A0A077Z939_TRITR Loading...

WD repeat-containing protein 19

AlphaFold DB , UniProt , Accession A0A077Z939, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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
1M43.2Very low46.9Very low224 Ų224138.7 Ų138.7100%1.10370%0.701SS**  0-35.20-147.8175.3-77.600113G3M1-G3 PolarHBondContact O-N 2.63Å
2L44.9Very low48.2Very low161 Ų161128.6 Ų128.684%0.84366%0.657SS**Hα-helixtrans-68.4-22.1178.1-76.9155.4000115.8
3G40.9Very low50.6Low53 Ų53122.2 Ų122.255%0.54663%0.632SS.*Hα-helixtrans-74.9-32.4-175.900000115.4M1M1-G3 PolarHBondContact O-N 2.63Å
4I44.8Very low53.1Low130 Ų130118.6 Ų118.667%0.66762%0.619SS**Hα-helixtrans-77.6-35.7-177.9-60.7172.6000110.7L6 W7 F8I4-L6 PolarHBondContact O-N 3.11Å; I4-W7 PolarHBondContact O-N 2.95Å; I4-F8 PolarHBondContact O-N 3.48Å
5A47.9Very low55.5Low61 Ų61118.8 Ų118.850%0.50462%0.616SS.*Hα-helixtrans-63.6-29.2176.200000112.6L9A5-L9 WeakPolarHBondContact O-CG 3.09Å
6L42.5Very low57.8Low125 Ų125116.5 Ų116.565%0.65460%0.604SS**Hα-helixtrans-76.9-34.1-179.1-146.679.8000112.7I4 L9I4-L6 PolarHBondContact O-N 3.11Å; L6-L9 PolarHBondContact O-N 3.07Å
7W42.6Very low59.8Low216 Ų216110.3 Ų110.382%0.81857%0.571SS**Hα-helixtrans-70.7-35.1176.1-99.166.1000112.6I4 L9 E10I4-W7 PolarHBondContact O-N 2.95Å; W7-L9 PolarHBondContact O-N 2.98Å; W7-E10 PolarHBondContact O-N 3.44Å
8F51.7Low61.7Low170 Ų170106.8 Ų106.875%0.74656%0.555SS**THydrogen-bonded Turntrans-67.8-18.1176.4-115.4-86.4000113.7I4 E10I4-F8 PolarHBondContact O-N 3.48Å; F8-E10 VanDerWaalsContact C-N 3.3Å; F8-E10 PolarHBondContact O-N 3.24Å
9L49.8Very low63.4Low50 Ų50106.9 Ų106.926%0.26256%0.557SS.*THydrogen-bonded Turntrans-87.511.4178.5-70.7171.7000113.6A5 L6 W7 Y17 L20 K39A5-L9 WeakPolarHBondContact O-CG 3.09Å; L6-L9 PolarHBondContact O-N 3.07Å; W7-L9 PolarHBondContact O-N 2.98Å; L9-Y17 VanDerWaalsContact C-OH 3.25Å; L9-Y17 VanDerWaalsContact O-CE1 3.22Å; L9-Y17 WeakPolarHBondContact O-CE1 3.24Å; L9-Y17 PolarHBondContact O-OH 3.28Å; L9-L20 HydrophobicContact CD2-CD1 3.53Å; L9-K39 PolarHBondContact O-NZ 3.48Å
10E50Low64.9Low145 Ų145103.8 Ų103.868%0.67854%0.541SS*.THydrogen-bonded Turntrans-98.8-26.6170.1-61.5-151.7147.400112.8W7 F8 Y17W7-E10 PolarHBondContact O-N 3.44Å; F8-E10 VanDerWaalsContact C-N 3.3Å; F8-E10 PolarHBondContact O-N 3.24Å; E10-Y17 VanDerWaalsContact CA-OH 3.3Å; E10-Y17 WeakPolarHBondContact CA-OH 3.44Å; E10-Y17 PolarHBondContact O-OH 2.94Å
11E57Low66.3Low191 Ų19198.9 Ų98.989%0.89352%0.515SS*.SBendtrans-105.925.1175.4-61.7-171.2171.600113.3
12G62.7Low68.7Low17 Ų1790.1 Ų90.118%0.17547%0.473CS..  trans-64.8145.4174.300000112.2Y17G12-Y17 PolarHBondContact N-OH 3.33Å; G12-Y17 WeakPolarHBondContact O-CE2 3.49Å
13S80.1Confident71.1Confident46 Ų4688.3 Ų88.332%0.32246%0.456SS..  trans-64.9152.3169.383.80000110.3E15 I16 Y17S13-E15 WeakPolarHBondContact CB-OE2 3.49Å; S13-E15 PolarHBondContact O-N 2.95Å; S13-E15 VanDerWaalsContact O-N 3.07Å; S13-E15 PolarHBondContact OG-OE2 3.45Å; S13-I16 WeakPolarHBondContact O-CB 3.29Å; S13-I16 PolarHBondContact O-N 3.07Å; S13-Y17 PolarHBondContact O-N 3.24Å
14P85.7Confident73.6Confident71 Ų7187.6 Ų87.646%0.46144%0.437SS..Hα-helixtrans-52.7-31177.8-27.235.6000113.6Y17 T18P14-Y17 PolarHBondContact O-N 3.43Å; P14-T18 WeakPolarHBondContact O-CB 3.45Å; P14-T18 PolarHBondContact O-N 3.07Å; P14-T18 PolarHBondContact O-OG1 3.46Å
15E88.3Confident75.9Confident122 Ų12286 Ų8657%0.5742%0.423SS*.Hα-helixtrans-67.5-41.9177-56.377.1-163.500111.9S13 Y17 T18 N19S13-E15 WeakPolarHBondContact CB-OE2 3.49Å; S13-E15 PolarHBondContact O-N 2.95Å; S13-E15 VanDerWaalsContact O-N 3.07Å; S13-E15 PolarHBondContact OG-OE2 3.45Å; E15-Y17 VanDerWaalsContact C-N 3.31Å; E15-Y17 PolarHBondContact O-N 2.8Å; E15-T18 PolarHBondContact O-N 2.8Å; E15-N19 VanDerWaalsContact O-CG 3.31Å; E15-N19 PolarHBondContact O-N 3.21Å; E15-N19 PolarHBondContact O-ND2 2.89Å
16I92Very high78Confident82 Ų8290.2 Ų90.242%0.42143%0.432SS..Hα-helixtrans-61.6-43.7176.7-65.7172.8000110S13 T18 N19 L20S13-I16 WeakPolarHBondContact O-CB 3.29Å; S13-I16 PolarHBondContact O-N 3.07Å; I16-T18 VanDerWaalsContact C-N 3.35Å; I16-N19 PolarHBondContact O-N 3.39Å; I16-L20 HydrophobicContact CG2-CD1 4.06Å; I16-L20 WeakPolarHBondContact O-CB 3.5Å; I16-L20 WeakPolarHBondContact O-CG 3.32Å; I16-L20 PolarHBondContact O-N 3.23Å
17Y92.8Very high80.4Confident11 Ų1188.8 Ų88.84%0.04342%0.422CS..Hα-helixtrans-66.7-37.1177.5-65.8-46.8000112.7L9 E10 G12 S13 P14 E15 L20 A21 F36 K39L9-Y17 VanDerWaalsContact C-OH 3.25Å; L9-Y17 VanDerWaalsContact O-CE1 3.22Å; L9-Y17 WeakPolarHBondContact O-CE1 3.24Å; L9-Y17 PolarHBondContact O-OH 3.28Å; E10-Y17 VanDerWaalsContact CA-OH 3.3Å; E10-Y17 WeakPolarHBondContact CA-OH 3.44Å; E10-Y17 PolarHBondContact O-OH 2.94Å; G12-Y17 PolarHBondContact N-OH 3.33Å; G12-Y17 WeakPolarHBondContact O-CE2 3.49Å; S13-Y17 PolarHBondContact O-N 3.24Å; P14-Y17 PolarHBondContact O-N 3.43Å; E15-Y17 VanDerWaalsContact C-N 3.31Å; E15-Y17 PolarHBondContact O-N 2.8Å; Y17-L20 HydrophobicContact CD1-CD1 4.45Å; Y17-L20 PolarHBondContact O-N 3.17Å; Y17-A21 WeakPolarHBondContact O-CB 3.23Å; Y17-A21 PolarHBondContact O-N 3.13Å; Y17-F36 AromaticContact CD1-CD1 3.92Å; Y17-F36 HydrophobicContact CD1-CD1 3.92Å; Y17-F36 HydrophobicContact CD1-CE1 4.44Å; Y17-K39 HydrophobicContact CD1-CB 3.94Å; Y17-K39 HydrophobicContact CD1-CD 4.08Å; Y17-K39 HydrophobicContact CD2-CB 3.77Å; Y17-K39 WeakPolarHBondContact CD2-O 3.37Å; Y17-K39 HydrophobicContact CE1-CB 4.16Å; Y17-K39 HydrophobicContact CE1-CD 3.69Å; Y17-K39 HydrophobicContact CE2-CB 3.99Å; Y17-K39 HydrophobicContact CG-CB 3.73Å
18T93.1Very high82.6Confident47 Ų4780.9 Ų80.929%0.28841%0.407SS..Hα-helixtrans-62.6-46.8174.8-56.90000110.9P14 E15 I16 L20 A21 D22 Y37P14-T18 WeakPolarHBondContact O-CB 3.45Å; P14-T18 PolarHBondContact O-N 3.07Å; P14-T18 PolarHBondContact O-OG1 3.46Å; E15-T18 PolarHBondContact O-N 2.8Å; I16-T18 VanDerWaalsContact C-N 3.35Å; T18-L20 PolarHBondContact O-N 3.19Å; T18-A21 WeakPolarHBondContact O-CB 3.21Å; T18-A21 PolarHBondContact O-N 2.85Å; T18-A21 VanDerWaalsContact O-N 3.13Å; T18-D22 PolarHBondContact O-N 3.46Å; T18-Y37 HydrophobicContact CG2-CE1 4.49Å
19N94Very high84.5Confident109 Ų10977.1 Ų77.158%0.58339%0.391SS*.Hα-helixtrans-62.4-40.7177.1-68.8-20.8000112.5E15 I16 A21 D22 Y23E15-N19 VanDerWaalsContact O-CG 3.31Å; E15-N19 PolarHBondContact O-N 3.21Å; E15-N19 PolarHBondContact O-ND2 2.89Å; I16-N19 PolarHBondContact O-N 3.39Å; N19-A21 VanDerWaalsContact C-N 3.34Å; N19-D22 PolarHBondContact O-N 3.21Å; N19-Y23 PolarHBondContact O-N 2.99Å
20L94.1Very high86.4Confident45 Ų4577.4 Ų77.424%0.23639%0.393CS..Hα-helixtrans-63.7-41173.8-75.7169.9000111.6L9 I16 Y17 T18 D22 Y23 F24 F36L9-L20 HydrophobicContact CD2-CD1 3.53Å; I16-L20 HydrophobicContact CG2-CD1 4.06Å; I16-L20 WeakPolarHBondContact O-CB 3.5Å; I16-L20 WeakPolarHBondContact O-CG 3.32Å; I16-L20 PolarHBondContact O-N 3.23Å; Y17-L20 HydrophobicContact CD1-CD1 4.45Å; Y17-L20 PolarHBondContact O-N 3.17Å; T18-L20 PolarHBondContact O-N 3.19Å; L20-D22 VanDerWaalsContact C-N 3.35Å; L20-Y23 PolarHBondContact O-N 3.4Å; L20-F24 WeakPolarHBondContact O-CD2 3.37Å; L20-F24 PolarHBondContact O-N 3.13Å; L20-F36 HydrophobicContact CB-CB 4.35Å; L20-F36 HydrophobicContact CB-CD1 4.06Å; L20-F36 HydrophobicContact CB-CD2 4.33Å; L20-F36 HydrophobicContact CB-CE1 4.43Å; L20-F36 HydrophobicContact CB-CG 3.99Å; L20-F36 HydrophobicContact CD1-CD1 4.05Å; L20-F36 HydrophobicContact CD1-CE1 3.84Å; L20-F36 HydrophobicContact CD1-CZ 4.43Å
21A94.3Very high88.4Confident0 Ų071 Ų710%037%0.366CS..Hα-helixtrans-62.6-43.217700000111.5Y17 T18 N19 F24 R25 F36 Y37Y17-A21 WeakPolarHBondContact O-CB 3.23Å; Y17-A21 PolarHBondContact O-N 3.13Å; T18-A21 WeakPolarHBondContact O-CB 3.21Å; T18-A21 PolarHBondContact O-N 2.85Å; T18-A21 VanDerWaalsContact O-N 3.13Å; N19-A21 VanDerWaalsContact C-N 3.34Å; A21-F24 PolarHBondContact O-N 3.35Å; A21-R25 VanDerWaalsContact O-CB 3.28Å; A21-R25 WeakPolarHBondContact O-CB 3.18Å; A21-R25 PolarHBondContact O-N 3.42Å; A21-F36 HydrophobicContact CB-CB 3.75Å; A21-Y37 HydrophobicContact CB-CD1 3.54Å; A21-Y37 HydrophobicContact CB-CD2 3.78Å; A21-Y37 HydrophobicContact CB-CE1 3.54Å; A21-Y37 HydrophobicContact CB-CE2 3.8Å; A21-Y37 HydrophobicContact CB-CG 3.64Å
22D94Very high90Very high41 Ų4165.1 Ų65.122%0.21934%0.34CS..Hα-helixtrans-63.6-41.5176.5-71.9-27.7000112T18 N19 L20 R25 E26 Y37T18-D22 PolarHBondContact O-N 3.46Å; N19-D22 PolarHBondContact O-N 3.21Å; L20-D22 VanDerWaalsContact C-N 3.35Å; D22-R25 WeakPolarHBondContact O-CB 3.4Å; D22-R25 PolarHBondContact O-N 2.91Å; D22-R25 IonicContact OD1-CZ 3.25Å; D22-R25 VanDerWaalsContact OD1-CZ 3.25Å; D22-R25 IonicContact OD1-NE 3.89Å; D22-R25 IonicContact OD1-NH1 3.09Å; D22-R25 PolarHBondContact OD1-NH1 3.09Å; D22-R25 VanDerWaalsContact OD1-NH1 3.09Å; D22-R25 IonicContact OD1-NH2 3.44Å; D22-R25 PolarHBondContact OD1-NH2 2.9Å; D22-E26 WeakPolarHBondContact O-CG 3.37Å; D22-E26 PolarHBondContact O-N 3.32Å; D22-Y37 PolarHBondContact OD1-OH 3.29Å
23Y95Very high91.6Very high123 Ų12364.3 Ų64.348%0.48233%0.332SS..Hα-helixtrans-59.8-48.8173.4174.4-100.6000112.2N19 L20 R25 E26 E27N19-Y23 PolarHBondContact O-N 2.99Å; L20-Y23 PolarHBondContact O-N 3.4Å; Y23-R25 VanDerWaalsContact C-N 3.27Å; Y23-R25 PolarHBondContact O-N 3.15Å; Y23-E26 PolarHBondContact O-N 3.44Å; Y23-E27 HydrophobicContact CE1-CG 4.25Å; Y23-E27 WeakPolarHBondContact O-CG 3.27Å; Y23-E27 PolarHBondContact O-N 3.09Å; Y23-E27 VanDerWaalsContact O-N 3.14Å
24F94.1Very high92.3Very high37 Ų3762.1 Ų62.116%0.16232%0.316CS..Hα-helixtrans-69.5-26178.6-75.3-61.7000113.3L20 A21 G28 K29 L32 A33 F36L20-F24 WeakPolarHBondContact O-CD2 3.37Å; L20-F24 PolarHBondContact O-N 3.13Å; A21-F24 PolarHBondContact O-N 3.35Å; F24-G28 PolarHBondContact O-N 3.17Å; F24-K29 HydrophobicContact CB-CB 4.47Å; F24-K29 HydrophobicContact CD1-CB 4.34Å; F24-K29 HydrophobicContact CD1-CD 4.04Å; F24-K29 HydrophobicContact CE1-CD 4.47Å; F24-K29 PolarHBondContact O-N 3.2Å; F24-L32 HydrophobicContact CB-CB 4.03Å; F24-L32 HydrophobicContact CD1-CB 3.97Å; F24-L32 HydrophobicContact CD1-CD1 3.73Å; F24-L32 HydrophobicContact CD2-CB 4.18Å; F24-L32 HydrophobicContact CE1-CD1 3.66Å; F24-L32 HydrophobicContact CG-CB 3.78Å; F24-L32 HydrophobicContact CG-CD1 4.37Å; F24-L32 HydrophobicContact CZ-CD1 4.28Å; F24-A33 HydrophobicContact CB-CB 4.22Å; F24-F36 AromaticContact CD2-CD2 3.45Å; F24-F36 HydrophobicContact CD2-CD2 3.45Å; F24-F36 VanDerWaalsContact CD2-CD2 3.45Å; F24-F36 AromaticContact CD2-CE2 3.47Å; F24-F36 HydrophobicContact CD2-CE2 3.47Å; F24-F36 VanDerWaalsContact CD2-CE2 3.47Å; F24-F36 AromaticContact CE2-CD2 3.69Å; F24-F36 HydrophobicContact CE2-CD2 3.69Å; F24-F36 AromaticContact CE2-CE2 3.18Å; F24-F36 HydrophobicContact CE2-CE2 3.18Å; F24-F36 AromaticContact CE2-CZ 3.99Å; F24-F36 HydrophobicContact CE2-CZ 3.99Å; F24-F36 HydrophobicContact CZ-CE2 4.16Å
25R92.1Very high92.6Very high97 Ų9762.8 Ų62.837%0.36631%0.312SS..Hα-helixtrans-65.6-46.8171.7174.1-170.372.7-171.81.3110.9A21 D22 Y23 E27 G28 A33 Y37 Y49A21-R25 VanDerWaalsContact O-CB 3.28Å; A21-R25 WeakPolarHBondContact O-CB 3.18Å; A21-R25 PolarHBondContact O-N 3.42Å; D22-R25 WeakPolarHBondContact O-CB 3.4Å; D22-R25 PolarHBondContact O-N 2.91Å; D22-R25 IonicContact OD1-CZ 3.25Å; D22-R25 VanDerWaalsContact OD1-CZ 3.25Å; D22-R25 IonicContact OD1-NE 3.89Å; D22-R25 IonicContact OD1-NH1 3.09Å; D22-R25 PolarHBondContact OD1-NH1 3.09Å; D22-R25 VanDerWaalsContact OD1-NH1 3.09Å; D22-R25 IonicContact OD1-NH2 3.44Å; D22-R25 PolarHBondContact OD1-NH2 2.9Å; Y23-R25 VanDerWaalsContact C-N 3.27Å; Y23-R25 PolarHBondContact O-N 3.15Å; R25-E27 VanDerWaalsContact C-N 3.25Å; R25-E27 PolarHBondContact O-N 3.41Å; R25-G28 PolarHBondContact O-N 2.61Å; R25-A33 HydrophobicContact CB-CB 4.18Å; R25-Y37 PolarHBondContact NH1-OH 2.93Å; R25-Y49 WeakPolarHBondContact CD-OH 3.41Å; R25-Y49 HydrophobicContact CG-CE1 4.12Å; R25-Y49 VanDerWaalsContact CG-OH 3.27Å; R25-Y49 WeakPolarHBondContact CG-OH 3.25Å
26E92.6Very high92.9Very high150 Ų15057.8 Ų57.870%0.70129%0.289SS*.Hα-helixtrans-63-34.2177.8-72.4177.7-17800112.1D22 Y23 G28D22-E26 WeakPolarHBondContact O-CG 3.37Å; D22-E26 PolarHBondContact O-N 3.32Å; Y23-E26 PolarHBondContact O-N 3.44Å; E26-G28 PolarHBondContact O-N 3.11Å
27E92.1Very high93.1Very high95 Ų9554.5 Ų54.544%0.44427%0.271SS..THydrogen-bonded Turntrans-71.3-4.7172.1-71.8-80.7128.100114.1Y23 R25 K29Y23-E27 HydrophobicContact CE1-CG 4.25Å; Y23-E27 WeakPolarHBondContact O-CG 3.27Å; Y23-E27 PolarHBondContact O-N 3.09Å; Y23-E27 VanDerWaalsContact O-N 3.14Å; R25-E27 VanDerWaalsContact C-N 3.25Å; R25-E27 PolarHBondContact O-N 3.41Å; E27-K29 HydrophobicContact CB-CD 4.14Å; E27-K29 HydrophobicContact CB-CG 4.16Å; E27-K29 PolarHBondContact O-N 3.21Å; E27-K29 IonicContact OE2-NZ 2.78Å; E27-K29 PolarHBondContact OE2-NZ 3.49Å
28G89.4Confident93.1Very high49 Ų4954.8 Ų54.851%0.50527%0.273SS..THydrogen-bonded Turntrans71.411.2-176.500000114.6F24 R25 E26 N30F24-G28 PolarHBondContact O-N 3.17Å; R25-G28 PolarHBondContact O-N 2.61Å; E26-G28 PolarHBondContact O-N 3.11Å; G28-N30 VanDerWaalsContact C-N 3.34Å; G28-N30 PolarHBondContact O-N 3.42Å
29K91.2Very high93.1Very high91 Ų9156 Ų5640%0.39627%0.274SS..  trans-86.870.8-176.8-66.1174.5-174.5141.10110.8F24 E27 G31 L32 A33F24-K29 HydrophobicContact CB-CB 4.47Å; F24-K29 HydrophobicContact CD1-CB 4.34Å; F24-K29 HydrophobicContact CD1-CD 4.04Å; F24-K29 HydrophobicContact CE1-CD 4.47Å; F24-K29 PolarHBondContact O-N 3.2Å; E27-K29 HydrophobicContact CB-CD 4.14Å; E27-K29 HydrophobicContact CB-CG 4.16Å; E27-K29 PolarHBondContact O-N 3.21Å; E27-K29 IonicContact OE2-NZ 2.78Å; E27-K29 PolarHBondContact OE2-NZ 3.49Å; K29-G31 PolarHBondContact O-N 3.37Å; K29-L32 HydrophobicContact CB-CB 4.29Å; K29-L32 HydrophobicContact CB-CD1 4.27Å; K29-L32 HydrophobicContact CD-CD1 4.1Å; K29-L32 PolarHBondContact O-N 2.9Å; K29-A33 PolarHBondContact O-N 2.82Å
30N90.6Very high93Very high57 Ų5751.7 Ų51.731%0.30525%0.254SS..Hα-helixtrans-49.5-46.6-174.1-67.1-32.4000114.4G28 L32 A33 G34 Y49 N53G28-N30 VanDerWaalsContact C-N 3.34Å; G28-N30 PolarHBondContact O-N 3.42Å; N30-L32 VanDerWaalsContact C-N 3.32Å; N30-L32 PolarHBondContact O-N 3.17Å; N30-A33 PolarHBondContact O-N 2.67Å; N30-G34 PolarHBondContact O-N 3.06Å; N30-Y49 HydrophobicContact CB-CD1 4.24Å; N30-N53 HydrophobicContact CB-CB 4.22Å
31G90.6Very high92.8Very high11 Ų1151.3 Ų51.311%0.11326%0.261CS..Hα-helixtrans-61.9-37.4179.800000113.5K29 K35K29-G31 PolarHBondContact O-N 3.37Å; G31-K35 WeakPolarHBondContact O-CB 3.01Å; G31-K35 PolarHBondContact O-N 3.2Å; G31-K35 VanDerWaalsContact O-N 3.11Å
32L92.5Very high92.7Very high67 Ų6754.4 Ų54.435%0.35128%0.277SS..Hα-helixtrans-74.9-42.6176.1-69176.9000111.5F24 K29 N30 G34 K35 F36F24-L32 HydrophobicContact CB-CB 4.03Å; F24-L32 HydrophobicContact CD1-CB 3.97Å; F24-L32 HydrophobicContact CD1-CD1 3.73Å; F24-L32 HydrophobicContact CD2-CB 4.18Å; F24-L32 HydrophobicContact CE1-CD1 3.66Å; F24-L32 HydrophobicContact CG-CB 3.78Å; F24-L32 HydrophobicContact CG-CD1 4.37Å; F24-L32 HydrophobicContact CZ-CD1 4.28Å; K29-L32 HydrophobicContact CB-CB 4.29Å; K29-L32 HydrophobicContact CB-CD1 4.27Å; K29-L32 HydrophobicContact CD-CD1 4.1Å; K29-L32 PolarHBondContact O-N 2.9Å; N30-L32 VanDerWaalsContact C-N 3.32Å; N30-L32 PolarHBondContact O-N 3.17Å; L32-G34 VanDerWaalsContact C-N 3.32Å; L32-G34 PolarHBondContact O-N 3.44Å; L32-K35 WeakPolarHBondContact O-CB 3.02Å; L32-K35 PolarHBondContact O-N 2.9Å; L32-F36 WeakPolarHBondContact O-CD2 3.23Å; L32-F36 PolarHBondContact O-N 3.15Å
33A94.4Very high92.6Very high0 Ų056.7 Ų56.70%028%0.284CS..Hα-helixtrans-55.3-50175.100000110.8F24 R25 K29 N30 K35 F36 Y37 Y49F24-A33 HydrophobicContact CB-CB 4.22Å; R25-A33 HydrophobicContact CB-CB 4.18Å; K29-A33 PolarHBondContact O-N 2.82Å; N30-A33 PolarHBondContact O-N 2.67Å; A33-K35 PolarHBondContact O-N 3.19Å; A33-F36 PolarHBondContact O-N 3.26Å; A33-Y37 VanDerWaalsContact O-CD2 3.26Å; A33-Y37 WeakPolarHBondContact O-CD2 3.5Å; A33-Y37 PolarHBondContact O-N 3.21Å; A33-Y49 HydrophobicContact CB-CD1 4.22Å; A33-Y49 HydrophobicContact CB-CG 4.32Å
34G94.7Very high92.5Very high0 Ų053.3 Ų53.30%028%0.281CS..Hα-helixtrans-60.5-40.3176.600000113.6N30 L32 F36 Y37 L38 A46N30-G34 PolarHBondContact O-N 3.06Å; L32-G34 VanDerWaalsContact C-N 3.32Å; L32-G34 PolarHBondContact O-N 3.44Å; G34-F36 VanDerWaalsContact C-N 3.34Å; G34-F36 PolarHBondContact O-N 3.36Å; G34-Y37 PolarHBondContact O-N 3.22Å; G34-L38 WeakPolarHBondContact O-CB 3.5Å; G34-L38 PolarHBondContact O-N 3.39Å; G34-A46 WeakPolarHBondContact O-CB 3.47Å
35K93.5Very high92.5Very high84 Ų8453.6 Ų53.637%0.36529%0.285SS..Hα-helixtrans-58.1-44.2174.7-178.2-177.2175.7-178.80112.3G31 L32 A33 L38 K39 L62G31-K35 WeakPolarHBondContact O-CB 3.01Å; G31-K35 PolarHBondContact O-N 3.2Å; G31-K35 VanDerWaalsContact O-N 3.11Å; L32-K35 WeakPolarHBondContact O-CB 3.02Å; L32-K35 PolarHBondContact O-N 2.9Å; A33-K35 PolarHBondContact O-N 3.19Å; K35-L38 PolarHBondContact O-N 2.91Å; K35-K39 PolarHBondContact O-N 3.35Å; K35-L62 HydrophobicContact CB-CD1 3.74Å; K35-L62 HydrophobicContact CD-CD1 4.32Å; K35-L62 HydrophobicContact CG-CD1 3.89Å
36F94.7Very high92.6Very high18 Ų1849 Ų498%0.07927%0.268CS..Hα-helixtrans-77.6-36.1-178.3-73.6-69.3000112.5Y17 L20 A21 F24 L32 A33 G34 L38 K39 A40Y17-F36 AromaticContact CD1-CD1 3.92Å; Y17-F36 HydrophobicContact CD1-CD1 3.92Å; Y17-F36 HydrophobicContact CD1-CE1 4.44Å; L20-F36 HydrophobicContact CB-CB 4.35Å; L20-F36 HydrophobicContact CB-CD1 4.06Å; L20-F36 HydrophobicContact CB-CD2 4.33Å; L20-F36 HydrophobicContact CB-CE1 4.43Å; L20-F36 HydrophobicContact CB-CG 3.99Å; L20-F36 HydrophobicContact CD1-CD1 4.05Å; L20-F36 HydrophobicContact CD1-CE1 3.84Å; L20-F36 HydrophobicContact CD1-CZ 4.43Å; A21-F36 HydrophobicContact CB-CB 3.75Å; F24-F36 AromaticContact CD2-CD2 3.45Å; F24-F36 HydrophobicContact CD2-CD2 3.45Å; F24-F36 VanDerWaalsContact CD2-CD2 3.45Å; F24-F36 AromaticContact CD2-CE2 3.47Å; F24-F36 HydrophobicContact CD2-CE2 3.47Å; F24-F36 VanDerWaalsContact CD2-CE2 3.47Å; F24-F36 AromaticContact CE2-CD2 3.69Å; F24-F36 HydrophobicContact CE2-CD2 3.69Å; F24-F36 AromaticContact CE2-CE2 3.18Å; F24-F36 HydrophobicContact CE2-CE2 3.18Å; F24-F36 AromaticContact CE2-CZ 3.99Å; F24-F36 HydrophobicContact CE2-CZ 3.99Å; F24-F36 HydrophobicContact CZ-CE2 4.16Å; L32-F36 WeakPolarHBondContact O-CD2 3.23Å; L32-F36 PolarHBondContact O-N 3.15Å; A33-F36 PolarHBondContact O-N 3.26Å; G34-F36 VanDerWaalsContact C-N 3.34Å; G34-F36 PolarHBondContact O-N 3.36Å; F36-L38 PolarHBondContact O-N 3.45Å; F36-K39 HydrophobicContact CD1-CD 4.4Å; F36-K39 PolarHBondContact O-N 3.43Å; F36-K39 VanDerWaalsContact O-N 3.15Å; F36-A40 PolarHBondContact O-N 2.95Å
37Y96Very high92.6Very high12 Ų1242.2 Ų42.25%0.04724%0.237CC..Hα-helixtrans-59.5-37.3169.1-75.6-53.6000112T18 A21 D22 R25 A33 G34 A40 G41 N42 Y49T18-Y37 HydrophobicContact CG2-CE1 4.49Å; A21-Y37 HydrophobicContact CB-CD1 3.54Å; A21-Y37 HydrophobicContact CB-CD2 3.78Å; A21-Y37 HydrophobicContact CB-CE1 3.54Å; A21-Y37 HydrophobicContact CB-CE2 3.8Å; A21-Y37 HydrophobicContact CB-CG 3.64Å; D22-Y37 PolarHBondContact OD1-OH 3.29Å; R25-Y37 PolarHBondContact NH1-OH 2.93Å; A33-Y37 VanDerWaalsContact O-CD2 3.26Å; A33-Y37 WeakPolarHBondContact O-CD2 3.5Å; A33-Y37 PolarHBondContact O-N 3.21Å; G34-Y37 PolarHBondContact O-N 3.22Å; Y37-A40 WeakPolarHBondContact O-CB 2.99Å; Y37-A40 PolarHBondContact O-N 2.87Å; Y37-G41 PolarHBondContact O-N 3.41Å; Y37-N42 HydrophobicContact CD1-CB 4.42Å; Y37-N42 PolarHBondContact O-N 3.41Å; Y37-Y49 AromaticContact CD2-CD2 3.72Å; Y37-Y49 HydrophobicContact CD2-CD2 3.72Å; Y37-Y49 HydrophobicContact CD2-CE2 4.06Å; Y37-Y49 AromaticContact CE2-CD2 3.63Å; Y37-Y49 HydrophobicContact CE2-CD2 3.63Å; Y37-Y49 AromaticContact CE2-CE2 3.46Å; Y37-Y49 HydrophobicContact CE2-CE2 3.46Å; Y37-Y49 VanDerWaalsContact CE2-CE2 3.46Å
38L92.5Very high92.6Very high18 Ų1842.1 Ų42.19%0.09424%0.239CC..Hα-helixtrans-63.2-43.3174.9179.960.2000111.5G34 K35 F36 A40 G41 Y43 A46 L62 Q65 C66G34-L38 WeakPolarHBondContact O-CB 3.5Å; G34-L38 PolarHBondContact O-N 3.39Å; K35-L38 PolarHBondContact O-N 2.91Å; F36-L38 PolarHBondContact O-N 3.45Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 2.98Å; L38-G41 PolarHBondContact O-N 3.49Å; L38-Y43 HydrophobicContact CD1-CD1 3.66Å; L38-Y43 HydrophobicContact CD1-CE1 3.72Å; L38-A46 HydrophobicContact CB-CB 3.96Å; L38-L62 HydrophobicContact CD2-CD2 4.19Å; L38-Q65 HydrophobicContact CD2-CG 4.38Å; L38-C66 HydrophobicContact CD1-CB 3.91Å; L38-C66 HydrophobicContact CD2-CB 4.46Å
39K92Very high92.8Very high72 Ų7241.9 Ų41.931%0.31322%0.223SC..Hα-helixtrans-64.2-32174.3-74.5-169.1164.4-161.40112.8L9 Y17 K35 F36 G41L9-K39 PolarHBondContact O-NZ 3.48Å; Y17-K39 HydrophobicContact CD1-CB 3.94Å; Y17-K39 HydrophobicContact CD1-CD 4.08Å; Y17-K39 HydrophobicContact CD2-CB 3.77Å; Y17-K39 WeakPolarHBondContact CD2-O 3.37Å; Y17-K39 HydrophobicContact CE1-CB 4.16Å; Y17-K39 HydrophobicContact CE1-CD 3.69Å; Y17-K39 HydrophobicContact CE2-CB 3.99Å; Y17-K39 HydrophobicContact CG-CB 3.73Å; K35-K39 PolarHBondContact O-N 3.35Å; F36-K39 HydrophobicContact CD1-CD 4.4Å; F36-K39 PolarHBondContact O-N 3.43Å; F36-K39 VanDerWaalsContact O-N 3.15Å; K39-G41 PolarHBondContact O-N 2.96Å
40A91.9Very high92.8Very high19 Ų1937.5 Ų37.516%0.15720%0.204CC..THydrogen-bonded Turntrans-72.9-7.7173.200000113.6F36 Y37 L38 N42F36-A40 PolarHBondContact O-N 2.95Å; Y37-A40 WeakPolarHBondContact O-CB 2.99Å; Y37-A40 PolarHBondContact O-N 2.87Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 2.98Å; A40-N42 VanDerWaalsContact C-N 3.27Å; A40-N42 PolarHBondContact O-N 3.49Å
41G90.4Very high92.7Very high36 Ų3636 Ų3637%0.37120%0.197SC..THydrogen-bonded Turntrans787.6-174.600000114.3Y37 L38 K39 Y43Y37-G41 PolarHBondContact O-N 3.41Å; L38-G41 PolarHBondContact O-N 3.49Å; K39-G41 PolarHBondContact O-N 2.96Å; G41-Y43 VanDerWaalsContact C-N 3.33Å; G41-Y43 VanDerWaalsContact O-CD2 3.29Å; G41-Y43 WeakPolarHBondContact O-CD2 3.29Å; G41-Y43 WeakPolarHBondContact O-CE2 3.44Å; G41-Y43 PolarHBondContact O-N 2.99Å; G41-Y43 VanDerWaalsContact O-N 3.07Å
42N92.7Very high92.4Very high66 Ų6642.6 Ų42.635%0.35322%0.222SC..  trans-8675.6177.9-163.5-12000110.3Y37 A40 A44 T45 A46Y37-N42 HydrophobicContact CD1-CB 4.42Å; Y37-N42 PolarHBondContact O-N 3.41Å; A40-N42 VanDerWaalsContact C-N 3.27Å; A40-N42 PolarHBondContact O-N 3.49Å; N42-A44 PolarHBondContact O-N 3.3Å; N42-T45 PolarHBondContact ND2-OG1 3.49Å; N42-T45 PolarHBondContact O-OG1 3.29Å; N42-T45 PolarHBondContact OD1-OG1 2.87Å; N42-A46 WeakPolarHBondContact O-CB 3.06Å; N42-A46 PolarHBondContact O-N 2.89Å
43Y92.4Very high92Very high89 Ų8941.6 Ų41.635%0.34922%0.218SC..Hα-helixtrans-61.7-39.5-171.3-60.1-69.8000113.7L38 G41 A46 F47 C66L38-Y43 HydrophobicContact CD1-CD1 3.66Å; L38-Y43 HydrophobicContact CD1-CE1 3.72Å; G41-Y43 VanDerWaalsContact C-N 3.33Å; G41-Y43 VanDerWaalsContact O-CD2 3.29Å; G41-Y43 WeakPolarHBondContact O-CD2 3.29Å; G41-Y43 WeakPolarHBondContact O-CE2 3.44Å; G41-Y43 PolarHBondContact O-N 2.99Å; G41-Y43 VanDerWaalsContact O-N 3.07Å; Y43-A46 PolarHBondContact O-N 3.32Å; Y43-F47 VanDerWaalsContact O-CB 3.23Å; Y43-F47 WeakPolarHBondContact O-CB 3.46Å; Y43-F47 PolarHBondContact O-N 2.95Å; Y43-C66 PolarHBondContact O-SG 3.47Å
44A92.9Very high91.1Very high51 Ų5141.7 Ų41.742%0.42122%0.218SC..Hα-helixtrans-64.2-51.3-177.100000111.9N42 F47 D48 M75N42-A44 PolarHBondContact O-N 3.3Å; A44-F47 PolarHBondContact O-N 2.87Å; A44-D48 PolarHBondContact O-N 3.35Å; A44-D48 VanDerWaalsContact O-N 3.15Å; A44-M75 VanDerWaalsContact CA-CE 3.46Å; A44-M75 HydrophobicContact CB-CE 3.83Å
45T93.3Very high90.4Very high43 Ų4345.3 Ų45.326%0.26424%0.241SC..Hα-helixtrans-67.3-40.3177.660.20000111.3N42 F47 D48 Y49N42-T45 PolarHBondContact ND2-OG1 3.49Å; N42-T45 PolarHBondContact O-OG1 3.29Å; N42-T45 PolarHBondContact OD1-OG1 2.87Å; T45-F47 VanDerWaalsContact C-N 3.31Å; T45-F47 PolarHBondContact O-N 3.39Å; T45-D48 PolarHBondContact O-N 2.91Å; T45-Y49 VanDerWaalsContact O-CD2 3.23Å; T45-Y49 WeakPolarHBondContact O-CD2 3.32Å; T45-Y49 PolarHBondContact O-N 3.18Å; T45-Y49 VanDerWaalsContact O-N 3.16Å
46A94.1Very high89.8Confident0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-55.6-48.5175.400000111.3G34 L38 N42 Y43 D48 Y49 L50G34-A46 WeakPolarHBondContact O-CB 3.47Å; L38-A46 HydrophobicContact CB-CB 3.96Å; N42-A46 WeakPolarHBondContact O-CB 3.06Å; N42-A46 PolarHBondContact O-N 2.89Å; Y43-A46 PolarHBondContact O-N 3.32Å; A46-D48 PolarHBondContact O-N 3.35Å; A46-Y49 PolarHBondContact O-N 2.96Å; A46-L50 HydrophobicContact CB-CD1 4.41Å; A46-L50 WeakPolarHBondContact O-CB 3.45Å; A46-L50 WeakPolarHBondContact O-CD1 3.5Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 3Å
47F93Very high89Confident9 Ų947.6 Ų47.64%0.03926%0.263CS..Hα-helixtrans-59.4-46.8-180-173.2-100.2000111.8Y43 A44 T45 Y49 L50 V51 A67 M75 V78 L79Y43-F47 VanDerWaalsContact O-CB 3.23Å; Y43-F47 WeakPolarHBondContact O-CB 3.46Å; Y43-F47 PolarHBondContact O-N 2.95Å; A44-F47 PolarHBondContact O-N 2.87Å; T45-F47 VanDerWaalsContact C-N 3.31Å; T45-F47 PolarHBondContact O-N 3.39Å; F47-Y49 VanDerWaalsContact C-N 3.33Å; F47-Y49 PolarHBondContact O-N 3.33Å; F47-L50 PolarHBondContact O-N 3.16Å; F47-V51 HydrophobicContact CD1-CG2 3.97Å; F47-V51 HydrophobicContact CD2-CG2 4.06Å; F47-V51 HydrophobicContact CE1-CG2 3.59Å; F47-V51 HydrophobicContact CE2-CG2 3.68Å; F47-V51 HydrophobicContact CG-CG2 4.2Å; F47-V51 HydrophobicContact CZ-CG2 3.42Å; F47-V51 VanDerWaalsContact CZ-CG2 3.42Å; F47-V51 WeakPolarHBondContact O-CB 3.36Å; F47-V51 WeakPolarHBondContact O-CG2 3.48Å; F47-V51 PolarHBondContact O-N 3.42Å; F47-A67 HydrophobicContact CD2-CB 4.47Å; F47-A67 HydrophobicContact CE2-CB 4.13Å; F47-M75 HydrophobicContact CB-SD 4.09Å; F47-M75 HydrophobicContact CD1-CB 4.35Å; F47-M75 HydrophobicContact CD1-CG 4.13Å; F47-M75 HydrophobicContact CD2-CB 4.2Å; F47-M75 HydrophobicContact CD2-CG 4.49Å; F47-M75 HydrophobicContact CE1-CB 4.24Å; F47-M75 HydrophobicContact CE1-CG 4.43Å; F47-M75 HydrophobicContact CE2-CB 4.11Å; F47-M75 HydrophobicContact CG-CB 4.32Å; F47-M75 HydrophobicContact CG-CG 4.15Å; F47-M75 HydrophobicContact CG-SD 4.2Å; F47-M75 HydrophobicContact CZ-CB 4.13Å; F47-M75 WeakPolarHBondContact CZ-O 3.06Å; F47-V78 HydrophobicContact CE1-CB 4.01Å; F47-V78 HydrophobicContact CE1-CG1 3.76Å; F47-V78 HydrophobicContact CZ-CB 4.12Å; F47-V78 HydrophobicContact CZ-CG1 4.04Å; F47-L79 HydrophobicContact CE2-CB 4.01Å; F47-L79 HydrophobicContact CE2-CD1 4.42Å; F47-L79 HydrophobicContact CE2-CD2 4.37Å; F47-L79 HydrophobicContact CZ-CB 3.94Å
48D92Very high88.4Confident93 Ų9350.6 Ų50.650%0.49729%0.285SS..Hα-helixtrans-57.8-43.4178.5-75.9-9.5000112.8A44 T45 A46 K52A44-D48 PolarHBondContact O-N 3.35Å; A44-D48 VanDerWaalsContact O-N 3.15Å; T45-D48 PolarHBondContact O-N 2.91Å; A46-D48 PolarHBondContact O-N 3.35Å; D48-K52 WeakPolarHBondContact O-CB 3.09Å; D48-K52 WeakPolarHBondContact O-CD 3.38Å; D48-K52 WeakPolarHBondContact O-CG 3.36Å; D48-K52 PolarHBondContact O-N 2.86Å
49Y93Very high88.1Confident43 Ų4349.9 Ų49.917%0.16928%0.282CS..Hα-helixtrans-70.4-38.2177.7-81.4-73.3000112.8R25 N30 A33 Y37 T45 A46 F47 N53R25-Y49 WeakPolarHBondContact CD-OH 3.41Å; R25-Y49 HydrophobicContact CG-CE1 4.12Å; R25-Y49 VanDerWaalsContact CG-OH 3.27Å; R25-Y49 WeakPolarHBondContact CG-OH 3.25Å; N30-Y49 HydrophobicContact CB-CD1 4.24Å; A33-Y49 HydrophobicContact CB-CD1 4.22Å; A33-Y49 HydrophobicContact CB-CG 4.32Å; Y37-Y49 AromaticContact CD2-CD2 3.72Å; Y37-Y49 HydrophobicContact CD2-CD2 3.72Å; Y37-Y49 HydrophobicContact CD2-CE2 4.06Å; Y37-Y49 AromaticContact CE2-CD2 3.63Å; Y37-Y49 HydrophobicContact CE2-CD2 3.63Å; Y37-Y49 AromaticContact CE2-CE2 3.46Å; Y37-Y49 HydrophobicContact CE2-CE2 3.46Å; Y37-Y49 VanDerWaalsContact CE2-CE2 3.46Å; T45-Y49 VanDerWaalsContact O-CD2 3.23Å; T45-Y49 WeakPolarHBondContact O-CD2 3.32Å; T45-Y49 PolarHBondContact O-N 3.18Å; T45-Y49 VanDerWaalsContact O-N 3.16Å; A46-Y49 PolarHBondContact O-N 2.96Å; F47-Y49 VanDerWaalsContact C-N 3.33Å; F47-Y49 PolarHBondContact O-N 3.33Å; Y49-N53 PolarHBondContact O-N 3.38Å
50L91.4Very high87.8Confident0 Ų046.6 Ų46.60%027%0.268CS..Hα-helixtrans-72.5-40.7-177.8-67.8167.2000111.9A46 F47 N53 A54 L62 A63 C66A46-L50 HydrophobicContact CB-CD1 4.41Å; A46-L50 WeakPolarHBondContact O-CB 3.45Å; A46-L50 WeakPolarHBondContact O-CD1 3.5Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 3Å; F47-L50 PolarHBondContact O-N 3.16Å; L50-N53 CarbonylContact O-C 3.29Å; L50-N53 VanDerWaalsContact O-C 3.29Å; L50-N53 PolarHBondContact O-N 3.02Å; L50-N53 VanDerWaalsContact O-N 3.14Å; L50-A54 PolarHBondContact O-N 3.28Å; L50-L62 HydrophobicContact CD1-CB 3.8Å; L50-L62 HydrophobicContact CD2-CB 3.67Å; L50-L62 HydrophobicContact CD2-CD1 4.05Å; L50-L62 HydrophobicContact CG-CB 4.34Å; L50-A63 HydrophobicContact CB-CB 3.86Å; L50-C66 HydrophobicContact CD1-CB 4.27Å
51V87.9Confident87.3Confident26 Ų2652.8 Ų52.816%0.15829%0.291CS..Hα-helixtrans-66.7-38.8177173.80000111.3F47 N53 A54 A63 Y82F47-V51 HydrophobicContact CD1-CG2 3.97Å; F47-V51 HydrophobicContact CD2-CG2 4.06Å; F47-V51 HydrophobicContact CE1-CG2 3.59Å; F47-V51 HydrophobicContact CE2-CG2 3.68Å; F47-V51 HydrophobicContact CG-CG2 4.2Å; F47-V51 HydrophobicContact CZ-CG2 3.42Å; F47-V51 VanDerWaalsContact CZ-CG2 3.42Å; F47-V51 WeakPolarHBondContact O-CB 3.36Å; F47-V51 WeakPolarHBondContact O-CG2 3.48Å; F47-V51 PolarHBondContact O-N 3.42Å; V51-N53 PolarHBondContact O-N 3.28Å; V51-N53 VanDerWaalsContact O-N 3.14Å; V51-A54 WeakPolarHBondContact O-CB 3.49Å; V51-A54 PolarHBondContact O-N 2.98Å; V51-A63 HydrophobicContact CG2-CB 4.45Å; V51-Y82 HydrophobicContact CG1-CD2 4.41Å
52K86.1Confident87.1Confident148 Ų14852.8 Ų52.864%0.64328%0.282SS*.Hα-helixtrans-58.2-26.5172.7-76.7171.6-174.3173.10113.2D48D48-K52 WeakPolarHBondContact O-CB 3.09Å; D48-K52 WeakPolarHBondContact O-CD 3.38Å; D48-K52 WeakPolarHBondContact O-CG 3.36Å; D48-K52 PolarHBondContact O-N 2.86Å
53N83.1Confident86.9Confident47 Ų4749.6 Ų49.625%0.25127%0.265SS..THydrogen-bonded Turntrans-110.821.6177.5-159.443.3000112.9N30 Y49 L50 V51 T55 D56 S59N30-N53 HydrophobicContact CB-CB 4.22Å; Y49-N53 PolarHBondContact O-N 3.38Å; L50-N53 CarbonylContact O-C 3.29Å; L50-N53 VanDerWaalsContact O-C 3.29Å; L50-N53 PolarHBondContact O-N 3.02Å; L50-N53 VanDerWaalsContact O-N 3.14Å; V51-N53 PolarHBondContact O-N 3.28Å; V51-N53 VanDerWaalsContact O-N 3.14Å; N53-T55 PolarHBondContact O-N 3.29Å; N53-D56 WeakPolarHBondContact O-CB 3.36Å; N53-D56 PolarHBondContact O-N 3.28Å; N53-S59 PolarHBondContact ND2-OG 2.92Å; N53-S59 VanDerWaalsContact O-CB 3.26Å; N53-S59 WeakPolarHBondContact O-CB 3.36Å
54A76.6Confident86.3Confident1 Ų145.7 Ų45.71%0.00825%0.25CS..THydrogen-bonded Turntrans-69.5-3.6-173.600000114.6L50 V51 D56 L60 Y82L50-A54 PolarHBondContact O-N 3.28Å; V51-A54 WeakPolarHBondContact O-CB 3.49Å; V51-A54 PolarHBondContact O-N 2.98Å; A54-D56 VanDerWaalsContact C-N 3.25Å; A54-L60 HydrophobicContact CB-CD1 4.1Å; A54-Y82 HydrophobicContact CB-CD1 3.97Å; A54-Y82 HydrophobicContact CB-CE1 3.25Å; A54-Y82 HydrophobicContact CB-CE2 4.4Å
55T77.9Confident85.9Confident77 Ų7747.7 Ų47.747%0.47225%0.251SS..THydrogen-bonded Turntrans-65.6-29.7165.752.70000112.2N53 Y93N53-T55 PolarHBondContact O-N 3.29Å; T55-Y93 PolarHBondContact O-OH 3.33Å
56D81.9Confident85.5Confident55 Ų5545.7 Ų45.729%0.29424%0.239SC..SBendtrans-80.3122.7173.2167.855.9000110.5N53 A54 S58 S59 L60N53-D56 WeakPolarHBondContact O-CB 3.36Å; N53-D56 PolarHBondContact O-N 3.28Å; A54-D56 VanDerWaalsContact C-N 3.25Å; D56-S58 PolarHBondContact O-N 3.41Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 VanDerWaalsContact OD2-CB 3.26Å; D56-S58 WeakPolarHBondContact OD2-CB 3.1Å; D56-S58 PolarHBondContact OD2-N 2.97Å; D56-S59 PolarHBondContact O-N 3.39Å; D56-S59 VanDerWaalsContact O-N 3.16Å; D56-S59 WeakPolarHBondContact OD2-CB 3.23Å; D56-S59 PolarHBondContact OD2-N 3.14Å; D56-S59 PolarHBondContact OD2-OG 3.42Å; D56-L60 PolarHBondContact O-N 3.26Å
57P78.8Confident85.1Confident94 Ų9445.7 Ų45.761%0.6124%0.239SC*.Hα-helixtrans-56.3-31.9-179.9-26.734.8000114.1K61P57-K61 WeakPolarHBondContact O-CB 3.26Å; P57-K61 PolarHBondContact O-N 3.11Å
58S83Confident84.4Confident75 Ų7545.9 Ų45.952%0.52424%0.242SC..Hα-helixtrans-70.6-45.6179.8-46.90000111D56 L60 K61 L62D56-S58 PolarHBondContact O-N 3.41Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 VanDerWaalsContact OD2-CB 3.26Å; D56-S58 WeakPolarHBondContact OD2-CB 3.1Å; D56-S58 PolarHBondContact OD2-N 2.97Å; S58-L60 VanDerWaalsContact C-N 3.34Å; S58-K61 PolarHBondContact O-N 3.22Å; S58-L62 WeakPolarHBondContact O-CG 3.37Å; S58-L62 PolarHBondContact O-N 3.18Å
59S86.4Confident83.9Confident3 Ų343.8 Ų43.82%0.02123%0.234CC..Hα-helixtrans-64.1-40176.3-57.70000111.3N53 D56 L62 A63N53-S59 PolarHBondContact ND2-OG 2.92Å; N53-S59 VanDerWaalsContact O-CB 3.26Å; N53-S59 WeakPolarHBondContact O-CB 3.36Å; D56-S59 PolarHBondContact O-N 3.39Å; D56-S59 VanDerWaalsContact O-N 3.16Å; D56-S59 WeakPolarHBondContact OD2-CB 3.23Å; D56-S59 PolarHBondContact OD2-N 3.14Å; D56-S59 PolarHBondContact OD2-OG 3.42Å; S59-L62 PolarHBondContact O-N 3.06Å; S59-A63 PolarHBondContact O-N 2.87Å
60L84.2Confident83.4Confident4 Ų443 Ų432%0.02124%0.236CC..Hα-helixtrans-64.4-42.5175.1-176.354.7000112.5A54 D56 S58 L62 A63 L64 L79 L83 Y93 V96A54-L60 HydrophobicContact CB-CD1 4.1Å; D56-L60 PolarHBondContact O-N 3.26Å; S58-L60 VanDerWaalsContact C-N 3.34Å; L60-L62 VanDerWaalsContact C-N 3.29Å; L60-L62 PolarHBondContact O-N 3.47Å; L60-A63 WeakPolarHBondContact O-CB 3.47Å; L60-A63 PolarHBondContact O-N 3.02Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.1Å; L60-L64 PolarHBondContact O-N 2.76Å; L60-L79 HydrophobicContact CD1-CD1 4.07Å; L60-L83 HydrophobicContact CD1-CD2 3.89Å; L60-L83 HydrophobicContact CD2-CD2 4.11Å; L60-L83 HydrophobicContact CG-CD2 4.5Å; L60-Y93 HydrophobicContact CD2-CD1 4.04Å; L60-Y93 HydrophobicContact CD2-CD2 4.25Å; L60-Y93 HydrophobicContact CD2-CE1 4.34Å; L60-Y93 HydrophobicContact CD2-CG 4Å; L60-V96 HydrophobicContact CD1-CG1 4.34Å; L60-V96 HydrophobicContact CD2-CB 4.15Å; L60-V96 HydrophobicContact CD2-CG1 3.77Å; L60-V96 HydrophobicContact CD2-CG2 3.69Å; L60-V96 HydrophobicContact CG-CG1 3.89Å
61K82.5Confident82.7Confident149 Ų14949.1 Ų49.165%0.64826%0.262SS*.Hα-helixtrans-60-40.3173.6-175.2-179.5177.5-176.90111.9P57 S58 L64 Q65P57-K61 WeakPolarHBondContact O-CB 3.26Å; P57-K61 PolarHBondContact O-N 3.11Å; S58-K61 PolarHBondContact O-N 3.22Å; K61-L64 WeakPolarHBondContact O-CB 3.28Å; K61-L64 PolarHBondContact O-N 3.32Å; K61-Q65 PolarHBondContact O-N 3.43Å
62L86.8Confident82.4Confident35 Ų3550.9 Ų50.918%0.18327%0.271CS..Hα-helixtrans-69.6-36.6175.8-69.1172.4000111.9K35 L38 L50 S58 S59 L60 L64 Q65 C66K35-L62 HydrophobicContact CB-CD1 3.74Å; K35-L62 HydrophobicContact CD-CD1 4.32Å; K35-L62 HydrophobicContact CG-CD1 3.89Å; L38-L62 HydrophobicContact CD2-CD2 4.19Å; L50-L62 HydrophobicContact CD1-CB 3.8Å; L50-L62 HydrophobicContact CD2-CB 3.67Å; L50-L62 HydrophobicContact CD2-CD1 4.05Å; L50-L62 HydrophobicContact CG-CB 4.34Å; S58-L62 WeakPolarHBondContact O-CG 3.37Å; S58-L62 PolarHBondContact O-N 3.18Å; S59-L62 PolarHBondContact O-N 3.06Å; L60-L62 VanDerWaalsContact C-N 3.29Å; L60-L62 PolarHBondContact O-N 3.47Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.48Å; L62-Q65 PolarHBondContact O-N 3.07Å; L62-C66 VanDerWaalsContact O-CB 3.32Å; L62-C66 WeakPolarHBondContact O-CB 3.18Å; L62-C66 PolarHBondContact O-N 2.97Å
63A87Confident82.1Confident0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-61.6-42.1175.100000111.1L50 V51 S59 L60 C66 A67 L79L50-A63 HydrophobicContact CB-CB 3.86Å; V51-A63 HydrophobicContact CG2-CB 4.45Å; S59-A63 PolarHBondContact O-N 2.87Å; L60-A63 WeakPolarHBondContact O-CB 3.47Å; L60-A63 PolarHBondContact O-N 3.02Å; A63-C66 WeakPolarHBondContact O-CB 2.98Å; A63-C66 PolarHBondContact O-N 3.39Å; A63-A67 PolarHBondContact O-N 3.25Å; A63-L79 HydrophobicContact CB-CD1 4.08Å
64L81.5Confident82.2Confident6 Ų655.1 Ų55.13%0.03129%0.291CS..Hα-helixtrans-59.4-48.5173.2-68.4166.2000111.7L60 K61 L62 C66 A67 A68 L79 L83 V96 I99 Y100L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.1Å; L60-L64 PolarHBondContact O-N 2.76Å; K61-L64 WeakPolarHBondContact O-CB 3.28Å; K61-L64 PolarHBondContact O-N 3.32Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.48Å; L64-C66 VanDerWaalsContact C-N 3.3Å; L64-C66 PolarHBondContact O-N 3.25Å; L64-A67 PolarHBondContact O-N 2.78Å; L64-A68 VanDerWaalsContact O-CB 3.28Å; L64-A68 WeakPolarHBondContact O-CB 3.49Å; L64-A68 PolarHBondContact O-N 3.47Å; L64-L79 HydrophobicContact CB-CD2 4.42Å; L64-L79 HydrophobicContact CD2-CD2 3.61Å; L64-L79 HydrophobicContact CD2-CG 4.39Å; L64-L79 HydrophobicContact CG-CD2 4.09Å; L64-L83 HydrophobicContact CD2-CD1 4.16Å; L64-V96 HydrophobicContact CD1-CG1 3.55Å; L64-V96 HydrophobicContact CD2-CG1 4.22Å; L64-V96 HydrophobicContact CG-CG1 4.29Å; L64-I99 HydrophobicContact CD1-CG2 4.22Å; L64-Y100 HydrophobicContact CB-CD2 4.49Å; L64-Y100 VanDerWaalsContact CD2-CB 3.43Å; L64-Y100 HydrophobicContact CD2-CD2 3.22Å; L64-Y100 HydrophobicContact CD2-CE2 4.24Å; L64-Y100 HydrophobicContact CD2-CG 3.63Å; L64-Y100 HydrophobicContact CG-CD2 4.45Å
65Q82.6Confident82.6Confident94 Ų9456 Ų5644%0.43930%0.295SS..Hα-helixtrans-61.5-40.9177-176.6178.5-6.500111.3L38 K61 L62 A68 S69L38-Q65 HydrophobicContact CD2-CG 4.38Å; K61-Q65 PolarHBondContact O-N 3.43Å; L62-Q65 PolarHBondContact O-N 3.07Å; Q65-A68 PolarHBondContact O-N 3.48Å; Q65-S69 VanDerWaalsContact O-CB 3.23Å; Q65-S69 WeakPolarHBondContact O-CB 3.38Å; Q65-S69 PolarHBondContact O-N 3.45Å; Q65-S69 PolarHBondContact O-OG 2.8Å
66C86.6Confident82.7Confident0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-61-53.6177.5-171.70000111L38 Y43 L50 L62 A63 L64 A68 S69 S70L38-C66 HydrophobicContact CD1-CB 3.91Å; L38-C66 HydrophobicContact CD2-CB 4.46Å; Y43-C66 PolarHBondContact O-SG 3.47Å; L50-C66 HydrophobicContact CD1-CB 4.27Å; L62-C66 VanDerWaalsContact O-CB 3.32Å; L62-C66 WeakPolarHBondContact O-CB 3.18Å; L62-C66 PolarHBondContact O-N 2.97Å; A63-C66 WeakPolarHBondContact O-CB 2.98Å; A63-C66 PolarHBondContact O-N 3.39Å; L64-C66 VanDerWaalsContact C-N 3.3Å; L64-C66 PolarHBondContact O-N 3.25Å; C66-A68 VanDerWaalsContact C-N 3.33Å; C66-A68 PolarHBondContact O-N 2.8Å; C66-S69 PolarHBondContact O-N 3.28Å; C66-S69 VanDerWaalsContact O-N 3.17Å; C66-S70 WeakPolarHBondContact O-CB 3.2Å; C66-S70 PolarHBondContact O-N 3.25Å; C66-S70 PolarHBondContact O-OG 3.47Å
67A84.6Confident82.6Confident0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-63-37.3179.200000112.8F47 A63 L64 S70 K71 M75 I76 L79F47-A67 HydrophobicContact CD2-CB 4.47Å; F47-A67 HydrophobicContact CE2-CB 4.13Å; A63-A67 PolarHBondContact O-N 3.25Å; L64-A67 PolarHBondContact O-N 2.78Å; A67-S70 PolarHBondContact O-OG 3.49Å; A67-K71 PolarHBondContact O-N 2.99Å; A67-M75 HydrophobicContact CB-CB 4.32Å; A67-I76 HydrophobicContact CB-CG1 4.09Å; A67-L79 HydrophobicContact CB-CD2 3.95Å
68A77.8Confident82.8Confident13 Ų1351 Ų5111%0.10727%0.27CS..Hα-helixtrans-67.3-39175.400000112.2L64 Q65 C66 L107L64-A68 VanDerWaalsContact O-CB 3.28Å; L64-A68 WeakPolarHBondContact O-CB 3.49Å; L64-A68 PolarHBondContact O-N 3.47Å; Q65-A68 PolarHBondContact O-N 3.48Å; C66-A68 VanDerWaalsContact C-N 3.33Å; C66-A68 PolarHBondContact O-N 2.8Å; A68-L107 HydrophobicContact CB-CD1 3.7Å
69S81.8Confident82.7Confident49 Ų4947.5 Ų47.534%0.34325%0.245SC..Hα-helixtrans-77.2-38-178.1-55.70000112.4Q65 C66 K71Q65-S69 VanDerWaalsContact O-CB 3.23Å; Q65-S69 WeakPolarHBondContact O-CB 3.38Å; Q65-S69 PolarHBondContact O-N 3.45Å; Q65-S69 PolarHBondContact O-OG 2.8Å; C66-S69 PolarHBondContact O-N 3.28Å; C66-S69 VanDerWaalsContact O-N 3.17Å; S69-K71 PolarHBondContact O-N 3.06Å
70S83.7Confident82.1Confident28 Ų2849.4 Ų49.420%0.19626%0.255CS..Hα-helixtrans-67.4-26.2179.169.40000112.5C66 A67 D72 M75C66-S70 WeakPolarHBondContact O-CB 3.2Å; C66-S70 PolarHBondContact O-N 3.25Å; C66-S70 PolarHBondContact O-OG 3.47Å; A67-S70 PolarHBondContact O-OG 3.49Å; S70-D72 PolarHBondContact O-N 3.06Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 WeakPolarHBondContact OG-CB 3.49Å; S70-D72 PolarHBondContact OG-N 3.21Å; S70-M75 PolarHBondContact OG-SD 2.96Å; S70-M75 VanDerWaalsContact OG-SD 3.33Å
71K75.9Confident81.7Confident127 Ų12752.4 Ų52.455%0.55227%0.27SS*.  trans56.219.2-172.4-54.6175.9-176.1174.90112.8A67 S69A67-K71 PolarHBondContact O-N 2.99Å; S69-K71 PolarHBondContact O-N 3.06Å
72D82Confident81.3Confident64 Ų6446.5 Ų46.534%0.34224%0.244SC..  trans-84.2112.6-178.6-174.1-28000110.1S70 H74 M75 I76S70-D72 PolarHBondContact O-N 3.06Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 WeakPolarHBondContact OG-CB 3.49Å; S70-D72 PolarHBondContact OG-N 3.21Å; D72-H74 PolarHBondContact O-N 2.89Å; D72-H74 WeakPolarHBondContact OD1-CA 3.36Å; D72-H74 VanDerWaalsContact OD1-CB 3.24Å; D72-H74 WeakPolarHBondContact OD1-CB 3.41Å; D72-H74 PolarHBondContact OD1-N 3.42Å; D72-M75 HydrophobicContact CB-CB 4.15Å; D72-M75 HydrophobicContact CB-CE 4.3Å; D72-M75 HydrophobicContact CB-CG 3.9Å; D72-M75 HydrophobicContact CB-SD 4.02Å; D72-M75 PolarHBondContact O-N 3.18Å; D72-M75 PolarHBondContact OD1-N 3.4Å; D72-I76 WeakPolarHBondContact O-CG1 3.41Å; D72-I76 PolarHBondContact O-N 3.11Å; D72-I76 VanDerWaalsContact O-N 3.07Å
73E79.7Confident80.6Confident149 Ų14945 Ų4570%0.69624%0.236SC*.Hα-helixtrans-57.9-30.7179.3-67.7-173.7174.500113A77 M112E73-A77 WeakPolarHBondContact O-CB 2.89Å; E73-A77 PolarHBondContact O-N 3.46Å; E73-M112 HydrophobicContact CG-CE 3.81Å
74H84.3Confident79.6Confident135 Ų13547.3 Ų47.363%0.62525%0.253SS*.Hα-helixtrans-70.9-47.7178.1-174.265.1000111.5D72 I76 A77 V78D72-H74 PolarHBondContact O-N 2.89Å; D72-H74 WeakPolarHBondContact OD1-CA 3.36Å; D72-H74 VanDerWaalsContact OD1-CB 3.24Å; D72-H74 WeakPolarHBondContact OD1-CB 3.41Å; D72-H74 PolarHBondContact OD1-N 3.42Å; H74-I76 PolarHBondContact O-N 2.84Å; H74-A77 PolarHBondContact O-N 3.2Å; H74-A77 VanDerWaalsContact O-N 3.13Å; H74-V78 WeakPolarHBondContact O-CG2 3.49Å; H74-V78 PolarHBondContact O-N 3.33Å
75M85.6Confident78.7Confident18 Ų1847.4 Ų47.49%0.08926%0.255CS..Hα-helixtrans-58.7-40.5175.3-66.3-176.7-168.400111.1A44 F47 A67 S70 D72 V78 L79A44-M75 VanDerWaalsContact CA-CE 3.46Å; A44-M75 HydrophobicContact CB-CE 3.83Å; F47-M75 HydrophobicContact CB-SD 4.09Å; F47-M75 HydrophobicContact CD1-CB 4.35Å; F47-M75 HydrophobicContact CD1-CG 4.13Å; F47-M75 HydrophobicContact CD2-CB 4.2Å; F47-M75 HydrophobicContact CD2-CG 4.49Å; F47-M75 HydrophobicContact CE1-CB 4.24Å; F47-M75 HydrophobicContact CE1-CG 4.43Å; F47-M75 HydrophobicContact CE2-CB 4.11Å; F47-M75 HydrophobicContact CG-CB 4.32Å; F47-M75 HydrophobicContact CG-CG 4.15Å; F47-M75 HydrophobicContact CG-SD 4.2Å; F47-M75 HydrophobicContact CZ-CB 4.13Å; F47-M75 WeakPolarHBondContact CZ-O 3.06Å; A67-M75 HydrophobicContact CB-CB 4.32Å; S70-M75 PolarHBondContact OG-SD 2.96Å; S70-M75 VanDerWaalsContact OG-SD 3.33Å; D72-M75 HydrophobicContact CB-CB 4.15Å; D72-M75 HydrophobicContact CB-CE 4.3Å; D72-M75 HydrophobicContact CB-CG 3.9Å; D72-M75 HydrophobicContact CB-SD 4.02Å; D72-M75 PolarHBondContact O-N 3.18Å; D72-M75 PolarHBondContact OD1-N 3.4Å; M75-V78 PolarHBondContact O-N 2.89Å; M75-L79 WeakPolarHBondContact O-CB 3.49Å; M75-L79 PolarHBondContact O-N 3.48Å
76I80.2Confident77.5Confident17 Ų1750.7 Ų50.79%0.08727%0.268CS..Hα-helixtrans-62-47.9175.9-67.2175000110.8A67 D72 H74 L79 L80 Y100 M112A67-I76 HydrophobicContact CB-CG1 4.09Å; D72-I76 WeakPolarHBondContact O-CG1 3.41Å; D72-I76 PolarHBondContact O-N 3.11Å; D72-I76 VanDerWaalsContact O-N 3.07Å; H74-I76 PolarHBondContact O-N 2.84Å; I76-L79 PolarHBondContact O-N 3.38Å; I76-L80 HydrophobicContact CG2-CD1 3.89Å; I76-L80 HydrophobicContact CG2-CG 4.38Å; I76-L80 WeakPolarHBondContact O-CB 3.3Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 3.02Å; I76-Y100 WeakPolarHBondContact CB-OH 3.32Å; I76-Y100 WeakPolarHBondContact CD1-OH 3.27Å; I76-Y100 WeakPolarHBondContact CG1-OH 3.14Å; I76-Y100 HydrophobicContact CG2-CE1 4.06Å; I76-Y100 WeakPolarHBondContact CG2-OH 3.47Å; I76-M112 HydrophobicContact CD1-CE 3.6Å; I76-M112 HydrophobicContact CD1-SD 3.67Å
77A80.5Confident75.9Confident52 Ų5253.5 Ų53.543%0.4329%0.288SS..Hα-helixtrans-61.8-44.4179.200000112E73 H74 L79 L80 D81E73-A77 WeakPolarHBondContact O-CB 2.89Å; E73-A77 PolarHBondContact O-N 3.46Å; H74-A77 PolarHBondContact O-N 3.2Å; H74-A77 VanDerWaalsContact O-N 3.13Å; A77-L79 PolarHBondContact O-N 2.66Å; A77-L80 PolarHBondContact O-N 3.34Å; A77-D81 WeakPolarHBondContact O-CB 3.46Å; A77-D81 PolarHBondContact O-N 3.21Å
78V83Confident74.4Confident54 Ų5457.3 Ų57.333%0.32731%0.308SS..Hα-helixtrans-60.9-45.4176.2172.10000110.8F47 H74 M75 L80 D81 Y82F47-V78 HydrophobicContact CE1-CB 4.01Å; F47-V78 HydrophobicContact CE1-CG1 3.76Å; F47-V78 HydrophobicContact CZ-CB 4.12Å; F47-V78 HydrophobicContact CZ-CG1 4.04Å; H74-V78 WeakPolarHBondContact O-CG2 3.49Å; H74-V78 PolarHBondContact O-N 3.33Å; M75-V78 PolarHBondContact O-N 2.89Å; V78-L80 VanDerWaalsContact C-N 3.34Å; V78-L80 PolarHBondContact O-N 3.31Å; V78-D81 PolarHBondContact O-N 3.05Å; V78-Y82 WeakPolarHBondContact O-CB 3.24Å; V78-Y82 PolarHBondContact O-N 3.49Å
79L79.8Confident72.8Confident0 Ų059.9 Ų59.90%034%0.336CS..Hα-helixtrans-64.3-41178.3-169.958.7000111.4F47 L60 A63 L64 A67 M75 I76 A77 D81 Y82 L83 Y100F47-L79 HydrophobicContact CE2-CB 4.01Å; F47-L79 HydrophobicContact CE2-CD1 4.42Å; F47-L79 HydrophobicContact CE2-CD2 4.37Å; F47-L79 HydrophobicContact CZ-CB 3.94Å; L60-L79 HydrophobicContact CD1-CD1 4.07Å; A63-L79 HydrophobicContact CB-CD1 4.08Å; L64-L79 HydrophobicContact CB-CD2 4.42Å; L64-L79 HydrophobicContact CD2-CD2 3.61Å; L64-L79 HydrophobicContact CD2-CG 4.39Å; L64-L79 HydrophobicContact CG-CD2 4.09Å; A67-L79 HydrophobicContact CB-CD2 3.95Å; M75-L79 WeakPolarHBondContact O-CB 3.49Å; M75-L79 PolarHBondContact O-N 3.48Å; I76-L79 PolarHBondContact O-N 3.38Å; A77-L79 PolarHBondContact O-N 2.66Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-Y82 PolarHBondContact O-N 3.02Å; L79-L83 HydrophobicContact CD1-CG 4.5Å; L79-L83 HydrophobicContact CG-CD1 4.17Å; L79-L83 HydrophobicContact CG-CG 4.44Å; L79-L83 WeakPolarHBondContact O-CB 3.07Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 3.25Å; L79-Y100 HydrophobicContact CD2-CD2 4.49Å; L79-Y100 HydrophobicContact CD2-CE2 4.44Å
80L74.8Confident71Confident44 Ų4462.2 Ų62.223%0.2334%0.344CS..Hα-helixtrans-63.8-39.1176-74.7174.1000112.3I76 A77 V78 L83 S84 Y100I76-L80 HydrophobicContact CG2-CD1 3.89Å; I76-L80 HydrophobicContact CG2-CG 4.38Å; I76-L80 WeakPolarHBondContact O-CB 3.3Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 3.02Å; A77-L80 PolarHBondContact O-N 3.34Å; V78-L80 VanDerWaalsContact C-N 3.34Å; V78-L80 PolarHBondContact O-N 3.31Å; L80-L83 PolarHBondContact O-N 3.43Å; L80-S84 VanDerWaalsContact O-CB 3.27Å; L80-S84 WeakPolarHBondContact O-CB 3.22Å; L80-S84 PolarHBondContact O-N 2.91Å; L80-S84 PolarHBondContact O-OG 2.78Å; L80-Y100 HydrophobicContact CD1-CE1 4.45Å; L80-Y100 HydrophobicContact CD2-CD1 3.73Å; L80-Y100 HydrophobicContact CD2-CE1 3.88Å; L80-Y100 HydrophobicContact CG-CD1 4.47Å; L80-Y100 HydrophobicContact CG-CE1 4.16Å
81D74.7Confident69.2Low66 Ų6665.4 Ų65.435%0.35337%0.365SS..Hα-helixtrans-64.4-46.2176.7-164.865.8000111.3A77 V78 L79 L83 S84 G85 K86A77-D81 WeakPolarHBondContact O-CB 3.46Å; A77-D81 PolarHBondContact O-N 3.21Å; V78-D81 PolarHBondContact O-N 3.05Å; L79-D81 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3.21Å; D81-S84 PolarHBondContact O-N 3.3Å; D81-G85 PolarHBondContact O-N 3.05Å; D81-K86 PolarHBondContact O-N 3.14Å; D81-K86 WeakPolarHBondContact OD1-CB 3.44Å; D81-K86 WeakPolarHBondContact OD1-CD 3.08Å
82Y74.6Confident68.3Low25 Ų2564.7 Ų64.710%0.09836%0.361CS..Hα-helixtrans-57.8-49.4174.1-174.5-93.4000111.8V51 A54 V78 L79 S84 G85 S87 Y93V51-Y82 HydrophobicContact CG1-CD2 4.41Å; A54-Y82 HydrophobicContact CB-CD1 3.97Å; A54-Y82 HydrophobicContact CB-CE1 3.25Å; A54-Y82 HydrophobicContact CB-CE2 4.4Å; V78-Y82 WeakPolarHBondContact O-CB 3.24Å; V78-Y82 PolarHBondContact O-N 3.49Å; L79-Y82 PolarHBondContact O-N 3.02Å; Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 3.38Å; Y82-G85 PolarHBondContact O-N 3.14Å; Y82-S87 WeakPolarHBondContact CD2-OG 3.28Å; Y82-Y93 HydrophobicContact CE1-CD2 4.37Å; Y82-Y93 HydrophobicContact CE1-CE2 4.47Å
83L71.1Confident66.9Low3 Ų364.1 Ų64.12%0.01636%0.355CS..Hα-helixtrans-64.7-30.9178.5-71.9-179.9000113.4L60 L64 L79 L80 D81 G85 Y93 V96L60-L83 HydrophobicContact CD1-CD2 3.89Å; L60-L83 HydrophobicContact CD2-CD2 4.11Å; L60-L83 HydrophobicContact CG-CD2 4.5Å; L64-L83 HydrophobicContact CD2-CD1 4.16Å; L79-L83 HydrophobicContact CD1-CG 4.5Å; L79-L83 HydrophobicContact CG-CD1 4.17Å; L79-L83 HydrophobicContact CG-CG 4.44Å; L79-L83 WeakPolarHBondContact O-CB 3.07Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 3.25Å; L80-L83 PolarHBondContact O-N 3.43Å; D81-L83 PolarHBondContact O-N 3.21Å; L83-G85 PolarHBondContact O-N 3.06Å; L83-Y93 HydrophobicContact CD2-CG 4.46Å; L83-V96 HydrophobicContact CD1-CB 4.46Å; L83-V96 HydrophobicContact CD1-CG1 4.06Å; L83-V96 HydrophobicContact CD2-CB 3.61Å; L83-V96 HydrophobicContact CD2-CG1 3.58Å; L83-V96 HydrophobicContact CD2-CG2 4.49Å; L83-V96 HydrophobicContact CG-CG1 4.47Å
84S66.9Low65.6Low49 Ų4961.1 Ų61.134%0.34334%0.34SS..THydrogen-bonded Turntrans-72.5-9.9175.4-59.20000112.5L80 D81 Y82 K86L80-S84 VanDerWaalsContact O-CB 3.27Å; L80-S84 WeakPolarHBondContact O-CB 3.22Å; L80-S84 PolarHBondContact O-N 2.91Å; L80-S84 PolarHBondContact O-OG 2.78Å; D81-S84 PolarHBondContact O-N 3.3Å; Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 3.38Å; S84-K86 PolarHBondContact O-N 3.24Å
85G63.6Low64.2Low8 Ų861.4 Ų61.48%0.08234%0.335CS..THydrogen-bonded Turntrans72.111.3-175.100000114.1D81 Y82 L83 S87 G89 N90D81-G85 PolarHBondContact O-N 3.05Å; Y82-G85 PolarHBondContact O-N 3.14Å; L83-G85 PolarHBondContact O-N 3.06Å; G85-S87 PolarHBondContact O-N 3.45Å; G85-G89 PolarHBondContact O-N 3.38Å; G85-G89 VanDerWaalsContact O-N 3.08Å; G85-N90 VanDerWaalsContact CA-O 3.31Å; G85-N90 WeakPolarHBondContact CA-O 3.39Å
86K56.6Low62.7Low163 Ų16361.3 Ų61.371%0.70934%0.336SS*.THydrogen-bonded Turntrans-67.1-29.3176.8-76.7177172.7-177.70111.6D81 S84D81-K86 PolarHBondContact O-N 3.14Å; D81-K86 WeakPolarHBondContact OD1-CB 3.44Å; D81-K86 WeakPolarHBondContact OD1-CD 3.08Å; S84-K86 PolarHBondContact O-N 3.24Å
87S53.8Low61.7Low59 Ų5964.6 Ų64.641%0.41335%0.347SS..THydrogen-bonded Turntrans-76.7-37.7178.570.30000114Y82 G85Y82-S87 WeakPolarHBondContact CD2-OG 3.28Å; G85-S87 PolarHBondContact O-N 3.45Å
88D52Low60.6Low80 Ų8062.3 Ų62.343%0.42833%0.328SS..THydrogen-bonded Turntrans-117.66.8-166.4-6615.8000113.3N90D88-N90 PolarHBondContact O-N 3.08Å
89G43.3Very low59.4Low67 Ų6763 Ų6369%0.69133%0.329SS*.SBendtrans67.8-4.3178.600000115.5G85G85-G89 PolarHBondContact O-N 3.38Å; G85-G89 VanDerWaalsContact O-N 3.08Å
90N45.8Very low58.6Low98 Ų9863.1 Ų63.152%0.52433%0.329SS..SBendtrans-119.8119.2171.7-83.7-55.8000109.1G85 D88 K92G85-N90 VanDerWaalsContact CA-O 3.31Å; G85-N90 WeakPolarHBondContact CA-O 3.39Å; D88-N90 PolarHBondContact O-N 3.08Å; N90-K92 HydrophobicContact CB-CD 4.42Å; N90-K92 HydrophobicContact CB-CG 3.76Å; N90-K92 PolarHBondContact O-N 2.94Å
91P46.1Very low58.1Low96 Ų9662.8 Ų62.862%0.62333%0.326SS*.  trans-70.571.8171.229.5-32.6000110Y93P91-Y93 VanDerWaalsContact C-N 3.28Å; P91-Y93 PolarHBondContact O-N 3.1Å
92K55.1Low57.5Low111 Ų11160.3 Ų60.348%0.48331%0.314SS..THydrogen-bonded Turntrans-70.5-21.8-171.6-72.8-178.7-179.5169.30113.3N90N90-K92 HydrophobicContact CB-CD 4.42Å; N90-K92 HydrophobicContact CB-CG 3.76Å; N90-K92 PolarHBondContact O-N 2.94Å
93Y53.2Low56.5Low52 Ų5260.4 Ų60.420%0.20432%0.318CS..THydrogen-bonded Turntrans-139.542.5-162.3-60.7-67.9000115T55 L60 Y82 L83 P91 R95 V96 R97T55-Y93 PolarHBondContact O-OH 3.33Å; L60-Y93 HydrophobicContact CD2-CD1 4.04Å; L60-Y93 HydrophobicContact CD2-CD2 4.25Å; L60-Y93 HydrophobicContact CD2-CE1 4.34Å; L60-Y93 HydrophobicContact CD2-CG 4Å; Y82-Y93 HydrophobicContact CE1-CD2 4.37Å; Y82-Y93 HydrophobicContact CE1-CE2 4.47Å; L83-Y93 HydrophobicContact CD2-CG 4.46Å; P91-Y93 VanDerWaalsContact C-N 3.28Å; P91-Y93 PolarHBondContact O-N 3.1Å; Y93-R95 PolarHBondContact O-N 2.95Å; Y93-V96 HydrophobicContact CD1-CG2 3.81Å; Y93-V96 HydrophobicContact CG-CG2 4.08Å; Y93-V96 WeakPolarHBondContact O-CA 3.42Å; Y93-V96 WeakPolarHBondContact O-CB 3.45Å; Y93-V96 PolarHBondContact O-N 3.41Å; Y93-R97 PolarHBondContact O-N 2.89Å
94F52.6Low55.8Low87 Ų8761.2 Ų61.238%0.38232%0.322SS..Hα-helixtrans-54.4-36.9169.7-168-142.3000112.2V96 R97 E130F94-V96 VanDerWaalsContact C-N 3.26Å; F94-V96 PolarHBondContact O-N 3.12Å; F94-R97 VanDerWaalsContact O-CB 3.32Å; F94-R97 WeakPolarHBondContact O-CB 3.39Å; F94-R97 PolarHBondContact O-N 3.15Å; F94-R97 VanDerWaalsContact O-N 3.13Å; F94-E130 VanDerWaalsContact C-OE1 3.27Å; F94-E130 HydrophobicContact CD1-CG 4.35Å; F94-E130 WeakPolarHBondContact CD1-OE1 3.37Å; F94-E130 WeakPolarHBondContact CD1-OE2 3.4Å; F94-E130 HydrophobicContact CD2-CG 4.45Å; F94-E130 HydrophobicContact CE1-CG 4.17Å; F94-E130 WeakPolarHBondContact CE1-OE1 3.3Å; F94-E130 WeakPolarHBondContact CE1-OE2 3.28Å; F94-E130 HydrophobicContact CE2-CG 4.21Å; F94-E130 HydrophobicContact CG-CG 4.48Å; F94-E130 WeakPolarHBondContact CG-OE1 3.29Å; F94-E130 HydrophobicContact CZ-CB 4.36Å; F94-E130 VanDerWaalsContact CZ-CD 3.42Å; F94-E130 HydrophobicContact CZ-CG 4.04Å; F94-E130 WeakPolarHBondContact CZ-OE2 3.39Å
95R54.9Low55.1Low141 Ų14160.7 Ų60.753%0.53231%0.313SS..Hα-helixtrans-56-36.3170.6-169176.7-170.6-165.54113.6Y93 S98 I99 T134Y93-R95 PolarHBondContact O-N 2.95Å; R95-S98 PolarHBondContact O-N 3.06Å; R95-I99 PolarHBondContact O-N 3.45Å; R95-T134 HydrophobicContact CB-CG2 3.92Å; R95-T134 HydrophobicContact CG-CG2 4.02Å
96V54Low54.5Low16 Ų1667.9 Ų67.910%0.09734%0.339CS..Hα-helixtrans-79-25.5-177.2-1750000111.2L60 L64 L83 Y93 F94 S98 I99 Y100L60-V96 HydrophobicContact CD1-CG1 4.34Å; L60-V96 HydrophobicContact CD2-CB 4.15Å; L60-V96 HydrophobicContact CD2-CG1 3.77Å; L60-V96 HydrophobicContact CD2-CG2 3.69Å; L60-V96 HydrophobicContact CG-CG1 3.89Å; L64-V96 HydrophobicContact CD1-CG1 3.55Å; L64-V96 HydrophobicContact CD2-CG1 4.22Å; L64-V96 HydrophobicContact CG-CG1 4.29Å; L83-V96 HydrophobicContact CD1-CB 4.46Å; L83-V96 HydrophobicContact CD1-CG1 4.06Å; L83-V96 HydrophobicContact CD2-CB 3.61Å; L83-V96 HydrophobicContact CD2-CG1 3.58Å; L83-V96 HydrophobicContact CD2-CG2 4.49Å; L83-V96 HydrophobicContact CG-CG1 4.47Å; Y93-V96 HydrophobicContact CD1-CG2 3.81Å; Y93-V96 HydrophobicContact CG-CG2 4.08Å; Y93-V96 WeakPolarHBondContact O-CA 3.42Å; Y93-V96 WeakPolarHBondContact O-CB 3.45Å; Y93-V96 PolarHBondContact O-N 3.41Å; F94-V96 VanDerWaalsContact C-N 3.26Å; F94-V96 PolarHBondContact O-N 3.12Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 2.75Å; V96-I99 CarbonylContact O-C 3.55Å; V96-I99 PolarHBondContact O-N 2.79Å; V96-Y100 WeakPolarHBondContact O-CB 3.45Å; V96-Y100 PolarHBondContact O-N 3.33Å
97R59.1Low54Low86 Ų8665.3 Ų65.333%0.32533%0.333SS..Hα-helixtrans-60.4-42.1169.5-172.5179.2-177.2-153.1-5.2111.6Y93 F94 Y100 F101Y93-R97 PolarHBondContact O-N 2.89Å; F94-R97 VanDerWaalsContact O-CB 3.32Å; F94-R97 WeakPolarHBondContact O-CB 3.39Å; F94-R97 PolarHBondContact O-N 3.15Å; F94-R97 VanDerWaalsContact O-N 3.13Å; R97-Y100 WeakPolarHBondContact O-CB 3.19Å; R97-Y100 PolarHBondContact O-N 3.38Å; R97-F101 HydrophobicContact CG-CD2 3.93Å; R97-F101 HydrophobicContact CG-CE2 3.62Å; R97-F101 VanDerWaalsContact O-CD2 3.22Å; R97-F101 WeakPolarHBondContact O-CD2 3.21Å; R97-F101 PolarHBondContact O-N 3.06Å
98S57.5Low53.8Low3 Ų363.5 Ų63.52%0.02132%0.317CS..Hα-helixtrans-64.7-42174.2173.60000112.2R95 V96 Y100 S102 C131R95-S98 PolarHBondContact O-N 3.06Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 2.75Å; S98-Y100 VanDerWaalsContact C-N 3.32Å; S98-Y100 PolarHBondContact O-N 3.31Å; S98-S102 VanDerWaalsContact O-CB 3.26Å; S98-S102 WeakPolarHBondContact O-CB 3.31Å; S98-S102 PolarHBondContact O-N 2.76Å; S98-S102 PolarHBondContact O-OG 2.92Å; S98-C131 PolarHBondContact OG-SG 2.92Å
99I59.1Low53.6Low70 Ų7067.2 Ų67.236%0.35934%0.337SS..Hα-helixtrans-60.8-43.6172.8-63.9169.7000109.8L64 R95 V96 S102 S103L64-I99 HydrophobicContact CD1-CG2 4.22Å; R95-I99 PolarHBondContact O-N 3.45Å; V96-I99 CarbonylContact O-C 3.55Å; V96-I99 PolarHBondContact O-N 2.79Å; I99-S102 CarbonylContact O-C 3.53Å; I99-S102 PolarHBondContact O-N 3.08Å; I99-S103 WeakPolarHBondContact O-CA 3.32Å; I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.12Å; I99-S103 PolarHBondContact O-N 3.42Å; I99-S103 PolarHBondContact O-OG 3.37Å
100Y61.9Low53.8Low1 Ų168.4 Ų68.40%0.00434%0.335CS..Hα-helixtrans-60.6-50.6179-178.9-117.7000112.7L64 I76 L79 L80 V96 R97 S98 S102 S103 I104L64-Y100 HydrophobicContact CB-CD2 4.49Å; L64-Y100 VanDerWaalsContact CD2-CB 3.43Å; L64-Y100 HydrophobicContact CD2-CD2 3.22Å; L64-Y100 HydrophobicContact CD2-CE2 4.24Å; L64-Y100 HydrophobicContact CD2-CG 3.63Å; L64-Y100 HydrophobicContact CG-CD2 4.45Å; I76-Y100 WeakPolarHBondContact CB-OH 3.32Å; I76-Y100 WeakPolarHBondContact CD1-OH 3.27Å; I76-Y100 WeakPolarHBondContact CG1-OH 3.14Å; I76-Y100 HydrophobicContact CG2-CE1 4.06Å; I76-Y100 WeakPolarHBondContact CG2-OH 3.47Å; L79-Y100 HydrophobicContact CD2-CD2 4.49Å; L79-Y100 HydrophobicContact CD2-CE2 4.44Å; L80-Y100 HydrophobicContact CD1-CE1 4.45Å; L80-Y100 HydrophobicContact CD2-CD1 3.73Å; L80-Y100 HydrophobicContact CD2-CE1 3.88Å; L80-Y100 HydrophobicContact CG-CD1 4.47Å; L80-Y100 HydrophobicContact CG-CE1 4.16Å; V96-Y100 WeakPolarHBondContact O-CB 3.45Å; V96-Y100 PolarHBondContact O-N 3.33Å; R97-Y100 WeakPolarHBondContact O-CB 3.19Å; R97-Y100 PolarHBondContact O-N 3.38Å; S98-Y100 VanDerWaalsContact C-N 3.32Å; S98-Y100 PolarHBondContact O-N 3.31Å; Y100-S102 PolarHBondContact O-N 3.33Å; Y100-S103 CarbonylContact O-C 3.52Å; Y100-S103 WeakPolarHBondContact O-CA 3.31Å; Y100-S103 WeakPolarHBondContact O-CB 3.34Å; Y100-S103 PolarHBondContact O-N 3.41Å; Y100-I104 HydrophobicContact CD1-CD1 3.87Å; Y100-I104 HydrophobicContact CD2-CD1 4.43Å; Y100-I104 HydrophobicContact CD2-CG1 4.36Å; Y100-I104 HydrophobicContact CE1-CD1 3.22Å; Y100-I104 HydrophobicContact CE1-CG1 4.13Å; Y100-I104 HydrophobicContact CE2-CD1 3.91Å; Y100-I104 HydrophobicContact CE2-CG1 3.91Å; Y100-I104 HydrophobicContact CG-CD1 4.44Å; Y100-I104 PolarHBondContact O-N 3.46Å; Y100-I104 VanDerWaalsContact OH-CD1 3.29Å; Y100-I104 WeakPolarHBondContact OH-CD1 3.34Å
101F65.3Low54Low38 Ų3866.3 Ų66.317%0.16733%0.331CS..Hα-helixtrans-62.6-46.1177-76.7-65.3000110.8R97 S103 I104 Y105 I123R97-F101 HydrophobicContact CG-CD2 3.93Å; R97-F101 HydrophobicContact CG-CE2 3.62Å; R97-F101 VanDerWaalsContact O-CD2 3.22Å; R97-F101 WeakPolarHBondContact O-CD2 3.21Å; R97-F101 PolarHBondContact O-N 3.06Å; F101-S103 PolarHBondContact O-N 2.81Å; F101-I104 PolarHBondContact O-N 2.86Å; F101-Y105 WeakPolarHBondContact O-CD2 3.24Å; F101-Y105 PolarHBondContact O-N 3.26Å; F101-I123 HydrophobicContact CB-CG2 4.46Å; F101-I123 HydrophobicContact CD1-CG2 3.64Å; F101-I123 HydrophobicContact CE1-CG2 4.06Å; F101-I123 HydrophobicContact CG-CG2 4.09Å
102S60.2Low54.3Low13 Ų1364.6 Ų64.69%0.09132%0.315CS..Hα-helixtrans-55.7-42.1172.3-61.10000110.8S98 I99 Y100 Y105 Y106 W143S98-S102 VanDerWaalsContact O-CB 3.26Å; S98-S102 WeakPolarHBondContact O-CB 3.31Å; S98-S102 PolarHBondContact O-N 2.76Å; S98-S102 PolarHBondContact O-OG 2.92Å; I99-S102 CarbonylContact O-C 3.53Å; I99-S102 PolarHBondContact O-N 3.08Å; Y100-S102 PolarHBondContact O-N 3.33Å; S102-Y105 PolarHBondContact O-N 2.97Å; S102-Y106 WeakPolarHBondContact O-CB 3.38Å; S102-Y106 WeakPolarHBondContact O-CD2 3.15Å; S102-Y106 PolarHBondContact O-N 3.29Å; S102-W143 PolarHBondContact OG-NE1 3.39Å
103S54.6Low54.4Low28 Ų2863.8 Ų63.820%0.19632%0.316CS..Hα-helixtrans-65-45.7179.7-55.20000111.1I99 Y100 F101 Y105 Y106 L107I99-S103 WeakPolarHBondContact O-CA 3.32Å; I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.12Å; I99-S103 PolarHBondContact O-N 3.42Å; I99-S103 PolarHBondContact O-OG 3.37Å; Y100-S103 CarbonylContact O-C 3.52Å; Y100-S103 WeakPolarHBondContact O-CA 3.31Å; Y100-S103 WeakPolarHBondContact O-CB 3.34Å; Y100-S103 PolarHBondContact O-N 3.41Å; F101-S103 PolarHBondContact O-N 2.81Å; S103-Y105 VanDerWaalsContact C-N 3.31Å; S103-Y105 PolarHBondContact O-N 3.44Å; S103-Y106 PolarHBondContact O-N 3.07Å; S103-L107 WeakPolarHBondContact O-CA 3.33Å; S103-L107 WeakPolarHBondContact O-CB 3.23Å; S103-L107 WeakPolarHBondContact O-CD1 3.45Å; S103-L107 WeakPolarHBondContact O-CG 3.44Å; S103-L107 PolarHBondContact O-N 2.66Å
104I56.6Low54.6Low19 Ų1962.7 Ų62.710%0.09732%0.315CS..Hα-helixtrans-57.6-47.9173.8-67.5166.8000109.4Y100 F101 L107 K108 M112Y100-I104 HydrophobicContact CD1-CD1 3.87Å; Y100-I104 HydrophobicContact CD2-CD1 4.43Å; Y100-I104 HydrophobicContact CD2-CG1 4.36Å; Y100-I104 HydrophobicContact CE1-CD1 3.22Å; Y100-I104 HydrophobicContact CE1-CG1 4.13Å; Y100-I104 HydrophobicContact CE2-CD1 3.91Å; Y100-I104 HydrophobicContact CE2-CG1 3.91Å; Y100-I104 HydrophobicContact CG-CD1 4.44Å; Y100-I104 PolarHBondContact O-N 3.46Å; Y100-I104 VanDerWaalsContact OH-CD1 3.29Å; Y100-I104 WeakPolarHBondContact OH-CD1 3.34Å; F101-I104 PolarHBondContact O-N 2.86Å; I104-L107 PolarHBondContact O-N 3.25Å; I104-K108 HydrophobicContact CG2-CB 4.47Å; I104-K108 HydrophobicContact CG2-CD 4.11Å; I104-K108 WeakPolarHBondContact O-CA 3.38Å; I104-K108 WeakPolarHBondContact O-CB 2.94Å; I104-K108 PolarHBondContact O-N 3.5Å; I104-M112 HydrophobicContact CG2-CB 4.34Å
105Y52.8Low55.3Low39 Ų3968.9 Ų68.915%0.15334%0.342CS..Hα-helixtrans-68.3-42.4-179.2-77.2-73.7000113.5F101 S102 S103 L107 L113 P114 I123 F124 W143F101-Y105 WeakPolarHBondContact O-CD2 3.24Å; F101-Y105 PolarHBondContact O-N 3.26Å; S102-Y105 PolarHBondContact O-N 2.97Å; S103-Y105 VanDerWaalsContact C-N 3.31Å; S103-Y105 PolarHBondContact O-N 3.44Å; Y105-L107 VanDerWaalsContact C-N 3.35Å; Y105-L113 HydrophobicContact CE1-CD2 4.42Å; Y105-P114 HydrophobicContact CE1-CG 4.38Å; Y105-P114 WeakPolarHBondContact OH-CG 3.27Å; Y105-I123 HydrophobicContact CE2-CG2 3.59Å; Y105-F124 AromaticContact CD1-CE1 3.71Å; Y105-F124 HydrophobicContact CD1-CE1 3.71Å; Y105-F124 HydrophobicContact CD1-CZ 4.06Å; Y105-F124 HydrophobicContact CD2-CD1 4.41Å; Y105-F124 AromaticContact CD2-CE1 3.82Å; Y105-F124 HydrophobicContact CD2-CE1 3.82Å; Y105-F124 HydrophobicContact CE1-CD1 4.41Å; Y105-F124 AromaticContact CE1-CE1 3.25Å; Y105-F124 HydrophobicContact CE1-CE1 3.25Å; Y105-F124 AromaticContact CE1-CZ 3.45Å; Y105-F124 HydrophobicContact CE1-CZ 3.45Å; Y105-F124 VanDerWaalsContact CE1-CZ 3.45Å; Y105-F124 AromaticContact CE2-CD1 3.89Å; Y105-F124 HydrophobicContact CE2-CD1 3.89Å; Y105-F124 AromaticContact CE2-CE1 3.41Å; Y105-F124 HydrophobicContact CE2-CE1 3.41Å; Y105-F124 VanDerWaalsContact CE2-CE1 3.41Å; Y105-F124 HydrophobicContact CE2-CZ 4.39Å; Y105-F124 AromaticContact CG-CE1 3.98Å; Y105-F124 HydrophobicContact CG-CE1 3.98Å; Y105-F124 AromaticContact CZ-CD1 3.87Å; Y105-F124 AromaticContact CZ-CE1 3.09Å; Y105-F124 AromaticContact CZ-CZ 3.65Å; Y105-F124 WeakPolarHBondContact OH-CE1 3.14Å; Y105-W143 HydrophobicContact CD1-CH2 4.49Å; Y105-W143 AromaticContact CD2-CH2 3.88Å; Y105-W143 HydrophobicContact CD2-CH2 3.88Å; Y105-W143 HydrophobicContact CD2-CZ2 4.4Å; Y105-W143 HydrophobicContact CD2-CZ3 4.47Å; Y105-W143 AromaticContact CG-CH2 3.74Å; Y105-W143 HydrophobicContact CG-CH2 3.74Å; Y105-W143 HydrophobicContact CG-CZ3 4.41Å
106Y49.8Very low56.3Low158 Ų15865 Ų6562%0.6234%0.336SS*.Hα-helixtrans-67.9-33.3176.8-86.6-77.1000112.1S102 S103S102-Y106 WeakPolarHBondContact O-CB 3.38Å; S102-Y106 WeakPolarHBondContact O-CD2 3.15Å; S102-Y106 PolarHBondContact O-N 3.29Å; S103-Y106 PolarHBondContact O-N 3.07Å
107L46Very low57.5Low110 Ų11067.1 Ų67.158%0.57635%0.348SS*.Hα-helixtrans-85.8-10.4-179.3-67170.7000113.5A68 S103 I104 Y105A68-L107 HydrophobicContact CB-CD1 3.7Å; S103-L107 WeakPolarHBondContact O-CA 3.33Å; S103-L107 WeakPolarHBondContact O-CB 3.23Å; S103-L107 WeakPolarHBondContact O-CD1 3.45Å; S103-L107 WeakPolarHBondContact O-CG 3.44Å; S103-L107 PolarHBondContact O-N 2.66Å; I104-L107 PolarHBondContact O-N 3.25Å; Y105-L107 VanDerWaalsContact C-N 3.35Å
108K50Low58.5Low21 Ų2164.8 Ų64.89%0.09135%0.345CS..  trans-14068.5-160.4-149.4172.8-168.5176.10112.7I104 S110 A111 M112I104-K108 HydrophobicContact CG2-CB 4.47Å; I104-K108 HydrophobicContact CG2-CD 4.11Å; I104-K108 WeakPolarHBondContact O-CA 3.38Å; I104-K108 WeakPolarHBondContact O-CB 2.94Å; I104-K108 PolarHBondContact O-N 3.5Å; K108-S110 PolarHBondContact O-N 3.39Å; K108-S110 VanDerWaalsContact O-N 3.09Å; K108-A111 HydrophobicContact CD-CB 4.42Å; K108-A111 HydrophobicContact CG-CB 4.39Å; K108-M112 HydrophobicContact CD-CB 3.85Å; K108-M112 PolarHBondContact NZ-SD 2.92Å
109D47.7Very low59.5Low157 Ų15768 Ų6884%0.8436%0.362SS*.SBendtrans-51.7116.4140-140.90.6000107
110S47.1Very low60.4Low93 Ų9365 Ų6565%0.6535%0.348SS*.SBendtrans101-56.8168.577.10000123.6K108K108-S110 PolarHBondContact O-N 3.39Å; K108-S110 VanDerWaalsContact O-N 3.09Å
111A50.7Low61.4Low53 Ų5365.1 Ų65.144%0.43835%0.349SS..THydrogen-bonded Turntrans-97.1-9-155.800000119.9K108K108-A111 HydrophobicContact CD-CB 4.42Å; K108-A111 HydrophobicContact CG-CB 4.39Å
112M52.4Low62.2Low60 Ų6068.2 Ų68.230%0.29636%0.362SS..THydrogen-bonded Turntrans-135.134170.4-89.6172.9173.100110.5E73 I76 I104 K108E73-M112 HydrophobicContact CG-CE 3.81Å; I76-M112 HydrophobicContact CD1-CE 3.6Å; I76-M112 HydrophobicContact CD1-SD 3.67Å; I104-M112 HydrophobicContact CG2-CB 4.34Å; K108-M112 HydrophobicContact CD-CB 3.85Å; K108-M112 PolarHBondContact NZ-SD 2.92Å
113L56.5Low63.1Low95 Ų9569.7 Ų69.750%0.49737%0.369SS..  trans-58.5138.5167.6-72.7170.8000108.3Y105 K115Y105-L113 HydrophobicContact CE1-CD2 4.42Å; L113-K115 PolarHBondContact O-N 2.56Å
114P58.1Low64.5Low29 Ų2969 Ų6919%0.18836%0.362CS..  trans-52.1127.7173.6-21.331.6000108.8Y105 C116 D119 A120 I123Y105-P114 HydrophobicContact CE1-CG 4.38Å; Y105-P114 WeakPolarHBondContact OH-CG 3.27Å; P114-C116 PolarHBondContact O-N 2.92Å; P114-C116 VanDerWaalsContact O-N 3.11Å; P114-D119 HydrophobicContact CB-CB 3.76Å; P114-A120 HydrophobicContact CB-CB 3.78Å; P114-A120 VanDerWaalsContact CB-N 3.29Å; P114-A120 VanDerWaalsContact CG-CA 3.46Å; P114-A120 HydrophobicContact CG-CB 3.58Å; P114-I123 HydrophobicContact CG-CD1 4.02Å
115K66.3Low66Low217 Ų21768.3 Ų68.394%0.94336%0.359SS*.SBendtrans-61.1-23.7-177.2-67.6-179.4-179.2175.20112.1L113L113-K115 PolarHBondContact O-N 2.56Å
116C76.2Confident67.4Low59 Ų5970.1 Ų70.140%0.39937%0.371SS..SBendtrans-129.6149178.7-173.90000110.7P114 S118 D119 A120P114-C116 PolarHBondContact O-N 2.92Å; P114-C116 VanDerWaalsContact O-N 3.11Å; C116-S118 PolarHBondContact O-N 3.44Å; C116-S118 PolarHBondContact SG-N 2.68Å; C116-S118 PolarHBondContact SG-OG 2.99Å; C116-D119 PolarHBondContact O-N 3.48Å; C116-D119 VanDerWaalsContact O-N 3.11Å; C116-A120 PolarHBondContact O-N 3.06Å
117V80Confident68.9Low60 Ų6062.8 Ų62.836%0.36434%0.342SS..Hα-helixtrans-54.7-35172.2-177.20000111.2D119 A120 V121 Y152V117-D119 VanDerWaalsContact C-N 3.34Å; V117-D119 PolarHBondContact O-N 3.47Å; V117-A120 WeakPolarHBondContact O-CB 3.49Å; V117-A120 PolarHBondContact O-N 3.27Å; V117-V121 HydrophobicContact CG1-CG2 4.43Å; V117-V121 WeakPolarHBondContact O-CG2 3.34Å; V117-V121 PolarHBondContact O-N 2.74Å; V117-Y152 HydrophobicContact CG1-CD1 3.54Å; V117-Y152 HydrophobicContact CG1-CE1 3.82Å
118S80.5Confident70.8Confident38 Ų3857.5 Ų57.527%0.26632%0.315SS..Hα-helixtrans-62.4-40.3178.661.60000112.9C116 V121 K122 Q155C116-S118 PolarHBondContact O-N 3.44Å; C116-S118 PolarHBondContact SG-N 2.68Å; C116-S118 PolarHBondContact SG-OG 2.99Å; S118-V121 PolarHBondContact O-N 3.41Å; S118-K122 WeakPolarHBondContact O-CG 3.22Å; S118-K122 PolarHBondContact O-N 3.27Å; S118-K122 VanDerWaalsContact O-N 3.07Å; S118-Q155 VanDerWaalsContact CB-OE1 3.28Å
119D76.9Confident72.5Confident70 Ų7058 Ų5837%0.37432%0.318SS..Hα-helixtrans-72.4-36.9179.6-65.1-18.9000110.2P114 C116 V117 K122 I123P114-D119 HydrophobicContact CB-CB 3.76Å; C116-D119 PolarHBondContact O-N 3.48Å; C116-D119 VanDerWaalsContact O-N 3.11Å; V117-D119 VanDerWaalsContact C-N 3.34Å; V117-D119 PolarHBondContact O-N 3.47Å; D119-K122 PolarHBondContact O-N 3.05Å; D119-I123 WeakPolarHBondContact O-CD1 3.44Å; D119-I123 VanDerWaalsContact O-CG1 3.24Å; D119-I123 WeakPolarHBondContact O-CG1 3.45Å; D119-I123 PolarHBondContact O-N 3.47Å
120A77.6Confident74Confident7 Ų750.9 Ų50.96%0.05828%0.28CS..Hα-helixtrans-59.9-49.1173.100000111.4P114 C116 V117 K122 I123 F124 Y152P114-A120 HydrophobicContact CB-CB 3.78Å; P114-A120 VanDerWaalsContact CB-N 3.29Å; P114-A120 VanDerWaalsContact CG-CA 3.46Å; P114-A120 HydrophobicContact CG-CB 3.58Å; C116-A120 PolarHBondContact O-N 3.06Å; V117-A120 WeakPolarHBondContact O-CB 3.49Å; V117-A120 PolarHBondContact O-N 3.27Å; A120-K122 PolarHBondContact O-N 3.33Å; A120-I123 PolarHBondContact O-N 3.43Å; A120-F124 HydrophobicContact CB-CD2 4.24Å; A120-F124 HydrophobicContact CB-CE2 3.83Å; A120-F124 HydrophobicContact CB-CZ 4.43Å; A120-F124 WeakPolarHBondContact O-CB 3.39Å; A120-F124 WeakPolarHBondContact O-CD2 3.43Å; A120-F124 WeakPolarHBondContact O-CG 3.49Å; A120-F124 PolarHBondContact O-N 2.74Å; A120-Y152 HydrophobicContact CB-CE1 4.42Å
121V84.2Confident75.6Confident3 Ų346.5 Ų46.52%0.01825%0.249CC..Hα-helixtrans-57.9-48.1177.8171.40000110.8V117 S118 I123 F124 T125 I147 Y152 Q155 I156V117-V121 HydrophobicContact CG1-CG2 4.43Å; V117-V121 WeakPolarHBondContact O-CG2 3.34Å; V117-V121 PolarHBondContact O-N 2.74Å; S118-V121 PolarHBondContact O-N 3.41Å; V121-I123 PolarHBondContact O-N 3.13Å; V121-F124 PolarHBondContact O-N 3.28Å; V121-T125 VanDerWaalsContact O-CB 3.24Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 PolarHBondContact O-N 3Å; V121-T125 PolarHBondContact O-OG1 3.34Å; V121-I147 HydrophobicContact CG1-CG2 3.94Å; V121-I147 HydrophobicContact CG2-CG2 4.38Å; V121-Y152 HydrophobicContact CG2-CD1 3.77Å; V121-Y152 HydrophobicContact CG2-CG 4.23Å; V121-Q155 HydrophobicContact CB-CB 4.46Å; V121-Q155 HydrophobicContact CG1-CB 4.46Å; V121-Q155 HydrophobicContact CG2-CB 4.12Å; V121-I156 HydrophobicContact CG1-CG1 4.12Å
122K82.3Confident77.2Confident103 Ų10347 Ų4745%0.44824%0.239SC..Hα-helixtrans-57.9-47.7177.4-73.9175.2179.5177.70112.3S118 D119 A120 T125 L126 E157S118-K122 WeakPolarHBondContact O-CG 3.22Å; S118-K122 PolarHBondContact O-N 3.27Å; S118-K122 VanDerWaalsContact O-N 3.07Å; D119-K122 PolarHBondContact O-N 3.05Å; A120-K122 PolarHBondContact O-N 3.33Å; K122-T125 PolarHBondContact O-N 3.16Å; K122-L126 WeakPolarHBondContact O-CB 3.42Å; K122-L126 VanDerWaalsContact O-CG 3.27Å; K122-L126 WeakPolarHBondContact O-CG 3.26Å; K122-L126 PolarHBondContact O-N 3.34Å; K122-E157 WeakPolarHBondContact CE-OE1 3.37Å
123I79.2Confident78.7Confident45 Ų4552.5 Ų52.523%0.23126%0.257CS..Hα-helixtrans-64.5-47.2-178.7-66.7163.7000110.5F101 Y105 P114 D119 A120 V121 L126 T127F101-I123 HydrophobicContact CB-CG2 4.46Å; F101-I123 HydrophobicContact CD1-CG2 3.64Å; F101-I123 HydrophobicContact CE1-CG2 4.06Å; F101-I123 HydrophobicContact CG-CG2 4.09Å; Y105-I123 HydrophobicContact CE2-CG2 3.59Å; P114-I123 HydrophobicContact CG-CD1 4.02Å; D119-I123 WeakPolarHBondContact O-CD1 3.44Å; D119-I123 VanDerWaalsContact O-CG1 3.24Å; D119-I123 WeakPolarHBondContact O-CG1 3.45Å; D119-I123 PolarHBondContact O-N 3.47Å; A120-I123 PolarHBondContact O-N 3.43Å; V121-I123 PolarHBondContact O-N 3.13Å; I123-L126 PolarHBondContact O-N 3.34Å; I123-T127 WeakPolarHBondContact O-CB 3.3Å; I123-T127 PolarHBondContact O-N 2.98Å; I123-T127 PolarHBondContact O-OG1 2.94Å
124F83.4Confident79.6Confident14 Ų1449.2 Ų49.26%0.06124%0.241CC..Hα-helixtrans-64.9-41.5179.6-62.5-34.3000111.8Y105 A120 V121 T127 A128 W143 V146 I147Y105-F124 AromaticContact CD1-CE1 3.71Å; Y105-F124 HydrophobicContact CD1-CE1 3.71Å; Y105-F124 HydrophobicContact CD1-CZ 4.06Å; Y105-F124 HydrophobicContact CD2-CD1 4.41Å; Y105-F124 AromaticContact CD2-CE1 3.82Å; Y105-F124 HydrophobicContact CD2-CE1 3.82Å; Y105-F124 HydrophobicContact CE1-CD1 4.41Å; Y105-F124 AromaticContact CE1-CE1 3.25Å; Y105-F124 HydrophobicContact CE1-CE1 3.25Å; Y105-F124 AromaticContact CE1-CZ 3.45Å; Y105-F124 HydrophobicContact CE1-CZ 3.45Å; Y105-F124 VanDerWaalsContact CE1-CZ 3.45Å; Y105-F124 AromaticContact CE2-CD1 3.89Å; Y105-F124 HydrophobicContact CE2-CD1 3.89Å; Y105-F124 AromaticContact CE2-CE1 3.41Å; Y105-F124 HydrophobicContact CE2-CE1 3.41Å; Y105-F124 VanDerWaalsContact CE2-CE1 3.41Å; Y105-F124 HydrophobicContact CE2-CZ 4.39Å; Y105-F124 AromaticContact CG-CE1 3.98Å; Y105-F124 HydrophobicContact CG-CE1 3.98Å; Y105-F124 AromaticContact CZ-CD1 3.87Å; Y105-F124 AromaticContact CZ-CE1 3.09Å; Y105-F124 AromaticContact CZ-CZ 3.65Å; Y105-F124 WeakPolarHBondContact OH-CE1 3.14Å; A120-F124 HydrophobicContact CB-CD2 4.24Å; A120-F124 HydrophobicContact CB-CE2 3.83Å; A120-F124 HydrophobicContact CB-CZ 4.43Å; A120-F124 WeakPolarHBondContact O-CB 3.39Å; A120-F124 WeakPolarHBondContact O-CD2 3.43Å; A120-F124 WeakPolarHBondContact O-CG 3.49Å; A120-F124 PolarHBondContact O-N 2.74Å; V121-F124 PolarHBondContact O-N 3.28Å; F124-T127 PolarHBondContact O-N 2.87Å; F124-A128 WeakPolarHBondContact O-CB 3.32Å; F124-A128 PolarHBondContact O-N 2.81Å; F124-W143 HydrophobicContact CB-CE3 4.45Å; F124-W143 HydrophobicContact CD1-CD2 4.39Å; F124-W143 AromaticContact CD1-CE3 3.42Å; F124-W143 HydrophobicContact CD1-CE3 3.42Å; F124-W143 VanDerWaalsContact CD1-CE3 3.42Å; F124-W143 HydrophobicContact CD1-CH2 4.26Å; F124-W143 AromaticContact CD1-CZ3 3.36Å; F124-W143 HydrophobicContact CD1-CZ3 3.36Å; F124-W143 AromaticContact CE1-CE3 3.78Å; F124-W143 HydrophobicContact CE1-CE3 3.78Å; F124-W143 AromaticContact CE1-CH2 3.95Å; F124-W143 HydrophobicContact CE1-CH2 3.95Å; F124-W143 AromaticContact CE1-CZ3 3.19Å; F124-W143 HydrophobicContact CE1-CZ3 3.19Å; F124-W143 HydrophobicContact CG-CE3 4.07Å; F124-W143 HydrophobicContact CG-CZ3 4.31Å; F124-W143 HydrophobicContact CZ-CZ3 4.05Å; F124-V146 HydrophobicContact CD2-CG1 4.22Å; F124-V146 HydrophobicContact CE2-CG1 4.17Å; F124-I147 HydrophobicContact CB-CD1 3.42Å; F124-I147 VanDerWaalsContact CB-CD1 3.42Å; F124-I147 HydrophobicContact CB-CG1 3.34Å; F124-I147 HydrophobicContact CD2-CG1 4.23Å; F124-I147 HydrophobicContact CG-CG1 4.22Å
125T87.2Confident80.5Confident3 Ų354.3 Ų54.32%0.01827%0.266CS..Hα-helixtrans-60.6-48.6178.8-67.40000110.6V121 K122 T127 A128 I129 I147 Y160 I164V121-T125 VanDerWaalsContact O-CB 3.24Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 PolarHBondContact O-N 3Å; V121-T125 PolarHBondContact O-OG1 3.34Å; K122-T125 PolarHBondContact O-N 3.16Å; T125-T127 VanDerWaalsContact C-N 3.31Å; T125-T127 PolarHBondContact O-N 3.04Å; T125-A128 PolarHBondContact O-N 2.81Å; T125-I129 HydrophobicContact CG2-CD1 3.87Å; T125-I129 VanDerWaalsContact O-CG1 3.29Å; T125-I129 WeakPolarHBondContact O-CG1 3.35Å; T125-I129 PolarHBondContact O-N 3.3Å; T125-I147 VanDerWaalsContact N-CD1 3.28Å; T125-Y160 HydrophobicContact CG2-CD1 4.33Å; T125-Y160 HydrophobicContact CG2-CD2 3.67Å; T125-Y160 HydrophobicContact CG2-CE2 4.5Å; T125-Y160 HydrophobicContact CG2-CG 3.58Å; T125-I164 HydrophobicContact CG2-CD1 4.25Å; T125-I164 HydrophobicContact CG2-CG1 4.36Å
126L83.8Confident81.2Confident78 Ų7846.1 Ų46.141%0.40823%0.233SC..Hα-helixtrans-63.5-38.6176.4-66.4175.1000111.7K122 I123 E130K122-L126 WeakPolarHBondContact O-CB 3.42Å; K122-L126 VanDerWaalsContact O-CG 3.27Å; K122-L126 WeakPolarHBondContact O-CG 3.26Å; K122-L126 PolarHBondContact O-N 3.34Å; I123-L126 PolarHBondContact O-N 3.34Å; L126-E130 VanDerWaalsContact O-CB 3.27Å; L126-E130 WeakPolarHBondContact O-CB 3.26Å; L126-E130 PolarHBondContact O-N 3.22Å
127T79.6Confident81.6Confident3 Ų348 Ų482%0.01824%0.236CC..Hα-helixtrans-66.4-41.6178-54.70000111.7I123 F124 T125 E130 C131 W143I123-T127 WeakPolarHBondContact O-CB 3.3Å; I123-T127 PolarHBondContact O-N 2.98Å; I123-T127 PolarHBondContact O-OG1 2.94Å; F124-T127 PolarHBondContact O-N 2.87Å; T125-T127 VanDerWaalsContact C-N 3.31Å; T125-T127 PolarHBondContact O-N 3.04Å; T127-E130 PolarHBondContact O-N 2.75Å; T127-C131 WeakPolarHBondContact O-CB 3.49Å; T127-C131 PolarHBondContact O-N 3.45Å; T127-C131 PolarHBondContact O-SG 2.8Å; T127-W143 HydrophobicContact CG2-CD2 4.38Å; T127-W143 HydrophobicContact CG2-CG 4.11Å
128A85.9Confident81.8Confident0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-64.2-49.517800000111.4F124 T125 E130 C131 W132 A140 W143 A144 I147 I164F124-A128 WeakPolarHBondContact O-CB 3.32Å; F124-A128 PolarHBondContact O-N 2.81Å; T125-A128 PolarHBondContact O-N 2.81Å; A128-E130 PolarHBondContact O-N 3.43Å; A128-C131 PolarHBondContact O-N 3.2Å; A128-W132 WeakPolarHBondContact O-CB 3.29Å; A128-W132 PolarHBondContact O-N 3.33Å; A128-A140 WeakPolarHBondContact O-CB 3.27Å; A128-W143 HydrophobicContact CB-CB 3.77Å; A128-A144 HydrophobicContact CB-CB 4.39Å; A128-I147 HydrophobicContact CB-CD1 4.49Å; A128-I164 HydrophobicContact CB-CD1 3.77Å
129I86.6Confident81.9Confident31 Ų3150.6 Ų50.616%0.15925%0.247CC..Hα-helixtrans-59.9-39.2177.7-67168.9000110.4T125 W132 R133 Y160 T163 I164 I167T125-I129 HydrophobicContact CG2-CD1 3.87Å; T125-I129 VanDerWaalsContact O-CG1 3.29Å; T125-I129 WeakPolarHBondContact O-CG1 3.35Å; T125-I129 PolarHBondContact O-N 3.3Å; I129-W132 WeakPolarHBondContact O-CB 3.27Å; I129-W132 PolarHBondContact O-N 3.21Å; I129-R133 WeakPolarHBondContact O-CG 3.4Å; I129-R133 PolarHBondContact O-N 3.47Å; I129-Y160 HydrophobicContact CD1-CD1 3.48Å; I129-Y160 VanDerWaalsContact CD1-CD1 3.48Å; I129-Y160 HydrophobicContact CD1-CE1 4.08Å; I129-Y160 HydrophobicContact CD1-CG 4.06Å; I129-T163 HydrophobicContact CD1-CG2 4.46Å; I129-T163 HydrophobicContact CG1-CG2 4.05Å; I129-I164 HydrophobicContact CG1-CD1 4.08Å; I129-I167 HydrophobicContact CG1-CD1 4.42Å
130E80.1Confident82.3Confident8 Ų847.3 Ų47.34%0.03723%0.229CC..Hα-helixtrans-76.5-38.8-178.217952.9-172.600113.8F94 L126 T127 A128 W132 R133 T134F94-E130 VanDerWaalsContact C-OE1 3.27Å; F94-E130 HydrophobicContact CD1-CG 4.35Å; F94-E130 WeakPolarHBondContact CD1-OE1 3.37Å; F94-E130 WeakPolarHBondContact CD1-OE2 3.4Å; F94-E130 HydrophobicContact CD2-CG 4.45Å; F94-E130 HydrophobicContact CE1-CG 4.17Å; F94-E130 WeakPolarHBondContact CE1-OE1 3.3Å; F94-E130 WeakPolarHBondContact CE1-OE2 3.28Å; F94-E130 HydrophobicContact CE2-CG 4.21Å; F94-E130 HydrophobicContact CG-CG 4.48Å; F94-E130 WeakPolarHBondContact CG-OE1 3.29Å; F94-E130 HydrophobicContact CZ-CB 4.36Å; F94-E130 VanDerWaalsContact CZ-CD 3.42Å; F94-E130 HydrophobicContact CZ-CG 4.04Å; F94-E130 WeakPolarHBondContact CZ-OE2 3.39Å; L126-E130 VanDerWaalsContact O-CB 3.27Å; L126-E130 WeakPolarHBondContact O-CB 3.26Å; L126-E130 PolarHBondContact O-N 3.22Å; T127-E130 PolarHBondContact O-N 2.75Å; A128-E130 PolarHBondContact O-N 3.43Å; E130-W132 PolarHBondContact O-N 3.29Å; E130-R133 PolarHBondContact O-N 3.06Å; E130-R133 IonicContact OE2-NE 3.8Å; E130-T134 PolarHBondContact O-N 3.37Å; E130-T134 VanDerWaalsContact O-N 3.11Å; E130-T134 PolarHBondContact O-OG1 3.12Å; E130-T134 VanDerWaalsContact OE1-CG2 3.23Å; E130-T134 WeakPolarHBondContact OE1-CG2 3.18Å
131C79.3Confident82.9Confident0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-55.3-40.7168.1-70.30000110.8S98 T127 A128 T134 D135 L136 S139 A140S98-C131 PolarHBondContact OG-SG 2.92Å; T127-C131 WeakPolarHBondContact O-CB 3.49Å; T127-C131 PolarHBondContact O-N 3.45Å; T127-C131 PolarHBondContact O-SG 2.8Å; A128-C131 PolarHBondContact O-N 3.2Å; C131-T134 PolarHBondContact O-N 3.36Å; C131-T134 PolarHBondContact O-OG1 3.27Å; C131-D135 PolarHBondContact O-N 3.23Å; C131-L136 HydrophobicContact CB-CB 4.01Å; C131-L136 CarbonylContact O-C 3.58Å; C131-L136 WeakPolarHBondContact O-CA 3.26Å; C131-L136 WeakPolarHBondContact O-CB 3.35Å; C131-L136 PolarHBondContact O-N 3.5Å; C131-S139 VanDerWaalsContact SG-CB 3.57Å; C131-A140 VanDerWaalsContact CB-CA 3.5Å; C131-A140 HydrophobicContact CB-CB 3.54Å
132W84.9Confident83.1Confident63 Ų6354.2 Ų54.224%0.23926%0.256CS..Hα-helixtrans-64-44.2178.8-174.1-102000112.4A128 I129 E130 T134 D135 Q137 A140 I167 Q170 A171A128-W132 WeakPolarHBondContact O-CB 3.29Å; A128-W132 PolarHBondContact O-N 3.33Å; I129-W132 WeakPolarHBondContact O-CB 3.27Å; I129-W132 PolarHBondContact O-N 3.21Å; E130-W132 PolarHBondContact O-N 3.29Å; W132-T134 PolarHBondContact O-N 2.89Å; W132-D135 PolarHBondContact O-N 3.41Å; W132-Q137 HydrophobicContact CE3-CG 4.37Å; W132-Q137 HydrophobicContact CZ3-CB 4.38Å; W132-Q137 HydrophobicContact CZ3-CG 3.96Å; W132-A140 HydrophobicContact CB-CB 4.01Å; W132-A140 HydrophobicContact CE3-CB 4.11Å; W132-I167 HydrophobicContact CB-CD1 3.74Å; W132-I167 HydrophobicContact CB-CG1 3.89Å; W132-I167 HydrophobicContact CD2-CB 4.41Å; W132-I167 HydrophobicContact CD2-CD1 4.5Å; W132-I167 HydrophobicContact CD2-CG1 3.66Å; W132-I167 HydrophobicContact CD2-CG2 4.46Å; W132-I167 HydrophobicContact CE3-CB 4.16Å; W132-I167 HydrophobicContact CE3-CG1 3.89Å; W132-I167 HydrophobicContact CE3-CG2 3.82Å; W132-I167 HydrophobicContact CG-CD1 4Å; W132-I167 HydrophobicContact CG-CG1 3.63Å; W132-I167 HydrophobicContact CZ3-CG2 4.36Å; W132-Q170 HydrophobicContact CH2-CB 3.55Å; W132-Q170 HydrophobicContact CZ2-CB 4.12Å; W132-Q170 HydrophobicContact CZ3-CB 4.43Å; W132-A171 HydrophobicContact CZ3-CB 4.45Å
133R83.2Confident83.3Confident177 Ų17750.7 Ų50.767%0.66824%0.24SC*.Hα-helixtrans-66.9-21177.9-70.4171.365.3124.74.8114.1I129 E130I129-R133 WeakPolarHBondContact O-CG 3.4Å; I129-R133 PolarHBondContact O-N 3.47Å; E130-R133 PolarHBondContact O-N 3.06Å; E130-R133 IonicContact OE2-NE 3.8Å
134T75.3Confident83.8Confident25 Ų2548.5 Ų48.515%0.15323%0.229CC..THydrogen-bonded Turntrans-107.321.2-176.654.90000113R95 E130 C131 W132 L136R95-T134 HydrophobicContact CB-CG2 3.92Å; R95-T134 HydrophobicContact CG-CG2 4.02Å; E130-T134 PolarHBondContact O-N 3.37Å; E130-T134 VanDerWaalsContact O-N 3.11Å; E130-T134 PolarHBondContact O-OG1 3.12Å; E130-T134 VanDerWaalsContact OE1-CG2 3.23Å; E130-T134 WeakPolarHBondContact OE1-CG2 3.18Å; C131-T134 PolarHBondContact O-N 3.36Å; C131-T134 PolarHBondContact O-OG1 3.27Å; W132-T134 PolarHBondContact O-N 2.89Å; T134-L136 PolarHBondContact O-N 3.27Å; T134-L136 VanDerWaalsContact O-N 3.1Å
135D78.8Confident84.2Confident136 Ų13650.1 Ų50.173%0.72724%0.24SC*.THydrogen-bonded Turntrans55.822.4-179.2-60.3-46000114.2C131 W132 Q137C131-D135 PolarHBondContact O-N 3.23Å; W132-D135 PolarHBondContact O-N 3.41Å; D135-Q137 PolarHBondContact O-N 3.35Å; D135-Q137 VanDerWaalsContact O-N 3.17Å
136L80Confident84.2Confident45 Ų4551.3 Ų51.324%0.23625%0.247CC..  trans-88.757.4172.3-61.7178.3000110.1C131 T134 L138 S139 A140C131-L136 HydrophobicContact CB-CB 4.01Å; C131-L136 CarbonylContact O-C 3.58Å; C131-L136 WeakPolarHBondContact O-CA 3.26Å; C131-L136 WeakPolarHBondContact O-CB 3.35Å; C131-L136 PolarHBondContact O-N 3.5Å; T134-L136 PolarHBondContact O-N 3.27Å; T134-L136 VanDerWaalsContact O-N 3.1Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 PolarHBondContact O-N 3.22Å; L136-S139 PolarHBondContact O-N 3.02Å; L136-A140 PolarHBondContact O-N 3.28Å
137Q84.9Confident84.4Confident99 Ų9947.6 Ų47.646%0.46323%0.228SC..Hα-helixtrans-54.2-43.8-172.5-65.8179.4-7.700112.8W132 D135 S139 A140 Y141W132-Q137 HydrophobicContact CE3-CG 4.37Å; W132-Q137 HydrophobicContact CZ3-CB 4.38Å; W132-Q137 HydrophobicContact CZ3-CG 3.96Å; D135-Q137 PolarHBondContact O-N 3.35Å; D135-Q137 VanDerWaalsContact O-N 3.17Å; Q137-S139 VanDerWaalsContact C-N 3.35Å; Q137-S139 PolarHBondContact O-N 3.22Å; Q137-A140 WeakPolarHBondContact O-CB 3.13Å; Q137-A140 PolarHBondContact O-N 2.96Å; Q137-Y141 WeakPolarHBondContact O-CB 2.64Å; Q137-Y141 PolarHBondContact O-N 3.18Å
138L84.8Confident85Confident117 Ų11749.4 Ų49.461%0.61324%0.237SC*.Hα-helixtrans-62.2-40.5178.9-175.864.7000112.5L136 K142L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 PolarHBondContact O-N 3.22Å; L138-K142 WeakPolarHBondContact O-CB 3.12Å; L138-K142 VanDerWaalsContact O-CG 3.23Å; L138-K142 WeakPolarHBondContact O-CG 3.33Å; L138-K142 PolarHBondContact O-N 2.98Å
139S81.5Confident85.2Confident36 Ų3656 Ų5625%0.25226%0.262SS..Hα-helixtrans-71.5-40176.6-62.10000111.1C131 L136 Q137 Y141 K142 W143C131-S139 VanDerWaalsContact SG-CB 3.57Å; L136-S139 PolarHBondContact O-N 3.02Å; Q137-S139 VanDerWaalsContact C-N 3.35Å; Q137-S139 PolarHBondContact O-N 3.22Å; S139-Y141 VanDerWaalsContact C-N 3.35Å; S139-Y141 PolarHBondContact O-N 3.31Å; S139-K142 PolarHBondContact O-N 3.12Å; S139-W143 PolarHBondContact O-N 2.88Å
140A86Confident85.3Confident0 Ų059.9 Ų59.90%029%0.289CS..Hα-helixtrans-58.5-48175.600000111.1A128 C131 W132 L136 Q137 W143 A144 I167A128-A140 WeakPolarHBondContact O-CB 3.27Å; C131-A140 VanDerWaalsContact CB-CA 3.5Å; C131-A140 HydrophobicContact CB-CB 3.54Å; W132-A140 HydrophobicContact CB-CB 4.01Å; W132-A140 HydrophobicContact CE3-CB 4.11Å; L136-A140 PolarHBondContact O-N 3.28Å; Q137-A140 WeakPolarHBondContact O-CB 3.13Å; Q137-A140 PolarHBondContact O-N 2.96Å; A140-W143 PolarHBondContact O-N 3.41Å; A140-A144 WeakPolarHBondContact O-CB 2.82Å; A140-A144 PolarHBondContact O-N 3.26Å; A140-I167 HydrophobicContact CB-CG2 3.78Å
141Y90Very high85.6Confident67 Ų6765.1 Ų65.126%0.26332%0.317SS..Hα-helixtrans-60.4-47.8176.9-179.9-96.7000112.4Q137 S139 W143 A144 T145 V168 A171 D172Q137-Y141 WeakPolarHBondContact O-CB 2.64Å; Q137-Y141 PolarHBondContact O-N 3.18Å; S139-Y141 VanDerWaalsContact C-N 3.35Å; S139-Y141 PolarHBondContact O-N 3.31Å; Y141-W143 VanDerWaalsContact C-N 3.33Å; Y141-W143 PolarHBondContact O-N 3.05Å; Y141-A144 PolarHBondContact O-N 3.36Å; Y141-T145 HydrophobicContact CD1-CG2 4.17Å; Y141-T145 HydrophobicContact CD2-CG2 4.28Å; Y141-T145 HydrophobicContact CE1-CG2 3.83Å; Y141-T145 HydrophobicContact CE2-CG2 4.01Å; Y141-T145 HydrophobicContact CG-CG2 4.4Å; Y141-T145 WeakPolarHBondContact O-CB 3.11Å; Y141-T145 WeakPolarHBondContact O-CG2 3.23Å; Y141-T145 PolarHBondContact O-N 3.24Å; Y141-T145 PolarHBondContact O-OG1 2.89Å; Y141-V168 HydrophobicContact CD2-CG1 4.36Å; Y141-V168 HydrophobicContact CE2-CG1 3.86Å; Y141-A171 HydrophobicContact CD2-CB 3.69Å; Y141-A171 HydrophobicContact CG-CB 4.14Å; Y141-D172 WeakPolarHBondContact CE2-OD1 3.41Å; Y141-D172 VanDerWaalsContact CZ-OD1 3.26Å; Y141-D172 PolarHBondContact OH-OD1 2.98Å
142K87.4Confident86Confident89 Ų8968 Ų6839%0.38733%0.329SS..Hα-helixtrans-55.4-47.3176.7-77.5172.3178.5-177.10111.7L138 S139 T145 V146L138-K142 WeakPolarHBondContact O-CB 3.12Å; L138-K142 VanDerWaalsContact O-CG 3.23Å; L138-K142 WeakPolarHBondContact O-CG 3.33Å; L138-K142 PolarHBondContact O-N 2.98Å; S139-K142 PolarHBondContact O-N 3.12Å; K142-T145 PolarHBondContact O-OG1 3Å; K142-V146 VanDerWaalsContact O-CG2 3.3Å; K142-V146 WeakPolarHBondContact O-CG2 3.31Å; K142-V146 PolarHBondContact O-N 3.24Å
143W87Confident86.2Confident28 Ų2871.5 Ų71.511%0.10634%0.342CS..Hα-helixtrans-70.5-41.5178.6-69.1119.6000112.5S102 Y105 F124 T127 A128 S139 A140 Y141 T145 V146 I147S102-W143 PolarHBondContact OG-NE1 3.39Å; Y105-W143 HydrophobicContact CD1-CH2 4.49Å; Y105-W143 AromaticContact CD2-CH2 3.88Å; Y105-W143 HydrophobicContact CD2-CH2 3.88Å; Y105-W143 HydrophobicContact CD2-CZ2 4.4Å; Y105-W143 HydrophobicContact CD2-CZ3 4.47Å; Y105-W143 AromaticContact CG-CH2 3.74Å; Y105-W143 HydrophobicContact CG-CH2 3.74Å; Y105-W143 HydrophobicContact CG-CZ3 4.41Å; F124-W143 HydrophobicContact CB-CE3 4.45Å; F124-W143 HydrophobicContact CD1-CD2 4.39Å; F124-W143 AromaticContact CD1-CE3 3.42Å; F124-W143 HydrophobicContact CD1-CE3 3.42Å; F124-W143 VanDerWaalsContact CD1-CE3 3.42Å; F124-W143 HydrophobicContact CD1-CH2 4.26Å; F124-W143 AromaticContact CD1-CZ3 3.36Å; F124-W143 HydrophobicContact CD1-CZ3 3.36Å; F124-W143 AromaticContact CE1-CE3 3.78Å; F124-W143 HydrophobicContact CE1-CE3 3.78Å; F124-W143 AromaticContact CE1-CH2 3.95Å; F124-W143 HydrophobicContact CE1-CH2 3.95Å; F124-W143 AromaticContact CE1-CZ3 3.19Å; F124-W143 HydrophobicContact CE1-CZ3 3.19Å; F124-W143 HydrophobicContact CG-CE3 4.07Å; F124-W143 HydrophobicContact CG-CZ3 4.31Å; F124-W143 HydrophobicContact CZ-CZ3 4.05Å; T127-W143 HydrophobicContact CG2-CD2 4.38Å; T127-W143 HydrophobicContact CG2-CG 4.11Å; A128-W143 HydrophobicContact CB-CB 3.77Å; S139-W143 PolarHBondContact O-N 2.88Å; A140-W143 PolarHBondContact O-N 3.41Å; Y141-W143 VanDerWaalsContact C-N 3.33Å; Y141-W143 PolarHBondContact O-N 3.05Å; W143-T145 VanDerWaalsContact C-N 3.35Å; W143-T145 PolarHBondContact O-N 3.25Å; W143-V146 PolarHBondContact O-N 3.14Å; W143-I147 WeakPolarHBondContact O-CD1 3.5Å; W143-I147 VanDerWaalsContact O-CG1 3.28Å; W143-I147 WeakPolarHBondContact O-CG1 3.35Å; W143-I147 PolarHBondContact O-N 2.9Å
144A90.7Very high86.5Confident0 Ų067.2 Ų67.20%034%0.339CS..Hα-helixtrans-60.1-43.6178.700000112.1A128 A140 Y141 V146 I147 L148 I164 I167 V168A128-A144 HydrophobicContact CB-CB 4.39Å; A140-A144 WeakPolarHBondContact O-CB 2.82Å; A140-A144 PolarHBondContact O-N 3.26Å; Y141-A144 PolarHBondContact O-N 3.36Å; A144-V146 PolarHBondContact O-N 2.92Å; A144-I147 PolarHBondContact O-N 3.42Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.23Å; A144-L148 PolarHBondContact O-N 3.28Å; A144-L148 VanDerWaalsContact O-N 3.12Å; A144-I164 HydrophobicContact CB-CG2 3.92Å; A144-I167 HydrophobicContact CB-CB 4.4Å; A144-I167 HydrophobicContact CB-CG2 3.88Å; A144-V168 HydrophobicContact CB-CG2 3.51Å
145T90.4Very high87.1Confident47 Ų4769.8 Ų69.829%0.28835%0.349SS..Hα-helixtrans-66.4-35.2176.952.80000112.9Y141 K142 W143 L148 V168Y141-T145 HydrophobicContact CD1-CG2 4.17Å; Y141-T145 HydrophobicContact CD2-CG2 4.28Å; Y141-T145 HydrophobicContact CE1-CG2 3.83Å; Y141-T145 HydrophobicContact CE2-CG2 4.01Å; Y141-T145 HydrophobicContact CG-CG2 4.4Å; Y141-T145 WeakPolarHBondContact O-CB 3.11Å; Y141-T145 WeakPolarHBondContact O-CG2 3.23Å; Y141-T145 PolarHBondContact O-N 3.24Å; Y141-T145 PolarHBondContact O-OG1 2.89Å; K142-T145 PolarHBondContact O-OG1 3Å; W143-T145 VanDerWaalsContact C-N 3.35Å; W143-T145 PolarHBondContact O-N 3.25Å; T145-L148 PolarHBondContact O-N 3.37Å; T145-V168 HydrophobicContact CG2-CG1 4.41Å; T145-V168 HydrophobicContact CG2-CG2 4.25Å
146V87.9Confident87.6Confident29 Ų2963.5 Ų63.518%0.17632%0.316CS..Hα-helixtrans-60.2-46.6174168.30000111.2F124 K142 W143 A144 L148 R149 Y152F124-V146 HydrophobicContact CD2-CG1 4.22Å; F124-V146 HydrophobicContact CE2-CG1 4.17Å; K142-V146 VanDerWaalsContact O-CG2 3.3Å; K142-V146 WeakPolarHBondContact O-CG2 3.31Å; K142-V146 PolarHBondContact O-N 3.24Å; W143-V146 PolarHBondContact O-N 3.14Å; A144-V146 PolarHBondContact O-N 2.92Å; V146-L148 VanDerWaalsContact C-N 3.33Å; V146-L148 PolarHBondContact O-N 3.5Å; V146-R149 WeakPolarHBondContact O-CB 3.48Å; V146-R149 VanDerWaalsContact O-CG 3.27Å; V146-R149 WeakPolarHBondContact O-CG 3.33Å; V146-R149 PolarHBondContact O-N 3.36Å; V146-Y152 HydrophobicContact CG1-CE2 4.41Å; V146-Y152 VanDerWaalsContact O-CD2 3.32Å; V146-Y152 WeakPolarHBondContact O-CD2 3.21Å
147I88.4Confident88Confident0 Ų065.2 Ų65.20%032%0.323CS..Hα-helixtrans-74.2-26.6-175.8-50.6155.3000111.7V121 F124 T125 A128 W143 A144 R149 Y152 R153 I156V121-I147 HydrophobicContact CG1-CG2 3.94Å; V121-I147 HydrophobicContact CG2-CG2 4.38Å; F124-I147 HydrophobicContact CB-CD1 3.42Å; F124-I147 VanDerWaalsContact CB-CD1 3.42Å; F124-I147 HydrophobicContact CB-CG1 3.34Å; F124-I147 HydrophobicContact CD2-CG1 4.23Å; F124-I147 HydrophobicContact CG-CG1 4.22Å; T125-I147 VanDerWaalsContact N-CD1 3.28Å; A128-I147 HydrophobicContact CB-CD1 4.49Å; W143-I147 WeakPolarHBondContact O-CD1 3.5Å; W143-I147 VanDerWaalsContact O-CG1 3.28Å; W143-I147 WeakPolarHBondContact O-CG1 3.35Å; W143-I147 PolarHBondContact O-N 2.9Å; A144-I147 PolarHBondContact O-N 3.42Å; I147-R149 PolarHBondContact O-N 3.02Å; I147-Y152 CarbonylContact O-C 3.51Å; I147-Y152 VanDerWaalsContact O-CB 3.31Å; I147-Y152 WeakPolarHBondContact O-CB 3.48Å; I147-R153 WeakPolarHBondContact O-CA 3.49Å; I147-R153 PolarHBondContact O-N 2.85Å; I147-R153 VanDerWaalsContact O-N 3.15Å; I147-I156 HydrophobicContact CB-CD1 4.45Å; I147-I156 HydrophobicContact CG2-CD1 3.58Å; I147-I156 HydrophobicContact CG2-CG1 3.5Å; I147-I156 VanDerWaalsContact CG2-CG1 3.5Å
148L91.4Very high88.3Confident40 Ų4068.5 Ų68.521%0.20934%0.338CS..THydrogen-bonded Turntrans-74.1-6.9176.1-72.1176.1000113.9A144 T145 V146 I156 I164 L165 V168A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.23Å; A144-L148 PolarHBondContact O-N 3.28Å; A144-L148 VanDerWaalsContact O-N 3.12Å; T145-L148 PolarHBondContact O-N 3.37Å; V146-L148 VanDerWaalsContact C-N 3.33Å; V146-L148 PolarHBondContact O-N 3.5Å; L148-I156 HydrophobicContact CD2-CD1 4.22Å; L148-I164 HydrophobicContact CD1-CG2 4.34Å; L148-I164 HydrophobicContact CD2-CG2 4.21Å; L148-I164 HydrophobicContact CG-CG2 4.07Å; L148-L165 HydrophobicContact CD1-CD2 4.08Å; L148-L165 HydrophobicContact CD2-CD2 3.89Å; L148-V168 HydrophobicContact CD1-CB 4.41Å; L148-V168 HydrophobicContact CD1-CG2 3.68Å
149R90.8Very high88.5Confident139 Ų13967.5 Ų67.553%0.52533%0.333SS..SBendtrans-61149.8172.5-64.4175.8-176.2-179.41.7110.8V146 I147 D151 Y152 R153V146-R149 WeakPolarHBondContact O-CB 3.48Å; V146-R149 VanDerWaalsContact O-CG 3.27Å; V146-R149 WeakPolarHBondContact O-CG 3.33Å; V146-R149 PolarHBondContact O-N 3.36Å; I147-R149 PolarHBondContact O-N 3.02Å; R149-D151 PolarHBondContact O-N 3.46Å; R149-D151 VanDerWaalsContact O-N 3.1Å; R149-Y152 HydrophobicContact CB-CD2 4.2Å; R149-Y152 PolarHBondContact O-N 3.18Å; R149-R153 VanDerWaalsContact O-CB 3.29Å; R149-R153 WeakPolarHBondContact O-CB 3.33Å; R149-R153 PolarHBondContact O-N 3.37Å
150P89Confident88.9Confident112 Ų11269.3 Ų69.373%0.72734%0.335SS*.Hα-helixtrans-52.1-37.2-176-27.935.5000114.5Y152P150-Y152 VanDerWaalsContact C-N 3.27Å; P150-Y152 PolarHBondContact O-N 3.29Å
151D86.1Confident89.2Confident119 Ų11973.1 Ų73.164%0.63635%0.349SS*.Hα-helixtrans-65.6-29-177.1-49.7-39000113.3R149R149-D151 PolarHBondContact O-N 3.46Å; R149-D151 VanDerWaalsContact O-N 3.1Å
152Y87.8Confident89.3Confident61 Ų6175.6 Ų75.624%0.23937%0.367CS..Hα-helixtrans-107.6-33.3-174.6-62.7-66000112.5V117 A120 V121 V146 I147 R149 P150 S154 Q155V117-Y152 HydrophobicContact CG1-CD1 3.54Å; V117-Y152 HydrophobicContact CG1-CE1 3.82Å; A120-Y152 HydrophobicContact CB-CE1 4.42Å; V121-Y152 HydrophobicContact CG2-CD1 3.77Å; V121-Y152 HydrophobicContact CG2-CG 4.23Å; V146-Y152 HydrophobicContact CG1-CE2 4.41Å; V146-Y152 VanDerWaalsContact O-CD2 3.32Å; V146-Y152 WeakPolarHBondContact O-CD2 3.21Å; I147-Y152 CarbonylContact O-C 3.51Å; I147-Y152 VanDerWaalsContact O-CB 3.31Å; I147-Y152 WeakPolarHBondContact O-CB 3.48Å; R149-Y152 HydrophobicContact CB-CD2 4.2Å; R149-Y152 PolarHBondContact O-N 3.18Å; P150-Y152 VanDerWaalsContact C-N 3.27Å; P150-Y152 PolarHBondContact O-N 3.29Å; Y152-S154 PolarHBondContact O-N 2.84Å; Y152-S154 VanDerWaalsContact O-N 3.12Å; Y152-Q155 PolarHBondContact O-N 2.88Å
153R87.9Confident89.6Confident135 Ų13574.2 Ų74.251%0.50937%0.366SS..Hα-helixtrans-58.9-31.4-169.1-177.1177.9175.1-176.8-1113.9I147 R149 Q155 I156 R161I147-R153 WeakPolarHBondContact O-CA 3.49Å; I147-R153 PolarHBondContact O-N 2.85Å; I147-R153 VanDerWaalsContact O-N 3.15Å; R149-R153 VanDerWaalsContact O-CB 3.29Å; R149-R153 WeakPolarHBondContact O-CB 3.33Å; R149-R153 PolarHBondContact O-N 3.37Å; R153-Q155 PolarHBondContact O-N 3.4Å; R153-I156 HydrophobicContact CG-CD1 4.31Å; R153-R161 PolarHBondContact O-NH1 3.07Å; R153-R161 PolarHBondContact O-NH2 3.49Å
154S89.4Confident89.8Confident88 Ų8872.9 Ų72.962%0.61536%0.361SS*.THydrogen-bonded Turntrans-64.8-30.2178.156.40000112.2Y152 R161Y152-S154 PolarHBondContact O-N 2.84Å; Y152-S154 VanDerWaalsContact O-N 3.12Å; S154-R161 PolarHBondContact O-NH2 3.23Å
155Q89.2Confident89.9Confident78 Ų7875.2 Ų75.236%0.36437%0.374SS..THydrogen-bonded Turntrans-940.4-174.5-57-170.844.200114.2S118 V121 Y152 R153 E157S118-Q155 VanDerWaalsContact CB-OE1 3.28Å; V121-Q155 HydrophobicContact CB-CB 4.46Å; V121-Q155 HydrophobicContact CG1-CB 4.46Å; V121-Q155 HydrophobicContact CG2-CB 4.12Å; Y152-Q155 PolarHBondContact O-N 2.88Å; R153-Q155 PolarHBondContact O-N 3.4Å; Q155-E157 PolarHBondContact O-N 3.05Å
156I89.2Confident90.1Very high5 Ų575.7 Ų75.73%0.02638%0.376CS..SBendtrans-66.6125.7175.2-52176.1000108.9V121 I147 L148 R153 R161V121-I156 HydrophobicContact CG1-CG1 4.12Å; I147-I156 HydrophobicContact CB-CD1 4.45Å; I147-I156 HydrophobicContact CG2-CD1 3.58Å; I147-I156 HydrophobicContact CG2-CG1 3.5Å; I147-I156 VanDerWaalsContact CG2-CG1 3.5Å; L148-I156 HydrophobicContact CD2-CD1 4.22Å; R153-I156 HydrophobicContact CG-CD1 4.31Å; I156-R161 HydrophobicContact CB-CG 4.02Å; I156-R161 HydrophobicContact CG2-CG 3.68Å; I156-R161 PolarHBondContact O-NE 3.03Å; I156-R161 VanDerWaalsContact O-NE 3.08Å; I156-R161 PolarHBondContact O-NH2 2.95Å
157E88.9Confident90.2Very high81 Ų8174.4 Ų74.438%0.37937%0.368SS..  trans-62.2138.3172.3-60.5176.4-166.800110.2K122 Q155 N159 Y160 R161K122-E157 WeakPolarHBondContact CE-OE1 3.37Å; Q155-E157 PolarHBondContact O-N 3.05Å; E157-N159 VanDerWaalsContact C-N 3.26Å; E157-N159 VanDerWaalsContact C-OD1 3.24Å; E157-N159 WeakPolarHBondContact CB-OD1 3.46Å; E157-N159 PolarHBondContact O-N 3.4Å; E157-N159 PolarHBondContact O-OD1 3.5Å; E157-Y160 HydrophobicContact CB-CD2 3.94Å; E157-Y160 HydrophobicContact CB-CE2 4.34Å; E157-Y160 PolarHBondContact O-N 2.99Å; E157-Y160 WeakPolarHBondContact OE2-CE2 3.43Å; E157-R161 PolarHBondContact O-N 3.33Å
158E89.6Confident90.4Very high168 Ų16875.4 Ų75.479%0.78538%0.375SS*.Hα-helixtrans-59.5-35.5-170.5-172170.9-169.800113.4Y160 R161E158-Y160 PolarHBondContact O-N 3.24Å; E158-R161 PolarHBondContact O-N 3.44Å
159N90Very high90.4Very high95 Ų9582.1 Ų82.151%0.50840%0.397SS..Hα-helixtrans-55-31.7173.959.4-17.4000113.9E157E157-N159 VanDerWaalsContact C-N 3.26Å; E157-N159 VanDerWaalsContact C-OD1 3.24Å; E157-N159 WeakPolarHBondContact CB-OD1 3.46Å; E157-N159 PolarHBondContact O-N 3.4Å; E157-N159 PolarHBondContact O-OD1 3.5Å
160Y91Very high90.3Very high75 Ų7581 Ų8129%0.29440%0.398SS..Hα-helixtrans-98.1-17.3-177.7-57.8-53.8000113.4T125 I129 E157 E158 N162 T163 I164T125-Y160 HydrophobicContact CG2-CD1 4.33Å; T125-Y160 HydrophobicContact CG2-CD2 3.67Å; T125-Y160 HydrophobicContact CG2-CE2 4.5Å; T125-Y160 HydrophobicContact CG2-CG 3.58Å; I129-Y160 HydrophobicContact CD1-CD1 3.48Å; I129-Y160 VanDerWaalsContact CD1-CD1 3.48Å; I129-Y160 HydrophobicContact CD1-CE1 4.08Å; I129-Y160 HydrophobicContact CD1-CG 4.06Å; E157-Y160 HydrophobicContact CB-CD2 3.94Å; E157-Y160 HydrophobicContact CB-CE2 4.34Å; E157-Y160 PolarHBondContact O-N 2.99Å; E157-Y160 WeakPolarHBondContact OE2-CE2 3.43Å; E158-Y160 PolarHBondContact O-N 3.24Å; Y160-N162 PolarHBondContact O-N 3.35Å; Y160-T163 PolarHBondContact O-N 2.99Å; Y160-I164 WeakPolarHBondContact O-CG1 3.19Å; Y160-I164 PolarHBondContact O-N 3.31Å
161R91.4Very high90Very high79 Ų7977.4 Ų77.430%0.29838%0.378SS..Hα-helixtrans-54.3-49.2-174.6-73.3-178.4-171.4-91.80.1112.4R153 S154 I156 E157 E158 I164 L165R153-R161 PolarHBondContact O-NH1 3.07Å; R153-R161 PolarHBondContact O-NH2 3.49Å; S154-R161 PolarHBondContact O-NH2 3.23Å; I156-R161 HydrophobicContact CB-CG 4.02Å; I156-R161 HydrophobicContact CG2-CG 3.68Å; I156-R161 PolarHBondContact O-NE 3.03Å; I156-R161 VanDerWaalsContact O-NE 3.08Å; I156-R161 PolarHBondContact O-NH2 2.95Å; E157-R161 PolarHBondContact O-N 3.33Å; E158-R161 PolarHBondContact O-N 3.44Å; R161-I164 PolarHBondContact O-N 3.32Å; R161-L165 WeakPolarHBondContact O-CG 3.49Å; R161-L165 PolarHBondContact O-N 2.79Å
162N92.6Very high89.1Confident120 Ų12079.2 Ų79.264%0.64239%0.387SS*.Hα-helixtrans-66-41-178.5-71.3-22.3000111.9Y160 I164 L165 T166Y160-N162 PolarHBondContact O-N 3.35Å; N162-I164 PolarHBondContact O-N 3.33Å; N162-L165 PolarHBondContact O-N 2.71Å; N162-T166 PolarHBondContact O-N 2.85Å; N162-T166 PolarHBondContact O-OG1 3.1Å
163T92.2Very high89.1Confident59 Ų5980.1 Ų80.136%0.36240%0.395SS..Hα-helixtrans-61.3-45.7176.5-52.60000111.5I129 Y160 L165 T166 I167I129-T163 HydrophobicContact CD1-CG2 4.46Å; I129-T163 HydrophobicContact CG1-CG2 4.05Å; Y160-T163 PolarHBondContact O-N 2.99Å; T163-L165 PolarHBondContact O-N 3.05Å; T163-T166 WeakPolarHBondContact O-CB 3.44Å; T163-T166 PolarHBondContact O-N 3.04Å; T163-I167 HydrophobicContact CG2-CD1 4.35Å; T163-I167 WeakPolarHBondContact O-CG1 3.41Å; T163-I167 PolarHBondContact O-N 3.44Å
164I92.4Very high89.2Confident0 Ų077.2 Ų77.20%039%0.389CS..Hα-helixtrans-63.1-42.8178.2-64.8-60.8000111.3T125 A128 I129 A144 L148 Y160 R161 N162 T166 I167 V168T125-I164 HydrophobicContact CG2-CD1 4.25Å; T125-I164 HydrophobicContact CG2-CG1 4.36Å; A128-I164 HydrophobicContact CB-CD1 3.77Å; I129-I164 HydrophobicContact CG1-CD1 4.08Å; A144-I164 HydrophobicContact CB-CG2 3.92Å; L148-I164 HydrophobicContact CD1-CG2 4.34Å; L148-I164 HydrophobicContact CD2-CG2 4.21Å; L148-I164 HydrophobicContact CG-CG2 4.07Å; Y160-I164 WeakPolarHBondContact O-CG1 3.19Å; Y160-I164 PolarHBondContact O-N 3.31Å; R161-I164 PolarHBondContact O-N 3.32Å; N162-I164 PolarHBondContact O-N 3.33Å; I164-T166 VanDerWaalsContact C-N 3.32Å; I164-T166 PolarHBondContact O-N 3.3Å; I164-I167 HydrophobicContact CD1-CD1 4.25Å; I164-I167 WeakPolarHBondContact O-CB 3.35Å; I164-I167 PolarHBondContact O-N 3.11Å; I164-V168 PolarHBondContact O-N 3.25Å
165L92.7Very high89.2Confident50 Ų5076.6 Ų76.626%0.26238%0.376SS..Hα-helixtrans-63.5-38175.9-70.4172.5000112.1L148 R161 N162 T163 V168 R169L148-L165 HydrophobicContact CD1-CD2 4.08Å; L148-L165 HydrophobicContact CD2-CD2 3.89Å; R161-L165 WeakPolarHBondContact O-CG 3.49Å; R161-L165 PolarHBondContact O-N 2.79Å; N162-L165 PolarHBondContact O-N 2.71Å; T163-L165 PolarHBondContact O-N 3.05Å; L165-V168 PolarHBondContact O-N 3.26Å; L165-R169 WeakPolarHBondContact O-CB 3.25Å; L165-R169 VanDerWaalsContact O-CG 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.45Å; L165-R169 PolarHBondContact O-N 3.29Å
166T93.6Very high89.2Confident57 Ų5776.5 Ų76.535%0.3538%0.377SS..Hα-helixtrans-63.2-43.4174.5-62.40000111.7N162 T163 I164 V168 R169 Q170N162-T166 PolarHBondContact O-N 2.85Å; N162-T166 PolarHBondContact O-OG1 3.1Å; T163-T166 WeakPolarHBondContact O-CB 3.44Å; T163-T166 PolarHBondContact O-N 3.04Å; I164-T166 VanDerWaalsContact C-N 3.32Å; I164-T166 PolarHBondContact O-N 3.3Å; T166-V168 VanDerWaalsContact C-N 3.31Å; T166-V168 PolarHBondContact O-N 3.34Å; T166-R169 PolarHBondContact O-N 3.24Å; T166-Q170 HydrophobicContact CG2-CG 4.14Å; T166-Q170 WeakPolarHBondContact O-CB 3.37Å; T166-Q170 WeakPolarHBondContact O-CG 3.34Å; T166-Q170 PolarHBondContact O-N 3.17Å
167I91.2Very high89.2Confident1 Ų181 Ų811%0.00540%0.399CS..Hα-helixtrans-56.1-46.6176.5-70.3167.9000111I129 W132 A140 A144 T163 I164 A171I129-I167 HydrophobicContact CG1-CD1 4.42Å; W132-I167 HydrophobicContact CB-CD1 3.74Å; W132-I167 HydrophobicContact CB-CG1 3.89Å; W132-I167 HydrophobicContact CD2-CB 4.41Å; W132-I167 HydrophobicContact CD2-CD1 4.5Å; W132-I167 HydrophobicContact CD2-CG1 3.66Å; W132-I167 HydrophobicContact CD2-CG2 4.46Å; W132-I167 HydrophobicContact CE3-CB 4.16Å; W132-I167 HydrophobicContact CE3-CG1 3.89Å; W132-I167 HydrophobicContact CE3-CG2 3.82Å; W132-I167 HydrophobicContact CG-CD1 4Å; W132-I167 HydrophobicContact CG-CG1 3.63Å; W132-I167 HydrophobicContact CZ3-CG2 4.36Å; A140-I167 HydrophobicContact CB-CG2 3.78Å; A144-I167 HydrophobicContact CB-CB 4.4Å; A144-I167 HydrophobicContact CB-CG2 3.88Å; T163-I167 HydrophobicContact CG2-CD1 4.35Å; T163-I167 WeakPolarHBondContact O-CG1 3.41Å; T163-I167 PolarHBondContact O-N 3.44Å; I164-I167 HydrophobicContact CD1-CD1 4.25Å; I164-I167 WeakPolarHBondContact O-CB 3.35Å; I164-I167 PolarHBondContact O-N 3.11Å; I167-A171 WeakPolarHBondContact O-CB 3.4Å; I167-A171 PolarHBondContact O-N 3.42Å
168V92.4Very high89.2Confident22 Ų2281 Ų8113%0.13340%0.4CS..Hα-helixtrans-66-44.7179.8177.60000111.3Y141 A144 T145 L148 I164 L165 T166 Q170 A171 D172Y141-V168 HydrophobicContact CD2-CG1 4.36Å; Y141-V168 HydrophobicContact CE2-CG1 3.86Å; A144-V168 HydrophobicContact CB-CG2 3.51Å; T145-V168 HydrophobicContact CG2-CG1 4.41Å; T145-V168 HydrophobicContact CG2-CG2 4.25Å; L148-V168 HydrophobicContact CD1-CB 4.41Å; L148-V168 HydrophobicContact CD1-CG2 3.68Å; I164-V168 PolarHBondContact O-N 3.25Å; L165-V168 PolarHBondContact O-N 3.26Å; T166-V168 VanDerWaalsContact C-N 3.31Å; T166-V168 PolarHBondContact O-N 3.34Å; V168-Q170 VanDerWaalsContact C-N 3.32Å; V168-Q170 PolarHBondContact O-N 3.47Å; V168-A171 PolarHBondContact O-N 3.38Å; V168-D172 PolarHBondContact O-N 3.38Å
169R91.6Very high89.2Confident181 Ų18174.8 Ų74.868%0.68337%0.372SS*.Hα-helixtrans-66.5-29-178.6-72.5170.9-180175.7-0.2114.6L165 T166L165-R169 WeakPolarHBondContact O-CB 3.25Å; L165-R169 VanDerWaalsContact O-CG 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.45Å; L165-R169 PolarHBondContact O-N 3.29Å; T166-R169 PolarHBondContact O-N 3.24Å
170Q89.2Confident89.1Confident115 Ų11573.2 Ų73.254%0.53736%0.362SS..Hα-helixtrans-93.3-13.4-176.5-71.4-176.5-26.900113.3W132 T166 V168W132-Q170 HydrophobicContact CH2-CB 3.55Å; W132-Q170 HydrophobicContact CZ2-CB 4.12Å; W132-Q170 HydrophobicContact CZ3-CB 4.43Å; T166-Q170 HydrophobicContact CG2-CG 4.14Å; T166-Q170 WeakPolarHBondContact O-CB 3.37Å; T166-Q170 WeakPolarHBondContact O-CG 3.34Å; T166-Q170 PolarHBondContact O-N 3.17Å; V168-Q170 VanDerWaalsContact C-N 3.32Å; V168-Q170 PolarHBondContact O-N 3.47Å
171A80.7Confident89Confident37 Ų3773.1 Ų73.131%0.30637%0.368SS..Hα-helixtrans-98.8-15.9177.700000113.5W132 Y141 I167 V168W132-A171 HydrophobicContact CZ3-CB 4.45Å; Y141-A171 HydrophobicContact CD2-CB 3.69Å; Y141-A171 HydrophobicContact CG-CB 4.14Å; I167-A171 WeakPolarHBondContact O-CB 3.4Å; I167-A171 PolarHBondContact O-N 3.42Å; V168-A171 PolarHBondContact O-N 3.38Å
172D67.8Low88.8Confident156 Ų15672.5 Ų72.583%0.83437%0.374SS*.  trans-730163-79.1-15.7000110.7Y141 V168Y141-D172 WeakPolarHBondContact CE2-OD1 3.41Å; Y141-D172 VanDerWaalsContact CZ-OD1 3.26Å; Y141-D172 PolarHBondContact OH-OD1 2.98Å; V168-D172 PolarHBondContact O-N 3.38Å

Retrieved 172 of 172 residues in 101.8 ms (Link to these results)

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