A0A077Z205_TRITR Loading...

Solute carrier family 25 member 46

AlphaFold DB , UniProt , Accession A0A077Z205, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 345 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
1M37.2Very low37.2Very low81 Ų8165.3 Ų65.340%0.39939%0.393SS..  0111.90-164.3161.7-174.200106.4K3 E23 N24 S27 R80 E219M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.22Å; M1-E23 HydrophobicContact CE-CG 4.49Å; M1-N24 WeakPolarHBondContact CE-OD1 3.3Å; M1-S27 WeakPolarHBondContact CE-OG 3.49Å; M1-R80 PolarHBondContact SD-NH2 3.41Å; M1-E219 PolarHBondContact N-OE1 3.1Å
2V34.9Very low36.7Very low11 Ų1167.9 Ų67.97%0.06741%0.413CS..  trans-64.488.7-177.3-178.90000107.9F4 F212 N215 Y287V2-F4 PolarHBondContact O-N 3.29Å; V2-F212 HydrophobicContact CB-CD1 4.31Å; V2-F212 HydrophobicContact CB-CE1 3.93Å; V2-F212 HydrophobicContact CG1-CD1 4.01Å; V2-F212 HydrophobicContact CG1-CE1 3.71Å; V2-F212 HydrophobicContact CG1-CE2 4.49Å; V2-F212 HydrophobicContact CG1-CZ 3.96Å; V2-F212 HydrophobicContact CG2-CD1 3.74Å; V2-F212 HydrophobicContact CG2-CE1 3.78Å; V2-N215 HydrophobicContact CG2-CB 3.91Å; V2-N215 VanDerWaalsContact CG2-ND2 3.26Å; V2-N215 WeakPolarHBondContact CG2-ND2 3.45Å; V2-Y287 HydrophobicContact CG2-CE1 3.75Å
3K46.9Very low36.9Very low131 Ų13170.1 Ų70.157%0.5743%0.432SS*.  trans-58106.8172.3-78.3-176.6176.4-177.20105.8M1 S5 A6M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.22Å; K3-S5 PolarHBondContact O-N 3.28Å; K3-A6 HydrophobicContact CB-CB 4.15Å; K3-A6 VanDerWaalsContact O-CB 3.32Å; K3-A6 WeakPolarHBondContact O-CB 3.48Å; K3-A6 PolarHBondContact O-N 3.39Å
4F36.3Very low36.8Very low78 Ų7875.1 Ų75.134%0.34246%0.455SS..G310 helixtrans-55.4-25.8169.7-97-88.4000110.9V2 A6 V7 E23 F212 V294V2-F4 PolarHBondContact O-N 3.29Å; F4-A6 VanDerWaalsContact C-N 3.26Å; F4-A6 PolarHBondContact O-N 3.16Å; F4-V7 WeakPolarHBondContact O-CB 3.45Å; F4-V7 PolarHBondContact O-N 3.29Å; F4-V7 VanDerWaalsContact O-N 3.1Å; F4-E23 HydrophobicContact CD2-CG 4.27Å; F4-E23 PolarHBondContact N-OE2 2.7Å; F4-F212 HydrophobicContact CE1-CE2 4.44Å; F4-F212 HydrophobicContact CE2-CE2 4.46Å; F4-F212 AromaticContact CE2-CZ 3.75Å; F4-F212 HydrophobicContact CE2-CZ 3.75Å; F4-F212 AromaticContact CZ-CE2 3.92Å; F4-F212 HydrophobicContact CZ-CE2 3.92Å; F4-F212 AromaticContact CZ-CZ 3.63Å; F4-F212 HydrophobicContact CZ-CZ 3.63Å; F4-V294 HydrophobicContact CZ-CG2 4.11Å
5S36.2Very low36.8Very low64 Ų6482.1 Ų82.145%0.44847%0.472SS..G310 helixtrans-59-28.9170.3-163.50000114.2K3 V7 G8K3-S5 PolarHBondContact O-N 3.28Å; S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.09Å; S5-G8 PolarHBondContact O-N 3.36Å
6A37.8Very low36.9Very low47 Ų4784.9 Ų84.939%0.38848%0.481SS..G310 helixtrans-75.9-11.717600000113.6K3 F4 G8K3-A6 HydrophobicContact CB-CB 4.15Å; K3-A6 VanDerWaalsContact O-CB 3.32Å; K3-A6 WeakPolarHBondContact O-CB 3.48Å; K3-A6 PolarHBondContact O-N 3.39Å; F4-A6 VanDerWaalsContact C-N 3.26Å; F4-A6 PolarHBondContact O-N 3.16Å; A6-G8 PolarHBondContact O-N 3.08Å
7V39.3Very low37.2Very low6 Ų685.2 Ų85.24%0.03649%0.49CS..G310 helixtrans-78.94.5175.3-170.70000111.3F4 S5 I9 E207 V208 A211F4-V7 WeakPolarHBondContact O-CB 3.45Å; F4-V7 PolarHBondContact O-N 3.29Å; F4-V7 VanDerWaalsContact O-N 3.1Å; S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.09Å; V7-I9 HydrophobicContact CB-CD1 4.34Å; V7-I9 HydrophobicContact CG1-CD1 3.72Å; V7-I9 HydrophobicContact CG1-CG1 4.25Å; V7-I9 PolarHBondContact O-N 3.21Å; V7-E207 HydrophobicContact CG1-CG 4.18Å; V7-V208 HydrophobicContact CG1-CG2 4.01Å; V7-A211 HydrophobicContact CG2-CB 4.28Å
8G33.2Very low38.1Very low61 Ų6185.4 Ų85.463%0.62949%0.49SS*.THydrogen-bonded Turntrans65.414.4169.600000114.9S5 A6 P10S5-G8 PolarHBondContact O-N 3.36Å; A6-G8 PolarHBondContact O-N 3.08Å; G8-P10 WeakPolarHBondContact O-CD 3.49Å
9I37.5Very low39.5Very low80 Ų8084.5 Ų84.541%0.4149%0.487SS..  trans-90.2108.8177.1-59.7157.8000107.6V7 F204V7-I9 HydrophobicContact CB-CD1 4.34Å; V7-I9 HydrophobicContact CG1-CD1 3.72Å; V7-I9 HydrophobicContact CG1-CG1 4.25Å; V7-I9 PolarHBondContact O-N 3.21Å; I9-F204 HydrophobicContact CD1-CD2 4.37Å; I9-F204 HydrophobicContact CD1-CE2 3.4Å; I9-F204 VanDerWaalsContact CD1-CE2 3.4Å; I9-F204 HydrophobicContact CD1-CZ 3.86Å; I9-F204 HydrophobicContact CG1-CE2 4.16Å
10P34.6Very low40.7Very low111 Ų11184.1 Ų84.172%0.72148%0.483SS*.PPolyproline II helixtrans-63.5126.2168.427-31.8000107.8G8G8-P10 WeakPolarHBondContact O-CD 3.49Å
11P35Very low42.1Very low48 Ų4884 Ų8431%0.31248%0.48SS..PPolyproline II helixtrans-63.2148.3172.827.9-33000108.9S13 M16P11-S13 PolarHBondContact O-N 3.16Å; P11-M16 HydrophobicContact CG-CB 4.27Å; P11-M16 HydrophobicContact CG-CG 3.5Å; P11-M16 HydrophobicContact CG-SD 3.61Å
12P32Very low44Very low97 Ų9784 Ų8463%0.6349%0.485SS*.PPolyproline II helixtrans-53.4131.4173.222.8-32000108.6N14 Y15P12-N14 PolarHBondContact O-N 2.89Å; P12-Y15 PolarHBondContact O-N 3.1Å; P12-Y15 VanDerWaalsContact O-N 3.12Å
13S38.7Very low45.8Very low96 Ų9684.3 Ų84.367%0.67149%0.485SS*.THydrogen-bonded Turntrans-54.7-4.7-164.146.90000116.5P11P11-S13 PolarHBondContact O-N 3.16Å
14N35.8Very low47.3Very low141 Ų14178.9 Ų78.975%0.75446%0.462SS*.THydrogen-bonded Turntrans-115.13.2-175.4-64.9-23.1000114.8P12P12-N14 PolarHBondContact O-N 2.89Å
15Y37.2Very low49.6Very low180 Ų18080.3 Ų80.371%0.70647%0.469SS*.SBendtrans-132.234.8178.7-70.9-77.8000114P12 S17P12-Y15 PolarHBondContact O-N 3.1Å; P12-Y15 VanDerWaalsContact O-N 3.12Å; Y15-S17 PolarHBondContact O-N 3.3Å
16M37.4Very low51.9Low126 Ų12681 Ų8162%0.62147%0.467SS*.THydrogen-bonded Turntrans-89.39.3-156.5-162.2147.775.600116.8P11P11-M16 HydrophobicContact CG-CB 4.27Å; P11-M16 HydrophobicContact CG-CG 3.5Å; P11-M16 HydrophobicContact CG-SD 3.61Å
17S42.4Very low54.2Low90 Ų9078.8 Ų78.863%0.62945%0.449SS*.THydrogen-bonded Turntrans-106.9-18.3-179.444.80000115.3Y15Y15-S17 PolarHBondContact O-N 3.3Å
18N53.5Low56.4Low90 Ų9078.7 Ų78.748%0.48145%0.448SS..SBendtrans-96.9-22.1-166.3-66.2-25.8000118.5L20 L21 V22N18-L20 VanDerWaalsContact C-N 3.35Å; N18-L20 PolarHBondContact O-N 3.03Å; N18-L21 PolarHBondContact O-N 3.02Å; N18-V22 WeakPolarHBondContact O-CG2 3.49Å; N18-V22 PolarHBondContact O-N 3.48Å
19P64.6Low59.1Low68 Ų6876.1 Ų76.144%0.44242%0.42SS..Hα-helixtrans-67.4-36.6-169.125.3-32.5000112.5V22 E23P19-V22 PolarHBondContact O-N 3.1Å; P19-E23 WeakPolarHBondContact O-CB 3.4Å; P19-E23 PolarHBondContact O-N 3.12Å
20L63.5Low61.7Low76 Ų7673.6 Ų73.640%0.39841%0.406SS..Hα-helixtrans-64.7-44.1177.2-71.5167.1000111.4N18 E23 N24N18-L20 VanDerWaalsContact C-N 3.35Å; N18-L20 PolarHBondContact O-N 3.03Å; L20-E23 PolarHBondContact O-N 2.92Å; L20-N24 VanDerWaalsContact O-CB 3.23Å; L20-N24 WeakPolarHBondContact O-CB 3.37Å; L20-N24 PolarHBondContact O-N 3.37Å; L20-N24 PolarHBondContact O-ND2 3.29Å
21L71Confident64.3Low83 Ų8369.3 Ų69.344%0.43538%0.378SS..Hα-helixtrans-64.8-42.3178.8-70175.2000111.5N18 N24 F25 I77N18-L21 PolarHBondContact O-N 3.02Å; L21-N24 PolarHBondContact O-N 3.01Å; L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.4Å; L21-F25 PolarHBondContact O-N 3.38Å; L21-I77 HydrophobicContact CD2-CG1 4.43Å; L21-I77 HydrophobicContact CD2-CG2 4.48Å
22V76.4Confident66.9Low81 Ų8167.2 Ų67.249%0.49136%0.364SS..Hα-helixtrans-64.1-46.4177.3173.80000110.9N18 P19 N24 F25 L26N18-V22 WeakPolarHBondContact O-CG2 3.49Å; N18-V22 PolarHBondContact O-N 3.48Å; P19-V22 PolarHBondContact O-N 3.1Å; V22-N24 VanDerWaalsContact C-N 3.31Å; V22-N24 PolarHBondContact O-N 3.05Å; V22-F25 PolarHBondContact O-N 3.41Å; V22-L26 HydrophobicContact CG1-CD1 3.73Å; V22-L26 HydrophobicContact CG1-CG 4.31Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.43Å; V22-L26 PolarHBondContact O-N 3.15Å
23E72.8Confident69.7Low16 Ų1662.9 Ų62.98%0.07534%0.336CS..Hα-helixtrans-59.9-43.5177.4-168.7-162.413600111.6M1 F4 P19 L20 S27M1-E23 HydrophobicContact CE-CG 4.49Å; F4-E23 HydrophobicContact CD2-CG 4.27Å; F4-E23 PolarHBondContact N-OE2 2.7Å; P19-E23 WeakPolarHBondContact O-CB 3.4Å; P19-E23 PolarHBondContact O-N 3.12Å; L20-E23 PolarHBondContact O-N 2.92Å; E23-S27 VanDerWaalsContact O-CB 3.31Å; E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 3.01Å; E23-S27 PolarHBondContact O-OG 3.04Å
24N77.3Confident72.2Confident17 Ų1759.2 Ų59.29%0.09131%0.307CS..Hα-helixtrans-63.8-43.9178.2-72.1-23.3000112.4M1 L20 L21 V22 S27 L28 R80M1-N24 WeakPolarHBondContact CE-OD1 3.3Å; L20-N24 VanDerWaalsContact O-CB 3.23Å; L20-N24 WeakPolarHBondContact O-CB 3.37Å; L20-N24 PolarHBondContact O-N 3.37Å; L20-N24 PolarHBondContact O-ND2 3.29Å; L21-N24 PolarHBondContact O-N 3.01Å; V22-N24 VanDerWaalsContact C-N 3.31Å; V22-N24 PolarHBondContact O-N 3.05Å; N24-S27 PolarHBondContact O-OG 3.46Å; N24-L28 WeakPolarHBondContact O-CB 3.36Å; N24-L28 PolarHBondContact O-N 3.37Å; N24-R80 VanDerWaalsContact CB-NH1 3.27Å; N24-R80 VanDerWaalsContact CG-CD 3.47Å; N24-R80 WeakPolarHBondContact ND2-CD 3.36Å; N24-R80 PolarHBondContact ND2-NE 3.12Å; N24-R80 PolarHBondContact OD1-NE 2.94Å; N24-R80 PolarHBondContact OD1-NH1 3.41Å; N24-R80 PolarHBondContact OD1-NH2 2.91Å
25F84.4Confident74.7Confident109 Ų10953.6 Ų53.648%0.47828%0.275SS..Hα-helixtrans-67.2-43.5179.9-173.6-94.8000111.6L21 V22 W70 V73L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.4Å; L21-F25 PolarHBondContact O-N 3.38Å; V22-F25 PolarHBondContact O-N 3.41Å; F25-W70 HydrophobicContact CD1-CZ2 4.33Å; F25-W70 AromaticContact CD1-NE1 3.79Å; F25-W70 AromaticContact CD2-CD1 3.69Å; F25-W70 AromaticContact CD2-NE1 3.43Å; F25-W70 AromaticContact CE1-CE2 3.88Å; F25-W70 AromaticContact CE1-CZ2 3.84Å; F25-W70 HydrophobicContact CE1-CZ2 3.84Å; F25-W70 AromaticContact CE1-NE1 3.65Å; F25-W70 AromaticContact CE2-CD1 3.41Å; F25-W70 VanDerWaalsContact CE2-CD1 3.41Å; F25-W70 HydrophobicContact CE2-CG 4.3Å; F25-W70 AromaticContact CE2-NE1 3.28Å; F25-W70 VanDerWaalsContact CE2-NE1 3.28Å; F25-W70 AromaticContact CG-NE1 3.68Å; F25-W70 AromaticContact CZ-CD1 3.89Å; F25-W70 HydrophobicContact CZ-CD2 4.44Å; F25-W70 AromaticContact CZ-CE2 3.73Å; F25-W70 HydrophobicContact CZ-CZ2 4.1Å; F25-W70 AromaticContact CZ-NE1 3.39Å; F25-W70 PolarHBondContact O-NE1 3.47Å; F25-V73 HydrophobicContact CD2-CG2 4.28Å
26L85.4Confident77.3Confident79 Ų7945.1 Ų45.141%0.41424%0.242SC..Hα-helixtrans-68.3-33.9179.6-71.5173.1000113V22 F30 L293V22-L26 HydrophobicContact CG1-CD1 3.73Å; V22-L26 HydrophobicContact CG1-CG 4.31Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.43Å; V22-L26 PolarHBondContact O-N 3.15Å; L26-F30 WeakPolarHBondContact O-CE2 3.34Å; L26-L293 HydrophobicContact CD1-CD2 4.29Å
27S85.6Confident79.9Confident0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-82.9-19.2-178.957.30000113.9M1 E23 N24 F30 V31M1-S27 WeakPolarHBondContact CE-OG 3.49Å; E23-S27 VanDerWaalsContact O-CB 3.31Å; E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 3.01Å; E23-S27 PolarHBondContact O-OG 3.04Å; N24-S27 PolarHBondContact O-OG 3.46Å; S27-F30 PolarHBondContact O-N 3.26Å; S27-V31 WeakPolarHBondContact O-CG2 3.34Å; S27-V31 PolarHBondContact O-N 3.07Å; S27-V31 VanDerWaalsContact O-N 3.1Å
28L86.7Confident82.2Confident3 Ų335 Ų352%0.01618%0.184CC..Hα-helixtrans-57.6-45.4-171-169.864.5000114.2N24 F30 V31 V32 W70 V73 L131N24-L28 WeakPolarHBondContact O-CB 3.36Å; N24-L28 PolarHBondContact O-N 3.37Å; L28-F30 VanDerWaalsContact C-N 3.27Å; L28-F30 PolarHBondContact O-N 3.47Å; L28-V31 PolarHBondContact O-N 2.95Å; L28-V31 VanDerWaalsContact O-N 3.11Å; L28-V32 HydrophobicContact CD1-CG2 4.21Å; L28-V32 HydrophobicContact CG-CG2 4.18Å; L28-V32 WeakPolarHBondContact O-CG2 3.5Å; L28-V32 PolarHBondContact O-N 3.15Å; L28-W70 HydrophobicContact CD2-CB 4.22Å; L28-W70 HydrophobicContact CD2-CG 4.15Å; L28-V73 HydrophobicContact CD2-CB 3.46Å; L28-V73 VanDerWaalsContact CD2-CB 3.46Å; L28-V73 HydrophobicContact CD2-CG2 3.74Å; L28-L131 HydrophobicContact CD1-CD2 3.83Å
29P90.1Very high84Confident8 Ų830.8 Ų30.85%0.05216%0.162CC..Hα-helixtrans-53.7-43.5177.5-30.138.4000113.5V32 L33 L69 W70P29-V32 PolarHBondContact O-N 2.88Å; P29-L33 WeakPolarHBondContact O-CB 3.28Å; P29-L33 VanDerWaalsContact O-CG 3.24Å; P29-L33 WeakPolarHBondContact O-CG 3.47Å; P29-L33 PolarHBondContact O-N 3.29Å; P29-L69 WeakPolarHBondContact CA-O 3.24Å; P29-L69 HydrophobicContact CB-CB 3.97Å; P29-L69 HydrophobicContact CB-CD1 4.43Å; P29-L69 HydrophobicContact CG-CB 4.26Å; P29-W70 HydrophobicContact CG-CD2 3.9Å; P29-W70 HydrophobicContact CG-CE3 3.92Å; P29-W70 HydrophobicContact CG-CH2 3.37Å; P29-W70 HydrophobicContact CG-CZ2 3.33Å; P29-W70 HydrophobicContact CG-CZ3 3.66Å
30F91.6Very high85.2Confident26 Ų2627.7 Ų27.711%0.11414%0.141CC..Hα-helixtrans-72.7-36-178.8-51.6-69.7000111.7L26 S27 L28 R34 L285 Q286 I289L26-F30 WeakPolarHBondContact O-CE2 3.34Å; S27-F30 PolarHBondContact O-N 3.26Å; L28-F30 VanDerWaalsContact C-N 3.27Å; L28-F30 PolarHBondContact O-N 3.47Å; F30-R34 WeakPolarHBondContact O-CB 3.45Å; F30-R34 PolarHBondContact O-N 2.97Å; F30-L285 HydrophobicContact CD1-CB 4.27Å; F30-L285 HydrophobicContact CD1-CD2 4.01Å; F30-L285 HydrophobicContact CD1-CG 4.01Å; F30-L285 HydrophobicContact CE1-CB 4.4Å; F30-L285 HydrophobicContact CE1-CD2 3.66Å; F30-L285 HydrophobicContact CE1-CG 3.66Å; F30-Q286 HydrophobicContact CB-CB 3.69Å; F30-Q286 HydrophobicContact CB-CG 4.05Å; F30-Q286 HydrophobicContact CD1-CB 4.43Å; F30-Q286 HydrophobicContact CD2-CB 4.04Å; F30-Q286 HydrophobicContact CD2-CG 3.98Å; F30-Q286 HydrophobicContact CG-CB 3.76Å; F30-Q286 HydrophobicContact CG-CG 4.16Å; F30-I289 HydrophobicContact CE1-CD1 3.62Å; F30-I289 HydrophobicContact CE2-CD1 4.03Å; F30-I289 HydrophobicContact CZ-CD1 3.18Å; F30-I289 HydrophobicContact CZ-CG1 4.5Å
31V88.3Confident86.4Confident21 Ų2125 Ų2513%0.12713%0.13CC..Hα-helixtrans-62.2-51.2173176.30000109.5S27 L28 L33 R34 R35S27-V31 WeakPolarHBondContact O-CG2 3.34Å; S27-V31 PolarHBondContact O-N 3.07Å; S27-V31 VanDerWaalsContact O-N 3.1Å; L28-V31 PolarHBondContact O-N 2.95Å; L28-V31 VanDerWaalsContact O-N 3.11Å; V31-L33 PolarHBondContact O-N 3.41Å; V31-R34 PolarHBondContact O-N 3.41Å; V31-R35 HydrophobicContact CG1-CG 4.06Å; V31-R35 VanDerWaalsContact O-CB 3.32Å; V31-R35 WeakPolarHBondContact O-CB 3.48Å; V31-R35 WeakPolarHBondContact O-CG 3.3Å; V31-R35 PolarHBondContact O-N 2.74Å
32V89.3Confident87.2Confident4 Ų426.4 Ų26.42%0.02414%0.142CC..Hα-helixtrans-56.4-54.2178.6172.40000110.4L28 P29 R34 R35 Q36 L69 L131L28-V32 HydrophobicContact CD1-CG2 4.21Å; L28-V32 HydrophobicContact CG-CG2 4.18Å; L28-V32 WeakPolarHBondContact O-CG2 3.5Å; L28-V32 PolarHBondContact O-N 3.15Å; P29-V32 PolarHBondContact O-N 2.88Å; V32-R34 PolarHBondContact O-N 3.48Å; V32-R35 PolarHBondContact O-N 2.73Å; V32-Q36 HydrophobicContact CG1-CG 4.15Å; V32-Q36 WeakPolarHBondContact O-CB 3.37Å; V32-Q36 WeakPolarHBondContact O-CG 3.45Å; V32-Q36 PolarHBondContact O-N 3.33Å; V32-L69 WeakPolarHBondContact CG2-O 3.26Å; V32-L131 HydrophobicContact CG2-CD2 3.72Å
33L91.2Very high87.8Confident6 Ų623 Ų233%0.03112%0.122CC..Hα-helixtrans-57.4-46.1179.9-71.3169.8000112.6P29 V31 C37 V57 L60 L69 M244 A282P29-L33 WeakPolarHBondContact O-CB 3.28Å; P29-L33 VanDerWaalsContact O-CG 3.24Å; P29-L33 WeakPolarHBondContact O-CG 3.47Å; P29-L33 PolarHBondContact O-N 3.29Å; V31-L33 PolarHBondContact O-N 3.41Å; L33-C37 PolarHBondContact O-N 3.3Å; L33-C37 VanDerWaalsContact O-N 3.16Å; L33-C37 PolarHBondContact O-SG 3.41Å; L33-V57 HydrophobicContact CD1-CG2 3.68Å; L33-V57 HydrophobicContact CD2-CG2 3.95Å; L33-V57 HydrophobicContact CG-CG2 4.5Å; L33-L60 HydrophobicContact CD2-CD1 4.13Å; L33-L69 HydrophobicContact CD1-CD2 4.06Å; L33-L69 HydrophobicContact CD2-CD2 3.78Å; L33-L69 HydrophobicContact CG-CD2 3.83Å; L33-M244 HydrophobicContact CD2-CE 3.64Å; L33-M244 HydrophobicContact CD2-SD 4.42Å; L33-A282 HydrophobicContact CB-CB 4.21Å
34R91.6Very high88.4Confident19 Ų1929.3 Ų29.37%0.07216%0.155CC..Hα-helixtrans-59.6-49.3177.2179.3172.758.7171.3-7.4111.1F30 V31 V32 C37 Q38 E219 Y223 A282F30-R34 WeakPolarHBondContact O-CB 3.45Å; F30-R34 PolarHBondContact O-N 2.97Å; V31-R34 PolarHBondContact O-N 3.41Å; V32-R34 PolarHBondContact O-N 3.48Å; R34-C37 WeakPolarHBondContact O-CB 3.21Å; R34-C37 PolarHBondContact O-N 3.44Å; R34-Q38 HydrophobicContact CG-CG 4.39Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.21Å; R34-E219 IonicContact NH1-OE2 3.68Å; R34-E219 PolarHBondContact NH1-OE2 2.97Å; R34-Y223 HydrophobicContact CG-CE2 4.49Å; R34-Y223 WeakPolarHBondContact CG-OH 2.82Å; R34-A282 HydrophobicContact CB-CB 3.83Å
35R89.2Confident88.8Confident23 Ų2334.6 Ų34.69%0.08717%0.173CC..Hα-helixtrans-62.7-45.4-177.3-71.9-33.3-179.5-157.24.6111.1V31 V32 C37 Q38 V39 F128 F132 Y230V31-R35 HydrophobicContact CG1-CG 4.06Å; V31-R35 VanDerWaalsContact O-CB 3.32Å; V31-R35 WeakPolarHBondContact O-CB 3.48Å; V31-R35 WeakPolarHBondContact O-CG 3.3Å; V31-R35 PolarHBondContact O-N 2.74Å; V32-R35 PolarHBondContact O-N 2.73Å; R35-C37 VanDerWaalsContact C-N 3.26Å; R35-C37 PolarHBondContact O-N 3Å; R35-Q38 PolarHBondContact O-N 2.96Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; R35-V39 WeakPolarHBondContact O-CG2 3.36Å; R35-V39 PolarHBondContact O-N 3.1Å; R35-F128 HydrophobicContact CG-CE1 4.05Å; R35-F132 HydrophobicContact CB-CE1 3.79Å; R35-F132 HydrophobicContact CB-CE2 4.39Å; R35-F132 HydrophobicContact CB-CZ 3.5Å; R35-F132 HydrophobicContact CG-CZ 4.45Å; R35-F132 WeakPolarHBondContact O-CE1 3.37Å; R35-F132 WeakPolarHBondContact O-CZ 3.48Å; R35-Y230 VanDerWaalsContact NH1-CD2 3.35Å; R35-Y230 PolarHBondContact NH1-OH 3.2Å; R35-Y230 PolarHBondContact NH2-OH 2.94Å
36Q90.3Very high88.9Confident2 Ų230.5 Ų30.51%0.00916%0.158CC..Hα-helixtrans-55.7-41.7175.9-65.8-76.9-12.600111.2V32 N40 L131 F132 I241 M244V32-Q36 HydrophobicContact CG1-CG 4.15Å; V32-Q36 WeakPolarHBondContact O-CB 3.37Å; V32-Q36 WeakPolarHBondContact O-CG 3.45Å; V32-Q36 PolarHBondContact O-N 3.33Å; Q36-N40 WeakPolarHBondContact O-CB 3.36Å; Q36-N40 PolarHBondContact O-N 3.31Å; Q36-L131 PolarHBondContact NE2-O 3Å; Q36-F132 HydrophobicContact CG-CD1 4.38Å; Q36-F132 HydrophobicContact CG-CE1 4.36Å; Q36-I241 VanDerWaalsContact OE1-CB 3.23Å; Q36-M244 HydrophobicContact CB-CG 3.69Å; Q36-M244 HydrophobicContact CB-SD 3.84Å
37C91.9Very high89.2Confident3 Ų327 Ų272%0.0214%0.14CC..Hα-helixtrans-68.2-43.8175.4-62.30000113.2L33 R34 R35 V39 N40 K278L33-C37 PolarHBondContact O-N 3.3Å; L33-C37 VanDerWaalsContact O-N 3.16Å; L33-C37 PolarHBondContact O-SG 3.41Å; R34-C37 WeakPolarHBondContact O-CB 3.21Å; R34-C37 PolarHBondContact O-N 3.44Å; R35-C37 VanDerWaalsContact C-N 3.26Å; R35-C37 PolarHBondContact O-N 3Å; C37-V39 VanDerWaalsContact C-N 3.33Å; C37-V39 PolarHBondContact O-N 3.24Å; C37-N40 PolarHBondContact O-N 3.39Å; C37-K278 WeakPolarHBondContact O-CB 3.1Å
38Q92.3Very high89.3Confident1 Ų133.1 Ų33.11%0.00516%0.163CC..Hα-helixtrans-64.8-35.4-173.6-77.5-179.9-57.800113.5R34 R35 Y223 T227 R231 K278R34-Q38 HydrophobicContact CG-CG 4.39Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.21Å; R35-Q38 PolarHBondContact O-N 2.96Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; Q38-Y223 HydrophobicContact CG-CE1 4.38Å; Q38-Y223 PolarHBondContact NE2-OH 3.42Å; Q38-T227 HydrophobicContact CB-CG2 4.38Å; Q38-T227 PolarHBondContact NE2-OG1 3.3Å; Q38-R231 PolarHBondContact O-NE 3.13Å; Q38-R231 PolarHBondContact O-NH2 3.48Å; Q38-K278 WeakPolarHBondContact CG-O 3.33Å
39V89.5Confident89.5Confident2 Ų236.3 Ų36.31%0.01218%0.182CC..Hα-helixtrans-89.3-16.8-176.6-57.20000113.3R35 C37 A41 F132 L234 I241 I253R35-V39 WeakPolarHBondContact O-CG2 3.36Å; R35-V39 PolarHBondContact O-N 3.1Å; C37-V39 VanDerWaalsContact C-N 3.33Å; C37-V39 PolarHBondContact O-N 3.24Å; V39-A41 PolarHBondContact O-N 3Å; V39-F132 HydrophobicContact CB-CE1 4.34Å; V39-F132 HydrophobicContact CB-CZ 4.1Å; V39-F132 HydrophobicContact CG1-CE1 4.13Å; V39-F132 HydrophobicContact CG1-CE2 4.01Å; V39-F132 HydrophobicContact CG1-CZ 3.42Å; V39-F132 VanDerWaalsContact CG1-CZ 3.42Å; V39-F132 HydrophobicContact CG2-CD1 4.02Å; V39-F132 HydrophobicContact CG2-CE1 3.31Å; V39-F132 HydrophobicContact CG2-CE2 4.44Å; V39-F132 HydrophobicContact CG2-CZ 3.55Å; V39-L234 HydrophobicContact CB-CD1 3.57Å; V39-L234 HydrophobicContact CG1-CD1 3.53Å; V39-L234 HydrophobicContact CG1-CG 4.36Å; V39-L234 HydrophobicContact CG2-CD1 3.68Å; V39-I241 HydrophobicContact CG2-CD1 4.3Å; V39-I241 HydrophobicContact CG2-CG2 4.04Å; V39-I253 HydrophobicContact CB-CD1 4.43Å; V39-I253 HydrophobicContact CG2-CD1 4.15Å; V39-I253 WeakPolarHBondContact O-CD1 2.94Å
40N90.6Very high89.5Confident2 Ų237.1 Ų37.11%0.01119%0.188CC..  trans-75.490.6178.2-169.8-7.3000110.8Q36 C37 V42 A43 I241 K278Q36-N40 WeakPolarHBondContact O-CB 3.36Å; Q36-N40 PolarHBondContact O-N 3.31Å; C37-N40 PolarHBondContact O-N 3.39Å; N40-V42 VanDerWaalsContact C-N 3.28Å; N40-V42 PolarHBondContact O-N 3.45Å; N40-V42 PolarHBondContact OD1-N 3.33Å; N40-A43 HydrophobicContact CB-CB 3.97Å; N40-A43 WeakPolarHBondContact O-CB 3.48Å; N40-A43 PolarHBondContact O-N 2.96Å; N40-A43 PolarHBondContact OD1-N 3.34Å; N40-A43 VanDerWaalsContact OD1-N 3.11Å; N40-I241 HydrophobicContact CB-CD1 3.52Å; N40-K278 PolarHBondContact O-NZ 3.41Å
41A88.5Confident89.5Confident19 Ų1944.1 Ų44.116%0.15722%0.218CC..THydrogen-bonded Turntrans-62.1-36.3177.300000112.3V39 A43 T255 E271 K278V39-A41 PolarHBondContact O-N 3Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 3.27Å; A41-T255 HydrophobicContact CB-CG2 3.75Å; A41-E271 VanDerWaalsContact CA-OE1 3.31Å; A41-E271 WeakPolarHBondContact CA-OE1 3.23Å; A41-K278 PolarHBondContact O-NZ 3.17Å
42V88.4Confident89.7Confident114 Ų11445.8 Ų45.869%0.69123%0.229SC*.THydrogen-bonded Turntrans-77-13.7-176.7-171.90000112.8N40 I44N40-V42 VanDerWaalsContact C-N 3.28Å; N40-V42 PolarHBondContact O-N 3.45Å; N40-V42 PolarHBondContact OD1-N 3.33Å; V42-I44 PolarHBondContact O-N 3.46Å
43A88.5Confident89.8Confident10 Ų1045.7 Ų45.78%0.08323%0.228CC..  trans-56.5126.4-17600000113N40 A41 D245 K278N40-A43 HydrophobicContact CB-CB 3.97Å; N40-A43 WeakPolarHBondContact O-CB 3.48Å; N40-A43 PolarHBondContact O-N 2.96Å; N40-A43 PolarHBondContact OD1-N 3.34Å; N40-A43 VanDerWaalsContact OD1-N 3.11Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 3.27Å; A43-D245 WeakPolarHBondContact CA-OD2 3.17Å; A43-K278 PolarHBondContact O-NZ 3.3Å
44I85.3Confident89.8Confident148 Ų14848.4 Ų48.476%0.75925%0.251SS*.SBendtrans-79.7-40.4172.8-57.8172.8000109.5V42 D245V42-I44 PolarHBondContact O-N 3.46Å; I44-D245 PolarHBondContact N-OD1 3.47Å; I44-D245 PolarHBondContact N-OD2 3.47Å
45R87Confident89.8Confident127 Ų12750.6 Ų50.648%0.47927%0.268SS..  trans-91.4111.7-179.5-61.1-179.4176.7173.3-5.8110.1H47 D245R45-H47 VanDerWaalsContact C-N 3.35Å; R45-H47 PolarHBondContact O-CD2 3.47Å; R45-H47 PolarHBondContact O-N 3.42Å; R45-H47 PolarHBondContact O-NE2 3.33Å; R45-D245 WeakPolarHBondContact CA-OD1 3.04Å; R45-D245 VanDerWaalsContact CB-OD1 3.29Å; R45-D245 WeakPolarHBondContact CB-OD1 3.34Å; R45-D245 PolarHBondContact N-OD1 3.49Å; R45-D245 PolarHBondContact NH1-O 2.98Å
46C85.8Confident89.9Confident23 Ų2349.5 Ų49.516%0.15526%0.264CS..  trans-80.4-7.6-177.4-64.80000115.1R48 K278 G279C46-R48 HydrophobicContact CB-CG 4.05Å; C46-R48 PolarHBondContact O-N 3.07Å; C46-K278 HydrophobicContact CB-CG 3.97Å; C46-K278 CarbonylContact O-C 3.51Å; C46-K278 WeakPolarHBondContact O-CA 3.28Å; C46-G279 PolarHBondContact O-N 3.46Å
47H91.2Very high90Very high6 Ų651.1 Ų51.13%0.02827%0.274CS..  trans46.954.4179.7-59.4-49.1000115.7R45 T52 L53 I56 M244 G279 F280 G281R45-H47 VanDerWaalsContact C-N 3.35Å; R45-H47 PolarHBondContact O-CD2 3.47Å; R45-H47 PolarHBondContact O-N 3.42Å; R45-H47 PolarHBondContact O-NE2 3.33Å; H47-T52 WeakPolarHBondContact CA-OG1 3.44Å; H47-T52 PolarHBondContact ND1-OG1 3.03Å; H47-L53 HydrophobicContact CB-CD2 3.65Å; H47-L53 HydrophobicContact CB-CG 4.1Å; H47-I56 WeakPolarHBondContact CE1-CD1 3.48Å; H47-I56 WeakPolarHBondContact NE2-CD1 3.45Å; H47-M244 PolarHBondContact NE2-O 3.01Å; H47-G279 CarbonylContact O-C 3.57Å; H47-F280 PolarHBondContact O-N 2.82Å; H47-G281 WeakPolarHBondContact O-CA 3.34Å; H47-G281 PolarHBondContact O-N 2.76Å
48R88.4Confident90Very high128 Ų12857.8 Ų57.848%0.48330%0.3SS..  trans-80.4-24.3-177.5-64.6177.8-64.5161.45.5113.2C46 G281C46-R48 HydrophobicContact CB-CG 4.05Å; C46-R48 PolarHBondContact O-N 3.07Å; R48-G281 WeakPolarHBondContact O-CA 3.41Å; R48-G281 PolarHBondContact O-N 2.84Å
49T90.8Very high90Very high70 Ų7060.3 Ų60.343%0.42931%0.313SS..SBendtrans-109.9145.417853.30000109.8F51 T52T49-F51 PolarHBondContact O-N 3.47Å; T49-T52 PolarHBondContact O-N 2.94Å; T49-T52 PolarHBondContact O-OG1 2.93Å; T49-T52 VanDerWaalsContact OG1-CG2 3.24Å; T49-T52 WeakPolarHBondContact OG1-CG2 3.39Å
50P89.5Confident90.1Very high26 Ų2660.3 Ų60.317%0.16931%0.313CS..G310 helixtrans-59.6-33.3-178.424.6-35000112.9T52 L53 V284 L285P50-T52 VanDerWaalsContact C-N 3.31Å; P50-T52 PolarHBondContact O-N 3.21Å; P50-L53 WeakPolarHBondContact O-CB 3.3Å; P50-L53 PolarHBondContact O-N 3.24Å; P50-V284 HydrophobicContact CG-CG1 4.31Å; P50-L285 HydrophobicContact CB-CB 3.92Å; P50-L285 HydrophobicContact CB-CD1 4.19Å
51F91.9Very high90.1Very high172 Ų17264.9 Ų64.975%0.75434%0.335SS*.G310 helixtrans-65.6-29.1-176.6-54.1-70000114.1T49 L53 A54T49-F51 PolarHBondContact O-N 3.47Å; F51-L53 PolarHBondContact O-N 3.46Å; F51-A54 PolarHBondContact O-N 2.89Å
52T92.2Very high90.2Very high57 Ų5769.3 Ų69.335%0.3536%0.355SS..G310 helixtrans-71.6-16.9-179.357.50000112.5H47 T49 P50 P55H47-T52 WeakPolarHBondContact CA-OG1 3.44Å; H47-T52 PolarHBondContact ND1-OG1 3.03Å; T49-T52 PolarHBondContact O-N 2.94Å; T49-T52 PolarHBondContact O-OG1 2.93Å; T49-T52 VanDerWaalsContact OG1-CG2 3.24Å; T49-T52 WeakPolarHBondContact OG1-CG2 3.39Å; P50-T52 VanDerWaalsContact C-N 3.31Å; P50-T52 PolarHBondContact O-N 3.21Å; T52-P55 WeakPolarHBondContact O-CD 3.37Å
53L91.9Very high90.2Very high1 Ų168.3 Ų68.31%0.00535%0.346CS..G310 helixtrans-79.2-27.1177.8-68.6166.8000112.7H47 P50 F51 I56 V57 M244 A282H47-L53 HydrophobicContact CB-CD2 3.65Å; H47-L53 HydrophobicContact CB-CG 4.1Å; P50-L53 WeakPolarHBondContact O-CB 3.3Å; P50-L53 PolarHBondContact O-N 3.24Å; F51-L53 PolarHBondContact O-N 3.46Å; L53-I56 PolarHBondContact O-N 3.48Å; L53-I56 VanDerWaalsContact O-N 3.08Å; L53-V57 HydrophobicContact CB-CG2 4.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.02Å; L53-M244 HydrophobicContact CD2-CE 4.11Å; L53-A282 HydrophobicContact CD1-CB 3.64Å
54A91.6Very high90.1Very high63 Ų6371 Ų7152%0.52136%0.357SS..Hα-helixtrans-51.3-51.2-17700000114.1F51 I56 V57 Y58F51-A54 PolarHBondContact O-N 2.89Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 3.35Å; A54-V57 PolarHBondContact O-N 3.38Å; A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.13Å
55P91.4Very high90.2Very high66 Ų6665.4 Ų65.443%0.42934%0.335SS..Hα-helixtrans-64.4-31.7179.424.6-35.2000113.1T52 N59T52-P55 WeakPolarHBondContact O-CD 3.37Å; P55-N59 VanDerWaalsContact O-CG 3.26Å; P55-N59 PolarHBondContact O-N 3.45Å
56I91.9Very high90.2Very high0 Ų063.4 Ų63.40%034%0.337CS..Hα-helixtrans-78.8-40.3-178.9-70143.1000111.3H47 L53 A54 Y58 N59 L60 M244H47-I56 WeakPolarHBondContact CE1-CD1 3.48Å; H47-I56 WeakPolarHBondContact NE2-CD1 3.45Å; L53-I56 PolarHBondContact O-N 3.48Å; L53-I56 VanDerWaalsContact O-N 3.08Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 3.35Å; I56-Y58 VanDerWaalsContact C-N 3.25Å; I56-Y58 PolarHBondContact O-N 3.32Å; I56-N59 PolarHBondContact O-N 3Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 VanDerWaalsContact O-CG 3.24Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.36Å; I56-M244 WeakPolarHBondContact CD1-O 3.28Å; I56-M244 HydrophobicContact CG2-CE 3.64Å; I56-M244 HydrophobicContact CG2-SD 4.2Å
57V91.7Very high90.2Very high35 Ų3568.9 Ų68.921%0.21236%0.36CS..Hα-helixtrans-60.1-41.5173.4173.10000110.1L33 L53 A54 L60 Q61 L69L33-V57 HydrophobicContact CD1-CG2 3.68Å; L33-V57 HydrophobicContact CD2-CG2 3.95Å; L33-V57 HydrophobicContact CG-CG2 4.5Å; L53-V57 HydrophobicContact CB-CG2 4.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.02Å; A54-V57 PolarHBondContact O-N 3.38Å; V57-L60 PolarHBondContact O-N 3.06Å; V57-Q61 WeakPolarHBondContact O-CB 3.37Å; V57-Q61 PolarHBondContact O-N 3.42Å; V57-L69 HydrophobicContact CG1-CD1 4.3Å
58Y92.6Very high89.8Confident144 Ų14468.8 Ų68.857%0.56536%0.36SS*.Hα-helixtrans-59.7-50.3173.8-179.4-102.4000112.1A54 I56 L60 Q61 L62A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.13Å; I56-Y58 VanDerWaalsContact C-N 3.25Å; I56-Y58 PolarHBondContact O-N 3.32Å; Y58-L60 PolarHBondContact O-N 2.97Å; Y58-Q61 PolarHBondContact O-N 3.1Å; Y58-L62 HydrophobicContact CD1-CD1 3.94Å; Y58-L62 HydrophobicContact CE1-CD1 3.37Å; Y58-L62 HydrophobicContact CE1-CG 4.25Å; Y58-L62 HydrophobicContact CE2-CD1 4.43Å; Y58-L62 WeakPolarHBondContact O-CG 3.43Å; Y58-L62 PolarHBondContact O-N 2.87Å
59N92.1Very high89.8Confident53 Ų5363.8 Ų63.828%0.28334%0.342SS..Hα-helixtrans-63.4-40178.1-71.3-10.7000112.7P55 I56 L62 N63 N246 G247P55-N59 VanDerWaalsContact O-CG 3.26Å; P55-N59 PolarHBondContact O-N 3.45Å; I56-N59 PolarHBondContact O-N 3Å; N59-L62 PolarHBondContact O-N 3.43Å; N59-N63 PolarHBondContact O-N 3.29Å; N59-N63 PolarHBondContact O-ND2 2.88Å; N59-N246 WeakPolarHBondContact CB-O 2.81Å; N59-N246 PolarHBondContact ND2-O 2.98Å; N59-G247 CarbonylContact C-O 3.56Å
60L90.3Very high89.6Confident3 Ų363.6 Ų63.62%0.01633%0.334CS..Hα-helixtrans-62.9-43.6175.9-75.6171.1000111.3L33 I56 V57 Y58 L62 N63 Q64 D242 M244L33-L60 HydrophobicContact CD2-CD1 4.13Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 VanDerWaalsContact O-CG 3.24Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.36Å; V57-L60 PolarHBondContact O-N 3.06Å; Y58-L60 PolarHBondContact O-N 2.97Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 3.36Å; L60-N63 PolarHBondContact O-N 2.95Å; L60-Q64 PolarHBondContact O-N 3.07Å; L60-D242 HydrophobicContact CD2-CB 4.07Å; L60-M244 HydrophobicContact CD1-CE 4.39Å; L60-M244 HydrophobicContact CD1-SD 4.07Å
61Q91.6Very high89.2Confident98 Ų9863.6 Ų63.646%0.45833%0.331SS..Hα-helixtrans-62.1-40.6176.5177.2175.5-23.400111.7V57 Y58 G65 V66V57-Q61 WeakPolarHBondContact O-CB 3.37Å; V57-Q61 PolarHBondContact O-N 3.42Å; Y58-Q61 PolarHBondContact O-N 3.1Å; Q61-G65 WeakPolarHBondContact O-CA 3.47Å; Q61-G65 PolarHBondContact O-N 3.42Å; Q61-V66 HydrophobicContact CG-CG1 3.77Å
62L90.9Very high88.7Confident112 Ų11256.1 Ų56.159%0.58630%0.303SS*.Hα-helixtrans-66-39.5177-72.4178.8000112.7Y58 N59 L60Y58-L62 HydrophobicContact CD1-CD1 3.94Å; Y58-L62 HydrophobicContact CE1-CD1 3.37Å; Y58-L62 HydrophobicContact CE1-CG 4.25Å; Y58-L62 HydrophobicContact CE2-CD1 4.43Å; Y58-L62 WeakPolarHBondContact O-CG 3.43Å; Y58-L62 PolarHBondContact O-N 2.87Å; N59-L62 PolarHBondContact O-N 3.43Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 3.36Å
63N87.9Confident88.2Confident92 Ų9255.2 Ų55.249%0.49230%0.297SS..Hα-helixtrans-86.5-31.8-173.9-66.4-43.2000114.1N59 L60 G247 T248N59-N63 PolarHBondContact O-N 3.29Å; N59-N63 PolarHBondContact O-ND2 2.88Å; L60-N63 PolarHBondContact O-N 2.95Å; N63-G247 PolarHBondContact ND2-O 3.49Å; N63-T248 WeakPolarHBondContact ND2-CA 3.38Å; N63-T248 WeakPolarHBondContact ND2-CG2 2.93Å
64Q85.9Confident87.6Confident68 Ų6857.8 Ų57.832%0.31832%0.315SS..Hα-helixtrans-125.7-6-172.4-58.7-174.410.300113.9L60 C68 D242L60-Q64 PolarHBondContact O-N 3.07Å; Q64-C68 HydrophobicContact CB-CB 3.71Å; Q64-D242 PolarHBondContact NE2-OD1 3.05Å; Q64-D242 PolarHBondContact OE1-OD1 3.31Å
65G87.6Confident87Confident30 Ų3055 Ų5531%0.30929%0.292SS..  trans75.3169.5-172.500000113.5Q61 H67 C68Q61-G65 WeakPolarHBondContact O-CA 3.47Å; Q61-G65 PolarHBondContact O-N 3.42Å; G65-H67 PolarHBondContact O-N 2.8Å; G65-C68 WeakPolarHBondContact O-CB 3.3Å; G65-C68 PolarHBondContact O-N 2.85Å
66V86.6Confident86.4Confident84 Ų8452.2 Ų52.251%0.50927%0.274SS..G310 helixtrans-63.9-24.8-177.6-64.50000113.9Q61 C68 L69Q61-V66 HydrophobicContact CG-CG1 3.77Å; V66-C68 PolarHBondContact O-N 3.37Å; V66-C68 VanDerWaalsContact O-N 3.11Å; V66-L69 PolarHBondContact O-N 3.39Å
67H85.3Confident85.9Confident138 Ų13856.2 Ų56.264%0.63929%0.294SS*.G310 helixtrans-60.9-20.8177.6-178.7-87.4000112.2G65 L69 W70 K71G65-H67 PolarHBondContact O-N 2.8Å; H67-L69 PolarHBondContact O-N 3.28Å; H67-W70 PolarHBondContact O-N 2.89Å; H67-W70 VanDerWaalsContact O-N 3.1Å; H67-K71 PolarHBondContact O-N 2.92Å
68C84Confident85.3Confident4 Ų457.1 Ų57.13%0.02730%0.3CS..G310 helixtrans-61.1-28.7178.8101.50000113Q64 G65 V66 W70 K71Q64-C68 HydrophobicContact CB-CB 3.71Å; G65-C68 WeakPolarHBondContact O-CB 3.3Å; G65-C68 PolarHBondContact O-N 2.85Å; V66-C68 PolarHBondContact O-N 3.37Å; V66-C68 VanDerWaalsContact O-N 3.11Å; C68-W70 VanDerWaalsContact C-N 3.33Å; C68-K71 VanDerWaalsContact O-CD 3.26Å; C68-K71 WeakPolarHBondContact O-CD 3.43Å; C68-K71 WeakPolarHBondContact O-CG 3.1Å
69L87.2Confident84.6Confident23 Ų2350.3 Ų50.312%0.1227%0.273CS..G310 helixtrans-78.6-19.9179.9-64.2176.7000112.8P29 V32 L33 V57 V66 H67P29-L69 WeakPolarHBondContact CA-O 3.24Å; P29-L69 HydrophobicContact CB-CB 3.97Å; P29-L69 HydrophobicContact CB-CD1 4.43Å; P29-L69 HydrophobicContact CG-CB 4.26Å; V32-L69 WeakPolarHBondContact CG2-O 3.26Å; L33-L69 HydrophobicContact CD1-CD2 4.06Å; L33-L69 HydrophobicContact CD2-CD2 3.78Å; L33-L69 HydrophobicContact CG-CD2 3.83Å; V57-L69 HydrophobicContact CG1-CD1 4.3Å; V66-L69 PolarHBondContact O-N 3.39Å; H67-L69 PolarHBondContact O-N 3.28Å
70W86.9Confident83.9Confident67 Ų6750 Ų5025%0.25427%0.268SS..G310 helixtrans-102.319.6175.5-83.5-95.5000112.8F25 L28 P29 H67 C68 G72 V73F25-W70 HydrophobicContact CD1-CZ2 4.33Å; F25-W70 AromaticContact CD1-NE1 3.79Å; F25-W70 AromaticContact CD2-CD1 3.69Å; F25-W70 AromaticContact CD2-NE1 3.43Å; F25-W70 AromaticContact CE1-CE2 3.88Å; F25-W70 AromaticContact CE1-CZ2 3.84Å; F25-W70 HydrophobicContact CE1-CZ2 3.84Å; F25-W70 AromaticContact CE1-NE1 3.65Å; F25-W70 AromaticContact CE2-CD1 3.41Å; F25-W70 VanDerWaalsContact CE2-CD1 3.41Å; F25-W70 HydrophobicContact CE2-CG 4.3Å; F25-W70 AromaticContact CE2-NE1 3.28Å; F25-W70 VanDerWaalsContact CE2-NE1 3.28Å; F25-W70 AromaticContact CG-NE1 3.68Å; F25-W70 AromaticContact CZ-CD1 3.89Å; F25-W70 HydrophobicContact CZ-CD2 4.44Å; F25-W70 AromaticContact CZ-CE2 3.73Å; F25-W70 HydrophobicContact CZ-CZ2 4.1Å; F25-W70 AromaticContact CZ-NE1 3.39Å; F25-W70 PolarHBondContact O-NE1 3.47Å; L28-W70 HydrophobicContact CD2-CB 4.22Å; L28-W70 HydrophobicContact CD2-CG 4.15Å; P29-W70 HydrophobicContact CG-CD2 3.9Å; P29-W70 HydrophobicContact CG-CE3 3.92Å; P29-W70 HydrophobicContact CG-CH2 3.37Å; P29-W70 HydrophobicContact CG-CZ2 3.33Å; P29-W70 HydrophobicContact CG-CZ3 3.66Å; H67-W70 PolarHBondContact O-N 2.89Å; H67-W70 VanDerWaalsContact O-N 3.1Å; C68-W70 VanDerWaalsContact C-N 3.33Å; W70-G72 PolarHBondContact O-N 2.85Å; W70-V73 WeakPolarHBondContact O-CB 3.17Å; W70-V73 PolarHBondContact O-N 3.22Å; W70-V73 VanDerWaalsContact O-N 3.1Å
71K82.4Confident83.4Confident25 Ų2551.9 Ų51.911%0.10929%0.288CS..THydrogen-bonded Turntrans-53.2132.8170.6-76172.7-170.9178.90110H67 C68 V73 D242H67-K71 PolarHBondContact O-N 2.92Å; C68-K71 VanDerWaalsContact O-CD 3.26Å; C68-K71 WeakPolarHBondContact O-CD 3.43Å; C68-K71 WeakPolarHBondContact O-CG 3.1Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 2.99Å; K71-D242 IonicContact NZ-OD1 2.63Å; K71-D242 PolarHBondContact NZ-OD1 3.12Å; K71-D242 IonicContact NZ-OD2 3.57Å; K71-D242 PolarHBondContact NZ-OD2 2.97Å
72G79.6Confident82.8Confident15 Ų1549.8 Ų49.816%0.15528%0.279CS..THydrogen-bonded Turntrans77.19.4-179.400000115.4W70 S74 S75 S76W70-G72 PolarHBondContact O-N 2.85Å; G72-S74 VanDerWaalsContact C-N 3.27Å; G72-S74 PolarHBondContact O-N 3.34Å; G72-S75 PolarHBondContact O-N 2.78Å; G72-S76 VanDerWaalsContact O-CB 3.28Å; G72-S76 WeakPolarHBondContact O-CB 3.18Å; G72-S76 PolarHBondContact O-N 3.24Å
73V82.6Confident82.1Confident39 Ų3946 Ų4624%0.23626%0.26CS..Hα-helixtrans-54.9-42.2179.469.60000112.6F25 L28 W70 K71 S76 I77F25-V73 HydrophobicContact CD2-CG2 4.28Å; L28-V73 HydrophobicContact CD2-CB 3.46Å; L28-V73 VanDerWaalsContact CD2-CB 3.46Å; L28-V73 HydrophobicContact CD2-CG2 3.74Å; W70-V73 WeakPolarHBondContact O-CB 3.17Å; W70-V73 PolarHBondContact O-N 3.22Å; W70-V73 VanDerWaalsContact O-N 3.1Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 2.99Å; V73-S76 WeakPolarHBondContact O-CB 3.45Å; V73-S76 PolarHBondContact O-N 3.39Å; V73-I77 HydrophobicContact CG2-CD1 4.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.33Å; V73-I77 PolarHBondContact O-N 2.77Å
74S80.3Confident81.6Confident54 Ų5446 Ų4638%0.37826%0.259SS..Hα-helixtrans-66.8-48-17954.40000112G72 S76 I77 V78G72-S74 VanDerWaalsContact C-N 3.27Å; G72-S74 PolarHBondContact O-N 3.34Å; S74-S76 PolarHBondContact O-N 3.04Å; S74-I77 PolarHBondContact O-N 3.44Å; S74-V78 WeakPolarHBondContact O-CG2 3.3Å; S74-V78 PolarHBondContact O-N 3.16Å
75S78.4Confident81.4Confident6 Ų647.6 Ų47.64%0.04227%0.269CS..Hα-helixtrans-59.3-39.6172.6176.20000110.9G72 I77 V78 T79 S130G72-S75 PolarHBondContact O-N 2.78Å; S75-I77 VanDerWaalsContact C-N 3.33Å; S75-I77 PolarHBondContact O-N 3.28Å; S75-V78 PolarHBondContact O-N 3.04Å; S75-T79 WeakPolarHBondContact O-CB 3.36Å; S75-T79 WeakPolarHBondContact O-CG2 3.25Å; S75-T79 PolarHBondContact O-N 3.32Å; S75-T79 PolarHBondContact O-OG1 3.41Å; S75-T79 VanDerWaalsContact O-OG1 3.04Å; S75-S130 WeakPolarHBondContact CB-OG 3.39Å; S75-S130 VanDerWaalsContact OG-CB 3.31Å; S75-S130 WeakPolarHBondContact OG-CB 2.91Å; S75-S130 PolarHBondContact OG-OG 2.94Å
76S78.3Confident80.9Confident6 Ų649.2 Ų49.24%0.04227%0.27CS..Hα-helixtrans-65.5-32.4178.7-162.40000114.2G72 V73 S74 T79 R80 L127G72-S76 VanDerWaalsContact O-CB 3.28Å; G72-S76 WeakPolarHBondContact O-CB 3.18Å; G72-S76 PolarHBondContact O-N 3.24Å; V73-S76 WeakPolarHBondContact O-CB 3.45Å; V73-S76 PolarHBondContact O-N 3.39Å; S74-S76 PolarHBondContact O-N 3.04Å; S76-T79 PolarHBondContact O-OG1 3.33Å; S76-R80 WeakPolarHBondContact O-CB 3.34Å; S76-R80 VanDerWaalsContact O-CG 3.22Å; S76-R80 WeakPolarHBondContact O-CG 3.46Å; S76-R80 PolarHBondContact O-N 3.31Å; S76-R80 PolarHBondContact OG-NH1 3.34Å; S76-L127 VanDerWaalsContact CA-CD2 3.49Å
77I80.8Confident80.3Confident84 Ų8447.7 Ų47.743%0.43126%0.259SS..Hα-helixtrans-71.4-48.2171.8-67.9164.5000109.7L21 V73 S74 S75 R80 G81L21-I77 HydrophobicContact CD2-CG1 4.43Å; L21-I77 HydrophobicContact CD2-CG2 4.48Å; V73-I77 HydrophobicContact CG2-CD1 4.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.33Å; V73-I77 PolarHBondContact O-N 2.77Å; S74-I77 PolarHBondContact O-N 3.44Å; S75-I77 VanDerWaalsContact C-N 3.33Å; S75-I77 PolarHBondContact O-N 3.28Å; I77-R80 PolarHBondContact O-N 3.21Å; I77-G81 PolarHBondContact O-N 3.24Å
78V80.9Confident79.9Confident55 Ų5543.6 Ų43.633%0.33324%0.244SC..Hα-helixtrans-61-48.6-178.6170.30000111.5S74 S75 R80 G81 L82 I140S74-V78 WeakPolarHBondContact O-CG2 3.3Å; S74-V78 PolarHBondContact O-N 3.16Å; S75-V78 PolarHBondContact O-N 3.04Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.32Å; V78-G81 PolarHBondContact O-N 3.23Å; V78-L82 HydrophobicContact CG1-CD1 4.04Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.44Å; V78-I140 HydrophobicContact CB-CG2 4.45Å; V78-I140 HydrophobicContact CG1-CG2 4.5Å; V78-I140 HydrophobicContact CG2-CG2 3.96Å
79T77.9Confident79.8Confident0 Ų046.5 Ų46.50%026%0.262CS..Hα-helixtrans-65.8-35.1-179.760.10000111.8S75 S76 L82 D83 M126 L127S75-T79 WeakPolarHBondContact O-CB 3.36Å; S75-T79 WeakPolarHBondContact O-CG2 3.25Å; S75-T79 PolarHBondContact O-N 3.32Å; S75-T79 PolarHBondContact O-OG1 3.41Å; S75-T79 VanDerWaalsContact O-OG1 3.04Å; S76-T79 PolarHBondContact O-OG1 3.33Å; T79-L82 PolarHBondContact O-N 2.85Å; T79-D83 WeakPolarHBondContact O-CB 3.36Å; T79-D83 PolarHBondContact O-N 3.44Å; T79-M126 HydrophobicContact CG2-CB 4.18Å; T79-M126 HydrophobicContact CG2-CE 4.43Å; T79-L127 HydrophobicContact CG2-CD1 4.44Å; T79-L127 HydrophobicContact CG2-CD2 3.9Å; T79-L127 HydrophobicContact CG2-CG 3.59Å; T79-L127 WeakPolarHBondContact OG1-CD1 3Å; T79-L127 WeakPolarHBondContact OG1-CD2 3.15Å; T79-L127 WeakPolarHBondContact OG1-CG 3.23Å
80R76.5Confident79.3Confident48 Ų4847.1 Ų47.118%0.18127%0.265CS..Hα-helixtrans-70.3-37.4173.8-77.7-171.1-174.8108.6-8.2112.4M1 N24 S76 I77 V78 L82 D83 I84M1-R80 PolarHBondContact SD-NH2 3.41Å; N24-R80 VanDerWaalsContact CB-NH1 3.27Å; N24-R80 VanDerWaalsContact CG-CD 3.47Å; N24-R80 WeakPolarHBondContact ND2-CD 3.36Å; N24-R80 PolarHBondContact ND2-NE 3.12Å; N24-R80 PolarHBondContact OD1-NE 2.94Å; N24-R80 PolarHBondContact OD1-NH1 3.41Å; N24-R80 PolarHBondContact OD1-NH2 2.91Å; S76-R80 WeakPolarHBondContact O-CB 3.34Å; S76-R80 VanDerWaalsContact O-CG 3.22Å; S76-R80 WeakPolarHBondContact O-CG 3.46Å; S76-R80 PolarHBondContact O-N 3.31Å; S76-R80 PolarHBondContact OG-NH1 3.34Å; I77-R80 PolarHBondContact O-N 3.21Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.32Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-D83 PolarHBondContact O-N 3.34Å; R80-I84 WeakPolarHBondContact O-CD1 3.28Å; R80-I84 VanDerWaalsContact O-CG1 3.24Å; R80-I84 WeakPolarHBondContact O-CG1 3.41Å; R80-I84 PolarHBondContact O-N 3.2Å
81G79.1Confident78.8Confident41 Ų4144 Ų4442%0.42325%0.253SS..Hα-helixtrans-60-44.8171.200000111.2I77 V78 I84 L85I77-G81 PolarHBondContact O-N 3.24Å; V78-G81 PolarHBondContact O-N 3.23Å; G81-I84 PolarHBondContact O-N 3.21Å; G81-L85 VanDerWaalsContact O-CB 3.32Å; G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 2.84Å
82L80.4Confident78.8Confident54 Ų5447.1 Ų47.128%0.28327%0.271SS..Hα-helixtrans-65.2-42.1174.6-70.8173.8000112.4V78 T79 R80 I84 L85 L86 L123 M126V78-L82 HydrophobicContact CG1-CD1 4.04Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.44Å; T79-L82 PolarHBondContact O-N 2.85Å; R80-L82 VanDerWaalsContact C-N 3.32Å; L82-I84 PolarHBondContact O-N 3.48Å; L82-L85 PolarHBondContact O-N 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 WeakPolarHBondContact O-CD1 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 2.94Å; L82-L123 HydrophobicContact CB-CD2 3.65Å; L82-L123 HydrophobicContact CD1-CD2 3.76Å; L82-L123 HydrophobicContact CG-CD2 4.37Å; L82-M126 HydrophobicContact CD1-CE 4.36Å
83D76.3Confident79Confident33 Ų3352.6 Ų52.618%0.17630%0.296CS..Hα-helixtrans-58.1-48.8175.2-76.4-40.6000109.9T79 R80 L85 L86 D87 L123T79-D83 WeakPolarHBondContact O-CB 3.36Å; T79-D83 PolarHBondContact O-N 3.44Å; R80-D83 PolarHBondContact O-N 3.34Å; D83-L85 PolarHBondContact O-N 3.01Å; D83-L86 PolarHBondContact O-N 2.86Å; D83-D87 VanDerWaalsContact O-CB 3.31Å; D83-D87 WeakPolarHBondContact O-CB 3.39Å; D83-D87 VanDerWaalsContact O-CG 3.26Å; D83-D87 PolarHBondContact O-N 3.21Å; D83-L123 WeakPolarHBondContact OD1-CD1 3.29Å
84I77.4Confident78.9Confident93 Ų9354.9 Ų54.948%0.47731%0.307SS..Hα-helixtrans-63.6-42.5178.2-67.6164.6000111.2R80 G81 L82 D87 T88R80-I84 WeakPolarHBondContact O-CD1 3.28Å; R80-I84 VanDerWaalsContact O-CG1 3.24Å; R80-I84 WeakPolarHBondContact O-CG1 3.41Å; R80-I84 PolarHBondContact O-N 3.2Å; G81-I84 PolarHBondContact O-N 3.21Å; L82-I84 PolarHBondContact O-N 3.48Å; I84-D87 PolarHBondContact O-N 2.91Å; I84-T88 WeakPolarHBondContact O-CB 3.46Å; I84-T88 PolarHBondContact O-N 3.4Å; I84-T88 PolarHBondContact O-OG1 2.68Å
85L80.5Confident78.6Confident100 Ų10055.7 Ų55.752%0.52432%0.324SS..Hα-helixtrans-62.4-47.4178.7178.563.7000110.9G81 L82 D83 T88 V89G81-L85 VanDerWaalsContact O-CB 3.32Å; G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 2.84Å; L82-L85 PolarHBondContact O-N 3.28Å; D83-L85 PolarHBondContact O-N 3.01Å; L85-T88 WeakPolarHBondContact O-CB 3.32Å; L85-T88 PolarHBondContact O-N 3.42Å; L85-V89 HydrophobicContact CD1-CG2 4.34Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 3.15Å
86L78.7Confident78.1Confident64 Ų6456.9 Ų56.934%0.33533%0.329SS..Hα-helixtrans-65.6-42.6178.4-73.2165.7000111.2L82 D83 T88 V89 L90 L123L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 WeakPolarHBondContact O-CD1 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 2.94Å; D83-L86 PolarHBondContact O-N 2.86Å; L86-T88 PolarHBondContact O-N 2.98Å; L86-V89 PolarHBondContact O-N 3.12Å; L86-L90 HydrophobicContact CB-CD1 4.1Å; L86-L90 HydrophobicContact CD2-CD1 4.47Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 WeakPolarHBondContact O-CD1 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.77Å; L86-L123 HydrophobicContact CD1-CD1 3.41Å; L86-L123 VanDerWaalsContact CD1-CD1 3.41Å; L86-L123 HydrophobicContact CD1-CG 4.43Å
87D72.1Confident77.4Confident53 Ų5359.4 Ų59.428%0.28335%0.346SS..Hα-helixtrans-57.9-41174.2-78.1-7000111D83 I84 A91 F116D83-D87 VanDerWaalsContact O-CB 3.31Å; D83-D87 WeakPolarHBondContact O-CB 3.39Å; D83-D87 VanDerWaalsContact O-CG 3.26Å; D83-D87 PolarHBondContact O-N 3.21Å; I84-D87 PolarHBondContact O-N 2.91Å; D87-A91 WeakPolarHBondContact O-CB 3.33Å; D87-A91 PolarHBondContact O-N 3.3Å; D87-F116 HydrophobicContact CB-CD1 4.17Å; D87-F116 HydrophobicContact CB-CE1 4.13Å; D87-F116 VanDerWaalsContact O-CE1 3.3Å; D87-F116 WeakPolarHBondContact O-CE1 3.4Å; D87-F116 WeakPolarHBondContact OD1-CD1 3.47Å
88T77.6Confident76.4Confident52 Ų5262.5 Ų62.532%0.31935%0.352SS..Hα-helixtrans-66.3-53177.7-55.10000111.5I84 L85 L86 L90 A91 D92I84-T88 WeakPolarHBondContact O-CB 3.46Å; I84-T88 PolarHBondContact O-N 3.4Å; I84-T88 PolarHBondContact O-OG1 2.68Å; L85-T88 WeakPolarHBondContact O-CB 3.32Å; L85-T88 PolarHBondContact O-N 3.42Å; L86-T88 PolarHBondContact O-N 2.98Å; T88-L90 PolarHBondContact O-N 2.7Å; T88-A91 PolarHBondContact O-N 2.88Å; T88-D92 WeakPolarHBondContact O-CB 3.21Å; T88-D92 PolarHBondContact O-N 3.42Å
89V82.7Confident75.2Confident65 Ų6567.6 Ų67.639%0.39437%0.37SS..Hα-helixtrans-57.8-41.4179.9169.60000110.8L85 L86 D92 L93L85-V89 HydrophobicContact CD1-CG2 4.34Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 3.15Å; L86-V89 PolarHBondContact O-N 3.12Å; V89-D92 PolarHBondContact O-N 2.85Å; V89-L93 HydrophobicContact CG1-CD1 3.73Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 VanDerWaalsContact O-CG 3.23Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 2.86Å
90L76.9Confident74.1Confident35 Ų3570.3 Ų70.318%0.18338%0.384CS..Hα-helixtrans-81.4-28.1-175.9-69.5147.5000113.2L86 T88 D92 L93 L94 F116 R119L86-L90 HydrophobicContact CB-CD1 4.1Å; L86-L90 HydrophobicContact CD2-CD1 4.47Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 WeakPolarHBondContact O-CD1 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.77Å; T88-L90 PolarHBondContact O-N 2.7Å; L90-D92 VanDerWaalsContact C-N 3.29Å; L90-L93 HydrophobicContact CD2-CD1 4.43Å; L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 WeakPolarHBondContact O-CG 3.22Å; L90-L94 PolarHBondContact O-N 3Å; L90-F116 HydrophobicContact CB-CE1 4.03Å; L90-R119 VanDerWaalsContact CB-NH1 3.27Å; L90-R119 HydrophobicContact CD1-CG 3.7Å; L90-R119 VanDerWaalsContact CD2-NH2 3.31Å
91A75.6Confident73Confident2 Ų270 Ų702%0.01740%0.396CS..Hα-helixtrans-62.9-41.316700000110.6D87 T88 L94 G95 L96 R98 F116D87-A91 WeakPolarHBondContact O-CB 3.33Å; D87-A91 PolarHBondContact O-N 3.3Å; T88-A91 PolarHBondContact O-N 2.88Å; A91-L94 PolarHBondContact O-N 3.45Å; A91-G95 WeakPolarHBondContact O-CA 3.29Å; A91-G95 PolarHBondContact O-N 3.47Å; A91-L96 PolarHBondContact O-N 3.08Å; A91-R98 HydrophobicContact CB-CG 3.53Å; A91-F116 HydrophobicContact CB-CZ 3.98Å
92D83.5Confident71.7Confident91 Ų9171.1 Ų71.149%0.48740%0.395SS..Hα-helixtrans-71.7-43.3-177.8-67.4-4.1000112T88 V89 L90 L94 R98T88-D92 WeakPolarHBondContact O-CB 3.21Å; T88-D92 PolarHBondContact O-N 3.42Å; V89-D92 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact C-N 3.29Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 3.1Å; D92-R98 IonicContact OD1-CZ 2.71Å; D92-R98 IonicContact OD1-NE 3.71Å; D92-R98 PolarHBondContact OD1-NE 2.86Å; D92-R98 IonicContact OD1-NH2 3.18Å; D92-R98 PolarHBondContact OD1-NH2 3.05Å; D92-R98 IonicContact OD2-CZ 2.67Å; D92-R98 IonicContact OD2-NH2 3.91Å; D92-R98 PolarHBondContact OD2-NH2 3.25Å
93L83.4Confident70.2Confident130 Ų13075.9 Ų75.968%0.68142%0.42SS*.Hα-helixtrans-63.6-30.7176.4-75.4169.8000113.2V89 L90V89-L93 HydrophobicContact CG1-CD1 3.73Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 VanDerWaalsContact O-CG 3.23Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 2.86Å; L90-L93 HydrophobicContact CD2-CD1 4.43Å
94L79.5Confident69.2Low86 Ų8676.4 Ų76.445%0.4543%0.427SS..Hα-helixtrans-107.9-0.5-173.4-60.9173.8000113.7L90 A91 D92 L96 L115 R119L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 WeakPolarHBondContact O-CG 3.22Å; L90-L94 PolarHBondContact O-N 3Å; A91-L94 PolarHBondContact O-N 3.45Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 3.1Å; L94-L96 HydrophobicContact CB-CB 4.49Å; L94-L96 HydrophobicContact CB-CD1 3.69Å; L94-L96 HydrophobicContact CB-CG 3.83Å; L94-L96 HydrophobicContact CD1-CD1 3.8Å; L94-L96 HydrophobicContact CG-CD1 4.43Å; L94-L96 PolarHBondContact O-N 3.27Å; L94-L115 HydrophobicContact CD1-CD1 3.8Å; L94-R119 VanDerWaalsContact CD1-NH2 3.26Å
95G73.4Confident68.3Low72 Ų7278.9 Ų78.974%0.74243%0.43SS*.THydrogen-bonded Turntrans58.825.9-17500000113.7A91A91-G95 WeakPolarHBondContact O-CA 3.29Å; A91-G95 PolarHBondContact O-N 3.47Å
96L68.9Low67.6Low30 Ų3076.1 Ų76.116%0.15743%0.426CS..  trans-87.4148.3-174.9-73169.4000111.2A91 L94 R98 A112 L115A91-L96 PolarHBondContact O-N 3.08Å; L94-L96 HydrophobicContact CB-CB 4.49Å; L94-L96 HydrophobicContact CB-CD1 3.69Å; L94-L96 HydrophobicContact CB-CG 3.83Å; L94-L96 HydrophobicContact CD1-CD1 3.8Å; L94-L96 HydrophobicContact CG-CD1 4.43Å; L94-L96 PolarHBondContact O-N 3.27Å; L96-R98 PolarHBondContact O-N 2.85Å; L96-A112 HydrophobicContact CD1-CB 4.28Å; L96-A112 HydrophobicContact CD2-CB 4.41Å; L96-L115 HydrophobicContact CD1-CD1 3.84Å
97P64.6Low67.1Low59 Ų5981.8 Ų81.838%0.38345%0.448SS..  trans-62.3120.517924.9-33.5000111.2F99 L100P97-F99 VanDerWaalsContact C-N 3.27Å; P97-F99 PolarHBondContact O-N 3.28Å; P97-L100 HydrophobicContact CG-CD2 3.88Å
98R58Low66.9Low149 Ų14981.7 Ų81.756%0.56245%0.454SS*.SBendtrans-64.2-29.5178.3-67.2178.2-178.3176.9-1.2113.2A91 D92 L96A91-R98 HydrophobicContact CB-CG 3.53Å; D92-R98 IonicContact OD1-CZ 2.71Å; D92-R98 IonicContact OD1-NE 3.71Å; D92-R98 PolarHBondContact OD1-NE 2.86Å; D92-R98 IonicContact OD1-NH2 3.18Å; D92-R98 PolarHBondContact OD1-NH2 3.05Å; D92-R98 IonicContact OD2-CZ 2.67Å; D92-R98 IonicContact OD2-NH2 3.91Å; D92-R98 PolarHBondContact OD2-NH2 3.25Å; L96-R98 PolarHBondContact O-N 2.85Å
99F56.6Low66.4Low163 Ų16379.4 Ų79.472%0.71544%0.44SS*.SBendtrans-122.6108.6177.6-63.1-81.6000109.1P97 G101P97-F99 VanDerWaalsContact C-N 3.27Å; P97-F99 PolarHBondContact O-N 3.28Å; F99-G101 PolarHBondContact O-N 3.45Å; F99-G101 VanDerWaalsContact O-N 3.14Å
100L55.3Low65.8Low57 Ų5780.5 Ų80.530%0.29844%0.44SS..  trans-74.5101.3168.2-62.4177000107.3P97 A109 A112 T113 Y181P97-L100 HydrophobicContact CG-CD2 3.88Å; L100-A109 HydrophobicContact CD1-CB 4.17Å; L100-A109 HydrophobicContact CD2-CB 3.54Å; L100-A109 HydrophobicContact CG-CB 4.4Å; L100-A112 HydrophobicContact CD2-CB 4.47Å; L100-T113 WeakPolarHBondContact CD1-OG1 3.25Å; L100-Y181 HydrophobicContact CD1-CE2 4.22Å
101G52.4Low65.6Low42 Ų4283 Ų8343%0.43345%0.453SS..  trans-64.1157.5172.100000110.8F99 N103 S104F99-G101 PolarHBondContact O-N 3.45Å; F99-G101 VanDerWaalsContact O-N 3.14Å; G101-N103 PolarHBondContact O-N 3.05Å; G101-S104 WeakPolarHBondContact O-CB 3.29Å; G101-S104 PolarHBondContact O-N 3.43Å
102V52.9Low65.3Low64 Ų6483 Ų8339%0.38845%0.452SS..THydrogen-bonded Turntrans-52.4-25178.8170.70000113.1L188V102-L188 HydrophobicContact CB-CD2 4.43Å; V102-L188 HydrophobicContact CG1-CD2 3.51Å; V102-L188 HydrophobicContact CG1-CG 4.48Å; V102-L188 HydrophobicContact CG2-CD2 4.22Å
103N47.9Very low64.5Low153 Ų15379.3 Ų79.382%0.81843%0.433SS*.THydrogen-bonded Turntrans-93.5-1.9179.5-72.3-14.5000114.7G101 R105G101-N103 PolarHBondContact O-N 3.05Å; N103-R105 VanDerWaalsContact C-N 3.25Å; N103-R105 PolarHBondContact O-N 2.91Å
104S54.7Low64.1Low45 Ų4578.2 Ų78.232%0.31542%0.423SS..  trans-80.269.1-179.1-61.50000111.3G101 G106 A109 Y181G101-S104 WeakPolarHBondContact O-CB 3.29Å; G101-S104 PolarHBondContact O-N 3.43Å; S104-G106 PolarHBondContact O-N 3.44Å; S104-A109 WeakPolarHBondContact O-CB 3.27Å; S104-Y181 PolarHBondContact O-OH 3.47Å
105R59.2Low63.6Low144 Ų14476.9 Ų76.954%0.54342%0.416SS..  trans-81.76.1173.9-70.5-175.3172.3-167.5-9.9114.4N103 F189N103-R105 VanDerWaalsContact C-N 3.25Å; N103-R105 PolarHBondContact O-N 2.91Å; R105-F189 VanDerWaalsContact NH1-CD2 3.34Å
106G65.3Low63.4Low42 Ų4275.2 Ų75.243%0.43339%0.389SS..SBendtrans-74.6159.2-174.900000113.7S104 A108 A109 F110S104-G106 PolarHBondContact O-N 3.44Å; G106-A108 PolarHBondContact O-N 3.08Å; G106-A108 VanDerWaalsContact O-N 3.08Å; G106-A109 WeakPolarHBondContact O-CB 3.48Å; G106-A109 PolarHBondContact O-N 2.87Å; G106-F110 PolarHBondContact O-N 3.41Å
107K68.3Low63.3Low184 Ų18474.1 Ų74.180%0.838%0.384SS*.Hα-helixtrans-48.9-36.5173.9-65179.2-179.21780112.4A109 F110 I111K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 3.3Å; K107-F110 PolarHBondContact O-N 2.93Å; K107-I111 VanDerWaalsContact O-CG1 3.26Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 3.32Å
108A67.8Low63.2Low51 Ų5173 Ų7342%0.42138%0.383SS..Hα-helixtrans-59.4-37.7176.700000113.4G106 A112G106-A108 PolarHBondContact O-N 3.08Å; G106-A108 VanDerWaalsContact O-N 3.08Å; A108-A112 WeakPolarHBondContact O-CB 3.19Å; A108-A112 PolarHBondContact O-N 3.44Å
109A67.4Low63.3Low3 Ų368.6 Ų68.63%0.02537%0.366CS..Hα-helixtrans-70.6-37.8178.400000112.2L100 S104 G106 K107 T113 Y181L100-A109 HydrophobicContact CD1-CB 4.17Å; L100-A109 HydrophobicContact CD2-CB 3.54Å; L100-A109 HydrophobicContact CG-CB 4.4Å; S104-A109 WeakPolarHBondContact O-CB 3.27Å; G106-A109 WeakPolarHBondContact O-CB 3.48Å; G106-A109 PolarHBondContact O-N 2.87Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 3.3Å; A109-T113 WeakPolarHBondContact O-CB 3.49Å; A109-T113 PolarHBondContact O-N 3.36Å; A109-T113 PolarHBondContact O-OG1 3.23Å; A109-Y181 WeakPolarHBondContact CB-OH 3.32Å
110F69.9Low63.7Low89 Ų8961.6 Ų61.639%0.3934%0.337SS..Hα-helixtrans-67.3-45.3174.3-174.6-94.5000111.4G106 K107 T113 F114 L178 L182G106-F110 PolarHBondContact O-N 3.41Å; K107-F110 PolarHBondContact O-N 2.93Å; F110-T113 PolarHBondContact O-N 3.12Å; F110-F114 WeakPolarHBondContact O-CB 3.13Å; F110-F114 PolarHBondContact O-N 2.83Å; F110-L178 HydrophobicContact CD2-CD2 4.48Å; F110-L178 HydrophobicContact CE2-CD2 3.99Å; F110-L178 HydrophobicContact CZ-CD2 4.18Å; F110-L182 HydrophobicContact CE2-CD2 4.44Å
111I72.3Confident64.3Low88 Ų8859.1 Ų59.145%0.45133%0.325SS..Hα-helixtrans-62-45.8176.2-67.2164.8000110.5K107 T113 F114 L115K107-I111 VanDerWaalsContact O-CG1 3.26Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 3.32Å; I111-T113 PolarHBondContact O-N 2.73Å; I111-F114 PolarHBondContact O-N 3.26Å; I111-L115 HydrophobicContact CG2-CD1 3.69Å; I111-L115 HydrophobicContact CG2-CG 4.33Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.25Å; I111-L115 WeakPolarHBondContact O-CG 3.17Å; I111-L115 PolarHBondContact O-N 3.41Å
112A69.4Low64.9Low0 Ų058.7 Ų58.70%031%0.314CS..Hα-helixtrans-56.3-51.7173.300000110.7L96 L100 A108 F114 L115 F116L96-A112 HydrophobicContact CD1-CB 4.28Å; L96-A112 HydrophobicContact CD2-CB 4.41Å; L100-A112 HydrophobicContact CD2-CB 4.47Å; A108-A112 WeakPolarHBondContact O-CB 3.19Å; A108-A112 PolarHBondContact O-N 3.44Å; A112-F114 VanDerWaalsContact C-N 3.32Å; A112-F114 PolarHBondContact O-N 2.97Å; A112-L115 PolarHBondContact O-N 3.12Å; A112-F116 VanDerWaalsContact C-CD2 3.48Å; A112-F116 HydrophobicContact CB-CD2 3.98Å; A112-F116 HydrophobicContact CB-CE2 3.87Å; A112-F116 WeakPolarHBondContact O-CB 3.41Å; A112-F116 WeakPolarHBondContact O-CD2 3.43Å; A112-F116 WeakPolarHBondContact O-CG 3.42Å; A112-F116 PolarHBondContact O-N 3.31Å
113T68.3Low65.8Low15 Ų1556.2 Ų56.29%0.09230%0.298CS..Hα-helixtrans-59.6-41.9178.8-55.80000111.6L100 A109 F110 I111 S117 L178 Y181L100-T113 WeakPolarHBondContact CD1-OG1 3.25Å; A109-T113 WeakPolarHBondContact O-CB 3.49Å; A109-T113 PolarHBondContact O-N 3.36Å; A109-T113 PolarHBondContact O-OG1 3.23Å; F110-T113 PolarHBondContact O-N 3.12Å; I111-T113 PolarHBondContact O-N 2.73Å; T113-S117 WeakPolarHBondContact O-CA 3.24Å; T113-S117 WeakPolarHBondContact O-CB 3.34Å; T113-S117 PolarHBondContact O-N 2.92Å; T113-S117 PolarHBondContact O-OG 3.27Å; T113-L178 HydrophobicContact CG2-CD2 4.03Å; T113-Y181 HydrophobicContact CG2-CD1 4.26Å; T113-Y181 HydrophobicContact CG2-CD2 4.2Å; T113-Y181 HydrophobicContact CG2-CG 3.86Å
114F73Confident66.9Low106 Ų10650.5 Ų50.547%0.46527%0.266SS..Hα-helixtrans-60.2-50176.4-179.4-90.4000111.5F110 I111 A112 S117 G118 V174 L178F110-F114 WeakPolarHBondContact O-CB 3.13Å; F110-F114 PolarHBondContact O-N 2.83Å; I111-F114 PolarHBondContact O-N 3.26Å; A112-F114 VanDerWaalsContact C-N 3.32Å; A112-F114 PolarHBondContact O-N 2.97Å; F114-S117 PolarHBondContact O-N 3.4Å; F114-G118 PolarHBondContact O-N 2.97Å; F114-G118 VanDerWaalsContact O-N 3.08Å; F114-V174 HydrophobicContact CD2-CG1 4.02Å; F114-V174 HydrophobicContact CE2-CG1 3.93Å; F114-L178 HydrophobicContact CB-CD2 4.21Å; F114-L178 HydrophobicContact CD2-CD1 3.76Å; F114-L178 HydrophobicContact CE2-CD1 4.38Å
115L70.2Confident67.6Low59 Ų5948.7 Ų48.731%0.30925%0.253SS..Hα-helixtrans-65.2-48.2-179.4-69.7170.8000111.5L94 L96 I111 A112 S117 G118 R119L94-L115 HydrophobicContact CD1-CD1 3.8Å; L96-L115 HydrophobicContact CD1-CD1 3.84Å; I111-L115 HydrophobicContact CG2-CD1 3.69Å; I111-L115 HydrophobicContact CG2-CG 4.33Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.25Å; I111-L115 WeakPolarHBondContact O-CG 3.17Å; I111-L115 PolarHBondContact O-N 3.41Å; A112-L115 PolarHBondContact O-N 3.12Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.46Å; L115-G118 PolarHBondContact O-N 3.45Å; L115-R119 WeakPolarHBondContact O-CD 3.33Å; L115-R119 PolarHBondContact O-NE 2.88Å; L115-R119 VanDerWaalsContact O-NE 3.17Å
116F69.1Low68.1Low37 Ų3742.3 Ų42.316%0.16223%0.23CC..Hα-helixtrans-60.9-36173.8-68.8-58.3000111.8D87 L90 A91 A112 G118 R119D87-F116 HydrophobicContact CB-CD1 4.17Å; D87-F116 HydrophobicContact CB-CE1 4.13Å; D87-F116 VanDerWaalsContact O-CE1 3.3Å; D87-F116 WeakPolarHBondContact O-CE1 3.4Å; D87-F116 WeakPolarHBondContact OD1-CD1 3.47Å; L90-F116 HydrophobicContact CB-CE1 4.03Å; A91-F116 HydrophobicContact CB-CZ 3.98Å; A112-F116 VanDerWaalsContact C-CD2 3.48Å; A112-F116 HydrophobicContact CB-CD2 3.98Å; A112-F116 HydrophobicContact CB-CE2 3.87Å; A112-F116 WeakPolarHBondContact O-CB 3.41Å; A112-F116 WeakPolarHBondContact O-CD2 3.43Å; A112-F116 WeakPolarHBondContact O-CG 3.42Å; A112-F116 PolarHBondContact O-N 3.31Å; F116-G118 PolarHBondContact O-N 3.14Å; F116-R119 PolarHBondContact O-N 2.84Å
117S67.1Low68.4Low7 Ų741.4 Ų41.45%0.04922%0.215CC..Hα-helixtrans-68.1-34178.8-670000113.1T113 F114 L115 R119 R177T113-S117 WeakPolarHBondContact O-CA 3.24Å; T113-S117 WeakPolarHBondContact O-CB 3.34Å; T113-S117 PolarHBondContact O-N 2.92Å; T113-S117 PolarHBondContact O-OG 3.27Å; F114-S117 PolarHBondContact O-N 3.4Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.46Å; S117-R119 VanDerWaalsContact C-N 3.27Å; S117-R119 PolarHBondContact O-N 3.25Å; S117-R177 VanDerWaalsContact O-CZ 3.24Å; S117-R177 PolarHBondContact O-NE 3.49Å; S117-R177 PolarHBondContact O-NH2 3.24Å; S117-R177 VanDerWaalsContact OG-CB 3.26Å; S117-R177 WeakPolarHBondContact OG-CB 3.34Å
118G62.2Low68.6Low36 Ų3633.1 Ų33.137%0.37118%0.179SC..Hα-helixtrans-62.6-33.7177.700000113.1F114 L115 F116 S120F114-G118 PolarHBondContact O-N 2.97Å; F114-G118 VanDerWaalsContact O-N 3.08Å; L115-G118 PolarHBondContact O-N 3.45Å; F116-G118 PolarHBondContact O-N 3.14Å; G118-S120 VanDerWaalsContact C-N 3.32Å; G118-S120 PolarHBondContact O-N 3.11Å
119R59.2Low68.7Low55 Ų5531.3 Ų31.321%0.20816%0.162CC..Hα-helixtrans-72.3-21.4-171.5-68.6138.6-176.3175.71.5114.6L90 L94 L115 F116 S117 V121L90-R119 VanDerWaalsContact CB-NH1 3.27Å; L90-R119 HydrophobicContact CD1-CG 3.7Å; L90-R119 VanDerWaalsContact CD2-NH2 3.31Å; L94-R119 VanDerWaalsContact CD1-NH2 3.26Å; L115-R119 WeakPolarHBondContact O-CD 3.33Å; L115-R119 PolarHBondContact O-NE 2.88Å; L115-R119 VanDerWaalsContact O-NE 3.17Å; F116-R119 PolarHBondContact O-N 2.84Å; S117-R119 VanDerWaalsContact C-N 3.27Å; S117-R119 PolarHBondContact O-N 3.25Å; R119-V121 PolarHBondContact O-N 3.03Å
120S65.3Low68.8Low16 Ų1631.6 Ų31.611%0.11216%0.164CC..Hα-helixtrans-87.32.3-167.7-162.10000114.7G118 Q124G118-S120 VanDerWaalsContact C-N 3.32Å; G118-S120 PolarHBondContact O-N 3.11Å; S120-Q124 WeakPolarHBondContact O-CB 3.35Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.32Å; S120-Q124 PolarHBondContact OG-NE2 3.02Å
121V67.5Low68.9Low5 Ų527.8 Ų27.83%0.0315%0.148CC..Hα-helixtrans-72.2-46.5-173.6-172.20000111.8R119 Q124 L125 V166 L169 A170 Y233R119-V121 PolarHBondContact O-N 3.03Å; V121-Q124 PolarHBondContact O-N 3.1Å; V121-L125 PolarHBondContact O-N 3.47Å; V121-V166 HydrophobicContact CG1-CG1 4Å; V121-L169 HydrophobicContact CG1-CB 4.28Å; V121-L169 HydrophobicContact CG1-CG 4.3Å; V121-A170 HydrophobicContact CG2-CB 3.77Å; V121-Y233 HydrophobicContact CG1-CE1 4.04Å
122V66.4Low68.9Low34 Ų3423.6 Ų23.621%0.20613%0.126CC..Hα-helixtrans-67.1-43.7178.4179.20000110.8Q124 L125 M126 L151 V166V122-Q124 VanDerWaalsContact C-N 3.32Å; V122-Q124 PolarHBondContact O-N 3.17Å; V122-L125 WeakPolarHBondContact O-CB 3.42Å; V122-L125 PolarHBondContact O-N 3.44Å; V122-L125 VanDerWaalsContact O-N 3.15Å; V122-M126 HydrophobicContact CG1-SD 4.48Å; V122-M126 WeakPolarHBondContact O-CG 3.43Å; V122-M126 PolarHBondContact O-N 2.99Å; V122-L151 HydrophobicContact CG1-CB 4.49Å; V122-L151 HydrophobicContact CG1-CD2 4.14Å; V122-L151 HydrophobicContact CG2-CD1 3.79Å; V122-L151 HydrophobicContact CG2-CD2 4.2Å; V122-L151 HydrophobicContact CG2-CG 4.45Å; V122-V166 HydrophobicContact CG2-CG1 3.96Å
123L70.6Confident68.6Low11 Ų1124.8 Ų24.86%0.05814%0.136CC..Hα-helixtrans-66.3-36.6178.9-66159.9000111.6L82 D83 L86 M126 L127L82-L123 HydrophobicContact CB-CD2 3.65Å; L82-L123 HydrophobicContact CD1-CD2 3.76Å; L82-L123 HydrophobicContact CG-CD2 4.37Å; D83-L123 WeakPolarHBondContact OD1-CD1 3.29Å; L86-L123 HydrophobicContact CD1-CD1 3.41Å; L86-L123 VanDerWaalsContact CD1-CD1 3.41Å; L86-L123 HydrophobicContact CD1-CG 4.43Å; L123-M126 HydrophobicContact CD2-SD 4.34Å; L123-M126 PolarHBondContact O-N 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.35Å; L123-L127 PolarHBondContact O-N 3.39Å
124Q72.6Confident68.1Low33 Ų3325.6 Ų25.615%0.15414%0.141CC..Hα-helixtrans-67.1-38.7172.5-76.8168.315.600111.7S120 V121 V122 M126 L127 F128 Y233S120-Q124 WeakPolarHBondContact O-CB 3.35Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.32Å; S120-Q124 PolarHBondContact OG-NE2 3.02Å; V121-Q124 PolarHBondContact O-N 3.1Å; V122-Q124 VanDerWaalsContact C-N 3.32Å; V122-Q124 PolarHBondContact O-N 3.17Å; Q124-M126 VanDerWaalsContact C-N 3.33Å; Q124-M126 PolarHBondContact O-N 2.84Å; Q124-L127 WeakPolarHBondContact O-CB 3.47Å; Q124-L127 PolarHBondContact O-N 3.38Å; Q124-F128 HydrophobicContact CB-CD2 4.3Å; Q124-F128 HydrophobicContact CB-CE2 4.04Å; Q124-F128 WeakPolarHBondContact O-CD2 3.24Å; Q124-F128 PolarHBondContact O-N 2.92Å; Q124-Y233 HydrophobicContact CB-CE1 4.4Å; Q124-Y233 HydrophobicContact CB-CE2 4.3Å; Q124-Y233 PolarHBondContact OE1-OH 2.87Å
125L69.6Low67.1Low8 Ų829.5 Ų29.54%0.04215%0.153CC..Hα-helixtrans-60.3-44174.4-17262.1000111.7V121 V122 L127 F128 T129 R150 V166 Y233V121-L125 PolarHBondContact O-N 3.47Å; V122-L125 WeakPolarHBondContact O-CB 3.42Å; V122-L125 PolarHBondContact O-N 3.44Å; V122-L125 VanDerWaalsContact O-N 3.15Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 3.03Å; L125-F128 PolarHBondContact O-N 2.92Å; L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 2.88Å; L125-R150 HydrophobicContact CD2-CB 4.36Å; L125-V166 HydrophobicContact CD2-CG2 4.12Å; L125-Y233 HydrophobicContact CD1-CD1 4.28Å; L125-Y233 WeakPolarHBondContact CD1-O 3.43Å
126M68.7Low66.4Low9 Ų929.5 Ų29.54%0.04417%0.168CC..Hα-helixtrans-61.5-39.1174.6-69169.556.700112.8T79 L82 V122 L123 Q124 T129 S130 L144T79-M126 HydrophobicContact CG2-CB 4.18Å; T79-M126 HydrophobicContact CG2-CE 4.43Å; L82-M126 HydrophobicContact CD1-CE 4.36Å; V122-M126 HydrophobicContact CG1-SD 4.48Å; V122-M126 WeakPolarHBondContact O-CG 3.43Å; V122-M126 PolarHBondContact O-N 2.99Å; L123-M126 HydrophobicContact CD2-SD 4.34Å; L123-M126 PolarHBondContact O-N 3.29Å; Q124-M126 VanDerWaalsContact C-N 3.33Å; Q124-M126 PolarHBondContact O-N 2.84Å; M126-T129 PolarHBondContact O-OG1 3.47Å; M126-S130 PolarHBondContact O-N 2.87Å; M126-S130 PolarHBondContact O-OG 2.88Å; M126-L144 HydrophobicContact CE-CB 4.17Å; M126-L144 HydrophobicContact CE-CD1 3.2Å; M126-L144 HydrophobicContact CE-CG 4.28Å; M126-L144 HydrophobicContact SD-CD1 4.08Å
127L71.6Confident65.7Low23 Ų2337.8 Ų37.812%0.1220%0.203CC..Hα-helixtrans-64.8-43.7175-87.6171.7000112.6S76 T79 L123 Q124 L125 S130 L131S76-L127 VanDerWaalsContact CA-CD2 3.49Å; T79-L127 HydrophobicContact CG2-CD1 4.44Å; T79-L127 HydrophobicContact CG2-CD2 3.9Å; T79-L127 HydrophobicContact CG2-CG 3.59Å; T79-L127 WeakPolarHBondContact OG1-CD1 3Å; T79-L127 WeakPolarHBondContact OG1-CD2 3.15Å; T79-L127 WeakPolarHBondContact OG1-CG 3.23Å; L123-L127 WeakPolarHBondContact O-CG 3.35Å; L123-L127 PolarHBondContact O-N 3.39Å; Q124-L127 WeakPolarHBondContact O-CB 3.47Å; Q124-L127 PolarHBondContact O-N 3.38Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 3.03Å; L127-S130 PolarHBondContact O-N 3.2Å; L127-S130 PolarHBondContact O-OG 3.33Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CD1 3.16Å; L127-L131 WeakPolarHBondContact O-CG 3.11Å; L127-L131 PolarHBondContact O-N 3.05Å
128F73.7Confident65.4Low10 Ų1039.9 Ų39.94%0.04422%0.217CC..Hα-helixtrans-68.7-46.8-175.7-77.2-62000111R35 Q124 L125 S130 L131 F132 Y230 Y233R35-F128 HydrophobicContact CG-CE1 4.05Å; Q124-F128 HydrophobicContact CB-CD2 4.3Å; Q124-F128 HydrophobicContact CB-CE2 4.04Å; Q124-F128 WeakPolarHBondContact O-CD2 3.24Å; Q124-F128 PolarHBondContact O-N 2.92Å; L125-F128 PolarHBondContact O-N 2.92Å; F128-S130 PolarHBondContact O-N 2.91Å; F128-L131 HydrophobicContact CD1-CD1 4.46Å; F128-L131 PolarHBondContact O-N 3.47Å; F128-F132 HydrophobicContact CB-CD2 4.3Å; F128-F132 HydrophobicContact CB-CE2 4.2Å; F128-F132 HydrophobicContact CD1-CD2 4.41Å; F128-F132 AromaticContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CZ 4.45Å; F128-F132 HydrophobicContact CG-CE2 4.36Å; F128-F132 WeakPolarHBondContact O-CD2 3Å; F128-F132 PolarHBondContact O-N 3.33Å; F128-Y230 AromaticContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CE1 4.01Å; F128-Y230 HydrophobicContact CE1-CG 4.23Å; F128-Y230 AromaticContact CE2-CD1 3.65Å; F128-Y230 HydrophobicContact CE2-CD1 3.65Å; F128-Y230 AromaticContact CE2-CE1 3.87Å; F128-Y230 HydrophobicContact CE2-CE1 3.87Å; F128-Y230 AromaticContact CZ-CD1 3.07Å; F128-Y230 HydrophobicContact CZ-CD1 3.07Å; F128-Y230 AromaticContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CG 4.15Å; F128-Y233 AromaticContact CD2-CD2 3.34Å; F128-Y233 HydrophobicContact CD2-CD2 3.34Å; F128-Y233 AromaticContact CD2-CE2 3.92Å; F128-Y233 HydrophobicContact CD2-CE2 3.92Å; F128-Y233 AromaticContact CD2-CG 3.72Å; F128-Y233 HydrophobicContact CD2-CG 3.72Å; F128-Y233 AromaticContact CE2-CD2 3.3Å; F128-Y233 HydrophobicContact CE2-CD2 3.3Å; F128-Y233 AromaticContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CE2 3.5Å; F128-Y233 VanDerWaalsContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CG 4.16Å; F128-Y233 HydrophobicContact CG-CD2 4.34Å; F128-Y233 HydrophobicContact CZ-CD2 4.25Å; F128-Y233 HydrophobicContact CZ-CE2 4.46Å
129T68.7Low65.6Low13 Ų1339.6 Ų39.68%0.0821%0.214CC..Hα-helixtrans-56.9-38.8178.654.50000112.2L125 M126 A133L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 2.88Å; M126-T129 PolarHBondContact O-OG1 3.47Å; T129-A133 PolarHBondContact O-N 3.18Å
130S70.1Confident66.1Low9 Ų940.1 Ų40.16%0.06322%0.22CC..Hα-helixtrans-75.4-34.6179.970.60000114.5S75 M126 L127 F128 F132S75-S130 WeakPolarHBondContact CB-OG 3.39Å; S75-S130 VanDerWaalsContact OG-CB 3.31Å; S75-S130 WeakPolarHBondContact OG-CB 2.91Å; S75-S130 PolarHBondContact OG-OG 2.94Å; M126-S130 PolarHBondContact O-N 2.87Å; M126-S130 PolarHBondContact O-OG 2.88Å; L127-S130 PolarHBondContact O-N 3.2Å; L127-S130 PolarHBondContact O-OG 3.33Å; F128-S130 PolarHBondContact O-N 2.91Å; S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 3.22Å
131L72Confident66.6Low9 Ų947.2 Ų47.25%0.04725%0.25CC..Hα-helixtrans-67-28.2176.6-75.1166.1000112.6L28 V32 Q36 L127 F128L28-L131 HydrophobicContact CD1-CD2 3.83Å; V32-L131 HydrophobicContact CG2-CD2 3.72Å; Q36-L131 PolarHBondContact NE2-O 3Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CD1 3.16Å; L127-L131 WeakPolarHBondContact O-CG 3.11Å; L127-L131 PolarHBondContact O-N 3.05Å; F128-L131 HydrophobicContact CD1-CD1 4.46Å; F128-L131 PolarHBondContact O-N 3.47Å
132F71.1Confident66.9Low0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-101.5-14.1-172.4-70.4-65.7000114.8R35 Q36 V39 F128 S130 V134 L234 V239 I241R35-F132 HydrophobicContact CB-CE1 3.79Å; R35-F132 HydrophobicContact CB-CE2 4.39Å; R35-F132 HydrophobicContact CB-CZ 3.5Å; R35-F132 HydrophobicContact CG-CZ 4.45Å; R35-F132 WeakPolarHBondContact O-CE1 3.37Å; R35-F132 WeakPolarHBondContact O-CZ 3.48Å; Q36-F132 HydrophobicContact CG-CD1 4.38Å; Q36-F132 HydrophobicContact CG-CE1 4.36Å; V39-F132 HydrophobicContact CB-CE1 4.34Å; V39-F132 HydrophobicContact CB-CZ 4.1Å; V39-F132 HydrophobicContact CG1-CE1 4.13Å; V39-F132 HydrophobicContact CG1-CE2 4.01Å; V39-F132 HydrophobicContact CG1-CZ 3.42Å; V39-F132 VanDerWaalsContact CG1-CZ 3.42Å; V39-F132 HydrophobicContact CG2-CD1 4.02Å; V39-F132 HydrophobicContact CG2-CE1 3.31Å; V39-F132 HydrophobicContact CG2-CE2 4.44Å; V39-F132 HydrophobicContact CG2-CZ 3.55Å; F128-F132 HydrophobicContact CB-CD2 4.3Å; F128-F132 HydrophobicContact CB-CE2 4.2Å; F128-F132 HydrophobicContact CD1-CD2 4.41Å; F128-F132 AromaticContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CE2 3.64Å; F128-F132 HydrophobicContact CD1-CZ 4.45Å; F128-F132 HydrophobicContact CG-CE2 4.36Å; F128-F132 WeakPolarHBondContact O-CD2 3Å; F128-F132 PolarHBondContact O-N 3.33Å; S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 3.22Å; F132-V134 PolarHBondContact O-N 3.05Å; F132-L234 HydrophobicContact CD1-CD1 4.5Å; F132-L234 HydrophobicContact CD2-CD1 3.64Å; F132-L234 HydrophobicContact CD2-CD2 3.65Å; F132-L234 HydrophobicContact CD2-CG 3.96Å; F132-L234 HydrophobicContact CE1-CD1 4.43Å; F132-L234 HydrophobicContact CE2-CD1 3.58Å; F132-L234 HydrophobicContact CE2-CD2 4.12Å; F132-L234 HydrophobicContact CE2-CG 3.93Å; F132-L234 HydrophobicContact CG-CD1 4.13Å; F132-L234 HydrophobicContact CG-CD2 4.42Å; F132-L234 HydrophobicContact CZ-CD1 3.99Å; F132-V239 HydrophobicContact CB-CG1 3.44Å; F132-V239 VanDerWaalsContact CB-CG1 3.44Å; F132-V239 WeakPolarHBondContact O-CG1 3.31Å; F132-I241 HydrophobicContact CB-CG2 4.14Å; F132-I241 HydrophobicContact CD1-CG2 3.69Å; F132-I241 HydrophobicContact CE1-CG2 4.4Å; F132-I241 HydrophobicContact CG-CG2 4.19Å
133A63Low67.1Low25 Ų2550.3 Ų50.321%0.20727%0.265CS..  trans-68103.9-17600000112.6T129 P138T129-A133 PolarHBondContact O-N 3.18Å; A133-P138 HydrophobicContact CB-CG 3.56Å
134V58.9Low67.3Low33 Ų3352.1 Ų52.120%0.228%0.275CS..  trans-91.1-23.8177.8-178.30000113.4F132 I240 D242 V250F132-V134 PolarHBondContact O-N 3.05Å; V134-I240 WeakPolarHBondContact CB-O 3.33Å; V134-I240 WeakPolarHBondContact CG2-O 3.4Å; V134-I240 PolarHBondContact N-O 2.91Å; V134-D242 WeakPolarHBondContact CG1-OD1 3.44Å; V134-D242 WeakPolarHBondContact CG2-OD1 3.25Å; V134-V250 HydrophobicContact CB-CG1 4.48Å; V134-V250 HydrophobicContact CG1-CG1 3.65Å
135R52.5Low67.5Low187 Ų18754.1 Ų54.171%0.70629%0.292SS*.SBendtrans-125.5122.3-176.3-85.9-176.8167.8-178.8-3.7112I240R135-I240 HydrophobicContact CB-CD1 4.44Å
136G54.8Low67.6Low60 Ų6056.9 Ų56.962%0.61931%0.305SS*.SBendtrans80.6114.3-169.100000108.7P138G136-P138 WeakPolarHBondContact O-CD 3.21Å
137K55.2Low67.9Low210 Ų21056.5 Ų56.591%0.91330%0.303SS*.  trans-65.795.5173-66.2173.1-178.7173.10105.8G139K137-G139 PolarHBondContact O-N 2.8Å; K137-G139 VanDerWaalsContact O-N 3.15Å
138P60.2Low68.1Low52 Ų5259.7 Ų59.734%0.33832%0.32SS..  trans-69.3125.2178.319-3.9000104.6A133 G136 D142A133-P138 HydrophobicContact CB-CG 3.56Å; G136-P138 WeakPolarHBondContact O-CD 3.21Å; P138-D142 HydrophobicContact CB-CB 3.92Å
139G65.1Low68.1Low30 Ų3061.2 Ų61.231%0.30933%0.332SS..  trans-52.1157.3170.200000109.2K137 F141 D142 C143K137-G139 PolarHBondContact O-N 2.8Å; K137-G139 VanDerWaalsContact O-N 3.15Å; G139-F141 PolarHBondContact O-N 3.21Å; G139-F141 VanDerWaalsContact O-N 3.15Å; G139-D142 PolarHBondContact N-OD2 3.21Å; G139-D142 PolarHBondContact O-N 3.11Å; G139-C143 PolarHBondContact O-N 2.91Å; G139-C143 VanDerWaalsContact O-N 3.08Å
140I71.5Confident68.3Low65 Ų6561.4 Ų61.433%0.33333%0.331SS..Hα-helixtrans-52.7-37.5171.1-59.2166.1000109.4V78 C143 L144V78-I140 HydrophobicContact CB-CG2 4.45Å; V78-I140 HydrophobicContact CG1-CG2 4.5Å; V78-I140 HydrophobicContact CG2-CG2 3.96Å; I140-C143 PolarHBondContact O-N 3.25Å; I140-L144 VanDerWaalsContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CB 3.32Å; I140-L144 PolarHBondContact O-N 2.81Å
141F74.1Confident68.5Low166 Ų16663.4 Ų63.473%0.72834%0.341SS*.Hα-helixtrans-66.9-34.4175.8-64-71.5000113.8G139 L144 S145G139-F141 PolarHBondContact O-N 3.21Å; G139-F141 VanDerWaalsContact O-N 3.15Å; F141-L144 PolarHBondContact O-N 3.48Å; F141-S145 WeakPolarHBondContact O-CB 3.28Å; F141-S145 PolarHBondContact O-N 3.45Å
142D73.8Confident68.7Low95 Ų9565.5 Ų65.551%0.50836%0.356SS..Hα-helixtrans-69.5-41.8176.2-58.7-29.1000110.5P138 G139 L144 S145 E146P138-D142 HydrophobicContact CB-CB 3.92Å; G139-D142 PolarHBondContact N-OD2 3.21Å; G139-D142 PolarHBondContact O-N 3.11Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 2.94Å; D142-S145 PolarHBondContact O-N 2.85Å; D142-E146 VanDerWaalsContact O-CB 3.3Å; D142-E146 WeakPolarHBondContact O-CB 3.39Å; D142-E146 PolarHBondContact O-N 3.11Å
143C71.7Confident68.8Low8 Ų866.4 Ų66.45%0.05436%0.364CS..Hα-helixtrans-64.2-40.2175.7-61.30000111.5G139 I140 G147G139-C143 PolarHBondContact O-N 2.91Å; G139-C143 VanDerWaalsContact O-N 3.08Å; I140-C143 PolarHBondContact O-N 3.25Å; C143-G147 PolarHBondContact O-N 3.4Å
144L73.9Confident69.2Low50 Ų5066.9 Ų66.926%0.26236%0.363SS..Hα-helixtrans-66.8-46.1175.9176.268.7000111.4M126 I140 F141 D142 G147 L148M126-L144 HydrophobicContact CE-CB 4.17Å; M126-L144 HydrophobicContact CE-CD1 3.2Å; M126-L144 HydrophobicContact CE-CG 4.28Å; M126-L144 HydrophobicContact SD-CD1 4.08Å; I140-L144 VanDerWaalsContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CB 3.32Å; I140-L144 PolarHBondContact O-N 2.81Å; F141-L144 PolarHBondContact O-N 3.48Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 2.94Å; L144-G147 PolarHBondContact O-N 2.96Å; L144-L148 HydrophobicContact CD1-CD1 3.96Å; L144-L148 HydrophobicContact CD1-CG 4.19Å; L144-L148 HydrophobicContact CG-CD1 3.89Å; L144-L148 HydrophobicContact CG-CG 4.45Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.42Å; L144-L148 PolarHBondContact O-N 3.18Å
145S76.5Confident69.8Low75 Ų7571.6 Ų71.652%0.52439%0.387SS..Hα-helixtrans-61.8-43.3177.6-178.50000111F141 D142 L148 S149F141-S145 WeakPolarHBondContact O-CB 3.28Å; F141-S145 PolarHBondContact O-N 3.45Å; D142-S145 PolarHBondContact O-N 2.85Å; S145-L148 PolarHBondContact O-N 3.46Å; S145-S149 WeakPolarHBondContact O-CB 3.47Å; S145-S149 PolarHBondContact O-N 3.01Å; S145-S149 PolarHBondContact O-OG 3.25Å
146E72.9Confident70.7Confident65 Ų6569.2 Ų69.230%0.30439%0.387SS..Hα-helixtrans-65.7-39.2175.1179.964.8-165.800112.2D142 S149 R150 R163D142-E146 VanDerWaalsContact O-CB 3.3Å; D142-E146 WeakPolarHBondContact O-CB 3.39Å; D142-E146 PolarHBondContact O-N 3.11Å; E146-S149 WeakPolarHBondContact CA-OG 3.35Å; E146-S149 PolarHBondContact O-OG 2.91Å; E146-R150 WeakPolarHBondContact O-CD 3.48Å; E146-R150 WeakPolarHBondContact O-CG 3.38Å; E146-R150 PolarHBondContact O-N 3.02Å; E146-R150 IonicContact OE1-CZ 3.25Å; E146-R150 VanDerWaalsContact OE1-CZ 3.25Å; E146-R150 IonicContact OE1-NE 2.78Å; E146-R150 PolarHBondContact OE1-NE 3.22Å; E146-R150 IonicContact OE1-NH2 2.84Å; E146-R150 PolarHBondContact OE1-NH2 2.9Å; E146-R163 IonicContact OE1-NH2 3.74Å
147G73.9Confident71.2Confident1 Ų169 Ų691%0.0138%0.384CS..Hα-helixtrans-65.1-43.8174.800000112.6C143 L144 L151C143-G147 PolarHBondContact O-N 3.4Å; L144-G147 PolarHBondContact O-N 2.96Å; G147-L151 PolarHBondContact O-N 3.32Å; G147-L151 VanDerWaalsContact O-N 3.14Å
148L75.6Confident71.4Confident91 Ų9166.1 Ų66.148%0.47638%0.375SS..Hα-helixtrans-69.8-39.2177.5-73.6172.8000112.1L144 S145 R150 L151 S152L144-L148 HydrophobicContact CD1-CD1 3.96Å; L144-L148 HydrophobicContact CD1-CG 4.19Å; L144-L148 HydrophobicContact CG-CD1 3.89Å; L144-L148 HydrophobicContact CG-CG 4.45Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.42Å; L144-L148 PolarHBondContact O-N 3.18Å; S145-L148 PolarHBondContact O-N 3.46Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.32Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 2.93Å; L148-S152 PolarHBondContact O-OG 3.45Å
149S75.2Confident71.1Confident42 Ų4267 Ų6729%0.29438%0.381SS..Hα-helixtrans-63.4-41.8179.370.90000110.7S145 E146 S152 A153S145-S149 WeakPolarHBondContact O-CB 3.47Å; S145-S149 PolarHBondContact O-N 3.01Å; S145-S149 PolarHBondContact O-OG 3.25Å; E146-S149 WeakPolarHBondContact CA-OG 3.35Å; E146-S149 PolarHBondContact O-OG 2.91Å; S149-S152 WeakPolarHBondContact CA-OG 3.33Å; S149-S152 PolarHBondContact O-N 3.35Å; S149-S152 PolarHBondContact O-OG 3.49Å; S149-A153 WeakPolarHBondContact O-CB 3.41Å; S149-A153 PolarHBondContact O-N 3.1Å
150R72.2Confident70.8Confident17 Ų1770.8 Ų70.86%0.06439%0.394CS..Hα-helixtrans-63.1-46173.2-70.5174.1-173.4-158.53.1112.4L125 E146 L148 S152 A153 D154 S237L125-R150 HydrophobicContact CD2-CB 4.36Å; E146-R150 WeakPolarHBondContact O-CD 3.48Å; E146-R150 WeakPolarHBondContact O-CG 3.38Å; E146-R150 PolarHBondContact O-N 3.02Å; E146-R150 IonicContact OE1-CZ 3.25Å; E146-R150 VanDerWaalsContact OE1-CZ 3.25Å; E146-R150 IonicContact OE1-NE 2.78Å; E146-R150 PolarHBondContact OE1-NE 3.22Å; E146-R150 IonicContact OE1-NH2 2.84Å; E146-R150 PolarHBondContact OE1-NH2 2.9Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.32Å; R150-S152 VanDerWaalsContact C-N 3.29Å; R150-S152 PolarHBondContact O-N 2.73Å; R150-A153 PolarHBondContact O-N 3.46Å; R150-D154 PolarHBondContact O-N 3.17Å; R150-S237 VanDerWaalsContact CZ-OG 3.24Å; R150-S237 PolarHBondContact NH1-OG 2.64Å; R150-S237 VanDerWaalsContact NH2-CB 3.26Å; R150-S237 PolarHBondContact NH2-OG 3.35Å
151L74.6Confident70.2Confident50 Ų5073.9 Ų73.926%0.26242%0.421SS..Hα-helixtrans-59.9-43.4175.6179.662.9000111V122 G147 L148 D154 L155V122-L151 HydrophobicContact CG1-CB 4.49Å; V122-L151 HydrophobicContact CG1-CD2 4.14Å; V122-L151 HydrophobicContact CG2-CD1 3.79Å; V122-L151 HydrophobicContact CG2-CD2 4.2Å; V122-L151 HydrophobicContact CG2-CG 4.45Å; G147-L151 PolarHBondContact O-N 3.32Å; G147-L151 VanDerWaalsContact O-N 3.14Å; L148-L151 PolarHBondContact O-N 3.16Å; L151-D154 PolarHBondContact O-N 3.37Å; L151-L155 HydrophobicContact CD1-CD1 3.95Å; L151-L155 HydrophobicContact CD1-CG 4.23Å; L151-L155 HydrophobicContact CD2-CD1 4.44Å; L151-L155 HydrophobicContact CG-CD1 3.8Å; L151-L155 HydrophobicContact CG-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.33Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.17Å; L151-L155 PolarHBondContact O-N 2.84Å
152S75.7Confident69.6Low53 Ų5375 Ų7537%0.37142%0.421SS..Hα-helixtrans-66.8-39.4178.467.30000112.5L148 S149 R150 D154 L155 L156L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 2.93Å; L148-S152 PolarHBondContact O-OG 3.45Å; S149-S152 WeakPolarHBondContact CA-OG 3.33Å; S149-S152 PolarHBondContact O-N 3.35Å; S149-S152 PolarHBondContact O-OG 3.49Å; R150-S152 VanDerWaalsContact C-N 3.29Å; R150-S152 PolarHBondContact O-N 2.73Å; S152-D154 VanDerWaalsContact C-N 3.35Å; S152-L155 PolarHBondContact O-N 3.33Å; S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 WeakPolarHBondContact O-CD1 3.31Å; S152-L156 WeakPolarHBondContact O-CG 3.22Å; S152-L156 PolarHBondContact O-N 2.93Å
153A73.3Confident69.2Low20 Ų2074.5 Ų74.517%0.16541%0.412CS..Hα-helixtrans-64-42.517800000111.2S149 R150 G157 Q158S149-A153 WeakPolarHBondContact O-CB 3.41Å; S149-A153 PolarHBondContact O-N 3.1Å; R150-A153 PolarHBondContact O-N 3.46Å; A153-G157 PolarHBondContact O-N 3.2Å; A153-G157 VanDerWaalsContact O-N 3.07Å; A153-Q158 PolarHBondContact O-N 2.73Å
154D72.1Confident68.8Low35 Ų3575.9 Ų75.919%0.18742%0.417CS..Hα-helixtrans-69.1-37.8177.3-71.2-2.6000112.4R150 L151 S152 V166R150-D154 PolarHBondContact O-N 3.17Å; L151-D154 PolarHBondContact O-N 3.37Å; S152-D154 VanDerWaalsContact C-N 3.35Å; D154-V166 VanDerWaalsContact OD2-CB 3.28Å; D154-V166 WeakPolarHBondContact OD2-CB 3.35Å; D154-V166 WeakPolarHBondContact OD2-CG2 3.47Å; D154-V166 PolarHBondContact OD2-N 3.42Å
155L70.2Confident68.4Low132 Ų13276.8 Ų76.869%0.69142%0.422SS*.Hα-helixtrans-71.9-35.7176.6-75.7169.5000112.7L151 S152 G157L151-L155 HydrophobicContact CD1-CD1 3.95Å; L151-L155 HydrophobicContact CD1-CG 4.23Å; L151-L155 HydrophobicContact CD2-CD1 4.44Å; L151-L155 HydrophobicContact CG-CD1 3.8Å; L151-L155 HydrophobicContact CG-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.33Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.17Å; L151-L155 PolarHBondContact O-N 2.84Å; S152-L155 PolarHBondContact O-N 3.33Å; L155-G157 VanDerWaalsContact C-N 3.33Å
156L72.5Confident68.1Low136 Ų13673.9 Ų73.971%0.71240%0.401SS*.THydrogen-bonded Turntrans-89.22.1-179-65.8167.3000113S152 Q158S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 WeakPolarHBondContact O-CD1 3.31Å; S152-L156 WeakPolarHBondContact O-CG 3.22Å; S152-L156 PolarHBondContact O-N 2.93Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.34Å
157G65.4Low67.8Low55 Ų5575.6 Ų75.657%0.56742%0.419SS*.THydrogen-bonded Turntrans75.212.7174.500000115.4A153 L155 C159A153-G157 PolarHBondContact O-N 3.2Å; A153-G157 VanDerWaalsContact O-N 3.07Å; L155-G157 VanDerWaalsContact C-N 3.33Å; G157-C159 VanDerWaalsContact C-N 3.28Å; G157-C159 PolarHBondContact O-N 3.46Å
158Q58.4Low67.7Low151 Ų15181.1 Ų81.171%0.70644%0.44SS*.  trans-82.876.4171.8-76.5-177-13.800109.6A153 L156 D160A153-Q158 PolarHBondContact O-N 2.73Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.34Å; Q158-D160 PolarHBondContact O-N 3.17Å
159C54.9Low67.8Low69 Ų6977.2 Ų77.247%0.46642%0.42SS..  trans-82.2104.7178.8-66.60000110.8G157 S161 N165G157-C159 VanDerWaalsContact C-N 3.28Å; G157-C159 PolarHBondContact O-N 3.46Å; C159-S161 PolarHBondContact O-N 3.45Å; C159-N165 PolarHBondContact SG-OD1 3.29Å; C159-N165 VanDerWaalsContact SG-OD1 3.38Å
160D59.2Low67.8Low111 Ų11176.4 Ų76.459%0.59442%0.416SS*.  trans-68.3123.6159.6-87.2-23.2000108.8Q158 R162 R163Q158-D160 PolarHBondContact O-N 3.17Å; D160-R162 PolarHBondContact O-N 3.17Å; D160-R163 PolarHBondContact O-N 3.43Å
161S57.5Low68Low129 Ų12981.1 Ų81.190%0.90244%0.442SS*.THydrogen-bonded Turntrans-57.3-7.8-175.6-43.70000115.5C159C159-S161 PolarHBondContact O-N 3.45Å
162R61.8Low68.2Low189 Ų18979.3 Ų79.371%0.71343%0.433SS*.THydrogen-bonded Turntrans-92.8-12.6-179.4-64.7-175.9-178-167.71.7113.7D160D160-R162 PolarHBondContact O-N 3.17Å
163R64.9Low68.2Low86 Ų8676.8 Ų76.833%0.32542%0.416SS..SBendtrans-109.5141.9-175.1-72.1169.5177.2-174.3-2.5110.2E146 D160 G236E146-R163 IonicContact OE1-NH2 3.74Å; D160-R163 PolarHBondContact O-N 3.43Å; R163-G236 PolarHBondContact NE-O 2.63Å; R163-G236 PolarHBondContact NH2-O 2.91Å
164F64.6Low68.4Low36 Ų3676.6 Ų76.616%0.15841%0.412CS..  trans-79.1132.4168.3-82-72.1000109.7V166 Y168 L232 Q235 Y257 Q258F164-V166 PolarHBondContact O-N 3.46Å; F164-Y168 AromaticContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CE1 4.17Å; F164-Y168 HydrophobicContact CD1-CG 4.5Å; F164-Y168 AromaticContact CE1-CD1 3.97Å; F164-Y168 HydrophobicContact CE1-CD1 3.97Å; F164-Y168 AromaticContact CE1-CE1 3.96Å; F164-Y168 HydrophobicContact CE1-CE1 3.96Å; F164-L232 HydrophobicContact CD2-CD2 3.97Å; F164-L232 HydrophobicContact CE2-CD2 3.43Å; F164-L232 VanDerWaalsContact CE2-CD2 3.43Å; F164-L232 HydrophobicContact CZ-CD2 4.02Å; F164-Q235 HydrophobicContact CD2-CB 4.32Å; F164-Q235 HydrophobicContact CD2-CG 4.29Å; F164-Q235 VanDerWaalsContact CE2-OE1 3.23Å; F164-Y257 WeakPolarHBondContact CE2-O 3.27Å; F164-Y257 WeakPolarHBondContact CZ-O 3.32Å; F164-Q258 WeakPolarHBondContact CE1-O 3.38Å
165N65.5Low68.7Low69 Ų6979.2 Ų79.237%0.36943%0.426SS..  trans-53.3128.2167.9-67.2-4.3000109.1C159 C167 Y168 L169C159-N165 PolarHBondContact SG-OD1 3.29Å; C159-N165 VanDerWaalsContact SG-OD1 3.38Å; N165-C167 PolarHBondContact O-N 2.65Å; N165-Y168 WeakPolarHBondContact O-CA 3.26Å; N165-Y168 WeakPolarHBondContact O-CB 3.14Å; N165-Y168 PolarHBondContact O-N 2.75Å; N165-L169 PolarHBondContact O-N 2.81Å
166V69.6Low69.2Low14 Ų1474 Ų749%0.08540%0.398CS..Hα-helixtrans-52.4-32.2178.2166.70000111.2V121 V122 L125 D154 F164 L169 A170V121-V166 HydrophobicContact CG1-CG1 4Å; V122-V166 HydrophobicContact CG2-CG1 3.96Å; L125-V166 HydrophobicContact CD2-CG2 4.12Å; D154-V166 VanDerWaalsContact OD2-CB 3.28Å; D154-V166 WeakPolarHBondContact OD2-CB 3.35Å; D154-V166 WeakPolarHBondContact OD2-CG2 3.47Å; D154-V166 PolarHBondContact OD2-N 3.42Å; F164-V166 PolarHBondContact O-N 3.46Å; V166-L169 CarbonylContact O-C 3.57Å; V166-L169 WeakPolarHBondContact O-CB 3.39Å; V166-L169 PolarHBondContact O-N 2.86Å; V166-A170 PolarHBondContact O-N 3.42Å
167C66.3Low69.3Low102 Ų10269.4 Ų69.469%0.68937%0.371SS*.Hα-helixtrans-62.7-40.4173.6-63.90000113.2N165 L169 A170N165-C167 PolarHBondContact O-N 2.65Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 2.81Å; C167-A170 WeakPolarHBondContact O-CB 3.32Å; C167-A170 PolarHBondContact O-N 3.11Å
168Y72.9Confident69.8Low116 Ų11667.5 Ų67.546%0.45535%0.348SS..Hα-helixtrans-68.3-33.6176-169.7-98.5000111.1F164 N165 A170 P172 V260F164-Y168 AromaticContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CD1 3.69Å; F164-Y168 HydrophobicContact CD1-CE1 4.17Å; F164-Y168 HydrophobicContact CD1-CG 4.5Å; F164-Y168 AromaticContact CE1-CD1 3.97Å; F164-Y168 HydrophobicContact CE1-CD1 3.97Å; F164-Y168 AromaticContact CE1-CE1 3.96Å; F164-Y168 HydrophobicContact CE1-CE1 3.96Å; N165-Y168 WeakPolarHBondContact O-CA 3.26Å; N165-Y168 WeakPolarHBondContact O-CB 3.14Å; N165-Y168 PolarHBondContact O-N 2.75Å; Y168-A170 VanDerWaalsContact C-N 3.3Å; Y168-P172 WeakPolarHBondContact O-CD 3.14Å; Y168-V260 HydrophobicContact CE1-CG2 4.1Å
169L76.7Confident70.6Confident9 Ų962.3 Ų62.35%0.04733%0.328CS..Hα-helixtrans-74.4-21.4176-164.952.6000113.1V121 N165 V166 C167 L171 P172 S173 L232 Y233V121-L169 HydrophobicContact CG1-CB 4.28Å; V121-L169 HydrophobicContact CG1-CG 4.3Å; N165-L169 PolarHBondContact O-N 2.81Å; V166-L169 CarbonylContact O-C 3.57Å; V166-L169 WeakPolarHBondContact O-CB 3.39Å; V166-L169 PolarHBondContact O-N 2.86Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 2.81Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.06Å; L169-P172 WeakPolarHBondContact O-CD 3.36Å; L169-S173 WeakPolarHBondContact O-CB 2.99Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 2.96Å; L169-L232 HydrophobicContact CD1-CB 3.51Å; L169-L232 HydrophobicContact CD1-CD1 4.24Å; L169-Y233 HydrophobicContact CD1-CD1 4.37Å; L169-Y233 HydrophobicContact CD1-CE1 4.29Å; L169-Y233 HydrophobicContact CD2-CD1 3.16Å; L169-Y233 HydrophobicContact CD2-CE1 3.45Å; L169-Y233 VanDerWaalsContact CD2-CE1 3.45Å; L169-Y233 HydrophobicContact CD2-CG 4.1Å; L169-Y233 HydrophobicContact CG-CD1 3.84Å; L169-Y233 HydrophobicContact CG-CE1 3.61Å
170A74.6Confident71.6Confident25 Ų2560.5 Ų60.521%0.20731%0.314CS..Hα-helixtrans-63.7-39.917900000112.6V121 V166 C167 Y168 S173 V174V121-A170 HydrophobicContact CG2-CB 3.77Å; V166-A170 PolarHBondContact O-N 3.42Å; C167-A170 WeakPolarHBondContact O-CB 3.32Å; C167-A170 PolarHBondContact O-N 3.11Å; Y168-A170 VanDerWaalsContact C-N 3.3Å; A170-S173 WeakPolarHBondContact O-CB 3.42Å; A170-S173 PolarHBondContact O-N 2.66Å; A170-V174 WeakPolarHBondContact O-CB 3.29Å; A170-V174 VanDerWaalsContact O-CG2 3.25Å; A170-V174 WeakPolarHBondContact O-CG2 3.42Å; A170-V174 PolarHBondContact O-N 3.42Å
171L76.9Confident72.2Confident116 Ų11657.4 Ų57.461%0.60729%0.294SS*.Hα-helixtrans-61.6-54.4-177.1176.771.7000112.5L169 S173 V174 L175L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.06Å; L171-S173 PolarHBondContact O-N 3.03Å; L171-V174 PolarHBondContact O-N 3.49Å; L171-L175 HydrophobicContact CD1-CD1 4.16Å; L171-L175 HydrophobicContact CD1-CG 4.3Å; L171-L175 HydrophobicContact CG-CD1 4.08Å; L171-L175 WeakPolarHBondContact O-CB 3.12Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.25Å
172P78.4Confident73.1Confident13 Ų1354.9 Ų54.98%0.08427%0.27CS..Hα-helixtrans-57.6-35.9175.2-2836.7000113.5Y168 L169 H176 V229 V260Y168-P172 WeakPolarHBondContact O-CD 3.14Å; L169-P172 WeakPolarHBondContact O-CD 3.36Å; P172-H176 VanDerWaalsContact O-CB 3.25Å; P172-H176 WeakPolarHBondContact O-CB 3.41Å; P172-H176 PolarHBondContact O-N 2.84Å; P172-V229 HydrophobicContact CB-CG2 3.75Å; P172-V260 HydrophobicContact CB-CG2 4.47Å; P172-V260 HydrophobicContact CG-CG2 3.44Å; P172-V260 VanDerWaalsContact CG-CG2 3.44Å
173S76.8Confident73.7Confident0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-68-44.8-178.8-51.90000112.1L169 A170 L171 R177 Y233L169-S173 WeakPolarHBondContact O-CB 2.99Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 2.96Å; A170-S173 WeakPolarHBondContact O-CB 3.42Å; A170-S173 PolarHBondContact O-N 2.66Å; L171-S173 PolarHBondContact O-N 3.03Å; S173-R177 WeakPolarHBondContact O-CG 3.42Å; S173-R177 PolarHBondContact O-N 2.9Å; S173-R177 PolarHBondContact O-NH1 2.93Å; S173-Y233 VanDerWaalsContact CB-OH 3.3Å; S173-Y233 WeakPolarHBondContact CB-OH 2.93Å; S173-Y233 PolarHBondContact OG-OH 2.98Å
174V77Confident74.1Confident15 Ų1546.9 Ų46.99%0.09125%0.245CC..Hα-helixtrans-65.2-47.4176.3170.40000109.8F114 A170 L171 H176 R177 L178F114-V174 HydrophobicContact CD2-CG1 4.02Å; F114-V174 HydrophobicContact CE2-CG1 3.93Å; A170-V174 WeakPolarHBondContact O-CB 3.29Å; A170-V174 VanDerWaalsContact O-CG2 3.25Å; A170-V174 WeakPolarHBondContact O-CG2 3.42Å; A170-V174 PolarHBondContact O-N 3.42Å; L171-V174 PolarHBondContact O-N 3.49Å; V174-H176 PolarHBondContact O-N 3.47Å; V174-R177 PolarHBondContact O-N 2.95Å; V174-L178 HydrophobicContact CG1-CD1 3.59Å; V174-L178 HydrophobicContact CG1-CG 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 VanDerWaalsContact O-CG 3.28Å; V174-L178 WeakPolarHBondContact O-CG 3.32Å; V174-L178 PolarHBondContact O-N 3.04Å
175L79Confident74.4Confident90 Ų9046.5 Ų46.547%0.47125%0.245SC..Hα-helixtrans-57.7-48.4176.5-71174.2000111.2L171 R177 L178 S179L171-L175 HydrophobicContact CD1-CD1 4.16Å; L171-L175 HydrophobicContact CD1-CG 4.3Å; L171-L175 HydrophobicContact CG-CD1 4.08Å; L171-L175 WeakPolarHBondContact O-CB 3.12Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.25Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 2.88Å; L175-L178 PolarHBondContact O-N 3.39Å; L175-S179 WeakPolarHBondContact O-CB 3.47Å; L175-S179 PolarHBondContact O-N 2.99Å; L175-S179 PolarHBondContact O-OG 2.97Å
176H79.4Confident74.7Confident22 Ų2248.6 Ų48.610%0.10225%0.252CS..Hα-helixtrans-58.1-42.2177.2-17971.1000112.4P172 V174 N180 V225P172-H176 VanDerWaalsContact O-CB 3.25Å; P172-H176 WeakPolarHBondContact O-CB 3.41Å; P172-H176 PolarHBondContact O-N 2.84Å; V174-H176 PolarHBondContact O-N 3.47Å; H176-N180 PolarHBondContact CD2-ND2 2.87Å; H176-N180 PolarHBondContact CE1-ND2 3.49Å; H176-N180 VanDerWaalsContact CE1-ND2 3.33Å; H176-N180 PolarHBondContact NE2-ND2 3.44Å; H176-N180 VanDerWaalsContact NE2-ND2 3.16Å; H176-N180 PolarHBondContact O-N 3.45Å; H176-N180 PolarHBondContact O-ND2 2.67Å; H176-V225 HydrophobicContact CB-CG1 4.06Å
177R74.7Confident74.7Confident40 Ų4048.5 Ų48.515%0.15125%0.253CS..Hα-helixtrans-68.9-43.2178.1-78.8-175.3-86.4-78.720.5112.9S117 S173 V174 L175 N180 Y181S117-R177 VanDerWaalsContact O-CZ 3.24Å; S117-R177 PolarHBondContact O-NE 3.49Å; S117-R177 PolarHBondContact O-NH2 3.24Å; S117-R177 VanDerWaalsContact OG-CB 3.26Å; S117-R177 WeakPolarHBondContact OG-CB 3.34Å; S173-R177 WeakPolarHBondContact O-CG 3.42Å; S173-R177 PolarHBondContact O-N 2.9Å; S173-R177 PolarHBondContact O-NH1 2.93Å; V174-R177 PolarHBondContact O-N 2.95Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 2.88Å; R177-N180 PolarHBondContact O-N 2.75Å; R177-Y181 PolarHBondContact O-N 3.43Å
178L76.7Confident74.8Confident15 Ų1544.8 Ų44.88%0.07923%0.226CC..Hα-helixtrans-62.8-44.1175.8-70.5168.8000111.4F110 T113 F114 V174 L175 N180 Y181 L182F110-L178 HydrophobicContact CD2-CD2 4.48Å; F110-L178 HydrophobicContact CE2-CD2 3.99Å; F110-L178 HydrophobicContact CZ-CD2 4.18Å; T113-L178 HydrophobicContact CG2-CD2 4.03Å; F114-L178 HydrophobicContact CB-CD2 4.21Å; F114-L178 HydrophobicContact CD2-CD1 3.76Å; F114-L178 HydrophobicContact CE2-CD1 4.38Å; V174-L178 HydrophobicContact CG1-CD1 3.59Å; V174-L178 HydrophobicContact CG1-CG 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 VanDerWaalsContact O-CG 3.28Å; V174-L178 WeakPolarHBondContact O-CG 3.32Å; V174-L178 PolarHBondContact O-N 3.04Å; L175-L178 PolarHBondContact O-N 3.39Å; L178-N180 VanDerWaalsContact C-N 3.31Å; L178-N180 PolarHBondContact O-N 3.27Å; L178-Y181 WeakPolarHBondContact O-CB 3.19Å; L178-Y181 PolarHBondContact O-N 3.33Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 2.86Å
179S75.3Confident74.7Confident43 Ų4343.8 Ų43.830%0.30122%0.224SC..Hα-helixtrans-61.3-41.5175.9-60.90000111.3L175 Y181 L182 M183 L222L175-S179 WeakPolarHBondContact O-CB 3.47Å; L175-S179 PolarHBondContact O-N 2.99Å; L175-S179 PolarHBondContact O-OG 2.97Å; S179-Y181 VanDerWaalsContact C-N 3.32Å; S179-Y181 PolarHBondContact O-N 3.1Å; S179-L182 PolarHBondContact O-N 2.9Å; S179-M183 VanDerWaalsContact O-CB 3.31Å; S179-M183 WeakPolarHBondContact O-CB 3.45Å; S179-M183 VanDerWaalsContact O-CG 3.22Å; S179-M183 WeakPolarHBondContact O-CG 3.15Å; S179-M183 PolarHBondContact O-N 3.46Å; S179-L222 VanDerWaalsContact CB-CD2 3.49Å
180N75Confident74.2Confident31 Ų3146.4 Ų46.417%0.16624%0.243CC..Hα-helixtrans-61.4-43.1175.4-85.5-69.8000111.2H176 R177 L178 F184 L222H176-N180 PolarHBondContact CD2-ND2 2.87Å; H176-N180 PolarHBondContact CE1-ND2 3.49Å; H176-N180 VanDerWaalsContact CE1-ND2 3.33Å; H176-N180 PolarHBondContact NE2-ND2 3.44Å; H176-N180 VanDerWaalsContact NE2-ND2 3.16Å; H176-N180 PolarHBondContact O-N 3.45Å; H176-N180 PolarHBondContact O-ND2 2.67Å; R177-N180 PolarHBondContact O-N 2.75Å; L178-N180 VanDerWaalsContact C-N 3.31Å; L178-N180 PolarHBondContact O-N 3.27Å; N180-F184 WeakPolarHBondContact O-CB 3.47Å; N180-F184 PolarHBondContact O-N 3Å; N180-L222 HydrophobicContact CB-CD1 3.99Å; N180-L222 VanDerWaalsContact CG-CD1 3.44Å; N180-L222 WeakPolarHBondContact OD1-CD1 3.42Å
181Y72.8Confident73.9Confident45 Ų4547.4 Ų47.418%0.17624%0.244CC..Hα-helixtrans-62.5-46.7177.3177.5-101.5000112.4L100 S104 A109 T113 R177 L178 S179 F184 N185L100-Y181 HydrophobicContact CD1-CE2 4.22Å; S104-Y181 PolarHBondContact O-OH 3.47Å; A109-Y181 WeakPolarHBondContact CB-OH 3.32Å; T113-Y181 HydrophobicContact CG2-CD1 4.26Å; T113-Y181 HydrophobicContact CG2-CD2 4.2Å; T113-Y181 HydrophobicContact CG2-CG 3.86Å; R177-Y181 PolarHBondContact O-N 3.43Å; L178-Y181 WeakPolarHBondContact O-CB 3.19Å; L178-Y181 PolarHBondContact O-N 3.33Å; S179-Y181 VanDerWaalsContact C-N 3.32Å; S179-Y181 PolarHBondContact O-N 3.1Å; Y181-F184 PolarHBondContact O-N 2.98Å; Y181-N185 WeakPolarHBondContact CE1-ND2 3.38Å; Y181-N185 WeakPolarHBondContact CE2-ND2 2.98Å; Y181-N185 WeakPolarHBondContact O-CB 3.48Å; Y181-N185 PolarHBondContact O-N 3.33Å; Y181-N185 PolarHBondContact O-ND2 3.1Å; Y181-N185 PolarHBondContact OH-ND2 2.99Å
182L77.2Confident73.4Confident77 Ų7744.7 Ų44.740%0.40324%0.238SC..Hα-helixtrans-63.3-49178-68.7173.8000111.2F110 L178 S179 F184 N185 E186F110-L182 HydrophobicContact CE2-CD2 4.44Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 2.86Å; S179-L182 PolarHBondContact O-N 2.9Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-F184 PolarHBondContact O-N 3.17Å; L182-N185 PolarHBondContact O-N 2.99Å; L182-E186 WeakPolarHBondContact O-CG 3.44Å; L182-E186 PolarHBondContact O-N 3.23Å
183M73Confident72.8Confident70 Ų7050.5 Ų50.535%0.34527%0.266SS..Hα-helixtrans-63.8-38.9179.3-69.3-62.699.900112.2S179 E186 A187 A218 L222S179-M183 VanDerWaalsContact O-CB 3.31Å; S179-M183 WeakPolarHBondContact O-CB 3.45Å; S179-M183 VanDerWaalsContact O-CG 3.22Å; S179-M183 WeakPolarHBondContact O-CG 3.15Å; S179-M183 PolarHBondContact O-N 3.46Å; M183-E186 PolarHBondContact O-N 2.78Å; M183-A187 WeakPolarHBondContact O-CB 3.4Å; M183-A187 PolarHBondContact O-N 3.33Å; M183-A218 HydrophobicContact CB-CB 3.71Å; M183-L222 HydrophobicContact CB-CD1 4.48Å; M183-L222 HydrophobicContact CG-CD1 4.16Å
184F72.7Confident72.2Confident36 Ų3657 Ų5716%0.15830%0.299CS..Hα-helixtrans-62.1-44.9174.9178-100000111.5N180 Y181 L182 A187 L188 S214 N215N180-F184 WeakPolarHBondContact O-CB 3.47Å; N180-F184 PolarHBondContact O-N 3Å; Y181-F184 PolarHBondContact O-N 2.98Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-F184 PolarHBondContact O-N 3.17Å; F184-A187 PolarHBondContact O-N 2.78Å; F184-L188 HydrophobicContact CE1-CD2 4.07Å; F184-L188 HydrophobicContact CZ-CD2 4.36Å; F184-L188 WeakPolarHBondContact O-CB 3.37Å; F184-L188 PolarHBondContact O-N 3.44Å; F184-S214 WeakPolarHBondContact CD2-OG 3.2Å; F184-S214 VanDerWaalsContact CE2-OG 3.27Å; F184-S214 WeakPolarHBondContact CE2-OG 3.46Å; F184-N215 HydrophobicContact CD2-CB 4.08Å; F184-N215 HydrophobicContact CE2-CB 4.19Å
185N71.5Confident71.4Confident28 Ų2860.1 Ų60.115%0.1531%0.31CS..Hα-helixtrans-66.8-39.8178.9-76.2-28.4000112.9Y181 L182 F189Y181-N185 WeakPolarHBondContact CE1-ND2 3.38Å; Y181-N185 WeakPolarHBondContact CE2-ND2 2.98Å; Y181-N185 WeakPolarHBondContact O-CB 3.48Å; Y181-N185 PolarHBondContact O-N 3.33Å; Y181-N185 PolarHBondContact O-ND2 3.1Å; Y181-N185 PolarHBondContact OH-ND2 2.99Å; L182-N185 PolarHBondContact O-N 2.99Å; N185-F189 WeakPolarHBondContact O-CB 3.48Å; N185-F189 PolarHBondContact O-N 3.45Å
186E71.2Confident70.5Confident114 Ų11466.4 Ų66.453%0.53333%0.327SS..Hα-helixtrans-67-44.8175.2-72.5-57.9150.200111.5L182 M183 L188 F189 S190L182-E186 WeakPolarHBondContact O-CG 3.44Å; L182-E186 PolarHBondContact O-N 3.23Å; M183-E186 PolarHBondContact O-N 2.78Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.16Å; E186-F189 WeakPolarHBondContact O-CB 3.29Å; E186-F189 PolarHBondContact O-N 3.24Å; E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 2.91Å
187A69.8Low69.3Low11 Ų1176 Ų769%0.09136%0.364CS..Hα-helixtrans-66.9-37.517800000111.7M183 F184 F189 S190 H191 S214M183-A187 WeakPolarHBondContact O-CB 3.4Å; M183-A187 PolarHBondContact O-N 3.33Å; F184-A187 PolarHBondContact O-N 2.78Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-S190 PolarHBondContact O-N 3.21Å; A187-H191 WeakPolarHBondContact O-CB 3.21Å; A187-H191 PolarHBondContact O-CD2 2.92Å; A187-H191 PolarHBondContact O-N 2.86Å; A187-S214 VanDerWaalsContact CB-CB 3.44Å
188L69.5Low68.3Low25 Ų2583.5 Ų83.513%0.13139%0.392CS..Hα-helixtrans-65.5-38.6172.9-170.764.3000111.6V102 F184 E186 H191 A192V102-L188 HydrophobicContact CB-CD2 4.43Å; V102-L188 HydrophobicContact CG1-CD2 3.51Å; V102-L188 HydrophobicContact CG1-CG 4.48Å; V102-L188 HydrophobicContact CG2-CD2 4.22Å; F184-L188 HydrophobicContact CE1-CD2 4.07Å; F184-L188 HydrophobicContact CZ-CD2 4.36Å; F184-L188 WeakPolarHBondContact O-CB 3.37Å; F184-L188 PolarHBondContact O-N 3.44Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.16Å; L188-H191 PolarHBondContact O-N 3.03Å; L188-A192 WeakPolarHBondContact O-CB 3.12Å; L188-A192 PolarHBondContact O-N 3.27Å
189F70.7Confident67.1Low94 Ų9486.9 Ų86.941%0.41242%0.417SS..Hα-helixtrans-62.5-48.1174.3-170.3-121.5000112.4R105 N185 E186 A187 H191 A192 M193R105-F189 VanDerWaalsContact NH1-CD2 3.34Å; N185-F189 WeakPolarHBondContact O-CB 3.48Å; N185-F189 PolarHBondContact O-N 3.45Å; E186-F189 WeakPolarHBondContact O-CB 3.29Å; E186-F189 PolarHBondContact O-N 3.24Å; A187-F189 VanDerWaalsContact C-N 3.35Å; F189-H191 VanDerWaalsContact C-N 3.29Å; F189-H191 PolarHBondContact O-N 3.31Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.18Å; F189-A192 VanDerWaalsContact O-N 3.1Å; F189-M193 PolarHBondContact O-N 2.85Å
190S66.7Low65.9Low65 Ų6593.9 Ų93.946%0.45544%0.442SS..Hα-helixtrans-58.9-44.9178.4-174.60000110.5E186 A187 A192 M193 L194E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 2.91Å; A187-S190 PolarHBondContact O-N 3.21Å; S190-A192 PolarHBondContact O-N 3.01Å; S190-M193 PolarHBondContact O-N 3.13Å; S190-L194 WeakPolarHBondContact O-CG 3.39Å; S190-L194 PolarHBondContact O-N 3.18Å; S190-L194 VanDerWaalsContact O-N 3.08Å
191H67.3Low64.6Low46 Ų46100.2 Ų100.221%0.21347%0.469CS..Hα-helixtrans-64.9-36.4174.1-80.7-58.1000113.5A187 L188 F189 R195 T210 T213A187-H191 WeakPolarHBondContact O-CB 3.21Å; A187-H191 PolarHBondContact O-CD2 2.92Å; A187-H191 PolarHBondContact O-N 2.86Å; L188-H191 PolarHBondContact O-N 3.03Å; F189-H191 VanDerWaalsContact C-N 3.29Å; F189-H191 PolarHBondContact O-N 3.31Å; H191-R195 VanDerWaalsContact O-CG 3.29Å; H191-R195 WeakPolarHBondContact O-CG 3.48Å; H191-R195 PolarHBondContact O-N 2.71Å; H191-T210 HydrophobicContact CB-CG2 3.7Å; H191-T213 PolarHBondContact CE1-OG1 3.29Å; H191-T213 VanDerWaalsContact CE1-OG1 3.3Å; H191-T213 PolarHBondContact NE2-OG1 3.43Å
192A67.6Low63.6Low58 Ų58100.7 Ų100.748%0.47947%0.474SS..Hα-helixtrans-67-36.5174.500000112.2L188 F189 S190 R195L188-A192 WeakPolarHBondContact O-CB 3.12Å; L188-A192 PolarHBondContact O-N 3.27Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.18Å; F189-A192 VanDerWaalsContact O-N 3.1Å; S190-A192 PolarHBondContact O-N 3.01Å; A192-R195 WeakPolarHBondContact O-CB 3.47Å; A192-R195 PolarHBondContact O-N 3.37Å
193M65.3Low62.6Low136 Ų136104.1 Ų104.167%0.6749%0.486SS*.Hα-helixtrans-66.9-41.2177.2-163-169.8-158.900111.7F189 S190 R195F189-M193 PolarHBondContact O-N 2.85Å; S190-M193 PolarHBondContact O-N 3.13Å; M193-R195 PolarHBondContact O-N 3.36Å
194L63.7Low62Low136 Ų136107 Ų10771%0.71250%0.497SS*.Hα-helixtrans-67.6-15.5177.4-69.9169.3000113.6S190S190-L194 WeakPolarHBondContact O-CG 3.39Å; S190-L194 PolarHBondContact O-N 3.18Å; S190-L194 VanDerWaalsContact O-N 3.08Å
195R61Low61.6Low81 Ų81107.3 Ų107.331%0.30650%0.498SS..THydrogen-bonded Turntrans-85.4-2.9-176.4-84.1172.7173.8-152.85.7116.1H191 A192 M193 Y197 R198 P206 T210H191-R195 VanDerWaalsContact O-CG 3.29Å; H191-R195 WeakPolarHBondContact O-CG 3.48Å; H191-R195 PolarHBondContact O-N 2.71Å; A192-R195 WeakPolarHBondContact O-CB 3.47Å; A192-R195 PolarHBondContact O-N 3.37Å; M193-R195 PolarHBondContact O-N 3.36Å; R195-Y197 PolarHBondContact O-N 2.98Å; R195-R198 PolarHBondContact O-N 3.44Å; R195-P206 PolarHBondContact NH2-O 3.15Å; R195-T210 VanDerWaalsContact NH2-CG2 3.3Å; R195-T210 PolarHBondContact NH2-OG1 3.39Å
196R59.4Low61.4Low221 Ų221107 Ų10783%0.83450%0.498SS*.THydrogen-bonded Turntrans-61.6-0.4-169.9-143.8170.1-176.5167.2-0.4115.3
197Y53.8Low61.1Low224 Ų224105.1 Ų105.188%0.87849%0.489SS*.THydrogen-bonded Turntrans-129.820.6-173-79.6-81.8000116.2R195R195-Y197 PolarHBondContact O-N 2.98Å
198R55Low61.1Low197 Ų197104.9 Ų104.974%0.74349%0.486SS*.  trans-116.9151-175.1-107.5-172.8158.7123.30.8116.2R195 D202R195-R198 PolarHBondContact O-N 3.44Å; R198-D202 HydrophobicContact CB-CB 3.96Å; R198-D202 WeakPolarHBondContact CB-OD2 3.36Å; R198-D202 WeakPolarHBondContact CD-OD2 3.02Å; R198-D202 HydrophobicContact CG-CB 4.34Å; R198-D202 WeakPolarHBondContact CG-OD2 3.14Å; R198-D202 IonicContact NE-OD1 2.89Å; R198-D202 IonicContact NE-OD2 2.97Å
199S49.6Very low61.3Low87 Ų87107.5 Ų107.561%0.60850%0.497SS*.  trans-78.4167-162.6-174.50000114F201 D202S199-F201 PolarHBondContact O-N 3.4Å; S199-F201 VanDerWaalsContact O-N 3.07Å; S199-D202 PolarHBondContact N-OD2 3.01Å; S199-D202 WeakPolarHBondContact O-CA 3.42Å; S199-D202 VanDerWaalsContact O-CB 3.23Å; S199-D202 WeakPolarHBondContact O-CB 3.44Å; S199-D202 PolarHBondContact O-N 3.43Å
200K50.9Low61.4Low189 Ų189103.5 Ų103.582%0.82248%0.48SS*.THydrogen-bonded Turntrans-59.9-22.2-171.6-75-179.6179.8175.60115.3
201F47.7Very low61.7Low164 Ų164100.8 Ų100.872%0.71946%0.461SS*.THydrogen-bonded Turntrans-82.9-12.6175.1-161.1-101.3000112.9S199 K203 L302S199-F201 PolarHBondContact O-N 3.4Å; S199-F201 VanDerWaalsContact O-N 3.07Å; F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.85Å; F201-L302 HydrophobicContact CZ-CD2 3.73Å
202D52.7Low62.1Low56 Ų5699 Ų9930%0.29945%0.453SS..SBendtrans-86.432.5176-63.4-58.4000112.8R198 S199 P206R198-D202 HydrophobicContact CB-CB 3.96Å; R198-D202 WeakPolarHBondContact CB-OD2 3.36Å; R198-D202 WeakPolarHBondContact CD-OD2 3.02Å; R198-D202 HydrophobicContact CG-CB 4.34Å; R198-D202 WeakPolarHBondContact CG-OD2 3.14Å; R198-D202 IonicContact NE-OD1 2.89Å; R198-D202 IonicContact NE-OD2 2.97Å; S199-D202 PolarHBondContact N-OD2 3.01Å; S199-D202 WeakPolarHBondContact O-CA 3.42Å; S199-D202 VanDerWaalsContact O-CB 3.23Å; S199-D202 WeakPolarHBondContact O-CB 3.44Å; S199-D202 PolarHBondContact O-N 3.43Å; D202-P206 VanDerWaalsContact C-CG 3.47Å; D202-P206 HydrophobicContact CB-CG 4.28Å; D202-P206 WeakPolarHBondContact O-CD 3.46Å; D202-P206 WeakPolarHBondContact O-CG 3.38Å
203K56.3Low62.6Low148 Ų14898 Ų9864%0.64344%0.441SS*.SBendtrans-94-52.5-179.7-75-172.5178-175.80113.2F201F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.85Å
204F59.5Low63.2Low132 Ų13291.5 Ų91.558%0.57941%0.409SS*.Hα-helixtrans-78.6-53.2-172.2-175.1-98.5000113.6I9 E207 V208I9-F204 HydrophobicContact CD1-CD2 4.37Å; I9-F204 HydrophobicContact CD1-CE2 3.4Å; I9-F204 VanDerWaalsContact CD1-CE2 3.4Å; I9-F204 HydrophobicContact CD1-CZ 3.86Å; I9-F204 HydrophobicContact CG1-CE2 4.16Å; F204-E207 PolarHBondContact O-N 3.42Å; F204-E207 VanDerWaalsContact O-N 3.16Å; F204-V208 HydrophobicContact CE1-CG2 4.42Å; F204-V208 HydrophobicContact CZ-CG2 4.5Å; F204-V208 PolarHBondContact O-N 3.3Å
205F63.7Low64Low42 Ų4285.9 Ų85.918%0.18438%0.38CS..Hα-helixtrans-63.3-44.2-174.7-173.8-100.3000114.3E207 F209 V294 H295 R298F205-E207 PolarHBondContact O-N 3.49Å; F205-F209 HydrophobicContact CE1-CB 4.37Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 PolarHBondContact O-N 3.3Å; F205-V294 HydrophobicContact CE2-CG1 4.06Å; F205-H295 AromaticContact CZ-CD2 3.7Å; F205-H295 AromaticContact CZ-CE1 3.62Å; F205-H295 AromaticContact CZ-NE2 3.36Å; F205-H295 WeakPolarHBondContact CZ-NE2 3.45Å; F205-R298 HydrophobicContact CD2-CG 4.33Å; F205-R298 VanDerWaalsContact CE1-NH1 3.25Å
206P66.9Low65.1Low22 Ų2284.7 Ų84.714%0.14338%0.379CS..Hα-helixtrans-66.9-29.8178.826.2-30.4000110R195 D202 F209 T210R195-P206 PolarHBondContact NH2-O 3.15Å; D202-P206 VanDerWaalsContact C-CG 3.47Å; D202-P206 HydrophobicContact CB-CG 4.28Å; D202-P206 WeakPolarHBondContact O-CD 3.46Å; D202-P206 WeakPolarHBondContact O-CG 3.38Å; P206-F209 CarbonylContact O-C 3.55Å; P206-F209 PolarHBondContact O-N 2.99Å; P206-T210 WeakPolarHBondContact O-CB 3.41Å; P206-T210 VanDerWaalsContact O-CG2 3.25Å; P206-T210 WeakPolarHBondContact O-CG2 3.41Å; P206-T210 PolarHBondContact O-N 3.33Å; P206-T210 PolarHBondContact O-OG1 3.07Å
207E66.9Low66.4Low74 Ų7478.6 Ų78.635%0.34636%0.363SS..Hα-helixtrans-61.3-50.7-177.3-170171.3-170.500111.8V7 F204 F205 F209 T210 A211V7-E207 HydrophobicContact CG1-CG 4.18Å; F204-E207 PolarHBondContact O-N 3.42Å; F204-E207 VanDerWaalsContact O-N 3.16Å; F205-E207 PolarHBondContact O-N 3.49Å; E207-F209 VanDerWaalsContact C-N 3.35Å; E207-F209 PolarHBondContact O-N 2.95Å; E207-T210 PolarHBondContact O-N 3.36Å; E207-T210 PolarHBondContact O-OG1 3.46Å; E207-A211 VanDerWaalsContact O-CB 3.3Å; E207-A211 WeakPolarHBondContact O-CB 3.19Å; E207-A211 PolarHBondContact O-N 3.02Å
208V68.9Low67.8Low6 Ų668 Ų684%0.03632%0.321CS..Hα-helixtrans-56.8-51.8171.8-179.10000109.6V7 F204 T210 A211 F212 V294V7-V208 HydrophobicContact CG1-CG2 4.01Å; F204-V208 HydrophobicContact CE1-CG2 4.42Å; F204-V208 HydrophobicContact CZ-CG2 4.5Å; F204-V208 PolarHBondContact O-N 3.3Å; V208-T210 PolarHBondContact O-N 2.72Å; V208-A211 PolarHBondContact O-N 3.21Å; V208-F212 HydrophobicContact CG1-CD2 3.55Å; V208-F212 HydrophobicContact CG1-CE2 3.37Å; V208-F212 WeakPolarHBondContact O-CD2 3.28Å; V208-F212 PolarHBondContact O-N 3.24Å; V208-V294 HydrophobicContact CG1-CG1 3.77Å; V208-V294 HydrophobicContact CG1-CG2 4.11Å
209F73.4Confident69.3Low79 Ų7959.6 Ų59.635%0.34629%0.291SS..Hα-helixtrans-59-45.8-178.7-176.6-99.5000113.4F205 P206 E207 F212 T213 L291F205-F209 HydrophobicContact CE1-CB 4.37Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 PolarHBondContact O-N 3.3Å; P206-F209 CarbonylContact O-C 3.55Å; P206-F209 PolarHBondContact O-N 2.99Å; E207-F209 VanDerWaalsContact C-N 3.35Å; E207-F209 PolarHBondContact O-N 2.95Å; F209-F212 WeakPolarHBondContact O-CB 3.43Å; F209-F212 PolarHBondContact O-N 3.41Å; F209-T213 HydrophobicContact CD1-CG2 4.14Å; F209-T213 HydrophobicContact CE1-CG2 3.69Å; F209-T213 HydrophobicContact CE2-CG2 4.19Å; F209-T213 HydrophobicContact CZ-CG2 3.72Å; F209-T213 WeakPolarHBondContact O-CG2 3.45Å; F209-T213 PolarHBondContact O-N 3.03Å; F209-T213 PolarHBondContact O-OG1 3.18Å; F209-L291 HydrophobicContact CD2-CD1 3.8Å; F209-L291 HydrophobicContact CE2-CD1 4.06Å; F209-L291 HydrophobicContact CE2-CD2 4.4Å
210T72.5Confident71.2Confident10 Ų1056.6 Ų56.66%0.06127%0.271CS..Hα-helixtrans-68.8-35.7-179.652.10000111.8H191 R195 P206 E207 V208 F212 T213 S214H191-T210 HydrophobicContact CB-CG2 3.7Å; R195-T210 VanDerWaalsContact NH2-CG2 3.3Å; R195-T210 PolarHBondContact NH2-OG1 3.39Å; P206-T210 WeakPolarHBondContact O-CB 3.41Å; P206-T210 VanDerWaalsContact O-CG2 3.25Å; P206-T210 WeakPolarHBondContact O-CG2 3.41Å; P206-T210 PolarHBondContact O-N 3.33Å; P206-T210 PolarHBondContact O-OG1 3.07Å; E207-T210 PolarHBondContact O-N 3.36Å; E207-T210 PolarHBondContact O-OG1 3.46Å; V208-T210 PolarHBondContact O-N 2.72Å; T210-F212 VanDerWaalsContact C-N 3.32Å; T210-T213 WeakPolarHBondContact CA-OG1 3.22Å; T210-T213 PolarHBondContact O-OG1 2.99Å; T210-S214 WeakPolarHBondContact O-CB 3.25Å; T210-S214 PolarHBondContact O-N 3.16Å; T210-S214 PolarHBondContact O-OG 3.14Å
211A73.6Confident73.1Confident8 Ų852 Ų527%0.06626%0.255CS..Hα-helixtrans-67-37.2173.200000111V7 E207 V208 S214 N215V7-A211 HydrophobicContact CG2-CB 4.28Å; E207-A211 VanDerWaalsContact O-CB 3.3Å; E207-A211 WeakPolarHBondContact O-CB 3.19Å; E207-A211 PolarHBondContact O-N 3.02Å; V208-A211 PolarHBondContact O-N 3.21Å; A211-S214 WeakPolarHBondContact CA-OG 3.17Å; A211-S214 PolarHBondContact O-OG 3.46Å; A211-N215 WeakPolarHBondContact O-CB 2.99Å; A211-N215 PolarHBondContact O-N 3.34Å
212F76.5Confident75Confident8 Ų844.9 Ų44.94%0.03522%0.224CC..Hα-helixtrans-66.1-48.3173.7-87.1-69.9000112.2V2 F4 V208 F209 T210 N215 L216 Y287 H290 V294V2-F212 HydrophobicContact CB-CD1 4.31Å; V2-F212 HydrophobicContact CB-CE1 3.93Å; V2-F212 HydrophobicContact CG1-CD1 4.01Å; V2-F212 HydrophobicContact CG1-CE1 3.71Å; V2-F212 HydrophobicContact CG1-CE2 4.49Å; V2-F212 HydrophobicContact CG1-CZ 3.96Å; V2-F212 HydrophobicContact CG2-CD1 3.74Å; V2-F212 HydrophobicContact CG2-CE1 3.78Å; F4-F212 HydrophobicContact CE1-CE2 4.44Å; F4-F212 HydrophobicContact CE2-CE2 4.46Å; F4-F212 AromaticContact CE2-CZ 3.75Å; F4-F212 HydrophobicContact CE2-CZ 3.75Å; F4-F212 AromaticContact CZ-CE2 3.92Å; F4-F212 HydrophobicContact CZ-CE2 3.92Å; F4-F212 AromaticContact CZ-CZ 3.63Å; F4-F212 HydrophobicContact CZ-CZ 3.63Å; V208-F212 HydrophobicContact CG1-CD2 3.55Å; V208-F212 HydrophobicContact CG1-CE2 3.37Å; V208-F212 WeakPolarHBondContact O-CD2 3.28Å; V208-F212 PolarHBondContact O-N 3.24Å; F209-F212 WeakPolarHBondContact O-CB 3.43Å; F209-F212 PolarHBondContact O-N 3.41Å; T210-F212 VanDerWaalsContact C-N 3.32Å; F212-N215 PolarHBondContact O-N 2.81Å; F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.39Å; F212-L216 PolarHBondContact O-N 3.4Å; F212-Y287 HydrophobicContact CD1-CD1 4.05Å; F212-Y287 HydrophobicContact CD1-CE1 4.13Å; F212-H290 HydrophobicContact CE1-CB 3.8Å; F212-H290 AromaticContact CE1-ND1 3.85Å; F212-H290 HydrophobicContact CZ-CB 4.17Å; F212-V294 HydrophobicContact CE2-CG2 3.88Å; F212-V294 HydrophobicContact CZ-CG2 4.34Å
213T78Confident76.9Confident38 Ų3842.5 Ų42.523%0.23321%0.211CC..Hα-helixtrans-67.7-39.3-179.453.50000111.7H191 F209 T210 L216 L217H191-T213 PolarHBondContact CE1-OG1 3.29Å; H191-T213 VanDerWaalsContact CE1-OG1 3.3Å; H191-T213 PolarHBondContact NE2-OG1 3.43Å; F209-T213 HydrophobicContact CD1-CG2 4.14Å; F209-T213 HydrophobicContact CE1-CG2 3.69Å; F209-T213 HydrophobicContact CE2-CG2 4.19Å; F209-T213 HydrophobicContact CZ-CG2 3.72Å; F209-T213 WeakPolarHBondContact O-CG2 3.45Å; F209-T213 PolarHBondContact O-N 3.03Å; F209-T213 PolarHBondContact O-OG1 3.18Å; T210-T213 WeakPolarHBondContact CA-OG1 3.22Å; T210-T213 PolarHBondContact O-OG1 2.99Å; T213-L216 PolarHBondContact O-N 3.47Å; T213-L217 VanDerWaalsContact O-CB 3.29Å; T213-L217 WeakPolarHBondContact O-CB 2.94Å; T213-L217 PolarHBondContact O-N 2.89Å
214S78.1Confident78.6Confident0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-63.2-45.5175.566.30000111.4F184 A187 T210 A211 L217 A218F184-S214 WeakPolarHBondContact CD2-OG 3.2Å; F184-S214 VanDerWaalsContact CE2-OG 3.27Å; F184-S214 WeakPolarHBondContact CE2-OG 3.46Å; A187-S214 VanDerWaalsContact CB-CB 3.44Å; T210-S214 WeakPolarHBondContact O-CB 3.25Å; T210-S214 PolarHBondContact O-N 3.16Å; T210-S214 PolarHBondContact O-OG 3.14Å; A211-S214 WeakPolarHBondContact CA-OG 3.17Å; A211-S214 PolarHBondContact O-OG 3.46Å; S214-L217 PolarHBondContact O-N 3.25Å; S214-A218 WeakPolarHBondContact O-CB 3.34Å; S214-A218 PolarHBondContact O-N 3.18Å
215N80.1Confident80.1Confident18 Ų1833.6 Ų33.610%0.09618%0.18CC..Hα-helixtrans-70.1-36.6179.8-163.767.8000112.2V2 F184 A211 F212 E219 Y287V2-N215 HydrophobicContact CG2-CB 3.91Å; V2-N215 VanDerWaalsContact CG2-ND2 3.26Å; V2-N215 WeakPolarHBondContact CG2-ND2 3.45Å; F184-N215 HydrophobicContact CD2-CB 4.08Å; F184-N215 HydrophobicContact CE2-CB 4.19Å; A211-N215 WeakPolarHBondContact O-CB 2.99Å; A211-N215 PolarHBondContact O-N 3.34Å; F212-N215 PolarHBondContact O-N 2.81Å; N215-E219 PolarHBondContact ND2-OE1 3.34Å; N215-E219 WeakPolarHBondContact O-CB 3.37Å; N215-E219 WeakPolarHBondContact O-CG 3.24Å; N215-E219 PolarHBondContact O-N 3.46Å; N215-Y287 PolarHBondContact ND2-OH 2.81Å
216L84.6Confident81.2Confident55 Ų5531.7 Ų31.729%0.28817%0.172SC..Hα-helixtrans-62.6-45.1173.2179.459.4000111.2F212 T213 E219 A220 L283 Y287F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.39Å; F212-L216 PolarHBondContact O-N 3.4Å; T213-L216 PolarHBondContact O-N 3.47Å; L216-E219 PolarHBondContact O-N 2.87Å; L216-A220 VanDerWaalsContact O-CB 3.25Å; L216-A220 WeakPolarHBondContact O-CB 3.39Å; L216-A220 PolarHBondContact O-N 3.39Å; L216-L283 HydrophobicContact CD1-CG 4.32Å; L216-Y287 HydrophobicContact CB-CD1 3.77Å; L216-Y287 HydrophobicContact CB-CE1 3.64Å; L216-Y287 HydrophobicContact CB-CG 4.43Å; L216-Y287 HydrophobicContact CD1-CD1 4.07Å; L216-Y287 HydrophobicContact CD1-CD2 3.93Å; L216-Y287 HydrophobicContact CD1-CE1 4.29Å; L216-Y287 HydrophobicContact CD1-CE2 4.18Å; L216-Y287 HydrophobicContact CD1-CG 3.85Å; L216-Y287 HydrophobicContact CD2-CD1 4.36Å; L216-Y287 HydrophobicContact CD2-CG 4.49Å; L216-Y287 HydrophobicContact CG-CD1 4.28Å; L216-Y287 HydrophobicContact CG-CE1 4.49Å; L216-Y287 HydrophobicContact CG-CG 4.48Å
217L85Confident82.4Confident93 Ų9330.6 Ų30.649%0.48717%0.165SC..Hα-helixtrans-63.7-45.4178.9-178.561000111.1T213 S214 A220 I221T213-L217 VanDerWaalsContact O-CB 3.29Å; T213-L217 WeakPolarHBondContact O-CB 2.94Å; T213-L217 PolarHBondContact O-N 2.89Å; S214-L217 PolarHBondContact O-N 3.25Å; L217-A220 PolarHBondContact O-N 3.3Å; L217-I221 HydrophobicContact CD1-CD1 3.98Å; L217-I221 HydrophobicContact CD1-CG1 4.31Å; L217-I221 HydrophobicContact CG-CD1 3.97Å; L217-I221 WeakPolarHBondContact O-CG1 3.39Å; L217-I221 PolarHBondContact O-N 2.97Å
218A84.7Confident83.6Confident1 Ų127.4 Ų27.41%0.00815%0.15CC..Hα-helixtrans-59.4-48.2174.900000111.6M183 S214 A220 I221 L222M183-A218 HydrophobicContact CB-CB 3.71Å; S214-A218 WeakPolarHBondContact O-CB 3.34Å; S214-A218 PolarHBondContact O-N 3.18Å; A218-A220 VanDerWaalsContact C-N 3.3Å; A218-A220 PolarHBondContact O-N 3.26Å; A218-I221 PolarHBondContact O-N 3.02Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CG 3.11Å; A218-L222 PolarHBondContact O-N 3.41Å
219E85.4Confident84.4Confident22 Ų2227.2 Ų27.210%0.10315%0.149CC..Hα-helixtrans-64.7-32.3177.4-76.8-169.1-154.600112.5M1 R34 N215 L216 Y223 L283 Y287M1-E219 PolarHBondContact N-OE1 3.1Å; R34-E219 IonicContact NH1-OE2 3.68Å; R34-E219 PolarHBondContact NH1-OE2 2.97Å; N215-E219 PolarHBondContact ND2-OE1 3.34Å; N215-E219 WeakPolarHBondContact O-CB 3.37Å; N215-E219 WeakPolarHBondContact O-CG 3.24Å; N215-E219 PolarHBondContact O-N 3.46Å; L216-E219 PolarHBondContact O-N 2.87Å; E219-Y223 WeakPolarHBondContact O-CA 3.49Å; E219-Y223 WeakPolarHBondContact O-CB 3.31Å; E219-Y223 PolarHBondContact O-N 3.03Å; E219-L283 HydrophobicContact CB-CD2 4.24Å; E219-L283 WeakPolarHBondContact OE2-CD1 3.3Å; E219-Y287 VanDerWaalsContact CD-OH 3.26Å; E219-Y287 PolarHBondContact OE1-OH 2.9Å; E219-Y287 VanDerWaalsContact OE1-OH 3.11Å
220A89.9Confident85Confident24 Ų2424.6 Ų24.620%0.19814%0.137CC..Hα-helixtrans-72.2-42.4177.900000112.6L216 L217 A218 Y223 F280L216-A220 VanDerWaalsContact O-CB 3.25Å; L216-A220 WeakPolarHBondContact O-CB 3.39Å; L216-A220 PolarHBondContact O-N 3.39Å; L217-A220 PolarHBondContact O-N 3.3Å; A218-A220 VanDerWaalsContact C-N 3.3Å; A218-A220 PolarHBondContact O-N 3.26Å; A220-Y223 WeakPolarHBondContact O-CB 3.46Å; A220-Y223 PolarHBondContact O-N 3.25Å; A220-F280 HydrophobicContact CB-CE2 3.95Å; A220-F280 HydrophobicContact CB-CZ 4.03Å
221I89.9Confident85.8Confident92 Ų9224.2 Ų24.247%0.47214%0.135SC..Hα-helixtrans-66.1-42.3175.9-67.8169000110.1L217 A218 Y223 P224L217-I221 HydrophobicContact CD1-CD1 3.98Å; L217-I221 HydrophobicContact CD1-CG1 4.31Å; L217-I221 HydrophobicContact CG-CD1 3.97Å; L217-I221 WeakPolarHBondContact O-CG1 3.39Å; L217-I221 PolarHBondContact O-N 2.97Å; A218-I221 PolarHBondContact O-N 3.02Å; I221-Y223 VanDerWaalsContact C-N 3.29Å; I221-Y223 PolarHBondContact O-N 3.37Å; I221-P224 WeakPolarHBondContact O-CD 3.31Å
222L89.1Confident86.4Confident14 Ų1424 Ų247%0.07313%0.133CC..THydrogen-bonded Turntrans-89.25.6-177-64.8167.2000113.9S179 N180 M183 A218 V225 G226S179-L222 VanDerWaalsContact CB-CD2 3.49Å; N180-L222 HydrophobicContact CB-CD1 3.99Å; N180-L222 VanDerWaalsContact CG-CD1 3.44Å; N180-L222 WeakPolarHBondContact OD1-CD1 3.42Å; M183-L222 HydrophobicContact CB-CD1 4.48Å; M183-L222 HydrophobicContact CG-CD1 4.16Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CG 3.11Å; A218-L222 PolarHBondContact O-N 3.41Å; L222-V225 PolarHBondContact O-N 3.24Å; L222-G226 PolarHBondContact O-N 3.23Å
223Y91.3Very high86.6Confident7 Ų723.8 Ų23.83%0.02713%0.131CC..Hα-helixtrans-57.5-46.5-179.3-159.6-87.2000112.9R34 Q38 E219 A220 I221 V225 G226 T227 F276 Y277 K278 G279 F280 L283R34-Y223 HydrophobicContact CG-CE2 4.49Å; R34-Y223 WeakPolarHBondContact CG-OH 2.82Å; Q38-Y223 HydrophobicContact CG-CE1 4.38Å; Q38-Y223 PolarHBondContact NE2-OH 3.42Å; E219-Y223 WeakPolarHBondContact O-CA 3.49Å; E219-Y223 WeakPolarHBondContact O-CB 3.31Å; E219-Y223 PolarHBondContact O-N 3.03Å; A220-Y223 WeakPolarHBondContact O-CB 3.46Å; A220-Y223 PolarHBondContact O-N 3.25Å; I221-Y223 VanDerWaalsContact C-N 3.29Å; I221-Y223 PolarHBondContact O-N 3.37Å; Y223-V225 PolarHBondContact O-N 2.85Å; Y223-G226 PolarHBondContact O-N 2.84Å; Y223-T227 PolarHBondContact O-N 3.25Å; Y223-T227 PolarHBondContact O-OG1 2.85Å; Y223-F276 WeakPolarHBondContact CD1-O 3.33Å; Y223-F276 WeakPolarHBondContact CE1-O 3.32Å; Y223-Y277 AromaticContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CE1 4.46Å; Y223-Y277 HydrophobicContact CD1-CG 4.38Å; Y223-Y277 HydrophobicContact CG-CD1 4.24Å; Y223-K278 WeakPolarHBondContact CE1-O 3.41Å; Y223-K278 PolarHBondContact OH-O 3.49Å; Y223-G279 PolarHBondContact OH-O 2.99Å; Y223-F280 HydrophobicContact CD1-CD2 4.27Å; Y223-F280 AromaticContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CE2 4.17Å; Y223-F280 HydrophobicContact CE1-CB 4.35Å; Y223-F280 HydrophobicContact CE1-CD2 4.45Å; Y223-F280 HydrophobicContact CE2-CB 4.46Å; Y223-F280 AromaticContact CE2-CD2 3.81Å; Y223-F280 HydrophobicContact CE2-CD2 3.81Å; Y223-F280 AromaticContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CE2 4.43Å; Y223-F280 PolarHBondContact OH-N 3.46Å; Y223-L283 HydrophobicContact CD2-CD2 3.7Å; Y223-L283 HydrophobicContact CE2-CB 4.31Å; Y223-L283 HydrophobicContact CE2-CD2 3.84Å
224P93Very high86.6Confident29 Ų2922 Ų2219%0.18812%0.121CC..Hα-helixtrans-59.5-43.8178.9-26.437.8000113.3I221 G226 T227 V228 F276 Y277I221-P224 WeakPolarHBondContact O-CD 3.31Å; P224-G226 VanDerWaalsContact C-N 3.32Å; P224-G226 PolarHBondContact O-N 3.04Å; P224-T227 PolarHBondContact O-N 2.82Å; P224-V228 WeakPolarHBondContact O-CG2 3.37Å; P224-V228 PolarHBondContact O-N 3.4Å; P224-V228 VanDerWaalsContact O-N 3.12Å; P224-F276 HydrophobicContact CB-CB 3.89Å; P224-F276 HydrophobicContact CB-CD1 4.02Å; P224-F276 HydrophobicContact CB-CG 4.19Å; P224-F276 HydrophobicContact CG-CB 4.28Å; P224-Y277 HydrophobicContact CG-CE1 4.28Å; P224-Y277 HydrophobicContact CG-CE2 3.81Å; P224-Y277 WeakPolarHBondContact CG-OH 3.45Å
225V90.6Very high86.8Confident64 Ų6422.7 Ų22.739%0.38812%0.124SC..Hα-helixtrans-62.7-42.9177.5-179.80000110.1H176 L222 Y223 T227 V228 V229H176-V225 HydrophobicContact CB-CG1 4.06Å; L222-V225 PolarHBondContact O-N 3.24Å; Y223-V225 PolarHBondContact O-N 2.85Å; V225-T227 PolarHBondContact O-N 3.21Å; V225-V228 PolarHBondContact O-N 3.3Å; V225-V229 HydrophobicContact CG1-CG2 4.5Å; V225-V229 VanDerWaalsContact O-CG2 3.32Å; V225-V229 WeakPolarHBondContact O-CG2 3.17Å; V225-V229 PolarHBondContact O-N 2.81Å
226G87.9Confident86.4Confident1 Ų123 Ų231%0.0113%0.132CC..Hα-helixtrans-55.4-52173.500000111.5L222 Y223 P224 V228 V229 Y230L222-G226 PolarHBondContact O-N 3.23Å; Y223-G226 PolarHBondContact O-N 2.84Å; P224-G226 VanDerWaalsContact C-N 3.32Å; P224-G226 PolarHBondContact O-N 3.04Å; G226-V228 VanDerWaalsContact C-N 3.32Å; G226-V228 PolarHBondContact O-N 3.33Å; G226-V229 WeakPolarHBondContact O-CB 3.3Å; G226-V229 PolarHBondContact O-N 3.04Å; G226-V229 VanDerWaalsContact O-N 3.11Å; G226-Y230 WeakPolarHBondContact O-CD2 3.14Å; G226-Y230 WeakPolarHBondContact O-CE2 3.36Å; G226-Y230 PolarHBondContact O-N 3.19Å
227T91.5Very high85.7Confident0 Ų020.6 Ų20.60%012%0.119CC..Hα-helixtrans-55.6-43.7-179.8-610000112.6Q38 Y223 P224 V225 Y230 R231 F276Q38-T227 HydrophobicContact CB-CG2 4.38Å; Q38-T227 PolarHBondContact NE2-OG1 3.3Å; Y223-T227 PolarHBondContact O-N 3.25Å; Y223-T227 PolarHBondContact O-OG1 2.85Å; P224-T227 PolarHBondContact O-N 2.82Å; V225-T227 PolarHBondContact O-N 3.21Å; T227-Y230 PolarHBondContact O-N 3.23Å; T227-R231 WeakPolarHBondContact O-CG 3.5Å; T227-R231 PolarHBondContact O-N 2.94Å; T227-R231 VanDerWaalsContact O-N 3.16Å; T227-F276 WeakPolarHBondContact CB-O 3.3Å; T227-F276 PolarHBondContact OG1-O 3.37Å
228V91.1Very high85.2Confident6 Ų627.6 Ų27.64%0.03614%0.139CC..Hα-helixtrans-60.7-49.3175.8173.40000110.8P224 V225 G226 Y230 R231 L232 V260 C263 V264 I267 F276P224-V228 WeakPolarHBondContact O-CG2 3.37Å; P224-V228 PolarHBondContact O-N 3.4Å; P224-V228 VanDerWaalsContact O-N 3.12Å; V225-V228 PolarHBondContact O-N 3.3Å; G226-V228 VanDerWaalsContact C-N 3.32Å; G226-V228 PolarHBondContact O-N 3.33Å; V228-Y230 VanDerWaalsContact C-N 3.33Å; V228-Y230 PolarHBondContact O-N 3.11Å; V228-R231 PolarHBondContact O-N 3.5Å; V228-L232 HydrophobicContact CG1-CD1 4.01Å; V228-L232 WeakPolarHBondContact O-CG 3.49Å; V228-L232 PolarHBondContact O-N 2.91Å; V228-L232 VanDerWaalsContact O-N 3.07Å; V228-V260 HydrophobicContact CG1-CG1 3.96Å; V228-C263 HydrophobicContact CG1-CB 4.19Å; V228-V264 HydrophobicContact CG1-CG2 4.15Å; V228-V264 HydrophobicContact CG2-CG2 3.71Å; V228-I267 HydrophobicContact CG2-CD1 3.85Å; V228-F276 HydrophobicContact CG2-CD1 4.25Å; V228-F276 HydrophobicContact CG2-CE1 3.93Å
229V86.8Confident84.9Confident3 Ų328.4 Ų28.42%0.01814%0.144CC..Hα-helixtrans-59.3-42.6179.5168.80000111.5P172 V225 G226 R231 L232 Y233P172-V229 HydrophobicContact CB-CG2 3.75Å; V225-V229 HydrophobicContact CG1-CG2 4.5Å; V225-V229 VanDerWaalsContact O-CG2 3.32Å; V225-V229 WeakPolarHBondContact O-CG2 3.17Å; V225-V229 PolarHBondContact O-N 2.81Å; G226-V229 WeakPolarHBondContact O-CB 3.3Å; G226-V229 PolarHBondContact O-N 3.04Å; G226-V229 VanDerWaalsContact O-N 3.11Å; V229-R231 PolarHBondContact O-N 3.43Å; V229-L232 PolarHBondContact O-N 3.44Å; V229-Y233 HydrophobicContact CG1-CD2 3.85Å; V229-Y233 HydrophobicContact CG1-CE2 3.22Å; V229-Y233 VanDerWaalsContact O-CD2 3.29Å; V229-Y233 WeakPolarHBondContact O-CD2 3.26Å; V229-Y233 PolarHBondContact O-N 3.42Å
230Y86.5Confident84.8Confident23 Ų2329.7 Ų29.79%0.0915%0.151CC..Hα-helixtrans-68.5-31.8-179.7-55.5-45.2000113.7R35 F128 G226 T227 V228 Y233 L234R35-Y230 VanDerWaalsContact NH1-CD2 3.35Å; R35-Y230 PolarHBondContact NH1-OH 3.2Å; R35-Y230 PolarHBondContact NH2-OH 2.94Å; F128-Y230 AromaticContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CD1 3.54Å; F128-Y230 HydrophobicContact CE1-CE1 4.01Å; F128-Y230 HydrophobicContact CE1-CG 4.23Å; F128-Y230 AromaticContact CE2-CD1 3.65Å; F128-Y230 HydrophobicContact CE2-CD1 3.65Å; F128-Y230 AromaticContact CE2-CE1 3.87Å; F128-Y230 HydrophobicContact CE2-CE1 3.87Å; F128-Y230 AromaticContact CZ-CD1 3.07Å; F128-Y230 HydrophobicContact CZ-CD1 3.07Å; F128-Y230 AromaticContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CE1 3.22Å; F128-Y230 HydrophobicContact CZ-CG 4.15Å; G226-Y230 WeakPolarHBondContact O-CD2 3.14Å; G226-Y230 WeakPolarHBondContact O-CE2 3.36Å; G226-Y230 PolarHBondContact O-N 3.19Å; T227-Y230 PolarHBondContact O-N 3.23Å; V228-Y230 VanDerWaalsContact C-N 3.33Å; V228-Y230 PolarHBondContact O-N 3.11Å; Y230-Y233 AromaticContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CE2 4.2Å; Y230-Y233 HydrophobicContact CE1-CE2 4.43Å; Y230-L234 PolarHBondContact O-N 3.49Å
231R88.8Confident84.7Confident2 Ų228.5 Ų28.51%0.00814%0.141CC..Hα-helixtrans-70.5-37.9172.8-72.5-177.9179.5-151.78.9112.2Q38 T227 V228 V229 L234 Q235 Y257 E271Q38-R231 PolarHBondContact O-NE 3.13Å; Q38-R231 PolarHBondContact O-NH2 3.48Å; T227-R231 WeakPolarHBondContact O-CG 3.5Å; T227-R231 PolarHBondContact O-N 2.94Å; T227-R231 VanDerWaalsContact O-N 3.16Å; V228-R231 PolarHBondContact O-N 3.5Å; V229-R231 PolarHBondContact O-N 3.43Å; R231-L234 PolarHBondContact O-N 2.99Å; R231-Q235 PolarHBondContact O-N 3.39Å; R231-Y257 HydrophobicContact CB-CE2 3.94Å; R231-Y257 PolarHBondContact NH1-OH 2.74Å; R231-E271 IonicContact CZ-OE1 3.14Å; R231-E271 IonicContact CZ-OE2 3.78Å; R231-E271 IonicContact NH1-OE1 2.64Å; R231-E271 PolarHBondContact NH1-OE1 2.94Å; R231-E271 IonicContact NH1-OE2 3.94Å; R231-E271 IonicContact NH2-OE1 2.8Å; R231-E271 PolarHBondContact NH2-OE1 3.15Å; R231-E271 IonicContact NH2-OE2 2.78Å; R231-E271 PolarHBondContact NH2-OE2 3.09Å
232L85.5Confident84.7Confident5 Ų524.3 Ų24.33%0.02612%0.12CC..Hα-helixtrans-66.4-38.4175.5-65.5170.4000111.9F164 L169 V228 V229 L234 Q235 Y257 V260 C263F164-L232 HydrophobicContact CD2-CD2 3.97Å; F164-L232 HydrophobicContact CE2-CD2 3.43Å; F164-L232 VanDerWaalsContact CE2-CD2 3.43Å; F164-L232 HydrophobicContact CZ-CD2 4.02Å; L169-L232 HydrophobicContact CD1-CB 3.51Å; L169-L232 HydrophobicContact CD1-CD1 4.24Å; V228-L232 HydrophobicContact CG1-CD1 4.01Å; V228-L232 WeakPolarHBondContact O-CG 3.49Å; V228-L232 PolarHBondContact O-N 2.91Å; V228-L232 VanDerWaalsContact O-N 3.07Å; V229-L232 PolarHBondContact O-N 3.44Å; L232-L234 VanDerWaalsContact C-N 3.28Å; L232-L234 PolarHBondContact O-N 2.76Å; L232-Q235 WeakPolarHBondContact O-CB 3.47Å; L232-Q235 PolarHBondContact O-N 2.89Å; L232-Y257 HydrophobicContact CD2-CD2 4.27Å; L232-V260 HydrophobicContact CD1-CB 4.47Å; L232-V260 HydrophobicContact CD1-CG2 3.9Å; L232-C263 HydrophobicContact CD2-CB 4.03Å; L232-C263 HydrophobicContact CG-CB 4.46Å
233Y80.4Confident84.7Confident2 Ų224.6 Ų24.61%0.00812%0.121CC..Hα-helixtrans-59.6-35.8175-75.2-52.9000113.7V121 Q124 L125 F128 L169 S173 V229 Y230 Q235V121-Y233 HydrophobicContact CG1-CE1 4.04Å; Q124-Y233 HydrophobicContact CB-CE1 4.4Å; Q124-Y233 HydrophobicContact CB-CE2 4.3Å; Q124-Y233 PolarHBondContact OE1-OH 2.87Å; L125-Y233 HydrophobicContact CD1-CD1 4.28Å; L125-Y233 WeakPolarHBondContact CD1-O 3.43Å; F128-Y233 AromaticContact CD2-CD2 3.34Å; F128-Y233 HydrophobicContact CD2-CD2 3.34Å; F128-Y233 AromaticContact CD2-CE2 3.92Å; F128-Y233 HydrophobicContact CD2-CE2 3.92Å; F128-Y233 AromaticContact CD2-CG 3.72Å; F128-Y233 HydrophobicContact CD2-CG 3.72Å; F128-Y233 AromaticContact CE2-CD2 3.3Å; F128-Y233 HydrophobicContact CE2-CD2 3.3Å; F128-Y233 AromaticContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CE2 3.5Å; F128-Y233 VanDerWaalsContact CE2-CE2 3.5Å; F128-Y233 HydrophobicContact CE2-CG 4.16Å; F128-Y233 HydrophobicContact CG-CD2 4.34Å; F128-Y233 HydrophobicContact CZ-CD2 4.25Å; F128-Y233 HydrophobicContact CZ-CE2 4.46Å; L169-Y233 HydrophobicContact CD1-CD1 4.37Å; L169-Y233 HydrophobicContact CD1-CE1 4.29Å; L169-Y233 HydrophobicContact CD2-CD1 3.16Å; L169-Y233 HydrophobicContact CD2-CE1 3.45Å; L169-Y233 VanDerWaalsContact CD2-CE1 3.45Å; L169-Y233 HydrophobicContact CD2-CG 4.1Å; L169-Y233 HydrophobicContact CG-CD1 3.84Å; L169-Y233 HydrophobicContact CG-CE1 3.61Å; S173-Y233 VanDerWaalsContact CB-OH 3.3Å; S173-Y233 WeakPolarHBondContact CB-OH 2.93Å; S173-Y233 PolarHBondContact OG-OH 2.98Å; V229-Y233 HydrophobicContact CG1-CD2 3.85Å; V229-Y233 HydrophobicContact CG1-CE2 3.22Å; V229-Y233 VanDerWaalsContact O-CD2 3.29Å; V229-Y233 WeakPolarHBondContact O-CD2 3.26Å; V229-Y233 PolarHBondContact O-N 3.42Å; Y230-Y233 AromaticContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CD2 3.99Å; Y230-Y233 HydrophobicContact CD1-CE2 4.2Å; Y230-Y233 HydrophobicContact CE1-CE2 4.43Å; Y233-Q235 VanDerWaalsContact C-N 3.35Å
234L79.4Confident84.7Confident2 Ų224.3 Ų24.31%0.0112%0.12CC..Hα-helixtrans-82.5-12.8-178.4-81.7-172.3000114V39 F132 Y230 R231 L232 G236 S237 V239 I253V39-L234 HydrophobicContact CB-CD1 3.57Å; V39-L234 HydrophobicContact CG1-CD1 3.53Å; V39-L234 HydrophobicContact CG1-CG 4.36Å; V39-L234 HydrophobicContact CG2-CD1 3.68Å; F132-L234 HydrophobicContact CD1-CD1 4.5Å; F132-L234 HydrophobicContact CD2-CD1 3.64Å; F132-L234 HydrophobicContact CD2-CD2 3.65Å; F132-L234 HydrophobicContact CD2-CG 3.96Å; F132-L234 HydrophobicContact CE1-CD1 4.43Å; F132-L234 HydrophobicContact CE2-CD1 3.58Å; F132-L234 HydrophobicContact CE2-CD2 4.12Å; F132-L234 HydrophobicContact CE2-CG 3.93Å; F132-L234 HydrophobicContact CG-CD1 4.13Å; F132-L234 HydrophobicContact CG-CD2 4.42Å; F132-L234 HydrophobicContact CZ-CD1 3.99Å; Y230-L234 PolarHBondContact O-N 3.49Å; R231-L234 PolarHBondContact O-N 2.99Å; L232-L234 VanDerWaalsContact C-N 3.28Å; L232-L234 PolarHBondContact O-N 2.76Å; L234-G236 PolarHBondContact O-N 2.97Å; L234-S237 WeakPolarHBondContact O-CB 3.48Å; L234-S237 PolarHBondContact O-N 2.78Å; L234-S237 PolarHBondContact O-OG 3.4Å; L234-S237 VanDerWaalsContact O-OG 3.06Å; L234-V239 HydrophobicContact CD2-CG2 4.39Å; L234-I253 HydrophobicContact CB-CG2 4.43Å; L234-I253 HydrophobicContact CD1-CG1 4.21Å
235Q80.7Confident84.5Confident14 Ų1423.8 Ų23.87%0.06512%0.116CC..THydrogen-bonded Turntrans-58.7136.8-179.1-175161.6-41.500111.9F164 R231 L232 Y233 S237 Y257F164-Q235 HydrophobicContact CD2-CB 4.32Å; F164-Q235 HydrophobicContact CD2-CG 4.29Å; F164-Q235 VanDerWaalsContact CE2-OE1 3.23Å; R231-Q235 PolarHBondContact O-N 3.39Å; L232-Q235 WeakPolarHBondContact O-CB 3.47Å; L232-Q235 PolarHBondContact O-N 2.89Å; Y233-Q235 VanDerWaalsContact C-N 3.35Å; Q235-S237 PolarHBondContact O-N 2.8Å; Q235-S237 VanDerWaalsContact O-N 3.15Å; Q235-Y257 PolarHBondContact NE2-O 3.43Å; Q235-Y257 VanDerWaalsContact OE1-CD2 3.3Å; Q235-Y257 PolarHBondContact OE1-O 3.34Å
236G71.4Confident84.5Confident25 Ų2524.6 Ų24.626%0.25812%0.118SC..THydrogen-bonded Turntrans69.84.4-177.500000115R163 L234R163-G236 PolarHBondContact NE-O 2.63Å; R163-G236 PolarHBondContact NH2-O 2.91Å; L234-G236 PolarHBondContact O-N 2.97Å
237S71.8Confident84.4Confident4 Ų424.6 Ų24.63%0.02812%0.118CC..  trans-93.3119.4168.4-42.30000108.5R150 L234 Q235 V239R150-S237 VanDerWaalsContact CZ-OG 3.24Å; R150-S237 PolarHBondContact NH1-OG 2.64Å; R150-S237 VanDerWaalsContact NH2-CB 3.26Å; R150-S237 PolarHBondContact NH2-OG 3.35Å; L234-S237 WeakPolarHBondContact O-CB 3.48Å; L234-S237 PolarHBondContact O-N 2.78Å; L234-S237 PolarHBondContact O-OG 3.4Å; L234-S237 VanDerWaalsContact O-OG 3.06Å; Q235-S237 PolarHBondContact O-N 2.8Å; Q235-S237 VanDerWaalsContact O-N 3.15Å; S237-V239 PolarHBondContact O-N 2.91Å
238R72.9Confident84.2Confident240 Ų24028.7 Ų28.791%0.90614%0.143SC*.  trans-76.454.5175.6-62.5-175.2-173.8175.53.2111.2
239V78.9Confident84Confident18 Ų1830.9 Ų30.911%0.10916%0.159CC..PPolyproline II helixtrans-91.1138.6-175.9-176.60000109.8F132 L234 S237 I253F132-V239 HydrophobicContact CB-CG1 3.44Å; F132-V239 VanDerWaalsContact CB-CG1 3.44Å; F132-V239 WeakPolarHBondContact O-CG1 3.31Å; L234-V239 HydrophobicContact CD2-CG2 4.39Å; S237-V239 PolarHBondContact O-N 2.91Å; V239-I253 PolarHBondContact O-N 3.38Å; V239-I253 VanDerWaalsContact O-N 3.09Å
240I84.5Confident84.1Confident48 Ų4833 Ų3325%0.24617%0.172CC..EExtended strand (participates in β ladder)trans-104120.7176.1-63.4172.5000106.9V134 R135 V250V134-I240 WeakPolarHBondContact CB-O 3.33Å; V134-I240 WeakPolarHBondContact CG2-O 3.4Å; V134-I240 PolarHBondContact N-O 2.91Å; R135-I240 HydrophobicContact CB-CD1 4.44Å; I240-V250 HydrophobicContact CG2-CB 3.49Å; I240-V250 VanDerWaalsContact CG2-CB 3.49Å; I240-V250 HydrophobicContact CG2-CG1 4.34Å; I240-V250 HydrophobicContact CG2-CG2 3.59Å
241I87.7Confident84.2Confident0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-99.6163.4-178.659.2150.1000111.7Q36 V39 N40 F132 V250 V251 I253Q36-I241 VanDerWaalsContact OE1-CB 3.23Å; V39-I241 HydrophobicContact CG2-CD1 4.3Å; V39-I241 HydrophobicContact CG2-CG2 4.04Å; N40-I241 HydrophobicContact CB-CD1 3.52Å; F132-I241 HydrophobicContact CB-CG2 4.14Å; F132-I241 HydrophobicContact CD1-CG2 3.69Å; F132-I241 HydrophobicContact CE1-CG2 4.4Å; F132-I241 HydrophobicContact CG-CG2 4.19Å; I241-V250 CarbonylContact O-C 3.51Å; I241-V250 VanDerWaalsContact O-CA 3.25Å; I241-V250 WeakPolarHBondContact O-CA 3.31Å; I241-V250 WeakPolarHBondContact O-CB 3.35Å; I241-V251 HydrophobicContact CD1-CB 4.43Å; I241-V251 HydrophobicContact CG1-CB 4.08Å; I241-V251 WeakPolarHBondContact CG1-O 3.45Å; I241-V251 PolarHBondContact N-O 3.11Å; I241-V251 PolarHBondContact O-N 3.41Å; I241-I253 HydrophobicContact CB-CD1 4.48Å; I241-I253 HydrophobicContact CD1-CD1 3.59Å; I241-I253 HydrophobicContact CG1-CD1 3.71Å; I241-I253 HydrophobicContact CG1-CG1 4.16Å; I241-I253 HydrophobicContact CG2-CD1 3.97Å; I241-I253 HydrophobicContact CG2-CG1 3.76Å
242D88.3Confident84.2Confident3 Ų337.2 Ų37.22%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-76.8136.4173.5-67.5-50.6000110L60 Q64 K71 V134 M244L60-D242 HydrophobicContact CD2-CB 4.07Å; Q64-D242 PolarHBondContact NE2-OD1 3.05Å; Q64-D242 PolarHBondContact OE1-OD1 3.31Å; K71-D242 IonicContact NZ-OD1 2.63Å; K71-D242 PolarHBondContact NZ-OD1 3.12Å; K71-D242 IonicContact NZ-OD2 3.57Å; K71-D242 PolarHBondContact NZ-OD2 2.97Å; V134-D242 WeakPolarHBondContact CG1-OD1 3.44Å; V134-D242 WeakPolarHBondContact CG2-OD1 3.25Å; D242-M244 PolarHBondContact O-N 3.48Å
243N90.1Very high84.2Confident20 Ų2038 Ų3811%0.10721%0.205CC..  trans-73.499.7177.6-171.8-4.2000110.8D245 N246 G247 S249 V251N243-D245 PolarHBondContact O-N 3.36Å; N243-D245 WeakPolarHBondContact OD1-CB 3.38Å; N243-D245 PolarHBondContact OD1-N 3.24Å; N243-N246 PolarHBondContact O-N 3.18Å; N243-G247 WeakPolarHBondContact O-CA 3.26Å; N243-G247 PolarHBondContact O-N 2.95Å; N243-S249 WeakPolarHBondContact CB-O 3.06Å; N243-S249 VanDerWaalsContact CB-OG 3.32Å; N243-S249 WeakPolarHBondContact CB-OG 3.07Å; N243-S249 PolarHBondContact N-O 3.13Å; N243-S249 PolarHBondContact ND2-OG 3.02Å; N243-V251 HydrophobicContact CB-CG2 3.87Å
244M90.1Very high84.2Confident2 Ų245.3 Ų45.31%0.0125%0.245CC..THydrogen-bonded Turntrans-70-2.8178.3-64-55.3-61.100114.6L33 Q36 H47 L53 I56 L60 D242L33-M244 HydrophobicContact CD2-CE 3.64Å; L33-M244 HydrophobicContact CD2-SD 4.42Å; Q36-M244 HydrophobicContact CB-CG 3.69Å; Q36-M244 HydrophobicContact CB-SD 3.84Å; H47-M244 PolarHBondContact NE2-O 3.01Å; L53-M244 HydrophobicContact CD2-CE 4.11Å; I56-M244 WeakPolarHBondContact CD1-O 3.28Å; I56-M244 HydrophobicContact CG2-CE 3.64Å; I56-M244 HydrophobicContact CG2-SD 4.2Å; L60-M244 HydrophobicContact CD1-CE 4.39Å; L60-M244 HydrophobicContact CD1-SD 4.07Å; D242-M244 PolarHBondContact O-N 3.48Å
245D90.7Very high84.4Confident18 Ų1846.6 Ų46.610%0.09625%0.253CS..THydrogen-bonded Turntrans-77.9-45.1173.4-71.9-30.4000111.8A43 I44 R45 N243A43-D245 WeakPolarHBondContact CA-OD2 3.17Å; I44-D245 PolarHBondContact N-OD1 3.47Å; I44-D245 PolarHBondContact N-OD2 3.47Å; R45-D245 WeakPolarHBondContact CA-OD1 3.04Å; R45-D245 VanDerWaalsContact CB-OD1 3.29Å; R45-D245 WeakPolarHBondContact CB-OD1 3.34Å; R45-D245 PolarHBondContact N-OD1 3.49Å; R45-D245 PolarHBondContact NH1-O 2.98Å; N243-D245 PolarHBondContact O-N 3.36Å; N243-D245 WeakPolarHBondContact OD1-CB 3.38Å; N243-D245 PolarHBondContact OD1-N 3.24Å
246N89Confident84.6Confident81 Ų8149.5 Ų49.543%0.43327%0.274SS..THydrogen-bonded Turntrans-116.8-25.6-173.2-64.70.1000113.6N59 N243 T248N59-N246 WeakPolarHBondContact CB-O 2.81Å; N59-N246 PolarHBondContact ND2-O 2.98Å; N243-N246 PolarHBondContact O-N 3.18Å; N246-T248 VanDerWaalsContact C-N 3.28Å; N246-T248 PolarHBondContact O-N 2.83Å
247G87.3Confident85.3Confident1 Ų148.6 Ų48.61%0.0126%0.263CS..SBendtrans73.313.1-175.900000115.1N59 N63 N243N59-G247 CarbonylContact C-O 3.56Å; N63-G247 PolarHBondContact ND2-O 3.49Å; N243-G247 WeakPolarHBondContact O-CA 3.26Å; N243-G247 PolarHBondContact O-N 2.95Å
248T86.1Confident85.9Confident85 Ų8555.5 Ų55.552%0.52130%0.295SS..SBendtrans-117.5-21.4-174.256.70000114.4N63 N246N63-T248 WeakPolarHBondContact ND2-CA 3.38Å; N63-T248 WeakPolarHBondContact ND2-CG2 2.93Å; N246-T248 VanDerWaalsContact C-N 3.28Å; N246-T248 PolarHBondContact O-N 2.83Å
249S88.1Confident86.5Confident52 Ų5244.4 Ų44.436%0.36426%0.255SS..SBendtrans-121.5174.2-178.272.10000111.8N243N243-S249 WeakPolarHBondContact CB-O 3.06Å; N243-S249 VanDerWaalsContact CB-OG 3.32Å; N243-S249 WeakPolarHBondContact CB-OG 3.07Å; N243-S249 PolarHBondContact N-O 3.13Å; N243-S249 PolarHBondContact ND2-OG 3.02Å
250V88.4Confident87Confident49 Ų4945.5 Ų45.530%0.29726%0.261SS..EExtended strand (participates in β ladder)trans-119.6147.7177-60.10000109.9V134 I240 I241V134-V250 HydrophobicContact CB-CG1 4.48Å; V134-V250 HydrophobicContact CG1-CG1 3.65Å; I240-V250 HydrophobicContact CG2-CB 3.49Å; I240-V250 VanDerWaalsContact CG2-CB 3.49Å; I240-V250 HydrophobicContact CG2-CG1 4.34Å; I240-V250 HydrophobicContact CG2-CG2 3.59Å; I241-V250 CarbonylContact O-C 3.51Å; I241-V250 VanDerWaalsContact O-CA 3.25Å; I241-V250 WeakPolarHBondContact O-CA 3.31Å; I241-V250 WeakPolarHBondContact O-CB 3.35Å
251V89Confident87.3Confident24 Ų2449.9 Ų49.915%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-125.4129.4-176.5179.30000109.5I241 N243I241-V251 HydrophobicContact CD1-CB 4.43Å; I241-V251 HydrophobicContact CG1-CB 4.08Å; I241-V251 WeakPolarHBondContact CG1-O 3.45Å; I241-V251 PolarHBondContact N-O 3.11Å; I241-V251 PolarHBondContact O-N 3.41Å; N243-V251 HydrophobicContact CB-CG2 3.87Å
252P87.7Confident87.6Confident88 Ų8852.5 Ų52.557%0.57130%0.298SS*.EExtended strand (participates in β ladder)trans-76.1139.7172.831-33.1000110.9N254P252-N254 PolarHBondContact O-N 2.97Å
253I84.7Confident87.8Confident22 Ų2252.3 Ų52.311%0.11330%0.297CS..  trans-81.3113.2170.9-59.2-61.7000108.8V39 L234 V239 I241V39-I253 HydrophobicContact CB-CD1 4.43Å; V39-I253 HydrophobicContact CG2-CD1 4.15Å; V39-I253 WeakPolarHBondContact O-CD1 2.94Å; L234-I253 HydrophobicContact CB-CG2 4.43Å; L234-I253 HydrophobicContact CD1-CG1 4.21Å; V239-I253 PolarHBondContact O-N 3.38Å; V239-I253 VanDerWaalsContact O-N 3.09Å; I241-I253 HydrophobicContact CB-CD1 4.48Å; I241-I253 HydrophobicContact CD1-CD1 3.59Å; I241-I253 HydrophobicContact CG1-CD1 3.71Å; I241-I253 HydrophobicContact CG1-CG1 4.16Å; I241-I253 HydrophobicContact CG2-CD1 3.97Å; I241-I253 HydrophobicContact CG2-CG1 3.76Å
254N81.9Confident88Confident155 Ų15554.3 Ų54.383%0.82931%0.309SS*.  trans-124.132.6178.8-165.532000112.6P252P252-N254 PolarHBondContact O-N 2.97Å
255T82.4Confident88.3Confident30 Ų3062.4 Ų62.418%0.18434%0.34CS..  trans-84.2135.8178.855.40000110.9A41 Y257A41-T255 HydrophobicContact CB-CG2 3.75Å; T255-Y257 HydrophobicContact CG2-CE2 4.41Å; T255-Y257 WeakPolarHBondContact CG2-OH 3.04Å
256C84.6Confident88.4Confident75 Ų7562.9 Ų62.951%0.50734%0.343SS..  trans-127.3117173.4-171.50000108.3
257Y86.9Confident88.6Confident5 Ų559 Ų592%0.0232%0.323CS..  trans-112.2146.4174.1-50-72000108.6F164 R231 L232 Q235 T255 D262 C263 T266F164-Y257 WeakPolarHBondContact CE2-O 3.27Å; F164-Y257 WeakPolarHBondContact CZ-O 3.32Å; R231-Y257 HydrophobicContact CB-CE2 3.94Å; R231-Y257 PolarHBondContact NH1-OH 2.74Å; L232-Y257 HydrophobicContact CD2-CD2 4.27Å; Q235-Y257 PolarHBondContact NE2-O 3.43Å; Q235-Y257 VanDerWaalsContact OE1-CD2 3.3Å; Q235-Y257 PolarHBondContact OE1-O 3.34Å; T255-Y257 HydrophobicContact CG2-CE2 4.41Å; T255-Y257 WeakPolarHBondContact CG2-OH 3.04Å; Y257-D262 WeakPolarHBondContact CA-OD2 3.48Å; Y257-C263 VanDerWaalsContact CD1-CA 3.43Å; Y257-C263 HydrophobicContact CD1-CB 3.8Å; Y257-C263 HydrophobicContact CD2-CB 4.13Å; Y257-C263 HydrophobicContact CE1-CB 4.3Å; Y257-C263 HydrophobicContact CG-CB 3.67Å; Y257-T266 HydrophobicContact CD1-CG2 4.33Å; Y257-T266 HydrophobicContact CE1-CG2 3.77Å
258Q84.8Confident89Confident150 Ų15065.6 Ų65.670%0.70135%0.348SS*.SBendtrans-89.3-20.2177.5-63.6-60.3-33.800113F164 D262F164-Q258 WeakPolarHBondContact CE1-O 3.38Å; Q258-D262 HydrophobicContact CB-CB 4.16Å; Q258-D262 PolarHBondContact N-OD2 3.44Å
259G85.1Confident89.4Confident7 Ų767 Ų677%0.07235%0.353CS..SBendtrans-169.4-172171.400000112.3D262 C263G259-D262 PolarHBondContact O-N 3.19Å; G259-C263 WeakPolarHBondContact O-CB 3.32Å; G259-C263 PolarHBondContact O-N 2.87Å
260V89.4Confident89.7Confident40 Ų4071.4 Ų71.424%0.24237%0.368CS..Hα-helixtrans-62.8-45175.8-1770000110.7Y168 P172 V228 L232 D262 C263 V264Y168-V260 HydrophobicContact CE1-CG2 4.1Å; P172-V260 HydrophobicContact CB-CG2 4.47Å; P172-V260 HydrophobicContact CG-CG2 3.44Å; P172-V260 VanDerWaalsContact CG-CG2 3.44Å; V228-V260 HydrophobicContact CG1-CG1 3.96Å; L232-V260 HydrophobicContact CD1-CB 4.47Å; L232-V260 HydrophobicContact CD1-CG2 3.9Å; V260-D262 VanDerWaalsContact C-N 3.34Å; V260-C263 WeakPolarHBondContact O-CB 3.32Å; V260-C263 PolarHBondContact O-N 2.97Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 3.3Å
261I92Very high89.8Confident140 Ų14070.7 Ų70.772%0.71836%0.361SS*.Hα-helixtrans-64.1-42.8-179.7-60.5173.6000110.2C263 V264 R265I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.83Å; I261-V264 PolarHBondContact O-N 2.86Å; I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 PolarHBondContact O-N 2.59Å
262D92.8Very high90Very high55 Ų5570.8 Ų70.829%0.29437%0.367SS..Hα-helixtrans-63.5-40.6176.9-172.951.8000111.9Y257 Q258 G259 V260 R265 T266Y257-D262 WeakPolarHBondContact CA-OD2 3.48Å; Q258-D262 HydrophobicContact CB-CB 4.16Å; Q258-D262 PolarHBondContact N-OD2 3.44Å; G259-D262 PolarHBondContact O-N 3.19Å; V260-D262 VanDerWaalsContact C-N 3.34Å; D262-R265 PolarHBondContact O-N 2.73Å; D262-T266 VanDerWaalsContact O-CB 3.28Å; D262-T266 WeakPolarHBondContact O-CB 2.99Å; D262-T266 PolarHBondContact O-N 3.26Å; D262-T266 PolarHBondContact O-OG1 2.84Å
263C92.1Very high90.2Very high0 Ų070.9 Ų70.90%037%0.366CS..Hα-helixtrans-60.8-47.3172.9-176.40000112V228 L232 Y257 G259 V260 I261 R265 T266 I267V228-C263 HydrophobicContact CG1-CB 4.19Å; L232-C263 HydrophobicContact CD2-CB 4.03Å; L232-C263 HydrophobicContact CG-CB 4.46Å; Y257-C263 VanDerWaalsContact CD1-CA 3.43Å; Y257-C263 HydrophobicContact CD1-CB 3.8Å; Y257-C263 HydrophobicContact CD2-CB 4.13Å; Y257-C263 HydrophobicContact CE1-CB 4.3Å; Y257-C263 HydrophobicContact CG-CB 3.67Å; G259-C263 WeakPolarHBondContact O-CB 3.32Å; G259-C263 PolarHBondContact O-N 2.87Å; V260-C263 WeakPolarHBondContact O-CB 3.32Å; V260-C263 PolarHBondContact O-N 2.97Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.83Å; C263-R265 PolarHBondContact O-N 3.49Å; C263-T266 PolarHBondContact O-N 2.87Å; C263-I267 WeakPolarHBondContact O-CD1 3.12Å; C263-I267 WeakPolarHBondContact O-CG1 3.07Å; C263-I267 PolarHBondContact O-N 3.25Å
264V94.4Very high90.6Very high61 Ų6175.7 Ų75.737%0.3739%0.385SS..Hα-helixtrans-59.3-47176.3171.70000111V228 V260 I261 I267 Y268 F276V228-V264 HydrophobicContact CG1-CG2 4.15Å; V228-V264 HydrophobicContact CG2-CG2 3.71Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 3.3Å; I261-V264 PolarHBondContact O-N 2.86Å; V264-I267 PolarHBondContact O-N 3.47Å; V264-Y268 WeakPolarHBondContact O-CB 3.47Å; V264-Y268 PolarHBondContact O-N 2.9Å; V264-F276 HydrophobicContact CG1-CE1 4.34Å; V264-F276 HydrophobicContact CG1-CZ 4.06Å; V264-F276 WeakPolarHBondContact O-CZ 3.41Å
265R96.1Very high91Very high172 Ų17268.3 Ų68.365%0.64935%0.346SS*.Hα-helixtrans-63.8-46.7-179.1-144.8179.9-162.9170.53.7111.2I261 D262 C263 I267 Y268 D269I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 PolarHBondContact O-N 2.59Å; D262-R265 PolarHBondContact O-N 2.73Å; C263-R265 PolarHBondContact O-N 3.49Å; R265-I267 PolarHBondContact O-N 3.38Å; R265-Y268 PolarHBondContact O-N 3.08Å; R265-Y268 VanDerWaalsContact O-N 3.13Å; R265-D269 WeakPolarHBondContact O-CB 3.22Å; R265-D269 VanDerWaalsContact O-CG 3.26Å; R265-D269 PolarHBondContact O-N 2.9Å
266T94.1Very high91.5Very high28 Ų2867.9 Ų67.917%0.17234%0.342CS..Hα-helixtrans-60.5-43.1178-57.70000112Y257 D262 C263 Y268 D269 Q270Y257-T266 HydrophobicContact CD1-CG2 4.33Å; Y257-T266 HydrophobicContact CE1-CG2 3.77Å; D262-T266 VanDerWaalsContact O-CB 3.28Å; D262-T266 WeakPolarHBondContact O-CB 2.99Å; D262-T266 PolarHBondContact O-N 3.26Å; D262-T266 PolarHBondContact O-OG1 2.84Å; C263-T266 PolarHBondContact O-N 2.87Å; T266-Y268 VanDerWaalsContact C-N 3.35Å; T266-D269 PolarHBondContact O-N 3.15Å; T266-Q270 HydrophobicContact CG2-CG 4.2Å; T266-Q270 VanDerWaalsContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CG 3.19Å; T266-Q270 PolarHBondContact O-N 2.8Å
267I93.9Very high92Very high0 Ų068.2 Ų68.20%033%0.333CS..Hα-helixtrans-61.1-46.9175.1-65.9160.6000110.3V228 C263 V264 R265 E271 G272 F276V228-I267 HydrophobicContact CG2-CD1 3.85Å; C263-I267 WeakPolarHBondContact O-CD1 3.12Å; C263-I267 WeakPolarHBondContact O-CG1 3.07Å; C263-I267 PolarHBondContact O-N 3.25Å; V264-I267 PolarHBondContact O-N 3.47Å; R265-I267 PolarHBondContact O-N 3.38Å; I267-E271 WeakPolarHBondContact O-CA 3.05Å; I267-E271 WeakPolarHBondContact O-CB 3.25Å; I267-E271 PolarHBondContact O-N 3.08Å; I267-G272 PolarHBondContact O-N 3.31Å; I267-F276 HydrophobicContact CB-CE1 3.94Å; I267-F276 HydrophobicContact CB-CE2 4.24Å; I267-F276 HydrophobicContact CB-CZ 3.75Å; I267-F276 HydrophobicContact CD1-CD1 4.28Å; I267-F276 HydrophobicContact CD1-CE1 3.85Å; I267-F276 HydrophobicContact CG2-CD1 3.92Å; I267-F276 HydrophobicContact CG2-CD2 3.84Å; I267-F276 HydrophobicContact CG2-CE1 3.73Å; I267-F276 HydrophobicContact CG2-CE2 3.64Å; I267-F276 HydrophobicContact CG2-CG 3.98Å; I267-F276 HydrophobicContact CG2-CZ 3.59Å
268Y95.4Very high92.3Very high139 Ų13968.1 Ų68.155%0.54533%0.332SS..Hα-helixtrans-63.3-44.4-179-176.5-94.6000111.9V264 R265 T266 G272 V273 F276V264-Y268 WeakPolarHBondContact O-CB 3.47Å; V264-Y268 PolarHBondContact O-N 2.9Å; R265-Y268 PolarHBondContact O-N 3.08Å; R265-Y268 VanDerWaalsContact O-N 3.13Å; T266-Y268 VanDerWaalsContact C-N 3.35Å; Y268-G272 WeakPolarHBondContact O-CA 3.48Å; Y268-G272 PolarHBondContact O-N 2.93Å; Y268-V273 HydrophobicContact CD2-CG2 4.19Å; Y268-V273 HydrophobicContact CE2-CG2 3.79Å; Y268-F276 HydrophobicContact CD2-CE2 4.49Å
269D94.6Very high92.7Very high116 Ų11661 Ų6162%0.6230%0.299SS*.Hα-helixtrans-73.8-38.4-176.3-65.6-20.9000112.3R265 T266R265-D269 WeakPolarHBondContact O-CB 3.22Å; R265-D269 VanDerWaalsContact O-CG 3.26Å; R265-D269 PolarHBondContact O-N 2.9Å; T266-D269 PolarHBondContact O-N 3.15Å
270Q92.7Very high93.1Very high143 Ų14362.7 Ų62.767%0.66831%0.305SS*.Hα-helixtrans-89.8-33.5-176.3-63.4-176.6-1.200113.9T266T266-Q270 HydrophobicContact CG2-CG 4.2Å; T266-Q270 VanDerWaalsContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CB 3.3Å; T266-Q270 WeakPolarHBondContact O-CG 3.19Å; T266-Q270 PolarHBondContact O-N 2.8Å
271E92Very high93.3Very high35 Ų3560.8 Ų60.816%0.16429%0.293CS..Hα-helixtrans-121.2-11.5-171.5-56.9175.3-146.400113.3A41 R231 I267 G275 K278A41-E271 VanDerWaalsContact CA-OE1 3.31Å; A41-E271 WeakPolarHBondContact CA-OE1 3.23Å; R231-E271 IonicContact CZ-OE1 3.14Å; R231-E271 IonicContact CZ-OE2 3.78Å; R231-E271 IonicContact NH1-OE1 2.64Å; R231-E271 PolarHBondContact NH1-OE1 2.94Å; R231-E271 IonicContact NH1-OE2 3.94Å; R231-E271 IonicContact NH2-OE1 2.8Å; R231-E271 PolarHBondContact NH2-OE1 3.15Å; R231-E271 IonicContact NH2-OE2 2.78Å; R231-E271 PolarHBondContact NH2-OE2 3.09Å; I267-E271 WeakPolarHBondContact O-CA 3.05Å; I267-E271 WeakPolarHBondContact O-CB 3.25Å; I267-E271 PolarHBondContact O-N 3.08Å; E271-G275 VanDerWaalsContact OE2-CA 3.29Å; E271-G275 WeakPolarHBondContact OE2-CA 3.4Å; E271-K278 IonicContact OE1-NZ 3.27Å; E271-K278 VanDerWaalsContact OE2-CD 3.32Å; E271-K278 WeakPolarHBondContact OE2-CD 3.31Å; E271-K278 WeakPolarHBondContact OE2-CE 3.44Å; E271-K278 IonicContact OE2-NZ 3.29Å; E271-K278 PolarHBondContact OE2-NZ 2.89Å
272G92.3Very high93.3Very high25 Ų2554.1 Ų54.126%0.25826%0.259SS..  trans67.4-171.7-172.300000113.3I267 Y268 K274 G275I267-G272 PolarHBondContact O-N 3.31Å; Y268-G272 WeakPolarHBondContact O-CA 3.48Å; Y268-G272 PolarHBondContact O-N 2.93Å; G272-K274 PolarHBondContact O-N 3.29Å; G272-K274 VanDerWaalsContact O-N 3.07Å; G272-G275 PolarHBondContact O-N 2.78Å
273V92.4Very high93.3Very high91 Ų9151.5 Ų51.555%0.55225%0.245SC*.Hα-helixtrans-58-27178.8-1770000112.4Y268 G275 F276Y268-V273 HydrophobicContact CD2-CG2 4.19Å; Y268-V273 HydrophobicContact CE2-CG2 3.79Å; V273-G275 VanDerWaalsContact C-N 3.29Å; V273-G275 PolarHBondContact O-N 3.21Å; V273-F276 PolarHBondContact O-N 3.5Å
274K91.9Very high93.3Very high122 Ų12253.4 Ų53.453%0.5326%0.256SS..Hα-helixtrans-67.7-28.8178.8-63.8176.5-174.1167.30112.4G272 F276 Y277 K278G272-K274 PolarHBondContact O-N 3.29Å; G272-K274 VanDerWaalsContact O-N 3.07Å; K274-F276 VanDerWaalsContact C-N 3.27Å; K274-F276 PolarHBondContact O-N 3.46Å; K274-Y277 PolarHBondContact O-N 3.14Å; K274-Y277 VanDerWaalsContact O-N 3.15Å; K274-K278 PolarHBondContact O-N 2.83Å
275G91.3Very high93.2Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-59-37.2178.100000113.1E271 G272 V273 Y277 K278E271-G275 VanDerWaalsContact OE2-CA 3.29Å; E271-G275 WeakPolarHBondContact OE2-CA 3.4Å; G272-G275 PolarHBondContact O-N 2.78Å; V273-G275 VanDerWaalsContact C-N 3.29Å; V273-G275 PolarHBondContact O-N 3.21Å; G275-Y277 VanDerWaalsContact C-N 3.26Å; G275-Y277 PolarHBondContact O-N 3.4Å; G275-K278 WeakPolarHBondContact O-CB 3.38Å; G275-K278 WeakPolarHBondContact O-CG 3.34Å; G275-K278 PolarHBondContact O-N 3.39Å
276F93.6Very high93Very high22 Ų2245.1 Ų45.110%0.09622%0.222CC..Hα-helixtrans-64.9-29.3178.2-66.2-78.4000113.4Y223 P224 T227 V228 V264 I267 Y268 V273 K274Y223-F276 WeakPolarHBondContact CD1-O 3.33Å; Y223-F276 WeakPolarHBondContact CE1-O 3.32Å; P224-F276 HydrophobicContact CB-CB 3.89Å; P224-F276 HydrophobicContact CB-CD1 4.02Å; P224-F276 HydrophobicContact CB-CG 4.19Å; P224-F276 HydrophobicContact CG-CB 4.28Å; T227-F276 WeakPolarHBondContact CB-O 3.3Å; T227-F276 PolarHBondContact OG1-O 3.37Å; V228-F276 HydrophobicContact CG2-CD1 4.25Å; V228-F276 HydrophobicContact CG2-CE1 3.93Å; V264-F276 HydrophobicContact CG1-CE1 4.34Å; V264-F276 HydrophobicContact CG1-CZ 4.06Å; V264-F276 WeakPolarHBondContact O-CZ 3.41Å; I267-F276 HydrophobicContact CB-CE1 3.94Å; I267-F276 HydrophobicContact CB-CE2 4.24Å; I267-F276 HydrophobicContact CB-CZ 3.75Å; I267-F276 HydrophobicContact CD1-CD1 4.28Å; I267-F276 HydrophobicContact CD1-CE1 3.85Å; I267-F276 HydrophobicContact CG2-CD1 3.92Å; I267-F276 HydrophobicContact CG2-CD2 3.84Å; I267-F276 HydrophobicContact CG2-CE1 3.73Å; I267-F276 HydrophobicContact CG2-CE2 3.64Å; I267-F276 HydrophobicContact CG2-CG 3.98Å; I267-F276 HydrophobicContact CG2-CZ 3.59Å; Y268-F276 HydrophobicContact CD2-CE2 4.49Å; V273-F276 PolarHBondContact O-N 3.5Å; K274-F276 VanDerWaalsContact C-N 3.27Å; K274-F276 PolarHBondContact O-N 3.46Å
277Y94Very high92.7Very high82 Ų8244.4 Ų44.432%0.32222%0.217SC..THydrogen-bonded Turntrans-100.919.5-178.3-69.5-87.6000113.2Y223 P224 K274 G275 G279 F280Y223-Y277 AromaticContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CD1 3.87Å; Y223-Y277 HydrophobicContact CD1-CE1 4.46Å; Y223-Y277 HydrophobicContact CD1-CG 4.38Å; Y223-Y277 HydrophobicContact CG-CD1 4.24Å; P224-Y277 HydrophobicContact CG-CE1 4.28Å; P224-Y277 HydrophobicContact CG-CE2 3.81Å; P224-Y277 WeakPolarHBondContact CG-OH 3.45Å; K274-Y277 PolarHBondContact O-N 3.14Å; K274-Y277 VanDerWaalsContact O-N 3.15Å; G275-Y277 VanDerWaalsContact C-N 3.26Å; G275-Y277 PolarHBondContact O-N 3.4Å; Y277-G279 PolarHBondContact O-N 3.21Å; Y277-F280 HydrophobicContact CD1-CD2 4.03Å; Y277-F280 HydrophobicContact CD1-CG 4.4Å; Y277-F280 VanDerWaalsContact O-CB 3.28Å; Y277-F280 WeakPolarHBondContact O-CB 3.47Å; Y277-F280 PolarHBondContact O-N 3.41Å
278K93.4Very high92.5Very high2 Ų249.9 Ų49.91%0.00924%0.244CC..THydrogen-bonded Turntrans-57.7129.4173.9-81-179.1169178.60111C37 Q38 N40 A41 A43 C46 Y223 E271 K274 G275 F280C37-K278 WeakPolarHBondContact O-CB 3.1Å; Q38-K278 WeakPolarHBondContact CG-O 3.33Å; N40-K278 PolarHBondContact O-NZ 3.41Å; A41-K278 PolarHBondContact O-NZ 3.17Å; A43-K278 PolarHBondContact O-NZ 3.3Å; C46-K278 HydrophobicContact CB-CG 3.97Å; C46-K278 CarbonylContact O-C 3.51Å; C46-K278 WeakPolarHBondContact O-CA 3.28Å; Y223-K278 WeakPolarHBondContact CE1-O 3.41Å; Y223-K278 PolarHBondContact OH-O 3.49Å; E271-K278 IonicContact OE1-NZ 3.27Å; E271-K278 VanDerWaalsContact OE2-CD 3.32Å; E271-K278 WeakPolarHBondContact OE2-CD 3.31Å; E271-K278 WeakPolarHBondContact OE2-CE 3.44Å; E271-K278 IonicContact OE2-NZ 3.29Å; E271-K278 PolarHBondContact OE2-NZ 2.89Å; K274-K278 PolarHBondContact O-N 2.83Å; G275-K278 WeakPolarHBondContact O-CB 3.38Å; G275-K278 WeakPolarHBondContact O-CG 3.34Å; G275-K278 PolarHBondContact O-N 3.39Å; K278-F280 VanDerWaalsContact C-N 3.31Å; K278-F280 PolarHBondContact O-N 2.99Å
279G92.5Very high92.3Very high0 Ų046.9 Ų46.90%024%0.236CC..THydrogen-bonded Turntrans786.7-179.900000115.5C46 H47 Y223 Y277 G281 A282C46-G279 PolarHBondContact O-N 3.46Å; H47-G279 CarbonylContact O-C 3.57Å; Y223-G279 PolarHBondContact OH-O 2.99Å; Y277-G279 PolarHBondContact O-N 3.21Å; G279-G281 PolarHBondContact O-N 3.31Å; G279-G281 VanDerWaalsContact O-N 3.14Å; G279-A282 WeakPolarHBondContact O-CB 3.46Å; G279-A282 PolarHBondContact O-N 3.42Å
280F94Very high91.7Very high43 Ų4342.1 Ų42.119%0.18921%0.21CC..Hα-helixtrans-58.2-29.3-179.7-172.8-97.6000112.5H47 A220 Y223 Y277 K278 A282 L283 V284H47-F280 PolarHBondContact O-N 2.82Å; A220-F280 HydrophobicContact CB-CE2 3.95Å; A220-F280 HydrophobicContact CB-CZ 4.03Å; Y223-F280 HydrophobicContact CD1-CD2 4.27Å; Y223-F280 AromaticContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CD2 3.65Å; Y223-F280 HydrophobicContact CD2-CE2 4.17Å; Y223-F280 HydrophobicContact CE1-CB 4.35Å; Y223-F280 HydrophobicContact CE1-CD2 4.45Å; Y223-F280 HydrophobicContact CE2-CB 4.46Å; Y223-F280 AromaticContact CE2-CD2 3.81Å; Y223-F280 HydrophobicContact CE2-CD2 3.81Å; Y223-F280 AromaticContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CD2 3.88Å; Y223-F280 HydrophobicContact CG-CE2 4.43Å; Y223-F280 PolarHBondContact OH-N 3.46Å; Y277-F280 HydrophobicContact CD1-CD2 4.03Å; Y277-F280 HydrophobicContact CD1-CG 4.4Å; Y277-F280 VanDerWaalsContact O-CB 3.28Å; Y277-F280 WeakPolarHBondContact O-CB 3.47Å; Y277-F280 PolarHBondContact O-N 3.41Å; K278-F280 VanDerWaalsContact C-N 3.31Å; K278-F280 PolarHBondContact O-N 2.99Å; F280-A282 PolarHBondContact O-N 2.89Å; F280-L283 HydrophobicContact CD2-CD2 3.98Å; F280-L283 HydrophobicContact CE2-CD2 3.72Å; F280-L283 WeakPolarHBondContact O-CB 3.28Å; F280-L283 PolarHBondContact O-N 3.15Å; F280-L283 VanDerWaalsContact O-N 3.11Å; F280-V284 HydrophobicContact CD1-CG2 3.78Å; F280-V284 HydrophobicContact CE1-CG2 3.44Å; F280-V284 VanDerWaalsContact CE1-CG2 3.44Å; F280-V284 HydrophobicContact CZ-CG2 4.17Å; F280-V284 PolarHBondContact O-N 2.95Å
281G93.7Very high91.3Very high0 Ų037.5 Ų37.50%019%0.19CC..Hα-helixtrans-59.9-32.3174.800000113.4H47 R48 G279 V284 L285H47-G281 WeakPolarHBondContact O-CA 3.34Å; H47-G281 PolarHBondContact O-N 2.76Å; R48-G281 WeakPolarHBondContact O-CA 3.41Å; R48-G281 PolarHBondContact O-N 2.84Å; G279-G281 PolarHBondContact O-N 3.31Å; G279-G281 VanDerWaalsContact O-N 3.14Å; G281-V284 PolarHBondContact O-N 2.91Å; G281-L285 WeakPolarHBondContact O-CB 3.47Å; G281-L285 PolarHBondContact O-N 3.49Å
282A93.2Very high91.2Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-71.7-35.9176.900000111.3L33 R34 L53 G279 F280 L285 Q286L33-A282 HydrophobicContact CB-CB 4.21Å; R34-A282 HydrophobicContact CB-CB 3.83Å; L53-A282 HydrophobicContact CD1-CB 3.64Å; G279-A282 WeakPolarHBondContact O-CB 3.46Å; G279-A282 PolarHBondContact O-N 3.42Å; F280-A282 PolarHBondContact O-N 2.89Å; A282-L285 PolarHBondContact O-N 3.38Å; A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 PolarHBondContact O-N 3.39Å
283L92.1Very high90.8Very high0 Ų041.9 Ų41.90%022%0.217CC..Hα-helixtrans-61.7-50171.4171.261.7000110.6L216 E219 Y223 F280 L285 Q286 Y287L216-L283 HydrophobicContact CD1-CG 4.32Å; E219-L283 HydrophobicContact CB-CD2 4.24Å; E219-L283 WeakPolarHBondContact OE2-CD1 3.3Å; Y223-L283 HydrophobicContact CD2-CD2 3.7Å; Y223-L283 HydrophobicContact CE2-CB 4.31Å; Y223-L283 HydrophobicContact CE2-CD2 3.84Å; F280-L283 HydrophobicContact CD2-CD2 3.98Å; F280-L283 HydrophobicContact CE2-CD2 3.72Å; F280-L283 WeakPolarHBondContact O-CB 3.28Å; F280-L283 PolarHBondContact O-N 3.15Å; F280-L283 VanDerWaalsContact O-N 3.11Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.47Å; L283-Q286 WeakPolarHBondContact O-CB 3.45Å; L283-Q286 PolarHBondContact O-N 3.26Å; L283-Y287 HydrophobicContact CD1-CD2 3.63Å; L283-Y287 HydrophobicContact CD1-CE2 3.28Å; L283-Y287 HydrophobicContact CG-CD2 4.44Å; L283-Y287 HydrophobicContact CG-CE2 4.41Å; L283-Y287 WeakPolarHBondContact O-CD2 3.44Å; L283-Y287 PolarHBondContact O-N 3.45Å
284V92.6Very high90.1Very high40 Ų4038.5 Ų38.524%0.24220%0.196CC..Hα-helixtrans-58.9-45.5177.6175.70000110.7P50 F280 G281 Q286 Y287 M288P50-V284 HydrophobicContact CG-CG1 4.31Å; F280-V284 HydrophobicContact CD1-CG2 3.78Å; F280-V284 HydrophobicContact CE1-CG2 3.44Å; F280-V284 VanDerWaalsContact CE1-CG2 3.44Å; F280-V284 HydrophobicContact CZ-CG2 4.17Å; F280-V284 PolarHBondContact O-N 2.95Å; G281-V284 PolarHBondContact O-N 2.91Å; V284-Q286 VanDerWaalsContact C-N 3.34Å; V284-Q286 PolarHBondContact O-N 3.16Å; V284-Y287 PolarHBondContact O-N 3.23Å; V284-M288 HydrophobicContact CG1-CG 4.17Å; V284-M288 VanDerWaalsContact O-CG 3.26Å; V284-M288 WeakPolarHBondContact O-CG 3.4Å; V284-M288 PolarHBondContact O-N 3.45Å
285L92.2Very high89.7Confident52 Ų5235.5 Ų35.527%0.27218%0.184SC..Hα-helixtrans-59-44178.6-173.357.8000112.4F30 P50 G281 A282 L283 Y287 M288 I289F30-L285 HydrophobicContact CD1-CB 4.27Å; F30-L285 HydrophobicContact CD1-CD2 4.01Å; F30-L285 HydrophobicContact CD1-CG 4.01Å; F30-L285 HydrophobicContact CE1-CB 4.4Å; F30-L285 HydrophobicContact CE1-CD2 3.66Å; F30-L285 HydrophobicContact CE1-CG 3.66Å; P50-L285 HydrophobicContact CB-CB 3.92Å; P50-L285 HydrophobicContact CB-CD1 4.19Å; G281-L285 WeakPolarHBondContact O-CB 3.47Å; G281-L285 PolarHBondContact O-N 3.49Å; A282-L285 PolarHBondContact O-N 3.38Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.47Å; L285-Y287 VanDerWaalsContact C-N 3.35Å; L285-Y287 PolarHBondContact O-N 3.34Å; L285-M288 PolarHBondContact O-N 2.99Å; L285-I289 HydrophobicContact CD1-CD1 4.07Å; L285-I289 HydrophobicContact CG-CD1 4.06Å; L285-I289 WeakPolarHBondContact O-CG1 3.25Å; L285-I289 PolarHBondContact O-N 3.39Å
286Q91.1Very high89.3Confident7 Ų736.8 Ų36.83%0.03320%0.198CC..Hα-helixtrans-55.2-50.4175.7-175.2-176.2-11.100111.3F30 A282 L283 V284 I289 H290F30-Q286 HydrophobicContact CB-CB 3.69Å; F30-Q286 HydrophobicContact CB-CG 4.05Å; F30-Q286 HydrophobicContact CD1-CB 4.43Å; F30-Q286 HydrophobicContact CD2-CB 4.04Å; F30-Q286 HydrophobicContact CD2-CG 3.98Å; F30-Q286 HydrophobicContact CG-CB 3.76Å; F30-Q286 HydrophobicContact CG-CG 4.16Å; A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 PolarHBondContact O-N 3.39Å; L283-Q286 WeakPolarHBondContact O-CB 3.45Å; L283-Q286 PolarHBondContact O-N 3.26Å; V284-Q286 VanDerWaalsContact C-N 3.34Å; V284-Q286 PolarHBondContact O-N 3.16Å; Q286-I289 PolarHBondContact O-N 3.33Å; Q286-H290 PolarHBondContact O-CD2 3.35Å; Q286-H290 PolarHBondContact O-N 3.28Å
287Y88.3Confident88.7Confident14 Ų1440.7 Ų40.76%0.05522%0.219CC..Hα-helixtrans-69.7-35.9-177.8-83.5-104.9000112.4V2 F212 N215 L216 E219 L283 V284 L285 I289 H290 L291V2-Y287 HydrophobicContact CG2-CE1 3.75Å; F212-Y287 HydrophobicContact CD1-CD1 4.05Å; F212-Y287 HydrophobicContact CD1-CE1 4.13Å; N215-Y287 PolarHBondContact ND2-OH 2.81Å; L216-Y287 HydrophobicContact CB-CD1 3.77Å; L216-Y287 HydrophobicContact CB-CE1 3.64Å; L216-Y287 HydrophobicContact CB-CG 4.43Å; L216-Y287 HydrophobicContact CD1-CD1 4.07Å; L216-Y287 HydrophobicContact CD1-CD2 3.93Å; L216-Y287 HydrophobicContact CD1-CE1 4.29Å; L216-Y287 HydrophobicContact CD1-CE2 4.18Å; L216-Y287 HydrophobicContact CD1-CG 3.85Å; L216-Y287 HydrophobicContact CD2-CD1 4.36Å; L216-Y287 HydrophobicContact CD2-CG 4.49Å; L216-Y287 HydrophobicContact CG-CD1 4.28Å; L216-Y287 HydrophobicContact CG-CE1 4.49Å; L216-Y287 HydrophobicContact CG-CG 4.48Å; E219-Y287 VanDerWaalsContact CD-OH 3.26Å; E219-Y287 PolarHBondContact OE1-OH 2.9Å; E219-Y287 VanDerWaalsContact OE1-OH 3.11Å; L283-Y287 HydrophobicContact CD1-CD2 3.63Å; L283-Y287 HydrophobicContact CD1-CE2 3.28Å; L283-Y287 HydrophobicContact CG-CD2 4.44Å; L283-Y287 HydrophobicContact CG-CE2 4.41Å; L283-Y287 WeakPolarHBondContact O-CD2 3.44Å; L283-Y287 PolarHBondContact O-N 3.45Å; V284-Y287 PolarHBondContact O-N 3.23Å; L285-Y287 VanDerWaalsContact C-N 3.35Å; L285-Y287 PolarHBondContact O-N 3.34Å; Y287-I289 VanDerWaalsContact C-N 3.3Å; Y287-I289 PolarHBondContact O-N 2.85Å; Y287-H290 PolarHBondContact O-N 3.38Å; Y287-L291 WeakPolarHBondContact O-CB 3.3Å; Y287-L291 PolarHBondContact O-N 2.89Å
288M89.8Confident87.9Confident115 Ų11541.6 Ų41.657%0.56722%0.222SC*.Hα-helixtrans-59.7-42.5173.7-71.5-62.3-68.400111.3V284 L285 A292V284-M288 HydrophobicContact CG1-CG 4.17Å; V284-M288 VanDerWaalsContact O-CG 3.26Å; V284-M288 WeakPolarHBondContact O-CG 3.4Å; V284-M288 PolarHBondContact O-N 3.45Å; L285-M288 PolarHBondContact O-N 2.99Å; M288-A292 VanDerWaalsContact O-CB 3.28Å; M288-A292 WeakPolarHBondContact O-CB 3.3Å; M288-A292 PolarHBondContact O-N 2.99Å
289I90.1Very high87.3Confident75 Ų7548.9 Ų48.939%0.38525%0.254SS..Hα-helixtrans-70.4-44.5178.4-70.3167.3000111.3F30 L285 Q286 Y287 L291 A292 L293F30-I289 HydrophobicContact CE1-CD1 3.62Å; F30-I289 HydrophobicContact CE2-CD1 4.03Å; F30-I289 HydrophobicContact CZ-CD1 3.18Å; F30-I289 HydrophobicContact CZ-CG1 4.5Å; L285-I289 HydrophobicContact CD1-CD1 4.07Å; L285-I289 HydrophobicContact CG-CD1 4.06Å; L285-I289 WeakPolarHBondContact O-CG1 3.25Å; L285-I289 PolarHBondContact O-N 3.39Å; Q286-I289 PolarHBondContact O-N 3.33Å; Y287-I289 VanDerWaalsContact C-N 3.3Å; Y287-I289 PolarHBondContact O-N 2.85Å; I289-L291 VanDerWaalsContact C-N 3.29Å; I289-L291 PolarHBondContact O-N 2.89Å; I289-A292 PolarHBondContact O-N 3.37Å; I289-L293 WeakPolarHBondContact O-CB 3.37Å; I289-L293 PolarHBondContact O-N 3.25Å
290H83.3Confident86.9Confident17 Ų1753.7 Ų53.78%0.07928%0.278CS..Hα-helixtrans-59.4-43.3175.4-77.4-144000111F212 Q286 Y287 L293 V294F212-H290 HydrophobicContact CE1-CB 3.8Å; F212-H290 AromaticContact CE1-ND1 3.85Å; F212-H290 HydrophobicContact CZ-CB 4.17Å; Q286-H290 PolarHBondContact O-CD2 3.35Å; Q286-H290 PolarHBondContact O-N 3.28Å; Y287-H290 PolarHBondContact O-N 3.38Å; H290-L293 PolarHBondContact O-N 2.61Å; H290-V294 VanDerWaalsContact O-CG2 3.3Å; H290-V294 WeakPolarHBondContact O-CG2 3.42Å; H290-V294 PolarHBondContact O-N 2.85Å
291L84.4Confident86.2Confident46 Ų4657.9 Ų57.924%0.24130%0.296CS..Hα-helixtrans-65.6-43.2177.9-171.962.8000111.5F209 Y287 I289 L293 V294 H295F209-L291 HydrophobicContact CD2-CD1 3.8Å; F209-L291 HydrophobicContact CE2-CD1 4.06Å; F209-L291 HydrophobicContact CE2-CD2 4.4Å; Y287-L291 WeakPolarHBondContact O-CB 3.3Å; Y287-L291 PolarHBondContact O-N 2.89Å; I289-L291 VanDerWaalsContact C-N 3.29Å; I289-L291 PolarHBondContact O-N 2.89Å; L291-L293 VanDerWaalsContact C-N 3.35Å; L291-V294 PolarHBondContact O-N 2.6Å; L291-H295 WeakPolarHBondContact CD1-CE1 3.37Å; L291-H295 VanDerWaalsContact CG-CE1 3.48Å; L291-H295 WeakPolarHBondContact CG-CE1 3.14Å; L291-H295 WeakPolarHBondContact O-CB 3.15Å; L291-H295 PolarHBondContact O-N 2.81Å; L291-H295 PolarHBondContact O-ND1 3.45Å
292A88.1Confident85.5Confident63 Ų6360.1 Ų60.152%0.52131%0.308SS..Hα-helixtrans-61.9-41.8175.500000111.8M288 I289 H295 G296M288-A292 VanDerWaalsContact O-CB 3.28Å; M288-A292 WeakPolarHBondContact O-CB 3.3Å; M288-A292 PolarHBondContact O-N 2.99Å; I289-A292 PolarHBondContact O-N 3.37Å; A292-H295 PolarHBondContact O-N 3.28Å; A292-G296 PolarHBondContact O-N 3.07Å
293L85.7Confident85.1Confident88 Ų8864.9 Ų64.946%0.46133%0.33SS..Hα-helixtrans-60.9-48.8175.8-176.868.4000111.1L26 I289 H290 L291 H295 G296 L297L26-L293 HydrophobicContact CD1-CD2 4.29Å; I289-L293 WeakPolarHBondContact O-CB 3.37Å; I289-L293 PolarHBondContact O-N 3.25Å; H290-L293 PolarHBondContact O-N 2.61Å; L291-L293 VanDerWaalsContact C-N 3.35Å; L293-H295 PolarHBondContact O-N 3.4Å; L293-G296 PolarHBondContact O-N 3.3Å; L293-L297 HydrophobicContact CG-CD1 4.14Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 VanDerWaalsContact O-CG 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.3Å; L293-L297 PolarHBondContact O-N 2.8Å
294V77.6Confident84.7Confident20 Ų2070 Ų7012%0.12136%0.357CS..Hα-helixtrans-61.7-43.8177.7171.60000111.4F4 F205 V208 F212 H290 L291 G296 R298F4-V294 HydrophobicContact CZ-CG2 4.11Å; F205-V294 HydrophobicContact CE2-CG1 4.06Å; V208-V294 HydrophobicContact CG1-CG1 3.77Å; V208-V294 HydrophobicContact CG1-CG2 4.11Å; F212-V294 HydrophobicContact CE2-CG2 3.88Å; F212-V294 HydrophobicContact CZ-CG2 4.34Å; H290-V294 VanDerWaalsContact O-CG2 3.3Å; H290-V294 WeakPolarHBondContact O-CG2 3.42Å; H290-V294 PolarHBondContact O-N 2.85Å; L291-V294 PolarHBondContact O-N 2.6Å; V294-G296 VanDerWaalsContact C-N 3.35Å; V294-R298 WeakPolarHBondContact O-CB 3.15Å; V294-R298 PolarHBondContact O-N 3.05Å
295H82.1Confident84.2Confident59 Ų5973.1 Ų73.127%0.27337%0.369SS..Hα-helixtrans-64.7-38.8175.6-79.289.2000112.4F205 L291 A292 L293 R298 K299F205-H295 AromaticContact CZ-CD2 3.7Å; F205-H295 AromaticContact CZ-CE1 3.62Å; F205-H295 AromaticContact CZ-NE2 3.36Å; F205-H295 WeakPolarHBondContact CZ-NE2 3.45Å; L291-H295 WeakPolarHBondContact CD1-CE1 3.37Å; L291-H295 VanDerWaalsContact CG-CE1 3.48Å; L291-H295 WeakPolarHBondContact CG-CE1 3.14Å; L291-H295 WeakPolarHBondContact O-CB 3.15Å; L291-H295 PolarHBondContact O-N 2.81Å; L291-H295 PolarHBondContact O-ND1 3.45Å; A292-H295 PolarHBondContact O-N 3.28Å; L293-H295 PolarHBondContact O-N 3.4Å; H295-R298 PolarHBondContact O-N 3.37Å; H295-K299 WeakPolarHBondContact O-CG 3.4Å; H295-K299 PolarHBondContact O-N 3.08Å
296G83.4Confident83.9Confident28 Ų2878.3 Ų78.329%0.28939%0.385SS..Hα-helixtrans-63.5-51.9176.400000111.6A292 L293 V294 R298 K299 I300A292-G296 PolarHBondContact O-N 3.07Å; L293-G296 PolarHBondContact O-N 3.3Å; V294-G296 VanDerWaalsContact C-N 3.35Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 3.41Å; G296-K299 PolarHBondContact O-N 3.26Å; G296-K299 VanDerWaalsContact O-N 3.1Å; G296-I300 WeakPolarHBondContact O-CG1 3.1Å; G296-I300 PolarHBondContact O-N 2.77Å
297L81.1Confident83.5Confident104 Ų10480.9 Ų80.955%0.54540%0.399SS..Hα-helixtrans-56.3-41.2174.9-70.9172.7000111.6L293 I300 F301L293-L297 HydrophobicContact CG-CD1 4.14Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 VanDerWaalsContact O-CG 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.3Å; L293-L297 PolarHBondContact O-N 2.8Å; L297-I300 PolarHBondContact O-N 3.17Å; L297-F301 WeakPolarHBondContact O-CB 3.46Å; L297-F301 PolarHBondContact O-N 3.47Å
298R76.7Confident83.2Confident101 Ų10188.2 Ų88.238%0.38143%0.431SS..Hα-helixtrans-60.3-48.6174.4-173-173.990.6174.46.5112.2F205 V294 H295 G296 I300 F301 L302F205-R298 HydrophobicContact CD2-CG 4.33Å; F205-R298 VanDerWaalsContact CE1-NH1 3.25Å; V294-R298 WeakPolarHBondContact O-CB 3.15Å; V294-R298 PolarHBondContact O-N 3.05Å; H295-R298 PolarHBondContact O-N 3.37Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 3.41Å; R298-I300 VanDerWaalsContact C-N 3.29Å; R298-I300 PolarHBondContact O-N 3.04Å; R298-F301 PolarHBondContact O-N 3.25Å; R298-L302 HydrophobicContact CG-CD1 3.98Å; R298-L302 HydrophobicContact CG-CG 4.4Å; R298-L302 WeakPolarHBondContact O-CB 3.38Å; R298-L302 VanDerWaalsContact O-CG 3.3Å; R298-L302 WeakPolarHBondContact O-CG 3.23Å; R298-L302 PolarHBondContact O-N 2.76Å
299K80.8Confident82.8Confident155 Ų15586.1 Ų86.167%0.67443%0.428SS*.Hα-helixtrans-60-42.1179-77.4-175.6177.1-175.70111.2H295 G296 H303H295-K299 WeakPolarHBondContact O-CG 3.4Å; H295-K299 PolarHBondContact O-N 3.08Å; G296-K299 PolarHBondContact O-N 3.26Å; G296-K299 VanDerWaalsContact O-N 3.1Å; K299-H303 WeakPolarHBondContact O-CB 3.43Å; K299-H303 PolarHBondContact O-N 3.44Å
300I83.8Confident82.4Confident100 Ų10085.4 Ų85.451%0.51343%0.429SS..Hα-helixtrans-63.8-49.7177.5-66.1165.2000110.4G296 L297 R298 L302 H303 L304G296-I300 WeakPolarHBondContact O-CG1 3.1Å; G296-I300 PolarHBondContact O-N 2.77Å; L297-I300 PolarHBondContact O-N 3.17Å; R298-I300 VanDerWaalsContact C-N 3.29Å; R298-I300 PolarHBondContact O-N 3.04Å; I300-L302 PolarHBondContact O-N 3.2Å; I300-H303 WeakPolarHBondContact O-CB 3.48Å; I300-H303 PolarHBondContact O-N 2.92Å; I300-H303 VanDerWaalsContact O-N 3.13Å; I300-L304 HydrophobicContact CG2-CD1 4.05Å; I300-L304 HydrophobicContact CG2-CG 4.42Å; I300-L304 WeakPolarHBondContact O-CG 2.93Å; I300-L304 PolarHBondContact O-N 3.29Å
301F80.6Confident82.2Confident131 Ų13189.3 Ų89.358%0.57545%0.451SS*.Hα-helixtrans-58.3-47.2179.6-176.5-92.1000112.2L297 R298 H303 L304 E305L297-F301 WeakPolarHBondContact O-CB 3.46Å; L297-F301 PolarHBondContact O-N 3.47Å; R298-F301 PolarHBondContact O-N 3.25Å; F301-H303 VanDerWaalsContact C-N 3.28Å; F301-H303 PolarHBondContact O-N 2.84Å; F301-L304 PolarHBondContact O-N 2.94Å; F301-E305 WeakPolarHBondContact O-CB 3.35Å; F301-E305 PolarHBondContact O-N 3.5Å
302L78.7Confident81.9Confident47 Ų4790.1 Ų90.125%0.24646%0.46CS..Hα-helixtrans-65.2-32177.6-68.4175.2000112.7F201 R298 I300 R306F201-L302 HydrophobicContact CZ-CD2 3.73Å; R298-L302 HydrophobicContact CG-CD1 3.98Å; R298-L302 HydrophobicContact CG-CG 4.4Å; R298-L302 WeakPolarHBondContact O-CB 3.38Å; R298-L302 VanDerWaalsContact O-CG 3.3Å; R298-L302 WeakPolarHBondContact O-CG 3.23Å; R298-L302 PolarHBondContact O-N 2.76Å; I300-L302 PolarHBondContact O-N 3.2Å; L302-R306 VanDerWaalsContact O-CB 3.28Å; L302-R306 WeakPolarHBondContact O-CB 3.16Å; L302-R306 PolarHBondContact O-N 3.29Å
303H84.6Confident81.5Confident101 Ų10191.2 Ų91.247%0.46846%0.46SS..Hα-helixtrans-68.7-42.4174.4-171.471.1000111.2K299 I300 F301 R306 N307K299-H303 WeakPolarHBondContact O-CB 3.43Å; K299-H303 PolarHBondContact O-N 3.44Å; I300-H303 WeakPolarHBondContact O-CB 3.48Å; I300-H303 PolarHBondContact O-N 2.92Å; I300-H303 VanDerWaalsContact O-N 3.13Å; F301-H303 VanDerWaalsContact C-N 3.28Å; F301-H303 PolarHBondContact O-N 2.84Å; H303-R306 PolarHBondContact O-N 3.46Å; H303-N307 PolarHBondContact CD2-ND2 3.37Å; H303-N307 PolarHBondContact NE2-ND2 2.89Å; H303-N307 WeakPolarHBondContact O-CB 3.42Å; H303-N307 PolarHBondContact O-N 3.24Å; H303-N307 PolarHBondContact O-ND2 3.23Å; H303-N307 PolarHBondContact O-OD1 2.91Å
304L84.5Confident81.3Confident106 Ų10691.6 Ų91.656%0.55546%0.46SS*.Hα-helixtrans-65.6-42.5176-67.1174000112.4I300 F301 N307 K308I300-L304 HydrophobicContact CG2-CD1 4.05Å; I300-L304 HydrophobicContact CG2-CG 4.42Å; I300-L304 WeakPolarHBondContact O-CG 2.93Å; I300-L304 PolarHBondContact O-N 3.29Å; F301-L304 PolarHBondContact O-N 2.94Å; L304-N307 PolarHBondContact O-N 3.25Å; L304-K308 PolarHBondContact O-N 2.95Å
305E82Confident81.4Confident106 Ų10696.8 Ų96.850%0.49548%0.483SS..Hα-helixtrans-64.2-42.5177.5-173.7172.1-158.400111.6F301 K308 S309F301-E305 WeakPolarHBondContact O-CB 3.35Å; F301-E305 PolarHBondContact O-N 3.5Å; E305-K308 PolarHBondContact O-N 3.35Å; E305-S309 PolarHBondContact O-N 2.87Å
306R84.3Confident81.3Confident161 Ų16197.3 Ų97.361%0.60849%0.493SS*.Hα-helixtrans-60.2-46.6173.7-172.7-176-59.7155.41.8111.6L302 H303 K308 S309 S310L302-R306 VanDerWaalsContact O-CB 3.28Å; L302-R306 WeakPolarHBondContact O-CB 3.16Å; L302-R306 PolarHBondContact O-N 3.29Å; H303-R306 PolarHBondContact O-N 3.46Å; R306-K308 VanDerWaalsContact C-N 3.34Å; R306-K308 PolarHBondContact O-N 2.95Å; R306-S309 PolarHBondContact O-N 3.3Å; R306-S310 PolarHBondContact O-N 2.88Å; R306-S310 PolarHBondContact O-OG 2.81Å
307N84.2Confident81.2Confident62 Ų62100 Ų10033%0.33250%0.504SS..Hα-helixtrans-64.5-37.7179.6-67.6-7.4000111.8H303 L304 S310 N311H303-N307 PolarHBondContact CD2-ND2 3.37Å; H303-N307 PolarHBondContact NE2-ND2 2.89Å; H303-N307 WeakPolarHBondContact O-CB 3.42Å; H303-N307 PolarHBondContact O-N 3.24Å; H303-N307 PolarHBondContact O-ND2 3.23Å; H303-N307 PolarHBondContact O-OD1 2.91Å; L304-N307 PolarHBondContact O-N 3.25Å; N307-S310 PolarHBondContact O-N 3.45Å; N307-N311 WeakPolarHBondContact O-CB 3.49Å; N307-N311 VanDerWaalsContact O-CG 3.28Å; N307-N311 PolarHBondContact O-N 3.26Å; N307-N311 PolarHBondContact O-OD1 2.83Å
308K82.5Confident81.3Confident167 Ų167102.9 Ų102.973%0.72651%0.508SS*.Hα-helixtrans-63.5-43.1174.9-171.1176.7-178.9179.80111.9L304 E305 R306 N311 S312L304-K308 PolarHBondContact O-N 2.95Å; E305-K308 PolarHBondContact O-N 3.35Å; R306-K308 VanDerWaalsContact C-N 3.34Å; R306-K308 PolarHBondContact O-N 2.95Å; K308-N311 PolarHBondContact O-N 2.97Å; K308-S312 PolarHBondContact O-N 3.28Å; K308-S312 VanDerWaalsContact O-N 3.07Å; K308-S312 PolarHBondContact O-OG 2.8Å
309S81.1Confident81.6Confident71 Ų71102.7 Ų102.750%0.49751%0.514SS..Hα-helixtrans-66-40.5177.3-167.90000112E305 R306 S312 V313E305-S309 PolarHBondContact O-N 2.87Å; R306-S309 PolarHBondContact O-N 3.3Å; S309-S312 WeakPolarHBondContact CA-OG 3.35Å; S309-S312 PolarHBondContact O-N 3.4Å; S309-S312 PolarHBondContact O-OG 3.48Å; S309-V313 WeakPolarHBondContact O-CG2 3.19Å; S309-V313 PolarHBondContact O-N 2.93Å
310S80.8Confident81.5Confident60 Ų6099 Ų9942%0.4251%0.505SS..Hα-helixtrans-62.5-45.8175.1-690000111.9R306 N307 S312 V313 E314R306-S310 PolarHBondContact O-N 2.88Å; R306-S310 PolarHBondContact O-OG 2.81Å; N307-S310 PolarHBondContact O-N 3.45Å; S310-S312 PolarHBondContact O-N 2.75Å; S310-V313 PolarHBondContact O-N 3.44Å; S310-E314 PolarHBondContact O-N 2.95Å
311N79Confident81.4Confident99 Ų99102 Ų10253%0.52951%0.514SS..Hα-helixtrans-62.4-40.8178.2-71.1-4.5000112.2N307 K308 V313 E314 E315N307-N311 WeakPolarHBondContact O-CB 3.49Å; N307-N311 VanDerWaalsContact O-CG 3.28Å; N307-N311 PolarHBondContact O-N 3.26Å; N307-N311 PolarHBondContact O-OD1 2.83Å; K308-N311 PolarHBondContact O-N 2.97Å; N311-V313 VanDerWaalsContact C-N 3.32Å; N311-V313 PolarHBondContact O-N 2.75Å; N311-E314 PolarHBondContact O-N 3.02Å; N311-E315 WeakPolarHBondContact O-CB 3.42Å; N311-E315 PolarHBondContact O-N 3.41Å
312S79.1Confident81.5Confident63 Ų6398.5 Ų98.544%0.44151%0.506SS..Hα-helixtrans-65.9-31.9177.658.80000113.7K308 S309 S310 S316K308-S312 PolarHBondContact O-N 3.28Å; K308-S312 VanDerWaalsContact O-N 3.07Å; K308-S312 PolarHBondContact O-OG 2.8Å; S309-S312 WeakPolarHBondContact CA-OG 3.35Å; S309-S312 PolarHBondContact O-N 3.4Å; S309-S312 PolarHBondContact O-OG 3.48Å; S310-S312 PolarHBondContact O-N 2.75Å; S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.06Å; S312-S316 VanDerWaalsContact O-N 3.13Å
313V79.1Confident81.4Confident86 Ų8699 Ų9952%0.52152%0.517SS..Hα-helixtrans-75.6-41176.9172.50000110.6S309 S310 N311 T317S309-V313 WeakPolarHBondContact O-CG2 3.19Å; S309-V313 PolarHBondContact O-N 2.93Å; S310-V313 PolarHBondContact O-N 3.44Å; N311-V313 VanDerWaalsContact C-N 3.32Å; N311-V313 PolarHBondContact O-N 2.75Å; V313-T317 WeakPolarHBondContact O-CB 3.08Å; V313-T317 PolarHBondContact O-N 3.25Å; V313-T317 PolarHBondContact O-OG1 2.91Å
314E81.3Confident80.9Confident97 Ų97101.2 Ų101.245%0.45353%0.526SS..Hα-helixtrans-62.6-42.7174.5-77.1-170.4-176.600112.1S310 N311 T317 R318S310-E314 PolarHBondContact O-N 2.95Å; N311-E314 PolarHBondContact O-N 3.02Å; E314-T317 PolarHBondContact O-N 3.15Å; E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3.43Å; E314-R318 IonicContact OE2-NH2 3.2Å; E314-R318 PolarHBondContact OE2-NH2 3.39Å
315E80Confident80.7Confident128 Ų12899.6 Ų99.660%0.59852%0.523SS*.Hα-helixtrans-63.1-48.9178.2-164.8164.7-152.700111N311 T317 R318 D319N311-E315 WeakPolarHBondContact O-CB 3.42Å; N311-E315 PolarHBondContact O-N 3.41Å; E315-T317 VanDerWaalsContact C-N 3.3Å; E315-T317 PolarHBondContact O-N 3.45Å; E315-R318 PolarHBondContact O-N 2.85Å; E315-R318 VanDerWaalsContact O-N 3.15Å; E315-D319 PolarHBondContact O-N 3.2Å
316S79.7Confident80.7Confident70 Ų7099.3 Ų99.349%0.4953%0.525SS..Hα-helixtrans-60.7-37.6175.2-177.90000112.8S312 D319 V320S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.06Å; S312-S316 VanDerWaalsContact O-N 3.13Å; S316-D319 PolarHBondContact O-N 3.48Å; S316-V320 WeakPolarHBondContact O-CG2 3.35Å; S316-V320 PolarHBondContact O-N 3.23Å; S316-V320 VanDerWaalsContact O-N 3.1Å
317T81.6Confident80.1Confident85 Ų8594.2 Ų94.252%0.52152%0.518SS..Hα-helixtrans-67.6-38.8177.2-54.20000111.7V313 E314 E315 F321V313-T317 WeakPolarHBondContact O-CB 3.08Å; V313-T317 PolarHBondContact O-N 3.25Å; V313-T317 PolarHBondContact O-OG1 2.91Å; E314-T317 PolarHBondContact O-N 3.15Å; E315-T317 VanDerWaalsContact C-N 3.3Å; E315-T317 PolarHBondContact O-N 3.45Å; T317-F321 PolarHBondContact O-N 3.34Å
318R83.7Confident79.5Confident165 Ų165100.9 Ų100.962%0.62354%0.538SS*.Hα-helixtrans-64.7-40.9174.9-74.4178.4-170147.313.7111.5E314 E315 F321 S322E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3.43Å; E314-R318 IonicContact OE2-NH2 3.2Å; E314-R318 PolarHBondContact OE2-NH2 3.39Å; E315-R318 PolarHBondContact O-N 2.85Å; E315-R318 VanDerWaalsContact O-N 3.15Å; R318-F321 PolarHBondContact O-N 2.76Å; R318-S322 WeakPolarHBondContact O-CB 3.46Å; R318-S322 PolarHBondContact O-N 2.78Å; R318-S322 PolarHBondContact O-OG 3.46Å
319D82Confident79.1Confident97 Ų9795.9 Ų95.952%0.51952%0.524SS..Hα-helixtrans-61.8-46.4177.2-67.9-18.2000111.4E315 S316 F321 S322 A323E315-D319 PolarHBondContact O-N 3.2Å; S316-D319 PolarHBondContact O-N 3.48Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 3.43Å; D319-S322 PolarHBondContact O-N 2.84Å; D319-S322 PolarHBondContact O-OG 3.2Å; D319-A323 PolarHBondContact O-N 2.74Å
320V78.2Confident78.3Confident78 Ų7898.2 Ų98.247%0.47353%0.53SS..Hα-helixtrans-59.5-44.8175.31760000111.1S316 S322 A323 F324S316-V320 WeakPolarHBondContact O-CG2 3.35Å; S316-V320 PolarHBondContact O-N 3.23Å; S316-V320 VanDerWaalsContact O-N 3.1Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 2.93Å; V320-A323 PolarHBondContact O-N 3.26Å; V320-F324 HydrophobicContact CG1-CD2 3.75Å; V320-F324 HydrophobicContact CG1-CE2 3.87Å; V320-F324 WeakPolarHBondContact O-CD2 3.32Å; V320-F324 PolarHBondContact O-N 3.45Å
321F81.6Confident77.2Confident162 Ų162101.5 Ų101.571%0.71154%0.539SS*.Hα-helixtrans-65.5-38.2-179.6-151.6-89.7000112.4T317 R318 D319 F324 S325T317-F321 PolarHBondContact O-N 3.34Å; R318-F321 PolarHBondContact O-N 2.76Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 3.43Å; F321-F324 PolarHBondContact O-N 2.99Å; F321-S325 WeakPolarHBondContact O-CB 3.48Å; F321-S325 PolarHBondContact O-N 3.26Å
322S82.8Confident76.1Confident57 Ų57100.5 Ų100.540%0.39954%0.54SS..Hα-helixtrans-64.3-45.5174.972.30000111.9R318 D319 V320 F324 S325 D326R318-S322 WeakPolarHBondContact O-CB 3.46Å; R318-S322 PolarHBondContact O-N 2.78Å; R318-S322 PolarHBondContact O-OG 3.46Å; D319-S322 PolarHBondContact O-N 2.84Å; D319-S322 PolarHBondContact O-OG 3.2Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 2.93Å; S322-F324 VanDerWaalsContact C-N 3.33Å; S322-F324 PolarHBondContact O-N 3.23Å; S322-S325 WeakPolarHBondContact O-CB 3.22Å; S322-S325 PolarHBondContact O-N 3.32Å; S322-S325 VanDerWaalsContact O-N 3.12Å; S322-D326 PolarHBondContact O-N 3.26Å
323A77.9Confident75Confident59 Ų59101.2 Ų101.249%0.48855%0.545SS..Hα-helixtrans-62.2-38.917700000112.5D319 V320 A327D319-A323 PolarHBondContact O-N 2.74Å; V320-A323 PolarHBondContact O-N 3.26Å; A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.4Å
324F73.8Confident73.7Confident146 Ų146100.2 Ų100.264%0.6454%0.542SS*.Hα-helixtrans-66.7-38.6174-95.6-79.5000112.7V320 F321 S322 R328V320-F324 HydrophobicContact CG1-CD2 3.75Å; V320-F324 HydrophobicContact CG1-CE2 3.87Å; V320-F324 WeakPolarHBondContact O-CD2 3.32Å; V320-F324 PolarHBondContact O-N 3.45Å; F321-F324 PolarHBondContact O-N 2.99Å; S322-F324 VanDerWaalsContact C-N 3.33Å; S322-F324 PolarHBondContact O-N 3.23Å; F324-R328 WeakPolarHBondContact O-CB 3.18Å; F324-R328 PolarHBondContact O-N 3.03Å; F324-R328 VanDerWaalsContact O-N 3.12Å
325S80.4Confident72.2Confident73 Ų73102.2 Ų102.251%0.5155%0.551SS.*Hα-helixtrans-64.9-44.7176.2-1740000111.5F321 S322 R328 S329F321-S325 WeakPolarHBondContact O-CB 3.48Å; F321-S325 PolarHBondContact O-N 3.26Å; S322-S325 WeakPolarHBondContact O-CB 3.22Å; S322-S325 PolarHBondContact O-N 3.32Å; S322-S325 VanDerWaalsContact O-N 3.12Å; S325-R328 PolarHBondContact O-N 3.43Å; S325-S329 PolarHBondContact O-N 3.47Å
326D81.4Confident70.8Confident100 Ų100103.6 Ų103.654%0.53556%0.557SS.*Hα-helixtrans-64.3-44.3178.7-70.8-11.6000111.4S322 R328 S329 L330S322-D326 PolarHBondContact O-N 3.26Å; D326-R328 VanDerWaalsContact C-N 3.31Å; D326-R328 PolarHBondContact O-N 3.14Å; D326-S329 PolarHBondContact O-N 3.28Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 2.78Å; D326-L330 PolarHBondContact O-N 3.03Å
327A71.5Confident69.3Low54 Ų54108.1 Ų108.145%0.44657%0.568SS.*Hα-helixtrans-59.9-40.4175.700000112.4A323 L330 Q331A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.4Å; A327-L330 PolarHBondContact O-N 3.25Å; A327-Q331 PolarHBondContact O-N 2.75Å; A327-Q331 VanDerWaalsContact O-N 3.1Å
328R73Confident67.8Low201 Ų201113.3 Ų113.376%0.75858%0.584SS**Hα-helixtrans-66.4-37176.6-168.2179.5-74-178.1-2.7111.8F324 S325 D326 Q331 S332F324-R328 WeakPolarHBondContact O-CB 3.18Å; F324-R328 PolarHBondContact O-N 3.03Å; F324-R328 VanDerWaalsContact O-N 3.12Å; S325-R328 PolarHBondContact O-N 3.43Å; D326-R328 VanDerWaalsContact C-N 3.31Å; D326-R328 PolarHBondContact O-N 3.14Å; R328-Q331 PolarHBondContact O-N 2.82Å; R328-S332 PolarHBondContact O-N 2.83Å; R328-S332 VanDerWaalsContact O-N 3.09Å
329S73Confident66.1Low62 Ų62112.1 Ų112.143%0.43459%0.59SS.*Hα-helixtrans-67.3-36.4176.8790000113.1S325 D326 S333S325-S329 PolarHBondContact O-N 3.47Å; D326-S329 PolarHBondContact O-N 3.28Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 2.78Å; S329-S333 PolarHBondContact O-N 2.75Å; S329-S333 VanDerWaalsContact O-N 3.1Å; S329-S333 PolarHBondContact O-OG 2.77Å
330L64.4Low64.4Low120 Ų120117.8 Ų117.863%0.62860%0.604SS**Hα-helixtrans-69.3-40.5175.8-72.8171.5000111.9D326 A327 S332 S333 S334D326-L330 PolarHBondContact O-N 3.03Å; A327-L330 PolarHBondContact O-N 3.25Å; L330-S332 VanDerWaalsContact C-N 3.34Å; L330-S333 PolarHBondContact O-N 2.84Å; L330-S333 VanDerWaalsContact O-N 3.16Å; L330-S334 PolarHBondContact O-N 3.44Å; L330-S334 PolarHBondContact O-OG 3.35Å
331Q57.2Low63Low129 Ų129119.5 Ų119.560%0.60362%0.617SS**Hα-helixtrans-67.4-35177.1-164.7165.2-5.700112.1A327 R328 S333 S334 H335A327-Q331 PolarHBondContact O-N 2.75Å; A327-Q331 VanDerWaalsContact O-N 3.1Å; R328-Q331 PolarHBondContact O-N 2.82Å; Q331-S333 VanDerWaalsContact C-N 3.32Å; Q331-S334 WeakPolarHBondContact CA-OG 3.36Å; Q331-S334 PolarHBondContact O-OG 3.49Å; Q331-S334 VanDerWaalsContact O-OG 3.08Å; Q331-H335 PolarHBondContact O-CD2 3.06Å; Q331-H335 VanDerWaalsContact O-CD2 3.3Å; Q331-H335 PolarHBondContact O-N 2.96Å
332S56.9Low61.7Low79 Ų79116.4 Ų116.455%0.55262%0.621SS**Hα-helixtrans-66.7-32.5171.2-176.20000112.8R328 L330R328-S332 PolarHBondContact O-N 2.83Å; R328-S332 VanDerWaalsContact O-N 3.09Å; L330-S332 VanDerWaalsContact C-N 3.34Å
333S56.4Low60.3Low77 Ų77119.9 Ų119.954%0.53864%0.639SS.*Hα-helixtrans-80.2-34.4179.8-630000112.5S329 L330 Q331 H336 F337S329-S333 PolarHBondContact O-N 2.75Å; S329-S333 VanDerWaalsContact O-N 3.1Å; S329-S333 PolarHBondContact O-OG 2.77Å; L330-S333 PolarHBondContact O-N 2.84Å; L330-S333 VanDerWaalsContact O-N 3.16Å; Q331-S333 VanDerWaalsContact C-N 3.32Å; S333-H336 PolarHBondContact O-N 3.37Å; S333-H336 VanDerWaalsContact O-N 3.16Å; S333-F337 PolarHBondContact O-N 3.31Å
334S51.5Low58.9Low66 Ų66125 Ų12546%0.46266%0.658SS.*Hα-helixtrans-70-31.6178.657.10000112.8L330 Q331 H336 F337L330-S334 PolarHBondContact O-N 3.44Å; L330-S334 PolarHBondContact O-OG 3.35Å; Q331-S334 WeakPolarHBondContact CA-OG 3.36Å; Q331-S334 PolarHBondContact O-OG 3.49Å; Q331-S334 VanDerWaalsContact O-OG 3.08Å; S334-H336 PolarHBondContact O-N 3.07Å; S334-F337 PolarHBondContact O-N 2.96Å
335H50.2Low57.3Low139 Ų139131 Ų13164%0.64468%0.683SS**Hα-helixtrans-66.4-23.1170.7-85.6-72.1000113.4Q331Q331-H335 PolarHBondContact O-CD2 3.06Å; Q331-H335 VanDerWaalsContact O-CD2 3.3Å; Q331-H335 PolarHBondContact O-N 2.96Å
336H50.1Low56.2Low157 Ų157133.9 Ų133.973%0.72769%0.692SS**Hα-helixtrans-88.5-14.4174.9-101.4-64.3000114.3S333 S334S333-H336 PolarHBondContact O-N 3.37Å; S333-H336 VanDerWaalsContact O-N 3.16Å; S334-H336 PolarHBondContact O-N 3.07Å
337F48.1Very low54.8Low165 Ų165135.6 Ų135.672%0.72470%0.7SS**Hα-helixtrans-88.8-20.7-177.1-163-99.5000113.6S333 S334S333-F337 PolarHBondContact O-N 3.31Å; S334-F337 PolarHBondContact O-N 2.96Å
338F49.1Very low53.9Low194 Ų194140.2 Ų140.285%0.85171%0.714SS**THydrogen-bonded Turntrans-83.5-6.1-179.5-110.9-87000115.2
339D48.4Very low52.8Low139 Ų139136.6 Ų136.674%0.74371%0.712SS**THydrogen-bonded Turntrans-95.817.1179.3-92.6-19.7000114.3P341D339-P341 VanDerWaalsContact O-CD 3.3Å; D339-P341 WeakPolarHBondContact O-CD 3.25Å
340R47.4Very low51.5Low216 Ų216141.3 Ų141.382%0.81573%0.729SS**  trans-94.1110169-81.3-166.2-174-1533.1111A342R340-A342 PolarHBondContact O-N 3.38Å
341P49Very low50.7Low115 Ų115142.7 Ų142.775%0.74774%0.736SS**  trans-66.6119.2171.126.4-31.4000109.5D339 V343D339-P341 VanDerWaalsContact O-CD 3.3Å; D339-P341 WeakPolarHBondContact O-CD 3.25Å; P341-V343 PolarHBondContact O-N 3.05Å; P341-V343 VanDerWaalsContact O-N 3.1Å
342A53.3Low50.2Low96 Ų96143.6 Ų143.679%0.79375%0.746SS**  trans-68.8102.7169.900000109.2R340 L344R340-A342 PolarHBondContact O-N 3.38Å; A342-L344 PolarHBondContact O-N 3.4Å
343V53.7Low49.7Very low130 Ų130148.6 Ų148.679%0.78876%0.76SS**  trans-76.7101.1166.31780000107.2P341P341-V343 PolarHBondContact O-N 3.05Å; P341-V343 VanDerWaalsContact O-N 3.1Å
344L47.3Very low49.1Very low168 Ų168154.6 Ų154.688%0.8878%0.779SS**  trans-84.5125.6164.7-84161.2000108.6A342A342-L344 PolarHBondContact O-N 3.4Å
345K41.4Very low48.9Very low270 Ų270162.6 Ų162.6100%1.17481%0.808SS**  trans-124.50168.7-133.4-172-169.7-175.80108.2

Retrieved 345 of 345 residues in 851.6 ms (Link to these results)