A0A077ZFJ9_TRITR Loading...

Receptor expression-enhancing protein

AlphaFold DB , UniProt , Accession A0A077ZFJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M63.3Low76.4Confident173 Ų173125.8 Ų125.885%0.85260%0.596SS**  0-22.50-151.9161.860.800112K5M1-K5 PolarHBondContact O-N 2.89Å
2D77.3Confident76.9Confident124 Ų124122.9 Ų122.966%0.66359%0.592SS**Hα-helixtrans-72.1-35.6-175.1-50.5-60.2000114.9Q4 K5 F6D2-Q4 PolarHBondContact O-N 3.19Å; D2-K5 PolarHBondContact O-N 3.35Å; D2-F6 VanDerWaalsContact O-CB 3.3Å; D2-F6 WeakPolarHBondContact O-CB 3.27Å; D2-F6 PolarHBondContact O-N 3.09Å
3K77.5Confident77.3Confident174 Ų174121.4 Ų121.476%0.75759%0.588SS**Hα-helixtrans-58.3-49.9177.7-70-169.8178.5-175.70111.1K5 F6 F7K3-K5 PolarHBondContact O-N 3.01Å; K3-F6 PolarHBondContact O-N 3.43Å; K3-F7 WeakPolarHBondContact O-CD2 3.2Å; K3-F7 PolarHBondContact O-N 3.44Å
4Q72.5Confident78.2Confident144 Ų144120.3 Ų120.367%0.67358%0.581SS**Hα-helixtrans-63.1-40.7-178.9-169.8174.2-4.900112.6D2 F7 I8D2-Q4 PolarHBondContact O-N 3.19Å; Q4-F7 PolarHBondContact O-N 3.42Å; Q4-I8 HydrophobicContact CG-CD1 4.2Å; Q4-I8 VanDerWaalsContact O-CG1 3.27Å; Q4-I8 WeakPolarHBondContact O-CG1 3.3Å; Q4-I8 PolarHBondContact O-N 2.86Å
5K71.9Confident78.7Confident131 Ų131121.7 Ų121.757%0.5758%0.583SS**Hα-helixtrans-63.5-41.9174.1-72-174.1177-175.70112.2M1 D2 K3 I8 S9M1-K5 PolarHBondContact O-N 2.89Å; D2-K5 PolarHBondContact O-N 3.35Å; K3-K5 PolarHBondContact O-N 3.01Å; K5-I8 PolarHBondContact O-N 3Å; K5-S9 PolarHBondContact O-N 3.5Å
6F77.7Confident79.1Confident125 Ų125122.9 Ų122.955%0.54859%0.585SS.*Hα-helixtrans-64.3-42.7177-178-101.5000112D2 K3 S9 R10D2-F6 VanDerWaalsContact O-CB 3.3Å; D2-F6 WeakPolarHBondContact O-CB 3.27Å; D2-F6 PolarHBondContact O-N 3.09Å; K3-F6 PolarHBondContact O-N 3.43Å; F6-S9 PolarHBondContact O-N 3.34Å; F6-R10 VanDerWaalsContact CE1-CD 3.48Å; F6-R10 HydrophobicContact CE1-CG 4.28Å; F6-R10 HydrophobicContact CZ-CG 4.31Å; F6-R10 WeakPolarHBondContact O-CG 3.46Å; F6-R10 PolarHBondContact O-N 3.46Å; F6-R10 VanDerWaalsContact O-N 3.09Å
7F75.9Confident79.5Confident129 Ų129123.1 Ų123.157%0.56658%0.579SS**Hα-helixtrans-59.8-50.3174-89.9-81.1000111.6K3 Q4 S9 R10 D11K3-F7 WeakPolarHBondContact O-CD2 3.2Å; K3-F7 PolarHBondContact O-N 3.44Å; Q4-F7 PolarHBondContact O-N 3.42Å; F7-S9 VanDerWaalsContact C-N 3.28Å; F7-S9 PolarHBondContact O-N 2.99Å; F7-R10 PolarHBondContact O-N 3.09Å; F7-R10 VanDerWaalsContact O-N 3.09Å; F7-D11 PolarHBondContact O-N 3.28Å
8I73.2Confident80.1Confident97 Ų97119.4 Ų119.450%0.49757%0.573SS.*Hα-helixtrans-57.5-42.1177.5-67.9167.2000111.2Q4 K5 R10 V12Q4-I8 HydrophobicContact CG-CD1 4.2Å; Q4-I8 VanDerWaalsContact O-CG1 3.27Å; Q4-I8 WeakPolarHBondContact O-CG1 3.3Å; Q4-I8 PolarHBondContact O-N 2.86Å; K5-I8 PolarHBondContact O-N 3Å; I8-R10 VanDerWaalsContact C-N 3.35Å; I8-R10 PolarHBondContact O-N 3.06Å; I8-V12 HydrophobicContact CG2-CG2 4.36Å; I8-V12 WeakPolarHBondContact O-CB 3.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.17Å; I8-V12 PolarHBondContact O-N 3.46Å
9S80.6Confident80.4Confident63 Ų63117.4 Ų117.444%0.44157%0.566SS.*Hα-helixtrans-64-39178.8-172.10000112.5K5 F6 F7 I13K5-S9 PolarHBondContact O-N 3.5Å; F6-S9 PolarHBondContact O-N 3.34Å; F7-S9 VanDerWaalsContact C-N 3.28Å; F7-S9 PolarHBondContact O-N 2.99Å; S9-I13 WeakPolarHBondContact O-CB 3.33Å; S9-I13 WeakPolarHBondContact O-CD1 3.44Å; S9-I13 WeakPolarHBondContact O-CG1 3.19Å; S9-I13 PolarHBondContact O-N 3.11Å; S9-I13 VanDerWaalsContact O-N 3.11Å
10R84.8Confident80.7Confident131 Ų131113.8 Ų113.849%0.49455%0.549SS..Hα-helixtrans-70-45.4178.7-70-169.673.1175.34.4111.6F6 F7 I8 V12 I13 E14F6-R10 VanDerWaalsContact CE1-CD 3.48Å; F6-R10 HydrophobicContact CE1-CG 4.28Å; F6-R10 HydrophobicContact CZ-CG 4.31Å; F6-R10 WeakPolarHBondContact O-CG 3.46Å; F6-R10 PolarHBondContact O-N 3.46Å; F6-R10 VanDerWaalsContact O-N 3.09Å; F7-R10 PolarHBondContact O-N 3.09Å; F7-R10 VanDerWaalsContact O-N 3.09Å; I8-R10 VanDerWaalsContact C-N 3.35Å; I8-R10 PolarHBondContact O-N 3.06Å; R10-V12 VanDerWaalsContact C-N 3.29Å; R10-V12 PolarHBondContact O-N 2.82Å; R10-I13 PolarHBondContact O-N 3.15Å; R10-I13 VanDerWaalsContact O-N 3.15Å; R10-E14 WeakPolarHBondContact O-CB 3.38Å; R10-E14 WeakPolarHBondContact O-CG 3.44Å; R10-E14 PolarHBondContact O-N 3.36Å
11D85.9Confident81Confident93 Ų93110.6 Ų110.650%0.49754%0.537SS..Hα-helixtrans-59.8-41178.3-64.6-34000111.5F7 E14 K15F7-D11 PolarHBondContact O-N 3.28Å; D11-E14 PolarHBondContact O-N 2.92Å; D11-K15 VanDerWaalsContact O-CB 3.29Å; D11-K15 WeakPolarHBondContact O-CB 3.32Å; D11-K15 PolarHBondContact O-N 2.9Å
12V82.8Confident82.2Confident91 Ų91109.5 Ų109.555%0.55253%0.527SS*.Hα-helixtrans-64.8-43.8176.1171.70000111.4I8 R10 F16I8-V12 HydrophobicContact CG2-CG2 4.36Å; I8-V12 WeakPolarHBondContact O-CB 3.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.17Å; I8-V12 PolarHBondContact O-N 3.46Å; R10-V12 VanDerWaalsContact C-N 3.29Å; R10-V12 PolarHBondContact O-N 2.82Å; V12-F16 VanDerWaalsContact O-CB 3.32Å; V12-F16 WeakPolarHBondContact O-CB 3.29Å; V12-F16 PolarHBondContact O-N 3.47Å
13I82.3Confident82.6Confident103 Ų103111.1 Ų111.153%0.52852%0.524SS..Hα-helixtrans-65.3-42.2177.7-70.4165.4000110.9S9 R10 F16 R17S9-I13 WeakPolarHBondContact O-CB 3.33Å; S9-I13 WeakPolarHBondContact O-CD1 3.44Å; S9-I13 WeakPolarHBondContact O-CG1 3.19Å; S9-I13 PolarHBondContact O-N 3.11Å; S9-I13 VanDerWaalsContact O-N 3.11Å; R10-I13 PolarHBondContact O-N 3.15Å; R10-I13 VanDerWaalsContact O-N 3.15Å; I13-F16 PolarHBondContact O-N 3.33Å; I13-R17 VanDerWaalsContact O-CB 3.31Å; I13-R17 WeakPolarHBondContact O-CB 3.31Å; I13-R17 PolarHBondContact O-N 2.83Å
14E88.6Confident82.9Confident106 Ų106103.2 Ų103.250%0.49549%0.49SS..Hα-helixtrans-67.1-42.6179.3-74.6179.3-173.300111.6R10 D11 R17 A18R10-E14 WeakPolarHBondContact O-CB 3.38Å; R10-E14 WeakPolarHBondContact O-CG 3.44Å; R10-E14 PolarHBondContact O-N 3.36Å; D11-E14 PolarHBondContact O-N 2.92Å; E14-R17 PolarHBondContact O-N 2.84Å; E14-A18 WeakPolarHBondContact O-CB 3.33Å; E14-A18 PolarHBondContact O-N 3.43Å
15K87Confident83.5Confident141 Ų141101 Ų10161%0.61348%0.479SS*.Hα-helixtrans-61.3-47.6173-176.1178.8178.5-179.30111.6D11 R17 A18 D19D11-K15 VanDerWaalsContact O-CB 3.29Å; D11-K15 WeakPolarHBondContact O-CB 3.32Å; D11-K15 PolarHBondContact O-N 2.9Å; K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 3.49Å; K15-A18 PolarHBondContact O-N 3.24Å; K15-D19 WeakPolarHBondContact O-CB 3.36Å; K15-D19 PolarHBondContact O-N 3.37Å
16F85.2Confident84.1Confident141 Ų14199 Ų9962%0.61847%0.472SS*.Hα-helixtrans-59.3-43.5176.6177.9-99.5000111.5V12 I13 D19 L20V12-F16 VanDerWaalsContact O-CB 3.32Å; V12-F16 WeakPolarHBondContact O-CB 3.29Å; V12-F16 PolarHBondContact O-N 3.47Å; I13-F16 PolarHBondContact O-N 3.33Å; F16-D19 PolarHBondContact O-N 3.32Å; F16-L20 HydrophobicContact CE1-CD2 4.26Å; F16-L20 VanDerWaalsContact O-CB 3.24Å; F16-L20 WeakPolarHBondContact O-CB 3.24Å; F16-L20 PolarHBondContact O-N 2.81Å
17R85.8Confident84.2Confident126 Ų126100.9 Ų100.948%0.47549%0.488SS..Hα-helixtrans-62.2-43.8175.3-174.3-179.1179.9-169.40.6111.2I13 E14 K15 L20 T21 V46I13-R17 VanDerWaalsContact O-CB 3.31Å; I13-R17 WeakPolarHBondContact O-CB 3.31Å; I13-R17 PolarHBondContact O-N 2.83Å; E14-R17 PolarHBondContact O-N 2.84Å; K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 3.49Å; R17-L20 PolarHBondContact O-N 2.84Å; R17-T21 WeakPolarHBondContact O-CB 3.4Å; R17-T21 PolarHBondContact O-N 3.31Å; R17-T21 PolarHBondContact O-OG1 3.27Å; R17-V46 HydrophobicContact CG-CG1 4.46Å
18A89.2Confident84.5Confident57 Ų5798.8 Ų98.847%0.47148%0.482SS..Hα-helixtrans-63.9-45.5178.700000111.9E14 K15 T21 K22E14-A18 WeakPolarHBondContact O-CB 3.33Å; E14-A18 PolarHBondContact O-N 3.43Å; K15-A18 PolarHBondContact O-N 3.24Å; A18-T21 PolarHBondContact O-N 2.86Å; A18-K22 WeakPolarHBondContact O-CB 3.17Å; A18-K22 PolarHBondContact O-N 3.38Å
19D86.8Confident85.2Confident82 Ų8297.8 Ų97.844%0.43949%0.489SS..Hα-helixtrans-63.8-41.9176.8-73.9-24.8000111.5K15 F16 K22 R23K15-D19 WeakPolarHBondContact O-CB 3.36Å; K15-D19 PolarHBondContact O-N 3.37Å; F16-D19 PolarHBondContact O-N 3.32Å; D19-K22 PolarHBondContact O-N 3.41Å; D19-R23 WeakPolarHBondContact O-CG 3.35Å; D19-R23 PolarHBondContact O-N 3.37Å
20L85.6Confident85.4Confident44 Ų44100.8 Ų100.823%0.2349%0.494CS..Hα-helixtrans-64-48.7175.7-176.163.6000110.9F16 R17 K22 R23 L24 V46F16-L20 HydrophobicContact CE1-CD2 4.26Å; F16-L20 VanDerWaalsContact O-CB 3.24Å; F16-L20 WeakPolarHBondContact O-CB 3.24Å; F16-L20 PolarHBondContact O-N 2.81Å; R17-L20 PolarHBondContact O-N 2.84Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.94Å; L20-R23 PolarHBondContact O-N 2.89Å; L20-L24 VanDerWaalsContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 PolarHBondContact O-N 3.28Å; L20-V46 HydrophobicContact CD2-CG1 4.18Å
21T87.6Confident85.4Confident48 Ų4894.9 Ų94.929%0.29447%0.473SS..Hα-helixtrans-55.9-46176.2-60.90000110.7R17 A18 L24 H25 V46R17-T21 WeakPolarHBondContact O-CB 3.4Å; R17-T21 PolarHBondContact O-N 3.31Å; R17-T21 PolarHBondContact O-OG1 3.27Å; A18-T21 PolarHBondContact O-N 2.86Å; T21-L24 PolarHBondContact O-N 2.91Å; T21-H25 PolarHBondContact O-N 3.48Å; T21-H25 PolarHBondContact O-ND1 2.99Å; T21-V46 WeakPolarHBondContact OG1-CG2 3.39Å
22K88.6Confident85.5Confident149 Ų14999.8 Ų99.865%0.64848%0.484SS*.Hα-helixtrans-57.7-52.4177.9-177.8-178.8177.3-1780111.2A18 D19 L20 L24 H25 E26A18-K22 WeakPolarHBondContact O-CB 3.17Å; A18-K22 PolarHBondContact O-N 3.38Å; D19-K22 PolarHBondContact O-N 3.41Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.94Å; K22-L24 PolarHBondContact O-N 3.41Å; K22-H25 PolarHBondContact O-N 3.2Å; K22-H25 VanDerWaalsContact O-N 3.15Å; K22-E26 PolarHBondContact O-N 3.43Å
23R84.5Confident85.8Confident159 Ų15999.5 Ų99.560%0.648%0.483SS*.Hα-helixtrans-61.6-32.5178.4-72.9-173.4178.9-139.1-0.7112.9D19 L20 H25 E26D19-R23 WeakPolarHBondContact O-CG 3.35Å; D19-R23 PolarHBondContact O-N 3.37Å; L20-R23 PolarHBondContact O-N 2.89Å; R23-H25 PolarHBondContact O-N 3.35Å; R23-E26 WeakPolarHBondContact O-CB 3.46Å; R23-E26 PolarHBondContact O-N 3.11Å
24L84.6Confident86.1Confident7 Ų795 Ų954%0.03746%0.459CS..Hα-helixtrans-77.2-12.6-178.8-148.956000114.3L20 T21 K22 F30 T31 L34 R45 V46 V49L20-L24 VanDerWaalsContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 PolarHBondContact O-N 3.28Å; T21-L24 PolarHBondContact O-N 2.91Å; K22-L24 PolarHBondContact O-N 3.41Å; L24-F30 HydrophobicContact CD1-CD1 4.47Å; L24-F30 HydrophobicContact CD1-CE1 3.92Å; L24-T31 WeakPolarHBondContact O-CB 3.29Å; L24-T31 WeakPolarHBondContact O-CG2 3.34Å; L24-L34 HydrophobicContact CD1-CD1 3.16Å; L24-L34 HydrophobicContact CD2-CD1 4.32Å; L24-L34 HydrophobicContact CG-CD1 3.75Å; L24-R45 HydrophobicContact CD2-CB 3.29Å; L24-R45 WeakPolarHBondContact CD2-O 3.49Å; L24-R45 HydrophobicContact CG-CB 3.73Å; L24-R45 PolarHBondContact O-NH1 3.28Å; L24-V46 HydrophobicContact CD2-CG2 4.24Å; L24-V49 HydrophobicContact CD1-CG2 3.87Å; L24-V49 HydrophobicContact CD2-CB 4.33Å; L24-V49 HydrophobicContact CD2-CG2 3.87Å; L24-V49 HydrophobicContact CG-CG2 4.48Å
25H84.5Confident86Confident97 Ų9790.3 Ų90.345%0.44944%0.44SS..THydrogen-bonded Turntrans-106.12173.2-68.581.3000112.7T21 K22 R23T21-H25 PolarHBondContact O-N 3.48Å; T21-H25 PolarHBondContact O-ND1 2.99Å; K22-H25 PolarHBondContact O-N 3.2Å; K22-H25 VanDerWaalsContact O-N 3.15Å; R23-H25 PolarHBondContact O-N 3.35Å
26E85.1Confident86.1Confident91 Ų9192.8 Ų92.843%0.42545%0.445SS..SBendtrans-67136.3169.7-72.4175.1-176.300110K22 R23 N28 T31K22-E26 PolarHBondContact O-N 3.43Å; R23-E26 WeakPolarHBondContact O-CB 3.46Å; R23-E26 PolarHBondContact O-N 3.11Å; E26-N28 PolarHBondContact O-N 3.11Å; E26-T31 VanDerWaalsContact O-CB 3.25Å; E26-T31 WeakPolarHBondContact O-CB 3.47Å; E26-T31 WeakPolarHBondContact O-CG2 3.37Å; E26-T31 PolarHBondContact O-OG1 3.33Å
27D80Confident86.3Confident164 Ų16489.2 Ų89.288%0.87743%0.432SS*.SBendtrans-68.297.7-177.7-78.6-40.4000111.7
28N81.8Confident86.6Confident84 Ų8484.9 Ų84.945%0.44942%0.417SS..SBendtrans-139.1158.9-178.2-73.1-49.9000109.7E26 F30 T31 R32E26-N28 PolarHBondContact O-N 3.11Å; N28-F30 PolarHBondContact O-N 3.49Å; N28-T31 HydrophobicContact CB-CG2 4.3Å; N28-T31 PolarHBondContact N-OG1 2.92Å; N28-T31 PolarHBondContact O-N 3.08Å; N28-T31 PolarHBondContact O-OG1 3.19Å; N28-R32 PolarHBondContact O-N 3.3Å; N28-R32 VanDerWaalsContact O-N 3.09Å
29A87.3Confident86.6Confident77 Ų7788.7 Ų88.764%0.63643%0.43SS*.Hα-helixtrans-55.2-38.9175.900000111.9V33A29-V33 PolarHBondContact O-N 2.93Å
30F84.6Confident86.9Confident126 Ų12690.6 Ų90.655%0.55344%0.444SS*.Hα-helixtrans-65.1-45.3177.1179.8-111.9000113.1L24 N28 R32 V33 L34 V49L24-F30 HydrophobicContact CD1-CD1 4.47Å; L24-F30 HydrophobicContact CD1-CE1 3.92Å; N28-F30 PolarHBondContact O-N 3.49Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 3.46Å; F30-V33 PolarHBondContact O-N 3.47Å; F30-V33 VanDerWaalsContact O-N 3.15Å; F30-L34 HydrophobicContact CD1-CD1 3.72Å; F30-L34 HydrophobicContact CD1-CG 4.43Å; F30-L34 HydrophobicContact CE1-CD1 3.27Å; F30-L34 HydrophobicContact CE1-CG 4.11Å; F30-L34 HydrophobicContact CE2-CD1 4.37Å; F30-L34 HydrophobicContact CE2-CG 4.39Å; F30-L34 HydrophobicContact CG-CD1 4.46Å; F30-L34 HydrophobicContact CZ-CD1 3.64Å; F30-L34 HydrophobicContact CZ-CD2 4.27Å; F30-L34 HydrophobicContact CZ-CG 4.08Å; F30-L34 PolarHBondContact O-N 2.94Å; F30-V49 HydrophobicContact CE1-CG2 4.42Å; F30-V49 HydrophobicContact CZ-CG2 4.26Å
31T85.3Confident87.1Confident7 Ų792.1 Ų92.14%0.04346%0.455CS..Hα-helixtrans-70.1-26.1-178.657.90000112.1L24 E26 N28 L34 G35L24-T31 WeakPolarHBondContact O-CB 3.29Å; L24-T31 WeakPolarHBondContact O-CG2 3.34Å; E26-T31 VanDerWaalsContact O-CB 3.25Å; E26-T31 WeakPolarHBondContact O-CB 3.47Å; E26-T31 WeakPolarHBondContact O-CG2 3.37Å; E26-T31 PolarHBondContact O-OG1 3.33Å; N28-T31 HydrophobicContact CB-CG2 4.3Å; N28-T31 PolarHBondContact N-OG1 2.92Å; N28-T31 PolarHBondContact O-N 3.08Å; N28-T31 PolarHBondContact O-OG1 3.19Å; T31-L34 PolarHBondContact O-N 3.34Å; T31-G35 PolarHBondContact O-N 3.07Å
32R88.6Confident87.1Confident195 Ų19593.2 Ų93.274%0.73648%0.476SS*.Hα-helixtrans-65.8-42.7169.2-166.8-174.7-57.9160.13.4112.6N28 F30 G35 R36N28-R32 PolarHBondContact O-N 3.3Å; N28-R32 VanDerWaalsContact O-N 3.09Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 3.46Å; R32-G35 PolarHBondContact O-N 2.88Å; R32-R36 PolarHBondContact O-N 2.84Å
33V88.6Confident87.2Confident85 Ų8589.1 Ų89.152%0.51546%0.463SS..Hα-helixtrans-64.1-44.7174.5178.40000109.9A29 F30 G35 R36 I37A29-V33 PolarHBondContact O-N 2.93Å; F30-V33 PolarHBondContact O-N 3.47Å; F30-V33 VanDerWaalsContact O-N 3.15Å; V33-G35 VanDerWaalsContact C-N 3.35Å; V33-G35 PolarHBondContact O-N 3.18Å; V33-R36 WeakPolarHBondContact O-CB 3.24Å; V33-R36 PolarHBondContact O-N 3.43Å; V33-R36 VanDerWaalsContact O-N 3.13Å; V33-I37 HydrophobicContact CG1-CD1 4.12Å; V33-I37 WeakPolarHBondContact O-CG1 3.48Å; V33-I37 PolarHBondContact O-N 3.03Å
34L88.6Confident87.4Confident8 Ų885.7 Ų85.74%0.04246%0.457CS..Hα-helixtrans-61.8-40.7176.6-71.2175.3000112.9L24 F30 T31 R36 I37 E38 R45 I48 V49L24-L34 HydrophobicContact CD1-CD1 3.16Å; L24-L34 HydrophobicContact CD2-CD1 4.32Å; L24-L34 HydrophobicContact CG-CD1 3.75Å; F30-L34 HydrophobicContact CD1-CD1 3.72Å; F30-L34 HydrophobicContact CD1-CG 4.43Å; F30-L34 HydrophobicContact CE1-CD1 3.27Å; F30-L34 HydrophobicContact CE1-CG 4.11Å; F30-L34 HydrophobicContact CE2-CD1 4.37Å; F30-L34 HydrophobicContact CE2-CG 4.39Å; F30-L34 HydrophobicContact CG-CD1 4.46Å; F30-L34 HydrophobicContact CZ-CD1 3.64Å; F30-L34 HydrophobicContact CZ-CD2 4.27Å; F30-L34 HydrophobicContact CZ-CG 4.08Å; F30-L34 PolarHBondContact O-N 2.94Å; T31-L34 PolarHBondContact O-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.47Å; L34-I37 PolarHBondContact O-N 2.88Å; L34-I37 VanDerWaalsContact O-N 3.17Å; L34-E38 WeakPolarHBondContact O-CB 3.31Å; L34-E38 PolarHBondContact O-N 3.41Å; L34-R45 HydrophobicContact CB-CB 4.48Å; L34-R45 HydrophobicContact CB-CG 4.14Å; L34-I48 HydrophobicContact CD2-CG2 4.1Å; L34-V49 HydrophobicContact CD1-CG2 3.77Å; L34-V49 HydrophobicContact CD2-CG2 3.95Å
35G87.2Confident87.6Confident8 Ų887.4 Ų87.48%0.08246%0.463CS..Hα-helixtrans-62.5-35.1174.100000112.6T31 R32 V33 N39T31-G35 PolarHBondContact O-N 3.07Å; R32-G35 PolarHBondContact O-N 2.88Å; V33-G35 VanDerWaalsContact C-N 3.35Å; V33-G35 PolarHBondContact O-N 3.18Å; G35-N39 WeakPolarHBondContact O-CB 3.47Å; G35-N39 PolarHBondContact O-N 2.84Å; G35-N39 PolarHBondContact O-ND2 3.24Å
36R89.1Confident87.8Confident194 Ų19483.7 Ų83.773%0.73245%0.447SS*.Hα-helixtrans-65.9-42.1172.3-175.8-179.5-76.6-179.9-5.1111.6R32 V33 L34 V40R32-R36 PolarHBondContact O-N 2.84Å; V33-R36 WeakPolarHBondContact O-CB 3.24Å; V33-R36 PolarHBondContact O-N 3.43Å; V33-R36 VanDerWaalsContact O-N 3.13Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.47Å; R36-V40 WeakPolarHBondContact O-CG2 3.32Å; R36-V40 PolarHBondContact O-N 2.98Å
37I89.6Confident88Confident66 Ų6684.6 Ų84.634%0.33845%0.45SS..Hα-helixtrans-66.4-47.1178.3-61.8168.5000109.9V33 L34 N39 V40 T41 I48V33-I37 HydrophobicContact CG1-CD1 4.12Å; V33-I37 WeakPolarHBondContact O-CG1 3.48Å; V33-I37 PolarHBondContact O-N 3.03Å; L34-I37 PolarHBondContact O-N 2.88Å; L34-I37 VanDerWaalsContact O-N 3.17Å; I37-N39 VanDerWaalsContact C-N 3.32Å; I37-N39 PolarHBondContact O-N 3.49Å; I37-V40 PolarHBondContact O-N 3.48Å; I37-T41 HydrophobicContact CG2-CG2 3.92Å; I37-T41 WeakPolarHBondContact O-CG2 3.36Å; I37-T41 PolarHBondContact O-N 2.88Å; I37-T41 PolarHBondContact O-OG1 3.5Å; I37-I48 HydrophobicContact CB-CD1 4.3Å; I37-I48 HydrophobicContact CG2-CD1 3.69Å; I37-I48 HydrophobicContact CG2-CG2 4.41Å
38E90.4Very high88.5Confident34 Ų3478.2 Ų78.216%0.15942%0.415CS..Hα-helixtrans-54.5-45.1175.6173.6177.2-12400111.9L34 V40 G42 R45L34-E38 WeakPolarHBondContact O-CB 3.31Å; L34-E38 PolarHBondContact O-N 3.41Å; E38-V40 PolarHBondContact O-N 2.86Å; E38-G42 VanDerWaalsContact O-CA 3.31Å; E38-G42 WeakPolarHBondContact O-CA 3.31Å; E38-G42 PolarHBondContact O-N 3.31Å; E38-R45 HydrophobicContact CB-CG 4.14Å; E38-R45 HydrophobicContact CG-CG 4.43Å; E38-R45 IonicContact OE1-NE 2.62Å; E38-R45 WeakPolarHBondContact OE2-CG 3.32Å; E38-R45 IonicContact OE2-CZ 3.98Å; E38-R45 VanDerWaalsContact OE2-CZ 3.31Å; E38-R45 IonicContact OE2-NE 3.01Å; E38-R45 PolarHBondContact OE2-NE 3.02Å; E38-R45 IonicContact OE2-NH2 3.31Å; E38-R45 PolarHBondContact OE2-NH2 3.29Å
39N90.1Very high88.9Confident138 Ų13875.3 Ų75.374%0.73840%0.4SS*.Hα-helixtrans-64.8-25.8177.2-73.3-21.9000113.7G35 I37G35-N39 WeakPolarHBondContact O-CB 3.47Å; G35-N39 PolarHBondContact O-N 2.84Å; G35-N39 PolarHBondContact O-ND2 3.24Å; I37-N39 VanDerWaalsContact C-N 3.32Å; I37-N39 PolarHBondContact O-N 3.49Å
40V92.6Very high89Confident121 Ų12174.3 Ų74.373%0.73339%0.389SS*.Hα-helixtrans-90.1-40.7179.9173.10000111.4R36 I37 E38R36-V40 WeakPolarHBondContact O-CG2 3.32Å; R36-V40 PolarHBondContact O-N 2.98Å; I37-V40 PolarHBondContact O-N 3.48Å; E38-V40 PolarHBondContact O-N 2.86Å
41T89.8Confident89.4Confident77 Ų7770.2 Ų70.247%0.47238%0.382SS..Hα-helixtrans-90.1-22.1-175.462.40000113.4I37 V43I37-T41 HydrophobicContact CG2-CG2 3.92Å; I37-T41 WeakPolarHBondContact O-CG2 3.36Å; I37-T41 PolarHBondContact O-N 2.88Å; I37-T41 PolarHBondContact O-OG1 3.5Å; T41-V43 PolarHBondContact O-N 3.33Å; T41-V43 PolarHBondContact OG1-N 2.82Å
42G88.6Confident89.7Confident71 Ų7174.3 Ų74.373%0.73241%0.407SS*.  trans69.612.3-171.800000114.1E38E38-G42 VanDerWaalsContact O-CA 3.31Å; E38-G42 WeakPolarHBondContact O-CA 3.31Å; E38-G42 PolarHBondContact O-N 3.31Å
43V89.3Confident89.8Confident63 Ų6370.1 Ų70.138%0.38240%0.397SS..  trans-103.2133.8-177.9179.10000110T41 R45 F47 I48T41-V43 PolarHBondContact O-N 3.33Å; T41-V43 PolarHBondContact OG1-N 2.82Å; V43-R45 PolarHBondContact O-N 3.28Å; V43-F47 HydrophobicContact CG1-CB 3.68Å; V43-I48 HydrophobicContact CB-CD1 4.48Å; V43-I48 HydrophobicContact CB-CG1 4.3Å; V43-I48 HydrophobicContact CG1-CG1 4.12Å; V43-I48 VanDerWaalsContact O-CD1 3.31Å; V43-I48 WeakPolarHBondContact O-CD1 3.36Å
44D89.1Confident90Very high86 Ų8668.9 Ų68.946%0.4640%0.396SS..  trans-54.3141.1177.7-63.4-46000111.4V46 F47 I48D44-V46 PolarHBondContact O-N 3.38Å; D44-F47 HydrophobicContact CB-CD2 3.93Å; D44-F47 PolarHBondContact O-N 3.01Å; D44-I48 PolarHBondContact O-N 2.84Å
45R88.7Confident90.2Very high43 Ų4371.3 Ų71.316%0.16242%0.417CS..Hα-helixtrans-51.7-34.6178.2-54.6179.2-169.8178.26.1113.2L24 L34 E38 V43 F47 I48 V49L24-R45 HydrophobicContact CD2-CB 3.29Å; L24-R45 WeakPolarHBondContact CD2-O 3.49Å; L24-R45 HydrophobicContact CG-CB 3.73Å; L24-R45 PolarHBondContact O-NH1 3.28Å; L34-R45 HydrophobicContact CB-CB 4.48Å; L34-R45 HydrophobicContact CB-CG 4.14Å; E38-R45 HydrophobicContact CB-CG 4.14Å; E38-R45 HydrophobicContact CG-CG 4.43Å; E38-R45 IonicContact OE1-NE 2.62Å; E38-R45 WeakPolarHBondContact OE2-CG 3.32Å; E38-R45 IonicContact OE2-CZ 3.98Å; E38-R45 VanDerWaalsContact OE2-CZ 3.31Å; E38-R45 IonicContact OE2-NE 3.01Å; E38-R45 PolarHBondContact OE2-NE 3.02Å; E38-R45 IonicContact OE2-NH2 3.31Å; E38-R45 PolarHBondContact OE2-NH2 3.29Å; V43-R45 PolarHBondContact O-N 3.28Å; R45-F47 PolarHBondContact O-N 2.87Å; R45-I48 PolarHBondContact O-N 2.86Å; R45-V49 WeakPolarHBondContact O-CG2 3.49Å; R45-V49 PolarHBondContact O-N 3.4Å
46V89Confident90.3Very high19 Ų1974 Ų7412%0.11543%0.426CS..Hα-helixtrans-61.8-44.2179.8177.30000111.1R17 L20 T21 L24 D44 S50R17-V46 HydrophobicContact CG-CG1 4.46Å; L20-V46 HydrophobicContact CD2-CG1 4.18Å; T21-V46 WeakPolarHBondContact OG1-CG2 3.39Å; L24-V46 HydrophobicContact CD2-CG2 4.24Å; D44-V46 PolarHBondContact O-N 3.38Å; V46-S50 VanDerWaalsContact O-CB 3.24Å; V46-S50 WeakPolarHBondContact O-CB 3.25Å; V46-S50 PolarHBondContact O-N 2.92Å; V46-S50 PolarHBondContact O-OG 3.17Å
47F90.3Very high90.3Very high111 Ų11166 Ų6649%0.48740%0.401SS..Hα-helixtrans-67.8-41.9177.9-70.7-68.1000111V43 D44 R45 V49 S50 G51V43-F47 HydrophobicContact CG1-CB 3.68Å; D44-F47 HydrophobicContact CB-CD2 3.93Å; D44-F47 PolarHBondContact O-N 3.01Å; R45-F47 PolarHBondContact O-N 2.87Å; F47-V49 PolarHBondContact O-N 3.45Å; F47-S50 WeakPolarHBondContact CA-OG 3.39Å; F47-S50 PolarHBondContact O-N 3.5Å; F47-S50 PolarHBondContact O-OG 2.96Å; F47-G51 PolarHBondContact O-N 2.86Å
48I90.4Very high90.4Very high30 Ų3067.5 Ų67.515%0.15441%0.41CS..Hα-helixtrans-57.2-52.5175.9-63.4165.9000110.4L34 I37 V43 D44 R45 S50 G51 V52L34-I48 HydrophobicContact CD2-CG2 4.1Å; I37-I48 HydrophobicContact CB-CD1 4.3Å; I37-I48 HydrophobicContact CG2-CD1 3.69Å; I37-I48 HydrophobicContact CG2-CG2 4.41Å; V43-I48 HydrophobicContact CB-CD1 4.48Å; V43-I48 HydrophobicContact CB-CG1 4.3Å; V43-I48 HydrophobicContact CG1-CG1 4.12Å; V43-I48 VanDerWaalsContact O-CD1 3.31Å; V43-I48 WeakPolarHBondContact O-CD1 3.36Å; D44-I48 PolarHBondContact O-N 2.84Å; R45-I48 PolarHBondContact O-N 2.86Å; I48-S50 PolarHBondContact O-N 2.79Å; I48-G51 PolarHBondContact O-N 3.34Å; I48-V52 WeakPolarHBondContact O-CG2 3.21Å; I48-V52 PolarHBondContact O-N 2.9Å
49V90.7Very high90.3Very high22 Ų2270.5 Ų70.513%0.13342%0.42CS..Hα-helixtrans-64.2-42.4179.3170.60000111.5L24 F30 L34 R45 F47 G51 V52 M53L24-V49 HydrophobicContact CD1-CG2 3.87Å; L24-V49 HydrophobicContact CD2-CB 4.33Å; L24-V49 HydrophobicContact CD2-CG2 3.87Å; L24-V49 HydrophobicContact CG-CG2 4.48Å; F30-V49 HydrophobicContact CE1-CG2 4.42Å; F30-V49 HydrophobicContact CZ-CG2 4.26Å; L34-V49 HydrophobicContact CD1-CG2 3.77Å; L34-V49 HydrophobicContact CD2-CG2 3.95Å; R45-V49 WeakPolarHBondContact O-CG2 3.49Å; R45-V49 PolarHBondContact O-N 3.4Å; F47-V49 PolarHBondContact O-N 3.45Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 3.37Å; V49-V52 PolarHBondContact O-N 3.29Å; V49-M53 HydrophobicContact CG1-CG 4.16Å; V49-M53 WeakPolarHBondContact O-CB 3.47Å; V49-M53 VanDerWaalsContact O-CG 3.25Å; V49-M53 WeakPolarHBondContact O-CG 3.46Å; V49-M53 PolarHBondContact O-N 3.44Å
50S89.1Confident90.2Very high57 Ų5764 Ų6440%0.39939%0.386SS..Hα-helixtrans-61.5-38.9177.474.10000111.9V46 F47 I48 M53 A54V46-S50 VanDerWaalsContact O-CB 3.24Å; V46-S50 WeakPolarHBondContact O-CB 3.25Å; V46-S50 PolarHBondContact O-N 2.92Å; V46-S50 PolarHBondContact O-OG 3.17Å; F47-S50 WeakPolarHBondContact CA-OG 3.39Å; F47-S50 PolarHBondContact O-N 3.5Å; F47-S50 PolarHBondContact O-OG 2.96Å; I48-S50 PolarHBondContact O-N 2.79Å; S50-M53 PolarHBondContact O-N 3.47Å; S50-A54 WeakPolarHBondContact O-CB 3.45Å; S50-A54 PolarHBondContact O-N 3.42Å
51G92.2Very high89.9Confident39 Ų3961 Ų6140%0.40237%0.365SS..Hα-helixtrans-67.1-43.9175.800000112.4F47 I48 V49 A54 A55F47-G51 PolarHBondContact O-N 2.86Å; I48-G51 PolarHBondContact O-N 3.34Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 3.37Å; G51-A54 PolarHBondContact O-N 3.36Å; G51-A55 WeakPolarHBondContact O-CB 3.3Å; G51-A55 PolarHBondContact O-N 2.84Å
52V92.6Very high89.5Confident93 Ų9363.7 Ų63.756%0.56438%0.375SS*.Hα-helixtrans-62-44.5175.11720000110.8I48 V49 A54 A55 F56I48-V52 WeakPolarHBondContact O-CG2 3.21Å; I48-V52 PolarHBondContact O-N 2.9Å; V49-V52 PolarHBondContact O-N 3.29Å; V52-A54 PolarHBondContact O-N 2.75Å; V52-A55 PolarHBondContact O-N 3.2Å; V52-F56 VanDerWaalsContact O-CB 3.3Å; V52-F56 WeakPolarHBondContact O-CB 3.35Å; V52-F56 PolarHBondContact O-N 2.85Å
53M90.7Very high89.1Confident107 Ų10761.3 Ų61.353%0.52735%0.351SS..Hα-helixtrans-63-41.5176.8-72.4-62-61.400111.8V49 S50 F56 A57V49-M53 HydrophobicContact CG1-CG 4.16Å; V49-M53 WeakPolarHBondContact O-CB 3.47Å; V49-M53 VanDerWaalsContact O-CG 3.25Å; V49-M53 WeakPolarHBondContact O-CG 3.46Å; V49-M53 PolarHBondContact O-N 3.44Å; S50-M53 PolarHBondContact O-N 3.47Å; M53-F56 PolarHBondContact O-N 2.77Å; M53-A57 WeakPolarHBondContact O-CB 3.25Å; M53-A57 PolarHBondContact O-N 2.62Å
54A91.9Very high88.6Confident60 Ų6062.7 Ų62.750%0.49636%0.363SS..Hα-helixtrans-66.9-42.717700000112.1S50 G51 V52 F56 A57 L58S50-A54 WeakPolarHBondContact O-CB 3.45Å; S50-A54 PolarHBondContact O-N 3.42Å; G51-A54 PolarHBondContact O-N 3.36Å; V52-A54 PolarHBondContact O-N 2.75Å; A54-F56 VanDerWaalsContact C-N 3.34Å; A54-A57 PolarHBondContact O-N 3.35Å; A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 PolarHBondContact O-N 2.8Å
55A92.7Very high88.3Confident59 Ų5965.8 Ų65.849%0.48837%0.372SS..Hα-helixtrans-63.6-40.6175.200000111.6G51 V52 L58 Y59G51-A55 WeakPolarHBondContact O-CB 3.3Å; G51-A55 PolarHBondContact O-N 2.84Å; V52-A55 PolarHBondContact O-N 3.2Å; A55-L58 PolarHBondContact O-N 3.02Å; A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 PolarHBondContact O-N 2.82Å
56F90.1Very high88Confident64 Ų6463.8 Ų63.828%0.28137%0.365SS..Hα-helixtrans-65.5-43.6174.9-175.7-105.4000111.9V52 M53 A54 L58 Y59 L60 F129V52-F56 VanDerWaalsContact O-CB 3.3Å; V52-F56 WeakPolarHBondContact O-CB 3.35Å; V52-F56 PolarHBondContact O-N 2.85Å; M53-F56 PolarHBondContact O-N 2.77Å; A54-F56 VanDerWaalsContact C-N 3.34Å; F56-L58 VanDerWaalsContact C-N 3.31Å; F56-L58 PolarHBondContact O-N 3.25Å; F56-Y59 WeakPolarHBondContact O-CB 3.39Å; F56-Y59 PolarHBondContact O-N 3.24Å; F56-L60 HydrophobicContact CD1-CD1 4.14Å; F56-L60 HydrophobicContact CD1-CG 4.44Å; F56-L60 HydrophobicContact CE1-CD1 3.67Å; F56-L60 HydrophobicContact CE1-CD2 4.44Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 4.23Å; F56-L60 HydrophobicContact CZ-CD2 4.17Å; F56-L60 HydrophobicContact CZ-CG 4.25Å; F56-L60 WeakPolarHBondContact O-CG 3.31Å; F56-L60 PolarHBondContact O-N 2.63Å; F56-F129 HydrophobicContact CE1-CD1 4.39Å; F56-F129 HydrophobicContact CE1-CD2 4.31Å; F56-F129 AromaticContact CE1-CE1 3.82Å; F56-F129 HydrophobicContact CE1-CE1 3.82Å; F56-F129 AromaticContact CE1-CE2 3.73Å; F56-F129 HydrophobicContact CE1-CE2 3.73Å; F56-F129 AromaticContact CE1-CZ 3.49Å; F56-F129 HydrophobicContact CE1-CZ 3.49Å; F56-F129 VanDerWaalsContact CE1-CZ 3.49Å; F56-F129 AromaticContact CZ-CE2 3.95Å; F56-F129 HydrophobicContact CZ-CE2 3.95Å; F56-F129 HydrophobicContact CZ-CZ 4.09Å
57A89.3Confident87.7Confident25 Ų2566.5 Ų66.521%0.20738%0.377CS..Hα-helixtrans-61-40.6174.300000112M53 A54 L60 I61 L126M53-A57 WeakPolarHBondContact O-CB 3.25Å; M53-A57 PolarHBondContact O-N 2.62Å; A54-A57 PolarHBondContact O-N 3.35Å; A57-L60 PolarHBondContact O-N 2.8Å; A57-I61 WeakPolarHBondContact O-CG1 2.99Å; A57-I61 PolarHBondContact O-N 3.49Å; A57-L126 HydrophobicContact CB-CD1 3.77Å; A57-L126 HydrophobicContact CB-CD2 4.47Å
58L90.2Very high87.6Confident98 Ų9865.3 Ų65.351%0.51338%0.375SS..Hα-helixtrans-65.7-40.1174.7-175.563.1000111.8A54 A55 F56 L60 I61 I62A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 PolarHBondContact O-N 2.8Å; A55-L58 PolarHBondContact O-N 3.02Å; F56-L58 VanDerWaalsContact C-N 3.31Å; F56-L58 PolarHBondContact O-N 3.25Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.43Å; L58-I61 WeakPolarHBondContact O-CB 3.45Å; L58-I61 PolarHBondContact O-N 3.37Å; L58-I61 VanDerWaalsContact O-N 3.08Å; L58-I62 HydrophobicContact CD1-CD1 3.62Å; L58-I62 HydrophobicContact CD1-CG1 4.31Å; L58-I62 HydrophobicContact CG-CD1 4.13Å; L58-I62 PolarHBondContact O-N 2.77Å; L58-I62 VanDerWaalsContact O-N 3.11Å
59Y89.6Confident87.3Confident98 Ų9866.5 Ų66.538%0.38438%0.381SS..Hα-helixtrans-61.9-37.7173.2174.5-102.7000111.9A55 F56 I61 I62 G63 S64 M69A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 PolarHBondContact O-N 2.82Å; F56-Y59 WeakPolarHBondContact O-CB 3.39Å; F56-Y59 PolarHBondContact O-N 3.24Å; Y59-I61 PolarHBondContact O-N 3.39Å; Y59-I62 PolarHBondContact O-N 3.18Å; Y59-G63 WeakPolarHBondContact O-CA 3.49Å; Y59-G63 PolarHBondContact O-N 2.9Å; Y59-S64 PolarHBondContact OH-O 3.21Å; Y59-M69 HydrophobicContact CE1-CG 4.07Å
60L87.3Confident87Confident1 Ų165.5 Ų65.51%0.00537%0.374CS..Hα-helixtrans-65.8-23.2174.1-69.2179.3000113.2F56 A57 L58 A66 M69 Y125 L126 F129F56-L60 HydrophobicContact CD1-CD1 4.14Å; F56-L60 HydrophobicContact CD1-CG 4.44Å; F56-L60 HydrophobicContact CE1-CD1 3.67Å; F56-L60 HydrophobicContact CE1-CD2 4.44Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 4.23Å; F56-L60 HydrophobicContact CZ-CD2 4.17Å; F56-L60 HydrophobicContact CZ-CG 4.25Å; F56-L60 WeakPolarHBondContact O-CG 3.31Å; F56-L60 PolarHBondContact O-N 2.63Å; A57-L60 PolarHBondContact O-N 2.8Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.43Å; L60-A66 HydrophobicContact CD2-CB 4.14Å; L60-M69 HydrophobicContact CD2-CB 3.96Å; L60-Y125 WeakPolarHBondContact O-CB 3.26Å; L60-L126 HydrophobicContact CD1-CD1 4.21Å; L60-F129 HydrophobicContact CD1-CB 3.68Å; L60-F129 HydrophobicContact CD1-CD1 3.98Å; L60-F129 HydrophobicContact CD1-CD2 3.99Å; L60-F129 HydrophobicContact CD1-CG 3.63Å
61I85.6Confident86.9Confident58 Ų5865.5 Ų65.530%0.29737%0.37SS..Hα-helixtrans-83-41178.9-67.7165.1000111.7A57 L58 Y59 P122 V123 L126A57-I61 WeakPolarHBondContact O-CG1 2.99Å; A57-I61 PolarHBondContact O-N 3.49Å; L58-I61 WeakPolarHBondContact O-CB 3.45Å; L58-I61 PolarHBondContact O-N 3.37Å; L58-I61 VanDerWaalsContact O-N 3.08Å; Y59-I61 PolarHBondContact O-N 3.39Å; I61-P122 WeakPolarHBondContact CA-O 3.43Å; I61-P122 HydrophobicContact CG2-CB 4.17Å; I61-P122 WeakPolarHBondContact CG2-O 3.41Å; I61-V123 HydrophobicContact CD1-CG1 4.31Å; I61-V123 HydrophobicContact CG1-CG1 4.38Å; I61-L126 HydrophobicContact CD1-CD2 4.12Å; I61-L126 HydrophobicContact CG1-CB 4.38Å; I61-L126 HydrophobicContact CG1-CD2 4.44Å
62I82.9Confident86.7Confident133 Ų13367.6 Ų67.668%0.68237%0.371SS*.Hα-helixtrans-110.8-24.8-168.5-52175.8000112.3L58 Y59L58-I62 HydrophobicContact CD1-CD1 3.62Å; L58-I62 HydrophobicContact CD1-CG1 4.31Å; L58-I62 HydrophobicContact CG-CD1 4.13Å; L58-I62 PolarHBondContact O-N 2.77Å; L58-I62 VanDerWaalsContact O-N 3.11Å; Y59-I62 PolarHBondContact O-N 3.18Å
63G80.4Confident86.4Confident22 Ų2264 Ų6423%0.22735%0.352CS..  trans-78140.6-16800000113.9Y59Y59-G63 WeakPolarHBondContact O-CA 3.49Å; Y59-G63 PolarHBondContact O-N 2.9Å
64S77.3Confident86.1Confident91 Ų9159 Ų5964%0.63633%0.327SS*.THydrogen-bonded Turntrans-60.6147.8161.9-51.20000109.9Y59Y59-S64 PolarHBondContact OH-O 3.21Å
65F82.7Confident86Confident151 Ų15161.6 Ų61.666%0.66233%0.328SS*.THydrogen-bonded Turntrans72.113.4-178.5-48.8-81.8000116.6Q67 L68 M69F65-Q67 PolarHBondContact O-N 3.3Å; F65-L68 HydrophobicContact CB-CB 4.28Å; F65-L68 WeakPolarHBondContact O-CB 3.39Å; F65-L68 PolarHBondContact O-N 3.2Å; F65-M69 PolarHBondContact O-N 3Å; F65-M69 VanDerWaalsContact O-N 3.13Å
66A84Confident85.8Confident1 Ų161.4 Ų61.41%0.00833%0.326CS..Hα-helixtrans-54.8-35.9173.300000112.8L60 L68 M69 C70 Y125L60-A66 HydrophobicContact CD2-CB 4.14Å; A66-L68 PolarHBondContact O-N 2.88Å; A66-M69 PolarHBondContact O-N 3.41Å; A66-C70 PolarHBondContact O-N 3.45Å; A66-C70 PolarHBondContact O-SG 3.17Å; A66-Y125 HydrophobicContact CB-CD1 4.07Å; A66-Y125 HydrophobicContact CB-CD2 3.7Å; A66-Y125 HydrophobicContact CB-CE2 4.29Å; A66-Y125 HydrophobicContact CB-CG 3.57Å
67Q82.5Confident85.6Confident76 Ų7664 Ų6436%0.35533%0.334SS..Hα-helixtrans-58.8-44173.1-170.6172.28.300112.6F65 C70 N71 E115 Y125F65-Q67 PolarHBondContact O-N 3.3Å; Q67-C70 PolarHBondContact O-N 3.44Å; Q67-N71 WeakPolarHBondContact O-CB 3.18Å; Q67-N71 PolarHBondContact O-N 3.01Å; Q67-N71 PolarHBondContact O-OD1 2.69Å; Q67-E115 PolarHBondContact NE2-OE1 2.88Å; Q67-Y125 HydrophobicContact CB-CD1 4.39Å; Q67-Y125 HydrophobicContact CB-CE1 3.57Å; Q67-Y125 HydrophobicContact CG-CE1 4.18Å
68L86.5Confident85.5Confident87 Ų8762.8 Ų62.846%0.45532%0.324SS..Hα-helixtrans-63.7-43177.6-178.566.2000110.6F65 A66 C70 N71 L72F65-L68 HydrophobicContact CB-CB 4.28Å; F65-L68 WeakPolarHBondContact O-CB 3.39Å; F65-L68 PolarHBondContact O-N 3.2Å; A66-L68 PolarHBondContact O-N 2.88Å; L68-C70 PolarHBondContact O-N 2.82Å; L68-N71 PolarHBondContact O-N 3.42Å; L68-L72 HydrophobicContact CD1-CD1 4.38Å; L68-L72 HydrophobicContact CD1-CG 4.3Å; L68-L72 HydrophobicContact CG-CD1 4.02Å; L68-L72 HydrophobicContact CG-CG 4.35Å; L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 VanDerWaalsContact O-CG 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.19Å; L68-L72 PolarHBondContact O-N 3Å
69M85.4Confident85.5Confident55 Ų5559.3 Ų59.327%0.27131%0.31SS..Hα-helixtrans-61.6-43176.9-66.7-60.5105.100112.1Y59 L60 F65 A66 L72 A73Y59-M69 HydrophobicContact CE1-CG 4.07Å; L60-M69 HydrophobicContact CD2-CB 3.96Å; F65-M69 PolarHBondContact O-N 3Å; F65-M69 VanDerWaalsContact O-N 3.13Å; A66-M69 PolarHBondContact O-N 3.41Å; M69-L72 HydrophobicContact CE-CD1 3.82Å; M69-L72 PolarHBondContact O-N 3.13Å; M69-A73 WeakPolarHBondContact O-CB 3.25Å; M69-A73 PolarHBondContact O-N 3.19Å
70C85.2Confident85.5Confident0 Ų061.6 Ų61.60%032%0.319CS..Hα-helixtrans-62.8-46.3175.5-64.30000111.5A66 Q67 L68 L72 A73 G74 Y125 K128 L132A66-C70 PolarHBondContact O-N 3.45Å; A66-C70 PolarHBondContact O-SG 3.17Å; Q67-C70 PolarHBondContact O-N 3.44Å; L68-C70 PolarHBondContact O-N 2.82Å; C70-L72 PolarHBondContact O-N 3.07Å; C70-A73 PolarHBondContact O-N 2.94Å; C70-G74 PolarHBondContact O-N 3.45Å; C70-Y125 PolarHBondContact SG-O 3.48Å; C70-Y125 VanDerWaalsContact SG-O 3.36Å; C70-K128 HydrophobicContact CB-CD 3.86Å; C70-K128 HydrophobicContact CB-CG 4.26Å; C70-L132 HydrophobicContact CB-CD1 4.2Å; C70-L132 VanDerWaalsContact O-CD1 3.23Å; C70-L132 WeakPolarHBondContact O-CD1 3.26Å
71N85.8Confident85.4Confident58 Ų5862.1 Ų62.131%0.3132%0.323SS..Hα-helixtrans-63.9-42.4179.6-69.5-4.5000111.3Q67 L68 G74 F75 K128Q67-N71 WeakPolarHBondContact O-CB 3.18Å; Q67-N71 PolarHBondContact O-N 3.01Å; Q67-N71 PolarHBondContact O-OD1 2.69Å; L68-N71 PolarHBondContact O-N 3.42Å; N71-G74 PolarHBondContact O-N 2.94Å; N71-F75 WeakPolarHBondContact O-CB 3.4Å; N71-F75 PolarHBondContact O-N 3.18Å; N71-K128 PolarHBondContact OD1-NZ 2.86Å
72L88Confident85.5Confident82 Ų8260.2 Ų60.243%0.42932%0.315SS..Hα-helixtrans-63-41174.9-73.3174.3000111.7L68 M69 C70 F75 A76L68-L72 HydrophobicContact CD1-CD1 4.38Å; L68-L72 HydrophobicContact CD1-CG 4.3Å; L68-L72 HydrophobicContact CG-CD1 4.02Å; L68-L72 HydrophobicContact CG-CG 4.35Å; L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 VanDerWaalsContact O-CG 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.19Å; L68-L72 PolarHBondContact O-N 3Å; M69-L72 HydrophobicContact CE-CD1 3.82Å; M69-L72 PolarHBondContact O-N 3.13Å; C70-L72 PolarHBondContact O-N 3.07Å; L72-F75 PolarHBondContact O-N 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 3.38Å
73A85.6Confident85.8Confident19 Ų1960 Ų6016%0.15731%0.306CS..Hα-helixtrans-66.5-42.8176.800000112.5M69 C70 F75 F129 Y136M69-A73 WeakPolarHBondContact O-CB 3.25Å; M69-A73 PolarHBondContact O-N 3.19Å; C70-A73 PolarHBondContact O-N 2.94Å; A73-F75 VanDerWaalsContact C-N 3.26Å; A73-F75 PolarHBondContact O-N 3.38Å; A73-F129 HydrophobicContact CB-CD2 3.93Å; A73-F129 HydrophobicContact CB-CE2 3.39Å; A73-F129 HydrophobicContact CB-CZ 4.2Å; A73-Y136 WeakPolarHBondContact O-CE1 3.33Å
74G84.6Confident86Confident0 Ų065.4 Ų65.40%032%0.324CS..Hα-helixtrans-70.5-18.5175.400000114.2C70 N71 P78 Y100C70-G74 PolarHBondContact O-N 3.45Å; N71-G74 PolarHBondContact O-N 2.94Å; G74-P78 WeakPolarHBondContact O-CG 3.47Å; G74-Y100 PolarHBondContact O-OH 3.31Å
75F89.6Confident86.5Confident116 Ų11661.2 Ų61.251%0.50930%0.295SS..Hα-helixtrans-104.5-51.9-176.8-179.6-96.3000113.3N71 L72 A73 Y77 P78 A79 W101N71-F75 WeakPolarHBondContact O-CB 3.4Å; N71-F75 PolarHBondContact O-N 3.18Å; L72-F75 PolarHBondContact O-N 3.23Å; A73-F75 VanDerWaalsContact C-N 3.26Å; A73-F75 PolarHBondContact O-N 3.38Å; F75-Y77 PolarHBondContact O-N 2.85Å; F75-P78 WeakPolarHBondContact O-CD 3.33Å; F75-A79 HydrophobicContact CD1-CB 4.24Å; F75-A79 HydrophobicContact CE1-CB 3.95Å; F75-A79 HydrophobicContact CE2-CB 4.23Å; F75-A79 HydrophobicContact CG-CB 4.5Å; F75-A79 HydrophobicContact CZ-CB 3.94Å; F75-A79 WeakPolarHBondContact O-CA 3.38Å; F75-A79 WeakPolarHBondContact O-CB 3.09Å; F75-A79 PolarHBondContact O-N 2.86Å; F75-W101 AromaticContact CD2-CH2 3.59Å; F75-W101 HydrophobicContact CD2-CH2 3.59Å; F75-W101 HydrophobicContact CD2-CZ3 4.06Å; F75-W101 AromaticContact CE2-CH2 3.91Å; F75-W101 HydrophobicContact CE2-CH2 3.91Å; F75-W101 HydrophobicContact CE2-CZ3 4.5Å; F75-W101 HydrophobicContact CG-CH2 4.46Å
76A88.7Confident86.6Confident54 Ų5459.1 Ų59.145%0.44629%0.294SS..Hα-helixtrans-63-50.5-162.500000113.5L72 Y80L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 3.38Å; A76-Y80 WeakPolarHBondContact O-CB 3.27Å; A76-Y80 PolarHBondContact O-N 3.46Å
77Y86.4Confident86.8Confident118 Ų11865.2 Ų65.246%0.46332%0.323SS..Hα-helixtrans-69.4-49.8179.7175.5-97.7000112.1F75 A79 Y80 A81 W97 Y136F75-Y77 PolarHBondContact O-N 2.85Å; Y77-A79 VanDerWaalsContact C-N 3.31Å; Y77-A79 PolarHBondContact O-N 3.26Å; Y77-Y80 PolarHBondContact O-N 3.49Å; Y77-A81 WeakPolarHBondContact O-CB 3.33Å; Y77-A81 PolarHBondContact O-N 2.73Å; Y77-W97 HydrophobicContact CE1-CH2 4.08Å; Y77-Y136 AromaticContact CD1-CD2 3.64Å; Y77-Y136 HydrophobicContact CD1-CD2 3.64Å; Y77-Y136 AromaticContact CD1-CE2 3.79Å; Y77-Y136 HydrophobicContact CD1-CE2 3.79Å; Y77-Y136 HydrophobicContact CD1-CG 4.39Å; Y77-Y136 HydrophobicContact CE1-CD2 4.02Å; Y77-Y136 HydrophobicContact CE1-CE2 4.41Å; Y77-Y136 HydrophobicContact CG-CE2 4.46Å
78P86.8Confident86.8Confident0 Ų063.8 Ų63.80%032%0.321CS..Hα-helixtrans-60.4-36.6175.7-2737.8000113.6G74 F75 A81 S82 W97 Y100 W101 Y136G74-P78 WeakPolarHBondContact O-CG 3.47Å; F75-P78 WeakPolarHBondContact O-CD 3.33Å; P78-A81 PolarHBondContact O-N 3.48Å; P78-S82 VanDerWaalsContact O-CB 3.23Å; P78-S82 WeakPolarHBondContact O-CB 3.4Å; P78-S82 PolarHBondContact O-N 3.29Å; P78-S82 PolarHBondContact O-OG 2.62Å; P78-W97 HydrophobicContact CB-CE3 4.2Å; P78-W97 HydrophobicContact CB-CZ3 3.98Å; P78-W97 HydrophobicContact CG-CZ3 4.5Å; P78-Y100 HydrophobicContact CB-CD1 3.72Å; P78-Y100 HydrophobicContact CB-CE1 3.3Å; P78-Y100 HydrophobicContact CG-CD1 4.26Å; P78-Y100 HydrophobicContact CG-CE1 3.51Å; P78-Y100 HydrophobicContact CG-CE2 4.3Å; P78-W101 HydrophobicContact CB-CZ2 4.19Å; P78-Y136 HydrophobicContact CG-CD1 3.92Å; P78-Y136 HydrophobicContact CG-CG 4.06Å
79A90.2Very high86.5Confident25 Ų2565.5 Ų65.521%0.20734%0.34CS..Hα-helixtrans-64.7-45.4175.700000111.6F75 Y77 A81 S82 Y83 W101F75-A79 HydrophobicContact CD1-CB 4.24Å; F75-A79 HydrophobicContact CE1-CB 3.95Å; F75-A79 HydrophobicContact CE2-CB 4.23Å; F75-A79 HydrophobicContact CG-CB 4.5Å; F75-A79 HydrophobicContact CZ-CB 3.94Å; F75-A79 WeakPolarHBondContact O-CA 3.38Å; F75-A79 WeakPolarHBondContact O-CB 3.09Å; F75-A79 PolarHBondContact O-N 2.86Å; Y77-A79 VanDerWaalsContact C-N 3.31Å; Y77-A79 PolarHBondContact O-N 3.26Å; A79-A81 PolarHBondContact O-N 3.27Å; A79-S82 PolarHBondContact O-N 3.05Å; A79-Y83 WeakPolarHBondContact O-CB 3.39Å; A79-Y83 PolarHBondContact O-N 3.2Å; A79-W101 HydrophobicContact CB-CH2 4.38Å; A79-W101 HydrophobicContact CB-CZ2 4.14Å
80Y89.5Confident86.2Confident147 Ų14766.4 Ų66.458%0.57635%0.346SS*.Hα-helixtrans-61.5-43.8174.8175.1-102.6000112.1A76 Y77 Y83 K84A76-Y80 WeakPolarHBondContact O-CB 3.27Å; A76-Y80 PolarHBondContact O-N 3.46Å; Y77-Y80 PolarHBondContact O-N 3.49Å; Y80-Y83 WeakPolarHBondContact O-CB 3.36Å; Y80-Y83 PolarHBondContact O-N 3.35Å; Y80-K84 PolarHBondContact O-N 2.91Å
81A86.3Confident85.9Confident12 Ų1272.3 Ų72.310%0.09937%0.372CS..Hα-helixtrans-70-35.3179.800000112.5Y77 P78 A79 K84 A85 W97Y77-A81 WeakPolarHBondContact O-CB 3.33Å; Y77-A81 PolarHBondContact O-N 2.73Å; P78-A81 PolarHBondContact O-N 3.48Å; A79-A81 PolarHBondContact O-N 3.27Å; A81-K84 PolarHBondContact O-N 3.37Å; A81-A85 WeakPolarHBondContact O-CB 3.37Å; A81-A85 PolarHBondContact O-N 3.26Å; A81-W97 HydrophobicContact CB-CD2 4.07Å; A81-W97 VanDerWaalsContact CB-CE2 3.49Å; A81-W97 HydrophobicContact CB-CE3 4.22Å; A81-W97 HydrophobicContact CB-CH2 3.35Å; A81-W97 HydrophobicContact CB-CZ2 3.14Å; A81-W97 HydrophobicContact CB-CZ3 3.89Å
82S88.1Confident85.3Confident18 Ų1877 Ų7713%0.12639%0.389CS..Hα-helixtrans-64.4-43.1172-57.10000111.3P78 A79 K84 A85 V86 W97 W101P78-S82 VanDerWaalsContact O-CB 3.23Å; P78-S82 WeakPolarHBondContact O-CB 3.4Å; P78-S82 PolarHBondContact O-N 3.29Å; P78-S82 PolarHBondContact O-OG 2.62Å; A79-S82 PolarHBondContact O-N 3.05Å; S82-K84 VanDerWaalsContact C-N 3.32Å; S82-K84 PolarHBondContact O-N 3.26Å; S82-A85 PolarHBondContact O-N 2.93Å; S82-V86 VanDerWaalsContact O-CG2 3.29Å; S82-V86 WeakPolarHBondContact O-CG2 3.42Å; S82-V86 PolarHBondContact O-N 3.36Å; S82-W97 WeakPolarHBondContact OG-CB 3.5Å; S82-W101 PolarHBondContact OG-NE1 3.4Å
83Y88Confident84.7Confident127 Ų12776.7 Ų76.750%0.49839%0.388SS..Hα-helixtrans-57.2-46.7174.1165.1-106.9000111.2A79 Y80 A85 V86 E87A79-Y83 WeakPolarHBondContact O-CB 3.39Å; A79-Y83 PolarHBondContact O-N 3.2Å; Y80-Y83 WeakPolarHBondContact O-CB 3.36Å; Y80-Y83 PolarHBondContact O-N 3.35Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.13Å; Y83-V86 PolarHBondContact O-N 2.97Å; Y83-E87 HydrophobicContact CE2-CG 3.99Å; Y83-E87 WeakPolarHBondContact CE2-OE1 3.43Å; Y83-E87 PolarHBondContact O-N 3.48Å; Y83-E87 VanDerWaalsContact O-N 3.11Å; Y83-E87 PolarHBondContact OH-OE1 3.23Å; Y83-E87 PolarHBondContact OH-OE2 3.46Å
84K85.9Confident84.5Confident137 Ų13777.8 Ų77.860%0.59639%0.391SS*.Hα-helixtrans-63.6-37.3176.6-169.2179.3179.7-176.50112.8Y80 A81 S82 E87 S88Y80-K84 PolarHBondContact O-N 2.91Å; A81-K84 PolarHBondContact O-N 3.37Å; S82-K84 VanDerWaalsContact C-N 3.32Å; S82-K84 PolarHBondContact O-N 3.26Å; K84-E87 PolarHBondContact O-N 3.46Å; K84-S88 WeakPolarHBondContact O-CB 3.49Å; K84-S88 PolarHBondContact O-N 2.88Å; K84-S88 VanDerWaalsContact O-N 3.08Å
85A86Confident84.3Confident3 Ų382.4 Ų82.43%0.02542%0.42CS..Hα-helixtrans-66.4-41.9175.800000111.6A81 S82 Y83 E87 S88 D93 W97A81-A85 WeakPolarHBondContact O-CB 3.37Å; A81-A85 PolarHBondContact O-N 3.26Å; S82-A85 PolarHBondContact O-N 2.93Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.13Å; A85-E87 VanDerWaalsContact C-N 3.31Å; A85-E87 PolarHBondContact O-N 3.34Å; A85-S88 WeakPolarHBondContact O-CB 2.95Å; A85-S88 PolarHBondContact O-N 3Å; A85-S88 VanDerWaalsContact O-N 3.07Å; A85-D93 HydrophobicContact CB-CB 3.97Å; A85-W97 VanDerWaalsContact CB-CD1 3.5Å
86V86.7Confident83.8Confident107 Ų10781.3 Ų81.365%0.64842%0.416SS*.Hα-helixtrans-61.1-38.3176.5169.70000112.2S82 Y83S82-V86 VanDerWaalsContact O-CG2 3.29Å; S82-V86 WeakPolarHBondContact O-CG2 3.42Å; S82-V86 PolarHBondContact O-N 3.36Å; Y83-V86 PolarHBondContact O-N 2.97Å
87E86.4Confident83.6Confident129 Ų12979.9 Ų79.960%0.60340%0.399SS*.Hα-helixtrans-79.9-15.7176.2-68.1-163.8159.800113.9Y83 K84 A85Y83-E87 HydrophobicContact CE2-CG 3.99Å; Y83-E87 WeakPolarHBondContact CE2-OE1 3.43Å; Y83-E87 PolarHBondContact O-N 3.48Å; Y83-E87 VanDerWaalsContact O-N 3.11Å; Y83-E87 PolarHBondContact OH-OE1 3.23Å; Y83-E87 PolarHBondContact OH-OE2 3.46Å; K84-E87 PolarHBondContact O-N 3.46Å; A85-E87 VanDerWaalsContact C-N 3.31Å; A85-E87 PolarHBondContact O-N 3.34Å
88S82.9Confident83.6Confident45 Ų4580.1 Ų80.132%0.31541%0.408SS..  trans-74143.6177.8-1760000111.4K84 A85 D90K84-S88 WeakPolarHBondContact O-CB 3.49Å; K84-S88 PolarHBondContact O-N 2.88Å; K84-S88 VanDerWaalsContact O-N 3.08Å; A85-S88 WeakPolarHBondContact O-CB 2.95Å; A85-S88 PolarHBondContact O-N 3Å; A85-S88 VanDerWaalsContact O-N 3.07Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact OG-N 2.97Å; S88-D90 VanDerWaalsContact OG-N 3.13Å
89S80.1Confident83.4Confident123 Ų12381.3 Ų81.386%0.8642%0.415SS*.SBendtrans-73.5-22.3169.4-42.60000112.2
90D79.7Confident83.2Confident74 Ų7480.3 Ų80.340%0.39641%0.406SS..  trans-83.3120.5178.7-165.2-14000110.6S88 K92S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact OG-N 2.97Å; S88-D90 VanDerWaalsContact OG-N 3.13Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 WeakPolarHBondContact OD1-CB 3.45Å; D90-K92 WeakPolarHBondContact OD1-CD 3.03Å; D90-K92 WeakPolarHBondContact OD1-CG 3.46Å; D90-K92 PolarHBondContact OD1-N 3.2Å; D90-K92 IonicContact OD2-NZ 2.93Å
91K78Confident83.1Confident124 Ų12476.7 Ų76.754%0.53939%0.391SS..THydrogen-bonded Turntrans-85.1-1.3-178.1-63.7-60.7-178.9-164.90114.5D93 D94K91-D93 VanDerWaalsContact C-N 3.28Å; K91-D93 PolarHBondContact O-N 3.29Å; K91-D94 WeakPolarHBondContact CD-OD2 3.37Å; K91-D94 WeakPolarHBondContact CE-OD2 3.33Å; K91-D94 IonicContact NZ-OD2 2.82Å; K91-D94 PolarHBondContact NZ-OD2 3.32Å; K91-D94 PolarHBondContact O-N 3.28Å
92K74.7Confident83.1Confident157 Ų15779.4 Ų79.468%0.68341%0.407SS*.Hα-helixtrans-61.7-38.2179.3-72.4171.7-168.3163.80112.3D90D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 WeakPolarHBondContact OD1-CB 3.45Å; D90-K92 WeakPolarHBondContact OD1-CD 3.03Å; D90-K92 WeakPolarHBondContact OD1-CG 3.46Å; D90-K92 PolarHBondContact OD1-N 3.2Å; D90-K92 IonicContact OD2-NZ 2.93Å
93D75.3Confident83Confident76 Ų7678.5 Ų78.541%0.40640%0.401SS..Hα-helixtrans-79.7-25-175.8-63.7-8.5000112.3A85 K91 T95 Q96 W97A85-D93 HydrophobicContact CB-CB 3.97Å; K91-D93 VanDerWaalsContact C-N 3.28Å; K91-D93 PolarHBondContact O-N 3.29Å; D93-T95 VanDerWaalsContact C-N 3.32Å; D93-T95 PolarHBondContact O-N 3.47Å; D93-Q96 WeakPolarHBondContact O-CB 3.13Å; D93-Q96 PolarHBondContact O-N 3.08Å; D93-Q96 VanDerWaalsContact O-N 3.17Å; D93-W97 PolarHBondContact O-N 3.15Å
94D81.2Confident82.9Confident41 Ų4173.6 Ų73.622%0.21938%0.382CS..Hα-helixtrans-57.4-44.5-179.4-73.71.2000111.5K91 Q96 W97 L98K91-D94 WeakPolarHBondContact CD-OD2 3.37Å; K91-D94 WeakPolarHBondContact CE-OD2 3.33Å; K91-D94 IonicContact NZ-OD2 2.82Å; K91-D94 PolarHBondContact NZ-OD2 3.32Å; K91-D94 PolarHBondContact O-N 3.28Å; D94-Q96 VanDerWaalsContact C-N 3.29Å; D94-Q96 PolarHBondContact O-N 3.12Å; D94-W97 PolarHBondContact O-N 3.07Å; D94-L98 WeakPolarHBondContact O-CB 3.01Å; D94-L98 PolarHBondContact O-N 2.94Å
95T79.5Confident83Confident98 Ų9869.7 Ų69.760%0.60138%0.375SS*.Hα-helixtrans-62.8-38.5-178.6-580000111.4D93 T99D93-T95 VanDerWaalsContact C-N 3.32Å; D93-T95 PolarHBondContact O-N 3.47Å; T95-T99 VanDerWaalsContact O-CB 3.24Å; T95-T99 WeakPolarHBondContact O-CB 3.41Å; T95-T99 PolarHBondContact O-N 3.45Å; T95-T99 PolarHBondContact O-OG1 3.04Å
96Q79.6Confident83Confident92 Ų9272.9 Ų72.943%0.4339%0.388SS..Hα-helixtrans-65.3-49.4179.6177.6179.8-12.400111.1D93 D94 T99 Y100D93-Q96 WeakPolarHBondContact O-CB 3.13Å; D93-Q96 PolarHBondContact O-N 3.08Å; D93-Q96 VanDerWaalsContact O-N 3.17Å; D94-Q96 VanDerWaalsContact C-N 3.29Å; D94-Q96 PolarHBondContact O-N 3.12Å; Q96-T99 PolarHBondContact O-N 2.83Å; Q96-Y100 PolarHBondContact O-N 3.45Å
97W85.3Confident82.8Confident24 Ų2469 Ų699%0.09136%0.364CS..Hα-helixtrans-69.6-38.7-177.9-63.8114.4000112Y77 P78 A81 S82 A85 D93 D94 T99 Y100 W101Y77-W97 HydrophobicContact CE1-CH2 4.08Å; P78-W97 HydrophobicContact CB-CE3 4.2Å; P78-W97 HydrophobicContact CB-CZ3 3.98Å; P78-W97 HydrophobicContact CG-CZ3 4.5Å; A81-W97 HydrophobicContact CB-CD2 4.07Å; A81-W97 VanDerWaalsContact CB-CE2 3.49Å; A81-W97 HydrophobicContact CB-CE3 4.22Å; A81-W97 HydrophobicContact CB-CH2 3.35Å; A81-W97 HydrophobicContact CB-CZ2 3.14Å; A81-W97 HydrophobicContact CB-CZ3 3.89Å; S82-W97 WeakPolarHBondContact OG-CB 3.5Å; A85-W97 VanDerWaalsContact CB-CD1 3.5Å; D93-W97 PolarHBondContact O-N 3.15Å; D94-W97 PolarHBondContact O-N 3.07Å; W97-T99 VanDerWaalsContact C-N 3.34Å; W97-T99 PolarHBondContact O-N 3.33Å; W97-Y100 WeakPolarHBondContact O-CB 3.31Å; W97-Y100 PolarHBondContact O-N 3Å; W97-W101 PolarHBondContact O-N 2.57Å
98L85Confident82.7Confident124 Ų12465.1 Ų65.165%0.64935%0.347SS*.Hα-helixtrans-63.6-41.9174.9-137.173000111.5D94 Y100 W101 V102D94-L98 WeakPolarHBondContact O-CB 3.01Å; D94-L98 PolarHBondContact O-N 2.94Å; L98-Y100 VanDerWaalsContact C-N 3.34Å; L98-Y100 PolarHBondContact O-N 3.46Å; L98-W101 PolarHBondContact O-N 2.95Å; L98-V102 WeakPolarHBondContact O-CG2 3.12Å; L98-V102 PolarHBondContact O-N 2.94Å
99T82.9Confident82.8Confident25 Ų2568 Ų6815%0.15336%0.362CS..Hα-helixtrans-60.2-44.9174.1-60.40000111.1T95 Q96 W97 W101 V102 V103 Y147T95-T99 VanDerWaalsContact O-CB 3.24Å; T95-T99 WeakPolarHBondContact O-CB 3.41Å; T95-T99 PolarHBondContact O-N 3.45Å; T95-T99 PolarHBondContact O-OG1 3.04Å; Q96-T99 PolarHBondContact O-N 2.83Å; W97-T99 VanDerWaalsContact C-N 3.34Å; W97-T99 PolarHBondContact O-N 3.33Å; T99-W101 PolarHBondContact O-N 3.49Å; T99-V102 PolarHBondContact O-N 3.07Å; T99-V103 HydrophobicContact CG2-CG2 4.47Å; T99-V103 WeakPolarHBondContact O-CB 3.48Å; T99-V103 VanDerWaalsContact O-CG2 3.28Å; T99-V103 WeakPolarHBondContact O-CG2 3.25Å; T99-V103 PolarHBondContact O-N 2.93Å; T99-Y147 HydrophobicContact CG2-CD1 4.27Å; T99-Y147 HydrophobicContact CG2-CD2 3.72Å; T99-Y147 HydrophobicContact CG2-CE2 4.49Å; T99-Y147 HydrophobicContact CG2-CG 3.59Å
100Y85.4Confident83Confident4 Ų465.6 Ų65.62%0.01634%0.342CS..Hα-helixtrans-56.3-50.1174.6172.6-93.6000111.4G74 P78 Q96 W97 L98 V102 V103 F104 L135 Y136 A143G74-Y100 PolarHBondContact O-OH 3.31Å; P78-Y100 HydrophobicContact CB-CD1 3.72Å; P78-Y100 HydrophobicContact CB-CE1 3.3Å; P78-Y100 HydrophobicContact CG-CD1 4.26Å; P78-Y100 HydrophobicContact CG-CE1 3.51Å; P78-Y100 HydrophobicContact CG-CE2 4.3Å; Q96-Y100 PolarHBondContact O-N 3.45Å; W97-Y100 WeakPolarHBondContact O-CB 3.31Å; W97-Y100 PolarHBondContact O-N 3Å; L98-Y100 VanDerWaalsContact C-N 3.34Å; L98-Y100 PolarHBondContact O-N 3.46Å; Y100-V102 PolarHBondContact O-N 3.48Å; Y100-V103 PolarHBondContact O-N 3.49Å; Y100-F104 HydrophobicContact CE1-CB 4.16Å; Y100-F104 HydrophobicContact CE1-CG 4.33Å; Y100-F104 WeakPolarHBondContact O-CB 3.43Å; Y100-F104 PolarHBondContact O-N 3.09Å; Y100-L135 HydrophobicContact CD2-CB 4.26Å; Y100-L135 HydrophobicContact CE2-CB 3.82Å; Y100-Y136 HydrophobicContact CE2-CD1 4.21Å; Y100-Y136 HydrophobicContact CE2-CG 4.49Å; Y100-A143 HydrophobicContact CD2-CB 4.13Å
101W89.3Confident83.1Confident70 Ų7063.5 Ų63.527%0.26533%0.33SS..Hα-helixtrans-63.4-38.8-179-73.4115.6000113.1F75 P78 A79 S82 W97 L98 T99 F104 A105F75-W101 AromaticContact CD2-CH2 3.59Å; F75-W101 HydrophobicContact CD2-CH2 3.59Å; F75-W101 HydrophobicContact CD2-CZ3 4.06Å; F75-W101 AromaticContact CE2-CH2 3.91Å; F75-W101 HydrophobicContact CE2-CH2 3.91Å; F75-W101 HydrophobicContact CE2-CZ3 4.5Å; F75-W101 HydrophobicContact CG-CH2 4.46Å; P78-W101 HydrophobicContact CB-CZ2 4.19Å; A79-W101 HydrophobicContact CB-CH2 4.38Å; A79-W101 HydrophobicContact CB-CZ2 4.14Å; S82-W101 PolarHBondContact OG-NE1 3.4Å; W97-W101 PolarHBondContact O-N 2.57Å; L98-W101 PolarHBondContact O-N 2.95Å; T99-W101 PolarHBondContact O-N 3.49Å; W101-F104 HydrophobicContact CE3-CD1 4.02Å; W101-F104 HydrophobicContact CZ3-CD1 4.02Å; W101-F104 HydrophobicContact CZ3-CE1 4.21Å; W101-F104 PolarHBondContact O-N 3.03Å; W101-A105 VanDerWaalsContact O-CB 3.26Å; W101-A105 WeakPolarHBondContact O-CB 3.38Å; W101-A105 PolarHBondContact O-N 3.02Å
102V86.2Confident83.3Confident69 Ų6965.1 Ų65.142%0.41834%0.338SS..Hα-helixtrans-64.2-45.8175.9174.60000110.8L98 T99 Y100 A105 F106 Y147 V151L98-V102 WeakPolarHBondContact O-CG2 3.12Å; L98-V102 PolarHBondContact O-N 2.94Å; T99-V102 PolarHBondContact O-N 3.07Å; Y100-V102 PolarHBondContact O-N 3.48Å; V102-A105 PolarHBondContact O-N 3.22Å; V102-F106 WeakPolarHBondContact O-CB 3.44Å; V102-F106 PolarHBondContact O-N 3.36Å; V102-Y147 HydrophobicContact CG1-CE2 4.36Å; V102-V151 HydrophobicContact CG1-CG1 3.62Å
103V85Confident83.6Confident0 Ų061.6 Ų61.60%034%0.338CS..Hα-helixtrans-64.4-45.2177.8169.40000111T99 Y100 F106 L107 L135 L146 Y147 V151T99-V103 HydrophobicContact CG2-CG2 4.47Å; T99-V103 WeakPolarHBondContact O-CB 3.48Å; T99-V103 VanDerWaalsContact O-CG2 3.28Å; T99-V103 WeakPolarHBondContact O-CG2 3.25Å; T99-V103 PolarHBondContact O-N 2.93Å; Y100-V103 PolarHBondContact O-N 3.49Å; V103-F106 PolarHBondContact O-N 3.12Å; V103-L107 HydrophobicContact CG1-CD1 3.88Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CB 3.1Å; V103-L107 VanDerWaalsContact O-CG 3.29Å; V103-L107 WeakPolarHBondContact O-CG 3.31Å; V103-L107 PolarHBondContact O-N 3.33Å; V103-L135 HydrophobicContact CG1-CD2 4.1Å; V103-L146 HydrophobicContact CG1-CB 4.01Å; V103-L146 HydrophobicContact CG1-CD2 3.53Å; V103-L146 HydrophobicContact CG1-CG 4.04Å; V103-Y147 HydrophobicContact CG2-CD2 4.1Å; V103-Y147 HydrophobicContact CG2-CG 4.41Å; V103-V151 HydrophobicContact CG2-CG2 3.94Å
104F86.5Confident83.7Confident24 Ų2459.5 Ų59.511%0.10533%0.329CS..Hα-helixtrans-59.7-46.9176.8-179.3-100.5000110.7Y100 W101 L107 N108 L132Y100-F104 HydrophobicContact CE1-CB 4.16Å; Y100-F104 HydrophobicContact CE1-CG 4.33Å; Y100-F104 WeakPolarHBondContact O-CB 3.43Å; Y100-F104 PolarHBondContact O-N 3.09Å; W101-F104 HydrophobicContact CE3-CD1 4.02Å; W101-F104 HydrophobicContact CZ3-CD1 4.02Å; W101-F104 HydrophobicContact CZ3-CE1 4.21Å; W101-F104 PolarHBondContact O-N 3.03Å; F104-L107 PolarHBondContact O-N 2.98Å; F104-N108 VanDerWaalsContact CD1-ND2 3.32Å; F104-N108 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.42Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.41Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.42Å; F104-N108 PolarHBondContact O-N 3.37Å; F104-N108 PolarHBondContact O-ND2 3.3Å; F104-L132 HydrophobicContact CD2-CD2 3.81Å; F104-L132 HydrophobicContact CE2-CD2 3.57Å
105A87.5Confident83.5Confident54 Ų5459.7 Ų59.745%0.44633%0.329SS..Hα-helixtrans-62-46.9177.300000112.2W101 V102 L107 N108 V109W101-A105 VanDerWaalsContact O-CB 3.26Å; W101-A105 WeakPolarHBondContact O-CB 3.38Å; W101-A105 PolarHBondContact O-N 3.02Å; V102-A105 PolarHBondContact O-N 3.22Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 2.97Å; A105-N108 PolarHBondContact O-N 2.68Å; A105-V109 WeakPolarHBondContact O-CG2 3.33Å; A105-V109 PolarHBondContact O-N 3.1Å; A105-V109 VanDerWaalsContact O-N 3.08Å
106F85.4Confident83.2Confident71 Ų7162.6 Ų62.631%0.31134%0.34SS..Hα-helixtrans-58-45.9176.2177.2-99.4000111.7V102 V103 V109 V110 L150 V151V102-F106 WeakPolarHBondContact O-CB 3.44Å; V102-F106 PolarHBondContact O-N 3.36Å; V103-F106 PolarHBondContact O-N 3.12Å; F106-V109 PolarHBondContact O-N 2.89Å; F106-V110 HydrophobicContact CD1-CG2 4.33Å; F106-V110 HydrophobicContact CE1-CG2 3.88Å; F106-V110 HydrophobicContact CE2-CG2 4.36Å; F106-V110 HydrophobicContact CZ-CG2 3.89Å; F106-V110 WeakPolarHBondContact O-CG2 3.41Å; F106-V110 PolarHBondContact O-N 2.81Å; F106-L150 HydrophobicContact CE1-CB 4.29Å; F106-L150 HydrophobicContact CE1-CD1 4.3Å; F106-V151 HydrophobicContact CB-CG2 4.36Å; F106-V151 HydrophobicContact CD1-CG2 4.41Å; F106-V151 HydrophobicContact CG-CG2 4.37Å
107L83.2Confident83Confident26 Ų2664.4 Ų64.414%0.13635%0.351CS..Hα-helixtrans-63-42.6177.2-77.4170.9000112.6V103 F104 A105 V109 V110 E111 F131 L135 L146V103-L107 HydrophobicContact CG1-CD1 3.88Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CB 3.1Å; V103-L107 VanDerWaalsContact O-CG 3.29Å; V103-L107 WeakPolarHBondContact O-CG 3.31Å; V103-L107 PolarHBondContact O-N 3.33Å; F104-L107 PolarHBondContact O-N 2.98Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 2.97Å; L107-V109 VanDerWaalsContact C-N 3.26Å; L107-V109 PolarHBondContact O-N 3.15Å; L107-V110 PolarHBondContact O-N 3.46Å; L107-E111 WeakPolarHBondContact O-CA 3.32Å; L107-E111 WeakPolarHBondContact O-CB 3.12Å; L107-E111 PolarHBondContact O-N 3.22Å; L107-F131 HydrophobicContact CD1-CD1 4.48Å; L107-F131 HydrophobicContact CD1-CE1 3.38Å; L107-F131 HydrophobicContact CD1-CZ 3.72Å; L107-F131 HydrophobicContact CD2-CE1 3.72Å; L107-F131 HydrophobicContact CD2-CZ 3.85Å; L107-F131 HydrophobicContact CG-CE1 4.1Å; L107-F131 HydrophobicContact CG-CZ 4.41Å; L107-L135 HydrophobicContact CD1-CD1 3.35Å; L107-L135 HydrophobicContact CD1-CD2 4.08Å; L107-L135 HydrophobicContact CD1-CG 4.33Å; L107-L146 HydrophobicContact CD1-CD2 3.5Å; L107-L146 HydrophobicContact CD2-CD2 3.9Å; L107-L146 HydrophobicContact CG-CD2 3.88Å
108N84.5Confident82.5Confident47 Ų4766.5 Ų66.525%0.25136%0.363SS..Hα-helixtrans-61.6-36176.7-83-88.4000111.7F104 A105 E111 F112F104-N108 VanDerWaalsContact CD1-ND2 3.32Å; F104-N108 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.42Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.41Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.42Å; F104-N108 PolarHBondContact O-N 3.37Å; F104-N108 PolarHBondContact O-ND2 3.3Å; A105-N108 PolarHBondContact O-N 2.68Å; N108-E111 PolarHBondContact O-N 3.38Å; N108-F112 VanDerWaalsContact O-CB 3.31Å; N108-F112 WeakPolarHBondContact O-CB 3.42Å; N108-F112 PolarHBondContact O-N 2.9Å
109V85.5Confident81.9Confident104 Ų10463.6 Ų63.663%0.6335%0.351SS*.Hα-helixtrans-66.3-46.9175.4173.10000111.2A105 F106 L107 E111 F112 A113A105-V109 WeakPolarHBondContact O-CG2 3.33Å; A105-V109 PolarHBondContact O-N 3.1Å; A105-V109 VanDerWaalsContact O-N 3.08Å; F106-V109 PolarHBondContact O-N 2.89Å; L107-V109 VanDerWaalsContact C-N 3.26Å; L107-V109 PolarHBondContact O-N 3.15Å; V109-E111 VanDerWaalsContact C-N 3.29Å; V109-E111 PolarHBondContact O-N 2.9Å; V109-F112 PolarHBondContact O-N 2.77Å; V109-A113 PolarHBondContact O-N 3.4Å
110V82.6Confident81.6Confident73 Ų7373.6 Ų73.644%0.44239%0.386SS..Hα-helixtrans-62.7-41.3175.8173.30000110.7F106 L107 A113 S114F106-V110 HydrophobicContact CD1-CG2 4.33Å; F106-V110 HydrophobicContact CE1-CG2 3.88Å; F106-V110 HydrophobicContact CE2-CG2 4.36Å; F106-V110 HydrophobicContact CZ-CG2 3.89Å; F106-V110 WeakPolarHBondContact O-CG2 3.41Å; F106-V110 PolarHBondContact O-N 2.81Å; L107-V110 PolarHBondContact O-N 3.46Å; V110-A113 WeakPolarHBondContact O-CB 3.48Å; V110-A113 PolarHBondContact O-N 3.26Å; V110-S114 PolarHBondContact O-N 3.15Å; V110-S114 PolarHBondContact O-OG 3.08Å
111E81.8Confident81.4Confident30 Ų3079.4 Ų79.414%0.1441%0.412CS..Hα-helixtrans-62.3-47.8180-169.3-167.316000110.7L107 N108 V109 A113 S114 E115 Y124 K128L107-E111 WeakPolarHBondContact O-CA 3.32Å; L107-E111 WeakPolarHBondContact O-CB 3.12Å; L107-E111 PolarHBondContact O-N 3.22Å; N108-E111 PolarHBondContact O-N 3.38Å; V109-E111 VanDerWaalsContact C-N 3.29Å; V109-E111 PolarHBondContact O-N 2.9Å; E111-A113 PolarHBondContact O-N 3.26Å; E111-S114 WeakPolarHBondContact CA-OG 3.38Å; E111-S114 CarbonylContact O-C 3.6Å; E111-S114 WeakPolarHBondContact O-CA 3.44Å; E111-S114 PolarHBondContact O-N 2.95Å; E111-S114 PolarHBondContact O-OG 3.42Å; E111-E115 PolarHBondContact O-N 3.34Å; E111-Y124 WeakPolarHBondContact CG-OH 3.07Å; E111-Y124 PolarHBondContact OE1-OH 3.48Å; E111-K128 VanDerWaalsContact CD-CE 3.4Å; E111-K128 WeakPolarHBondContact OE1-CD 3.28Å; E111-K128 WeakPolarHBondContact OE1-CE 3.45Å; E111-K128 IonicContact OE1-NZ 2.69Å; E111-K128 PolarHBondContact OE1-NZ 3.27Å; E111-K128 WeakPolarHBondContact OE2-CE 3.33Å; E111-K128 IonicContact OE2-NZ 3.85Å; E111-K128 PolarHBondContact OE2-NZ 3.4Å
112F82.5Confident80.9Confident158 Ų15880 Ų8069%0.69342%0.424SS*.Hα-helixtrans-54.8-39.2177.3-179.2-101.7000112N108 V109 S114 E115N108-F112 VanDerWaalsContact O-CB 3.31Å; N108-F112 WeakPolarHBondContact O-CB 3.42Å; N108-F112 PolarHBondContact O-N 2.9Å; V109-F112 PolarHBondContact O-N 2.77Å; F112-S114 PolarHBondContact O-N 3.26Å; F112-E115 PolarHBondContact O-N 3.26Å
113A80.8Confident80.8Confident83 Ų8378.8 Ų78.869%0.68642%0.417SS*.Hα-helixtrans-66.3-26.7174.900000113.3V109 V110 E111V109-A113 PolarHBondContact O-N 3.4Å; V110-A113 WeakPolarHBondContact O-CB 3.48Å; V110-A113 PolarHBondContact O-N 3.26Å; E111-A113 PolarHBondContact O-N 3.26Å
114S79Confident80.7Confident32 Ų3279.7 Ų79.722%0.22442%0.421CS..Hα-helixtrans-98.9-11.2-179.166.40000114.7V110 E111 F112 L116 I117 L118V110-S114 PolarHBondContact O-N 3.15Å; V110-S114 PolarHBondContact O-OG 3.08Å; E111-S114 WeakPolarHBondContact CA-OG 3.38Å; E111-S114 CarbonylContact O-C 3.6Å; E111-S114 WeakPolarHBondContact O-CA 3.44Å; E111-S114 PolarHBondContact O-N 2.95Å; E111-S114 PolarHBondContact O-OG 3.42Å; F112-S114 PolarHBondContact O-N 3.26Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 3.5Å; S114-I117 PolarHBondContact O-N 3.48Å; S114-L118 WeakPolarHBondContact O-CB 3.46Å; S114-L118 WeakPolarHBondContact O-CG 3.35Å; S114-L118 PolarHBondContact O-N 3.31Å; S114-L118 VanDerWaalsContact OG-CD1 3.31Å; S114-L118 WeakPolarHBondContact OG-CD1 3.31Å
115E76.6Confident80.5Confident45 Ų4580.6 Ų80.621%0.2142%0.424CS..Hα-helixtrans-58.1-40-170.8-173.3172.8-167.900111.9Q67 E111 F112 I117 L118 T119Q67-E115 PolarHBondContact NE2-OE1 2.88Å; E111-E115 PolarHBondContact O-N 3.34Å; F112-E115 PolarHBondContact O-N 3.26Å; E115-I117 VanDerWaalsContact C-N 3.3Å; E115-I117 PolarHBondContact O-N 2.84Å; E115-L118 PolarHBondContact O-N 3.2Å; E115-T119 WeakPolarHBondContact O-CB 3.29Å; E115-T119 PolarHBondContact O-N 3.17Å; E115-T119 PolarHBondContact O-OG1 2.75Å
116L71.7Confident80.4Confident159 Ų15980.2 Ų80.283%0.83241%0.414SS*.Hα-helixtrans-62.9-36.2179.6-173.863.8000112.9S114S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 3.5Å
117I75.5Confident80.4Confident130 Ų13080.3 Ų80.367%0.66742%0.422SS*.Hα-helixtrans-83.3-42.5-178.3-61.1172.4000109.9S114 E115S114-I117 PolarHBondContact O-N 3.48Å; E115-I117 VanDerWaalsContact C-N 3.3Å; E115-I117 PolarHBondContact O-N 2.84Å
118L75.3Confident80.4Confident68 Ų6879.8 Ų79.836%0.35642%0.419SS..Hα-helixtrans-80-27.8-172-65.3178.2000113.1S114 E115 W120 F121 Y124S114-L118 WeakPolarHBondContact O-CB 3.46Å; S114-L118 WeakPolarHBondContact O-CG 3.35Å; S114-L118 PolarHBondContact O-N 3.31Å; S114-L118 VanDerWaalsContact OG-CD1 3.31Å; S114-L118 WeakPolarHBondContact OG-CD1 3.31Å; E115-L118 PolarHBondContact O-N 3.2Å; L118-W120 PolarHBondContact O-N 3.09Å; L118-F121 WeakPolarHBondContact O-CB 3.23Å; L118-F121 PolarHBondContact O-N 2.97Å; L118-Y124 HydrophobicContact CB-CD2 3.41Å; L118-Y124 VanDerWaalsContact CB-CD2 3.41Å; L118-Y124 HydrophobicContact CB-CE2 3.39Å; L118-Y124 HydrophobicContact CB-CG 4.03Å; L118-Y124 HydrophobicContact CD1-CD2 4.07Å; L118-Y124 HydrophobicContact CD1-CE2 3.5Å; L118-Y124 HydrophobicContact CG-CD2 4.27Å; L118-Y124 HydrophobicContact CG-CE2 4.06Å; L118-Y124 VanDerWaalsContact O-CB 3.29Å; L118-Y124 WeakPolarHBondContact O-CB 3.32Å
119T72.2Confident80.5Confident63 Ų6378.8 Ų78.839%0.38741%0.413SS..THydrogen-bonded Turntrans-63-24.1178-590000112.5E115 F121E115-T119 WeakPolarHBondContact O-CB 3.29Å; E115-T119 PolarHBondContact O-N 3.17Å; E115-T119 PolarHBondContact O-OG1 2.75Å; T119-F121 PolarHBondContact O-N 2.82Å
120W76.8Confident80.4Confident236 Ų23677.8 Ų77.889%0.89441%0.407SS*.THydrogen-bonded Turntrans-68.3-19.4173.4-174.443.3000112.9L118L118-W120 PolarHBondContact O-N 3.09Å
121F82.3Confident80.5Confident126 Ų12678.3 Ų78.355%0.55340%0.403SS*.SBendtrans-88.4119.2179.7-160.4-119.7000110.9L118 T119 V123 Y124L118-F121 WeakPolarHBondContact O-CB 3.23Å; L118-F121 PolarHBondContact O-N 2.97Å; T119-F121 PolarHBondContact O-N 2.82Å; F121-V123 HydrophobicContact CD1-CG2 3.3Å; F121-V123 HydrophobicContact CE1-CB 4.43Å; F121-V123 HydrophobicContact CE1-CG2 2.98Å; F121-V123 HydrophobicContact CG-CG2 4.4Å; F121-V123 HydrophobicContact CZ-CG2 3.86Å; F121-V123 PolarHBondContact O-N 3.49Å; F121-V123 VanDerWaalsContact O-N 3.11Å; F121-Y124 WeakPolarHBondContact O-CB 3.14Å; F121-Y124 PolarHBondContact O-N 3.37Å
122P77.4Confident80.6Confident81 Ų8177.2 Ų77.253%0.52640%0.398SS..THydrogen-bonded Turntrans-65.1-23.8-168.424.4-34.5000114.1I61I61-P122 WeakPolarHBondContact CA-O 3.43Å; I61-P122 HydrophobicContact CG2-CB 4.17Å; I61-P122 WeakPolarHBondContact CG2-O 3.41Å
123V84Confident80.6Confident45 Ų4571.9 Ų71.927%0.27338%0.377SS..THydrogen-bonded Turntrans-925178.1-57.90000113.4I61 F121 Y125 L126 C127I61-V123 HydrophobicContact CD1-CG1 4.31Å; I61-V123 HydrophobicContact CG1-CG1 4.38Å; F121-V123 HydrophobicContact CD1-CG2 3.3Å; F121-V123 HydrophobicContact CE1-CB 4.43Å; F121-V123 HydrophobicContact CE1-CG2 2.98Å; F121-V123 HydrophobicContact CG-CG2 4.4Å; F121-V123 HydrophobicContact CZ-CG2 3.86Å; F121-V123 PolarHBondContact O-N 3.49Å; F121-V123 VanDerWaalsContact O-N 3.11Å; V123-Y125 PolarHBondContact O-N 3.21Å; V123-L126 WeakPolarHBondContact O-CB 3.41Å; V123-L126 PolarHBondContact O-N 3.39Å; V123-C127 PolarHBondContact O-N 3Å; V123-C127 PolarHBondContact O-SG 3.31Å; V123-C127 VanDerWaalsContact O-SG 3.41Å
124Y84Confident80.7Confident18 Ų1872.3 Ų72.37%0.07136%0.361CS..Hα-helixtrans-54.9-52-176.9171.9-114.7000113.1E111 L118 F121 L126 C127 K128E111-Y124 WeakPolarHBondContact CG-OH 3.07Å; E111-Y124 PolarHBondContact OE1-OH 3.48Å; L118-Y124 HydrophobicContact CB-CD2 3.41Å; L118-Y124 VanDerWaalsContact CB-CD2 3.41Å; L118-Y124 HydrophobicContact CB-CE2 3.39Å; L118-Y124 HydrophobicContact CB-CG 4.03Å; L118-Y124 HydrophobicContact CD1-CD2 4.07Å; L118-Y124 HydrophobicContact CD1-CE2 3.5Å; L118-Y124 HydrophobicContact CG-CD2 4.27Å; L118-Y124 HydrophobicContact CG-CE2 4.06Å; L118-Y124 VanDerWaalsContact O-CB 3.29Å; L118-Y124 WeakPolarHBondContact O-CB 3.32Å; F121-Y124 WeakPolarHBondContact O-CB 3.14Å; F121-Y124 PolarHBondContact O-N 3.37Å; Y124-L126 VanDerWaalsContact C-N 3.29Å; Y124-L126 PolarHBondContact O-N 2.92Å; Y124-C127 WeakPolarHBondContact O-CB 3.38Å; Y124-C127 PolarHBondContact O-N 3.17Å; Y124-K128 WeakPolarHBondContact O-CB 3.2Å; Y124-K128 PolarHBondContact O-N 3.1Å
125Y83Confident80.6Confident44 Ų4471 Ų7117%0.17335%0.351CS..Hα-helixtrans-65.7-33-179.2-69.4-66.4000112.6L60 A66 Q67 C70 V123 K128 F129L60-Y125 WeakPolarHBondContact O-CB 3.26Å; A66-Y125 HydrophobicContact CB-CD1 4.07Å; A66-Y125 HydrophobicContact CB-CD2 3.7Å; A66-Y125 HydrophobicContact CB-CE2 4.29Å; A66-Y125 HydrophobicContact CB-CG 3.57Å; Q67-Y125 HydrophobicContact CB-CD1 4.39Å; Q67-Y125 HydrophobicContact CB-CE1 3.57Å; Q67-Y125 HydrophobicContact CG-CE1 4.18Å; C70-Y125 PolarHBondContact SG-O 3.48Å; C70-Y125 VanDerWaalsContact SG-O 3.36Å; V123-Y125 PolarHBondContact O-N 3.21Å; Y125-K128 PolarHBondContact O-N 3.07Å; Y125-F129 VanDerWaalsContact O-CB 3.25Å; Y125-F129 WeakPolarHBondContact O-CB 3.37Å; Y125-F129 PolarHBondContact O-N 3.24Å
126L85Confident80.4Confident45 Ų4570.4 Ų70.424%0.23635%0.348CS..Hα-helixtrans-64.5-47172.7-179.363.2000110.8A57 L60 I61 V123 Y124 F129 V130A57-L126 HydrophobicContact CB-CD1 3.77Å; A57-L126 HydrophobicContact CB-CD2 4.47Å; L60-L126 HydrophobicContact CD1-CD1 4.21Å; I61-L126 HydrophobicContact CD1-CD2 4.12Å; I61-L126 HydrophobicContact CG1-CB 4.38Å; I61-L126 HydrophobicContact CG1-CD2 4.44Å; V123-L126 WeakPolarHBondContact O-CB 3.41Å; V123-L126 PolarHBondContact O-N 3.39Å; Y124-L126 VanDerWaalsContact C-N 3.29Å; Y124-L126 PolarHBondContact O-N 2.92Å; L126-F129 PolarHBondContact O-N 3.35Å; L126-V130 HydrophobicContact CD1-CG2 4.44Å; L126-V130 WeakPolarHBondContact O-CG2 3.5Å; L126-V130 PolarHBondContact O-N 2.99Å
127C84Confident80.5Confident73 Ų7366.2 Ų66.249%0.49333%0.325SS..Hα-helixtrans-60.7-45175.5-69.20000111.6V123 Y124 V130 F131V123-C127 PolarHBondContact O-N 3Å; V123-C127 PolarHBondContact O-SG 3.31Å; V123-C127 VanDerWaalsContact O-SG 3.41Å; Y124-C127 WeakPolarHBondContact O-CB 3.38Å; Y124-C127 PolarHBondContact O-N 3.17Å; C127-V130 PolarHBondContact O-N 3.4Å; C127-F131 WeakPolarHBondContact O-CB 3.46Å; C127-F131 PolarHBondContact O-N 2.97Å
128K84Confident79.9Confident15 Ų1564.6 Ų64.67%0.06532%0.324CS..Hα-helixtrans-57.8-49.6175.3-176.7-176.8-176.8163.40110.9C70 N71 E111 Y124 Y125 V130 F131 L132C70-K128 HydrophobicContact CB-CD 3.86Å; C70-K128 HydrophobicContact CB-CG 4.26Å; N71-K128 PolarHBondContact OD1-NZ 2.86Å; E111-K128 VanDerWaalsContact CD-CE 3.4Å; E111-K128 WeakPolarHBondContact OE1-CD 3.28Å; E111-K128 WeakPolarHBondContact OE1-CE 3.45Å; E111-K128 IonicContact OE1-NZ 2.69Å; E111-K128 PolarHBondContact OE1-NZ 3.27Å; E111-K128 WeakPolarHBondContact OE2-CE 3.33Å; E111-K128 IonicContact OE2-NZ 3.85Å; E111-K128 PolarHBondContact OE2-NZ 3.4Å; Y124-K128 WeakPolarHBondContact O-CB 3.2Å; Y124-K128 PolarHBondContact O-N 3.1Å; Y125-K128 PolarHBondContact O-N 3.07Å; K128-V130 PolarHBondContact O-N 3.46Å; K128-F131 PolarHBondContact O-N 3.44Å; K128-L132 HydrophobicContact CG-CD1 4.15Å; K128-L132 HydrophobicContact CG-CG 4.41Å; K128-L132 WeakPolarHBondContact O-CG 3.2Å; K128-L132 PolarHBondContact O-N 2.76Å
129F85.7Confident79.3Confident27 Ų2768.9 Ų68.912%0.11834%0.344CS..Hα-helixtrans-58.8-50.4179.7-174.7-94.1000111.6F56 L60 A73 Y125 L126 F131 L132 L133F56-F129 HydrophobicContact CE1-CD1 4.39Å; F56-F129 HydrophobicContact CE1-CD2 4.31Å; F56-F129 AromaticContact CE1-CE1 3.82Å; F56-F129 HydrophobicContact CE1-CE1 3.82Å; F56-F129 AromaticContact CE1-CE2 3.73Å; F56-F129 HydrophobicContact CE1-CE2 3.73Å; F56-F129 AromaticContact CE1-CZ 3.49Å; F56-F129 HydrophobicContact CE1-CZ 3.49Å; F56-F129 VanDerWaalsContact CE1-CZ 3.49Å; F56-F129 AromaticContact CZ-CE2 3.95Å; F56-F129 HydrophobicContact CZ-CE2 3.95Å; F56-F129 HydrophobicContact CZ-CZ 4.09Å; L60-F129 HydrophobicContact CD1-CB 3.68Å; L60-F129 HydrophobicContact CD1-CD1 3.98Å; L60-F129 HydrophobicContact CD1-CD2 3.99Å; L60-F129 HydrophobicContact CD1-CG 3.63Å; A73-F129 HydrophobicContact CB-CD2 3.93Å; A73-F129 HydrophobicContact CB-CE2 3.39Å; A73-F129 HydrophobicContact CB-CZ 4.2Å; Y125-F129 VanDerWaalsContact O-CB 3.25Å; Y125-F129 WeakPolarHBondContact O-CB 3.37Å; Y125-F129 PolarHBondContact O-N 3.24Å; L126-F129 PolarHBondContact O-N 3.35Å; F129-F131 VanDerWaalsContact C-N 3.29Å; F129-F131 PolarHBondContact O-N 3.42Å; F129-L132 PolarHBondContact O-N 2.85Å; F129-L133 HydrophobicContact CD1-CD1 3.89Å; F129-L133 HydrophobicContact CD1-CG 4.13Å; F129-L133 HydrophobicContact CE1-CD1 3.48Å; F129-L133 VanDerWaalsContact CE1-CD1 3.48Å; F129-L133 HydrophobicContact CE1-CD2 4.27Å; F129-L133 HydrophobicContact CE1-CG 3.88Å; F129-L133 HydrophobicContact CZ-CD1 4.27Å; F129-L133 HydrophobicContact CZ-CD2 4.29Å; F129-L133 HydrophobicContact CZ-CG 4.37Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 2.66Å
130V85.1Confident79Confident83 Ų8367.5 Ų67.550%0.50334%0.335SS..Hα-helixtrans-60.7-39.9177.51720000111.4L126 C127 K128 L133 Y134L126-V130 HydrophobicContact CD1-CG2 4.44Å; L126-V130 WeakPolarHBondContact O-CG2 3.5Å; L126-V130 PolarHBondContact O-N 2.99Å; C127-V130 PolarHBondContact O-N 3.4Å; K128-V130 PolarHBondContact O-N 3.46Å; V130-L133 WeakPolarHBondContact O-CB 3.41Å; V130-L133 PolarHBondContact O-N 3.47Å; V130-Y134 WeakPolarHBondContact O-CB 3.49Å; V130-Y134 PolarHBondContact O-N 2.77Å
131F84.4Confident78.7Confident84 Ų8461.4 Ų61.437%0.36832%0.318SS..Hα-helixtrans-66.1-43.1177.6-177.8-113.6000112.1L107 C127 K128 F129 Y134 L135 L146L107-F131 HydrophobicContact CD1-CD1 4.48Å; L107-F131 HydrophobicContact CD1-CE1 3.38Å; L107-F131 HydrophobicContact CD1-CZ 3.72Å; L107-F131 HydrophobicContact CD2-CE1 3.72Å; L107-F131 HydrophobicContact CD2-CZ 3.85Å; L107-F131 HydrophobicContact CG-CE1 4.1Å; L107-F131 HydrophobicContact CG-CZ 4.41Å; C127-F131 WeakPolarHBondContact O-CB 3.46Å; C127-F131 PolarHBondContact O-N 2.97Å; K128-F131 PolarHBondContact O-N 3.44Å; F129-F131 VanDerWaalsContact C-N 3.29Å; F129-F131 PolarHBondContact O-N 3.42Å; F131-Y134 WeakPolarHBondContact O-CB 3.12Å; F131-Y134 PolarHBondContact O-N 2.8Å; F131-L135 HydrophobicContact CD1-CD1 4.43Å; F131-L135 HydrophobicContact CE1-CD1 4.16Å; F131-L135 HydrophobicContact CZ-CD2 4.34Å; F131-L135 WeakPolarHBondContact O-CG 3.45Å; F131-L135 PolarHBondContact O-N 3.49Å; F131-L146 HydrophobicContact CZ-CD2 4.04Å
132L82.9Confident78.4Confident6 Ų655.4 Ų55.43%0.03129%0.292CS..Hα-helixtrans-62.4-44.2174.7-70.3178.2000111.7C70 F104 K128 F129 Y134 L135 Y136C70-L132 HydrophobicContact CB-CD1 4.2Å; C70-L132 VanDerWaalsContact O-CD1 3.23Å; C70-L132 WeakPolarHBondContact O-CD1 3.26Å; F104-L132 HydrophobicContact CD2-CD2 3.81Å; F104-L132 HydrophobicContact CE2-CD2 3.57Å; K128-L132 HydrophobicContact CG-CD1 4.15Å; K128-L132 HydrophobicContact CG-CG 4.41Å; K128-L132 WeakPolarHBondContact O-CG 3.2Å; K128-L132 PolarHBondContact O-N 2.76Å; F129-L132 PolarHBondContact O-N 2.85Å; L132-Y134 VanDerWaalsContact C-N 3.28Å; L132-Y134 PolarHBondContact O-N 3.33Å; L132-L135 HydrophobicContact CD2-CD1 4.17Å; L132-L135 PolarHBondContact O-N 2.9Å; L132-L135 VanDerWaalsContact O-N 3.15Å; L132-Y136 WeakPolarHBondContact O-CD1 3.24Å; L132-Y136 WeakPolarHBondContact O-CE1 3.34Å
133L83.5Confident78.2Confident47 Ų4752 Ų5225%0.24627%0.271CS..Hα-helixtrans-55.1-45.9172.4-71.3-172000111.3F129 V130 L135 Y136 L137F129-L133 HydrophobicContact CD1-CD1 3.89Å; F129-L133 HydrophobicContact CD1-CG 4.13Å; F129-L133 HydrophobicContact CE1-CD1 3.48Å; F129-L133 VanDerWaalsContact CE1-CD1 3.48Å; F129-L133 HydrophobicContact CE1-CD2 4.27Å; F129-L133 HydrophobicContact CE1-CG 3.88Å; F129-L133 HydrophobicContact CZ-CD1 4.27Å; F129-L133 HydrophobicContact CZ-CD2 4.29Å; F129-L133 HydrophobicContact CZ-CG 4.37Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 2.66Å; V130-L133 WeakPolarHBondContact O-CB 3.41Å; V130-L133 PolarHBondContact O-N 3.47Å; L133-L135 PolarHBondContact O-N 3.17Å; L133-Y136 HydrophobicContact CD2-CE1 4.15Å; L133-Y136 HydrophobicContact CD2-CE2 4.35Å; L133-Y136 WeakPolarHBondContact CD2-OH 3.02Å; L133-Y136 PolarHBondContact O-N 3.37Å; L133-L137 HydrophobicContact CB-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 VanDerWaalsContact O-CD1 3.31Å; L133-L137 WeakPolarHBondContact O-CD1 3.47Å; L133-L137 PolarHBondContact O-N 2.68Å
134Y82.2Confident77.8Confident92 Ų9254.9 Ų54.936%0.36128%0.281SS..Hα-helixtrans-60.3-30.3-179.8171-92.4000113.2V130 F131 L132 T140 G142V130-Y134 WeakPolarHBondContact O-CB 3.49Å; V130-Y134 PolarHBondContact O-N 2.77Å; F131-Y134 WeakPolarHBondContact O-CB 3.12Å; F131-Y134 PolarHBondContact O-N 2.8Å; L132-Y134 VanDerWaalsContact C-N 3.28Å; L132-Y134 PolarHBondContact O-N 3.33Å; Y134-T140 HydrophobicContact CD2-CG2 3.55Å; Y134-T140 VanDerWaalsContact CE2-CB 3.47Å; Y134-T140 HydrophobicContact CE2-CG2 3.55Å; Y134-T140 PolarHBondContact O-OG1 3.28Å; Y134-G142 VanDerWaalsContact CE1-CA 3.5Å
135L77.2Confident77.5Confident3 Ų359.4 Ų59.42%0.01630%0.301CS..Hα-helixtrans-71-43.2-177.8-68.5171000113Y100 V103 L107 F131 L132 L133 A143 L146Y100-L135 HydrophobicContact CD2-CB 4.26Å; Y100-L135 HydrophobicContact CE2-CB 3.82Å; V103-L135 HydrophobicContact CG1-CD2 4.1Å; L107-L135 HydrophobicContact CD1-CD1 3.35Å; L107-L135 HydrophobicContact CD1-CD2 4.08Å; L107-L135 HydrophobicContact CD1-CG 4.33Å; F131-L135 HydrophobicContact CD1-CD1 4.43Å; F131-L135 HydrophobicContact CE1-CD1 4.16Å; F131-L135 HydrophobicContact CZ-CD2 4.34Å; F131-L135 WeakPolarHBondContact O-CG 3.45Å; F131-L135 PolarHBondContact O-N 3.49Å; L132-L135 HydrophobicContact CD2-CD1 4.17Å; L132-L135 PolarHBondContact O-N 2.9Å; L132-L135 VanDerWaalsContact O-N 3.15Å; L133-L135 PolarHBondContact O-N 3.17Å; L135-A143 WeakPolarHBondContact O-CB 3.48Å; L135-A143 PolarHBondContact O-N 2.93Å; L135-A143 VanDerWaalsContact O-N 3.09Å; L135-L146 HydrophobicContact CD2-CD2 3.81Å
136Y72.2Confident77.3Confident34 Ų3458.6 Ų58.613%0.13330%0.3CS..Hα-helixtrans-100-11.1-176.666.8-105.9000114.2A73 Y77 P78 Y100 L132 L133 P138A73-Y136 WeakPolarHBondContact O-CE1 3.33Å; Y77-Y136 AromaticContact CD1-CD2 3.64Å; Y77-Y136 HydrophobicContact CD1-CD2 3.64Å; Y77-Y136 AromaticContact CD1-CE2 3.79Å; Y77-Y136 HydrophobicContact CD1-CE2 3.79Å; Y77-Y136 HydrophobicContact CD1-CG 4.39Å; Y77-Y136 HydrophobicContact CE1-CD2 4.02Å; Y77-Y136 HydrophobicContact CE1-CE2 4.41Å; Y77-Y136 HydrophobicContact CG-CE2 4.46Å; P78-Y136 HydrophobicContact CG-CD1 3.92Å; P78-Y136 HydrophobicContact CG-CG 4.06Å; Y100-Y136 HydrophobicContact CE2-CD1 4.21Å; Y100-Y136 HydrophobicContact CE2-CG 4.49Å; L132-Y136 WeakPolarHBondContact O-CD1 3.24Å; L132-Y136 WeakPolarHBondContact O-CE1 3.34Å; L133-Y136 HydrophobicContact CD2-CE1 4.15Å; L133-Y136 HydrophobicContact CD2-CE2 4.35Å; L133-Y136 WeakPolarHBondContact CD2-OH 3.02Å; L133-Y136 PolarHBondContact O-N 3.37Å; Y136-P138 WeakPolarHBondContact O-CD 3.23Å
137L74.3Confident76.8Confident70 Ų7060 Ų6037%0.36630%0.302SS..  trans-59.6123.1175.8-115.873.5000109.4L133 M139 T140 M141L133-L137 HydrophobicContact CB-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 VanDerWaalsContact O-CD1 3.31Å; L133-L137 WeakPolarHBondContact O-CD1 3.47Å; L133-L137 PolarHBondContact O-N 2.68Å; L137-M139 PolarHBondContact O-N 3.48Å; L137-T140 PolarHBondContact O-N 3.38Å; L137-T140 VanDerWaalsContact O-N 3.12Å; L137-T140 PolarHBondContact O-OG1 2.99Å; L137-M141 PolarHBondContact O-N 2.96Å
138P63Low76.6Confident97 Ų9760.4 Ų60.463%0.6330%0.303SS*.THydrogen-bonded Turntrans-63.8-21-177.224.6-33.8000112.3Y136 T140Y136-P138 WeakPolarHBondContact O-CD 3.23Å; P138-T140 VanDerWaalsContact C-N 3.35Å
139M61.7Low76.5Confident158 Ų15866.3 Ų66.378%0.77833%0.33SS*.THydrogen-bonded Turntrans-69.1-29.9178.5-177.1173.8-83.900113.3L137L137-M139 PolarHBondContact O-N 3.48Å
140T67.2Low76.2Confident34 Ų3468.7 Ų68.721%0.20934%0.344CS..THydrogen-bonded Turntrans-101.6-20.7-172.146.20000112.9Y134 L137 P138 G142Y134-T140 HydrophobicContact CD2-CG2 3.55Å; Y134-T140 VanDerWaalsContact CE2-CB 3.47Å; Y134-T140 HydrophobicContact CE2-CG2 3.55Å; Y134-T140 PolarHBondContact O-OG1 3.28Å; L137-T140 PolarHBondContact O-N 3.38Å; L137-T140 VanDerWaalsContact O-N 3.12Å; L137-T140 PolarHBondContact O-OG1 2.99Å; P138-T140 VanDerWaalsContact C-N 3.35Å; T140-G142 PolarHBondContact O-N 2.99Å; T140-G142 VanDerWaalsContact O-N 3.08Å
141M70Confident75.8Confident107 Ų10765.4 Ų65.453%0.52732%0.324SS..THydrogen-bonded Turntrans43.438.7-169.2-58.1-175.5102.800110.6L137 A143 E144 K145L137-M141 PolarHBondContact O-N 2.96Å; M141-A143 VanDerWaalsContact C-N 3.32Å; M141-A143 PolarHBondContact O-N 3.39Å; M141-E144 HydrophobicContact CB-CB 4.45Å; M141-E144 WeakPolarHBondContact CE-OE2 3.48Å; M141-E144 PolarHBondContact O-N 2.63Å; M141-E144 VanDerWaalsContact O-N 3.12Å; M141-K145 PolarHBondContact O-N 3.39Å
142G75Confident75.5Confident1 Ų162 Ų621%0.0131%0.312CS..Hα-helixtrans-62.2-40.2-166.200000112.1Y134 T140 E144 K145 L146Y134-G142 VanDerWaalsContact CE1-CA 3.5Å; T140-G142 PolarHBondContact O-N 2.99Å; T140-G142 VanDerWaalsContact O-N 3.08Å; G142-E144 PolarHBondContact O-N 2.86Å; G142-K145 PolarHBondContact O-N 3.42Å; G142-L146 WeakPolarHBondContact O-CB 3.44Å; G142-L146 PolarHBondContact O-N 2.91Å
143A73.6Confident75.2Confident9 Ų964.5 Ų64.57%0.07433%0.328CS..Hα-helixtrans-61.5-41175.500000112.9Y100 L135 M141 L146 Y147Y100-A143 HydrophobicContact CD2-CB 4.13Å; L135-A143 WeakPolarHBondContact O-CB 3.48Å; L135-A143 PolarHBondContact O-N 2.93Å; L135-A143 VanDerWaalsContact O-N 3.09Å; M141-A143 VanDerWaalsContact C-N 3.32Å; M141-A143 PolarHBondContact O-N 3.39Å; A143-L146 PolarHBondContact O-N 3.49Å; A143-Y147 WeakPolarHBondContact O-CB 3.44Å; A143-Y147 PolarHBondContact O-N 3.36Å
144E75.6Confident75Confident106 Ų10665.5 Ų65.550%0.49534%0.336SS..Hα-helixtrans-66.5-42.8-179.6-171.5-178163.800111.8M141 G142 L146 Y147 T148M141-E144 HydrophobicContact CB-CB 4.45Å; M141-E144 WeakPolarHBondContact CE-OE2 3.48Å; M141-E144 PolarHBondContact O-N 2.63Å; M141-E144 VanDerWaalsContact O-N 3.12Å; G142-E144 PolarHBondContact O-N 2.86Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.25Å; E144-Y147 PolarHBondContact O-N 2.79Å; E144-T148 WeakPolarHBondContact O-CG2 3.24Å; E144-T148 PolarHBondContact O-N 3.19Å; E144-T148 PolarHBondContact O-OG1 3.46Å
145K77.8Confident74.6Confident112 Ų11265.1 Ų65.149%0.48734%0.339SS..Hα-helixtrans-60.8-44.5173.7-68.3180-177.1170.60111.4M141 G142 Y147 T148 Q149M141-K145 PolarHBondContact O-N 3.39Å; G142-K145 PolarHBondContact O-N 3.42Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; K145-T148 PolarHBondContact O-N 3.12Å; K145-T148 PolarHBondContact O-OG1 3.08Å; K145-Q149 WeakPolarHBondContact O-CB 3.46Å; K145-Q149 VanDerWaalsContact O-CG 3.27Å; K145-Q149 WeakPolarHBondContact O-CG 3.42Å; K145-Q149 PolarHBondContact O-N 3.39Å
146L78.3Confident74.6Confident27 Ų2771.2 Ų71.214%0.14137%0.367CS..Hα-helixtrans-70.3-34.8-178.9-162.963.6000112.1V103 L107 F131 L135 G142 A143 E144 Q149 L150V103-L146 HydrophobicContact CG1-CB 4.01Å; V103-L146 HydrophobicContact CG1-CD2 3.53Å; V103-L146 HydrophobicContact CG1-CG 4.04Å; L107-L146 HydrophobicContact CD1-CD2 3.5Å; L107-L146 HydrophobicContact CD2-CD2 3.9Å; L107-L146 HydrophobicContact CG-CD2 3.88Å; F131-L146 HydrophobicContact CZ-CD2 4.04Å; L135-L146 HydrophobicContact CD2-CD2 3.81Å; G142-L146 WeakPolarHBondContact O-CB 3.44Å; G142-L146 PolarHBondContact O-N 2.91Å; A143-L146 PolarHBondContact O-N 3.49Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.25Å; L146-Q149 PolarHBondContact O-N 2.9Å; L146-L150 HydrophobicContact CD1-CD1 3.32Å; L146-L150 HydrophobicContact CD1-CG 3.82Å; L146-L150 HydrophobicContact CG-CD1 4.04Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 PolarHBondContact O-N 2.86Å
147Y76.4Confident74.8Confident76 Ų7677.7 Ų77.730%0.29840%0.395SS..Iπ-helixtrans-60.5-52.8173.1-178.3-94.1000111T99 V102 V103 A143 E144 K145 Q149 V151 A152T99-Y147 HydrophobicContact CG2-CD1 4.27Å; T99-Y147 HydrophobicContact CG2-CD2 3.72Å; T99-Y147 HydrophobicContact CG2-CE2 4.49Å; T99-Y147 HydrophobicContact CG2-CG 3.59Å; V102-Y147 HydrophobicContact CG1-CE2 4.36Å; V103-Y147 HydrophobicContact CG2-CD2 4.1Å; V103-Y147 HydrophobicContact CG2-CG 4.41Å; A143-Y147 WeakPolarHBondContact O-CB 3.44Å; A143-Y147 PolarHBondContact O-N 3.36Å; E144-Y147 PolarHBondContact O-N 2.79Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; Y147-Q149 VanDerWaalsContact C-N 3.28Å; Y147-Q149 PolarHBondContact O-N 3.43Å; Y147-V151 HydrophobicContact CD2-CB 3.74Å; Y147-V151 HydrophobicContact CD2-CG1 3.71Å; Y147-V151 HydrophobicContact CD2-CG2 4.34Å; Y147-V151 HydrophobicContact CE2-CB 4.17Å; Y147-V151 HydrophobicContact CE2-CG1 3.67Å; Y147-V151 HydrophobicContact CG-CB 4.3Å; Y147-V151 CarbonylContact O-C 3.39Å; Y147-V151 PolarHBondContact O-N 2.87Å; Y147-V151 VanDerWaalsContact O-N 3.1Å; Y147-A152 HydrophobicContact CD1-CB 4.38Å; Y147-A152 HydrophobicContact CE1-CB 4.16Å; Y147-A152 WeakPolarHBondContact O-CB 3.4Å; Y147-A152 PolarHBondContact O-N 3.33Å
148T79Confident74.9Confident81 Ų8178.8 Ų78.850%0.49740%0.401SS..Iπ-helixtrans-63.9-32.4-178.451.20000112.8E144 K145E144-T148 WeakPolarHBondContact O-CG2 3.24Å; E144-T148 PolarHBondContact O-N 3.19Å; E144-T148 PolarHBondContact O-OG1 3.46Å; K145-T148 PolarHBondContact O-N 3.12Å; K145-T148 PolarHBondContact O-OG1 3.08Å
149Q80.9Confident75.4Confident138 Ų13880.1 Ų80.165%0.64540%0.397SS*.Iπ-helixtrans-87.5-39.9-177-70.6-179-20.600114.7K145 L146 Y147 P153K145-Q149 WeakPolarHBondContact O-CB 3.46Å; K145-Q149 VanDerWaalsContact O-CG 3.27Å; K145-Q149 WeakPolarHBondContact O-CG 3.42Å; K145-Q149 PolarHBondContact O-N 3.39Å; L146-Q149 PolarHBondContact O-N 2.9Å; Y147-Q149 VanDerWaalsContact C-N 3.28Å; Y147-Q149 PolarHBondContact O-N 3.43Å; Q149-P153 WeakPolarHBondContact O-CG 3.41Å
150L79.7Confident75.9Confident78 Ų7874.9 Ų74.941%0.40838%0.384SS..Iπ-helixtrans-110.8-48.9-173.3-63.1-174.8000112.6F106 L146 V154F106-L150 HydrophobicContact CE1-CB 4.29Å; F106-L150 HydrophobicContact CE1-CD1 4.3Å; L146-L150 HydrophobicContact CD1-CD1 3.32Å; L146-L150 HydrophobicContact CD1-CG 3.82Å; L146-L150 HydrophobicContact CG-CD1 4.04Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 PolarHBondContact O-N 2.86Å; L150-V154 VanDerWaalsContact O-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.21Å
151V76.9Confident76.2Confident13 Ų1379.3 Ų79.38%0.07940%0.402CS..Iπ-helixtrans-77.2-45.9-171.6-178.90000111.4V102 V103 F106 Y147 V154 M155V102-V151 HydrophobicContact CG1-CG1 3.62Å; V103-V151 HydrophobicContact CG2-CG2 3.94Å; F106-V151 HydrophobicContact CB-CG2 4.36Å; F106-V151 HydrophobicContact CD1-CG2 4.41Å; F106-V151 HydrophobicContact CG-CG2 4.37Å; Y147-V151 HydrophobicContact CD2-CB 3.74Å; Y147-V151 HydrophobicContact CD2-CG1 3.71Å; Y147-V151 HydrophobicContact CD2-CG2 4.34Å; Y147-V151 HydrophobicContact CE2-CB 4.17Å; Y147-V151 HydrophobicContact CE2-CG1 3.67Å; Y147-V151 HydrophobicContact CG-CB 4.3Å; Y147-V151 CarbonylContact O-C 3.39Å; Y147-V151 PolarHBondContact O-N 2.87Å; Y147-V151 VanDerWaalsContact O-N 3.1Å; V151-V154 PolarHBondContact O-N 3.31Å; V151-M155 WeakPolarHBondContact O-CB 3.43Å; V151-M155 PolarHBondContact O-N 3.04Å
152A77.8Confident76.2Confident14 Ų1478.1 Ų78.112%0.11640%0.4CS..Hα-helixtrans-60.2-45.9-176.900000112.1Y147 V154 M155 H156Y147-A152 HydrophobicContact CD1-CB 4.38Å; Y147-A152 HydrophobicContact CE1-CB 4.16Å; Y147-A152 WeakPolarHBondContact O-CB 3.4Å; Y147-A152 PolarHBondContact O-N 3.33Å; A152-V154 VanDerWaalsContact C-N 3.34Å; A152-V154 PolarHBondContact O-N 3.05Å; A152-M155 PolarHBondContact O-N 2.65Å; A152-H156 WeakPolarHBondContact O-CB 3.29Å; A152-H156 PolarHBondContact O-CD2 2.9Å; A152-H156 PolarHBondContact O-N 3.33Å
153P77.8Confident76Confident58 Ų5881.8 Ų81.838%0.37743%0.43SS..Hα-helixtrans-61.1-39.7175.8-25.836.5000113.6Q149 K157Q149-P153 WeakPolarHBondContact O-CG 3.41Å; P153-K157 WeakPolarHBondContact O-CG 3.49Å; P153-K157 PolarHBondContact O-N 3.2Å; P153-K157 VanDerWaalsContact O-N 3.1Å
154V78.2Confident75.9Confident67 Ų6785.5 Ų85.541%0.40646%0.456SS..Hα-helixtrans-64.6-44.7175.8175.20000110L150 V151 A152 H156 K157 L158L150-V154 VanDerWaalsContact O-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.21Å; V151-V154 PolarHBondContact O-N 3.31Å; A152-V154 VanDerWaalsContact C-N 3.34Å; A152-V154 PolarHBondContact O-N 3.05Å; V154-H156 PolarHBondContact O-N 3.42Å; V154-K157 PolarHBondContact O-N 3.44Å; V154-L158 HydrophobicContact CG1-CD1 4.09Å; V154-L158 WeakPolarHBondContact O-CG 3.5Å; V154-L158 PolarHBondContact O-N 3.5Å
155M75.2Confident75.6Confident85 Ų8585.3 Ų85.342%0.41946%0.462SS..Hα-helixtrans-66.8-37.4179.3-167.162.5-169.600112.8V151 A152 L158 K159V151-M155 WeakPolarHBondContact O-CB 3.43Å; V151-M155 PolarHBondContact O-N 3.04Å; A152-M155 PolarHBondContact O-N 2.65Å; M155-L158 PolarHBondContact O-N 3.34Å; M155-K159 HydrophobicContact CE-CG 4.22Å; M155-K159 WeakPolarHBondContact O-CB 3.47Å; M155-K159 WeakPolarHBondContact O-CG 3.36Å; M155-K159 PolarHBondContact O-N 3.11Å
156H76.8Confident75Confident130 Ų13085.8 Ų85.860%0.60247%0.466SS*.Hα-helixtrans-65-40.7174.9-76.9-64.7000111.9A152 V154 K159 G160A152-H156 WeakPolarHBondContact O-CB 3.29Å; A152-H156 PolarHBondContact O-CD2 2.9Å; A152-H156 PolarHBondContact O-N 3.33Å; V154-H156 PolarHBondContact O-N 3.42Å; H156-K159 PolarHBondContact O-N 3.2Å; H156-G160 PolarHBondContact O-N 3.4Å; H156-G160 VanDerWaalsContact O-N 3.07Å
157K75.5Confident74.2Confident170 Ų17089.2 Ų89.274%0.73949%0.49SS*.Hα-helixtrans-63.1-42173.6-73.3179.9-179.7-173.50111.8P153 V154 G160 H161P153-K157 WeakPolarHBondContact O-CG 3.49Å; P153-K157 PolarHBondContact O-N 3.2Å; P153-K157 VanDerWaalsContact O-N 3.1Å; V154-K157 PolarHBondContact O-N 3.44Å; K157-G160 PolarHBondContact O-N 3.43Å; K157-H161 PolarHBondContact O-N 2.92Å
158L75.8Confident73.8Confident94 Ų9497.4 Ų97.449%0.49252%0.52SS..Hα-helixtrans-66.1-43.5176.7-70.3172.1000112.3V154 M155 G160 H161 V162V154-L158 HydrophobicContact CG1-CD1 4.09Å; V154-L158 WeakPolarHBondContact O-CG 3.5Å; V154-L158 PolarHBondContact O-N 3.5Å; M155-L158 PolarHBondContact O-N 3.34Å; L158-G160 VanDerWaalsContact C-N 3.29Å; L158-G160 PolarHBondContact O-N 2.89Å; L158-H161 WeakPolarHBondContact O-CB 3.46Å; L158-H161 PolarHBondContact O-N 3.49Å; L158-H161 VanDerWaalsContact O-N 3.08Å; L158-V162 WeakPolarHBondContact O-CG2 3.32Å; L158-V162 PolarHBondContact O-N 3.03Å
159K74.2Confident72.4Confident125 Ų125105.8 Ų105.854%0.54355%0.55SS..Hα-helixtrans-59.4-39.9174.9-78.3-176.2177.5-176.60112.1M155 H156 H161 V162 A163M155-K159 HydrophobicContact CE-CG 4.22Å; M155-K159 WeakPolarHBondContact O-CB 3.47Å; M155-K159 WeakPolarHBondContact O-CG 3.36Å; M155-K159 PolarHBondContact O-N 3.11Å; H156-K159 PolarHBondContact O-N 3.2Å; K159-H161 VanDerWaalsContact C-N 3.3Å; K159-H161 PolarHBondContact O-N 3.01Å; K159-V162 PolarHBondContact O-N 3.27Å; K159-A163 VanDerWaalsContact O-CB 3.24Å; K159-A163 WeakPolarHBondContact O-CB 2.95Å; K159-A163 PolarHBondContact O-N 3.36Å
160G73.3Confident72Confident48 Ų48104.2 Ų104.250%0.49555%0.545SS..Hα-helixtrans-61.2-38.2174.100000112.7H156 K157 L158 S164H156-G160 PolarHBondContact O-N 3.4Å; H156-G160 VanDerWaalsContact O-N 3.07Å; K157-G160 PolarHBondContact O-N 3.43Å; L158-G160 VanDerWaalsContact C-N 3.29Å; L158-G160 PolarHBondContact O-N 2.89Å; G160-S164 PolarHBondContact O-N 3.08Å
161H72.4Confident71.6Confident126 Ų126105.6 Ų105.658%0.58355%0.552SS**Hα-helixtrans-71.2-45.2176.1-16573.6000112.3K157 L158 K159 A163 S164 V165K157-H161 PolarHBondContact O-N 2.92Å; L158-H161 WeakPolarHBondContact O-CB 3.46Å; L158-H161 PolarHBondContact O-N 3.49Å; L158-H161 VanDerWaalsContact O-N 3.08Å; K159-H161 VanDerWaalsContact C-N 3.3Å; K159-H161 PolarHBondContact O-N 3.01Å; H161-A163 PolarHBondContact O-N 3.13Å; H161-S164 PolarHBondContact O-N 3.07Å; H161-S164 VanDerWaalsContact O-N 3.12Å; H161-S164 PolarHBondContact O-OG 3.37Å; H161-V165 WeakPolarHBondContact O-CG2 3.2Å; H161-V165 PolarHBondContact O-N 3.01Å
162V70.3Confident71.3Confident82 Ų82110.7 Ų110.750%0.49758%0.578SS.*Hα-helixtrans-63.7-43.1178.11750000111.2L158 K159 S164 V165 E166L158-V162 WeakPolarHBondContact O-CG2 3.32Å; L158-V162 PolarHBondContact O-N 3.03Å; K159-V162 PolarHBondContact O-N 3.27Å; V162-S164 PolarHBondContact O-N 2.82Å; V162-V165 PolarHBondContact O-N 3.15Å; V162-E166 PolarHBondContact O-N 2.65Å
163A71.4Confident70.9Confident78 Ų78116.4 Ų116.465%0.64561%0.606SS**Hα-helixtrans-63.6-21.4176.100000113.4K159 H161K159-A163 VanDerWaalsContact O-CB 3.24Å; K159-A163 WeakPolarHBondContact O-CB 2.95Å; K159-A163 PolarHBondContact O-N 3.36Å; H161-A163 PolarHBondContact O-N 3.13Å
164S71.4Confident70.5Confident88 Ų88120.1 Ų120.162%0.61562%0.62SS**Hα-helixtrans-84-17173.8730000114G160 H161 V162G160-S164 PolarHBondContact O-N 3.08Å; H161-S164 PolarHBondContact O-N 3.07Å; H161-S164 VanDerWaalsContact O-N 3.12Å; H161-S164 PolarHBondContact O-OG 3.37Å; V162-S164 PolarHBondContact O-N 2.82Å
165V68.9Low69.9Low101 Ų101123.6 Ų123.661%0.61263%0.634SS**Hα-helixtrans-100.4-29.6-177.5176.50000111.9H161 V162 P167H161-V165 WeakPolarHBondContact O-CG2 3.2Å; H161-V165 PolarHBondContact O-N 3.01Å; V162-V165 PolarHBondContact O-N 3.15Å; V165-P167 WeakPolarHBondContact O-CD 3.47Å
166E65.6Low69.6Low123 Ų123126.4 Ų126.458%0.57565%0.65SS**SBendtrans-75.6117.3177.9-159.798.7-151.700110.4V162 R168V162-E166 PolarHBondContact O-N 2.65Å; E166-R168 PolarHBondContact O-N 3.26Å
167P61.7Low69Low99 Ų99126.1 Ų126.164%0.64365%0.653SS**  trans-62.6127169.225.4-30.3000108.2V165 K169V165-P167 WeakPolarHBondContact O-CD 3.47Å; P167-K169 PolarHBondContact O-N 2.87Å
168R66.4Low68.5Low248 Ų248122.4 Ų122.494%0.93665%0.646SS**  trans-50106.8169.6-73.1-172-72.5-168.4-5.4107.8E166E166-R168 PolarHBondContact O-N 3.26Å
169K50.2Low67.8Low257 Ų257125 Ų125100%1.11766%0.66SS**  trans-68.90166.4-70.8-173.2-178.91790109.7P167P167-K169 PolarHBondContact O-N 2.87Å

Retrieved 169 of 169 residues in 373 ms (Link to these results)

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