926.200109.9N227 N228Q225-N227 VanDerWaalsContact C-N 3.29Å; Q225-N228 HydrophobicContact CB-CB 4.38Å; Q225-N228 PolarHBondContact OE1-ND2 3.39Å
226S48.6Very low52.5Low106 Ų106134.2 Ų134.274%0.74166%0.662SS**THydrogen-bonded Turntrans-73.1-20.7172.160.80000112.8
227N50.3Low55.1Low137 Ų137130.7 Ų130.773%0.73365%0.65SS**THydrogen-bonded Turntrans-85.1-6.9-178.4-80-0.5000115.6Q225Q225-N227 VanDerWaalsContact C-N 3.29Å
228N50.9Low57.9Low87 Ų87131.2 Ų131.247%0.46564%0.644SS.*SBendtrans-98.6-12.4178.2-101.5-7.1000114.3Q225 S232Q225-N228 HydrophobicContact CB-CB 4.38Å; Q225-N228 PolarHBondContact OE1-ND2 3.39Å; N228-S232 PolarHBondContact O-N 3.23Å; N228-S232 PolarHBondContact O-OG 3.18Å
229R48.9Very low60.4Low159 Ų159128.7 Ų128.760%0.663%0.625SS**Hα-helixtrans-69.6-34.2177.9-88.5-175175.6178.50.9112.3S232 T233R229-S232 PolarHBondContact O-OG 2.81Å; R229-T233 WeakPolarHBondContact O-CB 3.42Å; R229-T233 PolarHBondContact O-N 3.5Å; R229-T233 PolarHBondContact O-OG1 3.07Å
230S54.6Low63Low74 Ų74126.3 Ų126.352%0.51761%0.614SS.*Hα-helixtrans-73.2-43.9-177.360.60000112.5S232 T233 V234S230-S232 PolarHBondContact O-N 3.28Å; S230-T233 WeakPolarHBondContact O-CB 3.5Å; S230-T233 PolarHBondContact O-N 3.11Å; S230-V234 PolarHBondContact O-N 3.22Å
231K55.5Low65.8Low155 Ų155122.1 Ų122.167%0.67459%0.594SS**Hα-helixtrans-61.2-44176-72.8-172.1176.7-175.30112.5T233 V234 E235K231-T233 PolarHBondContact O-N 3.22Å; K231-V234 PolarHBondContact O-N 3.26Å; K231-E235 WeakPolarHBondContact O-CB 3.39Å; K231-E235 PolarHBondContact O-N 3.47Å; K231-E235 VanDerWaalsContact O-N 3.1Å
232S68.5Low68.5Low64 Ų64117.5 Ų117.545%0.44858%0.581SS.*Hα-helixtrans-65-21.4174.868.10000113.3N228 R229 S230 R236N228-S232 PolarHBondContact O-N 3.23Å; N228-S232 PolarHBondContact O-OG 3.18Å; R229-S232 PolarHBondContact O-OG 2.81Å; S230-S232 PolarHBondContact O-N 3.28Å; S232-R236 WeakPolarHBondContact O-CB 3.2Å; S232-R236 PolarHBondContact O-N 3.02Å
233T82.9Confident71.3Confident59 Ų59114.8 Ų114.836%0.36257%0.566SS.*Hα-helixtrans-82.9-44-179.7-58.60000110.8R229 S230 K231 R236 Y237R229-T233 WeakPolarHBondContact O-CB 3.42Å; R229-T233 PolarHBondContact O-N 3.5Å; R229-T233 PolarHBondContact O-OG1 3.07Å; S230-T233 WeakPolarHBondContact O-CB 3.5Å; S230-T233 PolarHBondContact O-N 3.11Å; K231-T233 PolarHBondContact O-N 3.22Å; T233-R236 PolarHBondContact O-N 2.98Å; T233-Y237 HydrophobicContact CG2-CD2 3.83Å; T233-Y237 HydrophobicContact CG2-CE2 3.38Å; T233-Y237 WeakPolarHBondContact O-CD2 3.44Å; T233-Y237 PolarHBondContact O-N 2.8Å; T233-Y237 VanDerWaalsContact O-N 3.08Å
234V87.7Confident74Confident82 Ų82113 Ų11350%0.49755%0.553SS.*Hα-helixtrans-64.9-51.4176.41780000110.9S230 K231 R236 Y237 E238S230-V234 PolarHBondContact O-N 3.22Å; K231-V234 PolarHBondContact O-N 3.26Å; V234-R236 PolarHBondContact O-N 3.16Å; V234-Y237 PolarHBondContact O-N 2.74Å; V234-E238 HydrophobicContact CG1-CG 4.26Å; V234-E238 WeakPolarHBondContact O-CG 3.33Å; V234-E238 PolarHBondContact O-N 3.19Å
235E88.6Confident76.9Confident119 Ų119107.8 Ų107.856%0.55654%0.538SS*.Hα-helixtrans-57.6-37.1178-177.2-176.1-179.500111.7K231 N239K231-E235 WeakPolarHBondContact O-CB 3.39Å; K231-E235 PolarHBondContact O-N 3.47Å; K231-E235 VanDerWaalsContact O-N 3.1Å; E235-N239 WeakPolarHBondContact O-CB 3.41Å; E235-N239 VanDerWaalsContact O-CG 3.24Å; E235-N239 PolarHBondContact O-N 3.2Å; E235-N239 PolarHBondContact O-ND2 2.81Å
236R88.3Confident79.3Confident172 Ų172103.6 Ų103.665%0.64952%0.524SS*.Hα-helixtrans-62.2-47.5174.1173.7-179.6173.7161.60.1111.9S232 T233 V234 N239 E240S232-R236 WeakPolarHBondContact O-CB 3.2Å; S232-R236 PolarHBondContact O-N 3.02Å; T233-R236 PolarHBondContact O-N 2.98Å; V234-R236 PolarHBondContact O-N 3.16Å; R236-N239 PolarHBondContact O-N 3.02Å; R236-E240 WeakPolarHBondContact O-CB 3.3Å; R236-E240 PolarHBondContact O-N 3.34Å
237Y91.9Very high81.5Confident139 Ų139105.9 Ų105.955%0.54552%0.517SS..Hα-helixtrans-69.2-36.6179.2-71.7-54.9000112.1T233 V234 E240 V241T233-Y237 HydrophobicContact CG2-CD2 3.83Å; T233-Y237 HydrophobicContact CG2-CE2 3.38Å; T233-Y237 WeakPolarHBondContact O-CD2 3.44Å; T233-Y237 PolarHBondContact O-N 2.8Å; T233-Y237 VanDerWaalsContact O-N 3.08Å; V234-Y237 PolarHBondContact O-N 2.74Å; Y237-E240 PolarHBondContact O-N 2.93Å; Y237-V241 WeakPolarHBondContact O-CB 3.32Å; Y237-V241 VanDerWaalsContact O-CG2 3.25Å; Y237-V241 WeakPolarHBondContact O-CG2 3.5Å; Y237-V241 PolarHBondContact O-N 3.26Å
238E92.8Very high83.6Confident111 Ų111106.5 Ų106.552%0.51952%0.519SS..Hα-helixtrans-60.6-47173.3-72.3175.2161.700111.3V234 E240 V241 Q242V234-E238 HydrophobicContact CG1-CG 4.26Å; V234-E238 WeakPolarHBondContact O-CG 3.33Å; V234-E238 PolarHBondContact O-N 3.19Å; E238-E240 VanDerWaalsContact C-N 3.35Å; E238-E240 PolarHBondContact O-N 3.09Å; E238-V241 PolarHBondContact O-N 3.46Å; E238-Q242 WeakPolarHBondContact O-CG 3.06Å; E238-Q242 PolarHBondContact O-N 3.43Å
239N91.7Very high85.7Confident85 Ų85106.1 Ų106.146%0.45553%0.528SS..Hα-helixtrans-62.3-39.8174.6-75.3-41000112.4E235 R236 Q242 L243E235-N239 WeakPolarHBondContact O-CB 3.41Å; E235-N239 VanDerWaalsContact O-CG 3.24Å; E235-N239 PolarHBondContact O-N 3.2Å; E235-N239 PolarHBondContact O-ND2 2.81Å; R236-N239 PolarHBondContact O-N 3.02Å; N239-Q242 PolarHBondContact O-N 2.87Å; N239-L243 WeakPolarHBondContact O-CB 3.37Å; N239-L243 PolarHBondContact O-N 3.5Å
240E93Very high87.8Confident89 Ų89107.6 Ų107.642%0.41653%0.534SS..Hα-helixtrans-65.4-42.3176.5-175168.5-167.400111.7R236 Y237 E238 L243 L244R236-E240 WeakPolarHBondContact O-CB 3.3Å; R236-E240 PolarHBondContact O-N 3.34Å; Y237-E240 PolarHBondContact O-N 2.93Å; E238-E240 VanDerWaalsContact C-N 3.35Å; E238-E240 PolarHBondContact O-N 3.09Å; E240-L243 WeakPolarHBondContact O-CB 3.28Å; E240-L243 PolarHBondContact O-N 2.91Å; E240-L244 HydrophobicContact CG-CD1 4.25Å; E240-L244 WeakPolarHBondContact O-CB 3.46Å; E240-L244 VanDerWaalsContact O-CG 3.29Å; E240-L244 WeakPolarHBondContact O-CG 3.44Å; E240-L244 PolarHBondContact O-N 3.09Å
241V95.1Very high89.6Confident73 Ų73112.1 Ų112.144%0.44255%0.552SS.*Hα-helixtrans-62.4-47.8174.91690000110.9Y237 E238 L243 L244 Q245Y237-V241 WeakPolarHBondContact O-CB 3.32Å; Y237-V241 VanDerWaalsContact O-CG2 3.25Å; Y237-V241 WeakPolarHBondContact O-CG2 3.5Å; Y237-V241 PolarHBondContact O-N 3.26Å; E238-V241 PolarHBondContact O-N 3.46Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.34Å; V241-L244 PolarHBondContact O-N 3.07Å; V241-Q245 HydrophobicContact CG1-CG 4.36Å; V241-Q245 WeakPolarHBondContact O-CB 3.48Å; V241-Q245 WeakPolarHBondContact O-CG 3.43Å; V241-Q245 PolarHBondContact O-N 3.02Å
242Q95Very high91.4Very high118 Ų118109.3 Ų109.355%0.55156%0.558SS**Hα-helixtrans-58.7-42.4176.1-72.3176.316.100111.6E238 N239 Q245 S246E238-Q242 WeakPolarHBondContact O-CG 3.06Å; E238-Q242 PolarHBondContact O-N 3.43Å; N239-Q242 PolarHBondContact O-N 2.87Å; Q242-Q245 PolarHBondContact O-N 3.26Å; Q242-S246 WeakPolarHBondContact O-CB 3.37Å; Q242-S246 PolarHBondContact O-N 3.26Å
243L94.6Very high92.6Very high84 Ų84111.8 Ų111.844%0.4457%0.566SS.*Hα-helixtrans-61.7-47.3175.6178.164.4000111.5N239 E240 V241 S246 R247N239-L243 WeakPolarHBondContact O-CB 3.37Å; N239-L243 PolarHBondContact O-N 3.5Å; E240-L243 WeakPolarHBondContact O-CB 3.28Å; E240-L243 PolarHBondContact O-N 2.91Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.34Å; L243-S246 PolarHBondContact O-N 3.43Å; L243-S246 PolarHBondContact O-OG 3.37Å; L243-R247 WeakPolarHBondContact O-CG 3.24Å; L243-R247 PolarHBondContact O-N 3.13Å
244L95.6Very high93.2Very high84 Ų84116.9 Ų116.944%0.4458%0.583SS.*Hα-helixtrans-64.2-42.1179.1-70.9172.8000112E240 V241 S246 R247 L248E240-L244 HydrophobicContact CG-CD1 4.25Å; E240-L244 WeakPolarHBondContact O-CB 3.46Å; E240-L244 VanDerWaalsContact O-CG 3.29Å; E240-L244 WeakPolarHBondContact O-CG 3.44Å; E240-L244 PolarHBondContact O-N 3.09Å; V241-L244 PolarHBondContact O-N 3.07Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 2.93Å; L244-R247 WeakPolarHBondContact O-CB 3.42Å; L244-R247 PolarHBondContact O-N 2.94Å; L244-R247 VanDerWaalsContact O-N 3.11Å; L244-L248 WeakPolarHBondContact O-CG 3.4Å; L244-L248 PolarHBondContact O-N 3.3Å
245Q96.6Very high93.7Very high121 Ų121118.8 Ų118.857%0.56560%0.595SS**Hα-helixtrans-58.9-44.1173.2-73.8174.5-18.700111.3V241 Q242 R247 L248 A249V241-Q245 HydrophobicContact CG1-CG 4.36Å; V241-Q245 WeakPolarHBondContact O-CB 3.48Å; V241-Q245 WeakPolarHBondContact O-CG 3.43Å; V241-Q245 PolarHBondContact O-N 3.02Å; Q242-Q245 PolarHBondContact O-N 3.26Å; Q245-R247 VanDerWaalsContact C-N 3.26Å; Q245-R247 PolarHBondContact O-N 3.39Å; Q245-L248 PolarHBondContact O-N 2.88Å; Q245-A249 PolarHBondContact O-N 3.01Å
246S94.8Very high94.1Very high57 Ų57117.3 Ų117.340%0.39960%0.598SS.*Hα-helixtrans-62.9-30.3175.881.70000113.4Q242 L243 L244Q242-S246 WeakPolarHBondContact O-CB 3.37Å; Q242-S246 PolarHBondContact O-N 3.26Å; L243-S246 PolarHBondContact O-N 3.43Å; L243-S246 PolarHBondContact O-OG 3.37Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 2.93Å
247R94.1Very high94.5Very high154 Ų154111.8 Ų111.858%0.58158%0.578SS**Hα-helixtrans-75.5-41.1176-72.3178.7-179.9-169.90.3111.8L243 L244 Q245 A249 R250L243-R247 WeakPolarHBondContact O-CG 3.24Å; L243-R247 PolarHBondContact O-N 3.13Å; L244-R247 WeakPolarHBondContact O-CB 3.42Å; L244-R247 PolarHBondContact O-N 2.94Å; L244-R247 VanDerWaalsContact O-N 3.11Å; Q245-R247 VanDerWaalsContact C-N 3.26Å; Q245-R247 PolarHBondContact O-N 3.39Å; R247-A249 VanDerWaalsContact C-N 3.29Å; R247-A249 PolarHBondContact O-N 3.12Å; R247-R250 WeakPolarHBondContact O-CB 3.29Å; R247-R250 PolarHBondContact O-N 2.76Å
248L94.4Very high94.8Very high150 Ų150107.8 Ų107.879%0.78557%0.568SS**Hα-helixtrans-64.7-32.3176.2-73.9171.7000112.5L244 Q245 R250L244-L248 WeakPolarHBondContact O-CG 3.4Å; L244-L248 PolarHBondContact O-N 3.3Å; Q245-L248 PolarHBondContact O-N 2.88Å; L248-R250 PolarHBondContact O-N 3.47Å
249A95Very high95.1Very high79 Ų79104.5 Ų104.565%0.65356%0.56SS**THydrogen-bonded Turntrans-71.1-12.2176.700000114.1Q245 R247Q245-A249 PolarHBondContact O-N 3.01Å; R247-A249 VanDerWaalsContact C-N 3.29Å; R247-A249 PolarHBondContact O-N 3.12Å
250R93.3Very high95.3Very high190 Ų190105.7 Ų105.772%0.71756%0.563SS**SBendtrans-79.6124.6179-68.2178.9178.9-160.9-3.2110.5R247 L248 A252R247-R250 WeakPolarHBondContact O-CB 3.29Å; R247-R250 PolarHBondContact O-N 2.76Å; L248-R250 PolarHBondContact O-N 3.47Å; R250-A252 PolarHBondContact O-N 3.33Å
251N92.8Very high95.5Very high169 Ų169106.7 Ų106.790%0.90457%0.566SS**  trans-66.9114.4172.1-67.3-30000110.2
252A91.8Very high95.6Very high96 Ų96108.3 Ų108.379%0.79357%0.572SS**PPolyproline II helixtrans-98.3142.3175.700000111R250R250-A252 PolarHBondContact O-N 3.33Å
253L93.7Very high95.7Very high116 Ų116107.4 Ų107.461%0.60757%0.57SS**PPolyproline II helixtrans-91.5152.4170.7-68.8170.6000110.2V258L253-V258 HydrophobicContact CB-CG2 3.71Å; L253-V258 HydrophobicContact CD1-CG2 4.44Å
254K97.2Very high95.8Very high166 Ų166104.9 Ų104.972%0.72256%0.561SS**PPolyproline II helixtrans-61.1137.5171.1-68.3-175.8178.5-178.80109.9S256 K257 V258K254-S256 PolarHBondContact O-N 3.2Å; K254-K257 WeakPolarHBondContact O-CB 3.49Å; K254-K257 PolarHBondContact O-N 3.03Å; K254-V258 PolarHBondContact O-N 3.25Å
255T97.1Very high95.8Very high123 Ų123107 Ų10776%0.75556%0.564SS**Hα-helixtrans-53.8-38.6178.6-49.90000112.6K257 V258 A259T255-K257 VanDerWaalsContact C-N 3.3Å; T255-K257 PolarHBondContact O-N 3.44Å; T255-V258 PolarHBondContact O-N 2.9Å; T255-A259 WeakPolarHBondContact O-CB 3.19Å; T255-A259 PolarHBondContact O-N 3.27Å
256S97.6Very high95.7Very high88 Ų88104.6 Ų104.662%0.61556%0.56SS**Hα-helixtrans-59.3-40175.9540000112.7K254 E260K254-S256 PolarHBondContact O-N 3.2Å; S256-E260 WeakPolarHBondContact O-CB 3.48Å; S256-E260 PolarHBondContact O-N 3.28Å
257K97.5Very high95.7Very high55 Ų55107.9 Ų107.924%0.23957%0.57CS.*Hα-helixtrans-73.6-37.9179.1-166.947.4162.3171.40112K254 T255 E260 F261K254-K257 WeakPolarHBondContact O-CB 3.49Å; K254-K257 PolarHBondContact O-N 3.03Å; T255-K257 VanDerWaalsContact C-N 3.3Å; T255-K257 PolarHBondContact O-N 3.44Å; K257-E260 VanDerWaalsContact CD-OE2 3.23Å; K257-E260 WeakPolarHBondContact CD-OE2 3.31Å; K257-E260 IonicContact NZ-OE1 3.2Å; K257-E260 PolarHBondContact NZ-OE1 2.64Å; K257-E260 IonicContact NZ-OE2 3.67Å; K257-E260 PolarHBondContact NZ-OE2 2.98Å; K257-F261 HydrophobicContact CD-CD2 4.46Å; K257-F261 HydrophobicContact CD-CE1 4.19Å; K257-F261 HydrophobicContact CD-CE2 3.99Å; K257-F261 HydrophobicContact CD-CZ 3.86Å; K257-F261 HydrophobicContact CG-CD2 4.19Å; K257-F261 HydrophobicContact CG-CE2 3.66Å; K257-F261 HydrophobicContact CG-CZ 3.99Å; K257-F261 VanDerWaalsContact O-CD2 3.23Å; K257-F261 WeakPolarHBondContact O-CD2 3.44Å; K257-F261 WeakPolarHBondContact O-CG 3.34Å; K257-F261 PolarHBondContact O-N 2.86Å; K257-F261 VanDerWaalsContact O-N 3.08Å
258V97.6Very high95.6Very high56 Ų56105.7 Ų105.734%0.33957%0.566SS.*Hα-helixtrans-61.8-46.9173177.90000110.6L253 K254 T255 F261 L262L253-V258 HydrophobicContact CB-CG2 3.71Å; L253-V258 HydrophobicContact CD1-CG2 4.44Å; K254-V258 PolarHBondContact O-N 3.25Å; T255-V258 PolarHBondContact O-N 2.9Å; V258-F261 PolarHBondContact O-N 2.9Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CG 4.37Å; V258-L262 WeakPolarHBondContact O-CG 3.47Å; V258-L262 PolarHBondContact O-N 3.18Å
259A97.9Very high95.6Very high42 Ų42100.4 Ų100.435%0.34754%0.535SS..Hα-helixtrans-60.7-46.617800000112T255 F261 L262 I263T255-A259 WeakPolarHBondContact O-CB 3.19Å; T255-A259 PolarHBondContact O-N 3.27Å; A259-F261 VanDerWaalsContact C-N 3.31Å; A259-F261 PolarHBondContact O-N 3.11Å; A259-L262 PolarHBondContact O-N 3.48Å; A259-I263 WeakPolarHBondContact O-CB 3.16Å; A259-I263 VanDerWaalsContact O-CG1 3.29Å; A259-I263 WeakPolarHBondContact O-CG1 3.28Å; A259-I263 PolarHBondContact O-N 3.42Å
260E97.3Very high95.5Very high109 Ų10999.1 Ų99.151%0.50952%0.519SS..Hα-helixtrans-54.8-45.8175.3-172-165.2149.600111.6S256 K257 A264S256-E260 WeakPolarHBondContact O-CB 3.48Å; S256-E260 PolarHBondContact O-N 3.28Å; K257-E260 VanDerWaalsContact CD-OE2 3.23Å; K257-E260 WeakPolarHBondContact CD-OE2 3.31Å; K257-E260 IonicContact NZ-OE1 3.2Å; K257-E260 PolarHBondContact NZ-OE1 2.64Å; K257-E260 IonicContact NZ-OE2 3.67Å; K257-E260 PolarHBondContact NZ-OE2 2.98Å; E260-A264 WeakPolarHBondContact O-CB 3.46Å; E260-A264 PolarHBondContact O-N 3.29Å
261F96.3Very high95.4Very high111 Ų11194.1 Ų94.149%0.48750%0.504SS..Hα-helixtrans-66.2-41.7178.1-69-36.5000113.4K257 V258 A259 Y265K257-F261 HydrophobicContact CD-CD2 4.46Å; K257-F261 HydrophobicContact CD-CE1 4.19Å; K257-F261 HydrophobicContact CD-CE2 3.99Å; K257-F261 HydrophobicContact CD-CZ 3.86Å; K257-F261 HydrophobicContact CG-CD2 4.19Å; K257-F261 HydrophobicContact CG-CE2 3.66Å; K257-F261 HydrophobicContact CG-CZ 3.99Å; K257-F261 VanDerWaalsContact O-CD2 3.23Å; K257-F261 WeakPolarHBondContact O-CD2 3.44Å; K257-F261 WeakPolarHBondContact O-CG 3.34Å; K257-F261 PolarHBondContact O-N 2.86Å; K257-F261 VanDerWaalsContact O-N 3.08Å; V258-F261 PolarHBondContact O-N 2.9Å; A259-F261 VanDerWaalsContact C-N 3.31Å; A259-F261 PolarHBondContact O-N 3.11Å; F261-Y265 WeakPolarHBondContact O-CB 3.45Å; F261-Y265 PolarHBondContact O-N 3.43Å
262L97.4Very high95.3Very high107 Ų10787.2 Ų87.256%0.5647%0.466SS*.Hα-helixtrans-67.9-38.1179.4-70.2175000112.4V258 A259 S266V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CG 4.37Å; V258-L262 WeakPolarHBondContact O-CG 3.47Å; V258-L262 PolarHBondContact O-N 3.18Å; A259-L262 PolarHBondContact O-N 3.48Å; L262-S266 WeakPolarHBondContact O-CB 3.32Å; L262-S266 PolarHBondContact O-N 3.1Å; L262-S266 VanDerWaalsContact O-N 3.09Å; L262-S266 PolarHBondContact O-OG 3.19Å
263I97.1Very high95.4Very high98 Ų9885.4 Ų85.450%0.50344%0.443SS..Hα-helixtrans-64.1-54.5175.1-68.9166.8000109.3A259 Y265 S266 E267A259-I263 WeakPolarHBondContact O-CB 3.16Å; A259-I263 VanDerWaalsContact O-CG1 3.29Å; A259-I263 WeakPolarHBondContact O-CG1 3.28Å; A259-I263 PolarHBondContact O-N 3.42Å; I263-Y265 VanDerWaalsContact C-N 3.29Å; I263-Y265 PolarHBondContact O-N 3.39Å; I263-S266 PolarHBondContact O-N 3.25Å; I263-S266 VanDerWaalsContact O-N 3.09Å; I263-E267 HydrophobicContact CG2-CG 4.19Å; I263-E267 WeakPolarHBondContact CG2-OE1 3.37Å; I263-E267 WeakPolarHBondContact O-CG 3.47Å; I263-E267 PolarHBondContact O-N 3.06Å
264A96Very high95.3Very high32 Ų3282.6 Ų82.626%0.26443%0.427SS..Hα-helixtrans-59.9-39.2179.700000112.4E260 S266 H268E260-A264 WeakPolarHBondContact O-CB 3.46Å; E260-A264 PolarHBondContact O-N 3.29Å; A264-S266 VanDerWaalsContact C-N 3.33Å; A264-S266 PolarHBondContact O-N 3.23Å; A264-H268 WeakPolarHBondContact O-CB 3.43Å; A264-H268 PolarHBondContact O-N 2.9Å; A264-H268 VanDerWaalsContact O-N 3.07Å; A264-H268 PolarHBondContact O-ND1 3.35Å
265Y95.4Very high95.1Very high129 Ų12982.2 Ų82.251%0.50643%0.432SS..Hα-helixtrans-59.5-44.2175.8-179-85.6000112F261 I263 R269F261-Y265 WeakPolarHBondContact O-CB 3.45Å; F261-Y265 PolarHBondContact O-N 3.43Å; I263-Y265 VanDerWaalsContact C-N 3.29Å; I263-Y265 PolarHBondContact O-N 3.39Å; Y265-R269 VanDerWaalsContact CZ-CZ 3.48Å; Y265-R269 PolarHBondContact OH-NE 3.06Å
266S95.6Very high94.9Very high69 Ų6983.6 Ų83.648%0.48343%0.428SS..Hα-helixtrans-68.8-50.2178.6-55.20000111.2L262 I263 A264 H268 R269 T270L262-S266 WeakPolarHBondContact O-CB 3.32Å; L262-S266 PolarHBondContact O-N 3.1Å; L262-S266 VanDerWaalsContact O-N 3.09Å; L262-S266 PolarHBondContact O-OG 3.19Å; I263-S266 PolarHBondContact O-N 3.25Å; I263-S266 VanDerWaalsContact O-N 3.09Å; A264-S266 VanDerWaalsContact C-N 3.33Å; A264-S266 PolarHBondContact O-N 3.23Å; S266-H268 VanDerWaalsContact C-N 3.34Å; S266-H268 PolarHBondContact O-N 2.87Å; S266-R269 CarbonylContact O-C 3.44Å; S266-R269 WeakPolarHBondContact O-CA 2.95Å; S266-R269 PolarHBondContact O-N 3Å; S266-T270 PolarHBondContact O-N 2.89Å; S266-T270 PolarHBondContact O-OG1 3.43Å
267E95Very high94.7Very high127 Ų12785.2 Ų85.259%0.59342%0.423SS*.Hα-helixtrans-57.2-44.1-178.7-74.3178164.700112.6I263 R269 T270I263-E267 HydrophobicContact CG2-CG 4.19Å; I263-E267 WeakPolarHBondContact CG2-OE1 3.37Å; I263-E267 WeakPolarHBondContact O-CG 3.47Å; I263-E267 PolarHBondContact O-N 3.06Å; E267-R269 PolarHBondContact O-N 3.07Å; E267-T270 PolarHBondContact O-N 3.26Å; E267-T270 PolarHBondContact O-OG1 3.07Å
268H91.4Very high94.3Very high107 Ų10788 Ų8850%0.49545%0.445SS..THydrogen-bonded Turntrans-67-19.4177.2-65.6171.4000113.3A264 S266 L311A264-H268 WeakPolarHBondContact O-CB 3.43Å; A264-H268 PolarHBondContact O-N 2.9Å; A264-H268 VanDerWaalsContact O-N 3.07Å; A264-H268 PolarHBondContact O-ND1 3.35Å; S266-H268 VanDerWaalsContact C-N 3.34Å; S266-H268 PolarHBondContact O-N 2.87Å; H268-L311 HydrophobicContact CB-CD2 4.04Å
269R93.6Very high94Very high40 Ų4085.4 Ų85.415%0.15143%0.43CS..THydrogen-bonded Turntrans-103-9.4-178.9-76.8177.8172.774.6-1.1114Y265 S266 E267 E271 F272 D273 L311 S312 E315Y265-R269 VanDerWaalsContact CZ-CZ 3.48Å; Y265-R269 PolarHBondContact OH-NE 3.06Å; S266-R269 CarbonylContact O-C 3.44Å; S266-R269 WeakPolarHBondContact O-CA 2.95Å; S266-R269 PolarHBondContact O-N 3Å; E267-R269 PolarHBondContact O-N 3.07Å; R269-E271 VanDerWaalsContact C-N 3.25Å; R269-E271 PolarHBondContact O-N 3.09Å; R269-F272 WeakPolarHBondContact O-CA 3.49Å; R269-F272 WeakPolarHBondContact O-CB 3.19Å; R269-F272 PolarHBondContact O-N 3.22Å; R269-D273 PolarHBondContact O-N 2.79Å; R269-L311 HydrophobicContact CG-CD1 3.79Å; R269-S312 PolarHBondContact NH2-OG 3.45Å; R269-E315 IonicContact CZ-OE1 3.33Å; R269-E315 IonicContact NE-OE1 2.65Å; R269-E315 PolarHBondContact NE-OE1 2.92Å; R269-E315 IonicContact NH2-OE1 3.48Å; R269-E315 PolarHBondContact NH2-OE1 2.97Å
270T93.9Very high93.5Very high52 Ų5291.5 Ų91.532%0.31945%0.451SS..THydrogen-bonded Turntrans-57.3-33.5-179.7-54.50000113.3S266 E267 F272 D273 F276 K277S266-T270 PolarHBondContact O-N 2.89Å; S266-T270 PolarHBondContact O-OG1 3.43Å; E267-T270 PolarHBondContact O-N 3.26Å; E267-T270 PolarHBondContact O-OG1 3.07Å; T270-F272 PolarHBondContact O-N 3.44Å; T270-D273 PolarHBondContact O-N 2.8Å; T270-F276 HydrophobicContact CG2-CB 4.07Å; T270-K277 WeakPolarHBondContact O-CG 3.32Å
271E90.6Very high93.1Very high85 Ų8590 Ų9040%0.39745%0.451SS..THydrogen-bonded Turntrans-67.9-18.7175.276.1173.6119.900113.3R269 R304 R307R269-E271 VanDerWaalsContact C-N 3.25Å; R269-E271 PolarHBondContact O-N 3.09Å; E271-R304 PolarHBondContact O-NE 3.25Å; E271-R304 PolarHBondContact O-NH2 3.24Å; E271-R307 IonicContact OE2-CZ 2.85Å; E271-R307 IonicContact OE2-NE 3.44Å; E271-R307 PolarHBondContact OE2-NE 3.48Å; E271-R307 IonicContact OE2-NH2 3.99Å
272F91.3Very high92.9Very high23 Ų2385.7 Ų85.710%0.10143%0.434CS..THydrogen-bonded Turntrans-95.9-16.5-178.4-60.9-73.1000113.4R269 T270 R304 R307 R308 L311R269-F272 WeakPolarHBondContact O-CA 3.49Å; R269-F272 WeakPolarHBondContact O-CB 3.19Å; R269-F272 PolarHBondContact O-N 3.22Å; T270-F272 PolarHBondContact O-N 3.44Å; F272-R304 VanDerWaalsContact C-NH2 3.34Å; F272-R304 HydrophobicContact CD1-CG 4.07Å; F272-R304 HydrophobicContact CE1-CG 3.68Å; F272-R304 VanDerWaalsContact CE1-O 3.26Å; F272-R304 WeakPolarHBondContact CE1-O 3.3Å; F272-R304 PolarHBondContact O-NH2 3.05Å; F272-R307 HydrophobicContact CZ-CB 4.27Å; F272-R308 HydrophobicContact CD1-CB 4.23Å; F272-R308 HydrophobicContact CD1-CG 4.19Å; F272-R308 HydrophobicContact CE1-CB 3.72Å; F272-R308 HydrophobicContact CE1-CG 4.15Å; F272-R308 HydrophobicContact CE2-CB 4.47Å; F272-R308 HydrophobicContact CE2-CG 4.49Å; F272-R308 HydrophobicContact CG-CG 4.39Å; F272-R308 HydrophobicContact CZ-CB 3.85Å; F272-R308 HydrophobicContact CZ-CG 4.29Å; F272-L311 HydrophobicContact CD2-CD1 3.77Å; F272-L311 HydrophobicContact CE2-CD1 3.63Å; F272-L311 HydrophobicContact CE2-CD2 4.4Å; F272-L311 HydrophobicContact CE2-CG 4.24Å
273D93.9Very high92.7Very high59 Ų5981.6 Ų81.632%0.31641%0.413SS..  trans-85.7114.5-178.6-168.5-30000111.6R269 T270 L275 F276 K277R269-D273 PolarHBondContact O-N 2.79Å; T270-D273 PolarHBondContact O-N 2.8Å; D273-L275 PolarHBondContact O-N 2.9Å; D273-L275 WeakPolarHBondContact OD1-CB 3.47Å; D273-L275 PolarHBondContact OD1-N 2.62Å; D273-F276 HydrophobicContact CB-CD2 3.95Å; D273-F276 PolarHBondContact O-N 3.35Å; D273-F276 WeakPolarHBondContact OD2-CD2 3.37Å; D273-K277 PolarHBondContact O-N 3.18Å
274H92Very high92.6Very high57 Ų5777.3 Ų77.326%0.26439%0.391SS..THydrogen-bonded Turntrans-71.7-11.1-177.2-58.3150.4000114.7K277 P279 F292 R304H274-K277 WeakPolarHBondContact CA-O 3.32Å; H274-P279 HydrophobicContact CB-CG 4.36Å; H274-F292 AromaticContact CE1-CE1 3.3Å; H274-F292 WeakPolarHBondContact CE1-CE1 3.44Å; H274-F292 AromaticContact CE1-CZ 3.2Å; H274-F292 WeakPolarHBondContact CE1-CZ 3.43Å; H274-F292 AromaticContact NE2-CE1 3.92Å; H274-F292 AromaticContact NE2-CZ 3.39Å; H274-F292 WeakPolarHBondContact NE2-CZ 3.49Å; H274-R304 PolarHBondContact CD2-NH2 3.1Å; H274-R304 VanDerWaalsContact CD2-NH2 3.33Å; H274-R304 PolarHBondContact NE2-NH1 3.21Å; H274-R304 PolarHBondContact NE2-NH2 3.37Å; H274-R304 VanDerWaalsContact NE2-NH2 3.12Å
275L93.6Very high92.6Very high157 Ų15785.3 Ų85.382%0.82242%0.415SS*.THydrogen-bonded Turntrans-77.5-30.7171.3-64.1175000111.8D273D273-L275 PolarHBondContact O-N 2.9Å; D273-L275 WeakPolarHBondContact OD1-CB 3.47Å; D273-L275 PolarHBondContact OD1-N 2.62Å
276F92.8Very high92.6Very high152 Ų15285.8 Ų85.867%0.66743%0.425SS*.THydrogen-bonded Turntrans-100.9-28.2-179.6-63.5-70.7000113.5T270 D273T270-F276 HydrophobicContact CG2-CB 4.07Å; D273-F276 HydrophobicContact CB-CD2 3.95Å; D273-F276 PolarHBondContact O-N 3.35Å; D273-F276 WeakPolarHBondContact OD2-CD2 3.37Å
277K91.7Very high92.5Very high122 Ų12284.4 Ų84.453%0.5342%0.415SS..SBendtrans-132.4117.3-179.8-67.9-64-176.6-175.50110.6T270 D273 H274T270-K277 WeakPolarHBondContact O-CG 3.32Å; D273-K277 PolarHBondContact O-N 3.18Å; H274-K277 WeakPolarHBondContact CA-O 3.32Å
278T90.8Very high92.5Very high113 Ų11385.4 Ų85.469%0.69343%0.425SS*.PPolyproline II helixtrans-56.2125.4178.1-490000110.6
279P90.3Very high92.6Very high3 Ų385.2 Ų85.22%0.01942%0.424CS..PPolyproline II helixtrans-65.2148172.924.3-30.9000111.2H274 P281 S282 N283 F292H274-P279 HydrophobicContact CB-CG 4.36Å; P279-P281 CarbonylContact O-C 3.54Å; P279-S282 CarbonylContact O-C 3.56Å; P279-S282 VanDerWaalsContact O-CA 3.32Å; P279-S282 WeakPolarHBondContact O-CA 3.47Å; P279-S282 PolarHBondContact O-N 3.37Å; P279-N283 HydrophobicContact CG-CB 3.82Å; P279-F292 HydrophobicContact CB-CD1 4.39Å; P279-F292 HydrophobicContact CB-CD2 3.76Å; P279-F292 HydrophobicContact CB-CE1 4.36Å; P279-F292 HydrophobicContact CB-CE2 3.68Å; P279-F292 HydrophobicContact CB-CG 4.13Å; P279-F292 HydrophobicContact CB-CZ 4.02Å
280E86.5Confident92.7Very high169 Ų16986.6 Ų86.679%0.7944%0.437SS*.SBendtrans-95.9132.8169.7-66.4-177.6177.800109.3F292E280-F292 VanDerWaalsContact O-CD2 3.32Å; E280-F292 WeakPolarHBondContact O-CD2 3.44Å
281P88.9Confident92.6Very high79 Ų7988.3 Ų88.351%0.51344%0.444SS..SBendcis-77.4-368.228.9-34.6000114.6P279 D291P279-P281 CarbonylContact O-C 3.54Å; P281-D291 HydrophobicContact CG-CB 3.75Å
282S92.6Very high92.5Very high19 Ų1984.7 Ų84.713%0.13343%0.427CS..  trans-158.3163177.463.30000111P279 P284 S287 Q289P279-S282 CarbonylContact O-C 3.56Å; P279-S282 VanDerWaalsContact O-CA 3.32Å; P279-S282 WeakPolarHBondContact O-CA 3.47Å; P279-S282 PolarHBondContact O-N 3.37Å; S282-P284 VanDerWaalsContact O-CD 3.31Å; S282-P284 WeakPolarHBondContact O-CD 3.37Å; S282-S287 WeakPolarHBondContact CB-OG 3.5Å; S282-S287 WeakPolarHBondContact OG-CB 3.49Å; S282-S287 PolarHBondContact OG-OG 3.1Å; S282-Q289 PolarHBondContact OG-OE1 3.16Å
283N93.8Very high92.5Very high22 Ų2288.4 Ų88.412%0.11844%0.44CS..  trans-77.8116.4172.2-172.7-28.3000109.1P279 W285 I286 S287P279-N283 HydrophobicContact CG-CB 3.82Å; N283-W285 PolarHBondContact O-N 3.5Å; N283-W285 WeakPolarHBondContact OD1-CB 3.43Å; N283-W285 VanDerWaalsContact OD1-CD1 3.26Å; N283-W285 PolarHBondContact OD1-N 3.4Å; N283-W285 VanDerWaalsContact OD1-N 3.09Å; N283-I286 HydrophobicContact CB-CB 4.32Å; N283-I286 HydrophobicContact CB-CD1 4.08Å; N283-I286 HydrophobicContact CB-CG1 4.18Å; N283-I286 PolarHBondContact O-N 3.21Å; N283-S287 PolarHBondContact O-N 3.26Å; N283-S287 PolarHBondContact O-OG 3.4Å
284P95.1Very high92.3Very high7 Ų788.2 Ų88.25%0.04544%0.439CS..Hα-helixtrans-57.5-27.3-176.3-28.138.2000114.2S282 I286 D288 Q289 F292 W293S282-P284 VanDerWaalsContact O-CD 3.31Å; S282-P284 WeakPolarHBondContact O-CD 3.37Å; P284-I286 VanDerWaalsContact C-N 3.28Å; P284-I286 PolarHBondContact O-N 3.08Å; P284-D288 WeakPolarHBondContact O-CA 3.34Å; P284-D288 PolarHBondContact O-N 2.85Å; P284-Q289 VanDerWaalsContact CA-O 3.29Å; P284-Q289 WeakPolarHBondContact CA-O 3.32Å; P284-Q289 VanDerWaalsContact CB-O 3.24Å; P284-Q289 WeakPolarHBondContact CB-O 3.45Å; P284-Q289 WeakPolarHBondContact CG-O 3.36Å; P284-F292 HydrophobicContact CG-CB 3.99Å; P284-F292 HydrophobicContact CG-CD1 4.33Å; P284-W293 HydrophobicContact CB-CD2 4.11Å; P284-W293 HydrophobicContact CB-CE3 4.3Å; P284-W293 HydrophobicContact CB-CH2 3.92Å; P284-W293 HydrophobicContact CB-CZ2 3.7Å; P284-W293 HydrophobicContact CB-CZ3 4.21Å; P284-W293 HydrophobicContact CG-CD2 3.92Å; P284-W293 HydrophobicContact CG-CG 4.17Å; P284-W293 HydrophobicContact CG-CZ2 4.08Å
285W95.6Very high92Very high201 Ų20188 Ų8876%0.76144%0.44SS*.Hα-helixtrans-75.9-14177.9-56.6111.4000114.2N283 W293N283-W285 PolarHBondContact O-N 3.5Å; N283-W285 WeakPolarHBondContact OD1-CB 3.43Å; N283-W285 VanDerWaalsContact OD1-CD1 3.26Å; N283-W285 PolarHBondContact OD1-N 3.4Å; N283-W285 VanDerWaalsContact OD1-N 3.09Å; W285-W293 HydrophobicContact CD2-CH2 4.41Å; W285-W293 HydrophobicContact CD2-CZ2 4.28Å; W285-W293 AromaticContact CE2-CH2 3.97Å; W285-W293 AromaticContact CE2-CZ2 3.59Å; W285-W293 AromaticContact CH2-CH2 3.96Å; W285-W293 HydrophobicContact CH2-CH2 3.96Å; W285-W293 HydrophobicContact CH2-CZ2 4.3Å; W285-W293 AromaticContact CZ2-CH2 3.74Å; W285-W293 HydrophobicContact CZ2-CH2 3.74Å; W285-W293 AromaticContact CZ2-CZ2 3.61Å; W285-W293 HydrophobicContact CZ2-CZ2 3.61Å; W285-W293 HydrophobicContact CZ3-CH2 4.38Å; W285-W293 AromaticContact NE1-CZ2 3.72Å
286I95.1Very high91.4Very high139 Ų13984.8 Ų84.871%0.71342%0.421SS*.Hα-helixtrans-107.3-37.7179-59.9177.3000110.4N283 P284N283-I286 HydrophobicContact CB-CB 4.32Å; N283-I286 HydrophobicContact CB-CD1 4.08Å; N283-I286 HydrophobicContact CB-CG1 4.18Å; N283-I286 PolarHBondContact O-N 3.21Å; P284-I286 VanDerWaalsContact C-N 3.28Å; P284-I286 PolarHBondContact O-N 3.08Å
287S94.8Very high91Very high39 Ų3986.9 Ų86.927%0.27342%0.424SS..Hα-helixtrans-97.1-12.2-174.361.30000114.6S282 N283 Q289S282-S287 WeakPolarHBondContact CB-OG 3.5Å; S282-S287 WeakPolarHBondContact OG-CB 3.49Å; S282-S287 PolarHBondContact OG-OG 3.1Å; N283-S287 PolarHBondContact O-N 3.26Å; N283-S287 PolarHBondContact O-OG 3.4Å; S287-Q289 PolarHBondContact O-N 2.87Å; S287-Q289 VanDerWaalsContact O-N 3.14Å; S287-Q289 PolarHBondContact OG-N 2.49Å
288D94.6Very high90.4Very high149 Ų14985.1 Ų85.180%0.79742%0.423SS*.  trans55.819.2-168.4-61.4-36.4000114P284P284-D288 WeakPolarHBondContact O-CA 3.34Å; P284-D288 PolarHBondContact O-N 2.85Å
289Q93.6Very high89.5Confident103 Ų10381.3 Ų81.348%0.48141%0.407SS..  trans-105.6126.3176.5-65.6-179.9-36.400110.8S282 P284 S287S282-Q289 PolarHBondContact OG-OE1 3.16Å; P284-Q289 VanDerWaalsContact CA-O 3.29Å; P284-Q289 WeakPolarHBondContact CA-O 3.32Å; P284-Q289 VanDerWaalsContact CB-O 3.24Å; P284-Q289 WeakPolarHBondContact CB-O 3.45Å; P284-Q289 WeakPolarHBondContact CG-O 3.36Å; S287-Q289 PolarHBondContact O-N 2.87Å; S287-Q289 VanDerWaalsContact O-N 3.14Å; S287-Q289 PolarHBondContact OG-N 2.49Å
290T94.8Very high88.7Confident68 Ų6887.2 Ų87.242%0.41743%0.434SS..  trans-89.72-175.659.90000114.6F292 W293 D294T290-F292 PolarHBondContact O-N 3.1Å; T290-W293 HydrophobicContact CG2-CE3 3.9Å; T290-W293 HydrophobicContact CG2-CZ3 4.05Å; T290-W293 PolarHBondContact O-N 3.44Å; T290-D294 PolarHBondContact O-N 2.8Å; T290-D294 PolarHBondContact OG1-OD2 3.02Å
291D91.4Very high88.5Confident88 Ų8882.3 Ų82.347%0.47141%0.413SS..Hα-helixtrans-50.5-38.6-175.1-63-18.8000113P281 D294 L295P281-D291 HydrophobicContact CG-CB 3.75Å; D291-D294 PolarHBondContact O-N 3.05Å; D291-L295 WeakPolarHBondContact O-CB 3.35Å; D291-L295 PolarHBondContact O-N 3.08Å
292F89.6Confident88.3Confident9 Ų980 Ų804%0.03940%0.396CS..Hα-helixtrans-61.2-44.9176.5176.7-103.8000112.5H274 P279 E280 P284 T290 L295 E296H274-F292 AromaticContact CE1-CE1 3.3Å; H274-F292 WeakPolarHBondContact CE1-CE1 3.44Å; H274-F292 AromaticContact CE1-CZ 3.2Å; H274-F292 WeakPolarHBondContact CE1-CZ 3.43Å; H274-F292 AromaticContact NE2-CE1 3.92Å; H274-F292 AromaticContact NE2-CZ 3.39Å; H274-F292 WeakPolarHBondContact NE2-CZ 3.49Å; P279-F292 HydrophobicContact CB-CD1 4.39Å; P279-F292 HydrophobicContact CB-CD2 3.76Å; P279-F292 HydrophobicContact CB-CE1 4.36Å; P279-F292 HydrophobicContact CB-CE2 3.68Å; P279-F292 HydrophobicContact CB-CG 4.13Å; P279-F292 HydrophobicContact CB-CZ 4.02Å; E280-F292 VanDerWaalsContact O-CD2 3.32Å; E280-F292 WeakPolarHBondContact O-CD2 3.44Å; P284-F292 HydrophobicContact CG-CB 3.99Å; P284-F292 HydrophobicContact CG-CD1 4.33Å; T290-F292 PolarHBondContact O-N 3.1Å; F292-L295 PolarHBondContact O-N 3.05Å; F292-E296 HydrophobicContact CE1-CG 4.35Å; F292-E296 HydrophobicContact CE2-CG 4.45Å; F292-E296 VanDerWaalsContact CZ-CD 3.49Å; F292-E296 HydrophobicContact CZ-CG 4.07Å; F292-E296 WeakPolarHBondContact CZ-OE1 3.32Å; F292-E296 PolarHBondContact O-N 3.14Å; F292-E296 VanDerWaalsContact O-N 3.17Å
293W91.1Very high87.9Confident101 Ų10179.8 Ų79.838%0.38340%0.395SS..Hα-helixtrans-70.4-36.7177.6-64.6-25.1000112.2P284 W285 T290 L295 E296 R297P284-W293 HydrophobicContact CB-CD2 4.11Å; P284-W293 HydrophobicContact CB-CE3 4.3Å; P284-W293 HydrophobicContact CB-CH2 3.92Å; P284-W293 HydrophobicContact CB-CZ2 3.7Å; P284-W293 HydrophobicContact CB-CZ3 4.21Å; P284-W293 HydrophobicContact CG-CD2 3.92Å; P284-W293 HydrophobicContact CG-CG 4.17Å; P284-W293 HydrophobicContact CG-CZ2 4.08Å; W285-W293 HydrophobicContact CD2-CH2 4.41Å; W285-W293 HydrophobicContact CD2-CZ2 4.28Å; W285-W293 AromaticContact CE2-CH2 3.97Å; W285-W293 AromaticContact CE2-CZ2 3.59Å; W285-W293 AromaticContact CH2-CH2 3.96Å; W285-W293 HydrophobicContact CH2-CH2 3.96Å; W285-W293 HydrophobicContact CH2-CZ2 4.3Å; W285-W293 AromaticContact CZ2-CH2 3.74Å; W285-W293 HydrophobicContact CZ2-CH2 3.74Å; W285-W293 AromaticContact CZ2-CZ2 3.61Å; W285-W293 HydrophobicContact CZ2-CZ2 3.61Å; W285-W293 HydrophobicContact CZ3-CH2 4.38Å; W285-W293 AromaticContact NE1-CZ2 3.72Å; T290-W293 HydrophobicContact CG2-CE3 3.9Å; T290-W293 HydrophobicContact CG2-CZ3 4.05Å; T290-W293 PolarHBondContact O-N 3.44Å; W293-L295 VanDerWaalsContact C-N 3.32Å; W293-E296 PolarHBondContact O-N 3.31Å; W293-R297 WeakPolarHBondContact O-CB 3.28Å; W293-R297 PolarHBondContact O-N 3.02Å
294D89.8Confident87.7Confident56 Ų5681.3 Ų81.330%0.29940%0.399SS..Hα-helixtrans-63-41.3175-77.6-51000110.9T290 D291 E296 R297 T298T290-D294 PolarHBondContact O-N 2.8Å; T290-D294 PolarHBondContact OG1-OD2 3.02Å; D291-D294 PolarHBondContact O-N 3.05Å; D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.49Å; D294-R297 PolarHBondContact O-N 2.91Å; D294-R297 VanDerWaalsContact O-N 3.17Å; D294-R297 IonicContact OD1-CZ 3.58Å; D294-R297 IonicContact OD1-NE 3.53Å; D294-R297 IonicContact OD1-NH2 3.18Å; D294-R297 PolarHBondContact OD1-NH2 2.82Å; D294-T298 VanDerWaalsContact O-CG2 3.28Å; D294-T298 WeakPolarHBondContact O-CG2 3.27Å; D294-T298 PolarHBondContact O-N 3.21Å; D294-T298 PolarHBondContact O-OG1 3.44Å
295L84.9Confident87.4Confident53 Ų5383.6 Ų83.628%0.27741%0.407SS..Hα-helixtrans-60.9-38.4173.7-172.867.7000112.8D291 F292 W293 T298 E300D291-L295 WeakPolarHBondContact O-CB 3.35Å; D291-L295 PolarHBondContact O-N 3.08Å; F292-L295 PolarHBondContact O-N 3.05Å; W293-L295 VanDerWaalsContact C-N 3.32Å; L295-T298 PolarHBondContact O-OG1 3.38Å; L295-T298 VanDerWaalsContact O-OG1 3.13Å; L295-E300 HydrophobicContact CD1-CB 4.46Å
296E82.5Confident87.3Confident88 Ų8874 Ų7441%0.41137%0.37SS..Hα-helixtrans-70.4-34.6175.7-70.3-165.714600112.3F292 W293 D294 R305F292-E296 HydrophobicContact CE1-CG 4.35Å; F292-E296 HydrophobicContact CE2-CG 4.45Å; F292-E296 VanDerWaalsContact CZ-CD 3.49Å; F292-E296 HydrophobicContact CZ-CG 4.07Å; F292-E296 WeakPolarHBondContact CZ-OE1 3.32Å; F292-E296 PolarHBondContact O-N 3.14Å; F292-E296 VanDerWaalsContact O-N 3.17Å; W293-E296 PolarHBondContact O-N 3.31Å; D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.49Å; E296-R305 PolarHBondContact O-NH1 2.84Å
297R82.9Confident87.3Confident197 Ų19771.5 Ų71.574%0.74335%0.352SS*.Hα-helixtrans-77.7-35.6-177.6-173.917664.6114.8-2.1113.9W293 D294 G299W293-R297 WeakPolarHBondContact O-CB 3.28Å; W293-R297 PolarHBondContact O-N 3.02Å; D294-R297 PolarHBondContact O-N 2.91Å; D294-R297 VanDerWaalsContact O-N 3.17Å; D294-R297 IonicContact OD1-CZ 3.58Å; D294-R297 IonicContact OD1-NE 3.53Å; D294-R297 IonicContact OD1-NH2 3.18Å; D294-R297 PolarHBondContact OD1-NH2 2.82Å; R297-G299 PolarHBondContact O-N 3.04Å; R297-G299 VanDerWaalsContact O-N 3.09Å
298T79.5Confident87.2Confident84 Ų8474.8 Ų74.852%0.51536%0.358SS..SBendtrans-61.6-18.2178.854.20000112.3D294 L295 E300D294-T298 VanDerWaalsContact O-CG2 3.28Å; D294-T298 WeakPolarHBondContact O-CG2 3.27Å; D294-T298 PolarHBondContact O-N 3.21Å; D294-T298 PolarHBondContact O-OG1 3.44Å; L295-T298 PolarHBondContact O-OG1 3.38Å; L295-T298 VanDerWaalsContact O-OG1 3.13Å; T298-E300 PolarHBondContact O-N 2.96Å; T298-E300 PolarHBondContact OG1-N 3.2Å
299G72Confident87.3Confident33 Ų3367.8 Ų67.834%0.3432%0.321SS..  trans75.16.9-175.400000112.5R297 L301R297-G299 PolarHBondContact O-N 3.04Å; R297-G299 VanDerWaalsContact O-N 3.09Å; G299-L301 PolarHBondContact O-N 2.91Å
300E74.2Confident87.4Confident127 Ų12764.8 Ų64.859%0.59331%0.314SS*.  trans-61.3125.5174.8-73.2-171.6175.200109.8L295 T298 N302L295-E300 HydrophobicContact CD1-CB 4.46Å; T298-E300 PolarHBondContact O-N 2.96Å; T298-E300 PolarHBondContact OG1-N 3.2Å; E300-N302 PolarHBondContact O-N 2.98Å
301L81.8Confident87.4Confident66 Ų6663.7 Ų63.735%0.34631%0.305SS..  trans-74.6109.3178.1-67.6179.6000109G299 V306 W309 A321 L426G299-L301 PolarHBondContact O-N 2.91Å; L301-V306 HydrophobicContact CB-CG2 4.19Å; L301-V306 HydrophobicContact CD2-CG2 4.22Å; L301-W309 HydrophobicContact CD1-CH2 4.25Å; L301-W309 HydrophobicContact CD2-CH2 3.65Å; L301-W309 HydrophobicContact CD2-CZ2 3.64Å; L301-A321 HydrophobicContact CD2-CB 3.69Å; L301-L426 HydrophobicContact CD1-CD2 4.02Å
302N83.8Confident87.6Confident31 Ų3160.7 Ų60.717%0.16629%0.291CS..  trans-97.2156.1164.266.751.9000110.6E300 R304 R305 V306 E430E300-N302 PolarHBondContact O-N 2.98Å; N302-R304 PolarHBondContact O-N 3.02Å; N302-R304 WeakPolarHBondContact OD1-CB 3.46Å; N302-R304 PolarHBondContact OD1-N 3.45Å; N302-R305 PolarHBondContact O-N 3.4Å; N302-R305 VanDerWaalsContact OD1-CB 3.3Å; N302-R305 WeakPolarHBondContact OD1-CB 3.42Å; N302-R305 PolarHBondContact OD1-N 2.9Å; N302-V306 WeakPolarHBondContact O-CG2 3.29Å; N302-V306 PolarHBondContact O-N 3.41Å; N302-V306 VanDerWaalsContact O-N 3.11Å; N302-E430 WeakPolarHBondContact CA-OE1 3.16Å; N302-E430 WeakPolarHBondContact CB-OE1 3.28Å
303S86.1Confident88Confident15 Ų1560.3 Ų60.311%0.10529%0.289CS..Hα-helixtrans-61.5-33.2-174.666.30000112V306 R307 E430S303-V306 PolarHBondContact O-N 3.47Å; S303-R307 VanDerWaalsContact C-NH1 3.29Å; S303-R307 WeakPolarHBondContact O-CB 3.38Å; S303-R307 VanDerWaalsContact O-CG 3.3Å; S303-R307 WeakPolarHBondContact O-CG 3.47Å; S303-R307 PolarHBondContact O-N 3.27Å; S303-R307 PolarHBondContact O-NH1 3.03Å; S303-R307 PolarHBondContact OG-NH1 2.74Å; S303-E430 VanDerWaalsContact CB-CD 3.43Å; S303-E430 WeakPolarHBondContact CB-OE2 3.43Å; S303-E430 PolarHBondContact N-OE1 2.92Å; S303-E430 VanDerWaalsContact OG-CD 3.28Å; S303-E430 PolarHBondContact OG-OE1 3.26Å; S303-E430 PolarHBondContact OG-OE2 2.91Å
304R88Confident88.3Confident53 Ų5359.2 Ų59.220%0.229%0.291CS..Hα-helixtrans-61.7-53.2176.6-177.5177.1177.6-97.87.6110.6E271 F272 H274 N302 V306 R307 R308E271-R304 PolarHBondContact O-NE 3.25Å; E271-R304 PolarHBondContact O-NH2 3.24Å; F272-R304 VanDerWaalsContact C-NH2 3.34Å; F272-R304 HydrophobicContact CD1-CG 4.07Å; F272-R304 HydrophobicContact CE1-CG 3.68Å; F272-R304 VanDerWaalsContact CE1-O 3.26Å; F272-R304 WeakPolarHBondContact CE1-O 3.3Å; F272-R304 PolarHBondContact O-NH2 3.05Å; H274-R304 PolarHBondContact CD2-NH2 3.1Å; H274-R304 VanDerWaalsContact CD2-NH2 3.33Å; H274-R304 PolarHBondContact NE2-NH1 3.21Å; H274-R304 PolarHBondContact NE2-NH2 3.37Å; H274-R304 VanDerWaalsContact NE2-NH2 3.12Å; N302-R304 PolarHBondContact O-N 3.02Å; N302-R304 WeakPolarHBondContact OD1-CB 3.46Å; N302-R304 PolarHBondContact OD1-N 3.45Å; R304-V306 VanDerWaalsContact C-N 3.33Å; R304-V306 PolarHBondContact O-N 3.18Å; R304-R307 PolarHBondContact O-N 2.97Å; R304-R308 PolarHBondContact O-N 3.36Å
305R89.8Confident88.6Confident55 Ų5557.5 Ų57.521%0.20828%0.281CS..Hα-helixtrans-56.7-45.4177.4-177.7176.3178.6165.32.7111.6E296 N302 R308 W309 D319E296-R305 PolarHBondContact O-NH1 2.84Å; N302-R305 PolarHBondContact O-N 3.4Å; N302-R305 VanDerWaalsContact OD1-CB 3.3Å; N302-R305 WeakPolarHBondContact OD1-CB 3.42Å; N302-R305 PolarHBondContact OD1-N 2.9Å; R305-R308 VanDerWaalsContact O-CB 3.23Å; R305-R308 WeakPolarHBondContact O-CB 3.39Å; R305-R308 PolarHBondContact O-N 2.97Å; R305-W309 PolarHBondContact O-NE1 2.64Å; R305-D319 WeakPolarHBondContact CG-OD2 3.31Å; R305-D319 IonicContact CZ-OD1 3.99Å; R305-D319 IonicContact CZ-OD2 3.19Å; R305-D319 IonicContact NE-OD1 3.41Å; R305-D319 PolarHBondContact NE-OD1 3.13Å; R305-D319 IonicContact NE-OD2 2.94Å; R305-D319 PolarHBondContact NE-OD2 2.83Å; R305-D319 IonicContact NH2-OD1 3.55Å; R305-D319 PolarHBondContact NH2-OD1 3.41Å; R305-D319 IonicContact NH2-OD2 3.47Å
306V93.8Very high89.2Confident0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-64.7-42178.6178.90000111.7L301 N302 S303 R304 R308 W309 Y423 L426 I427L301-V306 HydrophobicContact CB-CG2 4.19Å; L301-V306 HydrophobicContact CD2-CG2 4.22Å; N302-V306 WeakPolarHBondContact O-CG2 3.29Å; N302-V306 PolarHBondContact O-N 3.41Å; N302-V306 VanDerWaalsContact O-N 3.11Å; S303-V306 PolarHBondContact O-N 3.47Å; R304-V306 VanDerWaalsContact C-N 3.33Å; R304-V306 PolarHBondContact O-N 3.18Å; V306-R308 PolarHBondContact O-N 3.44Å; V306-W309 HydrophobicContact CG1-CE3 4.03Å; V306-W309 HydrophobicContact CG1-CZ3 4.16Å; V306-W309 HydrophobicContact CG2-CH2 4.17Å; V306-W309 HydrophobicContact CG2-CZ2 4.4Å; V306-W309 HydrophobicContact CG2-CZ3 4.32Å; V306-W309 WeakPolarHBondContact O-CB 3.3Å; V306-W309 PolarHBondContact O-N 3.36Å; V306-W309 VanDerWaalsContact O-N 3.1Å; V306-Y423 HydrophobicContact CG1-CD2 4.08Å; V306-Y423 HydrophobicContact CG1-CE2 3.59Å; V306-Y423 PolarHBondContact O-OH 2.98Å; V306-Y423 VanDerWaalsContact O-OH 3.13Å; V306-L426 HydrophobicContact CG1-CB 3.88Å; V306-L426 HydrophobicContact CG2-CB 4.4Å; V306-I427 HydrophobicContact CB-CG1 4.48Å; V306-I427 HydrophobicContact CG1-CG1 3.72Å
307R93.6Very high89.9Confident86 Ų8651.1 Ų51.133%0.32525%0.25SC..Hα-helixtrans-57.7-34.1176.3-79.2-167.4-55.3-81.97.5112.5E271 F272 S303 R304 W309 A310 I427E271-R307 IonicContact OE2-CZ 2.85Å; E271-R307 IonicContact OE2-NE 3.44Å; E271-R307 PolarHBondContact OE2-NE 3.48Å; E271-R307 IonicContact OE2-NH2 3.99Å; F272-R307 HydrophobicContact CZ-CB 4.27Å; S303-R307 VanDerWaalsContact C-NH1 3.29Å; S303-R307 WeakPolarHBondContact O-CB 3.38Å; S303-R307 VanDerWaalsContact O-CG 3.3Å; S303-R307 WeakPolarHBondContact O-CG 3.47Å; S303-R307 PolarHBondContact O-N 3.27Å; S303-R307 PolarHBondContact O-NH1 3.03Å; S303-R307 PolarHBondContact OG-NH1 2.74Å; R304-R307 PolarHBondContact O-N 2.97Å; R307-W309 PolarHBondContact O-N 3.16Å; R307-A310 PolarHBondContact O-N 2.91Å; R307-I427 HydrophobicContact CG-CG2 4.41Å
308R94.1Very high90.4Very high109 Ų10945.4 Ų45.441%0.41124%0.24SC..Hα-helixtrans-59.9-32.9179-164175.8163.7-179.7-6.7112.3F272 R304 R305 V306 A310 L311 E315F272-R308 HydrophobicContact CD1-CB 4.23Å; F272-R308 HydrophobicContact CD1-CG 4.19Å; F272-R308 HydrophobicContact CE1-CB 3.72Å; F272-R308 HydrophobicContact CE1-CG 4.15Å; F272-R308 HydrophobicContact CE2-CB 4.47Å; F272-R308 HydrophobicContact CE2-CG 4.49Å; F272-R308 HydrophobicContact CG-CG 4.39Å; F272-R308 HydrophobicContact CZ-CB 3.85Å; F272-R308 HydrophobicContact CZ-CG 4.29Å; R304-R308 PolarHBondContact O-N 3.36Å; R305-R308 VanDerWaalsContact O-CB 3.23Å; R305-R308 WeakPolarHBondContact O-CB 3.39Å; R305-R308 PolarHBondContact O-N 2.97Å; V306-R308 PolarHBondContact O-N 3.44Å; R308-A310 PolarHBondContact O-N 2.72Å; R308-L311 HydrophobicContact CG-CD1 4.06Å; R308-L311 VanDerWaalsContact O-CB 3.31Å; R308-L311 WeakPolarHBondContact O-CB 3.49Å; R308-L311 WeakPolarHBondContact O-CG 3.46Å; R308-L311 PolarHBondContact O-N 3.2Å; R308-L311 VanDerWaalsContact O-N 3.08Å; R308-E315 HydrophobicContact CG-CB 4.44Å; R308-E315 HydrophobicContact CG-CG 4.44Å; R308-E315 IonicContact CZ-OE2 2.83Å; R308-E315 IonicContact NE-OE2 3.25Å; R308-E315 PolarHBondContact NE-OE2 3.17Å; R308-E315 IonicContact NH2-OE1 2.86Å; R308-E315 IonicContact NH2-OE2 2.8Å; R308-E315 PolarHBondContact NH2-OE2 3.2Å; R308-E315 VanDerWaalsContact O-CB 3.28Å; R308-E315 WeakPolarHBondContact O-CB 3.2Å
309W96Very high91.1Very high2 Ų242.4 Ų42.41%0.00822%0.221CC..THydrogen-bonded Turntrans-62.3-27.7179.4-56.6-13.8000113.3L301 R305 V306 R307 L311 L316 D319 A321 G322 C325 Y414 F417 Y423 L426L301-W309 HydrophobicContact CD1-CH2 4.25Å; L301-W309 HydrophobicContact CD2-CH2 3.65Å; L301-W309 HydrophobicContact CD2-CZ2 3.64Å; R305-W309 PolarHBondContact O-NE1 2.64Å; V306-W309 HydrophobicContact CG1-CE3 4.03Å; V306-W309 HydrophobicContact CG1-CZ3 4.16Å; V306-W309 HydrophobicContact CG2-CH2 4.17Å; V306-W309 HydrophobicContact CG2-CZ2 4.4Å; V306-W309 HydrophobicContact CG2-CZ3 4.32Å; V306-W309 WeakPolarHBondContact O-CB 3.3Å; V306-W309 PolarHBondContact O-N 3.36Å; V306-W309 VanDerWaalsContact O-N 3.1Å; R307-W309 PolarHBondContact O-N 3.16Å; W309-L311 VanDerWaalsContact C-N 3.31Å; W309-L316 HydrophobicContact CB-CB 4.12Å; W309-L316 HydrophobicContact CB-CD1 3.83Å; W309-L316 HydrophobicContact CD2-CD1 3.8Å; W309-L316 HydrophobicContact CE3-CD1 3.84Å; W309-L316 HydrophobicContact CG-CD1 3.8Å; W309-D319 VanDerWaalsContact NE1-CG 3.34Å; W309-D319 PolarHBondContact NE1-OD2 3.43Å; W309-A321 HydrophobicContact CZ2-CB 4.27Å; W309-G322 VanDerWaalsContact CZ2-N 3.3Å; W309-C325 HydrophobicContact CH2-CB 4.3Å; W309-C325 HydrophobicContact CZ3-CB 4.04Å; W309-Y414 PolarHBondContact O-OH 3.28Å; W309-F417 HydrophobicContact CE3-CE1 4.42Å; W309-F417 HydrophobicContact CE3-CZ 4.36Å; W309-F417 HydrophobicContact CZ3-CZ 4.5Å; W309-Y423 HydrophobicContact CB-CE2 4.4Å; W309-Y423 HydrophobicContact CE3-CD2 4.43Å; W309-Y423 HydrophobicContact CE3-CE2 4.24Å; W309-L426 HydrophobicContact CZ3-CD1 4.02Å
310A95.8Very high92Very high40 Ų4044.5 Ų44.533%0.33123%0.227SC..THydrogen-bonded Turntrans-76.8-14.8177.300000113.9R307 R308 S312 Y414 I418 Y423R307-A310 PolarHBondContact O-N 2.91Å; R308-A310 PolarHBondContact O-N 2.72Å; A310-S312 VanDerWaalsContact C-N 3.33Å; A310-S312 PolarHBondContact O-N 3.08Å; A310-Y414 WeakPolarHBondContact CA-OH 3.37Å; A310-Y414 PolarHBondContact O-OH 3.01Å; A310-Y414 VanDerWaalsContact O-OH 3.13Å; A310-I418 HydrophobicContact CB-CD1 4.1Å; A310-I418 HydrophobicContact CB-CG2 3.92Å; A310-Y423 HydrophobicContact CB-CE1 4.38Å; A310-Y423 VanDerWaalsContact CB-OH 3.22Å; A310-Y423 WeakPolarHBondContact CB-OH 3.47Å
311L94.7Very high92.9Very high45 Ų4539.1 Ų39.124%0.23621%0.205CC..THydrogen-bonded Turntrans-65.9-37.4-178.7-63.2-175.9000112H268 R269 F272 R308 W309 E315H268-L311 HydrophobicContact CB-CD2 4.04Å; R269-L311 HydrophobicContact CG-CD1 3.79Å; F272-L311 HydrophobicContact CD2-CD1 3.77Å; F272-L311 HydrophobicContact CE2-CD1 3.63Å; F272-L311 HydrophobicContact CE2-CD2 4.4Å; F272-L311 HydrophobicContact CE2-CG 4.24Å; R308-L311 HydrophobicContact CG-CD1 4.06Å; R308-L311 VanDerWaalsContact O-CB 3.31Å; R308-L311 WeakPolarHBondContact O-CB 3.49Å; R308-L311 WeakPolarHBondContact O-CG 3.46Å; R308-L311 PolarHBondContact O-N 3.2Å; R308-L311 VanDerWaalsContact O-N 3.08Å; W309-L311 VanDerWaalsContact C-N 3.31Å; L311-E315 HydrophobicContact CB-CG 4.1Å
312S95.7Very high93.5Very high25 Ų2536 Ų3618%0.17519%0.188CC..  trans-167.2159.5172.763.30000110.9R269 A310 D314 E315 L316R269-S312 PolarHBondContact NH2-OG 3.45Å; A310-S312 VanDerWaalsContact C-N 3.33Å; A310-S312 PolarHBondContact O-N 3.08Å; S312-D314 PolarHBondContact O-N 3Å; S312-E315 WeakPolarHBondContact O-CB 3.48Å; S312-E315 PolarHBondContact O-N 3.42Å; S312-E315 WeakPolarHBondContact OG-CG 3.4Å; S312-E315 PolarHBondContact OG-N 3.46Å; S312-L316 PolarHBondContact O-N 2.86Å
313F97.8Very high94.1Very high1 Ų137.2 Ų37.20%0.00419%0.191CC..Hα-helixtrans-59.1-32.2175.8-170.6-142000112.3E315 L316 L317 F326 Y406 M409 K410 Y414F313-E315 PolarHBondContact O-N 3.29Å; F313-L316 HydrophobicContact CD2-CD2 4.12Å; F313-L316 HydrophobicContact CE2-CD2 4.21Å; F313-L316 WeakPolarHBondContact O-CB 3.48Å; F313-L316 PolarHBondContact O-N 3Å; F313-L317 HydrophobicContact CD1-CD1 3.98Å; F313-L317 HydrophobicContact CD2-CD1 4.4Å; F313-L317 HydrophobicContact CD2-CG 4.08Å; F313-L317 HydrophobicContact CE1-CD1 3.64Å; F313-L317 HydrophobicContact CE1-CG 4.29Å; F313-L317 HydrophobicContact CE2-CD1 4.08Å; F313-L317 HydrophobicContact CE2-CD2 3.86Å; F313-L317 HydrophobicContact CE2-CG 3.81Å; F313-L317 HydrophobicContact CG-CD1 4.36Å; F313-L317 HydrophobicContact CG-CG 4.43Å; F313-L317 HydrophobicContact CZ-CD1 3.69Å; F313-L317 HydrophobicContact CZ-CD2 3.96Å; F313-L317 HydrophobicContact CZ-CG 3.93Å; F313-L317 WeakPolarHBondContact O-CG 3.32Å; F313-L317 PolarHBondContact O-N 3.46Å; F313-F326 HydrophobicContact CE2-CD1 4.1Å; F313-F326 AromaticContact CE2-CE1 3.5Å; F313-F326 HydrophobicContact CE2-CE1 3.5Å; F313-F326 AromaticContact CE2-CZ 3.9Å; F313-F326 HydrophobicContact CE2-CZ 3.9Å; F313-F326 AromaticContact CZ-CE1 3.8Å; F313-F326 HydrophobicContact CZ-CE1 3.8Å; F313-F326 HydrophobicContact CZ-CZ 4.3Å; F313-Y406 AromaticContact CD1-CD2 3.88Å; F313-Y406 HydrophobicContact CD1-CD2 3.88Å; F313-Y406 HydrophobicContact CD1-CE1 4.44Å; F313-Y406 AromaticContact CD1-CE2 3.48Å; F313-Y406 HydrophobicContact CD1-CE2 3.48Å; F313-Y406 VanDerWaalsContact CD1-CE2 3.48Å; F313-Y406 AromaticContact CD1-CZ 3.79Å; F313-Y406 AromaticContact CE1-CD2 3.77Å; F313-Y406 HydrophobicContact CE1-CD2 3.77Å; F313-Y406 AromaticContact CE1-CE2 3.87Å; F313-Y406 HydrophobicContact CE1-CE2 3.87Å; F313-Y406 HydrophobicContact CE1-CG 4.37Å; F313-Y406 HydrophobicContact CG-CE2 4.48Å; F313-M409 HydrophobicContact CE1-CB 3.84Å; F313-M409 HydrophobicContact CE1-CE 4.37Å; F313-M409 HydrophobicContact CZ-CB 3.6Å; F313-M409 HydrophobicContact CZ-CE 4.13Å; F313-M409 HydrophobicContact CZ-SD 4.38Å; F313-K410 HydrophobicContact CB-CB 4.47Å; F313-K410 HydrophobicContact CB-CD 4.42Å; F313-K410 HydrophobicContact CB-CG 4.06Å; F313-K410 HydrophobicContact CD1-CB 3.59Å; F313-K410 HydrophobicContact CD1-CD 4.41Å; F313-K410 HydrophobicContact CD1-CG 4.08Å; F313-K410 HydrophobicContact CE1-CB 4.1Å; F313-K410 HydrophobicContact CG-CB 4.26Å; F313-K410 HydrophobicContact CG-CG 4.39Å; F313-Y414 HydrophobicContact CB-CD1 3.93Å; F313-Y414 HydrophobicContact CB-CD2 4.33Å; F313-Y414 HydrophobicContact CB-CE1 4.09Å; F313-Y414 HydrophobicContact CB-CE2 4.44Å; F313-Y414 HydrophobicContact CB-CG 4.08Å; F313-Y414 HydrophobicContact CD2-CD1 4.3Å; F313-Y414 AromaticContact CD2-CD2 3.53Å; F313-Y414 HydrophobicContact CD2-CD2 3.53Å; F313-Y414 HydrophobicContact CD2-CE2 4.23Å; F313-Y414 AromaticContact CD2-CG 3.58Å; F313-Y414 HydrophobicContact CD2-CG 3.58Å; F313-Y414 HydrophobicContact CE2-CD2 4.28Å; F313-Y414 HydrophobicContact CE2-CG 4.29Å; F313-Y414 HydrophobicContact CG-CD1 4.34Å; F313-Y414 HydrophobicContact CG-CD2 4.31Å; F313-Y414 HydrophobicContact CG-CG 4.04Å
314D97.1Very high94.5Very high78 Ų7841.7 Ų41.742%0.41721%0.21SC..Hα-helixtrans-65.1-35.9175.7-54.1-69.9000112.7S312 L317 S318 Y406S312-D314 PolarHBondContact O-N 3Å; D314-L317 PolarHBondContact O-N 3.12Å; D314-S318 VanDerWaalsContact O-CB 3.27Å; D314-S318 WeakPolarHBondContact O-CB 3.48Å; D314-S318 PolarHBondContact O-N 3.11Å; D314-S318 PolarHBondContact O-OG 3.44Å; D314-S318 VanDerWaalsContact O-OG 3.1Å; D314-Y406 PolarHBondContact OD1-OH 2.87Å; D314-Y406 PolarHBondContact OD2-OH 3.14Å
315E96.3Very high94.8Very high20 Ų2039.8 Ų39.89%0.09320%0.204CC..Hα-helixtrans-65.9-41.6174.6-63.1-71.717300110.7R269 R308 L311 S312 F313 S318 D319R269-E315 IonicContact CZ-OE1 3.33Å; R269-E315 IonicContact NE-OE1 2.65Å; R269-E315 PolarHBondContact NE-OE1 2.92Å; R269-E315 IonicContact NH2-OE1 3.48Å; R269-E315 PolarHBondContact NH2-OE1 2.97Å; R308-E315 HydrophobicContact CG-CB 4.44Å; R308-E315 HydrophobicContact CG-CG 4.44Å; R308-E315 IonicContact CZ-OE2 2.83Å; R308-E315 IonicContact NE-OE2 3.25Å; R308-E315 PolarHBondContact NE-OE2 3.17Å; R308-E315 IonicContact NH2-OE1 2.86Å; R308-E315 IonicContact NH2-OE2 2.8Å; R308-E315 PolarHBondContact NH2-OE2 3.2Å; R308-E315 VanDerWaalsContact O-CB 3.28Å; R308-E315 WeakPolarHBondContact O-CB 3.2Å; L311-E315 HydrophobicContact CB-CG 4.1Å; S312-E315 WeakPolarHBondContact O-CB 3.48Å; S312-E315 PolarHBondContact O-N 3.42Å; S312-E315 WeakPolarHBondContact OG-CG 3.4Å; S312-E315 PolarHBondContact OG-N 3.46Å; F313-E315 PolarHBondContact O-N 3.29Å; E315-S318 PolarHBondContact O-OG 3.23Å; E315-D319 PolarHBondContact O-N 3.44Å
316L97.2Very high95.1Very high0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-62.9-46.6174.6177.666.8000111.8W309 S312 F313 D319 G322 F326 Y414 F417W309-L316 HydrophobicContact CB-CB 4.12Å; W309-L316 HydrophobicContact CB-CD1 3.83Å; W309-L316 HydrophobicContact CD2-CD1 3.8Å; W309-L316 HydrophobicContact CE3-CD1 3.84Å; W309-L316 HydrophobicContact CG-CD1 3.8Å; S312-L316 PolarHBondContact O-N 2.86Å; F313-L316 HydrophobicContact CD2-CD2 4.12Å; F313-L316 HydrophobicContact CE2-CD2 4.21Å; F313-L316 WeakPolarHBondContact O-CB 3.48Å; F313-L316 PolarHBondContact O-N 3Å; L316-D319 PolarHBondContact O-N 2.84Å; L316-G322 WeakPolarHBondContact CD1-O 3.4Å; L316-F326 HydrophobicContact CD1-CB 4.42Å; L316-F326 HydrophobicContact CD2-CB 3.98Å; L316-F326 HydrophobicContact CD2-CD1 4.17Å; L316-F326 HydrophobicContact CD2-CD2 3.99Å; L316-F326 HydrophobicContact CD2-CG 3.79Å; L316-F326 HydrophobicContact CG-CB 4.4Å; L316-Y414 HydrophobicContact CB-CE2 4.3Å; L316-Y414 HydrophobicContact CD2-CD2 3.61Å; L316-Y414 HydrophobicContact CD2-CE2 3.92Å; L316-F417 HydrophobicContact CD1-CE1 3.76Å; L316-F417 HydrophobicContact CD1-CZ 4.35Å; L316-F417 HydrophobicContact CD2-CD1 3.85Å; L316-F417 HydrophobicContact CD2-CE1 3.87Å
317L97Very high95.3Very high6 Ų638.4 Ų38.43%0.03120%0.201CC..Hα-helixtrans-73.2-25.7-177.9-68.9-175.7000113.2F313 D314 D319 R323 L339 W342 Y406F313-L317 HydrophobicContact CD1-CD1 3.98Å; F313-L317 HydrophobicContact CD2-CD1 4.4Å; F313-L317 HydrophobicContact CD2-CG 4.08Å; F313-L317 HydrophobicContact CE1-CD1 3.64Å; F313-L317 HydrophobicContact CE1-CG 4.29Å; F313-L317 HydrophobicContact CE2-CD1 4.08Å; F313-L317 HydrophobicContact CE2-CD2 3.86Å; F313-L317 HydrophobicContact CE2-CG 3.81Å; F313-L317 HydrophobicContact CG-CD1 4.36Å; F313-L317 HydrophobicContact CG-CG 4.43Å; F313-L317 HydrophobicContact CZ-CD1 3.69Å; F313-L317 HydrophobicContact CZ-CD2 3.96Å; F313-L317 HydrophobicContact CZ-CG 3.93Å; F313-L317 WeakPolarHBondContact O-CG 3.32Å; F313-L317 PolarHBondContact O-N 3.46Å; D314-L317 PolarHBondContact O-N 3.12Å; L317-D319 VanDerWaalsContact C-N 3.35Å; L317-R323 HydrophobicContact CD2-CG 4.27Å; L317-R323 WeakPolarHBondContact O-CD 3.28Å; L317-R323 WeakPolarHBondContact O-CG 3.1Å; L317-R323 PolarHBondContact O-NH1 3.01Å; L317-L339 HydrophobicContact CD2-CD1 3.65Å; L317-W342 HydrophobicContact CB-CH2 4.08Å; L317-W342 HydrophobicContact CB-CZ3 4.32Å; L317-W342 HydrophobicContact CD1-CD2 4.3Å; L317-W342 HydrophobicContact CD1-CE3 4.25Å; L317-W342 HydrophobicContact CD1-CH2 3.72Å; L317-W342 HydrophobicContact CD1-CZ2 3.76Å; L317-W342 HydrophobicContact CD1-CZ3 3.98Å; L317-W342 HydrophobicContact CD2-CZ3 4.46Å; L317-W342 HydrophobicContact CG-CH2 4.45Å; L317-Y406 HydrophobicContact CD1-CD2 3.98Å; L317-Y406 HydrophobicContact CD1-CE2 3.88Å
318S94.4Very high95.4Very high77 Ų7739.8 Ų39.854%0.53821%0.209SC..Hα-helixtrans-73.7-28.2175.8650000112.6D314 E315 R323D314-S318 VanDerWaalsContact O-CB 3.27Å; D314-S318 WeakPolarHBondContact O-CB 3.48Å; D314-S318 PolarHBondContact O-N 3.11Å; D314-S318 PolarHBondContact O-OG 3.44Å; D314-S318 VanDerWaalsContact O-OG 3.1Å; E315-S318 PolarHBondContact O-OG 3.23Å; S318-R323 PolarHBondContact O-NH1 3.24Å
319D93.1Very high95.5Very high22 Ų2235.6 Ų35.612%0.11819%0.194CC..SBendtrans-84.5121.4178.1-168.8-28.5000111.9R305 W309 E315 L316 L317 A321 G322 R323R305-D319 WeakPolarHBondContact CG-OD2 3.31Å; R305-D319 IonicContact CZ-OD1 3.99Å; R305-D319 IonicContact CZ-OD2 3.19Å; R305-D319 IonicContact NE-OD1 3.41Å; R305-D319 PolarHBondContact NE-OD1 3.13Å; R305-D319 IonicContact NE-OD2 2.94Å; R305-D319 PolarHBondContact NE-OD2 2.83Å; R305-D319 IonicContact NH2-OD1 3.55Å; R305-D319 PolarHBondContact NH2-OD1 3.41Å; R305-D319 IonicContact NH2-OD2 3.47Å; W309-D319 VanDerWaalsContact NE1-CG 3.34Å; W309-D319 PolarHBondContact NE1-OD2 3.43Å; E315-D319 PolarHBondContact O-N 3.44Å; L316-D319 PolarHBondContact O-N 2.84Å; L317-D319 VanDerWaalsContact C-N 3.35Å; D319-A321 PolarHBondContact O-N 2.96Å; D319-A321 PolarHBondContact OD1-N 3.36Å; D319-G322 WeakPolarHBondContact O-CA 3.47Å; D319-G322 PolarHBondContact O-N 3.26Å; D319-G322 VanDerWaalsContact O-N 3.14Å; D319-G322 PolarHBondContact OD1-N 2.81Å; D319-R323 PolarHBondContact O-N 3.41Å
320T92.6Very high95.5Very high76 Ų7635.5 Ų35.547%0.46619%0.193SC..Hα-helixtrans-57.3-44.6177.2-57.60000112.9G322 R323 E324T320-G322 VanDerWaalsContact C-N 3.29Å; T320-G322 PolarHBondContact O-N 3.24Å; T320-R323 PolarHBondContact O-N 3.01Å; T320-R323 PolarHBondContact OG1-NH2 3.46Å; T320-R323 VanDerWaalsContact OG1-NH2 3.11Å; T320-E324 WeakPolarHBondContact O-CG 3.47Å; T320-E324 PolarHBondContact O-N 3.23Å
321A92.1Very high95.5Very high15 Ų1538 Ų3812%0.12420%0.198CC..Hα-helixtrans-70.2-32.5178.700000111.2L301 W309 D319 E324 C325L301-A321 HydrophobicContact CD2-CB 3.69Å; W309-A321 HydrophobicContact CZ2-CB 4.27Å; D319-A321 PolarHBondContact O-N 2.96Å; D319-A321 PolarHBondContact OD1-N 3.36Å; A321-E324 PolarHBondContact O-N 2.91Å; A321-C325 WeakPolarHBondContact O-CB 3.25Å; A321-C325 PolarHBondContact O-N 2.87Å; A321-C325 PolarHBondContact O-SG 3.37Å
322G94.5Very high95.4Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-59.9-49.3171.600000112.2W309 L316 D319 T320 E324 C325 F326W309-G322 VanDerWaalsContact CZ2-N 3.3Å; L316-G322 WeakPolarHBondContact CD1-O 3.4Å; D319-G322 WeakPolarHBondContact O-CA 3.47Å; D319-G322 PolarHBondContact O-N 3.26Å; D319-G322 VanDerWaalsContact O-N 3.14Å; D319-G322 PolarHBondContact OD1-N 2.81Å; T320-G322 VanDerWaalsContact C-N 3.29Å; T320-G322 PolarHBondContact O-N 3.24Å; G322-E324 PolarHBondContact O-N 3.42Å; G322-C325 PolarHBondContact O-N 3.18Å; G322-F326 WeakPolarHBondContact O-CB 3.42Å; G322-F326 PolarHBondContact O-N 2.99Å
323R95.8Very high95.3Very high57 Ų5745 Ų4522%0.21522%0.224CC..Hα-helixtrans-59.2-44.1175.2-69.2-163.8-56.9-78.9-7.5112.4L317 S318 D319 T320 F326 M327 E343L317-R323 HydrophobicContact CD2-CG 4.27Å; L317-R323 WeakPolarHBondContact O-CD 3.28Å; L317-R323 WeakPolarHBondContact O-CG 3.1Å; L317-R323 PolarHBondContact O-NH1 3.01Å; S318-R323 PolarHBondContact O-NH1 3.24Å; D319-R323 PolarHBondContact O-N 3.41Å; T320-R323 PolarHBondContact O-N 3.01Å; T320-R323 PolarHBondContact OG1-NH2 3.46Å; T320-R323 VanDerWaalsContact OG1-NH2 3.11Å; R323-F326 PolarHBondContact O-N 3.28Å; R323-M327 WeakPolarHBondContact O-CB 3.39Å; R323-M327 PolarHBondContact O-N 2.92Å; R323-E343 WeakPolarHBondContact CD-OE1 3.41Å; R323-E343 IonicContact NE-OE1 2.74Å; R323-E343 PolarHBondContact NE-OE1 2.87Å
324E94.5Very high95Very high109 Ų10954.9 Ų54.951%0.50926%0.263SS..Hα-helixtrans-63.2-44.2177.8-72.4177.7-166.700112.7T320 A321 G322 M327 K328T320-E324 WeakPolarHBondContact O-CG 3.47Å; T320-E324 PolarHBondContact O-N 3.23Å; A321-E324 PolarHBondContact O-N 2.91Å; G322-E324 PolarHBondContact O-N 3.42Å; E324-M327 PolarHBondContact O-N 3.4Å; E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 2.83Å; E324-K328 VanDerWaalsContact O-N 3.1Å
325C94.3Very high94.9Very high12 Ų1251.9 Ų51.98%0.08125%0.248CC..Hα-helixtrans-63.3-42.2175.2-79.20000111.8W309 A321 G322 K328 F329 F417 L426W309-C325 HydrophobicContact CH2-CB 4.3Å; W309-C325 HydrophobicContact CZ3-CB 4.04Å; A321-C325 WeakPolarHBondContact O-CB 3.25Å; A321-C325 PolarHBondContact O-N 2.87Å; A321-C325 PolarHBondContact O-SG 3.37Å; G322-C325 PolarHBondContact O-N 3.18Å; C325-K328 PolarHBondContact O-N 3.46Å; C325-F329 PolarHBondContact O-N 2.94Å; C325-F329 VanDerWaalsContact O-N 3.17Å; C325-F417 HydrophobicContact CB-CZ 4.31Å; C325-L426 HydrophobicContact CB-CD1 4.29Å
326F97.2Very high95Very high0 Ų051 Ų510%025%0.245CC..Hα-helixtrans-67.6-39.9177.7-171.8-128.4000111.9F313 L316 G322 R323 K328 F329 L330 L339 M409 F417F313-F326 HydrophobicContact CE2-CD1 4.1Å; F313-F326 AromaticContact CE2-CE1 3.5Å; F313-F326 HydrophobicContact CE2-CE1 3.5Å; F313-F326 AromaticContact CE2-CZ 3.9Å; F313-F326 HydrophobicContact CE2-CZ 3.9Å; F313-F326 AromaticContact CZ-CE1 3.8Å; F313-F326 HydrophobicContact CZ-CE1 3.8Å; F313-F326 HydrophobicContact CZ-CZ 4.3Å; L316-F326 HydrophobicContact CD1-CB 4.42Å; L316-F326 HydrophobicContact CD2-CB 3.98Å; L316-F326 HydrophobicContact CD2-CD1 4.17Å; L316-F326 HydrophobicContact CD2-CD2 3.99Å; L316-F326 HydrophobicContact CD2-CG 3.79Å; L316-F326 HydrophobicContact CG-CB 4.4Å; G322-F326 WeakPolarHBondContact O-CB 3.42Å; G322-F326 PolarHBondContact O-N 2.99Å; R323-F326 PolarHBondContact O-N 3.28Å; F326-K328 PolarHBondContact O-N 2.92Å; F326-F329 HydrophobicContact CD2-CD1 4.3Å; F326-F329 HydrophobicContact CE2-CD1 4.19Å; F326-F329 WeakPolarHBondContact O-CB 3.4Å; F326-F329 PolarHBondContact O-N 3.3Å; F326-F329 VanDerWaalsContact O-N 3.1Å; F326-L330 HydrophobicContact CD1-CD1 3.98Å; F326-L330 HydrophobicContact CD1-CG 4.47Å; F326-L330 HydrophobicContact CD2-CG 4.49Å; F326-L330 HydrophobicContact CE1-CD1 3.69Å; F326-L330 HydrophobicContact CE1-CD2 4.4Å; F326-L330 HydrophobicContact CE1-CG 4.2Å; F326-L330 HydrophobicContact CE2-CD2 4.12Å; F326-L330 HydrophobicContact CE2-CG 4.23Å; F326-L330 HydrophobicContact CZ-CD1 4.03Å; F326-L330 HydrophobicContact CZ-CD2 3.89Å; F326-L330 HydrophobicContact CZ-CG 4.09Å; F326-L330 WeakPolarHBondContact O-CG 3.46Å; F326-L330 PolarHBondContact O-N 2.84Å; F326-L339 HydrophobicContact CD1-CD2 3.88Å; F326-M409 HydrophobicContact CE1-SD 4.26Å; F326-F417 HydrophobicContact CD2-CB 3.78Å; F326-F417 AromaticContact CD2-CD1 3.97Å; F326-F417 HydrophobicContact CD2-CD1 3.97Å; F326-F417 HydrophobicContact CD2-CD2 4Å; F326-F417 AromaticContact CD2-CG 3.64Å; F326-F417 HydrophobicContact CD2-CG 3.64Å; F326-F417 HydrophobicContact CE2-CB 3.75Å; F326-F417 HydrophobicContact CE2-CG 4.14Å
327M97.4Very high95Very high27 Ų2753 Ų5313%0.13325%0.254CS..Hα-helixtrans-57.5-48.2173.6-174.265.878.300111.3R323 E324 F329 L330 E331 L339 R340R323-M327 WeakPolarHBondContact O-CB 3.39Å; R323-M327 PolarHBondContact O-N 2.92Å; E324-M327 PolarHBondContact O-N 3.4Å; M327-F329 PolarHBondContact O-N 3.33Å; M327-L330 PolarHBondContact O-N 2.86Å; M327-L330 VanDerWaalsContact O-N 3.13Å; M327-E331 HydrophobicContact CG-CG 4.42Å; M327-E331 WeakPolarHBondContact O-CG 3.37Å; M327-E331 PolarHBondContact O-N 3.06Å; M327-L339 HydrophobicContact CB-CD2 3.97Å; M327-L339 HydrophobicContact CE-CB 3.93Å; M327-L339 HydrophobicContact CE-CD2 3.62Å; M327-L339 HydrophobicContact CE-CG 3.7Å; M327-L339 HydrophobicContact SD-CB 4.38Å; M327-L339 HydrophobicContact SD-CD2 4.11Å; M327-R340 HydrophobicContact CE-CG 3.48Å; M327-R340 VanDerWaalsContact CE-CG 3.48Å; M327-R340 HydrophobicContact SD-CG 4.14Å
328K95.3Very high95Very high115 Ų11553.3 Ų53.350%0.526%0.256SS..Hα-helixtrans-59.7-32.9176.4-71.7170.9-176167.40112.8E324 C325 F326 K332E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 2.83Å; E324-K328 VanDerWaalsContact O-N 3.1Å; C325-K328 PolarHBondContact O-N 3.46Å; F326-K328 PolarHBondContact O-N 2.92Å; K328-K332 WeakPolarHBondContact O-CG 3.44Å
329F96Very high95.1Very high20 Ų2049.6 Ų49.69%0.08823%0.23CC..Hα-helixtrans-69.6-47.8174.1173.3-94000111.3C325 F326 M327 E331 K332 E333 R416 F417C325-F329 PolarHBondContact O-N 2.94Å; C325-F329 VanDerWaalsContact O-N 3.17Å; F326-F329 HydrophobicContact CD2-CD1 4.3Å; F326-F329 HydrophobicContact CE2-CD1 4.19Å; F326-F329 WeakPolarHBondContact O-CB 3.4Å; F326-F329 PolarHBondContact O-N 3.3Å; F326-F329 VanDerWaalsContact O-N 3.1Å; M327-F329 PolarHBondContact O-N 3.33Å; F329-E331 VanDerWaalsContact C-N 3.34Å; F329-E331 PolarHBondContact O-N 3.34Å; F329-K332 WeakPolarHBondContact O-CB 3.49Å; F329-K332 PolarHBondContact O-N 3Å; F329-E333 HydrophobicContact CE1-CG 4.43Å; F329-E333 VanDerWaalsContact CE1-OE2 3.31Å; F329-E333 WeakPolarHBondContact CE1-OE2 3.32Å; F329-E333 VanDerWaalsContact CZ-CD 3.4Å; F329-E333 HydrophobicContact CZ-CG 4.31Å; F329-E333 VanDerWaalsContact CZ-OE1 3.24Å; F329-E333 WeakPolarHBondContact CZ-OE1 3Å; F329-E333 PolarHBondContact O-N 3.49Å; F329-R416 HydrophobicContact CE1-CB 4.31Å; F329-R416 HydrophobicContact CZ-CB 3.83Å; F329-F417 HydrophobicContact CB-CD2 3.74Å; F329-F417 HydrophobicContact CB-CE2 4.26Å; F329-F417 HydrophobicContact CD1-CB 3.86Å; F329-F417 HydrophobicContact CD1-CD2 4.16Å; F329-F417 HydrophobicContact CD1-CG 4.46Å; F329-F417 HydrophobicContact CD2-CD2 4.1Å; F329-F417 HydrophobicContact CE1-CB 3.93Å; F329-F417 HydrophobicContact CG-CB 4.22Å; F329-F417 AromaticContact CG-CD2 3.73Å; F329-F417 HydrophobicContact CG-CD2 3.73Å; F329-F417 HydrophobicContact CG-CG 4.45Å; F329-F417 HydrophobicContact CZ-CB 4.34Å
330L96.5Very high95.4Very high0 Ų052.6 Ų52.60%024%0.24CC..Hα-helixtrans-63.6-36.9178.7-66.5175.8000112.9F326 M327 K332 E333 Y334 S335 L339 M409 S413F326-L330 HydrophobicContact CD1-CD1 3.98Å; F326-L330 HydrophobicContact CD1-CG 4.47Å; F326-L330 HydrophobicContact CD2-CG 4.49Å; F326-L330 HydrophobicContact CE1-CD1 3.69Å; F326-L330 HydrophobicContact CE1-CD2 4.4Å; F326-L330 HydrophobicContact CE1-CG 4.2Å; F326-L330 HydrophobicContact CE2-CD2 4.12Å; F326-L330 HydrophobicContact CE2-CG 4.23Å; F326-L330 HydrophobicContact CZ-CD1 4.03Å; F326-L330 HydrophobicContact CZ-CD2 3.89Å; F326-L330 HydrophobicContact CZ-CG 4.09Å; F326-L330 WeakPolarHBondContact O-CG 3.46Å; F326-L330 PolarHBondContact O-N 2.84Å; M327-L330 PolarHBondContact O-N 2.86Å; M327-L330 VanDerWaalsContact O-N 3.13Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.25Å; L330-E333 CarbonylContact O-C 3.46Å; L330-E333 WeakPolarHBondContact O-CA 3.19Å; L330-E333 PolarHBondContact O-N 3.25Å; L330-E333 VanDerWaalsContact O-N 3.07Å; L330-Y334 PolarHBondContact O-N 3.13Å; L330-S335 WeakPolarHBondContact CD2-OG 3.47Å; L330-S335 PolarHBondContact O-N 3.26Å; L330-S335 PolarHBondContact O-OG 3.24Å; L330-L339 HydrophobicContact CD1-CB 3.58Å; L330-L339 HydrophobicContact CD1-CD2 4.03Å; L330-L339 HydrophobicContact CD1-CG 4.44Å; L330-M409 HydrophobicContact CD1-SD 4.35Å; L330-S413 VanDerWaalsContact CD2-CB 3.43Å
331E95.4Very high95.6Very high93 Ų9349 Ų4944%0.43522%0.217SC..Hα-helixtrans-62.7-35.7176.6-75.5177.1164.900112.2M327 F329 E333 Y334 R340M327-E331 HydrophobicContact CG-CG 4.42Å; M327-E331 WeakPolarHBondContact O-CG 3.37Å; M327-E331 PolarHBondContact O-N 3.06Å; F329-E331 VanDerWaalsContact C-N 3.34Å; F329-E331 PolarHBondContact O-N 3.34Å; E331-E333 VanDerWaalsContact C-N 3.27Å; E331-E333 PolarHBondContact O-N 3.36Å; E331-Y334 PolarHBondContact O-N 3.5Å; E331-R340 IonicContact OE1-CZ 3.97Å; E331-R340 IonicContact OE1-NH2 2.81Å; E331-R340 PolarHBondContact OE1-NH2 3.16Å
332K93.7Very high95.9Very high153 Ų15350 Ų5067%0.66522%0.218SC*.Hα-helixtrans-67.8-29173.2-70.4176.4-179.8-179.50112.7K328 F329 L330K328-K332 WeakPolarHBondContact O-CG 3.44Å; F329-K332 WeakPolarHBondContact O-CB 3.49Å; F329-K332 PolarHBondContact O-N 3Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.25Å
333E93.1Very high96Very high63 Ų6353.2 Ų53.229%0.29423%0.233SC..THydrogen-bonded Turntrans-94.48.8177.1-61.7-167.3146.600112.8F329 L330 E331 S335 R416F329-E333 HydrophobicContact CE1-CG 4.43Å; F329-E333 VanDerWaalsContact CE1-OE2 3.31Å; F329-E333 WeakPolarHBondContact CE1-OE2 3.32Å; F329-E333 VanDerWaalsContact CZ-CD 3.4Å; F329-E333 HydrophobicContact CZ-CG 4.31Å; F329-E333 VanDerWaalsContact CZ-OE1 3.24Å; F329-E333 WeakPolarHBondContact CZ-OE1 3Å; F329-E333 PolarHBondContact O-N 3.49Å; L330-E333 CarbonylContact O-C 3.46Å; L330-E333 WeakPolarHBondContact O-CA 3.19Å; L330-E333 PolarHBondContact O-N 3.25Å; L330-E333 VanDerWaalsContact O-N 3.07Å; E331-E333 VanDerWaalsContact C-N 3.27Å; E331-E333 PolarHBondContact O-N 3.36Å; E333-S335 VanDerWaalsContact C-N 3.25Å; E333-S335 PolarHBondContact O-N 3.32Å; E333-R416 IonicContact OE1-CZ 3.64Å; E333-R416 IonicContact OE1-NH1 3.58Å; E333-R416 PolarHBondContact OE1-NH1 3.03Å; E333-R416 IonicContact OE2-CZ 2.7Å; E333-R416 VanDerWaalsContact OE2-CZ 3.3Å; E333-R416 IonicContact OE2-NH1 3.56Å; E333-R416 PolarHBondContact OE2-NH1 2.91Å; E333-R416 IonicContact OE2-NH2 3.45Å
334Y92.1Very high96.1Very high209 Ų20951.6 Ų51.682%0.8223%0.232SC*.THydrogen-bonded Turntrans51.541.4-177.5-55-87.9000113.4L330 E331L330-Y334 PolarHBondContact O-N 3.13Å; E331-Y334 PolarHBondContact O-N 3.5Å
335S95.2Very high96.3Very high15 Ų1546.4 Ų46.411%0.10521%0.208CC..  trans-132.118-177.758.30000114L330 E333 E337 N338L330-S335 WeakPolarHBondContact CD2-OG 3.47Å; L330-S335 PolarHBondContact O-N 3.26Å; L330-S335 PolarHBondContact O-OG 3.24Å; E333-S335 VanDerWaalsContact C-N 3.25Å; E333-S335 PolarHBondContact O-N 3.32Å; S335-E337 VanDerWaalsContact C-N 3.27Å; S335-E337 WeakPolarHBondContact CA-OE1 3.49Å; S335-E337 VanDerWaalsContact CA-OE2 3.23Å; S335-E337 WeakPolarHBondContact CA-OE2 3.37Å; S335-E337 PolarHBondContact O-N 3.06Å; S335-N338 PolarHBondContact O-N 2.85Å; S335-N338 PolarHBondContact O-ND2 2.84Å
336G96.9Very high96.3Very high2 Ų247.4 Ų47.42%0.02121%0.211CC..Hα-helixtrans-67.5-22.7-176.500000114.4N338 L339 R340G336-N338 PolarHBondContact O-N 2.99Å; G336-L339 PolarHBondContact O-N 3.29Å; G336-R340 WeakPolarHBondContact O-CG 3.36Å; G336-R340 PolarHBondContact O-N 3.45Å
337E97.4Very high96.3Very high43 Ų4350.2 Ų50.220%0.20123%0.231CC..Hα-helixtrans-56.8-33.9176.169.5-66.1154.900112.9S335 L339 R340 F341 V376S335-E337 VanDerWaalsContact C-N 3.27Å; S335-E337 WeakPolarHBondContact CA-OE1 3.49Å; S335-E337 VanDerWaalsContact CA-OE2 3.23Å; S335-E337 WeakPolarHBondContact CA-OE2 3.37Å; S335-E337 PolarHBondContact O-N 3.06Å; E337-L339 PolarHBondContact O-N 3.4Å; E337-R340 PolarHBondContact O-N 3.17Å; E337-F341 WeakPolarHBondContact O-CB 3.3Å; E337-F341 PolarHBondContact O-N 3.5Å; E337-V376 HydrophobicContact CB-CG1 4.37Å; E337-V376 HydrophobicContact CG-CG1 4.05Å
338N97.3Very high96.3Very high11 Ų1149 Ų496%0.05923%0.225CC..Hα-helixtrans-62.5-44.8179.4-63.3-56.1000112.3S335 G336 W342 I405 M409S335-N338 PolarHBondContact O-N 2.85Å; S335-N338 PolarHBondContact O-ND2 2.84Å; G336-N338 PolarHBondContact O-N 2.99Å; N338-W342 PolarHBondContact O-N 3.16Å; N338-W342 VanDerWaalsContact O-N 3.11Å; N338-I405 HydrophobicContact CB-CG2 3.73Å; N338-I405 WeakPolarHBondContact O-CG2 3.17Å; N338-M409 HydrophobicContact CB-CG 3.86Å; N338-M409 HydrophobicContact CB-SD 3.72Å
339L97.8Very high96.3Very high0 Ų046 Ų460%021%0.21CC..Hα-helixtrans-70.7-42178.7-17958.9000111.1L317 F326 M327 L330 G336 E337 F341 W342 E343 M409L317-L339 HydrophobicContact CD2-CD1 3.65Å; F326-L339 HydrophobicContact CD1-CD2 3.88Å; M327-L339 HydrophobicContact CB-CD2 3.97Å; M327-L339 HydrophobicContact CE-CB 3.93Å; M327-L339 HydrophobicContact CE-CD2 3.62Å; M327-L339 HydrophobicContact CE-CG 3.7Å; M327-L339 HydrophobicContact SD-CB 4.38Å; M327-L339 HydrophobicContact SD-CD2 4.11Å; L330-L339 HydrophobicContact CD1-CB 3.58Å; L330-L339 HydrophobicContact CD1-CD2 4.03Å; L330-L339 HydrophobicContact CD1-CG 4.44Å; G336-L339 PolarHBondContact O-N 3.29Å; E337-L339 PolarHBondContact O-N 3.4Å; L339-F341 PolarHBondContact O-N 2.96Å; L339-W342 HydrophobicContact CD1-CE3 4.43Å; L339-W342 PolarHBondContact O-N 2.93Å; L339-E343 HydrophobicContact CD1-CG 4.22Å; L339-E343 HydrophobicContact CG-CG 4.45Å; L339-E343 WeakPolarHBondContact O-CB 3.29Å; L339-E343 WeakPolarHBondContact O-CG 3.41Å; L339-E343 PolarHBondContact O-N 2.86Å; L339-M409 HydrophobicContact CB-SD 3.98Å
340R97.9Very high96.2Very high84 Ų8453.3 Ų53.332%0.31724%0.243SC..Hα-helixtrans-62.4-41.7178-63.4-175.4-161.9116.52.6112M327 E331 G336 E337 E343 A344 Y367M327-R340 HydrophobicContact CE-CG 3.48Å; M327-R340 VanDerWaalsContact CE-CG 3.48Å; M327-R340 HydrophobicContact SD-CG 4.14Å; E331-R340 IonicContact OE1-CZ 3.97Å; E331-R340 IonicContact OE1-NH2 2.81Å; E331-R340 PolarHBondContact OE1-NH2 3.16Å; G336-R340 WeakPolarHBondContact O-CG 3.36Å; G336-R340 PolarHBondContact O-N 3.45Å; E337-R340 PolarHBondContact O-N 3.17Å; R340-E343 PolarHBondContact O-N 3.32Å; R340-A344 WeakPolarHBondContact O-CB 3.41Å; R340-A344 PolarHBondContact O-N 3.11Å; R340-Y367 HydrophobicContact CB-CE1 4.03Å; R340-Y367 WeakPolarHBondContact CB-OH 3.08Å
341F98.2Very high96.1Very high0 Ų054.1 Ų54.10%025%0.248CC..Hα-helixtrans-60-49.9173.5171.6-107.9000111.3E337 L339 E343 A344 V345 I363 Y367 L368 V376 F398 A401 A402 I405E337-F341 WeakPolarHBondContact O-CB 3.3Å; E337-F341 PolarHBondContact O-N 3.5Å; L339-F341 PolarHBondContact O-N 2.96Å; F341-E343 PolarHBondContact O-N 3.38Å; F341-A344 WeakPolarHBondContact O-CB 3.27Å; F341-A344 PolarHBondContact O-N 3.46Å; F341-V345 HydrophobicContact CD2-CG2 4.35Å; F341-V345 HydrophobicContact CE1-CG2 4.33Å; F341-V345 HydrophobicContact CE2-CG2 3.89Å; F341-V345 HydrophobicContact CZ-CG2 3.88Å; F341-V345 WeakPolarHBondContact O-CG2 3.48Å; F341-V345 PolarHBondContact O-N 3Å; F341-I363 HydrophobicContact CD2-CG2 4.1Å; F341-I363 HydrophobicContact CE2-CG2 3.79Å; F341-Y367 HydrophobicContact CB-CD1 3.74Å; F341-Y367 HydrophobicContact CB-CD2 4.36Å; F341-Y367 HydrophobicContact CB-CE1 4.04Å; F341-Y367 HydrophobicContact CB-CG 3.93Å; F341-Y367 HydrophobicContact CD2-CD1 4.37Å; F341-Y367 AromaticContact CD2-CD2 3.84Å; F341-Y367 HydrophobicContact CD2-CD2 3.84Å; F341-Y367 AromaticContact CD2-CG 3.68Å; F341-Y367 HydrophobicContact CD2-CG 3.68Å; F341-Y367 HydrophobicContact CG-CG 4.25Å; F341-L368 HydrophobicContact CE2-CD1 4.08Å; F341-L368 HydrophobicContact CE2-CG 4.28Å; F341-L368 HydrophobicContact CZ-CD1 4.3Å; F341-V376 HydrophobicContact CB-CG1 3.66Å; F341-V376 HydrophobicContact CD1-CG1 4.41Å; F341-V376 HydrophobicContact CD1-CG2 4.29Å; F341-V376 HydrophobicContact CD2-CG2 4.37Å; F341-V376 HydrophobicContact CG-CG1 4.04Å; F341-V376 HydrophobicContact CG-CG2 4.19Å; F341-F398 HydrophobicContact CZ-CB 4.43Å; F341-A401 HydrophobicContact CE1-CB 4.12Å; F341-A401 HydrophobicContact CZ-CB 3.77Å; F341-A402 HydrophobicContact CE1-CB 4.4Å; F341-I405 HydrophobicContact CD1-CB 4.09Å; F341-I405 HydrophobicContact CD1-CG1 3.81Å; F341-I405 HydrophobicContact CD1-CG2 4.17Å; F341-I405 HydrophobicContact CE1-CB 4.31Å; F341-I405 HydrophobicContact CE1-CG1 3.87Å
342W97.4Very high96.1Very high38 Ų3853.1 Ų53.114%0.14425%0.251CS..Hα-helixtrans-59.5-45.3179.2-17790.3000112L317 N338 L339 A344 V345 Q346 Y406 M409L317-W342 HydrophobicContact CB-CH2 4.08Å; L317-W342 HydrophobicContact CB-CZ3 4.32Å; L317-W342 HydrophobicContact CD1-CD2 4.3Å; L317-W342 HydrophobicContact CD1-CE3 4.25Å; L317-W342 HydrophobicContact CD1-CH2 3.72Å; L317-W342 HydrophobicContact CD1-CZ2 3.76Å; L317-W342 HydrophobicContact CD1-CZ3 3.98Å; L317-W342 HydrophobicContact CD2-CZ3 4.46Å; L317-W342 HydrophobicContact CG-CH2 4.45Å; N338-W342 PolarHBondContact O-N 3.16Å; N338-W342 VanDerWaalsContact O-N 3.11Å; L339-W342 HydrophobicContact CD1-CE3 4.43Å; L339-W342 PolarHBondContact O-N 2.93Å; W342-A344 VanDerWaalsContact C-N 3.34Å; W342-A344 PolarHBondContact O-N 3.05Å; W342-V345 PolarHBondContact O-N 2.98Å; W342-Q346 HydrophobicContact CD2-CG 3.94Å; W342-Q346 VanDerWaalsContact CE2-NE2 3.33Å; W342-Q346 HydrophobicContact CE3-CG 3.83Å; W342-Q346 HydrophobicContact CH2-CG 3.56Å; W342-Q346 HydrophobicContact CZ2-CG 3.67Å; W342-Q346 HydrophobicContact CZ3-CG 3.65Å; W342-Q346 WeakPolarHBondContact O-CG 3.46Å; W342-Q346 PolarHBondContact O-N 3.46Å; W342-Y406 HydrophobicContact CZ2-CD2 4.42Å; W342-Y406 AromaticContact NE1-CD2 3.61Å; W342-M409 HydrophobicContact CB-CE 3.92Å; W342-M409 HydrophobicContact CG-CE 4.21Å
343E97.2Very high96.2Very high66 Ų6650.6 Ų50.631%0.30825%0.252SS..Hα-helixtrans-62.4-38.7176.1-73.5-174.8138.200112.2R323 L339 R340 F341 Q346 S347R323-E343 WeakPolarHBondContact CD-OE1 3.41Å; R323-E343 IonicContact NE-OE1 2.74Å; R323-E343 PolarHBondContact NE-OE1 2.87Å; L339-E343 HydrophobicContact CD1-CG 4.22Å; L339-E343 HydrophobicContact CG-CG 4.45Å; L339-E343 WeakPolarHBondContact O-CB 3.29Å; L339-E343 WeakPolarHBondContact O-CG 3.41Å; L339-E343 PolarHBondContact O-N 2.86Å; R340-E343 PolarHBondContact O-N 3.32Å; F341-E343 PolarHBondContact O-N 3.38Å; E343-Q346 PolarHBondContact O-N 3.41Å; E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.25Å
344A97.5Very high96.3Very high23 Ų2358.3 Ų58.319%0.1928%0.278CS..Hα-helixtrans-64.1-40.6176.400000111.7R340 F341 W342 S347 L348 I363 Y367R340-A344 WeakPolarHBondContact O-CB 3.41Å; R340-A344 PolarHBondContact O-N 3.11Å; F341-A344 WeakPolarHBondContact O-CB 3.27Å; F341-A344 PolarHBondContact O-N 3.46Å; W342-A344 VanDerWaalsContact C-N 3.34Å; W342-A344 PolarHBondContact O-N 3.05Å; A344-S347 WeakPolarHBondContact O-CB 3.3Å; A344-S347 PolarHBondContact O-N 3.3Å; A344-L348 PolarHBondContact O-N 2.74Å; A344-I363 HydrophobicContact CB-CD1 4.17Å; A344-I363 HydrophobicContact CB-CG1 3.89Å; A344-I363 WeakPolarHBondContact O-CD1 3.29Å; A344-Y367 HydrophobicContact CB-CE2 4.17Å
345V97.6Very high96.5Very high1 Ų152.6 Ų52.61%0.00626%0.26CS..Hα-helixtrans-67.2-41.1174.2178.80000111.5F341 W342 S347 L348 R349 I363 F398 A402F341-V345 HydrophobicContact CD2-CG2 4.35Å; F341-V345 HydrophobicContact CE1-CG2 4.33Å; F341-V345 HydrophobicContact CE2-CG2 3.89Å; F341-V345 HydrophobicContact CZ-CG2 3.88Å; F341-V345 WeakPolarHBondContact O-CG2 3.48Å; F341-V345 PolarHBondContact O-N 3Å; W342-V345 PolarHBondContact O-N 2.98Å; V345-S347 VanDerWaalsContact C-N 3.31Å; V345-S347 PolarHBondContact O-N 2.87Å; V345-L348 WeakPolarHBondContact O-CB 3.28Å; V345-L348 PolarHBondContact O-N 2.82Å; V345-R349 WeakPolarHBondContact O-CG 3.46Å; V345-R349 PolarHBondContact O-N 2.83Å; V345-I363 HydrophobicContact CG2-CG2 4.32Å; V345-F398 HydrophobicContact CG1-CB 4.06Å; V345-F398 HydrophobicContact CG2-CB 3.66Å; V345-F398 HydrophobicContact CG2-CD2 4.36Å; V345-F398 HydrophobicContact CG2-CG 4.2Å; V345-A402 HydrophobicContact CB-CB 4.03Å; V345-A402 HydrophobicContact CG1-CB 3.74Å; V345-A402 HydrophobicContact CG2-CB 4.18Å
346Q96.2Very high96.6Very high33 Ų3352.6 Ų52.615%0.15426%0.259CS..Hα-helixtrans-60.7-43.6172.3-62-41.2-45.200111.3W342 E343 L348 R349 F350W342-Q346 HydrophobicContact CD2-CG 3.94Å; W342-Q346 VanDerWaalsContact CE2-NE2 3.33Å; W342-Q346 HydrophobicContact CE3-CG 3.83Å; W342-Q346 HydrophobicContact CH2-CG 3.56Å; W342-Q346 HydrophobicContact CZ2-CG 3.67Å; W342-Q346 HydrophobicContact CZ3-CG 3.65Å; W342-Q346 WeakPolarHBondContact O-CG 3.46Å; W342-Q346 PolarHBondContact O-N 3.46Å; E343-Q346 PolarHBondContact O-N 3.41Å; Q346-L348 VanDerWaalsContact C-N 3.3Å; Q346-L348 PolarHBondContact O-N 3.37Å; Q346-R349 VanDerWaalsContact NE2-NH1 3.16Å; Q346-R349 WeakPolarHBondContact O-CB 3.42Å; Q346-R349 PolarHBondContact O-N 3.13Å; Q346-R349 VanDerWaalsContact O-N 3.1Å; Q346-F350 WeakPolarHBondContact O-CD2 3.41Å; Q346-F350 PolarHBondContact O-N 2.97Å
347S96.3Very high96.5Very high59 Ų5955.9 Ų55.941%0.41328%0.281SS..Hα-helixtrans-59.3-40.6176-169.10000111.7E343 A344 V345 F350 S351 K359E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.25Å; A344-S347 WeakPolarHBondContact O-CB 3.3Å; A344-S347 PolarHBondContact O-N 3.3Å; V345-S347 VanDerWaalsContact C-N 3.31Å; V345-S347 PolarHBondContact O-N 2.87Å; S347-F350 PolarHBondContact O-N 3.18Å; S347-S351 PolarHBondContact O-N 3Å; S347-S351 PolarHBondContact O-OG 3.39Å; S347-K359 PolarHBondContact OG-NZ 3.01Å
348L97.5Very high96.5Very high0 Ų058.1 Ų58.10%030%0.297CS..Hα-helixtrans-60-47.5172.7174.568.1000111.4A344 V345 Q346 F350 S351 V356 K359 V360 I363 R395 F398A344-L348 PolarHBondContact O-N 2.74Å; V345-L348 WeakPolarHBondContact O-CB 3.28Å; V345-L348 PolarHBondContact O-N 2.82Å; Q346-L348 VanDerWaalsContact C-N 3.3Å; Q346-L348 PolarHBondContact O-N 3.37Å; L348-F350 VanDerWaalsContact C-N 3.26Å; L348-F350 PolarHBondContact O-N 2.85Å; L348-S351 WeakPolarHBondContact O-CB 3.41Å; L348-S351 PolarHBondContact O-N 3.21Å; L348-S351 VanDerWaalsContact O-N 3.1Å; L348-V356 HydrophobicContact CD1-CB 4.32Å; L348-V356 HydrophobicContact CD1-CG1 4.15Å; L348-V356 HydrophobicContact CD1-CG2 4.28Å; L348-K359 HydrophobicContact CD1-CB 3.67Å; L348-V360 HydrophobicContact CD1-CG2 3.95Å; L348-V360 HydrophobicContact CD2-CG2 3.83Å; L348-I363 HydrophobicContact CB-CD1 3.86Å; L348-I363 HydrophobicContact CD2-CD1 4.1Å; L348-I363 HydrophobicContact CG-CD1 4.48Å; L348-R395 PolarHBondContact O-NH1 3.26Å; L348-F398 HydrophobicContact CD2-CD2 3.7Å; L348-F398 HydrophobicContact CD2-CE2 3.97Å
349R95.5Very high96.5Very high53 Ų5360.4 Ų60.420%0.231%0.306CS..Hα-helixtrans-57.4-33.8-179.4-73174.8177.4173.3-1.2113.5V345 Q346 R395 W396 D399V345-R349 WeakPolarHBondContact O-CG 3.46Å; V345-R349 PolarHBondContact O-N 2.83Å; Q346-R349 VanDerWaalsContact NE2-NH1 3.16Å; Q346-R349 WeakPolarHBondContact O-CB 3.42Å; Q346-R349 PolarHBondContact O-N 3.13Å; Q346-R349 VanDerWaalsContact O-N 3.1Å; R349-R395 VanDerWaalsContact C-NH1 3.32Å; R349-R395 VanDerWaalsContact O-CD 3.24Å; R349-R395 WeakPolarHBondContact O-CD 3.21Å; R349-R395 PolarHBondContact O-NH1 2.98Å; R349-W396 HydrophobicContact CB-CZ3 4.45Å; R349-W396 HydrophobicContact CG-CE3 4.12Å; R349-W396 HydrophobicContact CG-CZ3 3.84Å; R349-D399 IonicContact CZ-OD1 3.81Å; R349-D399 VanDerWaalsContact CZ-OD1 3.23Å; R349-D399 IonicContact NE-OD1 2.71Å; R349-D399 PolarHBondContact NE-OD1 3.18Å; R349-D399 IonicContact NH2-OD1 3.39Å; R349-D399 PolarHBondContact NH2-OD1 2.68Å; R349-D399 IonicContact NH2-OD2 3.16Å
350F93.5Very high96.4Very high174 Ų17460.7 Ų60.776%0.76331%0.308SS*.THydrogen-bonded Turntrans-101.27.7178.9-58.6-73.4000114.6Q346 S347 L348Q346-F350 WeakPolarHBondContact O-CD2 3.41Å; Q346-F350 PolarHBondContact O-N 2.97Å; S347-F350 PolarHBondContact O-N 3.18Å; L348-F350 VanDerWaalsContact C-N 3.26Å; L348-F350 PolarHBondContact O-N 2.85Å
351S94.2Very high96.3Very high17 Ų1760.6 Ų60.612%0.11932%0.317CS..SBendtrans-76.5158.6-178.9-70.90000114.2S347 L348 K359 R395S347-S351 PolarHBondContact O-N 3Å; S347-S351 PolarHBondContact O-OG 3.39Å; L348-S351 WeakPolarHBondContact O-CB 3.41Å; L348-S351 PolarHBondContact O-N 3.21Å; L348-S351 VanDerWaalsContact O-N 3.1Å; S351-K359 VanDerWaalsContact OG-CD 3.28Å; S351-K359 WeakPolarHBondContact OG-CD 3.46Å; S351-K359 WeakPolarHBondContact OG-CE 3.31Å; S351-K359 PolarHBondContact OG-NZ 3.36Å; S351-R395 VanDerWaalsContact O-CZ 3.24Å; S351-R395 PolarHBondContact O-NH1 3.43Å; S351-R395 PolarHBondContact O-NH2 3.1Å
352S95.3Very high96.2Very high71 Ų7163.2 Ų63.250%0.49734%0.336SS..  trans-60.1146.2167.9108.20000110.7R354 M355 V356S352-R354 PolarHBondContact O-N 3.32Å; S352-R354 VanDerWaalsContact O-N 3.09Å; S352-R354 PolarHBondContact OG-N 2.96Å; S352-M355 PolarHBondContact O-N 2.88Å; S352-V356 PolarHBondContact O-N 3.44Å
353C95.4Very high96.3Very high101 Ų10161.7 Ų61.768%0.68233%0.33SS*.THydrogen-bonded Turntrans-56.5-28.8-178.7-64.40000113.2M355 V356C353-M355 VanDerWaalsContact C-N 3.33Å; C353-M355 PolarHBondContact O-N 3.16Å; C353-V356 PolarHBondContact O-N 2.93Å
354R96Very high96.2Very high225 Ų22562.1 Ų62.185%0.84933%0.329SS*.THydrogen-bonded Turntrans-70.8-27.5178.6-65.9-176.5177.5179.8-0.9113.2S352S352-R354 PolarHBondContact O-N 3.32Å; S352-R354 VanDerWaalsContact O-N 3.09Å; S352-R354 PolarHBondContact OG-N 2.96Å
355M95.9Very high96.1Very high88 Ų8865.2 Ų65.243%0.43334%0.343SS..THydrogen-bonded Turntrans-87.5-12.7179.8-66.3-55.2-60.600113.1S352 C353 V358 K359S352-M355 PolarHBondContact O-N 2.88Å; C353-M355 VanDerWaalsContact C-N 3.33Å; C353-M355 PolarHBondContact O-N 3.16Å; M355-V358 HydrophobicContact CE-CB 4.35Å; M355-V358 HydrophobicContact CE-CG1 4.38Å; M355-V358 PolarHBondContact O-N 3.48Å; M355-K359 PolarHBondContact O-N 3.25Å
356V96.8Very high96.1Very high15 Ų1568.2 Ų68.29%0.09136%0.359CS..Hα-helixtrans-55.4-50.1-177.6168.70000111.7L348 S352 C353 V358 K359 V360L348-V356 HydrophobicContact CD1-CB 4.32Å; L348-V356 HydrophobicContact CD1-CG1 4.15Å; L348-V356 HydrophobicContact CD1-CG2 4.28Å; S352-V356 PolarHBondContact O-N 3.44Å; C353-V356 PolarHBondContact O-N 2.93Å; V356-V358 PolarHBondContact O-N 2.65Å; V356-K359 PolarHBondContact O-N 2.93Å; V356-V360 HydrophobicContact CG1-CG2 4.2Å; V356-V360 WeakPolarHBondContact O-CB 3.48Å; V356-V360 VanDerWaalsContact O-CG2 3.26Å; V356-V360 WeakPolarHBondContact O-CG2 3.28Å; V356-V360 PolarHBondContact O-N 3.17Å
357P95.9Very high96.2Very high72 Ų7268 Ų6847%0.46836%0.357SS..Hα-helixtrans-60.4-45.1-179.7-23.735000112.7K359 V360 T361P357-K359 PolarHBondContact O-N 2.69Å; P357-V360 PolarHBondContact O-N 3.2Å; P357-T361 PolarHBondContact O-N 3.19Å; P357-T361 PolarHBondContact O-OG1 2.94Å
358V96.5Very high96.1Very high90 Ų9066.2 Ų66.255%0.54534%0.342SS..Hα-helixtrans-61.5-46.3-179.8-178.80000111M355 V356 T361 S362M355-V358 HydrophobicContact CE-CB 4.35Å; M355-V358 HydrophobicContact CE-CG1 4.38Å; M355-V358 PolarHBondContact O-N 3.48Å; V356-V358 PolarHBondContact O-N 2.65Å; V358-T361 PolarHBondContact O-N 3.26Å; V358-S362 PolarHBondContact O-N 3.45Å
359K97.3Very high95.9Very high58 Ų5866.7 Ų66.725%0.25235%0.348SS..Hα-helixtrans-68.4-37.4178.9-76.9-167.3173.6-172.90112.3S347 L348 S351 M355 V356 P357 T361 S362 I363S347-K359 PolarHBondContact OG-NZ 3.01Å; L348-K359 HydrophobicContact CD1-CB 3.67Å; S351-K359 VanDerWaalsContact OG-CD 3.28Å; S351-K359 WeakPolarHBondContact OG-CD 3.46Å; S351-K359 WeakPolarHBondContact OG-CE 3.31Å; S351-K359 PolarHBondContact OG-NZ 3.36Å; M355-K359 PolarHBondContact O-N 3.25Å; V356-K359 PolarHBondContact O-N 2.93Å; P357-K359 PolarHBondContact O-N 2.69Å; K359-T361 VanDerWaalsContact C-N 3.35Å; K359-S362 PolarHBondContact O-N 3.13Å; K359-I363 WeakPolarHBondContact O-CB 3.36Å; K359-I363 WeakPolarHBondContact O-CD1 3.29Å; K359-I363 WeakPolarHBondContact O-CG1 3.5Å; K359-I363 PolarHBondContact O-N 2.86Å
360V97.3Very high95.6Very high7 Ų769.6 Ų69.64%0.04238%0.383CS..Hα-helixtrans-60.6-47.6176.1169.70000110.7L348 V356 P357 S362 I363 Y364 L390 F398L348-V360 HydrophobicContact CD1-CG2 3.95Å; L348-V360 HydrophobicContact CD2-CG2 3.83Å; V356-V360 HydrophobicContact CG1-CG2 4.2Å; V356-V360 WeakPolarHBondContact O-CB 3.48Å; V356-V360 VanDerWaalsContact O-CG2 3.26Å; V356-V360 WeakPolarHBondContact O-CG2 3.28Å; V356-V360 PolarHBondContact O-N 3.17Å; P357-V360 PolarHBondContact O-N 3.2Å; V360-S362 PolarHBondContact O-N 2.7Å; V360-I363 PolarHBondContact O-N 3.25Å; V360-Y364 WeakPolarHBondContact O-CB 3.46Å; V360-Y364 PolarHBondContact O-N 3.46Å; V360-L390 HydrophobicContact CG1-CD2 3.42Å; V360-L390 VanDerWaalsContact CG1-CD2 3.42Å; V360-F398 HydrophobicContact CB-CE2 4.21Å; V360-F398 HydrophobicContact CG1-CE2 3.95Å; V360-F398 HydrophobicContact CG1-CZ 3.92Å; V360-F398 HydrophobicContact CG2-CE2 4.1Å; V360-F398 WeakPolarHBondContact O-CZ 3.38Å
361T95.7Very high95.5Very high81 Ų8167 Ų6750%0.49739%0.386SS..Hα-helixtrans-62-44.3177.1-56.20000112.1P357 V358 K359 Y364 N365P357-T361 PolarHBondContact O-N 3.19Å; P357-T361 PolarHBondContact O-OG1 2.94Å; V358-T361 PolarHBondContact O-N 3.26Å; K359-T361 VanDerWaalsContact C-N 3.35Å; T361-Y364 PolarHBondContact O-N 3.45Å; T361-N365 WeakPolarHBondContact O-CB 3.31Å; T361-N365 VanDerWaalsContact O-CG 3.25Å; T361-N365 PolarHBondContact O-N 3.24Å; T361-N365 PolarHBondContact O-ND2 2.95Å
362S96.3Very high95.5Very high56 Ų5667 Ų6739%0.39239%0.388SS..Hα-helixtrans-59.9-52.3176.7-165.10000111.4V358 K359 V360 Y364 N365 D366V358-S362 PolarHBondContact O-N 3.45Å; K359-S362 PolarHBondContact O-N 3.13Å; V360-S362 PolarHBondContact O-N 2.7Å; S362-Y364 VanDerWaalsContact C-N 3.3Å; S362-Y364 PolarHBondContact O-N 3.48Å; S362-N365 PolarHBondContact O-N 2.72Å; S362-N365 VanDerWaalsContact O-N 3.15Å; S362-D366 WeakPolarHBondContact O-CB 3.42Å; S362-D366 PolarHBondContact O-N 2.75Å; S362-D366 PolarHBondContact OG-OD2 3.45Å
363I97.5Very high95.3Very high6 Ų667.8 Ų67.83%0.03140%0.398CS..Hα-helixtrans-58.9-43.2-177.9-68.7165.7000111.1F341 A344 V345 L348 K359 V360 Y367 F398F341-I363 HydrophobicContact CD2-CG2 4.1Å; F341-I363 HydrophobicContact CE2-CG2 3.79Å; A344-I363 HydrophobicContact CB-CD1 4.17Å; A344-I363 HydrophobicContact CB-CG1 3.89Å; A344-I363 WeakPolarHBondContact O-CD1 3.29Å; V345-I363 HydrophobicContact CG2-CG2 4.32Å; L348-I363 HydrophobicContact CB-CD1 3.86Å; L348-I363 HydrophobicContact CD2-CD1 4.1Å; L348-I363 HydrophobicContact CG-CD1 4.48Å; K359-I363 WeakPolarHBondContact O-CB 3.36Å; K359-I363 WeakPolarHBondContact O-CD1 3.29Å; K359-I363 WeakPolarHBondContact O-CG1 3.5Å; K359-I363 PolarHBondContact O-N 2.86Å; V360-I363 PolarHBondContact O-N 3.25Å; I363-Y367 HydrophobicContact CG2-CD2 4.31Å; I363-Y367 WeakPolarHBondContact O-CD2 3.46Å; I363-Y367 PolarHBondContact O-N 3.42Å; I363-Y367 VanDerWaalsContact O-N 3.16Å; I363-F398 HydrophobicContact CB-CD2 4.49Å; I363-F398 HydrophobicContact CB-CE2 3.85Å; I363-F398 HydrophobicContact CB-CZ 3.94Å; I363-F398 HydrophobicContact CD1-CD2 4.41Å; I363-F398 HydrophobicContact CD1-CE2 4.22Å; I363-F398 HydrophobicContact CG2-CD1 4.23Å; I363-F398 HydrophobicContact CG2-CD2 3.95Å; I363-F398 HydrophobicContact CG2-CE1 4Å; I363-F398 HydrophobicContact CG2-CE2 3.69Å; I363-F398 HydrophobicContact CG2-CG 4.2Å; I363-F398 HydrophobicContact CG2-CZ 3.71Å
364Y96.3Very high95.3Very high75 Ų7565 Ų6529%0.29438%0.38SS..Iπ-helixtrans-61.4-50.5176.8-177.5-97.2000111.3V360 T361 S362 D366 L368 G369 M383 L390V360-Y364 WeakPolarHBondContact O-CB 3.46Å; V360-Y364 PolarHBondContact O-N 3.46Å; T361-Y364 PolarHBondContact O-N 3.45Å; S362-Y364 VanDerWaalsContact C-N 3.3Å; S362-Y364 PolarHBondContact O-N 3.48Å; Y364-D366 VanDerWaalsContact C-N 3.31Å; Y364-D366 PolarHBondContact O-N 2.97Å; Y364-L368 HydrophobicContact CD2-CB 4.08Å; Y364-L368 HydrophobicContact CE2-CB 4.34Å; Y364-L368 CarbonylContact O-C 3.57Å; Y364-L368 PolarHBondContact O-N 2.78Å; Y364-G369 PolarHBondContact O-N 2.74Å; Y364-M383 HydrophobicContact CE2-CE 4.21Å; Y364-L390 HydrophobicContact CD2-CD1 3.42Å; Y364-L390 VanDerWaalsContact CD2-CD1 3.42Å; Y364-L390 HydrophobicContact CE2-CD1 3.74Å; Y364-L390 HydrophobicContact CG-CD1 4.33Å
365N95.8Very high95.3Very high87 Ų8758.4 Ų58.447%0.46537%0.366SS..Iπ-helixtrans-66.4-31.3-178-70.2-16.9000113.2T361 S362 A372T361-N365 WeakPolarHBondContact O-CB 3.31Å; T361-N365 VanDerWaalsContact O-CG 3.25Å; T361-N365 PolarHBondContact O-N 3.24Å; T361-N365 PolarHBondContact O-ND2 2.95Å; S362-N365 PolarHBondContact O-N 2.72Å; S362-N365 VanDerWaalsContact O-N 3.15Å; N365-A372 VanDerWaalsContact O-CA 3.28Å; N365-A372 WeakPolarHBondContact O-CA 3.31Å
366D97Very high95.3Very high65 Ų6555 Ų5535%0.34835%0.35SS..Iπ-helixtrans-80.6-34-176-65.3-28000112.1S362 Y364 A373 S374S362-D366 WeakPolarHBondContact O-CB 3.42Å; S362-D366 PolarHBondContact O-N 2.75Å; S362-D366 PolarHBondContact OG-OD2 3.45Å; Y364-D366 VanDerWaalsContact C-N 3.31Å; Y364-D366 PolarHBondContact O-N 2.97Å; D366-A373 PolarHBondContact O-N 3.04Å; D366-S374 CarbonylContact O-C 3.5Å; D366-S374 PolarHBondContact O-N 3.44Å
367Y97.5Very high95.1Very high29 Ų2960.1 Ų60.111%0.11438%0.377CS..Iπ-helixtrans-126.6-24.4-166.6-57.8-78.8000116.7R340 F341 A344 I363 S374 P375 V376R340-Y367 HydrophobicContact CB-CE1 4.03Å; R340-Y367 WeakPolarHBondContact CB-OH 3.08Å; F341-Y367 HydrophobicContact CB-CD1 3.74Å; F341-Y367 HydrophobicContact CB-CD2 4.36Å; F341-Y367 HydrophobicContact CB-CE1 4.04Å; F341-Y367 HydrophobicContact CB-CG 3.93Å; F341-Y367 HydrophobicContact CD2-CD1 4.37Å; F341-Y367 AromaticContact CD2-CD2 3.84Å; F341-Y367 HydrophobicContact CD2-CD2 3.84Å; F341-Y367 AromaticContact CD2-CG 3.68Å; F341-Y367 HydrophobicContact CD2-CG 3.68Å; F341-Y367 HydrophobicContact CG-CG 4.25Å; A344-Y367 HydrophobicContact CB-CE2 4.17Å; I363-Y367 HydrophobicContact CG2-CD2 4.31Å; I363-Y367 WeakPolarHBondContact O-CD2 3.46Å; I363-Y367 PolarHBondContact O-N 3.42Å; I363-Y367 VanDerWaalsContact O-N 3.16Å; Y367-S374 VanDerWaalsContact CD1-O 3.23Å; Y367-S374 WeakPolarHBondContact CD1-O 3.25Å; Y367-P375 WeakPolarHBondContact O-CA 3.34Å; Y367-V376 HydrophobicContact CD1-CG1 4.17Å; Y367-V376 PolarHBondContact O-N 2.88Å
368L95.9Very high95Very high20 Ų2057.7 Ų57.711%0.10536%0.361CS..Iπ-helixtrans-126-22.1-169.8-65176.5000114.5F341 Y364 V376 V378 M383 T386 F398F341-L368 HydrophobicContact CE2-CD1 4.08Å; F341-L368 HydrophobicContact CE2-CG 4.28Å; F341-L368 HydrophobicContact CZ-CD1 4.3Å; Y364-L368 HydrophobicContact CD2-CB 4.08Å; Y364-L368 HydrophobicContact CE2-CB 4.34Å; Y364-L368 CarbonylContact O-C 3.57Å; Y364-L368 PolarHBondContact O-N 2.78Å; L368-V376 HydrophobicContact CD2-CG2 3.53Å; L368-V376 HydrophobicContact CG-CG2 4.42Å; L368-V378 HydrophobicContact CD2-CG2 4.03Å; L368-M383 HydrophobicContact CB-CE 4.1Å; L368-M383 HydrophobicContact CB-SD 4.42Å; L368-M383 HydrophobicContact CD2-SD 4.27Å; L368-M383 WeakPolarHBondContact O-CE 3.43Å; L368-T386 HydrophobicContact CD1-CG2 3.98Å; L368-F398 HydrophobicContact CD1-CD1 3.76Å; L368-F398 HydrophobicContact CD1-CE1 3.81Å
369G92.4Very high94.9Very high11 Ų1157.8 Ų57.811%0.11336%0.358CS..SBendtrans-66.3157.4178.600000112.5Y364 S371 A372Y364-G369 PolarHBondContact O-N 2.74Å; G369-S371 PolarHBondContact O-N 2.69Å; G369-A372 WeakPolarHBondContact O-CB 3.27Å; G369-A372 PolarHBondContact O-N 2.95Å
370A90.2Very high94.8Very high114 Ų11459.5 Ų59.594%0.94238%0.377SS*.THydrogen-bonded Turntrans-59.8-20.8-179.300000114.1
371S91Very high94.7Very high119 Ų11966.5 Ų66.583%0.83241%0.408SS*.THydrogen-bonded Turntrans-113.927.1176.3-52.50000112.2G369 A373G369-S371 PolarHBondContact O-N 2.69Å; S371-A373 PolarHBondContact O-N 3.05Å
372A93.8Very high94.8Very high18 Ų1863.8 Ų63.815%0.14939%0.39CS..  trans-57.7131.5-179.100000112.1N365 G369 S374 P375N365-A372 VanDerWaalsContact O-CA 3.28Å; N365-A372 WeakPolarHBondContact O-CA 3.31Å; G369-A372 WeakPolarHBondContact O-CB 3.27Å; G369-A372 PolarHBondContact O-N 2.95Å; A372-S374 VanDerWaalsContact C-N 3.28Å; A372-S374 PolarHBondContact O-N 2.79Å; A372-P375 HydrophobicContact CB-CB 4.2Å
373A91.5Very high94.8Very high87 Ų8762.9 Ų62.972%0.71938%0.381SS*.SBendtrans-71.5-24.8178.900000112.4D366 S371D366-A373 PolarHBondContact O-N 3.04Å; S371-A373 PolarHBondContact O-N 3.05Å
374S94.5Very high94.7Very high43 Ų4367.6 Ų67.630%0.30141%0.406SS..SBendtrans-140.870.2179-67.90000110D366 Y367 A372 V376D366-S374 CarbonylContact O-C 3.5Å; D366-S374 PolarHBondContact O-N 3.44Å; Y367-S374 VanDerWaalsContact CD1-O 3.23Å; Y367-S374 WeakPolarHBondContact CD1-O 3.25Å; A372-S374 VanDerWaalsContact C-N 3.28Å; A372-S374 PolarHBondContact O-N 2.79Å; S374-V376 PolarHBondContact O-N 3.09Å
375P95.3Very high94.7Very high86 Ų8667 Ų6756%0.55841%0.407SS*.  trans-65130.5-171.927.3-33.9000111.7Y367 A372Y367-P375 WeakPolarHBondContact O-CA 3.34Å; A372-P375 HydrophobicContact CB-CB 4.2Å
376V96.6Very high94.7Very high15 Ų1562.8 Ų62.89%0.09139%0.385CS..  trans-92.4145.8171.7-67.60000110.9E337 F341 Y367 L368 S374 V378 I405E337-V376 HydrophobicContact CB-CG1 4.37Å; E337-V376 HydrophobicContact CG-CG1 4.05Å; F341-V376 HydrophobicContact CB-CG1 3.66Å; F341-V376 HydrophobicContact CD1-CG1 4.41Å; F341-V376 HydrophobicContact CD1-CG2 4.29Å; F341-V376 HydrophobicContact CD2-CG2 4.37Å; F341-V376 HydrophobicContact CG-CG1 4.04Å; F341-V376 HydrophobicContact CG-CG2 4.19Å; Y367-V376 HydrophobicContact CD1-CG1 4.17Å; Y367-V376 PolarHBondContact O-N 2.88Å; L368-V376 HydrophobicContact CD2-CG2 3.53Å; L368-V376 HydrophobicContact CG-CG2 4.42Å; S374-V376 PolarHBondContact O-N 3.09Å; V376-V378 HydrophobicContact CG2-CG2 3.84Å; V376-V378 PolarHBondContact O-N 2.85Å; V376-I405 HydrophobicContact CB-CD1 4.03Å; V376-I405 HydrophobicContact CB-CG1 4.48Å; V376-I405 HydrophobicContact CG2-CD1 4.43Å
377N92.7Very high94.6Very high124 Ų12462.5 Ų62.566%0.66338%0.383SS*.  trans-84.1103.8177.7-17320.5000110.6I405N377-I405 WeakPolarHBondContact O-CD1 3.35Å
378V94.6Very high94.5Very high20 Ų2068.2 Ų68.212%0.12141%0.408CS..  trans-119.4129.2178.7175.90000109.2L368 V376 V382 A401 I405L368-V378 HydrophobicContact CD2-CG2 4.03Å; V376-V378 HydrophobicContact CG2-CG2 3.84Å; V376-V378 PolarHBondContact O-N 2.85Å; V378-V382 HydrophobicContact CG1-CB 3.52Å; V378-V382 HydrophobicContact CG1-CG1 3.42Å; V378-V382 VanDerWaalsContact CG1-CG1 3.42Å; V378-A401 HydrophobicContact CG1-CB 4.44Å; V378-A401 HydrophobicContact CG2-CB 4.45Å; V378-I405 HydrophobicContact CG2-CD1 3.86Å; V378-I405 HydrophobicContact CG2-CG1 4.01Å
379D94.4Very high94.4Very high92 Ų9269.8 Ų69.849%0.49242%0.417SS..  trans-52.8143.3177.3-74.6-15.1000112.2K381 V382 M383 H404D379-K381 VanDerWaalsContact C-N 3.26Å; D379-K381 PolarHBondContact O-N 3.28Å; D379-K381 VanDerWaalsContact O-N 3.13Å; D379-V382 HydrophobicContact CB-CG2 4.38Å; D379-V382 WeakPolarHBondContact O-CA 3.44Å; D379-V382 WeakPolarHBondContact O-CB 3.46Å; D379-V382 PolarHBondContact O-N 2.8Å; D379-M383 PolarHBondContact O-N 3.04Å; D379-H404 PolarHBondContact N-NE2 2.79Å; D379-H404 IonicContact OD1-CE1 3.86Å; D379-H404 IonicContact OD1-NE2 3.95Å; D379-H404 IonicContact OD2-CE1 3.2Å; D379-H404 PolarHBondContact OD2-CE1 3.13Å
380S94.7Very high94.5Very high94 Ų9470.9 Ų70.966%0.65742%0.42SS*.Hα-helixtrans-51.7-42.6-176.1560000113.4V382 M383 D384S380-V382 VanDerWaalsContact C-N 3.32Å; S380-V382 PolarHBondContact O-N 3.25Å; S380-M383 WeakPolarHBondContact O-CB 3.5Å; S380-M383 PolarHBondContact O-N 3.38Å; S380-D384 VanDerWaalsContact O-CG 3.23Å; S380-D384 PolarHBondContact O-N 3.44Å
381K96.2Very high94.7Very high155 Ų15573.4 Ų73.467%0.67441%0.413SS*.Hα-helixtrans-60.1-39.8176.9-175.9-178.4178.4-175.80112.6D379 I385D379-K381 VanDerWaalsContact C-N 3.26Å; D379-K381 PolarHBondContact O-N 3.28Å; D379-K381 VanDerWaalsContact O-N 3.13Å; K381-I385 HydrophobicContact CG-CD1 4.45Å; K381-I385 WeakPolarHBondContact O-CD1 3.18Å; K381-I385 VanDerWaalsContact O-CG1 3.3Å; K381-I385 WeakPolarHBondContact O-CG1 3.37Å; K381-I385 PolarHBondContact O-N 3.43Å
382V96.5Very high94.7Very high23 Ų2374.9 Ų74.914%0.13941%0.411CS..Hα-helixtrans-73.6-36.7178.9178.20000110V378 D379 S380 I385 T386 E400 A401 H404V378-V382 HydrophobicContact CG1-CB 3.52Å; V378-V382 HydrophobicContact CG1-CG1 3.42Å; V378-V382 VanDerWaalsContact CG1-CG1 3.42Å; D379-V382 HydrophobicContact CB-CG2 4.38Å; D379-V382 WeakPolarHBondContact O-CA 3.44Å; D379-V382 WeakPolarHBondContact O-CB 3.46Å; D379-V382 PolarHBondContact O-N 2.8Å; S380-V382 VanDerWaalsContact C-N 3.32Å; S380-V382 PolarHBondContact O-N 3.25Å; V382-I385 PolarHBondContact O-N 3.4Å; V382-T386 WeakPolarHBondContact O-CB 3.44Å; V382-T386 PolarHBondContact O-N 3.3Å; V382-T386 PolarHBondContact O-OG1 2.91Å; V382-E400 HydrophobicContact CG1-CB 4.25Å; V382-E400 WeakPolarHBondContact CG1-O 3.39Å; V382-A401 HydrophobicContact CG1-CB 4.19Å; V382-H404 HydrophobicContact CG1-CB 4.15Å; V382-H404 HydrophobicContact CG2-CB 4.38Å
383M95.9Very high94.6Very high38 Ų3876.7 Ų76.719%0.18742%0.423CS..Hα-helixtrans-63.8-40.9173.9-170.957.6-178.600112Y364 L368 D379 S380 I385 T386 N387Y364-M383 HydrophobicContact CE2-CE 4.21Å; L368-M383 HydrophobicContact CB-CE 4.1Å; L368-M383 HydrophobicContact CB-SD 4.42Å; L368-M383 HydrophobicContact CD2-SD 4.27Å; L368-M383 WeakPolarHBondContact O-CE 3.43Å; D379-M383 PolarHBondContact O-N 3.04Å; S380-M383 WeakPolarHBondContact O-CB 3.5Å; S380-M383 PolarHBondContact O-N 3.38Å; M383-I385 PolarHBondContact O-N 3.23Å; M383-T386 PolarHBondContact O-N 2.84Å; M383-N387 WeakPolarHBondContact O-CB 3.3Å; M383-N387 VanDerWaalsContact O-CG 3.3Å; M383-N387 PolarHBondContact O-N 3.34Å; M383-N387 PolarHBondContact O-ND2 2.86Å
384D96Very high94.6Very high105 Ų10573.7 Ų73.756%0.56140%0.4SS*.Hα-helixtrans-61.5-44.4175.5-69-22.4000112S380 T386 N387 K388S380-D384 VanDerWaalsContact O-CG 3.23Å; S380-D384 PolarHBondContact O-N 3.44Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-N387 PolarHBondContact O-N 3.01Å; D384-K388 WeakPolarHBondContact O-CB 3.21Å; D384-K388 PolarHBondContact O-N 3.4Å
385I95.7Very high94.7Very high61 Ų6173.9 Ų73.931%0.31339%0.394SS..Hα-helixtrans-62.5-44.2175.2-66.7163.9000110.4K381 V382 M383 K388 N389 E400K381-I385 HydrophobicContact CG-CD1 4.45Å; K381-I385 WeakPolarHBondContact O-CD1 3.18Å; K381-I385 VanDerWaalsContact O-CG1 3.3Å; K381-I385 WeakPolarHBondContact O-CG1 3.37Å; K381-I385 PolarHBondContact O-N 3.43Å; V382-I385 PolarHBondContact O-N 3.4Å; M383-I385 PolarHBondContact O-N 3.23Å; I385-K388 PolarHBondContact O-N 3.21Å; I385-N389 WeakPolarHBondContact O-CB 3.43Å; I385-N389 VanDerWaalsContact O-CG 3.23Å; I385-N389 PolarHBondContact O-N 3.23Å; I385-E400 HydrophobicContact CG2-CB 4.24Å; I385-E400 HydrophobicContact CG2-CG 4.14Å
386T96Very high94.7Very high0 Ų077.1 Ų77.10%040%0.395CS..Hα-helixtrans-62.5-46.1179.7-56.90000111L368 V382 M383 D384 K388 N389 L390 F398L368-T386 HydrophobicContact CD1-CG2 3.98Å; V382-T386 WeakPolarHBondContact O-CB 3.44Å; V382-T386 PolarHBondContact O-N 3.3Å; V382-T386 PolarHBondContact O-OG1 2.91Å; M383-T386 PolarHBondContact O-N 2.84Å; D384-T386 VanDerWaalsContact C-N 3.34Å; T386-K388 VanDerWaalsContact C-N 3.34Å; T386-K388 PolarHBondContact O-N 3.04Å; T386-N389 WeakPolarHBondContact O-CB 3.46Å; T386-N389 PolarHBondContact O-N 3.2Å; T386-N389 VanDerWaalsContact O-N 3.15Å; T386-L390 HydrophobicContact CG2-CD1 4.19Å; T386-L390 VanDerWaalsContact O-CG 3.29Å; T386-L390 WeakPolarHBondContact O-CG 3.45Å; T386-L390 PolarHBondContact O-N 2.96Å; T386-F398 HydrophobicContact CG2-CD1 3.77Å; T386-F398 HydrophobicContact CG2-CE1 4.22Å
387N95.2Very high94.7Very high59 Ų5976.6 Ų76.632%0.31639%0.393SS..Hα-helixtrans-59.6-43.7176.1-73.7-31.2000111.9M383 D384 N389 L390 E391M383-N387 WeakPolarHBondContact O-CB 3.3Å; M383-N387 VanDerWaalsContact O-CG 3.3Å; M383-N387 PolarHBondContact O-N 3.34Å; M383-N387 PolarHBondContact O-ND2 2.86Å; D384-N387 PolarHBondContact O-N 3.01Å; N387-N389 VanDerWaalsContact C-N 3.34Å; N387-N389 PolarHBondContact O-N 2.93Å; N387-L390 WeakPolarHBondContact O-CB 3.21Å; N387-L390 PolarHBondContact O-N 3.49Å; N387-L390 VanDerWaalsContact O-N 3.12Å; N387-E391 PolarHBondContact O-N 2.97Å
388K95.3Very high95Very high148 Ų14870.7 Ų70.764%0.64336%0.361SS*.Hα-helixtrans-62-41.1174.7-173.9178.6179.9178.90112.2D384 I385 T386 L390 E391D384-K388 WeakPolarHBondContact O-CB 3.21Å; D384-K388 PolarHBondContact O-N 3.4Å; I385-K388 PolarHBondContact O-N 3.21Å; T386-K388 VanDerWaalsContact C-N 3.34Å; T386-K388 PolarHBondContact O-N 3.04Å; K388-L390 PolarHBondContact O-N 2.98Å; K388-E391 WeakPolarHBondContact O-CB 3.48Å; K388-E391 PolarHBondContact O-N 2.81Å
389N94.6Very high95Very high54 Ų5471.3 Ų71.329%0.28936%0.363SS..Hα-helixtrans-67.8-19.6176.4-70.8-15.2000113.2I385 T386 N387 N392 S397I385-N389 WeakPolarHBondContact O-CB 3.43Å; I385-N389 VanDerWaalsContact O-CG 3.23Å; I385-N389 PolarHBondContact O-N 3.23Å; T386-N389 WeakPolarHBondContact O-CB 3.46Å; T386-N389 PolarHBondContact O-N 3.2Å; T386-N389 VanDerWaalsContact O-N 3.15Å; N387-N389 VanDerWaalsContact C-N 3.34Å; N387-N389 PolarHBondContact O-N 2.93Å; N389-N392 CarbonylContact O-C 3.46Å; N389-S397 WeakPolarHBondContact CB-O 3.29Å; N389-S397 PolarHBondContact O-OG 2.72Å
390L94.7Very high95.1Very high34 Ų3471.4 Ų71.418%0.17836%0.361CS..Hα-helixtrans-83.3-18.5177-71.5167.6000113V360 Y364 T386 N387 K388 N392 S393 F398V360-L390 HydrophobicContact CG1-CD2 3.42Å; V360-L390 VanDerWaalsContact CG1-CD2 3.42Å; Y364-L390 HydrophobicContact CD2-CD1 3.42Å; Y364-L390 VanDerWaalsContact CD2-CD1 3.42Å; Y364-L390 HydrophobicContact CE2-CD1 3.74Å; Y364-L390 HydrophobicContact CG-CD1 4.33Å; T386-L390 HydrophobicContact CG2-CD1 4.19Å; T386-L390 VanDerWaalsContact O-CG 3.29Å; T386-L390 WeakPolarHBondContact O-CG 3.45Å; T386-L390 PolarHBondContact O-N 2.96Å; N387-L390 WeakPolarHBondContact O-CB 3.21Å; N387-L390 PolarHBondContact O-N 3.49Å; N387-L390 VanDerWaalsContact O-N 3.12Å; K388-L390 PolarHBondContact O-N 2.98Å; L390-N392 PolarHBondContact O-N 2.88Å; L390-S393 PolarHBondContact O-N 3.32Å; L390-F398 HydrophobicContact CD1-CE1 4.22Å; L390-F398 HydrophobicContact CD2-CE1 4.04Å; L390-F398 HydrophobicContact CD2-CZ 3.84Å
391E93.7Very high95.3Very high167 Ų16766.9 Ų66.978%0.7833%0.329SS*.Hα-helixtrans-58.6-35172.5-65178.6-179.700112N387 K388N387-E391 PolarHBondContact O-N 2.97Å; K388-E391 WeakPolarHBondContact O-CB 3.48Å; K388-E391 PolarHBondContact O-N 2.81Å
392N90.9Very high95.4Very high149 Ų14959.6 Ų59.680%0.79730%0.298SS*.THydrogen-bonded Turntrans-123.367.8168.9-170.818.2000109.5N389 L390 G394N389-N392 CarbonylContact O-C 3.46Å; L390-N392 PolarHBondContact O-N 2.88Å; N392-G394 PolarHBondContact O-N 2.86Å
393S91.2Very high95.4Very high57 Ų5763.3 Ų63.340%0.39931%0.314SS..  trans-53.1134.9-173.262.80000113.1L390 S397L390-S393 PolarHBondContact O-N 3.32Å; S393-S397 WeakPolarHBondContact CA-OG 3.41Å
394G92.9Very high95.5Very high23 Ų2363.6 Ų63.624%0.23731%0.314CS..  trans-155.5-172.8178.700000112.3N392 W396 S397N392-G394 PolarHBondContact O-N 2.86Å; G394-W396 PolarHBondContact O-N 3.08Å; G394-W396 VanDerWaalsContact O-N 3.1Å; G394-S397 PolarHBondContact N-OG 3.39Å; G394-S397 PolarHBondContact O-N 3.35Å; G394-S397 PolarHBondContact O-OG 3.49Å
395R95.7Very high95.5Very high48 Ų4858.6 Ų58.618%0.18129%0.288CS..THydrogen-bonded Turntrans-60-23.1-176.8-173.9-178.4-65-73.1-1.3114L348 R349 S351L348-R395 PolarHBondContact O-NH1 3.26Å; R349-R395 VanDerWaalsContact C-NH1 3.32Å; R349-R395 VanDerWaalsContact O-CD 3.24Å; R349-R395 WeakPolarHBondContact O-CD 3.21Å; R349-R395 PolarHBondContact O-NH1 2.98Å; S351-R395 VanDerWaalsContact O-CZ 3.24Å; S351-R395 PolarHBondContact O-NH1 3.43Å; S351-R395 PolarHBondContact O-NH2 3.1Å
396W96.2Very high95.6Very high153 Ų15356.5 Ų56.558%0.5828%0.276SS*.THydrogen-bonded Turntrans-109.57.5-172.8-46.7114.9000112.6R349 G394 F398 D399R349-W396 HydrophobicContact CB-CZ3 4.45Å; R349-W396 HydrophobicContact CG-CE3 4.12Å; R349-W396 HydrophobicContact CG-CZ3 3.84Å; G394-W396 PolarHBondContact O-N 3.08Å; G394-W396 VanDerWaalsContact O-N 3.1Å; W396-F398 PolarHBondContact O-N 2.85Å; W396-F398 VanDerWaalsContact O-N 3.13Å; W396-D399 VanDerWaalsContact CE3-OD2 3.24Å; W396-D399 PolarHBondContact O-N 2.99Å; W396-D399 VanDerWaalsContact O-N 3.15Å
397S96.3Very high95.7Very high5 Ų558.7 Ų58.74%0.03529%0.291CS..THydrogen-bonded Turntrans-61.9-26.3-171.9-69.10000114N389 S393 G394N389-S397 WeakPolarHBondContact CB-O 3.29Å; N389-S397 PolarHBondContact O-OG 2.72Å; S393-S397 WeakPolarHBondContact CA-OG 3.41Å; G394-S397 PolarHBondContact N-OG 3.39Å; G394-S397 PolarHBondContact O-N 3.35Å; G394-S397 PolarHBondContact O-OG 3.49Å
398F97.7Very high95.8Very high0 Ų059.1 Ų59.10%029%0.293CS..THydrogen-bonded Turntrans-104.710.4-179.4-54.9-73.2000113.9F341 V345 L348 V360 I363 L368 T386 L390 W396 E400 A401 A402F341-F398 HydrophobicContact CZ-CB 4.43Å; V345-F398 HydrophobicContact CG1-CB 4.06Å; V345-F398 HydrophobicContact CG2-CB 3.66Å; V345-F398 HydrophobicContact CG2-CD2 4.36Å; V345-F398 HydrophobicContact CG2-CG 4.2Å; L348-F398 HydrophobicContact CD2-CD2 3.7Å; L348-F398 HydrophobicContact CD2-CE2 3.97Å; V360-F398 HydrophobicContact CB-CE2 4.21Å; V360-F398 HydrophobicContact CG1-CE2 3.95Å; V360-F398 HydrophobicContact CG1-CZ 3.92Å; V360-F398 HydrophobicContact CG2-CE2 4.1Å; V360-F398 WeakPolarHBondContact O-CZ 3.38Å; I363-F398 HydrophobicContact CB-CD2 4.49Å; I363-F398 HydrophobicContact CB-CE2 3.85Å; I363-F398 HydrophobicContact CB-CZ 3.94Å; I363-F398 HydrophobicContact CD1-CD2 4.41Å; I363-F398 HydrophobicContact CD1-CE2 4.22Å; I363-F398 HydrophobicContact CG2-CD1 4.23Å; I363-F398 HydrophobicContact CG2-CD2 3.95Å; I363-F398 HydrophobicContact CG2-CE1 4Å; I363-F398 HydrophobicContact CG2-CE2 3.69Å; I363-F398 HydrophobicContact CG2-CG 4.2Å; I363-F398 HydrophobicContact CG2-CZ 3.71Å; L368-F398 HydrophobicContact CD1-CD1 3.76Å; L368-F398 HydrophobicContact CD1-CE1 3.81Å; T386-F398 HydrophobicContact CG2-CD1 3.77Å; T386-F398 HydrophobicContact CG2-CE1 4.22Å; L390-F398 HydrophobicContact CD1-CE1 4.22Å; L390-F398 HydrophobicContact CD2-CE1 4.04Å; L390-F398 HydrophobicContact CD2-CZ 3.84Å; W396-F398 PolarHBondContact O-N 2.85Å; W396-F398 VanDerWaalsContact O-N 3.13Å; F398-E400 VanDerWaalsContact C-N 3.28Å; F398-E400 PolarHBondContact O-N 3.48Å; F398-A401 PolarHBondContact O-N 3.03Å; F398-A402 VanDerWaalsContact O-CB 3.3Å; F398-A402 WeakPolarHBondContact O-CB 3.22Å; F398-A402 PolarHBondContact O-N 3.3Å
399D96.3Very high95.9Very high32 Ų3252.1 Ų52.117%0.17126%0.262CS..Hα-helixtrans-57.2-42.9-173.4-82.82.1000112.3R349 W396 A402 E403R349-D399 IonicContact CZ-OD1 3.81Å; R349-D399 VanDerWaalsContact CZ-OD1 3.23Å; R349-D399 IonicContact NE-OD1 2.71Å; R349-D399 PolarHBondContact NE-OD1 3.18Å; R349-D399 IonicContact NH2-OD1 3.39Å; R349-D399 PolarHBondContact NH2-OD1 2.68Å; R349-D399 IonicContact NH2-OD2 3.16Å; W396-D399 VanDerWaalsContact CE3-OD2 3.24Å; W396-D399 PolarHBondContact O-N 2.99Å; W396-D399 VanDerWaalsContact O-N 3.15Å; D399-A402 PolarHBondContact O-N 3.4Å; D399-E403 WeakPolarHBondContact O-CB 3.48Å; D399-E403 PolarHBondContact O-N 3.44Å
400E96.4Very high96Very high94 Ų9453 Ų5344%0.43926%0.263SS..Hα-helixtrans-71.7-38-177.3-90.953.6117.500111.9V382 I385 F398 H404V382-E400 HydrophobicContact CG1-CB 4.25Å; V382-E400 WeakPolarHBondContact CG1-O 3.39Å; I385-E400 HydrophobicContact CG2-CB 4.24Å; I385-E400 HydrophobicContact CG2-CG 4.14Å; F398-E400 VanDerWaalsContact C-N 3.28Å; F398-E400 PolarHBondContact O-N 3.48Å; E400-H404 WeakPolarHBondContact O-CB 3.46Å; E400-H404 PolarHBondContact O-N 2.85Å
401A97.7Very high96.1Very high0 Ų057 Ų570%029%0.285CS..Hα-helixtrans-67.3-42.7173.100000111.6F341 V378 V382 F398 H404 I405F341-A401 HydrophobicContact CE1-CB 4.12Å; F341-A401 HydrophobicContact CZ-CB 3.77Å; V378-A401 HydrophobicContact CG1-CB 4.44Å; V378-A401 HydrophobicContact CG2-CB 4.45Å; V382-A401 HydrophobicContact CG1-CB 4.19Å; F398-A401 PolarHBondContact O-N 3.03Å; A401-H404 WeakPolarHBondContact O-CB 3.29Å; A401-H404 PolarHBondContact O-N 3.21Å; A401-I405 WeakPolarHBondContact O-CG1 3.47Å; A401-I405 PolarHBondContact O-N 3.09Å
402A97.6Very high96.3Very high1 Ų152.2 Ų52.21%0.00827%0.265CS..Hα-helixtrans-65.9-38.8178.300000112.1F341 V345 F398 D399 Y406F341-A402 HydrophobicContact CE1-CB 4.4Å; V345-A402 HydrophobicContact CB-CB 4.03Å; V345-A402 HydrophobicContact CG1-CB 3.74Å; V345-A402 HydrophobicContact CG2-CB 4.18Å; F398-A402 VanDerWaalsContact O-CB 3.3Å; F398-A402 WeakPolarHBondContact O-CB 3.22Å; F398-A402 PolarHBondContact O-N 3.3Å; D399-A402 PolarHBondContact O-N 3.4Å; A402-Y406 WeakPolarHBondContact O-CB 3.43Å; A402-Y406 PolarHBondContact O-N 3.19Å
403E97.3Very high96.5Very high101 Ų10145.3 Ų45.347%0.47223%0.229SC..Hα-helixtrans-65.6-41.6174.2-175.259.9-156.400111.3D399 Y406 C407D399-E403 WeakPolarHBondContact O-CB 3.48Å; D399-E403 PolarHBondContact O-N 3.44Å; E403-Y406 PolarHBondContact O-N 2.81Å; E403-C407 WeakPolarHBondContact O-CB 3.49Å; E403-C407 PolarHBondContact O-N 2.88Å
404H97.5Very high96.9Very high44 Ų4443.2 Ų43.220%0.20421%0.212CC..Hα-helixtrans-59.2-50.2175.3-176.777.8000111.7D379 V382 E400 A401 C407 L408D379-H404 PolarHBondContact N-NE2 2.79Å; D379-H404 IonicContact OD1-CE1 3.86Å; D379-H404 IonicContact OD1-NE2 3.95Å; D379-H404 IonicContact OD2-CE1 3.2Å; D379-H404 PolarHBondContact OD2-CE1 3.13Å; V382-H404 HydrophobicContact CG1-CB 4.15Å; V382-H404 HydrophobicContact CG2-CB 4.38Å; E400-H404 WeakPolarHBondContact O-CB 3.46Å; E400-H404 PolarHBondContact O-N 2.85Å; A401-H404 WeakPolarHBondContact O-CB 3.29Å; A401-H404 PolarHBondContact O-N 3.21Å; H404-C407 PolarHBondContact O-N 3.32Å; H404-L408 WeakPolarHBondContact O-CB 3.23Å; H404-L408 PolarHBondContact O-N 2.88Å
405I97.7Very high97.1Very high0 Ų044.8 Ų44.80%021%0.213CC..Hα-helixtrans-67-36.8178.3-64.2-59.9000112.1N338 F341 V376 N377 V378 A401 L408 M409N338-I405 HydrophobicContact CB-CG2 3.73Å; N338-I405 WeakPolarHBondContact O-CG2 3.17Å; F341-I405 HydrophobicContact CD1-CB 4.09Å; F341-I405 HydrophobicContact CD1-CG1 3.81Å; F341-I405 HydrophobicContact CD1-CG2 4.17Å; F341-I405 HydrophobicContact CE1-CB 4.31Å; F341-I405 HydrophobicContact CE1-CG1 3.87Å; V376-I405 HydrophobicContact CB-CD1 4.03Å; V376-I405 HydrophobicContact CB-CG1 4.48Å; V376-I405 HydrophobicContact CG2-CD1 4.43Å; N377-I405 WeakPolarHBondContact O-CD1 3.35Å; V378-I405 HydrophobicContact CG2-CD1 3.86Å; V378-I405 HydrophobicContact CG2-CG1 4.01Å; A401-I405 WeakPolarHBondContact O-CG1 3.47Å; A401-I405 PolarHBondContact O-N 3.09Å; I405-L408 HydrophobicContact CD1-CD2 4.24Å; I405-L408 WeakPolarHBondContact O-CB 3.41Å; I405-L408 PolarHBondContact O-N 3.24Å; I405-M409 HydrophobicContact CG2-CE 4.08Å; I405-M409 WeakPolarHBondContact O-CG 3.38Å; I405-M409 PolarHBondContact O-N 3.43Å
406Y98Very high97.2Very high18 Ų1847.1 Ų47.17%0.07122%0.222CC..Hα-helixtrans-60-48.6173.1171.9-88.4000111.1F313 D314 L317 W342 A402 E403 L408 M409 K410F313-Y406 AromaticContact CD1-CD2 3.88Å; F313-Y406 HydrophobicContact CD1-CD2 3.88Å; F313-Y406 HydrophobicContact CD1-CE1 4.44Å; F313-Y406 AromaticContact CD1-CE2 3.48Å; F313-Y406 HydrophobicContact CD1-CE2 3.48Å; F313-Y406 VanDerWaalsContact CD1-CE2 3.48Å; F313-Y406 AromaticContact CD1-CZ 3.79Å; F313-Y406 AromaticContact CE1-CD2 3.77Å; F313-Y406 HydrophobicContact CE1-CD2 3.77Å; F313-Y406 AromaticContact CE1-CE2 3.87Å; F313-Y406 HydrophobicContact CE1-CE2 3.87Å; F313-Y406 HydrophobicContact CE1-CG 4.37Å; F313-Y406 HydrophobicContact CG-CE2 4.48Å; D314-Y406 PolarHBondContact OD1-OH 2.87Å; D314-Y406 PolarHBondContact OD2-OH 3.14Å; L317-Y406 HydrophobicContact CD1-CD2 3.98Å; L317-Y406 HydrophobicContact CD1-CE2 3.88Å; W342-Y406 HydrophobicContact CZ2-CD2 4.42Å; W342-Y406 AromaticContact NE1-CD2 3.61Å; A402-Y406 WeakPolarHBondContact O-CB 3.43Å; A402-Y406 PolarHBondContact O-N 3.19Å; E403-Y406 PolarHBondContact O-N 2.81Å; Y406-L408 VanDerWaalsContact C-N 3.35Å; Y406-L408 PolarHBondContact O-N 3Å; Y406-M409 PolarHBondContact O-N 3.37Å; Y406-K410 HydrophobicContact CD1-CD 4.42Å; Y406-K410 HydrophobicContact CE1-CB 4.5Å; Y406-K410 HydrophobicContact CE1-CD 3.57Å; Y406-K410 WeakPolarHBondContact O-CB 3.32Å; Y406-K410 PolarHBondContact O-N 3.43Å; Y406-K410 PolarHBondContact OH-NZ 3.31Å
407C97.2Very high97.2Very high45 Ų4539.8 Ų39.830%0.30419%0.194SC..Hα-helixtrans-62.7-39.4177-84.30000112.5E403 H404 K410 N411E403-C407 WeakPolarHBondContact O-CB 3.49Å; E403-C407 PolarHBondContact O-N 2.88Å; H404-C407 PolarHBondContact O-N 3.32Å; C407-K410 PolarHBondContact O-N 2.96Å; C407-N411 VanDerWaalsContact O-CB 3.29Å; C407-N411 WeakPolarHBondContact O-CB 3.27Å; C407-N411 VanDerWaalsContact O-CG 3.26Å; C407-N411 PolarHBondContact O-N 3.2Å; C407-N411 PolarHBondContact O-ND2 2.8Å
408L96.4Very high97.2Very high68 Ų6841.2 Ų41.236%0.35620%0.201SC..Hα-helixtrans-58.1-54.2174.4-179.866.1000110.9H404 I405 Y406 K410 N411 D412H404-L408 WeakPolarHBondContact O-CB 3.23Å; H404-L408 PolarHBondContact O-N 2.88Å; I405-L408 HydrophobicContact CD1-CD2 4.24Å; I405-L408 WeakPolarHBondContact O-CB 3.41Å; I405-L408 PolarHBondContact O-N 3.24Å; Y406-L408 VanDerWaalsContact C-N 3.35Å; Y406-L408 PolarHBondContact O-N 3Å; L408-K410 PolarHBondContact O-N 3.31Å; L408-N411 PolarHBondContact O-N 3.22Å; L408-D412 PolarHBondContact O-N 3.31Å; L408-D412 VanDerWaalsContact O-N 3.14Å
409M97.5Very high97.1Very high1 Ų147.9 Ų47.91%0.00523%0.226CC..Hα-helixtrans-62.2-42.8178.1-69.2-171.1-67.700112F313 F326 L330 N338 L339 W342 I405 Y406 N411 S413 Y414F313-M409 HydrophobicContact CE1-CB 3.84Å; F313-M409 HydrophobicContact CE1-CE 4.37Å; F313-M409 HydrophobicContact CZ-CB 3.6Å; F313-M409 HydrophobicContact CZ-CE 4.13Å; F313-M409 HydrophobicContact CZ-SD 4.38Å; F326-M409 HydrophobicContact CE1-SD 4.26Å; L330-M409 HydrophobicContact CD1-SD 4.35Å; N338-M409 HydrophobicContact CB-CG 3.86Å; N338-M409 HydrophobicContact CB-SD 3.72Å; L339-M409 HydrophobicContact CB-SD 3.98Å; W342-M409 HydrophobicContact CB-CE 3.92Å; W342-M409 HydrophobicContact CG-CE 4.21Å; I405-M409 HydrophobicContact CG2-CE 4.08Å; I405-M409 WeakPolarHBondContact O-CG 3.38Å; I405-M409 PolarHBondContact O-N 3.43Å; Y406-M409 PolarHBondContact O-N 3.37Å; M409-N411 PolarHBondContact O-N 3.06Å; M409-S413 PolarHBondContact O-N 2.83Å; M409-S413 VanDerWaalsContact O-N 3.17Å; M409-Y414 VanDerWaalsContact O-CB 3.29Å; M409-Y414 WeakPolarHBondContact O-CB 3.42Å; M409-Y414 PolarHBondContact O-N 2.94Å
410K97.7Very high97Very high72 Ų7247.3 Ų47.331%0.31323%0.225SC..Hα-helixtrans-61.2-42.6-178.8-178.1170.2-177.8163.80112.8F313 Y406 C407 L408F313-K410 HydrophobicContact CB-CB 4.47Å; F313-K410 HydrophobicContact CB-CD 4.42Å; F313-K410 HydrophobicContact CB-CG 4.06Å; F313-K410 HydrophobicContact CD1-CB 3.59Å; F313-K410 HydrophobicContact CD1-CD 4.41Å; F313-K410 HydrophobicContact CD1-CG 4.08Å; F313-K410 HydrophobicContact CE1-CB 4.1Å; F313-K410 HydrophobicContact CG-CB 4.26Å; F313-K410 HydrophobicContact CG-CG 4.39Å; Y406-K410 HydrophobicContact CD1-CD 4.42Å; Y406-K410 HydrophobicContact CE1-CB 4.5Å; Y406-K410 HydrophobicContact CE1-CD 3.57Å; Y406-K410 WeakPolarHBondContact O-CB 3.32Å; Y406-K410 PolarHBondContact O-N 3.43Å; Y406-K410 PolarHBondContact OH-NZ 3.31Å; C407-K410 PolarHBondContact O-N 2.96Å; L408-K410 PolarHBondContact O-N 3.31Å
411N96.6Very high96.8Very high118 Ų11848 Ų4863%0.63123%0.231SC*.Hα-helixtrans-85.3-20.6-173.5-67.5-32.7000113C407 L408 M409 Q415C407-N411 VanDerWaalsContact O-CB 3.29Å; C407-N411 WeakPolarHBondContact O-CB 3.27Å; C407-N411 VanDerWaalsContact O-CG 3.26Å; C407-N411 PolarHBondContact O-N 3.2Å; C407-N411 PolarHBondContact O-ND2 2.8Å; L408-N411 PolarHBondContact O-N 3.22Å; M409-N411 PolarHBondContact O-N 3.06Å; N411-Q415 WeakPolarHBondContact O-CG 3.47Å
412D96.6Very high96.4Very high67 Ų6750.5 Ų50.536%0.35824%0.243SC..THydrogen-bonded Turntrans-120.9-79.9-178.9-177.830.2000113.1L408 Y414 Q415 R416L408-D412 PolarHBondContact O-N 3.31Å; L408-D412 VanDerWaalsContact O-N 3.14Å; D412-Y414 VanDerWaalsContact C-N 3.35Å; D412-Y414 PolarHBondContact O-N 3.18Å; D412-Q415 WeakPolarHBondContact O-CA 3.2Å; D412-Q415 WeakPolarHBondContact O-CB 3.27Å; D412-Q415 PolarHBondContact O-N 3.24Å; D412-R416 PolarHBondContact O-N 3.36Å; D412-R416 IonicContact OD1-CZ 3.3Å; D412-R416 IonicContact OD1-NE 2.86Å; D412-R416 PolarHBondContact OD1-NE 3.26Å; D412-R416 IonicContact OD1-NH2 3.23Å; D412-R416 PolarHBondContact OD1-NH2 3.49Å; D412-R416 IonicContact OD2-CZ 3.7Å; D412-R416 IonicContact OD2-NE 2.78Å; D412-R416 IonicContact OD2-NH2 2.92Å; D412-R416 PolarHBondContact OD2-NH2 3.37Å
413S97.2Very high96.2Very high5 Ų550.9 Ų50.94%0.03524%0.244CC..Hα-helixtrans-58.3-40.9-170.7-480000113.8L330 M409 Q415 R416 F417L330-S413 VanDerWaalsContact CD2-CB 3.43Å; M409-S413 PolarHBondContact O-N 2.83Å; M409-S413 VanDerWaalsContact O-N 3.17Å; S413-Q415 PolarHBondContact O-N 3.37Å; S413-R416 PolarHBondContact O-N 3.22Å; S413-F417 WeakPolarHBondContact O-CB 3.46Å; S413-F417 PolarHBondContact O-N 3.33Å
414Y98Very high95.9Very high12 Ų1250.9 Ų50.95%0.04724%0.243CC..Hα-helixtrans-62.6-42175169.4-114.1000111.8W309 A310 F313 L316 M409 D412 R416 F417 I418W309-Y414 PolarHBondContact O-OH 3.28Å; A310-Y414 WeakPolarHBondContact CA-OH 3.37Å; A310-Y414 PolarHBondContact O-OH 3.01Å; A310-Y414 VanDerWaalsContact O-OH 3.13Å; F313-Y414 HydrophobicContact CB-CD1 3.93Å; F313-Y414 HydrophobicContact CB-CD2 4.33Å; F313-Y414 HydrophobicContact CB-CE1 4.09Å; F313-Y414 HydrophobicContact CB-CE2 4.44Å; F313-Y414 HydrophobicContact CB-CG 4.08Å; F313-Y414 HydrophobicContact CD2-CD1 4.3Å; F313-Y414 AromaticContact CD2-CD2 3.53Å; F313-Y414 HydrophobicContact CD2-CD2 3.53Å; F313-Y414 HydrophobicContact CD2-CE2 4.23Å; F313-Y414 AromaticContact CD2-CG 3.58Å; F313-Y414 HydrophobicContact CD2-CG 3.58Å; F313-Y414 HydrophobicContact CE2-CD2 4.28Å; F313-Y414 HydrophobicContact CE2-CG 4.29Å; F313-Y414 HydrophobicContact CG-CD1 4.34Å; F313-Y414 HydrophobicContact CG-CD2 4.31Å; F313-Y414 HydrophobicContact CG-CG 4.04Å; L316-Y414 HydrophobicContact CB-CE2 4.3Å; L316-Y414 HydrophobicContact CD2-CD2 3.61Å; L316-Y414 HydrophobicContact CD2-CE2 3.92Å; M409-Y414 VanDerWaalsContact O-CB 3.29Å; M409-Y414 WeakPolarHBondContact O-CB 3.42Å; M409-Y414 PolarHBondContact O-N 2.94Å; D412-Y414 VanDerWaalsContact C-N 3.35Å; D412-Y414 PolarHBondContact O-N 3.18Å; Y414-R416 VanDerWaalsContact C-N 3.3Å; Y414-R416 PolarHBondContact O-N 3.3Å; Y414-F417 PolarHBondContact O-N 3.15Å; Y414-I418 HydrophobicContact CD2-CD1 4.46Å; Y414-I418 HydrophobicContact CD2-CG1 3.89Å; Y414-I418 HydrophobicContact CE1-CG1 4.49Å; Y414-I418 HydrophobicContact CE2-CD1 3.76Å; Y414-I418 HydrophobicContact CE2-CG1 3.38Å; Y414-I418 WeakPolarHBondContact O-CG1 3.31Å; Y414-I418 PolarHBondContact O-N 2.86Å
415Q97.3Very high95.6Very high56 Ų5655.1 Ų55.126%0.26226%0.263SS..Hα-helixtrans-64.9-35.3177.7-66.4-64.2-5300111.8N411 D412 S413 R419N411-Q415 WeakPolarHBondContact O-CG 3.47Å; D412-Q415 WeakPolarHBondContact O-CA 3.2Å; D412-Q415 WeakPolarHBondContact O-CB 3.27Å; D412-Q415 PolarHBondContact O-N 3.24Å; S413-Q415 PolarHBondContact O-N 3.37Å; Q415-R419 WeakPolarHBondContact O-CG 3.47Å; Q415-R419 PolarHBondContact O-NH1 3.23Å
416R97.2Very high95.2Very high97 Ų9757.2 Ų57.237%0.36627%0.273SS..Hα-helixtrans-71.8-43.2172.9-69.2-169.8-86.8149.6-6111.7F329 E333 D412 S413 Y414 I418 R419 S420F329-R416 HydrophobicContact CE1-CB 4.31Å; F329-R416 HydrophobicContact CZ-CB 3.83Å; E333-R416 IonicContact OE1-CZ 3.64Å; E333-R416 IonicContact OE1-NH1 3.58Å; E333-R416 PolarHBondContact OE1-NH1 3.03Å; E333-R416 IonicContact OE2-CZ 2.7Å; E333-R416 VanDerWaalsContact OE2-CZ 3.3Å; E333-R416 IonicContact OE2-NH1 3.56Å; E333-R416 PolarHBondContact OE2-NH1 2.91Å; E333-R416 IonicContact OE2-NH2 3.45Å; D412-R416 PolarHBondContact O-N 3.36Å; D412-R416 IonicContact OD1-CZ 3.3Å; D412-R416 IonicContact OD1-NE 2.86Å; D412-R416 PolarHBondContact OD1-NE 3.26Å; D412-R416 IonicContact OD1-NH2 3.23Å; D412-R416 PolarHBondContact OD1-NH2 3.49Å; D412-R416 IonicContact OD2-CZ 3.7Å; D412-R416 IonicContact OD2-NE 2.78Å; D412-R416 IonicContact OD2-NH2 2.92Å; D412-R416 PolarHBondContact OD2-NH2 3.37Å; S413-R416 PolarHBondContact O-N 3.22Å; Y414-R416 VanDerWaalsContact C-N 3.3Å; Y414-R416 PolarHBondContact O-N 3.3Å; R416-I418 PolarHBondContact O-N 3.46Å; R416-R419 CarbonylContact O-C 3.55Å; R416-R419 PolarHBondContact O-N 2.99Å; R416-R419 VanDerWaalsContact O-N 3.14Å; R416-S420 PolarHBondContact O-N 3.36Å
417F97.4Very high94.8Very high0 Ų058.7 Ų58.70%028%0.282CS..Hα-helixtrans-56.8-51.6177.7172.3-107.6000112.5W309 L316 C325 F326 F329 S413 Y414 R419 S420 Y423W309-F417 HydrophobicContact CE3-CE1 4.42Å; W309-F417 HydrophobicContact CE3-CZ 4.36Å; W309-F417 HydrophobicContact CZ3-CZ 4.5Å; L316-F417 HydrophobicContact CD1-CE1 3.76Å; L316-F417 HydrophobicContact CD1-CZ 4.35Å; L316-F417 HydrophobicContact CD2-CD1 3.85Å; L316-F417 HydrophobicContact CD2-CE1 3.87Å; C325-F417 HydrophobicContact CB-CZ 4.31Å; F326-F417 HydrophobicContact CD2-CB 3.78Å; F326-F417 AromaticContact CD2-CD1 3.97Å; F326-F417 HydrophobicContact CD2-CD1 3.97Å; F326-F417 HydrophobicContact CD2-CD2 4Å; F326-F417 AromaticContact CD2-CG 3.64Å; F326-F417 HydrophobicContact CD2-CG 3.64Å; F326-F417 HydrophobicContact CE2-CB 3.75Å; F326-F417 HydrophobicContact CE2-CG 4.14Å; F329-F417 HydrophobicContact CB-CD2 3.74Å; F329-F417 HydrophobicContact CB-CE2 4.26Å; F329-F417 HydrophobicContact CD1-CB 3.86Å; F329-F417 HydrophobicContact CD1-CD2 4.16Å; F329-F417 HydrophobicContact CD1-CG 4.46Å; F329-F417 HydrophobicContact CD2-CD2 4.1Å; F329-F417 HydrophobicContact CE1-CB 3.93Å; F329-F417 HydrophobicContact CG-CB 4.22Å; F329-F417 AromaticContact CG-CD2 3.73Å; F329-F417 HydrophobicContact CG-CD2 3.73Å; F329-F417 HydrophobicContact CG-CG 4.45Å; F329-F417 HydrophobicContact CZ-CB 4.34Å; S413-F417 WeakPolarHBondContact O-CB 3.46Å; S413-F417 PolarHBondContact O-N 3.33Å; Y414-F417 PolarHBondContact O-N 3.15Å; F417-R419 PolarHBondContact O-N 3.19Å; F417-S420 VanDerWaalsContact O-CB 3.27Å; F417-S420 WeakPolarHBondContact O-CB 3.33Å; F417-S420 PolarHBondContact O-N 2.84Å; F417-S420 PolarHBondContact O-OG 3.08Å; F417-Y423 AromaticContact CE1-CD2 3.98Å; F417-Y423 HydrophobicContact CE1-CD2 3.98Å; F417-Y423 HydrophobicContact CZ-CD2 4.14Å; F417-Y423 VanDerWaalsContact O-CB 3.25Å; F417-Y423 WeakPolarHBondContact O-CB 3.48Å
418I96.8Very high93.9Very high35 Ų3560.5 Ų60.518%0.17930%0.295CS..Hα-helixtrans-65.5-21.5-179.8-63-60.1000112.6A310 Y414 R416 Y423A310-I418 HydrophobicContact CB-CD1 4.1Å; A310-I418 HydrophobicContact CB-CG2 3.92Å; Y414-I418 HydrophobicContact CD2-CD1 4.46Å; Y414-I418 HydrophobicContact CD2-CG1 3.89Å; Y414-I418 HydrophobicContact CE1-CG1 4.49Å; Y414-I418 HydrophobicContact CE2-CD1 3.76Å; Y414-I418 HydrophobicContact CE2-CG1 3.38Å; Y414-I418 WeakPolarHBondContact O-CG1 3.31Å; Y414-I418 PolarHBondContact O-N 2.86Å; R416-I418 PolarHBondContact O-N 3.46Å; I418-Y423 HydrophobicContact CD1-CD1 4.36Å; I418-Y423 HydrophobicContact CD1-CD2 3.99Å; I418-Y423 HydrophobicContact CD1-CE1 4.13Å; I418-Y423 HydrophobicContact CD1-CE2 3.77Å; I418-Y423 HydrophobicContact CD1-CG 4.28Å; I418-Y423 HydrophobicContact CG2-CD1 4.27Å; I418-Y423 HydrophobicContact CG2-CE1 3.97Å; I418-Y423 WeakPolarHBondContact O-CD1 3.47Å
419R95.3Very high92.3Very high139 Ų13959.4 Ų59.453%0.52530%0.3SS..Hα-helixtrans-91.8-13.7174.2-66.4-178.7-167.9109.116.8113.8Q415 R416 F417 K424Q415-R419 WeakPolarHBondContact O-CG 3.47Å; Q415-R419 PolarHBondContact O-NH1 3.23Å; R416-R419 CarbonylContact O-C 3.55Å; R416-R419 PolarHBondContact O-N 2.99Å; R416-R419 VanDerWaalsContact O-N 3.14Å; F417-R419 PolarHBondContact O-N 3.19Å; R419-K424 WeakPolarHBondContact O-CE 3.07Å; R419-K424 PolarHBondContact O-NZ 2.82Å
420S94.5Very high90.2Very high21 Ų2164.1 Ų64.115%0.14732%0.322CS..SBendtrans-65.5151.7-176.174.90000111.7R416 F417 H422 Y423 K424R416-S420 PolarHBondContact O-N 3.36Å; F417-S420 VanDerWaalsContact O-CB 3.27Å; F417-S420 WeakPolarHBondContact O-CB 3.33Å; F417-S420 PolarHBondContact O-N 2.84Å; F417-S420 PolarHBondContact O-OG 3.08Å; S420-H422 PolarHBondContact O-N 3.09Å; S420-Y423 PolarHBondContact O-N 3.23Å; S420-Y423 PolarHBondContact OG-N 3.16Å; S420-K424 WeakPolarHBondContact O-CG 3.47Å; S420-K424 PolarHBondContact O-N 2.87Å
421D91.9Very high87.5Confident107 Ų10768.9 Ų68.957%0.57234%0.342SS*.Hα-helixtrans-66.1-27.1174.3-64.2-29.8000111.5Y423 K424 E425D421-Y423 PolarHBondContact O-N 2.93Å; D421-K424 PolarHBondContact O-N 2.92Å; D421-K424 IonicContact OD1-NZ 2.86Å; D421-K424 PolarHBondContact OD1-NZ 3.19Å; D421-E425 WeakPolarHBondContact O-CB 3.42Å; D421-E425 VanDerWaalsContact O-CG 3.28Å; D421-E425 WeakPolarHBondContact O-CG 3.34Å; D421-E425 PolarHBondContact O-N 3.35Å
422H89Confident84.7Confident53 Ų5372.9 Ų72.925%0.24535%0.354CS..Hα-helixtrans-57.5-48.6173.3-172.850.9000112.2S420 E425 L426S420-H422 PolarHBondContact O-N 3.09Å; H422-E425 PolarHBondContact O-N 3.38Å; H422-L426 WeakPolarHBondContact O-CG 3.4Å; H422-L426 PolarHBondContact O-N 3Å
423Y93.5Very high81.9Confident10 Ų1079.5 Ų79.54%0.03938%0.38CS..Hα-helixtrans-65.8-40.5176.7176.2-104.7000112.3V306 W309 A310 F417 I418 S420 D421 E425 L426 I427V306-Y423 HydrophobicContact CG1-CD2 4.08Å; V306-Y423 HydrophobicContact CG1-CE2 3.59Å; V306-Y423 PolarHBondContact O-OH 2.98Å; V306-Y423 VanDerWaalsContact O-OH 3.13Å; W309-Y423 HydrophobicContact CB-CE2 4.4Å; W309-Y423 HydrophobicContact CE3-CD2 4.43Å; W309-Y423 HydrophobicContact CE3-CE2 4.24Å; A310-Y423 HydrophobicContact CB-CE1 4.38Å; A310-Y423 VanDerWaalsContact CB-OH 3.22Å; A310-Y423 WeakPolarHBondContact CB-OH 3.47Å; F417-Y423 AromaticContact CE1-CD2 3.98Å; F417-Y423 HydrophobicContact CE1-CD2 3.98Å; F417-Y423 HydrophobicContact CZ-CD2 4.14Å; F417-Y423 VanDerWaalsContact O-CB 3.25Å; F417-Y423 WeakPolarHBondContact O-CB 3.48Å; I418-Y423 HydrophobicContact CD1-CD1 4.36Å; I418-Y423 HydrophobicContact CD1-CD2 3.99Å; I418-Y423 HydrophobicContact CD1-CE1 4.13Å; I418-Y423 HydrophobicContact CD1-CE2 3.77Å; I418-Y423 HydrophobicContact CD1-CG 4.28Å; I418-Y423 HydrophobicContact CG2-CD1 4.27Å; I418-Y423 HydrophobicContact CG2-CE1 3.97Å; I418-Y423 WeakPolarHBondContact O-CD1 3.47Å; S420-Y423 PolarHBondContact O-N 3.23Å; S420-Y423 PolarHBondContact OG-N 3.16Å; D421-Y423 PolarHBondContact O-N 2.93Å; Y423-E425 VanDerWaalsContact C-N 3.32Å; Y423-E425 PolarHBondContact O-N 2.79Å; Y423-L426 WeakPolarHBondContact O-CB 3.41Å; Y423-L426 PolarHBondContact O-N 3.13Å; Y423-I427 HydrophobicContact CD1-CD1 3.81Å; Y423-I427 HydrophobicContact CE1-CD1 3.2Å; Y423-I427 HydrophobicContact CE1-CG1 4.17Å; Y423-I427 HydrophobicContact CE2-CD1 4.28Å; Y423-I427 HydrophobicContact CE2-CG1 4.44Å; Y423-I427 VanDerWaalsContact CZ-CD1 3.47Å; Y423-I427 PolarHBondContact O-N 3.45Å; Y423-I427 VanDerWaalsContact O-N 3.15Å
424K91.7Very high78.9Confident101 Ų10183.7 Ų83.744%0.43941%0.409SS..Hα-helixtrans-62.9-38177.2-64.3174.9-158.2150.60112.3R419 S420 D421 I427 C428R419-K424 WeakPolarHBondContact O-CE 3.07Å; R419-K424 PolarHBondContact O-NZ 2.82Å; S420-K424 WeakPolarHBondContact O-CG 3.47Å; S420-K424 PolarHBondContact O-N 2.87Å; D421-K424 PolarHBondContact O-N 2.92Å; D421-K424 IonicContact OD1-NZ 2.86Å; D421-K424 PolarHBondContact OD1-NZ 3.19Å; K424-I427 PolarHBondContact O-N 2.6Å; K424-C428 WeakPolarHBondContact O-CB 3.45Å; K424-C428 PolarHBondContact O-N 3.38Å; K424-C428 PolarHBondContact O-SG 2.86Å
425E89.9Confident75.8Confident133 Ų13388.1 Ų88.162%0.62144%0.437SS*.Hα-helixtrans-64.3-40.2175-76173.517800111.8D421 H422 Y423 I427 C428 G429D421-E425 WeakPolarHBondContact O-CB 3.42Å; D421-E425 VanDerWaalsContact O-CG 3.28Å; D421-E425 WeakPolarHBondContact O-CG 3.34Å; D421-E425 PolarHBondContact O-N 3.35Å; H422-E425 PolarHBondContact O-N 3.38Å; Y423-E425 VanDerWaalsContact C-N 3.32Å; Y423-E425 PolarHBondContact O-N 2.79Å; E425-I427 VanDerWaalsContact C-N 3.34Å; E425-I427 PolarHBondContact O-N 2.84Å; E425-C428 PolarHBondContact O-N 3.13Å; E425-G429 WeakPolarHBondContact O-CA 3.5Å; E425-G429 PolarHBondContact O-N 3.5Å
426L90.2Very high72.7Confident43 Ų4389.2 Ų89.223%0.22546%0.464CS..Hα-helixtrans-62.5-39175.8-67.5173.5000112.1L301 V306 W309 C325 H422 Y423L301-L426 HydrophobicContact CD1-CD2 4.02Å; V306-L426 HydrophobicContact CG1-CB 3.88Å; V306-L426 HydrophobicContact CG2-CB 4.4Å; W309-L426 HydrophobicContact CZ3-CD1 4.02Å; C325-L426 HydrophobicContact CB-CD1 4.29Å; H422-L426 WeakPolarHBondContact O-CG 3.4Å; H422-L426 PolarHBondContact O-N 3Å; Y423-L426 WeakPolarHBondContact O-CB 3.41Å; Y423-L426 PolarHBondContact O-N 3.13Å
427I88.6Confident69.5Low49 Ų4993 Ų9325%0.25148%0.483SS..Hα-helixtrans-67.6-43.2174.7-63165.4000111.3V306 R307 Y423 K424 E425V306-I427 HydrophobicContact CB-CG1 4.48Å; V306-I427 HydrophobicContact CG1-CG1 3.72Å; R307-I427 HydrophobicContact CG-CG2 4.41Å; Y423-I427 HydrophobicContact CD1-CD1 3.81Å; Y423-I427 HydrophobicContact CE1-CD1 3.2Å; Y423-I427 HydrophobicContact CE1-CG1 4.17Å; Y423-I427 HydrophobicContact CE2-CD1 4.28Å; Y423-I427 HydrophobicContact CE2-CG1 4.44Å; Y423-I427 VanDerWaalsContact CZ-CD1 3.47Å; Y423-I427 PolarHBondContact O-N 3.45Å; Y423-I427 VanDerWaalsContact O-N 3.15Å; K424-I427 PolarHBondContact O-N 2.6Å; E425-I427 VanDerWaalsContact C-N 3.34Å; E425-I427 PolarHBondContact O-N 2.84Å
428C78.3Confident66.2Low84 Ų84101.8 Ų101.857%0.56853%0.526SS*.Hα-helixtrans-80.4-13.1-175.5-74.10000114.3K424 E425 E430 K431K424-C428 WeakPolarHBondContact O-CB 3.45Å; K424-C428 PolarHBondContact O-N 3.38Å; K424-C428 PolarHBondContact O-SG 2.86Å; E425-C428 PolarHBondContact O-N 3.13Å; C428-E430 PolarHBondContact O-N 3.31Å; C428-K431 PolarHBondContact O-N 2.84Å
429G63.3Low63Low45 Ų45105.1 Ų105.146%0.46456%0.559SS.*THydrogen-bonded Turntrans-56.1-17.1-171.800000115.5E425E425-G429 WeakPolarHBondContact O-CA 3.5Å; E425-G429 PolarHBondContact O-N 3.5Å
430E53.5Low59.8Low100 Ų100101.7 Ų101.747%0.46757%0.566SS.*THydrogen-bonded Turntrans-70.4-25.7174.5-73.5179.6168.500113.8N302 S303 C428N302-E430 WeakPolarHBondContact CA-OE1 3.16Å; N302-E430 WeakPolarHBondContact CB-OE1 3.28Å; S303-E430 VanDerWaalsContact CB-CD 3.43Å; S303-E430 WeakPolarHBondContact CB-OE2 3.43Å; S303-E430 PolarHBondContact N-OE1 2.92Å; S303-E430 VanDerWaalsContact OG-CD 3.28Å; S303-E430 PolarHBondContact OG-OE1 3.26Å; S303-E430 PolarHBondContact OG-OE2 2.91Å; C428-E430 PolarHBondContact O-N 3.31Å
431K41.8Very low56.9Low171 Ų171109.1 Ų109.174%0.74360%0.603SS**SBendtrans-88.7-13.5-172.5-67.9-170178.9-178.80115.5C428C428-K431 PolarHBondContact O-N 2.84Å
432K36.8Very low53.9Low203 Ų203116.2 Ų116.288%0.88362%0.622SS**THydrogen-bonded Turntrans-89.1-5.9-175.3-82.2-175177.3175.70115.1
433K37.1Very low51.3Low205 Ų205119 Ų11989%0.89165%0.647SS**THydrogen-bonded Turntrans-94.93177.9-71.8-172.5178.3177.30114.9
434S34.6Very low48.3Very low94 Ų94125 Ų12566%0.65769%0.685SS**SBendtrans-139.3-1.4-173.650.40000118.4
435V33.8Very low45.5Very low105 Ų105127 Ų12764%0.63670%0.699SS**  trans-13787.8-173-171.80000114K437V435-K437 WeakPolarHBondContact CG1-O 3.47Å
436G30.6Very low42.7Very low79 Ų79125.4 Ų125.481%0.81470%0.702SS**  trans-88.185.6143.500000108.7
437K30Very low40.4Very low176 Ų176131.8 Ų131.877%0.76573%0.729SS**SBendtrans170.7129.8155.4-99.6164.5-176.5-179.90111.2V435V435-K437 WeakPolarHBondContact CG1-O 3.47Å
438M29.8Very low37.9Very low185 Ų185135.4 Ų135.491%0.91176%0.755SS**  trans80.8119.7160.8-79.1-176.2-85.700119.9
439A29.6Very low35.6Very low105 Ų105134.4 Ų134.487%0.86876%0.759SS**  trans-78.5157.9177.100000112.4
440G27.3Very low34.2Very low66 Ų66140 Ų14068%0.6877%0.771SS**  trans9896.8157.700000114.3
441L34.7Very low33.1Very low177 Ų177146.3 Ų146.393%0.92779%0.79SS**  -173.4116.9128.1-118.179.6000108.6
442R27.5Very low32.5Very low256 Ų256145 Ų14597%0.96679%0.792SS**  trans-73125.7166.9-74.7176.6171.1177.6-3.2107.8
443S34.8Very low32.2Very low111 Ų111141.2 Ų141.278%0.77679%0.785SS**  trans-139143.2159.288.70000111.5
444V29.8Very low32Very low136 Ų136135.6 Ų135.682%0.82477%0.771SS**  trans-90.2123.9-160.3175.40000109.1
445I34.1Very low31.7Very low144 Ų144139.3 Ų139.374%0.73878%0.783SS**  trans-103.1101.6164.6-60.8176000106.5
446S30.4Very low31.6Very low99 Ų99141.4 Ų141.469%0.69279%0.79SS**  trans-81.5119.2168.670.20000109
447F42.3Very low31.5Very low178 Ų178143.4 Ų143.478%0.78179%0.789SS**  trans-72.4134.4162.1-69.4-88.4000108.3G449F447-G449 PolarHBondContact O-N 3.31Å
448P35.9Very low31.6Very low124 Ų124144.1 Ų144.181%0.80580%0.797SS**  trans-64.3108.2168.526.3-29.1000107.3K450P448-K450 PolarHBondContact O-N 2.8Å
449G30.5Very low31.7Very low63 Ų63144.9 Ų144.965%0.64980%0.795SS**  trans-55.7135.7173.500000109.8F447 R451F447-G449 PolarHBondContact O-N 3.31Å; G449-R451 PolarHBondContact O-N 2.62Å
450K33.1Very low31.7Very low163 Ų163148.3 Ų148.371%0.70980%0.798SS**  trans-40.3112.3165.7-70.6177.8173.8-177.40108.9P448 D452P448-K450 PolarHBondContact O-N 2.8Å; K450-D452 PolarHBondContact O-N 2.83Å
451R30.7Very low32.6Very low233 Ų233154.1 Ų154.188%0.87983%0.828SS**  trans-78.5105.9154.7-71.2-172.8-157.3159.47.4105.7G449 V453G449-R451 PolarHBondContact O-N 2.62Å; R451-V453 PolarHBondContact O-N 3.3Å
452D29.3Very low32.5Very low144 Ų144153 Ų15377%0.7782%0.823SS**  trans-47.7110.2156.4-78.2-44.7000107.9K450 S454K450-D452 PolarHBondContact O-N 2.83Å; D452-S454 PolarHBondContact O-N 2.96Å
453V31.2Very low32.7Very low122 Ų122147.6 Ų147.674%0.73982%0.816SS**  trans-76.985.3160.6-179.90000104.9R451 L455R451-V453 PolarHBondContact O-N 3.3Å; V453-L455 PolarHBondContact O-N 3.32Å
454S31.7Very low32.6Very low87 Ų87149.6 Ų149.661%0.60882%0.818SS**  trans-56.4119.2165.245.20000108.4D452 L456D452-S454 PolarHBondContact O-N 2.96Å; S454-L456 PolarHBondContact O-N 3.28Å
455L28.8Very low32.8Very low172 Ų172150.4 Ų150.490%0.90182%0.818SS**  trans-58.6101.6165.7-73.4159.1000108V453V453-L455 PolarHBondContact O-N 3.32Å
456L31.3Very low32.7Very low149 Ų149150.8 Ų150.878%0.7882%0.823SS**  trans-85.9125.1162.6-80.1170.4000108.7S454 M458S454-L456 PolarHBondContact O-N 3.28Å; L456-M458 PolarHBondContact O-N 2.81Å
457P29Very low32.9Very low122 Ų122154.3 Ų154.379%0.79283%0.831SS**  trans-79.3118.2167.331.9-26.5000107.3
458M32.6Very low32.2Very low190 Ų190152.6 Ų152.694%0.93684%0.835SS**  trans-116.2122.3163.9-98.2-169.4172.900110.6L456L456-M458 PolarHBondContact O-N 2.81Å
459K32Very low31.9Very low202 Ų202154.8 Ų154.888%0.87884%0.837SS**  trans-59.8151-176.6-70.6171.6171.8176.60112.1
460L29.2Very low32Very low177 Ų177162.4 Ų162.493%0.92785%0.853SS**  trans-50.2136.3163.6-72.2146.7000112.4
461S45.5Very low31.9Very low188 Ų188162.4 Ų162.4100%1.31587%0.866SS**  trans-132.6013564.20000107.6

Retrieved 461 of 461 residues in 277.5 ms (Link to these results)

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