G4VHS1_SCHMA Loading...

Putative preprotein translocase secy subunit (Sec61)

AlphaFold DB , UniProt , Accession G4VHS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 475 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
1M34.9Very low53.1Low235 Ų23599.2 Ų99.2100%1.15852%0.515SS*.  064.40-84.8-170.6-8800109.8V3M1-V3 PolarHBondContact O-N 2.77Å
2T40.5Very low53.8Low125 Ų125100.8 Ų100.877%0.76752%0.515SS*.  trans-71.499.9167.910.50000106.5K4T2-K4 PolarHBondContact O-N 3.11Å
3V45.9Very low54.2Low119 Ų11995.5 Ų95.572%0.72149%0.492SS*.  trans-47.2115.4167.5-178.70000105.8M1 F5 I8M1-V3 PolarHBondContact O-N 2.77Å; V3-F5 VanDerWaalsContact C-N 3.27Å; V3-F5 PolarHBondContact O-N 3.15Å; V3-I8 HydrophobicContact CG1-CD1 4.37Å
4K53.1Low54.5Low131 Ų13195 Ų9557%0.5751%0.51SS*.  trans-6398.1176.4-78.2-177.9178-179.40106T2 L6 D7T2-K4 PolarHBondContact O-N 3.11Å; K4-L6 HydrophobicContact CB-CB 4.43Å; K4-L6 PolarHBondContact O-N 3.09Å; K4-D7 HydrophobicContact CB-CB 4.28Å; K4-D7 PolarHBondContact O-N 3.16Å
5F54.4Low55.2Low98 Ų9897.7 Ų97.743%0.4352%0.522SS..Hα-helixtrans-49.6-31.2169.4-173-96.9000110.1V3 D7 I8 V9 F119V3-F5 VanDerWaalsContact C-N 3.27Å; V3-F5 PolarHBondContact O-N 3.15Å; F5-D7 VanDerWaalsContact C-N 3.28Å; F5-D7 PolarHBondContact O-N 3.24Å; F5-I8 PolarHBondContact O-N 2.98Å; F5-I8 VanDerWaalsContact O-N 3.12Å; F5-V9 HydrophobicContact CD1-CG2 4.03Å; F5-V9 HydrophobicContact CE1-CG2 3.77Å; F5-V9 HydrophobicContact CZ-CG2 4.44Å; F5-V9 WeakPolarHBondContact O-CG2 3.34Å; F5-V9 PolarHBondContact O-N 3.44Å; F5-F119 AromaticContact CE1-CE2 3.86Å; F5-F119 HydrophobicContact CE1-CE2 3.86Å; F5-F119 AromaticContact CE1-CZ 3.67Å; F5-F119 HydrophobicContact CE1-CZ 3.67Å; F5-F119 HydrophobicContact CZ-CE2 4.41Å; F5-F119 AromaticContact CZ-CZ 3.76Å; F5-F119 HydrophobicContact CZ-CZ 3.76Å
6L56.4Low55.9Low19 Ų1993.5 Ų93.510%0.09950%0.499CS..Hα-helixtrans-55.8-31.1171.7-63.5166.4000114.7K4 K10 L100 L111K4-L6 HydrophobicContact CB-CB 4.43Å; K4-L6 PolarHBondContact O-N 3.09Å; L6-K10 WeakPolarHBondContact O-CG 3.35Å; L6-K10 PolarHBondContact O-N 3.42Å; L6-L100 HydrophobicContact CD2-CD2 4.32Å; L6-L100 HydrophobicContact CG-CD2 4.28Å; L6-L111 HydrophobicContact CB-CD1 4.41Å; L6-L111 HydrophobicContact CD2-CB 3.88Å
7D58.8Low56.4Low75 Ų7591.9 Ų91.940%0.40150%0.495SS..Hα-helixtrans-79.5-26.5177.5-72.8-30.2000112.7K4 F5 V9 K10K4-D7 HydrophobicContact CB-CB 4.28Å; K4-D7 PolarHBondContact O-N 3.16Å; F5-D7 VanDerWaalsContact C-N 3.28Å; F5-D7 PolarHBondContact O-N 3.24Å; D7-V9 VanDerWaalsContact C-N 3.32Å; D7-K10 WeakPolarHBondContact OD1-CD 3.41Å; D7-K10 WeakPolarHBondContact OD1-CE 3.44Å; D7-K10 IonicContact OD1-NZ 3.68Å; D7-K10 PolarHBondContact OD1-NZ 3.29Å
8I60.3Low57.2Low97 Ų9793.1 Ų93.150%0.49750%0.497SS..Hα-helixtrans-71.6-30.5173.3-62.7172.2000110.8V3 F5 P11V3-I8 HydrophobicContact CG1-CD1 4.37Å; F5-I8 PolarHBondContact O-N 2.98Å; F5-I8 VanDerWaalsContact O-N 3.12Å; I8-P11 VanDerWaalsContact O-CD 3.29Å; I8-P11 WeakPolarHBondContact O-CD 3.09Å; I8-P11 WeakPolarHBondContact O-CG 3.38Å
9V60.3Low58Low10 Ų1089.8 Ų89.86%0.06148%0.479CS..Hα-helixtrans-83.5-23.9-178.4-176.20000112.3F5 D7 F12 C13 A115 L118F5-V9 HydrophobicContact CD1-CG2 4.03Å; F5-V9 HydrophobicContact CE1-CG2 3.77Å; F5-V9 HydrophobicContact CZ-CG2 4.44Å; F5-V9 WeakPolarHBondContact O-CG2 3.34Å; F5-V9 PolarHBondContact O-N 3.44Å; D7-V9 VanDerWaalsContact C-N 3.32Å; V9-F12 PolarHBondContact O-N 2.9Å; V9-C13 PolarHBondContact O-N 2.82Å; V9-A115 HydrophobicContact CG1-CB 4.2Å; V9-L118 HydrophobicContact CG1-CD1 4.2Å
10K60.7Low58.7Low103 Ų10389.7 Ų89.745%0.44849%0.486SS..Hα-helixtrans-47.4-47.1177.5-85.5177.4-178.1169.10115.8L6 D7 F12 C13 L111L6-K10 WeakPolarHBondContact O-CG 3.35Å; L6-K10 PolarHBondContact O-N 3.42Å; D7-K10 WeakPolarHBondContact OD1-CD 3.41Å; D7-K10 WeakPolarHBondContact OD1-CE 3.44Å; D7-K10 IonicContact OD1-NZ 3.68Å; D7-K10 PolarHBondContact OD1-NZ 3.29Å; K10-F12 VanDerWaalsContact C-N 3.28Å; K10-F12 PolarHBondContact O-N 2.97Å; K10-C13 PolarHBondContact O-N 2.89Å; K10-L111 HydrophobicContact CG-CD2 3.82Å
11P58.9Low59.3Low79 Ų7992.6 Ų92.651%0.51349%0.49SS..Hα-helixtrans-64.5-33.3178.423.3-33.9000112.6I8 A14I8-P11 VanDerWaalsContact O-CD 3.29Å; I8-P11 WeakPolarHBondContact O-CD 3.09Å; I8-P11 WeakPolarHBondContact O-CG 3.38Å; P11-A14 PolarHBondContact O-N 2.86Å
12F61.1Low61Low118 Ų11883.2 Ų83.252%0.51845%0.446SS..Hα-helixtrans-77-29.7177.7-65.5-80.1000112.6V9 K10 A14 I15 L16 L118V9-F12 PolarHBondContact O-N 2.9Å; K10-F12 VanDerWaalsContact C-N 3.28Å; K10-F12 PolarHBondContact O-N 2.97Å; F12-A14 PolarHBondContact O-N 3.31Å; F12-I15 PolarHBondContact O-N 3.17Å; F12-I15 VanDerWaalsContact O-N 3.16Å; F12-L16 WeakPolarHBondContact O-CG 3.22Å; F12-L16 PolarHBondContact O-N 3.14Å; F12-L118 HydrophobicContact CB-CD1 3.23Å; F12-L118 HydrophobicContact CG-CD1 3.98Å
13C58.8Low62.4Low32 Ų3286.6 Ų86.622%0.21645%0.454CS..Hα-helixtrans-58-28.4172.3-71.70000113.5V9 K10 I15V9-C13 PolarHBondContact O-N 2.82Å; K10-C13 PolarHBondContact O-N 2.89Å; C13-I15 VanDerWaalsContact C-N 3.35Å
14A59.5Low63.7Low89 Ų8991.1 Ų91.174%0.73646%0.458SS*.THydrogen-bonded Turntrans-75.9-21.7179.700000113.8P11 F12P11-A14 PolarHBondContact O-N 2.86Å; F12-A14 PolarHBondContact O-N 3.31Å
15I64.1Low64.6Low136 Ų13694.3 Ų94.370%0.69747%0.472SS*.THydrogen-bonded Turntrans-89.7-21.1179.9-59.5170.4000110.7F12 C13F12-I15 PolarHBondContact O-N 3.17Å; F12-I15 VanDerWaalsContact O-N 3.16Å; C13-I15 VanDerWaalsContact C-N 3.35Å
16L66.7Low65.6Low30 Ų3090.7 Ų90.716%0.15746%0.457CS..SBendtrans-72.6127.9-176.5-73.2168.4000110.8F12 E18 L118 M121F12-L16 WeakPolarHBondContact O-CG 3.22Å; F12-L16 PolarHBondContact O-N 3.14Å; L16-E18 PolarHBondContact O-N 3.43Å; L16-E18 VanDerWaalsContact O-N 3.11Å; L16-L118 HydrophobicContact CD1-CB 3.94Å; L16-L118 HydrophobicContact CD1-CD1 4.04Å; L16-L118 HydrophobicContact CD1-CG 4.42Å; L16-M121 HydrophobicContact CD2-CE 3.34Å; L16-M121 HydrophobicContact CD2-SD 3.89Å
17P64.8Low66.6Low67 Ų6795.7 Ų95.744%0.43548%0.479SS..  trans-64.6115.5170.826.9-31.9000108.6M164P17-M164 HydrophobicContact CB-CE 4.22Å; P17-M164 HydrophobicContact CG-SD 4.45Å
18E69.6Low67.5Low113 Ų11393.4 Ų93.453%0.52847%0.466SS..  trans-112.3130.9177.7-135.9-159.9143.600109.6L16 K117 E167 K171L16-E18 PolarHBondContact O-N 3.43Å; L16-E18 VanDerWaalsContact O-N 3.11Å; E18-K117 VanDerWaalsContact CG-NZ 3.31Å; E18-K117 IonicContact OE1-NZ 3.1Å; E18-E167 WeakPolarHBondContact CG-OE1 3.32Å; E18-K171 VanDerWaalsContact CD-NZ 3.33Å; E18-K171 VanDerWaalsContact CG-NZ 3.34Å; E18-K171 IonicContact OE1-NZ 2.91Å; E18-K171 PolarHBondContact OE1-NZ 3.49Å
19I73Confident68.4Low30 Ų3098.9 Ų98.915%0.15448%0.48CS..PPolyproline II helixtrans-73.2130.6176.2-63.9177.1000108.4R21 M164 E167 L168 K171 Y173I19-R21 PolarHBondContact O-N 2.93Å; I19-M164 HydrophobicContact CD1-CB 4.38Å; I19-M164 WeakPolarHBondContact CD1-O 3.48Å; I19-M164 HydrophobicContact CG1-CE 4.33Å; I19-E167 HydrophobicContact CB-CG 4.21Å; I19-E167 HydrophobicContact CD1-CB 4.22Å; I19-E167 HydrophobicContact CD1-CG 4.23Å; I19-E167 HydrophobicContact CG1-CG 4.39Å; I19-E167 PolarHBondContact N-OE1 2.86Å; I19-L168 HydrophobicContact CD1-CB 3.68Å; I19-L168 HydrophobicContact CD1-CD1 4.39Å; I19-L168 HydrophobicContact CD1-CG 4.42Å; I19-K171 HydrophobicContact CB-CD 4.15Å; I19-K171 HydrophobicContact CG2-CD 4.39Å; I19-K171 WeakPolarHBondContact O-CD 3.42Å; I19-K171 WeakPolarHBondContact O-CE 3.48Å; I19-K171 PolarHBondContact O-NZ 2.99Å; I19-Y173 HydrophobicContact CG2-CE2 4.28Å
20S72.1Confident69.5Low87 Ų87103 Ų10361%0.60850%0.499SS*.PPolyproline II helixtrans-63140.6177.548.10000110.9
21R72.2Confident70.5Confident151 Ų151100.3 Ų100.357%0.5749%0.486SS*.PPolyproline II helixtrans-68143.9168.8-69.7-177.2-176.7178.12108.2I19 E23 K171I19-R21 PolarHBondContact O-N 2.93Å; R21-E23 PolarHBondContact O-N 3.32Å; R21-K171 HydrophobicContact CG-CB 4.48Å; R21-K171 HydrophobicContact CG-CD 4.07Å; R21-K171 HydrophobicContact CG-CG 4.2Å
22P70.5Confident71.8Confident38 Ų3899.5 Ų99.525%0.24748%0.479CS..PPolyproline II helixtrans-64.6129.5-179.427.6-34.2000110.6R24 I26 K171 Y173P22-R24 PolarHBondContact O-N 3.37Å; P22-I26 HydrophobicContact CB-CD1 3.62Å; P22-I26 HydrophobicContact CB-CG1 3.78Å; P22-I26 HydrophobicContact CG-CD1 3.84Å; P22-I26 HydrophobicContact CG-CG1 4.23Å; P22-K171 WeakPolarHBondContact CD-O 3.38Å; P22-Y173 HydrophobicContact CB-CE2 4.36Å; P22-Y173 HydrophobicContact CG-CE2 4.39Å
23E69.6Low73Confident197 Ų19799.3 Ų99.392%0.92148%0.483SS*.SBendtrans-66.5-22.7-179.9-63.4-176.1170.500112.6R21R21-E23 PolarHBondContact O-N 3.32Å
24R72.6Confident74.3Confident214 Ų214102.7 Ų102.781%0.80849%0.491SS*.SBendtrans-125.7153.4178.5-64-177.7-179.3-176.5-0.1109.9P22 I26P22-R24 PolarHBondContact O-N 3.37Å; R24-I26 PolarHBondContact O-N 3.39Å
25K71.5Confident75.6Confident198 Ų19899 Ų9986%0.86146%0.46SS*.  trans-62.2109.3167.9-69.5-173.7177.9-175.20108.2
26I75.5Confident76.7Confident22 Ų2294.1 Ų94.111%0.11344%0.443CS..  trans-60.5139.4175.9-62.1171.5000108.9P22 R24 E30 R31 Y173P22-I26 HydrophobicContact CB-CD1 3.62Å; P22-I26 HydrophobicContact CB-CG1 3.78Å; P22-I26 HydrophobicContact CG-CD1 3.84Å; P22-I26 HydrophobicContact CG-CG1 4.23Å; R24-I26 PolarHBondContact O-N 3.39Å; I26-E30 HydrophobicContact CG2-CB 3.45Å; I26-E30 VanDerWaalsContact CG2-CB 3.45Å; I26-E30 HydrophobicContact CG2-CG 4.49Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.49Å; I26-R31 HydrophobicContact CB-CG 4.07Å; I26-R31 HydrophobicContact CG2-CG 3.68Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CD2 4.38Å; I26-Y173 HydrophobicContact CD1-CE1 3.5Å; I26-Y173 HydrophobicContact CD1-CG 3.7Å
27Q77.8Confident77.7Confident124 Ų12496.1 Ų96.158%0.57945%0.453SS*.  trans-68150177.6-65.3-1735.800111R29 E30 R31Q27-R29 VanDerWaalsContact C-N 3.25Å; Q27-R29 PolarHBondContact O-N 3.29Å; Q27-R29 VanDerWaalsContact O-N 3.17Å; Q27-E30 HydrophobicContact CB-CG 4.45Å; Q27-E30 PolarHBondContact N-OE2 2.61Å; Q27-E30 WeakPolarHBondContact O-CB 3.18Å; Q27-E30 PolarHBondContact O-N 2.82Å; Q27-R31 PolarHBondContact O-N 3.34Å
28F77.1Confident78.8Confident26 Ų2693 Ų9311%0.11443%0.433CS..Hα-helixtrans-50.4-44.3-179.8-174.2-95.8000113.5E30 R31 V32 L175 F459 E462 M466F28-E30 VanDerWaalsContact C-N 3.34Å; F28-E30 PolarHBondContact O-N 2.67Å; F28-R31 PolarHBondContact O-N 3.15Å; F28-V32 HydrophobicContact CD1-CG2 4.03Å; F28-V32 HydrophobicContact CE1-CG2 3.46Å; F28-V32 VanDerWaalsContact CE1-CG2 3.46Å; F28-V32 HydrophobicContact CZ-CG2 3.74Å; F28-V32 WeakPolarHBondContact O-CG2 3.06Å; F28-V32 PolarHBondContact O-N 3.48Å; F28-L175 HydrophobicContact CD2-CD2 4.02Å; F28-L175 HydrophobicContact CE2-CD2 3.31Å; F28-L175 HydrophobicContact CZ-CD2 3.76Å; F28-F459 AromaticContact CE1-CD2 3.71Å; F28-F459 HydrophobicContact CE1-CD2 3.71Å; F28-F459 AromaticContact CE1-CE2 3.32Å; F28-F459 HydrophobicContact CE1-CE2 3.32Å; F28-F459 AromaticContact CE1-CZ 3.95Å; F28-F459 HydrophobicContact CE1-CZ 3.95Å; F28-F459 HydrophobicContact CE2-CD2 4.25Å; F28-F459 HydrophobicContact CZ-CB 4.38Å; F28-F459 AromaticContact CZ-CD2 3.18Å; F28-F459 HydrophobicContact CZ-CD2 3.18Å; F28-F459 AromaticContact CZ-CE2 3.36Å; F28-F459 HydrophobicContact CZ-CE2 3.36Å; F28-F459 AromaticContact CZ-CG 3.85Å; F28-F459 HydrophobicContact CZ-CG 3.85Å; F28-F459 HydrophobicContact CZ-CZ 4.22Å; F28-E462 HydrophobicContact CD2-CB 4.01Å; F28-E462 WeakPolarHBondContact CD2-OE2 3.36Å; F28-E462 HydrophobicContact CE2-CB 4.19Å; F28-E462 VanDerWaalsContact CE2-OE2 3.27Å; F28-E462 WeakPolarHBondContact CE2-OE2 3.47Å; F28-M466 HydrophobicContact CB-CE 4.42Å; F28-M466 HydrophobicContact CB-SD 3.62Å; F28-M466 HydrophobicContact CG-SD 4.36Å
29R80.6Confident79.6Confident212 Ų21289.3 Ų89.380%0.842%0.416SS*.Hα-helixtrans-61.6-40.1179.2-67.9-176.3175.3-173.6-1.3112.8Q27 L33Q27-R29 VanDerWaalsContact C-N 3.25Å; Q27-R29 PolarHBondContact O-N 3.29Å; Q27-R29 VanDerWaalsContact O-N 3.17Å; R29-L33 PolarHBondContact O-N 2.99Å; R29-L33 VanDerWaalsContact O-N 3.13Å
30E83.6Confident80.3Confident96 Ų9692.7 Ų92.745%0.44943%0.433SS..Hα-helixtrans-68.3-39.7177.3-67.9172.8163.100110.6I26 Q27 F28 V32 L33 W34I26-E30 HydrophobicContact CG2-CB 3.45Å; I26-E30 VanDerWaalsContact CG2-CB 3.45Å; I26-E30 HydrophobicContact CG2-CG 4.49Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.49Å; Q27-E30 HydrophobicContact CB-CG 4.45Å; Q27-E30 PolarHBondContact N-OE2 2.61Å; Q27-E30 WeakPolarHBondContact O-CB 3.18Å; Q27-E30 PolarHBondContact O-N 2.82Å; F28-E30 VanDerWaalsContact C-N 3.34Å; F28-E30 PolarHBondContact O-N 2.67Å; E30-V32 PolarHBondContact O-N 2.85Å; E30-L33 WeakPolarHBondContact O-CB 3.41Å; E30-L33 PolarHBondContact O-N 3.43Å; E30-W34 PolarHBondContact O-N 3.27Å
31R82.2Confident81Confident48 Ų4891.7 Ų91.718%0.18142%0.42CS..Hα-helixtrans-62-42.1176.2-67.2-172.3-176.8163.41.3113I26 Q27 F28 L33 W34 T35 G172 Y173 L175 E462I26-R31 HydrophobicContact CB-CG 4.07Å; I26-R31 HydrophobicContact CG2-CG 3.68Å; Q27-R31 PolarHBondContact O-N 3.34Å; F28-R31 PolarHBondContact O-N 3.15Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-L33 PolarHBondContact O-N 2.97Å; R31-W34 PolarHBondContact O-N 3.31Å; R31-T35 WeakPolarHBondContact O-CB 3.44Å; R31-T35 PolarHBondContact O-N 3.24Å; R31-T35 PolarHBondContact O-OG1 3.01Å; R31-G172 PolarHBondContact NE-O 2.87Å; R31-Y173 VanDerWaalsContact CA-O 3.24Å; R31-Y173 WeakPolarHBondContact CA-O 3.37Å; R31-L175 HydrophobicContact CB-CD2 4.21Å; R31-L175 HydrophobicContact CB-CG 4.3Å; R31-E462 IonicContact CZ-OE1 2.92Å; R31-E462 IonicContact NH1-OE1 3.65Å; R31-E462 PolarHBondContact NH1-OE1 3.44Å; R31-E462 IonicContact NH1-OE2 3.49Å
32V84.3Confident81.7Confident62 Ų6284.5 Ų84.538%0.37639%0.393SS..Hα-helixtrans-60.2-44.6174.6176.30000110.2F28 E30 T35 G36 L175F28-V32 HydrophobicContact CD1-CG2 4.03Å; F28-V32 HydrophobicContact CE1-CG2 3.46Å; F28-V32 VanDerWaalsContact CE1-CG2 3.46Å; F28-V32 HydrophobicContact CZ-CG2 3.74Å; F28-V32 WeakPolarHBondContact O-CG2 3.06Å; F28-V32 PolarHBondContact O-N 3.48Å; E30-V32 PolarHBondContact O-N 2.85Å; V32-T35 PolarHBondContact O-N 3.39Å; V32-G36 PolarHBondContact O-N 2.94Å; V32-L175 HydrophobicContact CB-CD1 4.38Å; V32-L175 HydrophobicContact CG2-CD1 3.77Å; V32-L175 HydrophobicContact CG2-CD2 4.42Å
33L87Confident82.3Confident114 Ų11485.3 Ų85.360%0.59740%0.395SS*.Hα-helixtrans-61.6-47.9178.9-169.978.6000111.9R29 E30 R31 T35 G36 I37R29-L33 PolarHBondContact O-N 2.99Å; R29-L33 VanDerWaalsContact O-N 3.13Å; E30-L33 WeakPolarHBondContact O-CB 3.41Å; E30-L33 PolarHBondContact O-N 3.43Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-L33 PolarHBondContact O-N 2.97Å; L33-T35 VanDerWaalsContact C-N 3.33Å; L33-T35 PolarHBondContact O-N 3.01Å; L33-G36 PolarHBondContact O-N 3.19Å; L33-G36 VanDerWaalsContact O-N 3.16Å; L33-I37 HydrophobicContact CD2-CD1 4.39Å; L33-I37 HydrophobicContact CG-CD1 4.04Å; L33-I37 WeakPolarHBondContact O-CG1 3.27Å; L33-I37 PolarHBondContact O-N 2.87Å
34W86.4Confident83.1Confident103 Ų10382.1 Ų82.139%0.3938%0.378SS..Hα-helixtrans-62.1-39.8176.4-79.3110.1000112.4E30 R31 G36 I37 T38 L168 Y173E30-W34 PolarHBondContact O-N 3.27Å; R31-W34 PolarHBondContact O-N 3.31Å; W34-G36 VanDerWaalsContact C-N 3.32Å; W34-G36 PolarHBondContact O-N 2.93Å; W34-I37 PolarHBondContact O-N 3.45Å; W34-T38 VanDerWaalsContact O-CG2 3.3Å; W34-T38 WeakPolarHBondContact O-CG2 3.03Å; W34-T38 PolarHBondContact O-N 2.89Å; W34-T38 PolarHBondContact O-OG1 2.91Å; W34-L168 HydrophobicContact CE3-CD1 4.36Å; W34-L168 HydrophobicContact CE3-CD2 4.18Å; W34-L168 HydrophobicContact CZ3-CD1 4.35Å; W34-Y173 WeakPolarHBondContact CB-O 3.31Å; W34-Y173 HydrophobicContact CD2-CD1 4.38Å; W34-Y173 HydrophobicContact CG-CD1 4.33Å
35T85.7Confident83.5Confident11 Ų1172.6 Ų72.67%0.06734%0.344CS..Hα-helixtrans-62-40.7174.1-530000111.2R31 V32 L33 T38 L39 L169 G174 L175 L181R31-T35 WeakPolarHBondContact O-CB 3.44Å; R31-T35 PolarHBondContact O-N 3.24Å; R31-T35 PolarHBondContact O-OG1 3.01Å; V32-T35 PolarHBondContact O-N 3.39Å; L33-T35 VanDerWaalsContact C-N 3.33Å; L33-T35 PolarHBondContact O-N 3.01Å; T35-T38 WeakPolarHBondContact CA-OG1 3.29Å; T35-T38 PolarHBondContact O-OG1 3.34Å; T35-L39 WeakPolarHBondContact O-CB 3.39Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 2.87Å; T35-L39 VanDerWaalsContact O-N 3.17Å; T35-L169 HydrophobicContact CG2-CD2 4.45Å; T35-G174 WeakPolarHBondContact OG1-CA 3.36Å; T35-L175 PolarHBondContact OG1-N 3.4Å; T35-L181 HydrophobicContact CG2-CD1 4.35Å; T35-L181 HydrophobicContact CG2-CD2 3.54Å
36G87.5Confident83.7Confident33 Ų3363.2 Ų63.234%0.3430%0.303SS..Hα-helixtrans-66.8-43.1175.400000113.6V32 L33 W34 L39 M40V32-G36 PolarHBondContact O-N 2.94Å; L33-G36 PolarHBondContact O-N 3.19Å; L33-G36 VanDerWaalsContact O-N 3.16Å; W34-G36 VanDerWaalsContact C-N 3.32Å; W34-G36 PolarHBondContact O-N 2.93Å; G36-L39 PolarHBondContact O-N 3.06Å; G36-M40 WeakPolarHBondContact O-CG 3.48Å; G36-M40 PolarHBondContact O-N 2.83Å
37I89.2Confident83.9Confident73 Ų7367.6 Ų67.637%0.37432%0.323SS..Hα-helixtrans-64.2-46.5179.4-68165.5000110.9L33 W34 L39 M40 I41L33-I37 HydrophobicContact CD2-CD1 4.39Å; L33-I37 HydrophobicContact CG-CD1 4.04Å; L33-I37 WeakPolarHBondContact O-CG1 3.27Å; L33-I37 PolarHBondContact O-N 2.87Å; W34-I37 PolarHBondContact O-N 3.45Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 3.24Å; I37-M40 PolarHBondContact O-N 2.84Å; I37-I41 HydrophobicContact CG2-CD1 4.01Å; I37-I41 WeakPolarHBondContact O-CG1 3.36Å; I37-I41 PolarHBondContact O-N 3Å
38T87.4Confident84.1Confident2 Ų265.6 Ų65.61%0.01232%0.316CS..Hα-helixtrans-61.2-40.517849.50000112.1W34 T35 I41 F42 L165 L168 L169W34-T38 VanDerWaalsContact O-CG2 3.3Å; W34-T38 WeakPolarHBondContact O-CG2 3.03Å; W34-T38 PolarHBondContact O-N 2.89Å; W34-T38 PolarHBondContact O-OG1 2.91Å; T35-T38 WeakPolarHBondContact CA-OG1 3.29Å; T35-T38 PolarHBondContact O-OG1 3.34Å; T38-I41 PolarHBondContact O-N 3.4Å; T38-F42 WeakPolarHBondContact O-CB 3.06Å; T38-F42 PolarHBondContact O-N 3.39Å; T38-L165 HydrophobicContact CG2-CD2 3.85Å; T38-L168 HydrophobicContact CG2-CD2 3.72Å; T38-L169 HydrophobicContact CG2-CD2 4.28Å; T38-L169 HydrophobicContact CG2-CG 4.38Å
39L86.8Confident84.1Confident34 Ų3468.7 Ų68.718%0.17834%0.338CS..Hα-helixtrans-61.9-43.8173.5-84.7175.1000113.2T35 G36 I37 I41 F42 L43 L181 F182 T185T35-L39 WeakPolarHBondContact O-CB 3.39Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 2.87Å; T35-L39 VanDerWaalsContact O-N 3.17Å; G36-L39 PolarHBondContact O-N 3.06Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 3.24Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 3.08Å; L39-F42 WeakPolarHBondContact O-CB 3.39Å; L39-F42 PolarHBondContact O-N 2.96Å; L39-L43 WeakPolarHBondContact O-CG 3.47Å; L39-L43 PolarHBondContact O-N 3.4Å; L39-L181 HydrophobicContact CD1-CD1 4.15Å; L39-L181 HydrophobicContact CD1-CD2 3.77Å; L39-L181 HydrophobicContact CD1-CG 4.02Å; L39-L181 HydrophobicContact CD2-CD2 3.72Å; L39-L181 HydrophobicContact CD2-CG 3.75Å; L39-L181 HydrophobicContact CG-CD2 3.54Å; L39-L181 HydrophobicContact CG-CG 4.02Å; L39-F182 HydrophobicContact CD2-CD1 4.37Å; L39-T185 HydrophobicContact CD2-CG2 4.23Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.45Å
40M87.2Confident83.7Confident101 Ų10159 Ų5950%0.49830%0.302SS..Hα-helixtrans-61.7-44.3177.5-74-65.7-68.400111.3G36 I37 F42 L43 F44G36-M40 WeakPolarHBondContact O-CG 3.48Å; G36-M40 PolarHBondContact O-N 2.83Å; I37-M40 PolarHBondContact O-N 2.84Å; M40-F42 VanDerWaalsContact C-N 3.33Å; M40-F42 PolarHBondContact O-N 3.2Å; M40-L43 PolarHBondContact O-N 2.84Å; M40-F44 HydrophobicContact CB-CE2 4.48Å; M40-F44 HydrophobicContact CE-CE2 3.85Å; M40-F44 HydrophobicContact CE-CZ 4.13Å; M40-F44 WeakPolarHBondContact O-CD2 3.42Å; M40-F44 PolarHBondContact O-N 3.23Å
41I87.3Confident83Confident66 Ų6660.5 Ų60.534%0.33831%0.308SS..Hα-helixtrans-59.9-45.7176.2-64.3167.1000110.3I37 T38 L39 L43 F44 C45 L161 L165I37-I41 HydrophobicContact CG2-CD1 4.01Å; I37-I41 WeakPolarHBondContact O-CG1 3.36Å; I37-I41 PolarHBondContact O-N 3Å; T38-I41 PolarHBondContact O-N 3.4Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 3.08Å; I41-L43 PolarHBondContact O-N 3.16Å; I41-F44 PolarHBondContact O-N 3.47Å; I41-C45 PolarHBondContact O-N 3.08Å; I41-C45 PolarHBondContact O-SG 2.81Å; I41-C45 VanDerWaalsContact O-SG 3.36Å; I41-L161 HydrophobicContact CG2-CD2 4Å; I41-L165 HydrophobicContact CB-CD1 4.39Å; I41-L165 HydrophobicContact CD1-CD2 4.38Å; I41-L165 HydrophobicContact CG2-CD1 3.99Å
42F85Confident82.1Confident1 Ų159.3 Ų59.30%0.00431%0.31CS..Hα-helixtrans-58.9-44.7177177.9-92.3000112.4T38 L39 M40 C45 C46 A70 M77 F182T38-F42 WeakPolarHBondContact O-CB 3.06Å; T38-F42 PolarHBondContact O-N 3.39Å; L39-F42 WeakPolarHBondContact O-CB 3.39Å; L39-F42 PolarHBondContact O-N 2.96Å; M40-F42 VanDerWaalsContact C-N 3.33Å; M40-F42 PolarHBondContact O-N 3.2Å; F42-C45 PolarHBondContact O-N 3.44Å; F42-C46 VanDerWaalsContact CE1-SG 3.56Å; F42-C46 PolarHBondContact O-N 2.86Å; F42-C46 PolarHBondContact O-SG 3.15Å; F42-A70 HydrophobicContact CZ-CB 4.17Å; F42-M77 HydrophobicContact CD2-CE 3.67Å; F42-M77 HydrophobicContact CE2-CE 3.17Å; F42-M77 HydrophobicContact CZ-CE 3.93Å; F42-F182 HydrophobicContact CB-CD1 4.02Å; F42-F182 HydrophobicContact CB-CE1 3.82Å; F42-F182 AromaticContact CD1-CD1 3.94Å; F42-F182 HydrophobicContact CD1-CD1 3.94Å; F42-F182 HydrophobicContact CD2-CB 4.32Å; F42-F182 AromaticContact CD2-CD1 3.49Å; F42-F182 HydrophobicContact CD2-CD1 3.49Å; F42-F182 VanDerWaalsContact CD2-CD1 3.49Å; F42-F182 HydrophobicContact CD2-CD2 4.29Å; F42-F182 AromaticContact CD2-CE1 3.78Å; F42-F182 HydrophobicContact CD2-CE1 3.78Å; F42-F182 AromaticContact CD2-CG 3.79Å; F42-F182 HydrophobicContact CD2-CG 3.79Å; F42-F182 HydrophobicContact CD2-CZ 4.3Å; F42-F182 HydrophobicContact CE1-CB 4.18Å; F42-F182 HydrophobicContact CE1-CD1 4.29Å; F42-F182 HydrophobicContact CE2-CB 3.76Å; F42-F182 AromaticContact CE2-CD1 3.84Å; F42-F182 HydrophobicContact CE2-CD1 3.84Å; F42-F182 HydrophobicContact CE2-CD2 4.19Å; F42-F182 AromaticContact CE2-CG 3.67Å; F42-F182 HydrophobicContact CE2-CG 3.67Å; F42-F182 AromaticContact CG-CD1 3.54Å; F42-F182 HydrophobicContact CG-CD1 3.54Å; F42-F182 AromaticContact CG-CE1 3.83Å; F42-F182 HydrophobicContact CG-CE1 3.83Å; F42-F182 HydrophobicContact CG-CG 4.25Å; F42-F182 HydrophobicContact CZ-CB 3.71Å; F42-F182 HydrophobicContact CZ-CD1 4.26Å; F42-F182 HydrophobicContact CZ-CG 4.1Å
43L83.9Confident81Confident55 Ų5558.6 Ų58.629%0.28830%0.304SS..Hα-helixtrans-64.3-40.7177.1-74.9173.1000112.4L39 M40 I41 C45 C46 Q47 T185L39-L43 WeakPolarHBondContact O-CG 3.47Å; L39-L43 PolarHBondContact O-N 3.4Å; M40-L43 PolarHBondContact O-N 2.84Å; I41-L43 PolarHBondContact O-N 3.16Å; L43-C45 VanDerWaalsContact C-N 3.35Å; L43-C45 PolarHBondContact O-N 3.39Å; L43-C46 WeakPolarHBondContact O-CB 3.31Å; L43-C46 PolarHBondContact O-N 3.11Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.06Å; L43-T185 HydrophobicContact CD1-CG2 4.33Å; L43-T185 HydrophobicContact CD2-CG2 3.6Å; L43-T185 HydrophobicContact CG-CG2 4.05Å
44F85.5Confident79.5Confident129 Ų12960.6 Ų60.657%0.56631%0.312SS*.Hα-helixtrans-61.8-43.4174-77.6-61.9000111.6M40 I41 C46 Q47 I48M40-F44 HydrophobicContact CB-CE2 4.48Å; M40-F44 HydrophobicContact CE-CE2 3.85Å; M40-F44 HydrophobicContact CE-CZ 4.13Å; M40-F44 WeakPolarHBondContact O-CD2 3.42Å; M40-F44 PolarHBondContact O-N 3.23Å; I41-F44 PolarHBondContact O-N 3.47Å; F44-C46 VanDerWaalsContact C-N 3.27Å; F44-C46 PolarHBondContact O-N 3.15Å; F44-Q47 PolarHBondContact O-N 2.88Å; F44-Q47 VanDerWaalsContact O-N 3.15Å; F44-I48 WeakPolarHBondContact O-CG1 3.33Å; F44-I48 PolarHBondContact O-N 3.35Å
45C82.2Confident77.9Confident15 Ų1557.4 Ų57.410%0.10131%0.306CS..Hα-helixtrans-61.7-35.2174.8-68.30000112.3I41 F42 L43 Q47 M77I41-C45 PolarHBondContact O-N 3.08Å; I41-C45 PolarHBondContact O-SG 2.81Å; I41-C45 VanDerWaalsContact O-SG 3.36Å; F42-C45 PolarHBondContact O-N 3.44Å; L43-C45 VanDerWaalsContact C-N 3.35Å; L43-C45 PolarHBondContact O-N 3.39Å; C45-Q47 PolarHBondContact O-N 2.91Å; C45-M77 HydrophobicContact CB-CG 3.7Å; C45-M77 HydrophobicContact CB-SD 3.77Å
46C75.9Confident76.3Confident1 Ų161.3 Ų61.31%0.00733%0.333CS..Hα-helixtrans-66.2-19.4177.2-70.40000113.8F42 L43 F44 T75 M77F42-C46 VanDerWaalsContact CE1-SG 3.56Å; F42-C46 PolarHBondContact O-N 2.86Å; F42-C46 PolarHBondContact O-SG 3.15Å; L43-C46 WeakPolarHBondContact O-CB 3.31Å; L43-C46 PolarHBondContact O-N 3.11Å; F44-C46 VanDerWaalsContact C-N 3.27Å; F44-C46 PolarHBondContact O-N 3.15Å; C46-T75 WeakPolarHBondContact O-CB 3.37Å; C46-T75 WeakPolarHBondContact O-CG2 3.47Å; C46-T75 PolarHBondContact O-OG1 2.81Å; C46-M77 HydrophobicContact CB-CG 4.42Å
47Q79Confident74.6Confident113 Ų11368.9 Ų68.953%0.52836%0.36SS..Hα-helixtrans-105.4-18.4-173.7-67.6-68.2-26.500113.6L43 F44 C45 P49 E189L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.06Å; F44-Q47 PolarHBondContact O-N 2.88Å; F44-Q47 VanDerWaalsContact O-N 3.15Å; C45-Q47 PolarHBondContact O-N 2.91Å; Q47-P49 WeakPolarHBondContact O-CD 3.4Å; Q47-E189 PolarHBondContact NE2-OE1 3.34Å
48I82.6Confident72.8Confident83 Ų8367.3 Ų67.343%0.42636%0.355SS..SBendtrans-79.1118.1178.9-64.1162.2000109.2F44 T75 L76F44-I48 WeakPolarHBondContact O-CG1 3.33Å; F44-I48 PolarHBondContact O-N 3.35Å; I48-T75 VanDerWaalsContact O-CA 3.3Å; I48-T75 WeakPolarHBondContact O-CA 3.47Å; I48-T75 WeakPolarHBondContact O-CB 3.35Å; I48-L76 HydrophobicContact CB-CD1 3.74Å; I48-L76 HydrophobicContact CB-CG 4.23Å; I48-L76 HydrophobicContact CD1-CD1 4.02Å; I48-L76 HydrophobicContact CG1-CD1 4.49Å; I48-L76 HydrophobicContact CG2-CD1 3.76Å; I48-L76 HydrophobicContact CG2-CG 4.15Å; I48-L76 PolarHBondContact O-N 2.91Å; I48-L76 VanDerWaalsContact O-N 3.08Å
49P75.9Confident71Confident90 Ų9069.5 Ų69.558%0.58437%0.374SS*.BIsolated β-bridgetrans-69.1151.5177.729.2-34.3000111.5Q47 G74Q47-P49 WeakPolarHBondContact O-CD 3.4Å; P49-G74 CarbonylContact C-O 3.39Å; P49-G74 VanDerWaalsContact CA-O 3.27Å; P49-G74 WeakPolarHBondContact CA-O 3.28Å
50L72.9Confident69.4Low9 Ų969.9 Ų69.95%0.04738%0.376CS..PPolyproline II helixtrans-69.6144.6173.2-66.1154.6000110.4G52 I53 G74 T75 L76 E78 Y137 Q154 L155L50-G52 PolarHBondContact O-N 3.39Å; L50-I53 HydrophobicContact CB-CD1 3.91Å; L50-I53 HydrophobicContact CB-CG1 4.09Å; L50-G74 PolarHBondContact N-O 2.76Å; L50-T75 VanDerWaalsContact CD1-O 3.32Å; L50-T75 WeakPolarHBondContact CD1-O 3.5Å; L50-T75 WeakPolarHBondContact CG-O 3.29Å; L50-L76 HydrophobicContact CD2-CD2 4.25Å; L50-E78 HydrophobicContact CD1-CB 4.43Å; L50-Y137 HydrophobicContact CD1-CE1 4.06Å; L50-Q154 HydrophobicContact CD2-CG 3.98Å; L50-L155 HydrophobicContact CD1-CD2 3.95Å; L50-L155 HydrophobicContact CD2-CD2 3.63Å; L50-L155 HydrophobicContact CD2-CG 4.01Å; L50-L155 HydrophobicContact CG-CD2 4.43Å
51F68.7Low67.5Low128 Ų12868 Ų6856%0.56137%0.371SS*.THydrogen-bonded Turntrans-75127174.2-175-98.7000109.6L150 I151F51-L150 HydrophobicContact CB-CD2 4.34Å; F51-L150 HydrophobicContact CD1-CD1 4.27Å; F51-L150 HydrophobicContact CD1-CD2 4.1Å; F51-L150 HydrophobicContact CE1-CD1 4.49Å; F51-I151 VanDerWaalsContact O-CG1 3.23Å; F51-I151 WeakPolarHBondContact O-CG1 3.3Å
52G63.5Low66.1Low22 Ų2266.4 Ų66.423%0.22736%0.363CS..THydrogen-bonded Turntrans10012.6173.500000116.8L50 M54L50-G52 PolarHBondContact O-N 3.39Å; G52-M54 PolarHBondContact O-N 3.39Å; G52-M54 VanDerWaalsContact O-N 3.13Å
53I61.5Low64.8Low48 Ų4871.1 Ų71.125%0.24638%0.382CS..  trans-70.9106.4172.7-56.9165.2000109L50 G74 Y137L50-I53 HydrophobicContact CB-CD1 3.91Å; L50-I53 HydrophobicContact CB-CG1 4.09Å; I53-G74 WeakPolarHBondContact CD1-O 3.39Å; I53-Y137 HydrophobicContact CG1-CD1 4.35Å
54M54.8Low63.7Low155 Ų15572.4 Ų72.476%0.76438%0.383SS*.  trans-98.8-15.7174.2-71.4176.775.700112.8G52G52-M54 PolarHBondContact O-N 3.39Å; G52-M54 VanDerWaalsContact O-N 3.13Å
55S52.4Low62.6Low37 Ų3768.5 Ų68.526%0.25937%0.368SS..  trans-129.397.4179.557.20000111.8Y137 G138S55-Y137 PolarHBondContact OG-O 3Å; S55-G138 PolarHBondContact OG-N 3.43Å
56S53.5Low61.8Low93 Ų9369.7 Ų69.765%0.6537%0.37SS*.  trans-83.7-12.4175-63.80000113.6K73S56-K73 PolarHBondContact O-NZ 3.46Å
57E50.9Low61.2Low191 Ų19171.2 Ų71.289%0.89338%0.379SS*.  trans-94.68.4-170.1-71.1-171.9158.400115.4A59E57-A59 PolarHBondContact O-N 3.14Å
58S51.9Low60.5Low41 Ų4167 Ų6729%0.28736%0.36SS..  trans-64.5123.7176.8-51.70000111D60 K73 I136S58-D60 PolarHBondContact O-N 3.32Å; S58-K73 PolarHBondContact O-NZ 3.18Å; S58-I136 PolarHBondContact OG-O 3.43Å
59A48.9Very low59.6Low48 Ų4863.5 Ų63.540%0.39734%0.343SS..  trans-54.6124.3175.700000110.4E57 P61 G330E57-A59 PolarHBondContact O-N 3.14Å; A59-P61 WeakPolarHBondContact O-CD 3.06Å; A59-G330 WeakPolarHBondContact CB-O 3.47Å
60D53.1Low59.2Low41 Ų4159.2 Ų59.222%0.21932%0.315CS..  trans-86.3109.5-175.8-74.7-50.7000111.7S58 L62 R66 K73S58-D60 PolarHBondContact O-N 3.32Å; D60-L62 PolarHBondContact O-N 3.29Å; D60-R66 IonicContact OD1-CZ 3.36Å; D60-R66 IonicContact OD1-NH1 3.46Å; D60-R66 IonicContact OD1-NH2 2.69Å; D60-R66 PolarHBondContact OD1-NH2 2.94Å; D60-R66 IonicContact OD2-CZ 2.57Å; D60-R66 IonicContact OD2-NH1 3.39Å; D60-R66 PolarHBondContact OD2-NH1 3.28Å; D60-R66 IonicContact OD2-NH2 3.81Å; D60-R66 PolarHBondContact OD2-NH2 3.01Å; D60-R66 VanDerWaalsContact OD2-NH2 3.16Å; D60-K73 WeakPolarHBondContact OD1-CE 3.43Å; D60-K73 IonicContact OD1-NZ 3.36Å; D60-K73 PolarHBondContact OD1-NZ 3.39Å; D60-K73 VanDerWaalsContact OD1-NZ 3.1Å; D60-K73 WeakPolarHBondContact OD2-CD 3.43Å; D60-K73 VanDerWaalsContact OD2-CE 3.29Å; D60-K73 WeakPolarHBondContact OD2-CE 3.22Å; D60-K73 IonicContact OD2-NZ 2.69Å; D60-K73 PolarHBondContact OD2-NZ 3.5Å
61P48.3Very low59Low62 Ų6259.1 Ų59.140%0.40332%0.315SS..THydrogen-bonded Turntrans-70.8-14.2179.2-13.130.7000112.1A59A59-P61 WeakPolarHBondContact O-CD 3.06Å
62L58.1Low59Low33 Ų3354.8 Ų54.817%0.17330%0.298CS..THydrogen-bonded Turntrans-111.422.9-164.2-66.2171.3000113.3D60 W64 L65 R66 Y131 V303D60-L62 PolarHBondContact O-N 3.29Å; L62-W64 PolarHBondContact O-N 3.19Å; L62-W64 VanDerWaalsContact O-N 3.15Å; L62-L65 HydrophobicContact CB-CB 4.15Å; L62-L65 HydrophobicContact CD1-CD2 4.43Å; L62-L65 HydrophobicContact CD2-CB 4.16Å; L62-L65 HydrophobicContact CD2-CD2 3.88Å; L62-L65 PolarHBondContact O-N 2.98Å; L62-R66 PolarHBondContact O-N 3.01Å; L62-Y131 HydrophobicContact CD1-CE1 4.14Å; L62-V303 HydrophobicContact CD2-CG2 3.73Å
63Y57.3Low59Low99 Ų9956.6 Ų56.639%0.38830%0.299SS..Hα-helixtrans-49.7-44-179-179.1-98.2000112.6R66Y63-R66 PolarHBondContact O-N 3.29Å
64W60Low59.1Low83 Ų8354.8 Ų54.831%0.31429%0.293SS..Hα-helixtrans-69.3-36.8178.2-59.9108.2000113.5L62 R66 P345L62-W64 PolarHBondContact O-N 3.19Å; L62-W64 VanDerWaalsContact O-N 3.15Å; W64-R66 VanDerWaalsContact C-N 3.29Å; W64-R66 PolarHBondContact O-N 3.3Å; W64-P345 HydrophobicContact CH2-CG 3.95Å; W64-P345 HydrophobicContact CZ2-CG 4.47Å
65L63.1Low60.2Low47 Ų4748.3 Ų48.325%0.24626%0.262CS..Hα-helixtrans-66.2-35.5177.8-169.569000111L62 V67 I68 S69L62-L65 HydrophobicContact CB-CB 4.15Å; L62-L65 HydrophobicContact CD1-CD2 4.43Å; L62-L65 HydrophobicContact CD2-CB 4.16Å; L62-L65 HydrophobicContact CD2-CD2 3.88Å; L62-L65 PolarHBondContact O-N 2.98Å; L65-V67 VanDerWaalsContact C-N 3.31Å; L65-V67 PolarHBondContact O-N 3.42Å; L65-I68 PolarHBondContact O-N 3.23Å; L65-I68 VanDerWaalsContact O-N 3.13Å; L65-S69 WeakPolarHBondContact O-CB 3.39Å; L65-S69 PolarHBondContact O-N 3.28Å; L65-S69 PolarHBondContact O-OG 3.31Å
66R65.7Low61.1Low39 Ų3947.8 Ų47.815%0.14726%0.256CS..Hα-helixtrans-59.3-39.5-179.4-74.9-171.6179145.88.7114D60 L62 Y63 W64 I68 S69 A70 S71 K73D60-R66 IonicContact OD1-CZ 3.36Å; D60-R66 IonicContact OD1-NH1 3.46Å; D60-R66 IonicContact OD1-NH2 2.69Å; D60-R66 PolarHBondContact OD1-NH2 2.94Å; D60-R66 IonicContact OD2-CZ 2.57Å; D60-R66 IonicContact OD2-NH1 3.39Å; D60-R66 PolarHBondContact OD2-NH1 3.28Å; D60-R66 IonicContact OD2-NH2 3.81Å; D60-R66 PolarHBondContact OD2-NH2 3.01Å; D60-R66 VanDerWaalsContact OD2-NH2 3.16Å; L62-R66 PolarHBondContact O-N 3.01Å; Y63-R66 PolarHBondContact O-N 3.29Å; W64-R66 VanDerWaalsContact C-N 3.29Å; W64-R66 PolarHBondContact O-N 3.3Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 PolarHBondContact O-N 3.46Å; R66-S69 WeakPolarHBondContact CA-OG 3.48Å; R66-S69 PolarHBondContact O-N 2.8Å; R66-A70 WeakPolarHBondContact O-CA 3.41Å; R66-A70 PolarHBondContact O-N 3.46Å; R66-S71 PolarHBondContact O-N 3.48Å; R66-S71 VanDerWaalsContact O-N 3.12Å; R66-K73 VanDerWaalsContact NH2-CG 3.33Å
67V62.5Low62.1Low34 Ų3443.5 Ų43.521%0.20623%0.226CC..Hα-helixtrans-62.4-39.3178.8-179.50000110.6L65L65-V67 VanDerWaalsContact C-N 3.31Å; L65-V67 PolarHBondContact O-N 3.42Å
68I64.4Low63.1Low25 Ų2534.8 Ų34.813%0.12819%0.185CC..Hα-helixtrans-79-38.1-179.4-55.9174.6000111L65 R66 A70 S295L65-I68 PolarHBondContact O-N 3.23Å; L65-I68 VanDerWaalsContact O-N 3.13Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 PolarHBondContact O-N 3.46Å; I68-A70 VanDerWaalsContact C-N 3.32Å; I68-S295 WeakPolarHBondContact CD1-OG 3.28Å
69S63.5Low64.1Low8 Ų833 Ų336%0.05617%0.172CC..Hα-helixtrans-85.2-2.1-176.966.20000113.9L65 R66 S71 G80 I81L65-S69 WeakPolarHBondContact O-CB 3.39Å; L65-S69 PolarHBondContact O-N 3.28Å; L65-S69 PolarHBondContact O-OG 3.31Å; R66-S69 WeakPolarHBondContact CA-OG 3.48Å; R66-S69 PolarHBondContact O-N 2.8Å; S69-S71 PolarHBondContact O-N 2.93Å; S69-S71 VanDerWaalsContact OG-CB 3.24Å; S69-S71 WeakPolarHBondContact OG-CB 3.37Å; S69-G80 CarbonylContact O-C 3.59Å; S69-G80 WeakPolarHBondContact O-CA 3.24Å; S69-I81 PolarHBondContact O-N 3.14Å
70A69.1Low65.3Low0 Ų031 Ų310%016%0.156CC..THydrogen-bonded Turntrans4946.4-171.800000112.1F42 R66 I68 I81 N186F42-A70 HydrophobicContact CZ-CB 4.17Å; R66-A70 WeakPolarHBondContact O-CA 3.41Å; R66-A70 PolarHBondContact O-N 3.46Å; I68-A70 VanDerWaalsContact C-N 3.32Å; A70-I81 HydrophobicContact CB-CD1 3.54Å; A70-I81 HydrophobicContact CB-CG1 4.15Å; A70-N186 HydrophobicContact CB-CB 3.72Å
71S67.7Low66.5Low8 Ų829 Ų296%0.05615%0.146CC..  trans-103.6131.1-175.8158.20000110.6R66 S69 M77 E78R66-S71 PolarHBondContact O-N 3.48Å; R66-S71 VanDerWaalsContact O-N 3.12Å; S69-S71 PolarHBondContact O-N 2.93Å; S69-S71 VanDerWaalsContact OG-CB 3.24Å; S69-S71 WeakPolarHBondContact OG-CB 3.37Å; S71-M77 WeakPolarHBondContact CA-O 3.35Å; S71-E78 VanDerWaalsContact CB-O 3.28Å; S71-E78 WeakPolarHBondContact CB-O 3.32Å; S71-E78 PolarHBondContact OG-O 2.92Å
72N68.3Low67.8Low37 Ų3726.6 Ų26.620%0.19813%0.13CC..  trans-106.8132.7169.8-67.9-12.2000108.4G74 T75 N186N72-G74 PolarHBondContact O-N 3.43Å; N72-T75 HydrophobicContact CB-CG2 4.12Å; N72-T75 PolarHBondContact O-OG1 2.91Å; N72-N186 PolarHBondContact OD1-ND2 2.82Å
73K64.2Low68.8Low59 Ų5925.1 Ų25.126%0.25712%0.123SC..THydrogen-bonded Turntrans-63.7136178.9-166.6-167.6-161.4163.60110.3S56 S58 D60 R66 T75S56-K73 PolarHBondContact O-NZ 3.46Å; S58-K73 PolarHBondContact O-NZ 3.18Å; D60-K73 WeakPolarHBondContact OD1-CE 3.43Å; D60-K73 IonicContact OD1-NZ 3.36Å; D60-K73 PolarHBondContact OD1-NZ 3.39Å; D60-K73 VanDerWaalsContact OD1-NZ 3.1Å; D60-K73 WeakPolarHBondContact OD2-CD 3.43Å; D60-K73 VanDerWaalsContact OD2-CE 3.29Å; D60-K73 WeakPolarHBondContact OD2-CE 3.22Å; D60-K73 IonicContact OD2-NZ 2.69Å; D60-K73 PolarHBondContact OD2-NZ 3.5Å; R66-K73 VanDerWaalsContact NH2-CG 3.33Å; K73-T75 PolarHBondContact O-N 3.26Å
74G63.3Low69.8Low11 Ų1120.7 Ų20.711%0.11311%0.106CC..THydrogen-bonded Turntrans74.614.1169.600000114.2P49 L50 I53 N72 E78P49-G74 CarbonylContact C-O 3.39Å; P49-G74 VanDerWaalsContact CA-O 3.27Å; P49-G74 WeakPolarHBondContact CA-O 3.28Å; L50-G74 PolarHBondContact N-O 2.76Å; I53-G74 WeakPolarHBondContact CD1-O 3.39Å; N72-G74 PolarHBondContact O-N 3.43Å; G74-E78 PolarHBondContact N-OE2 3.05Å
75T78Confident70.7Confident18 Ų1818.1 Ų18.111%0.1110%0.098CC..BIsolated β-bridgetrans-116.3167.217675.90000110.2C46 I48 L50 N72 K73 M77 E78C46-T75 WeakPolarHBondContact O-CB 3.37Å; C46-T75 WeakPolarHBondContact O-CG2 3.47Å; C46-T75 PolarHBondContact O-OG1 2.81Å; I48-T75 VanDerWaalsContact O-CA 3.3Å; I48-T75 WeakPolarHBondContact O-CA 3.47Å; I48-T75 WeakPolarHBondContact O-CB 3.35Å; L50-T75 VanDerWaalsContact CD1-O 3.32Å; L50-T75 WeakPolarHBondContact CD1-O 3.5Å; L50-T75 WeakPolarHBondContact CG-O 3.29Å; N72-T75 HydrophobicContact CB-CG2 4.12Å; N72-T75 PolarHBondContact O-OG1 2.91Å; K73-T75 PolarHBondContact O-N 3.26Å; T75-M77 PolarHBondContact O-N 2.8Å; T75-M77 PolarHBondContact OG1-N 3.29Å; T75-E78 PolarHBondContact O-N 2.82Å; T75-E78 VanDerWaalsContact O-N 3.08Å
76L71.9Confident71.5Confident27 Ų2718.1 Ų18.114%0.14110%0.1CC..THydrogen-bonded Turntrans-50.7-23.6175.3-71.5172000113I48 L50 Q154 A158I48-L76 HydrophobicContact CB-CD1 3.74Å; I48-L76 HydrophobicContact CB-CG 4.23Å; I48-L76 HydrophobicContact CD1-CD1 4.02Å; I48-L76 HydrophobicContact CG1-CD1 4.49Å; I48-L76 HydrophobicContact CG2-CD1 3.76Å; I48-L76 HydrophobicContact CG2-CG 4.15Å; I48-L76 PolarHBondContact O-N 2.91Å; I48-L76 VanDerWaalsContact O-N 3.08Å; L50-L76 HydrophobicContact CD2-CD2 4.25Å; L76-Q154 HydrophobicContact CD2-CG 3.29Å; L76-A158 HydrophobicContact CB-CB 4.01Å; L76-A158 HydrophobicContact CD2-CB 4.25Å; L76-A158 VanDerWaalsContact O-CB 3.22Å; L76-A158 WeakPolarHBondContact O-CB 3.31Å
77M74.7Confident72.2Confident3 Ų316.5 Ų16.52%0.0159%0.094CC..THydrogen-bonded Turntrans-95.124.1-176.5-64-61.9-57.300113.7F42 C45 C46 S71 T75 L79 G80 V162F42-M77 HydrophobicContact CD2-CE 3.67Å; F42-M77 HydrophobicContact CE2-CE 3.17Å; F42-M77 HydrophobicContact CZ-CE 3.93Å; C45-M77 HydrophobicContact CB-CG 3.7Å; C45-M77 HydrophobicContact CB-SD 3.77Å; C46-M77 HydrophobicContact CB-CG 4.42Å; S71-M77 WeakPolarHBondContact CA-O 3.35Å; T75-M77 PolarHBondContact O-N 2.8Å; T75-M77 PolarHBondContact OG1-N 3.29Å; M77-L79 PolarHBondContact O-N 2.99Å; M77-G80 VanDerWaalsContact O-CA 3.31Å; M77-G80 WeakPolarHBondContact O-CA 3.31Å; M77-G80 PolarHBondContact O-N 3.39Å; M77-V162 HydrophobicContact CE-CG1 4.35Å; M77-V162 HydrophobicContact CE-CG2 3.48Å; M77-V162 VanDerWaalsContact CE-CG2 3.48Å; M77-V162 HydrophobicContact SD-CG2 3.4Å; M77-V162 WeakPolarHBondContact SD-CG2 3.43Å
78E70.2Confident73Confident7 Ų715.2 Ų15.23%0.0339%0.088CC..SBendtrans-65.9-36-178.2-171.3154.4172.400113.8L50 S71 G74 T75 G80 Y137 L155L50-E78 HydrophobicContact CD1-CB 4.43Å; S71-E78 VanDerWaalsContact CB-O 3.28Å; S71-E78 WeakPolarHBondContact CB-O 3.32Å; S71-E78 PolarHBondContact OG-O 2.92Å; G74-E78 PolarHBondContact N-OE2 3.05Å; T75-E78 PolarHBondContact O-N 2.82Å; T75-E78 VanDerWaalsContact O-N 3.08Å; E78-G80 PolarHBondContact O-N 3.49Å; E78-Y137 PolarHBondContact OE1-OH 3.46Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.47Å; E78-Y137 PolarHBondContact OE2-OH 3.05Å; E78-L155 HydrophobicContact CB-CD2 4.27Å
79L73.6Confident73.6Confident3 Ų317.7 Ų17.72%0.01610%0.101CC..SBendtrans-69.3-24.1169-75131.4000112.2M77 S82 P83 Q127 A128 Y131 L155M77-L79 PolarHBondContact O-N 2.99Å; L79-S82 WeakPolarHBondContact O-CB 3.34Å; L79-S82 PolarHBondContact O-N 3.11Å; L79-S82 PolarHBondContact O-OG 3.43Å; L79-P83 HydrophobicContact CB-CG 4.43Å; L79-P83 HydrophobicContact CD2-CG 4.31Å; L79-Q127 HydrophobicContact CD2-CB 3.29Å; L79-Q127 HydrophobicContact CD2-CG 4.4Å; L79-A128 HydrophobicContact CD1-CB 3.95Å; L79-Y131 HydrophobicContact CD2-CD2 4.14Å; L79-Y131 HydrophobicContact CD2-CE2 4.2Å; L79-Y131 HydrophobicContact CG-CD2 4.46Å; L79-L155 HydrophobicContact CD1-CB 3.69Å; L79-L155 HydrophobicContact CD1-CD1 4.38Å; L79-L155 HydrophobicContact CD1-CD2 3.97Å; L79-L155 HydrophobicContact CD1-CG 4.23Å
80G75Confident74.3Confident6 Ų621 Ų216%0.06212%0.118CC..THydrogen-bonded Turntrans53.5-137.6-176.600000112.3S69 M77 E78 S82S69-G80 CarbonylContact O-C 3.59Å; S69-G80 WeakPolarHBondContact O-CA 3.24Å; M77-G80 VanDerWaalsContact O-CA 3.31Å; M77-G80 WeakPolarHBondContact O-CA 3.31Å; M77-G80 PolarHBondContact O-N 3.39Å; E78-G80 PolarHBondContact O-N 3.49Å; G80-S82 VanDerWaalsContact C-N 3.33Å
81I77.2Confident74.8Confident0 Ų021.2 Ų21.20%012%0.118CC..THydrogen-bonded Turntrans-93.52.3178.3-41.5158.3000110.5S69 A70 P83 I84 I85 I179 F182 I183S69-I81 PolarHBondContact O-N 3.14Å; A70-I81 HydrophobicContact CB-CD1 3.54Å; A70-I81 HydrophobicContact CB-CG1 4.15Å; I81-P83 VanDerWaalsContact C-CD 3.43Å; I81-I84 HydrophobicContact CG2-CB 3.95Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG1 4.48Å; I81-I84 HydrophobicContact CG2-CG2 4.47Å; I81-I84 WeakPolarHBondContact O-CB 3.25Å; I81-I84 PolarHBondContact O-N 3.27Å; I81-I85 HydrophobicContact CB-CD1 4.28Å; I81-I85 HydrophobicContact CG2-CD1 4.24Å; I81-I85 HydrophobicContact CG2-CG1 4.04Å; I81-I85 PolarHBondContact O-N 2.93Å; I81-I179 HydrophobicContact CG2-CB 4.33Å; I81-I179 HydrophobicContact CG2-CG1 3.97Å; I81-I179 HydrophobicContact CG2-CG2 4.08Å; I81-F182 HydrophobicContact CD1-CB 3.35Å; I81-F182 HydrophobicContact CD1-CD2 4.26Å; I81-F182 HydrophobicContact CD1-CG 4.3Å; I81-F182 HydrophobicContact CG1-CB 4.1Å; I81-F182 HydrophobicContact CG1-CD2 4.3Å; I81-I183 HydrophobicContact CD1-CG1 3.79Å
82S76.5Confident75.1Confident11 Ų1126.2 Ų26.28%0.07714%0.141CC..Hα-helixtrans-57.9-38.8-173.472.30000114.3L79 G80 I84 I85 T86 Q127L79-S82 WeakPolarHBondContact O-CB 3.34Å; L79-S82 PolarHBondContact O-N 3.11Å; L79-S82 PolarHBondContact O-OG 3.43Å; G80-S82 VanDerWaalsContact C-N 3.33Å; S82-I84 VanDerWaalsContact C-N 3.28Å; S82-I84 PolarHBondContact O-N 3.3Å; S82-I85 PolarHBondContact O-N 3Å; S82-T86 WeakPolarHBondContact O-CB 3.39Å; S82-T86 VanDerWaalsContact O-CG2 3.28Å; S82-T86 WeakPolarHBondContact O-CG2 3.31Å; S82-T86 PolarHBondContact O-N 3.17Å; S82-T86 PolarHBondContact O-OG1 2.72Å; S82-Q127 PolarHBondContact OG-OE1 3.49Å
83P77.6Confident75.6Confident2 Ų229.8 Ų29.81%0.01316%0.159CC..Hα-helixtrans-65.3-31.8175.7-17.530.7000113L79 I81 T86 S87 I123 T124L79-P83 HydrophobicContact CB-CG 4.43Å; L79-P83 HydrophobicContact CD2-CG 4.31Å; I81-P83 VanDerWaalsContact C-CD 3.43Å; P83-T86 WeakPolarHBondContact CA-OG1 3.25Å; P83-T86 PolarHBondContact O-OG1 3.2Å; P83-S87 VanDerWaalsContact O-CB 3.29Å; P83-S87 WeakPolarHBondContact O-CB 3.49Å; P83-S87 PolarHBondContact O-N 2.82Å; P83-S87 PolarHBondContact O-OG 3.03Å; P83-I123 HydrophobicContact CB-CB 4.4Å; P83-I123 HydrophobicContact CB-CG2 4.02Å; P83-T124 WeakPolarHBondContact CB-OG1 3.4Å; P83-T124 WeakPolarHBondContact CG-OG1 3.45Å
84I80Confident76.2Confident7 Ų729.5 Ų29.54%0.03616%0.16CC..Hα-helixtrans-75.7-45.3-178-56.7177.2000109.7I81 S82 S87 G88 V162 L163 D166 I179I81-I84 HydrophobicContact CG2-CB 3.95Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG1 4.48Å; I81-I84 HydrophobicContact CG2-CG2 4.47Å; I81-I84 WeakPolarHBondContact O-CB 3.25Å; I81-I84 PolarHBondContact O-N 3.27Å; S82-I84 VanDerWaalsContact C-N 3.28Å; S82-I84 PolarHBondContact O-N 3.3Å; I84-S87 PolarHBondContact O-OG 2.82Å; I84-G88 PolarHBondContact O-N 3.06Å; I84-V162 HydrophobicContact CD1-CG1 3.84Å; I84-L163 HydrophobicContact CD1-CB 4.35Å; I84-D166 HydrophobicContact CD1-CB 4.16Å; I84-D166 WeakPolarHBondContact CG2-OD2 3.33Å; I84-I179 HydrophobicContact CG2-CD1 3.67Å; I84-I179 HydrophobicContact CG2-CG1 3.94Å
85I78Confident76.6Confident29 Ų2930.6 Ų30.615%0.14917%0.169CC..Hα-helixtrans-65.2-45.3177.6-61172.5000110.2I81 S82 G88 L89 I179 I183I81-I85 HydrophobicContact CB-CD1 4.28Å; I81-I85 HydrophobicContact CG2-CD1 4.24Å; I81-I85 HydrophobicContact CG2-CG1 4.04Å; I81-I85 PolarHBondContact O-N 2.93Å; S82-I85 PolarHBondContact O-N 3Å; I85-G88 PolarHBondContact O-N 2.72Å; I85-L89 HydrophobicContact CG2-CD1 3.79Å; I85-L89 HydrophobicContact CG2-CG 4.27Å; I85-L89 WeakPolarHBondContact O-CB 3.18Å; I85-L89 WeakPolarHBondContact O-CG 3.23Å; I85-L89 PolarHBondContact O-N 3.15Å; I85-I179 HydrophobicContact CD1-CG2 4.01Å; I85-I179 HydrophobicContact CG1-CD1 4.47Å; I85-I179 HydrophobicContact CG1-CG2 3.83Å; I85-I183 HydrophobicContact CD1-CD1 4.26Å
86T80.1Confident76.3Confident47 Ų4732.6 Ų32.629%0.28819%0.192SC..Hα-helixtrans-64.8-45.3-179.449.20000112.3S82 P83 G88 L89 I90S82-T86 WeakPolarHBondContact O-CB 3.39Å; S82-T86 VanDerWaalsContact O-CG2 3.28Å; S82-T86 WeakPolarHBondContact O-CG2 3.31Å; S82-T86 PolarHBondContact O-N 3.17Å; S82-T86 PolarHBondContact O-OG1 2.72Å; P83-T86 WeakPolarHBondContact CA-OG1 3.25Å; P83-T86 PolarHBondContact O-OG1 3.2Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-G88 PolarHBondContact O-N 2.84Å; T86-L89 PolarHBondContact O-N 3.45Å; T86-I90 WeakPolarHBondContact O-CB 3.47Å; T86-I90 WeakPolarHBondContact O-CD1 3.13Å; T86-I90 WeakPolarHBondContact O-CG1 3.19Å; T86-I90 PolarHBondContact O-N 3.07Å
87S80.7Confident76.5Confident4 Ų436.4 Ų36.43%0.02821%0.212CC..Hα-helixtrans-62.3-40.8174.756.30000112.3P83 I84 I90 M91P83-S87 VanDerWaalsContact O-CB 3.29Å; P83-S87 WeakPolarHBondContact O-CB 3.49Å; P83-S87 PolarHBondContact O-N 2.82Å; P83-S87 PolarHBondContact O-OG 3.03Å; I84-S87 PolarHBondContact O-OG 2.82Å; S87-I90 PolarHBondContact O-N 2.85Å; S87-M91 WeakPolarHBondContact O-CB 3.32Å; S87-M91 VanDerWaalsContact O-CG 3.25Å; S87-M91 WeakPolarHBondContact O-CG 3.2Å; S87-M91 PolarHBondContact O-N 2.83Å
88G79.6Confident76.2Confident7 Ų744.1 Ų44.17%0.07225%0.248CC..Hα-helixtrans-59.8-49.4174.300000112.6I84 I85 T86 M91 Q92I84-G88 PolarHBondContact O-N 3.06Å; I85-G88 PolarHBondContact O-N 2.72Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-G88 PolarHBondContact O-N 2.84Å; G88-M91 PolarHBondContact O-N 2.97Å; G88-Q92 WeakPolarHBondContact O-CB 3.29Å; G88-Q92 VanDerWaalsContact O-CG 3.22Å; G88-Q92 WeakPolarHBondContact O-CG 3.26Å; G88-Q92 PolarHBondContact O-N 3.02Å
89L75.5Confident76Confident78 Ų7848.1 Ų48.141%0.40827%0.273SS..Hα-helixtrans-63.4-42.4178.5-73.8170.5000112.3I85 T86 Q92 L93I85-L89 HydrophobicContact CG2-CD1 3.79Å; I85-L89 HydrophobicContact CG2-CG 4.27Å; I85-L89 WeakPolarHBondContact O-CB 3.18Å; I85-L89 WeakPolarHBondContact O-CG 3.23Å; I85-L89 PolarHBondContact O-N 3.15Å; T86-L89 PolarHBondContact O-N 3.45Å; L89-Q92 PolarHBondContact O-N 3.46Å; L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.33Å; L89-L93 PolarHBondContact O-N 3.05Å
90I79.9Confident75.4Confident78 Ų7849.3 Ų49.340%0.428%0.279SS..Hα-helixtrans-62.9-46.1177.7-69.4163.4000110.2T86 S87 L93 L94 I123T86-I90 WeakPolarHBondContact O-CB 3.47Å; T86-I90 WeakPolarHBondContact O-CD1 3.13Å; T86-I90 WeakPolarHBondContact O-CG1 3.19Å; T86-I90 PolarHBondContact O-N 3.07Å; S87-I90 PolarHBondContact O-N 2.85Å; I90-L93 PolarHBondContact O-N 3.38Å; I90-L94 HydrophobicContact CG2-CD1 3.96Å; I90-L94 HydrophobicContact CG2-CG 4.44Å; I90-L94 WeakPolarHBondContact O-CB 3.36Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.42Å; I90-I123 HydrophobicContact CD1-CD1 4.09Å
91M78.8Confident74.5Confident3 Ų354.1 Ų54.12%0.01531%0.312CS..Hα-helixtrans-67.2-38.3179.5-70.8-62-67.200112.3S87 G88 L94 A95 F112 A115 Q116 F119S87-M91 WeakPolarHBondContact O-CB 3.32Å; S87-M91 VanDerWaalsContact O-CG 3.25Å; S87-M91 WeakPolarHBondContact O-CG 3.2Å; S87-M91 PolarHBondContact O-N 2.83Å; G88-M91 PolarHBondContact O-N 2.97Å; M91-L94 PolarHBondContact O-N 2.87Å; M91-L94 HydrophobicContact SD-CD1 4.18Å; M91-A95 WeakPolarHBondContact O-CB 3.42Å; M91-A95 PolarHBondContact O-N 2.93Å; M91-F112 HydrophobicContact CB-CE1 4.33Å; M91-F112 HydrophobicContact CB-CE2 4.02Å; M91-F112 HydrophobicContact CB-CZ 3.63Å; M91-F112 HydrophobicContact CE-CD2 3.62Å; M91-F112 HydrophobicContact CE-CE2 3.57Å; M91-F112 HydrophobicContact CE-CG 4.33Å; M91-F112 HydrophobicContact CE-CZ 4.22Å; M91-A115 HydrophobicContact CE-CB 3.88Å; M91-Q116 HydrophobicContact CG-CB 4.05Å; M91-Q116 HydrophobicContact CG-CG 4.25Å; M91-F119 HydrophobicContact CG-CD2 4.35Å; M91-F119 HydrophobicContact SD-CD2 3.59Å; M91-F119 VanDerWaalsContact SD-CD2 3.59Å; M91-F119 HydrophobicContact SD-CE2 3.68Å
92Q73.8Confident73.7Confident114 Ų11456.5 Ų56.553%0.53333%0.326SS..Hα-helixtrans-64.5-41.5173.2-75.7174.3-3.600111.9G88 L89 A95 G96G88-Q92 WeakPolarHBondContact O-CB 3.29Å; G88-Q92 VanDerWaalsContact O-CG 3.22Å; G88-Q92 WeakPolarHBondContact O-CG 3.26Å; G88-Q92 PolarHBondContact O-N 3.02Å; L89-Q92 PolarHBondContact O-N 3.46Å; Q92-A95 PolarHBondContact O-N 3.41Å; Q92-G96 PolarHBondContact O-N 3.48Å
93L78.5Confident72.9Confident111 Ų11157.3 Ų57.358%0.58134%0.336SS*.Hα-helixtrans-63.2-44.5175.5-177.667000111.2L89 I90 A95 G96 I97L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.33Å; L89-L93 PolarHBondContact O-N 3.05Å; I90-L93 PolarHBondContact O-N 3.38Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.47Å; L93-G96 PolarHBondContact O-N 2.93Å; L93-G96 VanDerWaalsContact O-N 3.17Å; L93-I97 HydrophobicContact CD1-CD1 3.96Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.85Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 2.91Å
94L78.1Confident72.2Confident53 Ų5363.4 Ų63.428%0.27737%0.369SS..Hα-helixtrans-63.5-36.9177.2-74.3171.2000112.9I90 M91 V99 L100I90-L94 HydrophobicContact CG2-CD1 3.96Å; I90-L94 HydrophobicContact CG2-CG 4.44Å; I90-L94 WeakPolarHBondContact O-CB 3.36Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.42Å; M91-L94 PolarHBondContact O-N 2.87Å; M91-L94 HydrophobicContact SD-CD1 4.18Å; L94-V99 PolarHBondContact O-N 2.82Å; L94-L100 HydrophobicContact CB-CD1 3.75Å; L94-L100 HydrophobicContact CD1-CD1 4.15Å; L94-L100 HydrophobicContact CG-CD1 4.38Å; L94-L100 PolarHBondContact O-N 3.36Å
95A71.6Confident71.9Confident35 Ų3565.2 Ų65.229%0.28939%0.385SS..Hα-helixtrans-69.7-38.9172.300000111.7M91 Q92 L93 Q98 F112M91-A95 WeakPolarHBondContact O-CB 3.42Å; M91-A95 PolarHBondContact O-N 2.93Å; Q92-A95 PolarHBondContact O-N 3.41Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.47Å; A95-Q98 WeakPolarHBondContact O-CA 3.23Å; A95-Q98 PolarHBondContact O-N 3.03Å; A95-Q98 VanDerWaalsContact O-N 3.11Å; A95-F112 HydrophobicContact CB-CE2 4.27Å
96G70.1Confident71.5Confident59 Ų5968.7 Ų68.761%0.60841%0.409SS*.Hα-helixtrans-67.8-38.6-179.900000114.1Q92 L93 Q98Q92-G96 PolarHBondContact O-N 3.48Å; L93-G96 PolarHBondContact O-N 2.93Å; L93-G96 VanDerWaalsContact O-N 3.17Å; G96-Q98 PolarHBondContact O-N 3.31Å; G96-Q98 VanDerWaalsContact O-N 3.14Å
97I77.1Confident71.2Confident107 Ų10774.3 Ų74.355%0.54943%0.43SS..THydrogen-bonded Turntrans-730.2174-55.8165.5000110.9L93 V99L93-I97 HydrophobicContact CD1-CD1 3.96Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.85Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 2.91Å; I97-V99 HydrophobicContact CB-CG2 4.07Å; I97-V99 HydrophobicContact CG2-CG2 3.73Å; I97-V99 PolarHBondContact O-N 3.3Å
98Q68.2Low70.8Confident165 Ų16576.3 Ų76.377%0.77144%0.44SS*.THydrogen-bonded Turntrans58.414.3-176.6-57.6-175.4-30.300114.4A95 G96 L100A95-Q98 WeakPolarHBondContact O-CA 3.23Å; A95-Q98 PolarHBondContact O-N 3.03Å; A95-Q98 VanDerWaalsContact O-N 3.11Å; G96-Q98 PolarHBondContact O-N 3.31Å; G96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-L100 PolarHBondContact O-N 3.29Å
99V65.5Low70.4Confident92 Ų9282.3 Ų82.356%0.55846%0.46SS*.SBendtrans-63.9-35.7172.6-179.70000109.8L94 I97L94-V99 PolarHBondContact O-N 2.82Å; I97-V99 HydrophobicContact CB-CG2 4.07Å; I97-V99 HydrophobicContact CG2-CG2 3.73Å; I97-V99 PolarHBondContact O-N 3.3Å
100L62Low70.2Confident28 Ų2880.6 Ų80.615%0.14746%0.458CS..SBendtrans-106.6101.8166.8-85.2115.1000110.3L6 L94 Q98 V102L6-L100 HydrophobicContact CD2-CD2 4.32Å; L6-L100 HydrophobicContact CG-CD2 4.28Å; L94-L100 HydrophobicContact CB-CD1 3.75Å; L94-L100 HydrophobicContact CD1-CD1 4.15Å; L94-L100 HydrophobicContact CG-CD1 4.38Å; L94-L100 PolarHBondContact O-N 3.36Å; Q98-L100 PolarHBondContact O-N 3.29Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 HydrophobicContact CB-CG2 4.33Å; L100-V102 PolarHBondContact O-N 2.96Å
101S56Low69.9Low107 Ų10778.4 Ų78.475%0.74845%0.447SS*.  trans-74.386.2164.762.20000109.2G103S101-G103 PolarHBondContact O-N 3.07Å
102V59.7Low69.8Low49 Ų4979.8 Ų79.830%0.29745%0.453SS..  trans-74.3110.2172.5-173.80000107.3L100 D108 F112L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 HydrophobicContact CB-CG2 4.33Å; L100-V102 PolarHBondContact O-N 2.96Å; V102-D108 HydrophobicContact CG1-CB 4.28Å; V102-F112 HydrophobicContact CG1-CB 4.23Å; V102-F112 HydrophobicContact CG1-CD2 4.5Å; V102-F112 HydrophobicContact CG2-CD2 3.52Å; V102-F112 HydrophobicContact CG2-CE2 3.99Å; V102-F112 HydrophobicContact CG2-CG 4.32Å
103G59.5Low69.9Low29 Ų2977.2 Ų77.230%0.29944%0.443SS..  trans-67.6155.1172.900000111.2S101 A105 D108S101-G103 PolarHBondContact O-N 3.07Å; G103-A105 PolarHBondContact O-N 3.06Å; G103-D108 WeakPolarHBondContact O-CB 3.47Å
104D64.4Low69.8Low130 Ų13072.3 Ų72.370%0.69542%0.419SS*.SBendtrans-67.5-3.2173.4-77.9-48.1000113.9R109D104-R109 IonicContact OD1-CZ 3.32Å; D104-R109 IonicContact OD1-NE 3.54Å; D104-R109 IonicContact OD1-NH2 3.16Å; D104-R109 PolarHBondContact OD1-NH2 3.42Å
105A71.9Confident69.9Low44 Ų4469.9 Ų69.936%0.36441%0.406SS..SBendtrans-57.113517700000110.2G103 K107 D108 R109G103-A105 PolarHBondContact O-N 3.06Å; A105-K107 PolarHBondContact O-N 3.2Å; A105-D108 HydrophobicContact CB-CB 4.43Å; A105-D108 PolarHBondContact O-N 3.32Å; A105-R109 PolarHBondContact O-N 3.22Å; A105-R109 VanDerWaalsContact O-N 3.11Å
106P71.1Confident70.3Confident103 Ų10369.8 Ų69.867%0.66940%0.4SS*.Hα-helixtrans-59.6-27.8-177.923.7-34.1000112.4A110P106-A110 WeakPolarHBondContact O-CB 3.39Å; P106-A110 PolarHBondContact O-N 3.46Å
107K73Confident70.8Confident165 Ų16568.4 Ų68.472%0.71738%0.377SS*.Hα-helixtrans-66.6-43.3174.3-66-174.7178.8-178.90112.1A105 A110 L111A105-K107 PolarHBondContact O-N 3.2Å; K107-A110 PolarHBondContact O-N 3.09Å; K107-L111 WeakPolarHBondContact O-CG 3.31Å; K107-L111 PolarHBondContact O-N 3.32Å
108D72Confident71.1Confident45 Ų4564.9 Ų64.924%0.24136%0.359CS..Hα-helixtrans-70.9-37.6-179-67.4-13.7000110.7V102 G103 A105 L111 F112V102-D108 HydrophobicContact CG1-CB 4.28Å; G103-D108 WeakPolarHBondContact O-CB 3.47Å; A105-D108 HydrophobicContact CB-CB 4.43Å; A105-D108 PolarHBondContact O-N 3.32Å; D108-L111 PolarHBondContact O-N 3.42Å; D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 2.83Å
109R70.9Confident71.8Confident133 Ų13359.6 Ų59.650%0.50233%0.334SS..Hα-helixtrans-62.8-41171.6-67.5-174.8177.4-172.80.8112.4D104 A105 F112 N113D104-R109 IonicContact OD1-CZ 3.32Å; D104-R109 IonicContact OD1-NE 3.54Å; D104-R109 IonicContact OD1-NH2 3.16Å; D104-R109 PolarHBondContact OD1-NH2 3.42Å; A105-R109 PolarHBondContact O-N 3.22Å; A105-R109 VanDerWaalsContact O-N 3.11Å; R109-F112 PolarHBondContact O-N 3.3Å; R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 2.79Å; R109-N113 PolarHBondContact O-OD1 3.03Å
110A71.5Confident72.7Confident43 Ų4355.2 Ų55.236%0.35531%0.307SS..Hα-helixtrans-65.1-42175.400000111.7P106 K107 N113 G114P106-A110 WeakPolarHBondContact O-CB 3.39Å; P106-A110 PolarHBondContact O-N 3.46Å; K107-A110 PolarHBondContact O-N 3.09Å; A110-N113 PolarHBondContact O-N 2.8Å; A110-G114 PolarHBondContact O-N 2.91Å
111L74.2Confident73.8Confident31 Ų3156.1 Ų56.116%0.16231%0.311CS..Hα-helixtrans-65.6-39.2176-70.3168.7000112.3L6 K10 K107 D108 G114 A115L6-L111 HydrophobicContact CB-CD1 4.41Å; L6-L111 HydrophobicContact CD2-CB 3.88Å; K10-L111 HydrophobicContact CG-CD2 3.82Å; K107-L111 WeakPolarHBondContact O-CG 3.31Å; K107-L111 PolarHBondContact O-N 3.32Å; D108-L111 PolarHBondContact O-N 3.42Å; L111-G114 PolarHBondContact O-N 3.06Å; L111-A115 WeakPolarHBondContact O-CB 3.4Å; L111-A115 PolarHBondContact O-N 3.44Å
112F76.4Confident75.3Confident32 Ų3255.2 Ų55.214%0.1430%0.301CS..Hα-helixtrans-61.1-46.3174.7-176-92.6000111.3M91 A95 V102 D108 R109 G114 A115 Q116M91-F112 HydrophobicContact CB-CE1 4.33Å; M91-F112 HydrophobicContact CB-CE2 4.02Å; M91-F112 HydrophobicContact CB-CZ 3.63Å; M91-F112 HydrophobicContact CE-CD2 3.62Å; M91-F112 HydrophobicContact CE-CE2 3.57Å; M91-F112 HydrophobicContact CE-CG 4.33Å; M91-F112 HydrophobicContact CE-CZ 4.22Å; A95-F112 HydrophobicContact CB-CE2 4.27Å; V102-F112 HydrophobicContact CG1-CB 4.23Å; V102-F112 HydrophobicContact CG1-CD2 4.5Å; V102-F112 HydrophobicContact CG2-CD2 3.52Å; V102-F112 HydrophobicContact CG2-CE2 3.99Å; V102-F112 HydrophobicContact CG2-CG 4.32Å; D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 2.83Å; R109-F112 PolarHBondContact O-N 3.3Å; F112-G114 PolarHBondContact O-N 3.23Å; F112-A115 PolarHBondContact O-N 3.33Å; F112-Q116 WeakPolarHBondContact O-CB 3.21Å; F112-Q116 PolarHBondContact O-N 3.22Å
113N76.5Confident76.5Confident61 Ų6154.6 Ų54.633%0.32630%0.295SS..Hα-helixtrans-64.3-40.7176.3-68.7-1.3000111.8R109 A110 Q116 K117R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 2.79Å; R109-N113 PolarHBondContact O-OD1 3.03Å; A110-N113 PolarHBondContact O-N 2.8Å; N113-Q116 PolarHBondContact O-N 3.07Å; N113-K117 WeakPolarHBondContact O-CG 3.44Å; N113-K117 PolarHBondContact O-N 3.38Å
114G76.8Confident77.8Confident8 Ų853.4 Ų53.48%0.08228%0.282CS..Hα-helixtrans-62-43.3174.300000112.4A110 L111 F112 K117 L118A110-G114 PolarHBondContact O-N 2.91Å; L111-G114 PolarHBondContact O-N 3.06Å; F112-G114 PolarHBondContact O-N 3.23Å; G114-K117 PolarHBondContact O-N 2.84Å; G114-L118 PolarHBondContact O-N 3.44Å
115A79.3Confident78.9Confident1 Ų150.1 Ų50.11%0.00827%0.267CS..Hα-helixtrans-65.2-44.6176.900000112.1V9 M91 L111 F112 K117 L118 F119V9-A115 HydrophobicContact CG1-CB 4.2Å; M91-A115 HydrophobicContact CE-CB 3.88Å; L111-A115 WeakPolarHBondContact O-CB 3.4Å; L111-A115 PolarHBondContact O-N 3.44Å; F112-A115 PolarHBondContact O-N 3.33Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 2.95Å; A115-L118 PolarHBondContact O-N 2.9Å; A115-L118 VanDerWaalsContact O-N 3.14Å; A115-F119 WeakPolarHBondContact O-CD2 3.44Å; A115-F119 PolarHBondContact O-N 3.42Å
116Q80.1Confident79.6Confident34 Ų3449.7 Ų49.716%0.15927%0.267CS..Hα-helixtrans-56.6-42.4176.6-176.3-178.5-27.700111.5M91 F112 N113 F119 G120M91-Q116 HydrophobicContact CG-CB 4.05Å; M91-Q116 HydrophobicContact CG-CG 4.25Å; F112-Q116 WeakPolarHBondContact O-CB 3.21Å; F112-Q116 PolarHBondContact O-N 3.22Å; N113-Q116 PolarHBondContact O-N 3.07Å; Q116-F119 PolarHBondContact O-N 2.88Å; Q116-G120 PolarHBondContact O-N 2.94Å
117K79.6Confident80.1Confident30 Ų3047 Ų4713%0.1325%0.246CC..Hα-helixtrans-67.3-41.3175.7-69179.5-163.3166.80113.2E18 N113 G114 A115 F119 G120 M121 L163 E167E18-K117 VanDerWaalsContact CG-NZ 3.31Å; E18-K117 IonicContact OE1-NZ 3.1Å; N113-K117 WeakPolarHBondContact O-CG 3.44Å; N113-K117 PolarHBondContact O-N 3.38Å; G114-K117 PolarHBondContact O-N 2.84Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 2.95Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.11Å; K117-G120 CarbonylContact O-C 3.59Å; K117-G120 WeakPolarHBondContact O-CA 3.39Å; K117-G120 PolarHBondContact O-N 2.92Å; K117-G120 VanDerWaalsContact O-N 3.15Å; K117-M121 PolarHBondContact O-N 3.19Å; K117-L163 HydrophobicContact CB-CD2 4.19Å; K117-L163 HydrophobicContact CD-CD2 4.16Å; K117-L163 HydrophobicContact CG-CD2 3.98Å; K117-E167 WeakPolarHBondContact CD-OE2 3.42Å; K117-E167 VanDerWaalsContact CE-CD 3.4Å; K117-E167 WeakPolarHBondContact CE-OE2 3.48Å; K117-E167 IonicContact NZ-OE1 3.78Å; K117-E167 PolarHBondContact NZ-OE1 2.98Å; K117-E167 IonicContact NZ-OE2 3.78Å; K117-E167 PolarHBondContact NZ-OE2 3.5Å
118L83.6Confident80.5Confident32 Ų3239.2 Ų39.217%0.16821%0.212CC..Hα-helixtrans-59.6-47.1176.6-172.1139.1000110.4V9 F12 L16 G114 A115 G120 M121 V122V9-L118 HydrophobicContact CG1-CD1 4.2Å; F12-L118 HydrophobicContact CB-CD1 3.23Å; F12-L118 HydrophobicContact CG-CD1 3.98Å; L16-L118 HydrophobicContact CD1-CB 3.94Å; L16-L118 HydrophobicContact CD1-CD1 4.04Å; L16-L118 HydrophobicContact CD1-CG 4.42Å; G114-L118 PolarHBondContact O-N 3.44Å; A115-L118 PolarHBondContact O-N 2.9Å; A115-L118 VanDerWaalsContact O-N 3.14Å; L118-G120 VanDerWaalsContact C-N 3.32Å; L118-G120 PolarHBondContact O-N 3.32Å; L118-M121 PolarHBondContact O-N 2.84Å; L118-V122 HydrophobicContact CD2-CG2 4.16Å; L118-V122 VanDerWaalsContact O-CG2 3.32Å; L118-V122 WeakPolarHBondContact O-CG2 3.43Å; L118-V122 PolarHBondContact O-N 2.78Å
119F84Confident81Confident55 Ų5538.7 Ų38.724%0.24121%0.212CC..Hα-helixtrans-60.4-42.8173.4-79.5-65.4000111.7F5 M91 A115 Q116 K117 M121 V122 I123F5-F119 AromaticContact CE1-CE2 3.86Å; F5-F119 HydrophobicContact CE1-CE2 3.86Å; F5-F119 AromaticContact CE1-CZ 3.67Å; F5-F119 HydrophobicContact CE1-CZ 3.67Å; F5-F119 HydrophobicContact CZ-CE2 4.41Å; F5-F119 AromaticContact CZ-CZ 3.76Å; F5-F119 HydrophobicContact CZ-CZ 3.76Å; M91-F119 HydrophobicContact CG-CD2 4.35Å; M91-F119 HydrophobicContact SD-CD2 3.59Å; M91-F119 VanDerWaalsContact SD-CD2 3.59Å; M91-F119 HydrophobicContact SD-CE2 3.68Å; A115-F119 WeakPolarHBondContact O-CD2 3.44Å; A115-F119 PolarHBondContact O-N 3.42Å; Q116-F119 PolarHBondContact O-N 2.88Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.11Å; F119-M121 PolarHBondContact O-N 3.19Å; F119-V122 PolarHBondContact O-N 3.45Å; F119-I123 WeakPolarHBondContact O-CB 3.21Å; F119-I123 WeakPolarHBondContact O-CD1 3.26Å; F119-I123 WeakPolarHBondContact O-CG1 3.47Å; F119-I123 PolarHBondContact O-N 3.34Å
120G84.3Confident81.5Confident0 Ų036.9 Ų36.90%022%0.215CC..Hα-helixtrans-55.7-47.7174.400000112.3Q116 K117 L118 I123 T124Q116-G120 PolarHBondContact O-N 2.94Å; K117-G120 CarbonylContact O-C 3.59Å; K117-G120 WeakPolarHBondContact O-CA 3.39Å; K117-G120 PolarHBondContact O-N 2.92Å; K117-G120 VanDerWaalsContact O-N 3.15Å; L118-G120 VanDerWaalsContact C-N 3.32Å; L118-G120 PolarHBondContact O-N 3.32Å; G120-I123 PolarHBondContact O-N 3.43Å; G120-T124 PolarHBondContact O-N 3.44Å; G120-T124 PolarHBondContact O-OG1 3.23Å
121M84.6Confident81.7Confident47 Ų4736.7 Ų36.723%0.23221%0.206CC..Hα-helixtrans-65.1-44179.1-170178.8-61.900112.4L16 K117 L118 F119 I123 T124 V125 L160L16-M121 HydrophobicContact CD2-CE 3.34Å; L16-M121 HydrophobicContact CD2-SD 3.89Å; K117-M121 PolarHBondContact O-N 3.19Å; L118-M121 PolarHBondContact O-N 2.84Å; F119-M121 PolarHBondContact O-N 3.19Å; M121-I123 VanDerWaalsContact C-N 3.34Å; M121-I123 PolarHBondContact O-N 2.88Å; M121-T124 WeakPolarHBondContact O-CB 3.48Å; M121-T124 PolarHBondContact O-N 3.48Å; M121-V125 WeakPolarHBondContact O-CG2 3.26Å; M121-V125 PolarHBondContact O-N 3.46Å; M121-L160 HydrophobicContact CE-CD1 3.52Å; M121-L160 HydrophobicContact CE-CG 4.38Å; M121-L160 HydrophobicContact CG-CD1 4.47Å; M121-L160 HydrophobicContact SD-CD1 4.04Å
122V87.3Confident81.8Confident88 Ų8835.7 Ų35.753%0.53320%0.201SC..Hα-helixtrans-62.8-42.4176.5172.60000110.9L118 F119 V125 G126L118-V122 HydrophobicContact CD2-CG2 4.16Å; L118-V122 VanDerWaalsContact O-CG2 3.32Å; L118-V122 WeakPolarHBondContact O-CG2 3.43Å; L118-V122 PolarHBondContact O-N 2.78Å; F119-V122 PolarHBondContact O-N 3.45Å; V122-V125 PolarHBondContact O-N 3.26Å; V122-G126 PolarHBondContact O-N 2.86Å
123I86.5Confident81.6Confident35 Ų3541.1 Ų41.118%0.17923%0.228CC..Hα-helixtrans-65.6-41.2176.7-68.2167000110.5P83 I90 F119 G120 M121 V125 G126 Q127P83-I123 HydrophobicContact CB-CB 4.4Å; P83-I123 HydrophobicContact CB-CG2 4.02Å; I90-I123 HydrophobicContact CD1-CD1 4.09Å; F119-I123 WeakPolarHBondContact O-CB 3.21Å; F119-I123 WeakPolarHBondContact O-CD1 3.26Å; F119-I123 WeakPolarHBondContact O-CG1 3.47Å; F119-I123 PolarHBondContact O-N 3.34Å; G120-I123 PolarHBondContact O-N 3.43Å; M121-I123 VanDerWaalsContact C-N 3.34Å; M121-I123 PolarHBondContact O-N 2.88Å; I123-V125 PolarHBondContact O-N 2.99Å; I123-G126 PolarHBondContact O-N 3.4Å; I123-Q127 HydrophobicContact CG2-CG 3.98Å; I123-Q127 VanDerWaalsContact O-CB 3.3Å; I123-Q127 WeakPolarHBondContact O-CB 3.43Å; I123-Q127 WeakPolarHBondContact O-CG 3.45Å; I123-Q127 PolarHBondContact O-N 3.3Å
124T85.7Confident81.3Confident4 Ų441.5 Ų41.53%0.02524%0.236CC..Hα-helixtrans-57.9-48.9175.6-60.90000111.3P83 G120 M121 A128P83-T124 WeakPolarHBondContact CB-OG1 3.4Å; P83-T124 WeakPolarHBondContact CG-OG1 3.45Å; G120-T124 PolarHBondContact O-N 3.44Å; G120-T124 PolarHBondContact O-OG1 3.23Å; M121-T124 WeakPolarHBondContact O-CB 3.48Å; M121-T124 PolarHBondContact O-N 3.48Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 3.17Å
125V86.7Confident80.7Confident61 Ų6142.3 Ų42.337%0.3724%0.244SC..Hα-helixtrans-63.8-43.2178.6174.60000111M121 V122 I123 S129 T156M121-V125 WeakPolarHBondContact O-CG2 3.26Å; M121-V125 PolarHBondContact O-N 3.46Å; V122-V125 PolarHBondContact O-N 3.26Å; I123-V125 PolarHBondContact O-N 2.99Å; V125-S129 WeakPolarHBondContact O-CB 3.34Å; V125-S129 PolarHBondContact O-N 2.92Å; V125-S129 PolarHBondContact O-OG 3.43Å; V125-T156 HydrophobicContact CG2-CG2 3.64Å
126G86.9Confident80Confident36 Ų3644 Ų4437%0.37125%0.253SS..Hα-helixtrans-64-48.4178.500000112.5V122 I123 S129 V130V122-G126 PolarHBondContact O-N 2.86Å; I123-G126 PolarHBondContact O-N 3.4Å; G126-S129 PolarHBondContact O-N 3.48Å; G126-V130 VanDerWaalsContact O-CG2 3.3Å; G126-V130 WeakPolarHBondContact O-CG2 3.32Å; G126-V130 PolarHBondContact O-N 3.16Å
127Q82.5Confident79Confident47 Ų4742.8 Ų42.822%0.2225%0.247CC..Hα-helixtrans-64.3-45.6177.1-75.2-177-19.300111.1L79 S82 I123 S129 V130 Y131L79-Q127 HydrophobicContact CD2-CB 3.29Å; L79-Q127 HydrophobicContact CD2-CG 4.4Å; S82-Q127 PolarHBondContact OG-OE1 3.49Å; I123-Q127 HydrophobicContact CG2-CG 3.98Å; I123-Q127 VanDerWaalsContact O-CB 3.3Å; I123-Q127 WeakPolarHBondContact O-CB 3.43Å; I123-Q127 WeakPolarHBondContact O-CG 3.45Å; I123-Q127 PolarHBondContact O-N 3.3Å; Q127-S129 VanDerWaalsContact C-N 3.25Å; Q127-S129 PolarHBondContact O-N 2.89Å; Q127-V130 PolarHBondContact O-N 3.49Å; Q127-V130 VanDerWaalsContact O-N 3.08Å; Q127-Y131 HydrophobicContact CB-CD2 4.21Å; Q127-Y131 HydrophobicContact CB-CE2 4.19Å; Q127-Y131 WeakPolarHBondContact O-CD2 3.29Å; Q127-Y131 PolarHBondContact O-N 3.44Å
128A82.1Confident78Confident0 Ų042.2 Ų42.20%025%0.249CC..Hα-helixtrans-56.5-42.1177.200000111.5L79 T124 Y131 V132 L155L79-A128 HydrophobicContact CD1-CB 3.95Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 3.17Å; A128-Y131 PolarHBondContact O-N 2.94Å; A128-V132 WeakPolarHBondContact O-CG2 3.39Å; A128-V132 PolarHBondContact O-N 3.34Å; A128-V132 VanDerWaalsContact O-N 3.17Å; A128-L155 HydrophobicContact CB-CB 3.96Å; A128-L155 HydrophobicContact CB-CD1 4.41Å
129S81.3Confident76.8Confident35 Ų3542.6 Ų42.625%0.24526%0.257CS..Hα-helixtrans-64.2-44.8175.7-55.50000111.8V125 G126 Q127 V132 M133V125-S129 WeakPolarHBondContact O-CB 3.34Å; V125-S129 PolarHBondContact O-N 2.92Å; V125-S129 PolarHBondContact O-OG 3.43Å; G126-S129 PolarHBondContact O-N 3.48Å; Q127-S129 VanDerWaalsContact C-N 3.25Å; Q127-S129 PolarHBondContact O-N 2.89Å; S129-V132 PolarHBondContact O-N 3.29Å; S129-M133 VanDerWaalsContact O-CB 3.32Å; S129-M133 WeakPolarHBondContact O-CB 3.46Å; S129-M133 VanDerWaalsContact O-CG 3.23Å; S129-M133 WeakPolarHBondContact O-CG 3.31Å; S129-M133 PolarHBondContact O-N 2.97Å
130V82.7Confident75.7Confident95 Ų9543.1 Ų43.158%0.57627%0.266SS*.Hα-helixtrans-65.8-39.3178.7172.30000112G126 Q127 M133 S134G126-V130 VanDerWaalsContact O-CG2 3.3Å; G126-V130 WeakPolarHBondContact O-CG2 3.32Å; G126-V130 PolarHBondContact O-N 3.16Å; Q127-V130 PolarHBondContact O-N 3.49Å; Q127-V130 VanDerWaalsContact O-N 3.08Å; V130-M133 PolarHBondContact O-N 3.46Å; V130-S134 VanDerWaalsContact O-CB 3.23Å; V130-S134 WeakPolarHBondContact O-CB 3.17Å; V130-S134 PolarHBondContact O-N 3.42Å; V130-S134 PolarHBondContact O-OG 3.47Å
131Y74.3Confident74.5Confident38 Ų3848 Ų4815%0.14930%0.3CS..Hα-helixtrans-65.2-37.7177.5-84.3-71.8000112.6L62 L79 Q127 A128 S134 I136L62-Y131 HydrophobicContact CD1-CE1 4.14Å; L79-Y131 HydrophobicContact CD2-CD2 4.14Å; L79-Y131 HydrophobicContact CD2-CE2 4.2Å; L79-Y131 HydrophobicContact CG-CD2 4.46Å; Q127-Y131 HydrophobicContact CB-CD2 4.21Å; Q127-Y131 HydrophobicContact CB-CE2 4.19Å; Q127-Y131 WeakPolarHBondContact O-CD2 3.29Å; Q127-Y131 PolarHBondContact O-N 3.44Å; A128-Y131 PolarHBondContact O-N 2.94Å; Y131-S134 PolarHBondContact O-OG 3.14Å; Y131-I136 HydrophobicContact CD1-CD1 4.02Å; Y131-I136 HydrophobicContact CE1-CD1 4.4Å
132V75.7Confident73.4Confident11 Ų1153.3 Ų53.37%0.06732%0.324CS..Hα-helixtrans-75-39.7175.8176.20000111A128 S129 G135 Y137 C148 I151 I152 L155A128-V132 WeakPolarHBondContact O-CG2 3.39Å; A128-V132 PolarHBondContact O-N 3.34Å; A128-V132 VanDerWaalsContact O-N 3.17Å; S129-V132 PolarHBondContact O-N 3.29Å; V132-G135 PolarHBondContact O-N 3.21Å; V132-Y137 HydrophobicContact CG2-CD2 4.36Å; V132-Y137 HydrophobicContact CG2-CE2 4.27Å; V132-C148 HydrophobicContact CG1-CB 3.8Å; V132-I151 HydrophobicContact CG2-CB 4.24Å; V132-I151 HydrophobicContact CG2-CG2 3.61Å; V132-I152 HydrophobicContact CB-CD1 4.3Å; V132-I152 HydrophobicContact CB-CG1 3.93Å; V132-I152 HydrophobicContact CG1-CD1 4.3Å; V132-I152 HydrophobicContact CG1-CG1 4.19Å; V132-I152 HydrophobicContact CG2-CG1 3.73Å; V132-L155 HydrophobicContact CG2-CD1 4.26Å
133M73.1Confident72.1Confident145 Ų14549.6 Ų49.671%0.71430%0.302SS*.Hα-helixtrans-70.8-29.1177.7-73.3-179.376.300113.8S129 V130 G135S129-M133 VanDerWaalsContact O-CB 3.32Å; S129-M133 WeakPolarHBondContact O-CB 3.46Å; S129-M133 VanDerWaalsContact O-CG 3.23Å; S129-M133 WeakPolarHBondContact O-CG 3.31Å; S129-M133 PolarHBondContact O-N 2.97Å; V130-M133 PolarHBondContact O-N 3.46Å; M133-G135 PolarHBondContact O-N 2.96Å
134S70.1Confident71.2Confident69 Ų6949.5 Ų49.548%0.48331%0.309SS..THydrogen-bonded Turntrans-69-8177.7650000113V130 Y131 I136V130-S134 VanDerWaalsContact O-CB 3.23Å; V130-S134 WeakPolarHBondContact O-CB 3.17Å; V130-S134 PolarHBondContact O-N 3.42Å; V130-S134 PolarHBondContact O-OG 3.47Å; Y131-S134 PolarHBondContact O-OG 3.14Å; S134-I136 VanDerWaalsContact C-N 3.29Å; S134-I136 PolarHBondContact O-N 3.21Å; S134-I136 WeakPolarHBondContact OG-CD1 3.47Å; S134-I136 WeakPolarHBondContact OG-CG1 3.43Å
135G63.9Low70.6Confident25 Ų2553.2 Ų53.226%0.25834%0.34SS..THydrogen-bonded Turntrans75.115.2173.400000114V132 M133 Y137 G138V132-G135 PolarHBondContact O-N 3.21Å; M133-G135 PolarHBondContact O-N 2.96Å; G135-Y137 PolarHBondContact O-N 3.06Å; G135-G138 WeakPolarHBondContact CA-O 3.43Å; G135-G138 PolarHBondContact O-N 3.42Å
136I64.2Low70.2Confident37 Ų3753 Ų5319%0.1935%0.351CS..THydrogen-bonded Turntrans-59.1-29.7179.5-68.9170.7000111.5S58 Y131 S134S58-I136 PolarHBondContact OG-O 3.43Å; Y131-I136 HydrophobicContact CD1-CD1 4.02Å; Y131-I136 HydrophobicContact CE1-CD1 4.4Å; S134-I136 VanDerWaalsContact C-N 3.29Å; S134-I136 PolarHBondContact O-N 3.21Å; S134-I136 WeakPolarHBondContact OG-CD1 3.47Å; S134-I136 WeakPolarHBondContact OG-CG1 3.43Å
137Y59.7Low69.7Low9 Ų954.2 Ų54.24%0.03535%0.348CS..THydrogen-bonded Turntrans-930.5177-52.9-69.8000114.7L50 I53 S55 E78 V132 G135L50-Y137 HydrophobicContact CD1-CE1 4.06Å; I53-Y137 HydrophobicContact CG1-CD1 4.35Å; S55-Y137 PolarHBondContact OG-O 3Å; E78-Y137 PolarHBondContact OE1-OH 3.46Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.47Å; E78-Y137 PolarHBondContact OE2-OH 3.05Å; V132-Y137 HydrophobicContact CG2-CD2 4.36Å; V132-Y137 HydrophobicContact CG2-CE2 4.27Å; G135-Y137 PolarHBondContact O-N 3.06Å
138G58.6Low69.3Low17 Ų1752.6 Ų52.618%0.17534%0.342CS..SBendtrans119.7160.9-173.500000112.1S55 G135 L143S55-G138 PolarHBondContact OG-N 3.43Å; G135-G138 WeakPolarHBondContact CA-O 3.43Å; G135-G138 PolarHBondContact O-N 3.42Å; G138-L143 VanDerWaalsContact CA-CD1 3.5Å; G138-L143 VanDerWaalsContact O-CD1 3.3Å; G138-L143 WeakPolarHBondContact O-CD1 3.26Å
139A59.5Low69.3Low40 Ų4058.4 Ų58.433%0.33137%0.372SS..  trans-63.8136.6-178.400000110.7S141 E142 L143A139-S141 PolarHBondContact O-N 2.88Å; A139-E142 HydrophobicContact CB-CG 4.46Å; A139-E142 PolarHBondContact O-N 3.35Å; A139-L143 VanDerWaalsContact O-CD1 3.28Å; A139-L143 WeakPolarHBondContact O-CD1 3.49Å; A139-L143 PolarHBondContact O-N 2.95Å
140P59.2Low69.5Low67 Ų6760.2 Ų60.244%0.43538%0.379SS..Hα-helixtrans-54.7-23.6179.2-25.132.2000114.1G144P140-G144 PolarHBondContact O-N 3.33Å
141S59.2Low69.4Low103 Ų10355.8 Ų55.872%0.7235%0.351SS*.Hα-helixtrans-72.5-27.3175.549.60000114.1A139A139-S141 PolarHBondContact O-N 2.88Å
142E62.2Low69.9Low157 Ų15756.2 Ų56.273%0.73436%0.356SS*.Hα-helixtrans-93.5-33.6-178.8-66.2-176.2173.700112.2A139 G144A139-E142 HydrophobicContact CB-CG 4.46Å; A139-E142 PolarHBondContact O-N 3.35Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 3.49Å
143L60.7Low70.4Confident11 Ų1162.3 Ų62.36%0.05838%0.382CS..Hα-helixtrans-74.1-22.1176.7-77.595.6000113.2G138 A139 I147 I151G138-L143 VanDerWaalsContact CA-CD1 3.5Å; G138-L143 VanDerWaalsContact O-CD1 3.3Å; G138-L143 WeakPolarHBondContact O-CD1 3.26Å; A139-L143 VanDerWaalsContact O-CD1 3.28Å; A139-L143 WeakPolarHBondContact O-CD1 3.49Å; A139-L143 PolarHBondContact O-N 2.95Å; L143-I147 HydrophobicContact CD2-CG2 4.21Å; L143-I147 WeakPolarHBondContact O-CB 3.4Å; L143-I147 WeakPolarHBondContact O-CD1 3.44Å; L143-I151 HydrophobicContact CD2-CD1 3.87Å
144G67Low71.1Confident33 Ų3357.1 Ų57.134%0.3436%0.356SS..Hα-helixtrans72.7137.9-169.200000111.8P140 E142 G146 I147 C148P140-G144 PolarHBondContact O-N 3.33Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 3.49Å; G144-G146 PolarHBondContact O-N 3.41Å; G144-I147 PolarHBondContact O-N 2.57Å; G144-C148 PolarHBondContact O-N 2.69Å
145A73.5Confident71.8Confident82 Ų8253.9 Ų53.968%0.67833%0.333SS*.Hα-helixtrans-55.9-28.7-174.800000113.6L149A145-L149 WeakPolarHBondContact O-CB 3.23Å; A145-L149 PolarHBondContact O-N 3.49Å
146G77.8Confident72.9Confident57 Ų5754.1 Ų54.159%0.58833%0.329SS*.Hα-helixtrans-66-43.3177.300000113.8G144 L149 L150G144-G146 PolarHBondContact O-N 3.41Å; G146-L149 PolarHBondContact O-N 2.89Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 3.3Å; G146-L150 VanDerWaalsContact O-N 3.08Å
147I77.3Confident73.9Confident61 Ų6158.3 Ų58.331%0.31335%0.347SS..Hα-helixtrans-72.8-40.3178.7-63.5175.3000109.8L143 G144 L149 L150 I151L143-I147 HydrophobicContact CD2-CG2 4.21Å; L143-I147 WeakPolarHBondContact O-CB 3.4Å; L143-I147 WeakPolarHBondContact O-CD1 3.44Å; G144-I147 PolarHBondContact O-N 2.57Å; I147-L149 VanDerWaalsContact C-N 3.32Å; I147-L149 PolarHBondContact O-N 3.47Å; I147-L150 PolarHBondContact O-N 2.94Å; I147-I151 HydrophobicContact CG2-CD1 3.97Å; I147-I151 HydrophobicContact CG2-CG1 4.39Å; I147-I151 WeakPolarHBondContact O-CG1 3.17Å; I147-I151 PolarHBondContact O-N 3.36Å
148C74.3Confident75.2Confident13 Ų1358.2 Ų58.29%0.08835%0.347CS..Hα-helixtrans-57-44.8173.7-670000112.1V132 G144 I151 I152V132-C148 HydrophobicContact CG1-CB 3.8Å; G144-C148 PolarHBondContact O-N 2.69Å; C148-I151 PolarHBondContact O-N 3.46Å; C148-I152 WeakPolarHBondContact O-CG1 3.38Å; C148-I152 PolarHBondContact O-N 2.67Å
149L81.8Confident76.5Confident121 Ų12157.8 Ų57.863%0.63434%0.343SS*.Hα-helixtrans-65.1-40.5178-163.3160.8000111.3A145 G146 I147 I151 I152 F153A145-L149 WeakPolarHBondContact O-CB 3.23Å; A145-L149 PolarHBondContact O-N 3.49Å; G146-L149 PolarHBondContact O-N 2.89Å; I147-L149 VanDerWaalsContact C-N 3.32Å; I147-L149 PolarHBondContact O-N 3.47Å; L149-I151 PolarHBondContact O-N 3.2Å; L149-I152 PolarHBondContact O-N 2.93Å; L149-F153 PolarHBondContact O-N 3.28Å
150L84.1Confident77.7Confident74 Ų7458 Ų5839%0.38734%0.339SS..Hα-helixtrans-62-43176.1-164.4162.8000111.4F51 G146 I147 F153 Q154F51-L150 HydrophobicContact CB-CD2 4.34Å; F51-L150 HydrophobicContact CD1-CD1 4.27Å; F51-L150 HydrophobicContact CD1-CD2 4.1Å; F51-L150 HydrophobicContact CE1-CD1 4.49Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 3.3Å; G146-L150 VanDerWaalsContact O-N 3.08Å; I147-L150 PolarHBondContact O-N 2.94Å; L150-F153 PolarHBondContact O-N 2.89Å; L150-Q154 WeakPolarHBondContact O-CB 3.24Å; L150-Q154 PolarHBondContact O-N 3.36Å
151I81.9Confident79Confident1 Ų157.3 Ų57.31%0.00533%0.331CS..Hα-helixtrans-61.3-45.7175.1-66.3166.8000110.8F51 V132 L143 I147 C148 L149 F153 Q154 L155F51-I151 VanDerWaalsContact O-CG1 3.23Å; F51-I151 WeakPolarHBondContact O-CG1 3.3Å; V132-I151 HydrophobicContact CG2-CB 4.24Å; V132-I151 HydrophobicContact CG2-CG2 3.61Å; L143-I151 HydrophobicContact CD2-CD1 3.87Å; I147-I151 HydrophobicContact CG2-CD1 3.97Å; I147-I151 HydrophobicContact CG2-CG1 4.39Å; I147-I151 WeakPolarHBondContact O-CG1 3.17Å; I147-I151 PolarHBondContact O-N 3.36Å; C148-I151 PolarHBondContact O-N 3.46Å; L149-I151 PolarHBondContact O-N 3.2Å; I151-F153 VanDerWaalsContact C-N 3.3Å; I151-F153 PolarHBondContact O-N 3.18Å; I151-Q154 PolarHBondContact O-N 2.85Å; I151-L155 HydrophobicContact CG2-CD1 3.72Å; I151-L155 HydrophobicContact CG2-CG 4.16Å; I151-L155 WeakPolarHBondContact O-CB 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.26Å; I151-L155 PolarHBondContact O-N 3.22Å
152I84.2Confident80.2Confident47 Ų4752.4 Ų52.424%0.24130%0.297CS..Hα-helixtrans-59-44.5177-66.2169.9000110.5V132 C148 L149 T156V132-I152 HydrophobicContact CB-CD1 4.3Å; V132-I152 HydrophobicContact CB-CG1 3.93Å; V132-I152 HydrophobicContact CG1-CD1 4.3Å; V132-I152 HydrophobicContact CG1-CG1 4.19Å; V132-I152 HydrophobicContact CG2-CG1 3.73Å; C148-I152 WeakPolarHBondContact O-CG1 3.38Å; C148-I152 PolarHBondContact O-N 2.67Å; L149-I152 PolarHBondContact O-N 2.93Å; I152-T156 VanDerWaalsContact O-CB 3.25Å; I152-T156 WeakPolarHBondContact O-CB 3.28Å; I152-T156 PolarHBondContact O-N 3.42Å; I152-T156 PolarHBondContact O-OG1 3.03Å
153F86.9Confident81.3Confident140 Ų14045.6 Ų45.661%0.61427%0.265SS*.Hα-helixtrans-63.7-44.6178.1-176.3-98.3000111.9L149 L150 I151 T156 F157L149-F153 PolarHBondContact O-N 3.28Å; L150-F153 PolarHBondContact O-N 2.89Å; I151-F153 VanDerWaalsContact C-N 3.3Å; I151-F153 PolarHBondContact O-N 3.18Å; F153-T156 PolarHBondContact O-N 3.21Å; F153-F157 WeakPolarHBondContact O-CB 3.37Å; F153-F157 PolarHBondContact O-N 3.12Å
154Q87.9Confident82.5Confident36 Ų3648 Ų4817%0.16828%0.277CS..Hα-helixtrans-62.6-46.6178.5-178.1174.31.900111.8L50 L76 L150 I151 F157 A158L50-Q154 HydrophobicContact CD2-CG 3.98Å; L76-Q154 HydrophobicContact CD2-CG 3.29Å; L150-Q154 WeakPolarHBondContact O-CB 3.24Å; L150-Q154 PolarHBondContact O-N 3.36Å; I151-Q154 PolarHBondContact O-N 2.85Å; Q154-F157 PolarHBondContact O-N 2.66Å; Q154-A158 WeakPolarHBondContact O-CB 3.37Å; Q154-A158 PolarHBondContact O-N 3.43Å
155L85Confident83.4Confident1 Ų147.2 Ų47.21%0.00526%0.264CS..Hα-helixtrans-64.7-40.8176.4-75.2175.7000112.2L50 E78 L79 A128 V132 I151 A158 G159L50-L155 HydrophobicContact CD1-CD2 3.95Å; L50-L155 HydrophobicContact CD2-CD2 3.63Å; L50-L155 HydrophobicContact CD2-CG 4.01Å; L50-L155 HydrophobicContact CG-CD2 4.43Å; E78-L155 HydrophobicContact CB-CD2 4.27Å; L79-L155 HydrophobicContact CD1-CB 3.69Å; L79-L155 HydrophobicContact CD1-CD1 4.38Å; L79-L155 HydrophobicContact CD1-CD2 3.97Å; L79-L155 HydrophobicContact CD1-CG 4.23Å; A128-L155 HydrophobicContact CB-CB 3.96Å; A128-L155 HydrophobicContact CB-CD1 4.41Å; V132-L155 HydrophobicContact CG2-CD1 4.26Å; I151-L155 HydrophobicContact CG2-CD1 3.72Å; I151-L155 HydrophobicContact CG2-CG 4.16Å; I151-L155 WeakPolarHBondContact O-CB 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.26Å; I151-L155 PolarHBondContact O-N 3.22Å; L155-A158 PolarHBondContact O-N 3.17Å; L155-G159 PolarHBondContact O-N 2.77Å
156T85.4Confident83.9Confident29 Ų2943.7 Ų43.718%0.17823%0.234CC..Hα-helixtrans-65-44.3177.2-59.60000111V125 I152 F153 G159 L160V125-T156 HydrophobicContact CG2-CG2 3.64Å; I152-T156 VanDerWaalsContact O-CB 3.25Å; I152-T156 WeakPolarHBondContact O-CB 3.28Å; I152-T156 PolarHBondContact O-N 3.42Å; I152-T156 PolarHBondContact O-OG1 3.03Å; F153-T156 PolarHBondContact O-N 3.21Å; T156-G159 PolarHBondContact O-N 3.31Å; T156-L160 WeakPolarHBondContact O-CB 3.47Å; T156-L160 PolarHBondContact O-N 2.83Å
157F86.7Confident84.2Confident126 Ų12641.2 Ų41.255%0.55321%0.207SC*.Hα-helixtrans-64.8-43.2178.3-171.2-97.1000111.7F153 Q154 L160 L161F153-F157 WeakPolarHBondContact O-CB 3.37Å; F153-F157 PolarHBondContact O-N 3.12Å; Q154-F157 PolarHBondContact O-N 2.66Å; F157-L160 PolarHBondContact O-N 3.33Å; F157-L161 WeakPolarHBondContact O-CB 3.48Å; F157-L161 PolarHBondContact O-N 3.32Å
158A86Confident84.5Confident6 Ų639.6 Ų39.65%0.0520%0.199CC..Hα-helixtrans-61.6-46.1174.500000111.9L76 Q154 L155 L160 L161 V162L76-A158 HydrophobicContact CB-CB 4.01Å; L76-A158 HydrophobicContact CD2-CB 4.25Å; L76-A158 VanDerWaalsContact O-CB 3.22Å; L76-A158 WeakPolarHBondContact O-CB 3.31Å; Q154-A158 WeakPolarHBondContact O-CB 3.37Å; Q154-A158 PolarHBondContact O-N 3.43Å; L155-A158 PolarHBondContact O-N 3.17Å; A158-L160 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 2.94Å; A158-L161 WeakPolarHBondContact O-CB 3.5Å; A158-L161 PolarHBondContact O-N 3.31Å; A158-V162 VanDerWaalsContact O-CG2 3.31Å; A158-V162 WeakPolarHBondContact O-CG2 3.29Å; A158-V162 PolarHBondContact O-N 3.26Å
159G85Confident84.9Confident8 Ų839.1 Ų39.18%0.08220%0.196CC..Hα-helixtrans-64.4-34.617700000113.4L155 T156 V162 L163L155-G159 PolarHBondContact O-N 2.77Å; T156-G159 PolarHBondContact O-N 3.31Å; G159-V162 PolarHBondContact O-N 3.33Å; G159-L163 WeakPolarHBondContact O-CB 3.49Å; G159-L163 PolarHBondContact O-N 3.46Å
160L85.5Confident84.8Confident46 Ų4637.7 Ų37.724%0.24119%0.186CC..Hα-helixtrans-68.5-41.2174-172.2137.4000111.7M121 T156 F157 A158 V162 L163 M164M121-L160 HydrophobicContact CE-CD1 3.52Å; M121-L160 HydrophobicContact CE-CG 4.38Å; M121-L160 HydrophobicContact CG-CD1 4.47Å; M121-L160 HydrophobicContact SD-CD1 4.04Å; T156-L160 WeakPolarHBondContact O-CB 3.47Å; T156-L160 PolarHBondContact O-N 2.83Å; F157-L160 PolarHBondContact O-N 3.33Å; A158-L160 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 2.94Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.47Å; L160-L163 PolarHBondContact O-N 3.49Å; L160-M164 HydrophobicContact CD2-CG 4.41Å; L160-M164 HydrophobicContact CD2-SD 3.9Å; L160-M164 WeakPolarHBondContact O-CG 3.23Å; L160-M164 PolarHBondContact O-N 3.38Å
161L86.8Confident84.6Confident51 Ų5135.6 Ų35.627%0.26717%0.174SC..Hα-helixtrans-58.8-46.2174.2-171.5161.1000110.7I41 F157 A158 L163 M164 L165I41-L161 HydrophobicContact CG2-CD2 4Å; F157-L161 WeakPolarHBondContact O-CB 3.48Å; F157-L161 PolarHBondContact O-N 3.32Å; A158-L161 WeakPolarHBondContact O-CB 3.5Å; A158-L161 PolarHBondContact O-N 3.31Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-L163 PolarHBondContact O-N 3.39Å; L161-M164 PolarHBondContact O-N 3.49Å; L161-L165 HydrophobicContact CD2-CD1 3.41Å; L161-L165 VanDerWaalsContact CD2-CD1 3.41Å; L161-L165 HydrophobicContact CD2-CG 3.8Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 3.37Å
162V85.4Confident84.2Confident1 Ų136.6 Ų36.61%0.00619%0.185CC..Hα-helixtrans-64.1-39.1179175.60000111.8M77 I84 A158 G159 L160 M164 L165 D166 F182M77-V162 HydrophobicContact CE-CG1 4.35Å; M77-V162 HydrophobicContact CE-CG2 3.48Å; M77-V162 VanDerWaalsContact CE-CG2 3.48Å; M77-V162 HydrophobicContact SD-CG2 3.4Å; M77-V162 WeakPolarHBondContact SD-CG2 3.43Å; I84-V162 HydrophobicContact CD1-CG1 3.84Å; A158-V162 VanDerWaalsContact O-CG2 3.31Å; A158-V162 WeakPolarHBondContact O-CG2 3.29Å; A158-V162 PolarHBondContact O-N 3.26Å; G159-V162 PolarHBondContact O-N 3.33Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.47Å; V162-M164 VanDerWaalsContact C-N 3.33Å; V162-M164 PolarHBondContact O-N 2.92Å; V162-L165 PolarHBondContact O-N 2.99Å; V162-D166 PolarHBondContact O-N 3.38Å; V162-F182 HydrophobicContact CG1-CE2 4.48Å
163L84.8Confident83.8Confident13 Ų1336.4 Ų36.47%0.06818%0.181CC..Hα-helixtrans-62-41.1174-170.5155.7000111.4I84 K117 G159 L160 L161 E167I84-L163 HydrophobicContact CD1-CB 4.35Å; K117-L163 HydrophobicContact CB-CD2 4.19Å; K117-L163 HydrophobicContact CD-CD2 4.16Å; K117-L163 HydrophobicContact CG-CD2 3.98Å; G159-L163 WeakPolarHBondContact O-CB 3.49Å; G159-L163 PolarHBondContact O-N 3.46Å; L160-L163 PolarHBondContact O-N 3.49Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-L163 PolarHBondContact O-N 3.39Å; L163-E167 WeakPolarHBondContact O-CB 3.2Å; L163-E167 PolarHBondContact O-N 3.04Å
164M84.5Confident83.1Confident62 Ų6230 Ų3031%0.30516%0.155SC..Hα-helixtrans-67.4-38.7174.6-68-172.476.700112.5P17 I19 L160 L161 V162 E167 L168P17-M164 HydrophobicContact CB-CE 4.22Å; P17-M164 HydrophobicContact CG-SD 4.45Å; I19-M164 HydrophobicContact CD1-CB 4.38Å; I19-M164 WeakPolarHBondContact CD1-O 3.48Å; I19-M164 HydrophobicContact CG1-CE 4.33Å; L160-M164 HydrophobicContact CD2-CG 4.41Å; L160-M164 HydrophobicContact CD2-SD 3.9Å; L160-M164 WeakPolarHBondContact O-CG 3.23Å; L160-M164 PolarHBondContact O-N 3.38Å; L161-M164 PolarHBondContact O-N 3.49Å; V162-M164 VanDerWaalsContact C-N 3.33Å; V162-M164 PolarHBondContact O-N 2.92Å; M164-E167 PolarHBondContact O-N 3.03Å; M164-L168 PolarHBondContact O-N 2.88Å
165L85.9Confident82.3Confident16 Ų1629.8 Ų29.88%0.08415%0.154CC..Hα-helixtrans-64.7-42.7176-70.5176.4000112.1T38 I41 L161 V162 E167 L168 L169 F182T38-L165 HydrophobicContact CG2-CD2 3.85Å; I41-L165 HydrophobicContact CB-CD1 4.39Å; I41-L165 HydrophobicContact CD1-CD2 4.38Å; I41-L165 HydrophobicContact CG2-CD1 3.99Å; L161-L165 HydrophobicContact CD2-CD1 3.41Å; L161-L165 VanDerWaalsContact CD2-CD1 3.41Å; L161-L165 HydrophobicContact CD2-CG 3.8Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 3.37Å; V162-L165 PolarHBondContact O-N 2.99Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.03Å; L165-L168 WeakPolarHBondContact O-CB 3.44Å; L165-L168 PolarHBondContact O-N 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 3.26Å; L165-F182 HydrophobicContact CB-CZ 3.99Å
166D85.1Confident81.6Confident8 Ų831 Ų314%0.04317%0.168CC..Hα-helixtrans-61.6-42.2175.2177.551.5000111I84 V162 L168 L169 Q170 G178 I179 F182I84-D166 HydrophobicContact CD1-CB 4.16Å; I84-D166 WeakPolarHBondContact CG2-OD2 3.33Å; V162-D166 PolarHBondContact O-N 3.38Å; D166-L168 PolarHBondContact O-N 3.48Å; D166-L169 PolarHBondContact O-N 2.93Å; D166-Q170 WeakPolarHBondContact O-CB 3.2Å; D166-Q170 WeakPolarHBondContact O-CG 3.44Å; D166-Q170 PolarHBondContact O-N 3.16Å; D166-Q170 PolarHBondContact OD1-NE2 2.87Å; D166-Q170 PolarHBondContact OD2-NE2 2.88Å; D166-G178 VanDerWaalsContact OD1-CA 3.27Å; D166-G178 WeakPolarHBondContact OD1-CA 3.18Å; D166-G178 PolarHBondContact OD1-N 3.23Å; D166-I179 PolarHBondContact OD1-N 2.91Å; D166-F182 HydrophobicContact CB-CE2 4.35Å
167E83.2Confident81.2Confident5 Ų532 Ų322%0.02318%0.175CC..Hα-helixtrans-62-42175.6179.4-177.9174.100113E18 I19 K117 L163 M164 L165 L169 Q170 K171E18-E167 WeakPolarHBondContact CG-OE1 3.32Å; I19-E167 HydrophobicContact CB-CG 4.21Å; I19-E167 HydrophobicContact CD1-CB 4.22Å; I19-E167 HydrophobicContact CD1-CG 4.23Å; I19-E167 HydrophobicContact CG1-CG 4.39Å; I19-E167 PolarHBondContact N-OE1 2.86Å; K117-E167 WeakPolarHBondContact CD-OE2 3.42Å; K117-E167 VanDerWaalsContact CE-CD 3.4Å; K117-E167 WeakPolarHBondContact CE-OE2 3.48Å; K117-E167 IonicContact NZ-OE1 3.78Å; K117-E167 PolarHBondContact NZ-OE1 2.98Å; K117-E167 IonicContact NZ-OE2 3.78Å; K117-E167 PolarHBondContact NZ-OE2 3.5Å; L163-E167 WeakPolarHBondContact O-CB 3.2Å; L163-E167 PolarHBondContact O-N 3.04Å; M164-E167 PolarHBondContact O-N 3.03Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.03Å; E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 2.88Å; E167-Q170 PolarHBondContact O-N 2.88Å; E167-K171 HydrophobicContact CG-CD 3.85Å; E167-K171 HydrophobicContact CG-CG 4.21Å; E167-K171 WeakPolarHBondContact O-CB 3.25Å; E167-K171 WeakPolarHBondContact O-CG 3.49Å; E167-K171 PolarHBondContact O-N 3.4Å; E167-K171 WeakPolarHBondContact OE1-CE 3.42Å; E167-K171 IonicContact OE1-NZ 2.72Å; E167-K171 PolarHBondContact OE1-NZ 2.75Å
168L84.8Confident80.7Confident27 Ų2726 Ų2614%0.14115%0.149CC..Hα-helixtrans-56.9-46.4177.5-169.8145.7000110I19 W34 T38 M164 L165 D166 Y173I19-L168 HydrophobicContact CD1-CB 3.68Å; I19-L168 HydrophobicContact CD1-CD1 4.39Å; I19-L168 HydrophobicContact CD1-CG 4.42Å; W34-L168 HydrophobicContact CE3-CD1 4.36Å; W34-L168 HydrophobicContact CE3-CD2 4.18Å; W34-L168 HydrophobicContact CZ3-CD1 4.35Å; T38-L168 HydrophobicContact CG2-CD2 3.72Å; M164-L168 PolarHBondContact O-N 2.88Å; L165-L168 WeakPolarHBondContact O-CB 3.44Å; L165-L168 PolarHBondContact O-N 3.25Å; D166-L168 PolarHBondContact O-N 3.48Å; L168-Y173 HydrophobicContact CD2-CG 4.15Å; L168-Y173 HydrophobicContact CG-CD2 4.27Å; L168-Y173 HydrophobicContact CG-CG 4.28Å; L168-Y173 WeakPolarHBondContact O-CB 3.33Å; L168-Y173 PolarHBondContact O-N 3.22Å
169L83.3Confident80.3Confident3 Ų327.2 Ų27.22%0.01616%0.155CC..Iπ-helixtrans-65.5-46.9178.7-67.4173.6000111.5T35 T38 L165 D166 E167 K171 G172 G174 G178 L181 F182T35-L169 HydrophobicContact CG2-CD2 4.45Å; T38-L169 HydrophobicContact CG2-CD2 4.28Å; T38-L169 HydrophobicContact CG2-CG 4.38Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 3.26Å; D166-L169 PolarHBondContact O-N 2.93Å; E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 2.88Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.33Å; L169-G172 PolarHBondContact O-N 3.23Å; L169-G174 PolarHBondContact O-N 3.46Å; L169-G178 VanDerWaalsContact CD1-CA 3.46Å; L169-L181 HydrophobicContact CD1-CD2 4.04Å; L169-F182 HydrophobicContact CD1-CE1 4.41Å; L169-F182 HydrophobicContact CD1-CZ 4.06Å
170Q79.4Confident80Confident91 Ų9128.1 Ų28.143%0.42516%0.16SC..Iπ-helixtrans-66.1-28.9-179.7-71.7-178.319.600114.2D166 E167 G172D166-Q170 WeakPolarHBondContact O-CB 3.2Å; D166-Q170 WeakPolarHBondContact O-CG 3.44Å; D166-Q170 PolarHBondContact O-N 3.16Å; D166-Q170 PolarHBondContact OD1-NE2 2.87Å; D166-Q170 PolarHBondContact OD2-NE2 2.88Å; E167-Q170 PolarHBondContact O-N 2.88Å; Q170-G172 PolarHBondContact O-N 3.11Å
171K78.7Confident79.9Confident30 Ų3026.9 Ų26.913%0.1315%0.153CC..Iπ-helixtrans-75.7-1178.7-76.4-173.5171.4-176.90114.3E18 I19 R21 P22 E167 L169E18-K171 VanDerWaalsContact CD-NZ 3.33Å; E18-K171 VanDerWaalsContact CG-NZ 3.34Å; E18-K171 IonicContact OE1-NZ 2.91Å; E18-K171 PolarHBondContact OE1-NZ 3.49Å; I19-K171 HydrophobicContact CB-CD 4.15Å; I19-K171 HydrophobicContact CG2-CD 4.39Å; I19-K171 WeakPolarHBondContact O-CD 3.42Å; I19-K171 WeakPolarHBondContact O-CE 3.48Å; I19-K171 PolarHBondContact O-NZ 2.99Å; R21-K171 HydrophobicContact CG-CB 4.48Å; R21-K171 HydrophobicContact CG-CD 4.07Å; R21-K171 HydrophobicContact CG-CG 4.2Å; P22-K171 WeakPolarHBondContact CD-O 3.38Å; E167-K171 HydrophobicContact CG-CD 3.85Å; E167-K171 HydrophobicContact CG-CG 4.21Å; E167-K171 WeakPolarHBondContact O-CB 3.25Å; E167-K171 WeakPolarHBondContact O-CG 3.49Å; E167-K171 PolarHBondContact O-N 3.4Å; E167-K171 WeakPolarHBondContact OE1-CE 3.42Å; E167-K171 IonicContact OE1-NZ 2.72Å; E167-K171 PolarHBondContact OE1-NZ 2.75Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.33Å
172G74.4Confident79.7Confident23 Ų2324.4 Ų24.424%0.23714%0.141CC..Iπ-helixtrans101.28.2172.700000114.7R31 L169 Q170 G174R31-G172 PolarHBondContact NE-O 2.87Å; L169-G172 PolarHBondContact O-N 3.23Å; Q170-G172 PolarHBondContact O-N 3.11Å; G172-G174 VanDerWaalsContact C-N 3.28Å
173Y75.4Confident79.4Confident43 Ų4324.6 Ų24.617%0.16914%0.141CC..Iπ-helixtrans-74.6-24.6162.8-65.1-92000111.2I19 P22 I26 R31 W34 L168I19-Y173 HydrophobicContact CG2-CE2 4.28Å; P22-Y173 HydrophobicContact CB-CE2 4.36Å; P22-Y173 HydrophobicContact CG-CE2 4.39Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CD2 4.38Å; I26-Y173 HydrophobicContact CD1-CE1 3.5Å; I26-Y173 HydrophobicContact CD1-CG 3.7Å; R31-Y173 VanDerWaalsContact CA-O 3.24Å; R31-Y173 WeakPolarHBondContact CA-O 3.37Å; W34-Y173 WeakPolarHBondContact CB-O 3.31Å; W34-Y173 HydrophobicContact CD2-CD1 4.38Å; W34-Y173 HydrophobicContact CG-CD1 4.33Å; L168-Y173 HydrophobicContact CD2-CG 4.15Å; L168-Y173 HydrophobicContact CG-CD2 4.27Å; L168-Y173 HydrophobicContact CG-CG 4.28Å; L168-Y173 WeakPolarHBondContact O-CB 3.33Å; L168-Y173 PolarHBondContact O-N 3.22Å
174G71.2Confident79.4Confident6 Ų624.2 Ų24.26%0.06214%0.14CC..SBendtrans-94.7163.3175.800000113.8T35 L169 G172 G176T35-G174 WeakPolarHBondContact OG1-CA 3.36Å; L169-G174 PolarHBondContact O-N 3.46Å; G172-G174 VanDerWaalsContact C-N 3.28Å; G174-G176 PolarHBondContact O-N 3.03Å
175L71Confident79.4Confident30 Ų3022.6 Ų22.616%0.15713%0.134CC..SBendtrans-77.9-4.1172.5-66.7157.2000113.2F28 R31 V32 T35 Y455F28-L175 HydrophobicContact CD2-CD2 4.02Å; F28-L175 HydrophobicContact CE2-CD2 3.31Å; F28-L175 HydrophobicContact CZ-CD2 3.76Å; R31-L175 HydrophobicContact CB-CD2 4.21Å; R31-L175 HydrophobicContact CB-CG 4.3Å; V32-L175 HydrophobicContact CB-CD1 4.38Å; V32-L175 HydrophobicContact CG2-CD1 3.77Å; V32-L175 HydrophobicContact CG2-CD2 4.42Å; T35-L175 PolarHBondContact OG1-N 3.4Å; L175-Y455 HydrophobicContact CB-CD1 3.94Å; L175-Y455 HydrophobicContact CB-CE1 4.01Å
176G71.8Confident79.3Confident28 Ų2822.1 Ų22.129%0.28913%0.131SC..SBendtrans178.7-163.2-174.400000112.7G174G174-G176 PolarHBondContact O-N 3.03Å
177S75.8Confident79.1Confident48 Ų4822 Ų2234%0.33613%0.131SC..  trans-74.1137.6-178.6177.90000111.9I179 S180 L181 Y455S177-I179 VanDerWaalsContact C-N 3.35Å; S177-I179 PolarHBondContact O-N 3.25Å; S177-S180 PolarHBondContact O-OG 3.5Å; S177-L181 PolarHBondContact O-N 2.85Å; S177-Y455 PolarHBondContact N-OH 3.24Å; S177-Y455 PolarHBondContact O-OH 2.93Å
178G76.3Confident79.1Confident0 Ų024.2 Ų24.20%015%0.146CC..Hα-helixtrans-63.3-40.8177.600000112.7D166 L169 S180 L181 F182D166-G178 VanDerWaalsContact OD1-CA 3.27Å; D166-G178 WeakPolarHBondContact OD1-CA 3.18Å; D166-G178 PolarHBondContact OD1-N 3.23Å; L169-G178 VanDerWaalsContact CD1-CA 3.46Å; G178-S180 PolarHBondContact O-N 3.33Å; G178-L181 WeakPolarHBondContact O-CB 3.32Å; G178-L181 PolarHBondContact O-N 3.45Å; G178-F182 WeakPolarHBondContact O-CD2 3.2Å; G178-F182 WeakPolarHBondContact O-CG 3.44Å; G178-F182 PolarHBondContact O-N 3.24Å
179I77.8Confident79Confident32 Ų3224.9 Ų24.916%0.16415%0.148CC..Hα-helixtrans-54.1-50.9-180-57.3175.4000111.9I81 I84 I85 D166 S177 L181 F182 I183I81-I179 HydrophobicContact CG2-CB 4.33Å; I81-I179 HydrophobicContact CG2-CG1 3.97Å; I81-I179 HydrophobicContact CG2-CG2 4.08Å; I84-I179 HydrophobicContact CG2-CD1 3.67Å; I84-I179 HydrophobicContact CG2-CG1 3.94Å; I85-I179 HydrophobicContact CD1-CG2 4.01Å; I85-I179 HydrophobicContact CG1-CD1 4.47Å; I85-I179 HydrophobicContact CG1-CG2 3.83Å; D166-I179 PolarHBondContact OD1-N 2.91Å; S177-I179 VanDerWaalsContact C-N 3.35Å; S177-I179 PolarHBondContact O-N 3.25Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 2.87Å; I179-F182 PolarHBondContact O-N 3.46Å; I179-I183 HydrophobicContact CG2-CD1 3.83Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.26Å; I179-I183 PolarHBondContact O-N 3.48Å; I179-I183 VanDerWaalsContact O-N 3.12Å
180S78.2Confident78.8Confident28 Ų2827.1 Ų27.120%0.19616%0.162CC..Hα-helixtrans-63.6-41.2-178.548.90000111.7S177 G178 A184 Y455S177-S180 PolarHBondContact O-OG 3.5Å; G178-S180 PolarHBondContact O-N 3.33Å; S180-A184 WeakPolarHBondContact O-CB 3.34Å; S180-A184 PolarHBondContact O-N 2.9Å; S180-Y455 PolarHBondContact OG-OH 3.39Å
181L83.7Confident78.8Confident19 Ų1924.9 Ų24.910%0.09915%0.153CC..Hα-helixtrans-63.6-47.7-179.7-165.572.3000111.4T35 L39 L169 S177 G178 I179 I183 A184 T185 Y455T35-L181 HydrophobicContact CG2-CD1 4.35Å; T35-L181 HydrophobicContact CG2-CD2 3.54Å; L39-L181 HydrophobicContact CD1-CD1 4.15Å; L39-L181 HydrophobicContact CD1-CD2 3.77Å; L39-L181 HydrophobicContact CD1-CG 4.02Å; L39-L181 HydrophobicContact CD2-CD2 3.72Å; L39-L181 HydrophobicContact CD2-CG 3.75Å; L39-L181 HydrophobicContact CG-CD2 3.54Å; L39-L181 HydrophobicContact CG-CG 4.02Å; L169-L181 HydrophobicContact CD1-CD2 4.04Å; S177-L181 PolarHBondContact O-N 2.85Å; G178-L181 WeakPolarHBondContact O-CB 3.32Å; G178-L181 PolarHBondContact O-N 3.45Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 2.87Å; L181-I183 PolarHBondContact O-N 2.98Å; L181-A184 PolarHBondContact O-N 2.82Å; L181-T185 PolarHBondContact O-N 2.92Å; L181-T185 PolarHBondContact O-OG1 2.88Å; L181-T185 VanDerWaalsContact O-OG1 3.07Å; L181-Y455 HydrophobicContact CB-CE2 4.45Å; L181-Y455 HydrophobicContact CD1-CD2 4.46Å; L181-Y455 HydrophobicContact CD1-CE1 4.46Å; L181-Y455 HydrophobicContact CD1-CE2 3.89Å
182F83.3Confident79.1Confident0 Ų027.4 Ų27.40%017%0.171CC..Hα-helixtrans-65.1-39.6-179.2-61.9-35.9000112.8L39 F42 I81 V162 L165 D166 L169 G178 I179 T185 N186L39-F182 HydrophobicContact CD2-CD1 4.37Å; F42-F182 HydrophobicContact CB-CD1 4.02Å; F42-F182 HydrophobicContact CB-CE1 3.82Å; F42-F182 AromaticContact CD1-CD1 3.94Å; F42-F182 HydrophobicContact CD1-CD1 3.94Å; F42-F182 HydrophobicContact CD2-CB 4.32Å; F42-F182 AromaticContact CD2-CD1 3.49Å; F42-F182 HydrophobicContact CD2-CD1 3.49Å; F42-F182 VanDerWaalsContact CD2-CD1 3.49Å; F42-F182 HydrophobicContact CD2-CD2 4.29Å; F42-F182 AromaticContact CD2-CE1 3.78Å; F42-F182 HydrophobicContact CD2-CE1 3.78Å; F42-F182 AromaticContact CD2-CG 3.79Å; F42-F182 HydrophobicContact CD2-CG 3.79Å; F42-F182 HydrophobicContact CD2-CZ 4.3Å; F42-F182 HydrophobicContact CE1-CB 4.18Å; F42-F182 HydrophobicContact CE1-CD1 4.29Å; F42-F182 HydrophobicContact CE2-CB 3.76Å; F42-F182 AromaticContact CE2-CD1 3.84Å; F42-F182 HydrophobicContact CE2-CD1 3.84Å; F42-F182 HydrophobicContact CE2-CD2 4.19Å; F42-F182 AromaticContact CE2-CG 3.67Å; F42-F182 HydrophobicContact CE2-CG 3.67Å; F42-F182 AromaticContact CG-CD1 3.54Å; F42-F182 HydrophobicContact CG-CD1 3.54Å; F42-F182 AromaticContact CG-CE1 3.83Å; F42-F182 HydrophobicContact CG-CE1 3.83Å; F42-F182 HydrophobicContact CG-CG 4.25Å; F42-F182 HydrophobicContact CZ-CB 3.71Å; F42-F182 HydrophobicContact CZ-CD1 4.26Å; F42-F182 HydrophobicContact CZ-CG 4.1Å; I81-F182 HydrophobicContact CD1-CB 3.35Å; I81-F182 HydrophobicContact CD1-CD2 4.26Å; I81-F182 HydrophobicContact CD1-CG 4.3Å; I81-F182 HydrophobicContact CG1-CB 4.1Å; I81-F182 HydrophobicContact CG1-CD2 4.3Å; V162-F182 HydrophobicContact CG1-CE2 4.48Å; L165-F182 HydrophobicContact CB-CZ 3.99Å; D166-F182 HydrophobicContact CB-CE2 4.35Å; L169-F182 HydrophobicContact CD1-CE1 4.41Å; L169-F182 HydrophobicContact CD1-CZ 4.06Å; G178-F182 WeakPolarHBondContact O-CD2 3.2Å; G178-F182 WeakPolarHBondContact O-CG 3.44Å; G178-F182 PolarHBondContact O-N 3.24Å; I179-F182 PolarHBondContact O-N 3.46Å; F182-T185 PolarHBondContact O-N 2.9Å; F182-N186 PolarHBondContact O-N 2.7Å; F182-N186 VanDerWaalsContact O-N 3.09Å
183I79Confident79.4Confident4 Ų432.5 Ų32.52%0.02118%0.183CC..Hα-helixtrans-61.9-48.4174-66.5168.5000110.2I81 I85 I179 L181 T185 N186 I187 M447I81-I183 HydrophobicContact CD1-CG1 3.79Å; I85-I183 HydrophobicContact CD1-CD1 4.26Å; I179-I183 HydrophobicContact CG2-CD1 3.83Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.26Å; I179-I183 PolarHBondContact O-N 3.48Å; I179-I183 VanDerWaalsContact O-N 3.12Å; L181-I183 PolarHBondContact O-N 2.98Å; I183-T185 VanDerWaalsContact C-N 3.33Å; I183-T185 PolarHBondContact O-N 2.84Å; I183-N186 PolarHBondContact O-N 3.42Å; I183-I187 HydrophobicContact CG2-CD1 3.65Å; I183-I187 WeakPolarHBondContact O-CD1 3.21Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.17Å; I183-I187 PolarHBondContact O-N 3.2Å; I183-I187 VanDerWaalsContact O-N 3.16Å; I183-M447 HydrophobicContact CG2-CE 4.16Å
184A84Confident79.3Confident6 Ų634.2 Ų34.25%0.0519%0.189CC..Hα-helixtrans-61.1-42.3179.900000111.8S180 L181 I187 C188 A448 T451S180-A184 WeakPolarHBondContact O-CB 3.34Å; S180-A184 PolarHBondContact O-N 2.9Å; L181-A184 PolarHBondContact O-N 2.82Å; A184-I187 PolarHBondContact O-N 3.12Å; A184-C188 WeakPolarHBondContact O-CB 3.31Å; A184-C188 PolarHBondContact O-N 2.79Å; A184-C188 PolarHBondContact O-SG 3.3Å; A184-A448 HydrophobicContact CB-CB 4.48Å; A184-T451 HydrophobicContact CB-CG2 4.02Å
185T86.3Confident79.7Confident27 Ų2734.6 Ų34.617%0.16619%0.192CC..Hα-helixtrans-63.3-44.8178.4-63.20000112.7L39 L43 L181 F182 I183 I187 C188 E189L39-T185 HydrophobicContact CD2-CG2 4.23Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.45Å; L43-T185 HydrophobicContact CD1-CG2 4.33Å; L43-T185 HydrophobicContact CD2-CG2 3.6Å; L43-T185 HydrophobicContact CG-CG2 4.05Å; L181-T185 PolarHBondContact O-N 2.92Å; L181-T185 PolarHBondContact O-OG1 2.88Å; L181-T185 VanDerWaalsContact O-OG1 3.07Å; F182-T185 PolarHBondContact O-N 2.9Å; I183-T185 VanDerWaalsContact C-N 3.33Å; I183-T185 PolarHBondContact O-N 2.84Å; T185-I187 VanDerWaalsContact C-N 3.32Å; T185-I187 PolarHBondContact O-N 3.14Å; T185-C188 PolarHBondContact O-N 2.88Å; T185-E189 WeakPolarHBondContact O-CB 3.29Å; T185-E189 PolarHBondContact O-N 3.04Å
186N82.6Confident80Confident7 Ų737.5 Ų37.54%0.03721%0.206CC..Hα-helixtrans-64.2-38179.2-175.8-68.9000112A70 N72 F182 I183 E189 T190A70-N186 HydrophobicContact CB-CB 3.72Å; N72-N186 PolarHBondContact OD1-ND2 2.82Å; F182-N186 PolarHBondContact O-N 2.7Å; F182-N186 VanDerWaalsContact O-N 3.09Å; I183-N186 PolarHBondContact O-N 3.42Å; N186-E189 PolarHBondContact O-N 2.91Å; N186-T190 PolarHBondContact O-N 3.47Å; N186-T190 PolarHBondContact O-OG1 2.68Å
187I80.6Confident80Confident6 Ų636.1 Ų36.13%0.03119%0.192CC..Hα-helixtrans-66.7-44.4175.8-64.6163.4000110.4I183 A184 T185 E189 T190 I191 G444 M447 A448I183-I187 HydrophobicContact CG2-CD1 3.65Å; I183-I187 WeakPolarHBondContact O-CD1 3.21Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.17Å; I183-I187 PolarHBondContact O-N 3.2Å; I183-I187 VanDerWaalsContact O-N 3.16Å; A184-I187 PolarHBondContact O-N 3.12Å; T185-I187 VanDerWaalsContact C-N 3.32Å; T185-I187 PolarHBondContact O-N 3.14Å; I187-E189 PolarHBondContact O-N 3.41Å; I187-T190 PolarHBondContact O-N 2.82Å; I187-I191 HydrophobicContact CG2-CD1 3.9Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.49Å; I187-I191 PolarHBondContact O-N 3.11Å; I187-G444 WeakPolarHBondContact CD1-O 3.21Å; I187-M447 HydrophobicContact CD1-CB 4.44Å; I187-A448 HydrophobicContact CB-CB 4.18Å; I187-A448 HydrophobicContact CD1-CB 4.42Å; I187-A448 HydrophobicContact CG2-CB 3.87Å
188C84Confident79.5Confident50 Ų5037.7 Ų37.734%0.33820%0.201SC..Hα-helixtrans-62-41.6174.7-70.80000112.3A184 T185 I191 V192A184-C188 WeakPolarHBondContact O-CB 3.31Å; A184-C188 PolarHBondContact O-N 2.79Å; A184-C188 PolarHBondContact O-SG 3.3Å; T185-C188 PolarHBondContact O-N 2.88Å; C188-I191 PolarHBondContact O-N 2.95Å; C188-V192 WeakPolarHBondContact O-CB 3.48Å; C188-V192 VanDerWaalsContact O-CG2 3.31Å; C188-V192 WeakPolarHBondContact O-CG2 3.23Å; C188-V192 PolarHBondContact O-N 3.02Å
189E83.1Confident79.2Confident41 Ų4140.2 Ų40.219%0.19222%0.217CC..Hα-helixtrans-58.5-47.3174.4-178.9-178.6-174.100110.7Q47 T185 N186 I187 I191 V192 W193Q47-E189 PolarHBondContact NE2-OE1 3.34Å; T185-E189 WeakPolarHBondContact O-CB 3.29Å; T185-E189 PolarHBondContact O-N 3.04Å; N186-E189 PolarHBondContact O-N 2.91Å; I187-E189 PolarHBondContact O-N 3.41Å; E189-I191 PolarHBondContact O-N 2.59Å; E189-V192 PolarHBondContact O-N 3.3Å; E189-W193 WeakPolarHBondContact O-CB 3.33Å; E189-W193 PolarHBondContact O-N 3.04Å
190T78.6Confident78.7Confident51 Ų5142.2 Ų42.231%0.31323%0.23SC..Hα-helixtrans-62.1-42.1177.9-59.80000112N186 I187 R194N186-T190 PolarHBondContact O-N 3.47Å; N186-T190 PolarHBondContact O-OG1 2.68Å; I187-T190 PolarHBondContact O-N 2.82Å; T190-R194 HydrophobicContact CG2-CG 4.4Å; T190-R194 WeakPolarHBondContact O-CB 3.48Å; T190-R194 WeakPolarHBondContact O-CG 2.99Å; T190-R194 PolarHBondContact O-N 3.44Å
191I80.1Confident77.9Confident44 Ų4444.4 Ų44.423%0.22624%0.239CC..Hα-helixtrans-64.3-46.8177.8-67.6165.2000110.6I187 C188 E189 R194 A195 I445I187-I191 HydrophobicContact CG2-CD1 3.9Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.49Å; I187-I191 PolarHBondContact O-N 3.11Å; C188-I191 PolarHBondContact O-N 2.95Å; E189-I191 PolarHBondContact O-N 2.59Å; I191-R194 PolarHBondContact O-N 3.04Å; I191-A195 WeakPolarHBondContact O-CB 3.5Å; I191-A195 PolarHBondContact O-N 2.87Å; I191-I445 HydrophobicContact CD1-CG1 4.15Å
192V83.6Confident76.8Confident83 Ų8348.9 Ų48.950%0.50326%0.263SS..Hα-helixtrans-65.3-42.8178.7172.10000110.8C188 E189 A195 I196C188-V192 WeakPolarHBondContact O-CB 3.48Å; C188-V192 VanDerWaalsContact O-CG2 3.31Å; C188-V192 WeakPolarHBondContact O-CG2 3.23Å; C188-V192 PolarHBondContact O-N 3.02Å; E189-V192 PolarHBondContact O-N 3.3Å; V192-A195 PolarHBondContact O-N 2.92Å; V192-I196 HydrophobicContact CG1-CD1 4.24Å; V192-I196 PolarHBondContact O-N 3.15Å
193W81.7Confident75.6Confident129 Ų12952.1 Ų52.149%0.48928%0.283SS..Hα-helixtrans-59.3-51177-172.2-96.4000110.7E189 A195 I196 S197 T199E189-W193 WeakPolarHBondContact O-CB 3.33Å; E189-W193 PolarHBondContact O-N 3.04Å; W193-A195 PolarHBondContact O-N 3.29Å; W193-I196 PolarHBondContact O-N 3.49Å; W193-S197 VanDerWaalsContact O-CA 3.23Å; W193-S197 WeakPolarHBondContact O-CA 3.45Å; W193-S197 WeakPolarHBondContact O-CB 3.49Å; W193-S197 PolarHBondContact O-N 2.94Å; W193-S197 PolarHBondContact O-OG 3.26Å; W193-T199 HydrophobicContact CZ2-CG2 4.43Å
194R73.8Confident74.4Confident80 Ų8055.3 Ų55.330%0.30232%0.317SS..Hα-helixtrans-66.1-25178.6-67.2-68.6-174.9-177.46.1113.6T190 I191 E210 I439T190-R194 HydrophobicContact CG2-CG 4.4Å; T190-R194 WeakPolarHBondContact O-CB 3.48Å; T190-R194 WeakPolarHBondContact O-CG 2.99Å; T190-R194 PolarHBondContact O-N 3.44Å; I191-R194 PolarHBondContact O-N 3.04Å; R194-E210 IonicContact CZ-OE1 2.66Å; R194-E210 IonicContact NH1-OE1 2.69Å; R194-E210 PolarHBondContact NH1-OE1 3.36Å; R194-I439 HydrophobicContact CB-CG2 3.35Å; R194-I439 HydrophobicContact CG-CG2 3.72Å
195A78.2Confident73Confident14 Ų1465.4 Ų65.412%0.11635%0.354CS..Hα-helixtrans-79.5-39.2176.600000113.1I191 V192 W193 A212 I213 I245I191-A195 WeakPolarHBondContact O-CB 3.5Å; I191-A195 PolarHBondContact O-N 2.87Å; V192-A195 PolarHBondContact O-N 2.92Å; W193-A195 PolarHBondContact O-N 3.29Å; A195-A212 PolarHBondContact O-N 3.47Å; A195-I213 HydrophobicContact CB-CD1 4.27Å; A195-I213 WeakPolarHBondContact O-CB 3.18Å; A195-I213 PolarHBondContact O-N 3.46Å; A195-I213 VanDerWaalsContact O-N 3.09Å; A195-I245 HydrophobicContact CB-CD1 3.84Å
196I78.5Confident71.7Confident90 Ų9065.8 Ų65.846%0.46236%0.363SS..Hα-helixtrans-122.114.6-168-45.8176.7000111.8V192 W193 P198 I213 I214V192-I196 HydrophobicContact CG1-CD1 4.24Å; V192-I196 PolarHBondContact O-N 3.15Å; W193-I196 PolarHBondContact O-N 3.49Å; I196-P198 VanDerWaalsContact O-CD 3.25Å; I196-P198 WeakPolarHBondContact O-CD 3.1Å; I196-P198 VanDerWaalsContact O-N 3.14Å; I196-I213 HydrophobicContact CG1-CD1 4.36Å; I196-I214 HydrophobicContact CG2-CD1 4.02Å; I196-I214 HydrophobicContact CG2-CG1 4.39Å; I196-I214 WeakPolarHBondContact O-CD1 3.43Å
197S70.5Confident70.6Confident0 Ų069.3 Ų69.30%039%0.385CS..  trans-61.5120.3-177.146.90000111.1W193 T199 E210 G211W193-S197 VanDerWaalsContact O-CA 3.23Å; W193-S197 WeakPolarHBondContact O-CA 3.45Å; W193-S197 WeakPolarHBondContact O-CB 3.49Å; W193-S197 PolarHBondContact O-N 2.94Å; W193-S197 PolarHBondContact O-OG 3.26Å; S197-T199 PolarHBondContact O-N 3.44Å; S197-E210 VanDerWaalsContact OG-C 3.26Å; S197-E210 WeakPolarHBondContact OG-CB 3.17Å; S197-G211 VanDerWaalsContact O-CA 3.29Å; S197-G211 WeakPolarHBondContact O-CA 3.39Å; S197-G211 PolarHBondContact O-N 3.32Å; S197-G211 WeakPolarHBondContact OG-CA 3.24Å; S197-G211 PolarHBondContact OG-N 2.86Å
198P65.9Low69.7Low81 Ų8170.5 Ų70.553%0.52639%0.39SS..  trans-82.40.4-179.933.9-35.1000112.8I196 I214I196-P198 VanDerWaalsContact O-CD 3.25Å; I196-P198 WeakPolarHBondContact O-CD 3.1Å; I196-P198 VanDerWaalsContact O-N 3.14Å; P198-I214 HydrophobicContact CB-CD1 4.15Å
199T70.2Confident68.5Low53 Ų5370.1 Ų70.133%0.32538%0.383SS..  trans-64137.4177.344.50000110.4W193 S197 F209 E210W193-T199 HydrophobicContact CZ2-CG2 4.43Å; S197-T199 PolarHBondContact O-N 3.44Å; T199-F209 WeakPolarHBondContact O-CA 3.22Å; T199-E210 PolarHBondContact O-N 3.47Å; T199-E210 WeakPolarHBondContact OG1-CB 3.48Å; T199-E210 PolarHBondContact OG1-OE2 2.9Å
200T66.3Low67.6Low73 Ų7369.4 Ų69.445%0.44838%0.38SS..EExtended strand (participates in β ladder)trans-106.2131.9172.7520000109.2E208 F209T200-E208 CarbonylContact C-O 3.58Å; T200-E208 WeakPolarHBondContact CA-O 3.14Å; T200-F209 HydrophobicContact CG2-CD1 3.41Å; T200-F209 VanDerWaalsContact CG2-CD1 3.41Å; T200-F209 HydrophobicContact CG2-CD2 4.21Å; T200-F209 HydrophobicContact CG2-CE1 3.33Å; T200-F209 HydrophobicContact CG2-CE2 4.11Å; T200-F209 HydrophobicContact CG2-CG 3.87Å; T200-F209 HydrophobicContact CG2-CZ 3.7Å
201I62.9Low66.8Low75 Ų7567 Ų6739%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-112.2125.7171.6-61.7171.3000106.2T203 E208 E210 L239I201-T203 PolarHBondContact O-N 2.93Å; I201-E208 PolarHBondContact N-O 2.88Å; I201-E208 PolarHBondContact O-N 3.28Å; I201-E208 VanDerWaalsContact O-N 3.08Å; I201-E210 HydrophobicContact CD1-CB 4.41Å; I201-E210 HydrophobicContact CD1-CG 4.29Å; I201-L239 HydrophobicContact CD1-CD2 4.09Å
202N60.8Low66.1Low113 Ų11365 Ų6560%0.60436%0.355SS*.EExtended strand (participates in β ladder)trans-91.190.9179.1-169.2-3.3000109.1G204 G206N202-G204 PolarHBondContact O-N 3.18Å; N202-G204 PolarHBondContact OD1-N 3.43Å; N202-G206 PolarHBondContact OD1-O 3.08Å
203T56.8Low65.4Low67 Ų6764 Ų6441%0.41135%0.346SS..  trans-78.128-179.2-28.70000112.7I201 R205 E208I201-T203 PolarHBondContact O-N 2.93Å; T203-R205 PolarHBondContact O-N 3.47Å; T203-E208 PolarHBondContact OG1-OE2 2.91Å
204G53.9Low64.6Low72 Ų7260.1 Ų60.174%0.74234%0.335SS*.SBendtrans70.8-5.6-178.800000115.6N202N202-G204 PolarHBondContact O-N 3.18Å; N202-G204 PolarHBondContact OD1-N 3.43Å
205R55Low64.1Low218 Ų21856.6 Ų56.682%0.82332%0.323SS*.SBendtrans-108.46.5175.2-70.9-176171.2160.50.9113.8T203T203-R205 PolarHBondContact O-N 3.47Å
206G58.1Low63.4Low35 Ų3557.5 Ų57.536%0.36133%0.325SS..SBendtrans128.9169.6-176.400000111.9N202 E208N202-G206 PolarHBondContact OD1-O 3.08Å; G206-E208 PolarHBondContact O-N 3.37Å
207T60.5Low63Low80 Ų8059.8 Ų59.849%0.49133%0.332SS..EExtended strand (participates in β ladder)trans-70.7108.3173.151.40000109
208E60.6Low62.8Low31 Ų3162.8 Ų62.815%0.14535%0.346CS..EExtended strand (participates in β ladder)trans-106.7129.7175-54.317911800109.2T200 I201 T203 G206 R236T200-E208 CarbonylContact C-O 3.58Å; T200-E208 WeakPolarHBondContact CA-O 3.14Å; I201-E208 PolarHBondContact N-O 2.88Å; I201-E208 PolarHBondContact O-N 3.28Å; I201-E208 VanDerWaalsContact O-N 3.08Å; T203-E208 PolarHBondContact OG1-OE2 2.91Å; G206-E208 PolarHBondContact O-N 3.37Å; E208-R236 VanDerWaalsContact CD-NE 3.34Å; E208-R236 IonicContact OE1-CZ 3.35Å; E208-R236 IonicContact OE1-NE 2.97Å; E208-R236 PolarHBondContact OE1-NE 2.97Å; E208-R236 IonicContact OE1-NH2 3.66Å; E208-R236 PolarHBondContact OE1-NH2 2.85Å; E208-R236 IonicContact OE2-CZ 3.43Å; E208-R236 IonicContact OE2-NE 2.63Å; E208-R236 PolarHBondContact OE2-NE 3.33Å; E208-R236 IonicContact OE2-NH2 3.41Å; E208-R236 PolarHBondContact OE2-NH2 3.42Å
209F60.1Low62.7Low43 Ų4359.9 Ų59.919%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-68138.7172.8-69.7-86.9000109.9T199 T200 G211 I214 H218 R236T199-F209 WeakPolarHBondContact O-CA 3.22Å; T200-F209 HydrophobicContact CG2-CD1 3.41Å; T200-F209 VanDerWaalsContact CG2-CD1 3.41Å; T200-F209 HydrophobicContact CG2-CD2 4.21Å; T200-F209 HydrophobicContact CG2-CE1 3.33Å; T200-F209 HydrophobicContact CG2-CE2 4.11Å; T200-F209 HydrophobicContact CG2-CG 3.87Å; T200-F209 HydrophobicContact CG2-CZ 3.7Å; F209-G211 VanDerWaalsContact C-N 3.33Å; F209-I214 HydrophobicContact CB-CG2 4.16Å; F209-I214 HydrophobicContact CD1-CG2 3.71Å; F209-I214 HydrophobicContact CD2-CG2 4.33Å; F209-I214 HydrophobicContact CE1-CG2 4.17Å; F209-I214 HydrophobicContact CG-CG2 3.8Å; F209-H218 HydrophobicContact CD2-CB 3.69Å; F209-H218 AromaticContact CD2-CD2 3.61Å; F209-H218 AromaticContact CD2-CG 3.6Å; F209-H218 HydrophobicContact CE2-CB 3.8Å; F209-H218 AromaticContact CE2-CD2 3.46Å; F209-H218 VanDerWaalsContact CE2-CD2 3.46Å; F209-H218 WeakPolarHBondContact CE2-CD2 3.48Å; F209-H218 AromaticContact CE2-CE1 3.83Å; F209-H218 AromaticContact CE2-CG 3.32Å; F209-H218 AromaticContact CE2-ND1 3.57Å; F209-H218 AromaticContact CE2-NE2 3.77Å; F209-R236 PolarHBondContact O-NH1 3.34Å
210E63.7Low62.4Low25 Ų2560.8 Ų60.812%0.11733%0.328CS..SBendtrans-71.4-32.1175.4-171.6-176.716800111R194 S197 T199 I201 A212 L239R194-E210 IonicContact CZ-OE1 2.66Å; R194-E210 IonicContact NH1-OE1 2.69Å; R194-E210 PolarHBondContact NH1-OE1 3.36Å; S197-E210 VanDerWaalsContact OG-C 3.26Å; S197-E210 WeakPolarHBondContact OG-CB 3.17Å; T199-E210 PolarHBondContact O-N 3.47Å; T199-E210 WeakPolarHBondContact OG1-CB 3.48Å; T199-E210 PolarHBondContact OG1-OE2 2.9Å; I201-E210 HydrophobicContact CD1-CB 4.41Å; I201-E210 HydrophobicContact CD1-CG 4.29Å; E210-A212 PolarHBondContact O-N 3.35Å; E210-L239 HydrophobicContact CG-CD2 4.09Å
211G61.2Low62.5Low0 Ų061.4 Ų61.40%034%0.341CS..SBendtrans-72.2122.5-178.600000111.4S197 F209 I213 I214 S215S197-G211 VanDerWaalsContact O-CA 3.29Å; S197-G211 WeakPolarHBondContact O-CA 3.39Å; S197-G211 PolarHBondContact O-N 3.32Å; S197-G211 WeakPolarHBondContact OG-CA 3.24Å; S197-G211 PolarHBondContact OG-N 2.86Å; F209-G211 VanDerWaalsContact C-N 3.33Å; G211-I213 VanDerWaalsContact C-N 3.27Å; G211-I213 PolarHBondContact O-N 3.33Å; G211-I214 PolarHBondContact O-N 2.89Å; G211-S215 WeakPolarHBondContact O-CB 3.39Å; G211-S215 PolarHBondContact O-N 3.46Å; G211-S215 PolarHBondContact O-OG 3.14Å
212A65.2Low62.8Low2 Ų262.4 Ų62.42%0.01735%0.351CS..Hα-helixtrans-59.6-34.7-178.200000113.2A195 E210 S215 L216 P240 I245A195-A212 PolarHBondContact O-N 3.47Å; E210-A212 PolarHBondContact O-N 3.35Å; A212-S215 WeakPolarHBondContact CA-OG 3.45Å; A212-S215 PolarHBondContact O-OG 2.9Å; A212-S215 VanDerWaalsContact O-OG 3.07Å; A212-L216 WeakPolarHBondContact O-CB 2.97Å; A212-L216 PolarHBondContact O-N 2.92Å; A212-P240 HydrophobicContact CB-CB 4.45Å; A212-P240 WeakPolarHBondContact CB-O 3.45Å; A212-I245 HydrophobicContact CB-CD1 3.52Å; A212-I245 HydrophobicContact CB-CG1 4.17Å
213I68.9Low62.6Low63 Ų6361.7 Ų61.732%0.32334%0.339SS..Hα-helixtrans-79-45.6178.9-59.7174.5000111A195 I196 G211 L216 F217 I245A195-I213 HydrophobicContact CB-CD1 4.27Å; A195-I213 WeakPolarHBondContact O-CB 3.18Å; A195-I213 PolarHBondContact O-N 3.46Å; A195-I213 VanDerWaalsContact O-N 3.09Å; I196-I213 HydrophobicContact CG1-CD1 4.36Å; G211-I213 VanDerWaalsContact C-N 3.27Å; G211-I213 PolarHBondContact O-N 3.33Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 PolarHBondContact O-N 3.48Å; I213-F217 HydrophobicContact CG2-CD2 3.93Å; I213-F217 HydrophobicContact CG2-CE2 3.89Å; I213-F217 WeakPolarHBondContact O-CD2 3.31Å; I213-F217 PolarHBondContact O-N 2.86Å; I213-F217 VanDerWaalsContact O-N 3.07Å; I213-I245 HydrophobicContact CD1-CD1 4.25Å; I213-I245 HydrophobicContact CG1-CD1 3.85Å
214I66.1Low62.5Low47 Ų4764.9 Ų64.924%0.24136%0.359CS..Hα-helixtrans-65.9-41.5-179.4-61.6179.9000110.4I196 P198 F209 G211 L216 F217 H218I196-I214 HydrophobicContact CG2-CD1 4.02Å; I196-I214 HydrophobicContact CG2-CG1 4.39Å; I196-I214 WeakPolarHBondContact O-CD1 3.43Å; P198-I214 HydrophobicContact CB-CD1 4.15Å; F209-I214 HydrophobicContact CB-CG2 4.16Å; F209-I214 HydrophobicContact CD1-CG2 3.71Å; F209-I214 HydrophobicContact CD2-CG2 4.33Å; F209-I214 HydrophobicContact CE1-CG2 4.17Å; F209-I214 HydrophobicContact CG-CG2 3.8Å; G211-I214 PolarHBondContact O-N 2.89Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 2.91Å; I214-F217 PolarHBondContact O-N 3.3Å; I214-H218 VanDerWaalsContact O-CB 3.32Å; I214-H218 WeakPolarHBondContact O-CB 3.47Å; I214-H218 PolarHBondContact O-N 3.04Å
215S62.1Low62.5Low7 Ų766.4 Ų66.45%0.04935%0.35CS..Hα-helixtrans-61.9-39.2174.160.60000112.1G211 A212 H218 L219G211-S215 WeakPolarHBondContact O-CB 3.39Å; G211-S215 PolarHBondContact O-N 3.46Å; G211-S215 PolarHBondContact O-OG 3.14Å; A212-S215 WeakPolarHBondContact CA-OG 3.45Å; A212-S215 PolarHBondContact O-OG 2.9Å; A212-S215 VanDerWaalsContact O-OG 3.07Å; S215-H218 PolarHBondContact O-N 2.97Å; S215-L219 WeakPolarHBondContact O-CB 3.46Å; S215-L219 WeakPolarHBondContact O-CD1 3.33Å; S215-L219 WeakPolarHBondContact O-CG 3.34Å; S215-L219 PolarHBondContact O-N 3.18Å
216L64.7Low62.8Low33 Ų3362.9 Ų62.917%0.17334%0.341CS..Hα-helixtrans-60.3-49.4174.2-178.4149000111.1A212 I213 I214 L220 L242A212-L216 WeakPolarHBondContact O-CB 2.97Å; A212-L216 PolarHBondContact O-N 2.92Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 PolarHBondContact O-N 3.48Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 2.91Å; L216-L220 HydrophobicContact CD2-CD2 4.48Å; L216-L220 WeakPolarHBondContact O-CB 3.42Å; L216-L220 PolarHBondContact O-N 3.41Å; L216-L242 HydrophobicContact CD1-CD1 3.66Å; L216-L242 HydrophobicContact CD1-CD2 3.55Å; L216-L242 HydrophobicContact CD1-CG 4.14Å
217F69.3Low62.9Low137 Ų13767.2 Ų67.260%0.60136%0.36SS*.Hα-helixtrans-65-40.3178.8-82.7-72.2000112.3I213 I214 A221I213-F217 HydrophobicContact CG2-CD2 3.93Å; I213-F217 HydrophobicContact CG2-CE2 3.89Å; I213-F217 WeakPolarHBondContact O-CD2 3.31Å; I213-F217 PolarHBondContact O-N 2.86Å; I213-F217 VanDerWaalsContact O-N 3.07Å; I214-F217 PolarHBondContact O-N 3.3Å; F217-A221 WeakPolarHBondContact O-CB 3.25Å; F217-A221 PolarHBondContact O-N 3.48Å
218H66.5Low62.8Low63 Ų6372 Ų7229%0.29237%0.369SS..Hα-helixtrans-67.2-47.4177.9-174.768000112.2F209 I214 S215 L220 A221 T222F209-H218 HydrophobicContact CD2-CB 3.69Å; F209-H218 AromaticContact CD2-CD2 3.61Å; F209-H218 AromaticContact CD2-CG 3.6Å; F209-H218 HydrophobicContact CE2-CB 3.8Å; F209-H218 AromaticContact CE2-CD2 3.46Å; F209-H218 VanDerWaalsContact CE2-CD2 3.46Å; F209-H218 WeakPolarHBondContact CE2-CD2 3.48Å; F209-H218 AromaticContact CE2-CE1 3.83Å; F209-H218 AromaticContact CE2-CG 3.32Å; F209-H218 AromaticContact CE2-ND1 3.57Å; F209-H218 AromaticContact CE2-NE2 3.77Å; I214-H218 VanDerWaalsContact O-CB 3.32Å; I214-H218 WeakPolarHBondContact O-CB 3.47Å; I214-H218 PolarHBondContact O-N 3.04Å; S215-H218 PolarHBondContact O-N 2.97Å; H218-L220 VanDerWaalsContact C-N 3.3Å; H218-L220 PolarHBondContact O-N 3.19Å; H218-A221 PolarHBondContact O-N 3.35Å; H218-T222 PolarHBondContact CE1-OG1 3.39Å; H218-T222 VanDerWaalsContact O-CB 3.31Å; H218-T222 WeakPolarHBondContact O-CB 3.23Å; H218-T222 PolarHBondContact O-N 3.4Å; H218-T222 PolarHBondContact O-OG1 3.35Å; H218-T222 VanDerWaalsContact O-OG1 3.14Å
219L63.2Low62.7Low21 Ų2170.6 Ų70.611%0.1136%0.363CS..Hα-helixtrans-64.5-36.3177.9-73.7164.9000111.7S215 R223 A233S215-L219 WeakPolarHBondContact O-CB 3.46Å; S215-L219 WeakPolarHBondContact O-CD1 3.33Å; S215-L219 WeakPolarHBondContact O-CG 3.34Å; S215-L219 PolarHBondContact O-N 3.18Å; L219-R223 WeakPolarHBondContact O-CB 3.22Å; L219-R223 PolarHBondContact O-N 3.19Å; L219-A233 HydrophobicContact CD1-CB 4.01Å
220L65.5Low62.8Low71 Ų7172.5 Ų72.537%0.37238%0.375SS..Hα-helixtrans-74.8-29.9178-168.864.2000112.8L216 H218 K226L216-L220 HydrophobicContact CD2-CD2 4.48Å; L216-L220 WeakPolarHBondContact O-CB 3.42Å; L216-L220 PolarHBondContact O-N 3.41Å; H218-L220 VanDerWaalsContact C-N 3.3Å; H218-L220 PolarHBondContact O-N 3.19Å; L220-K226 HydrophobicContact CD1-CB 4.47Å; L220-K226 HydrophobicContact CD1-CG 4.33Å
221A68.6Low62.6Low87 Ų8780.3 Ų80.372%0.71940%0.403SS*.Hα-helixtrans-84.3-36.5178.300000113.2F217 H218F217-A221 WeakPolarHBondContact O-CB 3.25Å; F217-A221 PolarHBondContact O-N 3.48Å; H218-A221 PolarHBondContact O-N 3.35Å
222T67.2Low62.6Low95 Ų9583.1 Ų83.158%0.58342%0.416SS*.Hα-helixtrans-92.4-23.6-171.6-55.50000113.7H218H218-T222 PolarHBondContact CE1-OG1 3.39Å; H218-T222 VanDerWaalsContact O-CB 3.31Å; H218-T222 WeakPolarHBondContact O-CB 3.23Å; H218-T222 PolarHBondContact O-N 3.4Å; H218-T222 PolarHBondContact O-OG1 3.35Å; H218-T222 VanDerWaalsContact O-OG1 3.14Å
223R57.7Low62.3Low98 Ų9883.6 Ų83.637%0.3742%0.42SS..  trans-103.7133-179.7-69.1-170.1177.2-173.28.8112.8L219 A229 E232L219-R223 WeakPolarHBondContact O-CB 3.22Å; L219-R223 PolarHBondContact O-N 3.19Å; R223-A229 HydrophobicContact CB-CB 4.18Å; R223-E232 IonicContact CZ-OE2 3.62Å; R223-E232 IonicContact NH1-OE1 3.84Å; R223-E232 IonicContact NH1-OE2 2.66Å; R223-E232 PolarHBondContact NH1-OE2 3.4Å; R223-E232 IonicContact NH2-OE1 3.77Å; R223-E232 IonicContact NH2-OE2 3.84Å
224T54.7Low61.9Low134 Ų13483.6 Ų83.682%0.82242%0.418SS*.SBendtrans-68-32.3177.747.90000113K226T224-K226 PolarHBondContact O-N 3.49Å
225D54.3Low61.4Low105 Ų10590.1 Ų90.156%0.56144%0.44SS*.  trans-8782.3178.7-71.6-30.8000112.2V227 R228 A229D225-V227 PolarHBondContact O-N 3.49Å; D225-V227 VanDerWaalsContact O-N 3.16Å; D225-R228 HydrophobicContact CB-CB 4.22Å; D225-R228 PolarHBondContact O-N 3.4Å; D225-A229 WeakPolarHBondContact O-CB 3.35Å; D225-A229 PolarHBondContact O-N 2.96Å
226K60.1Low61.1Low143 Ų14391 Ų9162%0.62244%0.443SS*.Hα-helixtrans-52.7-38.2-178.1-64.5-179.4-178.3179.20113.6L220 T224 L230L220-K226 HydrophobicContact CD1-CB 4.47Å; L220-K226 HydrophobicContact CD1-CG 4.33Å; T224-K226 PolarHBondContact O-N 3.49Å; K226-L230 VanDerWaalsContact O-CB 3.28Å; K226-L230 WeakPolarHBondContact O-CB 3.43Å; K226-L230 PolarHBondContact O-N 3.07Å
227V60.6Low60.5Low126 Ų12698.3 Ų98.376%0.76448%0.476SS*.Hα-helixtrans-74.2-37.9-175.1-1750000112.2D225 R231D225-V227 PolarHBondContact O-N 3.49Å; D225-V227 VanDerWaalsContact O-N 3.16Å; V227-R231 PolarHBondContact O-N 2.96Å
228R59.5Low59.8Low181 Ų18198.4 Ų98.468%0.68348%0.483SS*.Hα-helixtrans-74.8-39.9177.9-162.1173.3-174.1172.31.2110.8D225 L230 R231 E232D225-R228 HydrophobicContact CB-CB 4.22Å; D225-R228 PolarHBondContact O-N 3.4Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-R231 PolarHBondContact O-N 3.49Å; R228-E232 VanDerWaalsContact O-CB 3.3Å; R228-E232 WeakPolarHBondContact O-CB 3.34Å; R228-E232 PolarHBondContact O-N 3.06Å
229A58.1Low59.4Low2 Ų296.7 Ų96.72%0.01748%0.476CS..Hα-helixtrans-61.1-41172.100000111.9R223 D225 A233R223-A229 HydrophobicContact CB-CB 4.18Å; D225-A229 WeakPolarHBondContact O-CB 3.35Å; D225-A229 PolarHBondContact O-N 2.96Å; A229-A233 WeakPolarHBondContact O-CB 3.45Å; A229-A233 PolarHBondContact O-N 3.43Å
230L60.7Low59Low83 Ų8396.7 Ų96.744%0.43548%0.477SS..Hα-helixtrans-63.3-49.4174.8-148.494.6000110.6K226 R228 E232 A233 F234K226-L230 VanDerWaalsContact O-CB 3.28Å; K226-L230 WeakPolarHBondContact O-CB 3.43Å; K226-L230 PolarHBondContact O-N 3.07Å; R228-L230 VanDerWaalsContact C-N 3.33Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 3.24Å; L230-A233 PolarHBondContact O-N 3.15Å; L230-A233 VanDerWaalsContact O-N 3.16Å; L230-F234 HydrophobicContact CD1-CE2 4.3Å; L230-F234 HydrophobicContact CD2-CD2 4.02Å; L230-F234 HydrophobicContact CD2-CE2 3.74Å; L230-F234 HydrophobicContact CG-CD2 3.77Å; L230-F234 HydrophobicContact CG-CE2 3.68Å; L230-F234 WeakPolarHBondContact O-CB 3.29Å; L230-F234 VanDerWaalsContact O-CD2 3.26Å; L230-F234 WeakPolarHBondContact O-CD2 3.35Å; L230-F234 PolarHBondContact O-N 2.8Å
231R60.7Low58.9Low189 Ų18994.2 Ų94.271%0.71346%0.464SS*.Hα-helixtrans-62.5-37.8-179-163.5177.7-173.5-179.32.1112.5V227 R228 F234 Y235V227-R231 PolarHBondContact O-N 2.96Å; R228-R231 PolarHBondContact O-N 3.49Å; R231-F234 PolarHBondContact O-N 3.38Å; R231-Y235 HydrophobicContact CG-CD2 4.17Å; R231-Y235 WeakPolarHBondContact O-CB 3.36Å; R231-Y235 PolarHBondContact O-N 2.86Å
232E61.7Low58.8Low59 Ų5991.8 Ų91.828%0.27644%0.439SS..Hα-helixtrans-72.6-32.9176.5-164.3169.6178.500112.2R223 R228 L230 R236R223-E232 IonicContact CZ-OE2 3.62Å; R223-E232 IonicContact NH1-OE1 3.84Å; R223-E232 IonicContact NH1-OE2 2.66Å; R223-E232 PolarHBondContact NH1-OE2 3.4Å; R223-E232 IonicContact NH2-OE1 3.77Å; R223-E232 IonicContact NH2-OE2 3.84Å; R228-E232 VanDerWaalsContact O-CB 3.3Å; R228-E232 WeakPolarHBondContact O-CB 3.34Å; R228-E232 PolarHBondContact O-N 3.06Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 3.24Å; E232-R236 WeakPolarHBondContact O-CB 3.46Å
233A58.6Low58.9Low11 Ų1191.8 Ų91.89%0.09143%0.433CS..Hα-helixtrans-73.9-27172.600000113.6L219 A229 L230L219-A233 HydrophobicContact CD1-CB 4.01Å; A229-A233 WeakPolarHBondContact O-CB 3.45Å; A229-A233 PolarHBondContact O-N 3.43Å; L230-A233 PolarHBondContact O-N 3.15Å; L230-A233 VanDerWaalsContact O-N 3.16Å
234F59.3Low59.7Low64 Ų6489 Ų8928%0.28143%0.426SS..Hα-helixtrans-86-31.1178.2-90.7-83.9000113.7L230 R231 L242L230-F234 HydrophobicContact CD1-CE2 4.3Å; L230-F234 HydrophobicContact CD2-CD2 4.02Å; L230-F234 HydrophobicContact CD2-CE2 3.74Å; L230-F234 HydrophobicContact CG-CD2 3.77Å; L230-F234 HydrophobicContact CG-CE2 3.68Å; L230-F234 WeakPolarHBondContact O-CB 3.29Å; L230-F234 VanDerWaalsContact O-CD2 3.26Å; L230-F234 WeakPolarHBondContact O-CD2 3.35Å; L230-F234 PolarHBondContact O-N 2.8Å; R231-F234 PolarHBondContact O-N 3.38Å; F234-L242 HydrophobicContact CD1-CB 4.39Å; F234-L242 HydrophobicContact CD1-CD2 4.33Å; F234-L242 HydrophobicContact CE1-CB 4.39Å; F234-L242 HydrophobicContact CE1-CD2 3.59Å; F234-L242 HydrophobicContact CE1-CG 4.48Å; F234-L242 HydrophobicContact CE2-CD2 3.95Å; F234-L242 HydrophobicContact CZ-CD2 3.37Å
235Y56.6Low60.8Low183 Ų18383.9 Ų83.972%0.71839%0.393SS*.  trans-121.736.8-170.6-71.9-85.2000114.2R231 Q237R231-Y235 HydrophobicContact CG-CD2 4.17Å; R231-Y235 WeakPolarHBondContact O-CB 3.36Å; R231-Y235 PolarHBondContact O-N 2.86Å; Y235-Q237 PolarHBondContact O-N 2.95Å
236R55.8Low62Low26 Ų2683.5 Ų83.510%0.09839%0.39CS..  trans-82103.2-179.9-152.9156158.4-126.7-20.8110.3E208 F209 E232 N238 N241E208-R236 VanDerWaalsContact CD-NE 3.34Å; E208-R236 IonicContact OE1-CZ 3.35Å; E208-R236 IonicContact OE1-NE 2.97Å; E208-R236 PolarHBondContact OE1-NE 2.97Å; E208-R236 IonicContact OE1-NH2 3.66Å; E208-R236 PolarHBondContact OE1-NH2 2.85Å; E208-R236 IonicContact OE2-CZ 3.43Å; E208-R236 IonicContact OE2-NE 2.63Å; E208-R236 PolarHBondContact OE2-NE 3.33Å; E208-R236 IonicContact OE2-NH2 3.41Å; E208-R236 PolarHBondContact OE2-NH2 3.42Å; F209-R236 PolarHBondContact O-NH1 3.34Å; E232-R236 WeakPolarHBondContact O-CB 3.46Å; R236-N238 PolarHBondContact O-N 3.26Å; R236-N241 VanDerWaalsContact CA-OD1 3.22Å; R236-N241 WeakPolarHBondContact CA-OD1 3.39Å; R236-N241 WeakPolarHBondContact CB-OD1 3.45Å; R236-N241 PolarHBondContact N-OD1 2.96Å; R236-N241 PolarHBondContact O-ND2 3.24Å; R236-N241 PolarHBondContact O-OD1 3.06Å
237Q51.8Low62.9Low187 Ų18776.9 Ų76.987%0.87436%0.362SS*.THydrogen-bonded Turntrans-65.3-22.9-172.2-71.3179.9-22.400114.8Y235Y235-Q237 PolarHBondContact O-N 2.95Å
238N54.8Low64Low138 Ų13871.6 Ų71.674%0.73833%0.33SS*.THydrogen-bonded Turntrans-100.5-13.7-169.5-64.6-6.8000114.5R236R236-N238 PolarHBondContact O-N 3.26Å
239L57.3Low65.2Low27 Ų2768.1 Ų68.114%0.14133%0.325CS..SBendtrans-138.1155.8-171.7-79.9145000110.8I201 E210 N241I201-L239 HydrophobicContact CD1-CD2 4.09Å; E210-L239 HydrophobicContact CG-CD2 4.09Å; L239-N241 PolarHBondContact O-N 2.93Å
240P56.1Low66.5Low22 Ų2272.3 Ų72.314%0.14335%0.346CS..  trans-50.1115.5-174.9-2734.1000112.4A212 I439A212-P240 HydrophobicContact CB-CB 4.45Å; A212-P240 WeakPolarHBondContact CB-O 3.45Å; P240-I439 HydrophobicContact CB-CD1 4.01Å
241N63.7Low67.6Low18 Ų1868.6 Ų68.610%0.09633%0.327CS..  trans-84154.6-179.8-72.7-46.7000111.9R236 L239 M243 N244 I245R236-N241 VanDerWaalsContact CA-OD1 3.22Å; R236-N241 WeakPolarHBondContact CA-OD1 3.39Å; R236-N241 WeakPolarHBondContact CB-OD1 3.45Å; R236-N241 PolarHBondContact N-OD1 2.96Å; R236-N241 PolarHBondContact O-ND2 3.24Å; R236-N241 PolarHBondContact O-OD1 3.06Å; L239-N241 PolarHBondContact O-N 2.93Å; N241-M243 HydrophobicContact CB-CB 4.1Å; N241-M243 PolarHBondContact O-N 3.41Å; N241-N244 HydrophobicContact CB-CB 4.48Å; N241-N244 WeakPolarHBondContact O-CB 3.38Å; N241-N244 PolarHBondContact O-N 3.36Å; N241-I245 PolarHBondContact O-N 2.9Å
242L66.3Low68.7Low37 Ų3763.8 Ų63.819%0.19431%0.311CS..Hα-helixtrans-58-32.5164.9-158.382.5000111.3L216 F234 N244 I245 L246L216-L242 HydrophobicContact CD1-CD1 3.66Å; L216-L242 HydrophobicContact CD1-CD2 3.55Å; L216-L242 HydrophobicContact CD1-CG 4.14Å; F234-L242 HydrophobicContact CD1-CB 4.39Å; F234-L242 HydrophobicContact CD1-CD2 4.33Å; F234-L242 HydrophobicContact CE1-CB 4.39Å; F234-L242 HydrophobicContact CE1-CD2 3.59Å; F234-L242 HydrophobicContact CE1-CG 4.48Å; F234-L242 HydrophobicContact CE2-CD2 3.95Å; F234-L242 HydrophobicContact CZ-CD2 3.37Å; L242-N244 VanDerWaalsContact C-N 3.27Å; L242-N244 PolarHBondContact O-N 3.44Å; L242-I245 PolarHBondContact O-N 2.99Å; L242-L246 WeakPolarHBondContact O-CB 3.35Å; L242-L246 PolarHBondContact O-N 3.32Å
243M69.7Low69.9Low95 Ų9563.7 Ų63.747%0.46832%0.32SS..Hα-helixtrans-59.3-39.5172.5-172.561.3177.500111.8N241 L246 A247N241-M243 HydrophobicContact CB-CB 4.1Å; N241-M243 PolarHBondContact O-N 3.41Å; M243-L246 PolarHBondContact O-N 2.87Å; M243-A247 VanDerWaalsContact O-CB 3.27Å; M243-A247 WeakPolarHBondContact O-CB 3.27Å; M243-A247 PolarHBondContact O-N 3.48Å
244N74.2Confident71.2Confident39 Ų3965.4 Ų65.421%0.20933%0.33CS..Hα-helixtrans-70.5-36.2179.9-60.69.2000111N241 L242 T248 G437 I439N241-N244 HydrophobicContact CB-CB 4.48Å; N241-N244 WeakPolarHBondContact O-CB 3.38Å; N241-N244 PolarHBondContact O-N 3.36Å; L242-N244 VanDerWaalsContact C-N 3.27Å; L242-N244 PolarHBondContact O-N 3.44Å; N244-T248 WeakPolarHBondContact O-CB 3.47Å; N244-T248 PolarHBondContact O-N 3.14Å; N244-T248 PolarHBondContact O-OG1 3.3Å; N244-G437 VanDerWaalsContact CB-O 3.24Å; N244-G437 WeakPolarHBondContact CB-O 3.34Å; N244-G437 PolarHBondContact ND2-O 3.23Å; N244-I439 HydrophobicContact CB-CD1 3.96Å; N244-I439 HydrophobicContact CB-CG1 3.53Å
245I77.4Confident72.3Confident27 Ų2762.4 Ų62.414%0.13832%0.317CS..Hα-helixtrans-63.1-47.7170.8-70-176.3000110.6A195 A212 I213 N241 L242 A247 T248 I249 I439A195-I245 HydrophobicContact CB-CD1 3.84Å; A212-I245 HydrophobicContact CB-CD1 3.52Å; A212-I245 HydrophobicContact CB-CG1 4.17Å; I213-I245 HydrophobicContact CD1-CD1 4.25Å; I213-I245 HydrophobicContact CG1-CD1 3.85Å; N241-I245 PolarHBondContact O-N 2.9Å; L242-I245 PolarHBondContact O-N 2.99Å; I245-A247 VanDerWaalsContact C-N 3.29Å; I245-A247 PolarHBondContact O-N 3.48Å; I245-T248 WeakPolarHBondContact O-CB 3.18Å; I245-T248 PolarHBondContact O-N 3.02Å; I245-T248 VanDerWaalsContact O-N 3.14Å; I245-I249 HydrophobicContact CG2-CD1 3.86Å; I245-I249 HydrophobicContact CG2-CG1 4.41Å; I245-I249 WeakPolarHBondContact O-CG1 3.21Å; I245-I249 PolarHBondContact O-N 3.4Å; I245-I439 HydrophobicContact CG1-CD1 3.62Å
246L79.8Confident73.6Confident96 Ų9656.8 Ų56.850%0.50330%0.298SS..Hα-helixtrans-64.2-38.4-179-170.1133.8000111.2L242 M243 I249 L250L242-L246 WeakPolarHBondContact O-CB 3.35Å; L242-L246 PolarHBondContact O-N 3.32Å; M243-L246 PolarHBondContact O-N 2.87Å; L246-I249 PolarHBondContact O-N 3.06Å; L246-L250 WeakPolarHBondContact O-CB 3.48Å; L246-L250 PolarHBondContact O-N 3.4Å
247A79.2Confident75Confident4 Ų462.9 Ų62.93%0.03332%0.322CS..Hα-helixtrans-59.4-48.2169.400000111.8M243 I245 I249 L250 V251 L436M243-A247 VanDerWaalsContact O-CB 3.27Å; M243-A247 WeakPolarHBondContact O-CB 3.27Å; M243-A247 PolarHBondContact O-N 3.48Å; I245-A247 VanDerWaalsContact C-N 3.29Å; I245-A247 PolarHBondContact O-N 3.48Å; A247-I249 VanDerWaalsContact C-N 3.34Å; A247-I249 PolarHBondContact O-N 2.91Å; A247-L250 PolarHBondContact O-N 3.14Å; A247-V251 WeakPolarHBondContact O-CB 3.4Å; A247-V251 VanDerWaalsContact O-CG2 3.27Å; A247-V251 WeakPolarHBondContact O-CG2 3.28Å; A247-V251 PolarHBondContact O-N 3.44Å; A247-L436 HydrophobicContact CB-CB 3.83Å
248T81.9Confident76.5Confident15 Ų1557.1 Ų57.19%0.09230%0.295CS..Hα-helixtrans-59.3-43.1176.3-62.50000111.8N244 I245 V251 F252 I439 I445N244-T248 WeakPolarHBondContact O-CB 3.47Å; N244-T248 PolarHBondContact O-N 3.14Å; N244-T248 PolarHBondContact O-OG1 3.3Å; I245-T248 WeakPolarHBondContact O-CB 3.18Å; I245-T248 PolarHBondContact O-N 3.02Å; I245-T248 VanDerWaalsContact O-N 3.14Å; T248-V251 PolarHBondContact O-N 3.33Å; T248-F252 WeakPolarHBondContact O-CB 3.5Å; T248-F252 PolarHBondContact O-N 3.03Å; T248-I439 PolarHBondContact OG1-N 3.23Å; T248-I445 HydrophobicContact CG2-CD1 3.97Å; T248-I445 HydrophobicContact CG2-CG1 4.48Å
249I85Confident77.6Confident109 Ų10951.1 Ų51.156%0.55926%0.262SS*.Hα-helixtrans-64.1-43.1176.8-67.5169.4000111I245 L246 A247 F252 A253I245-I249 HydrophobicContact CG2-CD1 3.86Å; I245-I249 HydrophobicContact CG2-CG1 4.41Å; I245-I249 WeakPolarHBondContact O-CG1 3.21Å; I245-I249 PolarHBondContact O-N 3.4Å; L246-I249 PolarHBondContact O-N 3.06Å; A247-I249 VanDerWaalsContact C-N 3.34Å; A247-I249 PolarHBondContact O-N 2.91Å; I249-F252 PolarHBondContact O-N 2.68Å; I249-A253 WeakPolarHBondContact O-CB 3.29Å; I249-A253 PolarHBondContact O-N 2.85Å
250L85.5Confident78.5Confident89 Ų8952.9 Ų52.947%0.46628%0.277SS..Hα-helixtrans-61.7-50.3177.4-175160.2000110.6L246 A247 F252 A253 V254 L436L246-L250 WeakPolarHBondContact O-CB 3.48Å; L246-L250 PolarHBondContact O-N 3.4Å; A247-L250 PolarHBondContact O-N 3.14Å; L250-F252 VanDerWaalsContact C-N 3.31Å; L250-F252 PolarHBondContact O-N 3.16Å; L250-A253 PolarHBondContact O-N 2.76Å; L250-V254 HydrophobicContact CD2-CG2 3.93Å; L250-V254 WeakPolarHBondContact O-CB 3.37Å; L250-V254 VanDerWaalsContact O-CG2 3.28Å; L250-V254 WeakPolarHBondContact O-CG2 3.49Å; L250-V254 PolarHBondContact O-N 3Å; L250-L436 HydrophobicContact CD2-CD1 4.49Å
251V83.6Confident79.7Confident6 Ų656.2 Ų56.24%0.03629%0.289CS..Hα-helixtrans-57.6-47.1176.4170.80000110A247 T248 A253 V254 V255 A433 L436A247-V251 WeakPolarHBondContact O-CB 3.4Å; A247-V251 VanDerWaalsContact O-CG2 3.27Å; A247-V251 WeakPolarHBondContact O-CG2 3.28Å; A247-V251 PolarHBondContact O-N 3.44Å; T248-V251 PolarHBondContact O-N 3.33Å; V251-A253 PolarHBondContact O-N 3.41Å; V251-V254 PolarHBondContact O-N 2.88Å; V251-V255 HydrophobicContact CG1-CG2 4.16Å; V251-V255 WeakPolarHBondContact O-CB 3.18Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 3.49Å; V251-A433 HydrophobicContact CB-CB 4.48Å; V251-A433 HydrophobicContact CG1-CB 3.75Å; V251-A433 HydrophobicContact CG2-CB 3.93Å; V251-L436 HydrophobicContact CG2-CD1 3.94Å
252F85.1Confident80.3Confident88 Ų8862.8 Ų62.839%0.38631%0.312SS..Hα-helixtrans-57.1-46.4178.1-174.9-95000112.3T248 I249 L250 V255 I256 V449T248-F252 WeakPolarHBondContact O-CB 3.5Å; T248-F252 PolarHBondContact O-N 3.03Å; I249-F252 PolarHBondContact O-N 2.68Å; L250-F252 VanDerWaalsContact C-N 3.31Å; L250-F252 PolarHBondContact O-N 3.16Å; F252-V255 PolarHBondContact O-N 2.69Å; F252-I256 HydrophobicContact CD1-CD1 3.64Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.36Å; F252-I256 HydrophobicContact CE2-CD1 4.46Å; F252-I256 HydrophobicContact CG-CD1 4.44Å; F252-I256 HydrophobicContact CZ-CD1 3.66Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 3.15Å; F252-V449 HydrophobicContact CD2-CB 4.47Å; F252-V449 HydrophobicContact CD2-CG2 3.27Å; F252-V449 HydrophobicContact CE2-CB 4.29Å; F252-V449 HydrophobicContact CE2-CG1 4.27Å; F252-V449 HydrophobicContact CE2-CG2 3.43Å; F252-V449 VanDerWaalsContact CE2-CG2 3.43Å; F252-V449 HydrophobicContact CG-CG2 4.3Å
253A86.1Confident80.6Confident56 Ų5664.6 Ų64.646%0.46333%0.325SS..Hα-helixtrans-63.6-43.1177.500000112.3I249 L250 V251 I256 Y257I249-A253 WeakPolarHBondContact O-CB 3.29Å; I249-A253 PolarHBondContact O-N 2.85Å; L250-A253 PolarHBondContact O-N 2.76Å; V251-A253 PolarHBondContact O-N 3.41Å; A253-I256 PolarHBondContact O-N 2.84Å; A253-Y257 WeakPolarHBondContact O-CB 3.46Å; A253-Y257 PolarHBondContact O-N 3.44Å
254V85.6Confident80.9Confident48 Ų4863.6 Ų63.629%0.29132%0.321SS..Hα-helixtrans-63.7-42.1177.6171.60000111L250 V251 Y257 F258 L429L250-V254 HydrophobicContact CD2-CG2 3.93Å; L250-V254 WeakPolarHBondContact O-CB 3.37Å; L250-V254 VanDerWaalsContact O-CG2 3.28Å; L250-V254 WeakPolarHBondContact O-CG2 3.49Å; L250-V254 PolarHBondContact O-N 3Å; V251-V254 PolarHBondContact O-N 2.88Å; V254-Y257 WeakPolarHBondContact O-CB 3.36Å; V254-Y257 PolarHBondContact O-N 3.04Å; V254-F258 HydrophobicContact CG1-CD2 3.57Å; V254-F258 HydrophobicContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact O-CD2 3.23Å; V254-F258 WeakPolarHBondContact O-CD2 3.36Å; V254-F258 PolarHBondContact O-N 3.18Å; V254-L429 HydrophobicContact CG1-CD2 3.58Å
255V83.6Confident80.8Confident1 Ų162.7 Ų62.71%0.00632%0.317CS..Hα-helixtrans-63.8-44.5178.2173.80000111.3V251 F252 Y257 F258 Q259 L429 L446 V449V251-V255 HydrophobicContact CG1-CG2 4.16Å; V251-V255 WeakPolarHBondContact O-CB 3.18Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 3.49Å; F252-V255 PolarHBondContact O-N 2.69Å; V255-Y257 VanDerWaalsContact C-N 3.3Å; V255-Y257 PolarHBondContact O-N 2.98Å; V255-F258 PolarHBondContact O-N 3.44Å; V255-Q259 VanDerWaalsContact O-CB 3.27Å; V255-Q259 WeakPolarHBondContact O-CB 3.34Å; V255-Q259 PolarHBondContact O-N 3.36Å; V255-L429 HydrophobicContact CG2-CD1 4.33Å; V255-L446 HydrophobicContact CB-CD2 4.27Å; V255-L446 HydrophobicContact CG1-CD2 3.79Å; V255-L446 HydrophobicContact CG2-CD2 3.37Å; V255-L446 HydrophobicContact CG2-CG 4.41Å; V255-V449 HydrophobicContact CB-CG1 4.4Å; V255-V449 HydrophobicContact CG1-CB 3.92Å; V255-V449 HydrophobicContact CG1-CG1 3.71Å; V255-V449 HydrophobicContact CG1-CG2 4.27Å
256I84.1Confident80.4Confident64 Ų6463.8 Ų63.833%0.32833%0.329SS..Hα-helixtrans-60.8-42.3176-70.4172.2000111.2F252 A253 Q259 S260 V449F252-I256 HydrophobicContact CD1-CD1 3.64Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.36Å; F252-I256 HydrophobicContact CE2-CD1 4.46Å; F252-I256 HydrophobicContact CG-CD1 4.44Å; F252-I256 HydrophobicContact CZ-CD1 3.66Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 3.15Å; A253-I256 PolarHBondContact O-N 2.84Å; I256-Q259 PolarHBondContact O-N 3.49Å; I256-S260 PolarHBondContact O-N 2.9Å; I256-S260 PolarHBondContact O-OG 2.82Å; I256-V449 HydrophobicContact CG1-CG1 3.74Å
257Y85.1Confident80Confident155 Ų15559.6 Ų59.661%0.60831%0.308SS*.Hα-helixtrans-60.6-48.4176.9-178.2-101.2000111A253 V254 V255 Q259 S260 F261A253-Y257 WeakPolarHBondContact O-CB 3.46Å; A253-Y257 PolarHBondContact O-N 3.44Å; V254-Y257 WeakPolarHBondContact O-CB 3.36Å; V254-Y257 PolarHBondContact O-N 3.04Å; V255-Y257 VanDerWaalsContact C-N 3.3Å; V255-Y257 PolarHBondContact O-N 2.98Å; Y257-Q259 VanDerWaalsContact C-N 3.33Å; Y257-Q259 PolarHBondContact O-N 3.01Å; Y257-S260 WeakPolarHBondContact O-CB 3.27Å; Y257-S260 PolarHBondContact O-N 2.76Å; Y257-F261 AromaticContact CD1-CE2 3.91Å; Y257-F261 HydrophobicContact CD1-CE2 3.91Å; Y257-F261 HydrophobicContact CD1-CZ 4.35Å; Y257-F261 AromaticContact CE1-CE2 3.57Å; Y257-F261 HydrophobicContact CE1-CE2 3.57Å; Y257-F261 AromaticContact CE1-CZ 3.57Å; Y257-F261 HydrophobicContact CE1-CZ 3.57Å; Y257-F261 AromaticContact CZ-CZ 3.82Å
258F82.3Confident79.5Confident66 Ų6664.5 Ų64.529%0.28933%0.329SS..Hα-helixtrans-66.5-34.2178.4-81.2-64.9000113.4V254 V255 S260 F261 F284 L429V254-F258 HydrophobicContact CG1-CD2 3.57Å; V254-F258 HydrophobicContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact O-CD2 3.23Å; V254-F258 WeakPolarHBondContact O-CD2 3.36Å; V254-F258 PolarHBondContact O-N 3.18Å; V255-F258 PolarHBondContact O-N 3.44Å; F258-S260 PolarHBondContact O-N 2.98Å; F258-F261 AromaticContact CD1-CD2 3.9Å; F258-F261 HydrophobicContact CD1-CD2 3.9Å; F258-F261 AromaticContact CD1-CE2 3.77Å; F258-F261 HydrophobicContact CD1-CE2 3.77Å; F258-F261 HydrophobicContact CE1-CE2 4.17Å; F258-F261 WeakPolarHBondContact O-CD2 3.36Å; F258-F261 PolarHBondContact O-N 2.96Å; F258-F284 HydrophobicContact CB-CE2 4.15Å; F258-F284 HydrophobicContact CB-CZ 3.94Å; F258-L429 HydrophobicContact CB-CD1 4.4Å; F258-L429 HydrophobicContact CD2-CD1 3.96Å; F258-L429 HydrophobicContact CD2-CD2 4.08Å; F258-L429 HydrophobicContact CE2-CD2 4.19Å; F258-L429 HydrophobicContact CG-CD1 4.4Å
259Q77.7Confident78.6Confident12 Ų1265 Ų656%0.05633%0.332CS..Hα-helixtrans-69.2-20.1178.7-169.2162.522.900112.9V255 I256 Y257 F261 F284 Y453V255-Q259 VanDerWaalsContact O-CB 3.27Å; V255-Q259 WeakPolarHBondContact O-CB 3.34Å; V255-Q259 PolarHBondContact O-N 3.36Å; I256-Q259 PolarHBondContact O-N 3.49Å; Y257-Q259 VanDerWaalsContact C-N 3.33Å; Y257-Q259 PolarHBondContact O-N 3.01Å; Q259-F261 VanDerWaalsContact C-N 3.3Å; Q259-F284 HydrophobicContact CB-CD2 4.06Å; Q259-F284 HydrophobicContact CB-CE2 3.91Å; Q259-F284 HydrophobicContact CG-CD2 4.05Å; Q259-F284 HydrophobicContact CG-CE2 4.4Å; Q259-Y453 VanDerWaalsContact CD-CB 3.41Å; Q259-Y453 VanDerWaalsContact CD-CD1 3.47Å; Q259-Y453 HydrophobicContact CG-CD1 3.6Å; Q259-Y453 HydrophobicContact CG-CD2 4.19Å; Q259-Y453 HydrophobicContact CG-CE1 3.84Å; Q259-Y453 HydrophobicContact CG-CE2 4.39Å; Q259-Y453 HydrophobicContact CG-CG 3.79Å; Q259-Y453 VanDerWaalsContact OE1-CB 3.24Å
260S76.7Confident77.7Confident64 Ų6465 Ų6545%0.44833%0.332SS..THydrogen-bonded Turntrans-77.2-13.4176.6-58.60000113.4I256 Y257 F258 R262I256-S260 PolarHBondContact O-N 2.9Å; I256-S260 PolarHBondContact O-OG 2.82Å; Y257-S260 WeakPolarHBondContact O-CB 3.27Å; Y257-S260 PolarHBondContact O-N 2.76Å; F258-S260 PolarHBondContact O-N 2.98Å; S260-R262 PolarHBondContact O-N 2.81Å
261F81.3Confident76.8Confident91 Ų9169.2 Ų69.240%0.39934%0.342SS..  trans-70.7114.9175.8-72.6-70.6000111.3Y257 F258 Q259 L283Y257-F261 AromaticContact CD1-CE2 3.91Å; Y257-F261 HydrophobicContact CD1-CE2 3.91Å; Y257-F261 HydrophobicContact CD1-CZ 4.35Å; Y257-F261 AromaticContact CE1-CE2 3.57Å; Y257-F261 HydrophobicContact CE1-CE2 3.57Å; Y257-F261 AromaticContact CE1-CZ 3.57Å; Y257-F261 HydrophobicContact CE1-CZ 3.57Å; Y257-F261 AromaticContact CZ-CZ 3.82Å; F258-F261 AromaticContact CD1-CD2 3.9Å; F258-F261 HydrophobicContact CD1-CD2 3.9Å; F258-F261 AromaticContact CD1-CE2 3.77Å; F258-F261 HydrophobicContact CD1-CE2 3.77Å; F258-F261 HydrophobicContact CE1-CE2 4.17Å; F258-F261 WeakPolarHBondContact O-CD2 3.36Å; F258-F261 PolarHBondContact O-N 2.96Å; Q259-F261 VanDerWaalsContact C-N 3.3Å; F261-L283 HydrophobicContact CB-CB 4.11Å; F261-L283 HydrophobicContact CB-CD2 4.19Å; F261-L283 PolarHBondContact O-N 3.42Å
262R77.2Confident76Confident156 Ų15675.4 Ų75.459%0.58937%0.366SS*.EExtended strand (participates in β ladder)trans-131.9143.3173.667.5-177.1-166.4-153.1-4.3110.8S260 D264 K282S260-R262 PolarHBondContact O-N 2.81Å; R262-D264 IonicContact CZ-OD2 2.7Å; R262-D264 IonicContact NE-OD1 2.63Å; R262-D264 PolarHBondContact NE-OD1 3.37Å; R262-D264 IonicContact NE-OD2 2.69Å; R262-D264 PolarHBondContact NE-OD2 3.33Å; R262-D264 IonicContact NH2-OD2 2.7Å; R262-K282 HydrophobicContact CB-CG 4.5Å
263V72.5Confident74.9Confident76 Ų7683.5 Ų83.546%0.46139%0.394SS..EExtended strand (participates in β ladder)trans-103.4105.1171.3-179.90000107I265 I281V263-I265 PolarHBondContact O-N 3.48Å; V263-I281 PolarHBondContact N-O 3.46Å; V263-I281 PolarHBondContact O-N 3.05Å
264D76Confident74Confident73 Ų7384.3 Ų84.339%0.3941%0.408SS..EExtended strand (participates in β ladder)trans-84109.9-179.8-70.9-42000109.8R262 P280R262-D264 IonicContact CZ-OD2 2.7Å; R262-D264 IonicContact NE-OD1 2.63Å; R262-D264 PolarHBondContact NE-OD1 3.37Å; R262-D264 IonicContact NE-OD2 2.69Å; R262-D264 PolarHBondContact NE-OD2 3.33Å; R262-D264 IonicContact NH2-OD2 2.7Å; D264-P280 VanDerWaalsContact OD1-CA 3.31Å; D264-P280 WeakPolarHBondContact OD1-CA 3.38Å; D264-P280 WeakPolarHBondContact OD1-CB 3.08Å
265I71.5Confident73.1Confident21 Ų2186.9 Ų86.911%0.10842%0.417CS..EExtended strand (participates in β ladder)trans-93.5121.9171-58-176.4000107.8V263 V267 Y279 I281 V399 Y414V263-I265 PolarHBondContact O-N 3.48Å; I265-V267 PolarHBondContact O-N 2.91Å; I265-Y279 PolarHBondContact N-O 3.18Å; I265-Y279 VanDerWaalsContact N-O 3.08Å; I265-Y279 PolarHBondContact O-N 2.98Å; I265-I281 HydrophobicContact CD1-CD1 3.52Å; I265-I281 HydrophobicContact CD1-CG1 4.38Å; I265-I281 HydrophobicContact CG1-CD1 4.28Å; I265-V399 HydrophobicContact CG2-CG1 4.3Å; I265-V399 HydrophobicContact CG2-CG2 4.34Å; I265-Y414 HydrophobicContact CD1-CD2 4.16Å
266A69.7Low72.1Confident49 Ų4990.7 Ų90.741%0.40544%0.443SS..EExtended strand (participates in β ladder)trans-69.5126.3176.500000110.2P400A266-P400 WeakPolarHBondContact O-CD 3.44Å
267V69.8Low71.3Confident9 Ų991.7 Ų91.76%0.05545%0.452CS..EExtended strand (participates in β ladder)trans-119.7137.8174.4-166.10000108.4I265 T277 V398 V399I265-V267 PolarHBondContact O-N 2.91Å; V267-T277 CarbonylContact C-O 3.55Å; V267-T277 WeakPolarHBondContact CA-O 3.29Å; V267-T277 PolarHBondContact N-O 3.25Å; V267-T277 PolarHBondContact O-N 3.26Å; V267-V398 WeakPolarHBondContact CG1-O 3.36Å; V267-V399 HydrophobicContact CG2-CG2 4.43Å
268K68.8Low70.5Confident107 Ų10787.6 Ų87.647%0.46545%0.447SS..EExtended strand (participates in β ladder)trans-106.7134.1176.9-66.9-169.6-178.3178.70109.7V398 P400K268-V398 PolarHBondContact N-O 2.91Å; K268-V398 PolarHBondContact O-N 3.16Å; K268-P400 HydrophobicContact CD-CB 3.96Å; K268-P400 HydrophobicContact CD-CG 4.48Å; K268-P400 HydrophobicContact CG-CB 4.26Å; K268-P400 HydrophobicContact CG-CG 4.35Å
269S63.5Low69.8Low24 Ų2488.6 Ų88.617%0.16845%0.449CS..EExtended strand (participates in β ladder)trans-70.4133.4169.1-174.80000109.8R271 Y272 Q275S269-R271 VanDerWaalsContact C-N 3.3Å; S269-R271 PolarHBondContact OG-N 2.99Å; S269-Y272 PolarHBondContact OG-N 3.35Å; S269-Q275 PolarHBondContact N-O 3.36Å; S269-Q275 VanDerWaalsContact N-O 3.16Å
270I66.8Low69.4Low109 Ų10989.6 Ų89.656%0.55946%0.457SS*.SBendtrans-71.5-32.4169.5-59164.5000109.8Q396 V398I270-Q396 WeakPolarHBondContact CB-O 3.37Å; I270-Q396 WeakPolarHBondContact CG1-O 3.42Å; I270-Q396 PolarHBondContact N-O 2.82Å; I270-V398 HydrophobicContact CD1-CB 4.48Å; I270-V398 HydrophobicContact CD1-CG1 3.5Å; I270-V398 HydrophobicContact CD1-CG2 4.24Å; I270-V398 HydrophobicContact CG1-CB 4.41Å; I270-V398 HydrophobicContact CG1-CG1 3.93Å; I270-V398 HydrophobicContact CG1-CG2 3.68Å
271R66.7Low68.9Low178 Ų17886.8 Ų86.867%0.67244%0.437SS*.SBendtrans-72-38.7-173.6-161.4179.1-150.2-1777.3112.8S269S269-R271 VanDerWaalsContact C-N 3.3Å; S269-R271 PolarHBondContact OG-N 2.99Å
272Y66.3Low68.3Low137 Ų13784.2 Ų84.254%0.53743%0.425SS..SBendtrans-117.6100.9179.5-64.1-77.2000109.9S269 G274 Q275S269-Y272 PolarHBondContact OG-N 3.35Å; Y272-G274 PolarHBondContact O-N 3.29Å; Y272-G274 VanDerWaalsContact O-N 3.15Å; Y272-Q275 PolarHBondContact O-N 3.25Å; Y272-Q275 VanDerWaalsContact O-N 3.15Å
273R62Low67.9Low257 Ų25778.6 Ų78.697%0.9741%0.407SS*.THydrogen-bonded Turntrans-61.3118178.9-166.1173.6-178.2176.5-0.5109.3
274G66.2Low67.6Low74 Ų7475.6 Ų75.676%0.76339%0.388SS*.THydrogen-bonded Turntrans103.4-11.417900000115Y272 S276Y272-G274 PolarHBondContact O-N 3.29Å; Y272-G274 VanDerWaalsContact O-N 3.15Å; G274-S276 PolarHBondContact O-N 3.42Å; G274-S276 VanDerWaalsContact O-N 3.11Å
275Q67.3Low66.7Low102 Ų10274.2 Ų74.248%0.47738%0.377SS..  trans-80.795.7174-164.1175.216.100109.5S269 Y272S269-Q275 PolarHBondContact N-O 3.36Å; S269-Q275 VanDerWaalsContact N-O 3.16Å; Y272-Q275 PolarHBondContact O-N 3.25Å; Y272-Q275 VanDerWaalsContact O-N 3.15Å
276S63.3Low66.2Low81 Ų8173.7 Ų73.757%0.56638%0.375SS*.EExtended strand (participates in β ladder)trans-88.7117.2166.455.20000109.1G274G274-S276 PolarHBondContact O-N 3.42Å; G274-S276 VanDerWaalsContact O-N 3.11Å
277T66.3Low66.1Low84 Ų8473.4 Ų73.452%0.51537%0.37SS..EExtended strand (participates in β ladder)trans-112.6124.8172.2-550000107.2V267V267-T277 CarbonylContact C-O 3.55Å; V267-T277 WeakPolarHBondContact CA-O 3.29Å; V267-T277 PolarHBondContact N-O 3.25Å; V267-T277 PolarHBondContact O-N 3.26Å
278S69.3Low66.2Low70 Ų7073.9 Ų73.949%0.4937%0.372SS..EExtended strand (participates in β ladder)trans-74.3128.4173.6-59.50000109.1P280S278-P280 VanDerWaalsContact O-CD 3.25Å; S278-P280 WeakPolarHBondContact O-CD 3.06Å
279Y67.8Low66.2Low86 Ų8669.6 Ų69.634%0.33736%0.357SS..EExtended strand (participates in β ladder)trans-95.1104.1170.5-170.3-94.7000108.4I265 I281I265-Y279 PolarHBondContact N-O 3.18Å; I265-Y279 VanDerWaalsContact N-O 3.08Å; I265-Y279 PolarHBondContact O-N 2.98Å; Y279-I281 HydrophobicContact CD1-CG1 4.03Å; Y279-I281 HydrophobicContact CE1-CG1 4.21Å; Y279-I281 PolarHBondContact O-N 3.12Å
280P69.4Low66.5Low34 Ų3468.6 Ų68.622%0.22135%0.35CS..EExtended strand (participates in β ladder)trans-74.4112.1-17927.9-33.3000110.5D264 S278 K282D264-P280 VanDerWaalsContact OD1-CA 3.31Å; D264-P280 WeakPolarHBondContact OD1-CA 3.38Å; D264-P280 WeakPolarHBondContact OD1-CB 3.08Å; S278-P280 VanDerWaalsContact O-CD 3.25Å; S278-P280 WeakPolarHBondContact O-CD 3.06Å; P280-K282 PolarHBondContact O-N 3.44Å
281I64.9Low66.7Low5 Ų563.5 Ų63.53%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-87102.2164.4-58.8-175.5000107.1V263 I265 Y279 Y285 I415 A418V263-I281 PolarHBondContact N-O 3.46Å; V263-I281 PolarHBondContact O-N 3.05Å; I265-I281 HydrophobicContact CD1-CD1 3.52Å; I265-I281 HydrophobicContact CD1-CG1 4.38Å; I265-I281 HydrophobicContact CG1-CD1 4.28Å; Y279-I281 HydrophobicContact CD1-CG1 4.03Å; Y279-I281 HydrophobicContact CE1-CG1 4.21Å; Y279-I281 PolarHBondContact O-N 3.12Å; I281-Y285 HydrophobicContact CG2-CD2 3.73Å; I281-Y285 HydrophobicContact CG2-CE2 4.13Å; I281-I415 HydrophobicContact CD1-CG1 4.22Å; I281-A418 HydrophobicContact CG2-CB 4.39Å
282K69.3Low67Low37 Ų3758.2 Ų58.216%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-68.9148.2175.9-61-173.8-176.6-179.50110.7R262 P280 F284 Y285 E457R262-K282 HydrophobicContact CB-CG 4.5Å; P280-K282 PolarHBondContact O-N 3.44Å; K282-F284 PolarHBondContact O-N 3.44Å; K282-Y285 PolarHBondContact O-N 2.95Å; K282-E457 VanDerWaalsContact CE-OE1 3.27Å; K282-E457 WeakPolarHBondContact CE-OE1 3.18Å; K282-E457 WeakPolarHBondContact CE-OE2 3.45Å; K282-E457 IonicContact NZ-OE1 3.62Å; K282-E457 PolarHBondContact NZ-OE1 3.34Å; K282-E457 IonicContact NZ-OE2 2.89Å; K282-E457 PolarHBondContact NZ-OE2 2.78Å
283L67.8Low67.4Low37 Ų3754.2 Ų54.219%0.19430%0.295CS..SBendtrans-56.6-39.9171.9-174.268.7000111F261 Y285 A418 L421 G422F261-L283 HydrophobicContact CB-CB 4.11Å; F261-L283 HydrophobicContact CB-CD2 4.19Å; F261-L283 PolarHBondContact O-N 3.42Å; L283-Y285 PolarHBondContact O-N 3.36Å; L283-A418 VanDerWaalsContact O-O 3.09Å; L283-L421 HydrophobicContact CD1-CB 4.45Å; L283-G422 WeakPolarHBondContact O-CA 3.22Å
284F67.5Low68.1Low14 Ų1442.4 Ų42.46%0.06125%0.251CS..SBendtrans-84.562.4170.4-57.8-46.4000111.6F258 Q259 K282 T286 S287 C425 I426 L429F258-F284 HydrophobicContact CB-CE2 4.15Å; F258-F284 HydrophobicContact CB-CZ 3.94Å; Q259-F284 HydrophobicContact CB-CD2 4.06Å; Q259-F284 HydrophobicContact CB-CE2 3.91Å; Q259-F284 HydrophobicContact CG-CD2 4.05Å; Q259-F284 HydrophobicContact CG-CE2 4.4Å; K282-F284 PolarHBondContact O-N 3.44Å; F284-T286 PolarHBondContact O-N 3.34Å; F284-S287 PolarHBondContact O-N 3.17Å; F284-S287 VanDerWaalsContact O-N 3.09Å; F284-C425 HydrophobicContact CE1-CB 4.32Å; F284-I426 HydrophobicContact CD1-CD1 3.48Å; F284-I426 VanDerWaalsContact CD1-CD1 3.48Å; F284-I426 HydrophobicContact CD1-CG1 3.51Å; F284-I426 HydrophobicContact CE1-CD1 3.9Å; F284-I426 HydrophobicContact CE1-CG1 3.34Å; F284-I426 HydrophobicContact CG-CD1 4.2Å; F284-I426 HydrophobicContact CG-CG1 4.47Å; F284-I426 HydrophobicContact CZ-CG1 4.14Å; F284-L429 HydrophobicContact CZ-CD1 4.43Å
285Y56.6Low68.4Low43 Ų4340 Ų4017%0.16922%0.222CC..THydrogen-bonded Turntrans-59.5-44.4-176.1-168.4-107.2000112.4I281 K282 L283 S287 V388 I415I281-Y285 HydrophobicContact CG2-CD2 3.73Å; I281-Y285 HydrophobicContact CG2-CE2 4.13Å; K282-Y285 PolarHBondContact O-N 2.95Å; L283-Y285 PolarHBondContact O-N 3.36Å; Y285-S287 PolarHBondContact O-N 3.45Å; Y285-V388 WeakPolarHBondContact OH-CG2 3.29Å; Y285-I415 HydrophobicContact CD1-CG2 3.99Å; Y285-I415 HydrophobicContact CE1-CG2 3.66Å
286T61.5Low68.7Low10 Ų1036.5 Ų36.56%0.06121%0.211CC..THydrogen-bonded Turntrans-83.38178.5540000113.7F284 N288 A289 P290 S374 W377 I378 A419F284-T286 PolarHBondContact O-N 3.34Å; T286-N288 PolarHBondContact O-N 3.26Å; T286-A289 PolarHBondContact O-N 2.7Å; T286-P290 WeakPolarHBondContact OG1-CG 3.36Å; T286-S374 PolarHBondContact OG1-OG 3.43Å; T286-S374 VanDerWaalsContact OG1-OG 3.07Å; T286-W377 HydrophobicContact CG2-CB 4.39Å; T286-I378 HydrophobicContact CG2-CG1 3.66Å; T286-A419 HydrophobicContact CG2-CB 4.3Å
287S68.2Low69.3Low44 Ų4435.7 Ų35.731%0.30820%0.2SC..THydrogen-bonded Turntrans50.1-134.8-175.8-59.70000111.8F284 Y285 Q454F284-S287 PolarHBondContact O-N 3.17Å; F284-S287 VanDerWaalsContact O-N 3.09Å; Y285-S287 PolarHBondContact O-N 3.45Å; S287-Q454 PolarHBondContact OG-NE2 3.38Å
288N71.5Confident69.7Low18 Ų1832.5 Ų32.510%0.09618%0.18CC..THydrogen-bonded Turntrans-92.8-7.4-174-55.8-16.9000114.2T286 P290 I291 M292 M447 T450T286-N288 PolarHBondContact O-N 3.26Å; N288-P290 VanDerWaalsContact C-CD 3.45Å; N288-P290 VanDerWaalsContact C-N 3.35Å; N288-I291 PolarHBondContact O-N 3.02Å; N288-I291 VanDerWaalsContact O-N 3.16Å; N288-M292 WeakPolarHBondContact O-CB 3.41Å; N288-M292 PolarHBondContact O-N 3.19Å; N288-M447 HydrophobicContact CB-SD 3.71Å; N288-T450 WeakPolarHBondContact ND2-CB 3.28Å; N288-T450 PolarHBondContact ND2-OG1 3.27Å; N288-T450 WeakPolarHBondContact OD1-CB 3.49Å; N288-T450 VanDerWaalsContact OD1-CG2 3.24Å; N288-T450 WeakPolarHBondContact OD1-CG2 3.34Å; N288-T450 PolarHBondContact OD1-OG1 3.07Å
289A69.2Low69.7Low17 Ų1729.3 Ų29.314%0.1416%0.158CC..Hα-helixtrans-57.8-40.2-171.300000113.4T286 I291 M292 L293 W377T286-A289 PolarHBondContact O-N 2.7Å; A289-I291 PolarHBondContact O-N 2.96Å; A289-M292 PolarHBondContact O-N 3.45Å; A289-L293 WeakPolarHBondContact O-CB 3.38Å; A289-L293 WeakPolarHBondContact O-CG 3.27Å; A289-L293 PolarHBondContact O-N 3.32Å; A289-W377 HydrophobicContact CB-CD2 3.75Å; A289-W377 HydrophobicContact CB-CE3 4.4Å; A289-W377 HydrophobicContact CB-CG 4.17Å; A289-W377 HydrophobicContact CB-CH2 4.16Å; A289-W377 HydrophobicContact CB-CZ2 3.49Å; A289-W377 VanDerWaalsContact CB-CZ2 3.49Å
290P68.8Low70.1Confident3 Ų329.5 Ų29.52%0.01917%0.165CC..Hα-helixtrans-63.7-40178.1-22.634.5000112.9T286 N288 Q294 F373T286-P290 WeakPolarHBondContact OG1-CG 3.36Å; N288-P290 VanDerWaalsContact C-CD 3.45Å; N288-P290 VanDerWaalsContact C-N 3.35Å; P290-Q294 VanDerWaalsContact O-CB 3.26Å; P290-Q294 WeakPolarHBondContact O-CB 3.33Å; P290-Q294 PolarHBondContact O-N 3.33Å; P290-F373 HydrophobicContact CB-CB 4.23Å
291I70.8Confident70.2Confident3 Ų330.8 Ų30.82%0.01517%0.169CC..Hα-helixtrans-69.5-38.3178.3-128.1-176.3000110.7N288 A289 Q294 S295 M366 I426 T443 L446 M447N288-I291 PolarHBondContact O-N 3.02Å; N288-I291 VanDerWaalsContact O-N 3.16Å; A289-I291 PolarHBondContact O-N 2.96Å; I291-Q294 PolarHBondContact O-N 3.19Å; I291-S295 WeakPolarHBondContact O-CB 3.19Å; I291-S295 PolarHBondContact O-N 3.46Å; I291-M366 HydrophobicContact CG1-CE 4.25Å; I291-I426 HydrophobicContact CB-CG2 4.08Å; I291-I426 HydrophobicContact CD1-CG2 3.23Å; I291-I426 HydrophobicContact CG1-CG2 3.68Å; I291-T443 HydrophobicContact CD1-CG2 4.3Å; I291-L446 HydrophobicContact CD1-CB 4.47Å; I291-L446 HydrophobicContact CD1-CD1 3.69Å; I291-M447 HydrophobicContact CG2-CG 3.94Å; I291-M447 HydrophobicContact CG2-SD 3.86Å
292M72.5Confident70.4Confident66 Ų6631 Ų3133%0.32517%0.17SC..Hα-helixtrans-64.3-45177.7-173.8-170.6-68.700110.7N288 A289 A296 M447N288-M292 WeakPolarHBondContact O-CB 3.41Å; N288-M292 PolarHBondContact O-N 3.19Å; A289-M292 PolarHBondContact O-N 3.45Å; M292-A296 VanDerWaalsContact O-CB 3.23Å; M292-A296 WeakPolarHBondContact O-CB 3.44Å; M292-A296 PolarHBondContact O-N 3.28Å; M292-M447 HydrophobicContact CB-CE 4.4Å; M292-M447 HydrophobicContact CB-SD 4.18Å; M292-M447 HydrophobicContact CE-CE 3.53Å; M292-M447 HydrophobicContact CE-SD 4.12Å; M292-M447 HydrophobicContact CG-CE 4.26Å
293L74.7Confident70.2Confident53 Ų5330.6 Ų30.628%0.27717%0.17SC..Hα-helixtrans-66.2-44.1176.7-74.8178000112.5A289 A296 L297 W377A289-L293 WeakPolarHBondContact O-CB 3.38Å; A289-L293 WeakPolarHBondContact O-CG 3.27Å; A289-L293 PolarHBondContact O-N 3.32Å; L293-A296 PolarHBondContact O-N 2.71Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 3.47Å; L293-L297 PolarHBondContact O-N 3.13Å; L293-W377 HydrophobicContact CD1-CD2 4.41Å; L293-W377 HydrophobicContact CD1-CE3 3.39Å; L293-W377 HydrophobicContact CD1-CZ3 3.52Å; L293-W377 HydrophobicContact CG-CE3 4.49Å; L293-W377 HydrophobicContact CG-CZ3 4.28Å
294Q78Confident70.2Confident10 Ų1034 Ų345%0.04719%0.187CC..Hα-helixtrans-61.3-46.8177.4-177.3-77.9-21.700110.5P290 I291 L297 V298 M366 S369 F373P290-Q294 VanDerWaalsContact O-CB 3.26Å; P290-Q294 WeakPolarHBondContact O-CB 3.33Å; P290-Q294 PolarHBondContact O-N 3.33Å; I291-Q294 PolarHBondContact O-N 3.19Å; Q294-L297 PolarHBondContact O-N 3.12Å; Q294-V298 WeakPolarHBondContact O-CB 3.49Å; Q294-V298 WeakPolarHBondContact O-CG2 3.39Å; Q294-V298 PolarHBondContact O-N 2.95Å; Q294-M366 HydrophobicContact CG-CE 4.46Å; Q294-M366 HydrophobicContact CG-SD 4.11Å; Q294-M366 PolarHBondContact NE2-SD 3.11Å; Q294-S369 WeakPolarHBondContact CG-OG 3.32Å; Q294-F373 HydrophobicContact CB-CD2 4.17Å
295S72.8Confident70.2Confident23 Ų2333.6 Ų33.616%0.16119%0.186CC..Hα-helixtrans-65.7-40.4179.7-175.80000111.6I68 I291 V298 S299I68-S295 WeakPolarHBondContact CD1-OG 3.28Å; I291-S295 WeakPolarHBondContact O-CB 3.19Å; I291-S295 PolarHBondContact O-N 3.46Å; S295-V298 PolarHBondContact O-N 2.97Å; S295-S299 WeakPolarHBondContact O-CB 3.22Å; S295-S299 PolarHBondContact O-N 3.11Å
296A72.7Confident70.7Confident29 Ų2933.5 Ų33.524%0.2419%0.187CC..Hα-helixtrans-63.3-41.6173.400000112.2M292 L293 S299 N300M292-A296 VanDerWaalsContact O-CB 3.23Å; M292-A296 WeakPolarHBondContact O-CB 3.44Å; M292-A296 PolarHBondContact O-N 3.28Å; L293-A296 PolarHBondContact O-N 2.71Å; A296-S299 PolarHBondContact O-N 3.45Å; A296-N300 WeakPolarHBondContact O-CB 3.28Å; A296-N300 PolarHBondContact O-N 2.89Å; A296-N300 PolarHBondContact O-ND2 3.48Å; A296-N300 VanDerWaalsContact O-ND2 3.16Å
297L75.6Confident70.9Confident64 Ų6438.3 Ų38.334%0.33521%0.21SC..Hα-helixtrans-64-47.2177179.6150.4000111.2L293 Q294 N300 L301 F373L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 3.47Å; L293-L297 PolarHBondContact O-N 3.13Å; Q294-L297 PolarHBondContact O-N 3.12Å; L297-N300 PolarHBondContact O-N 3.14Å; L297-L301 HydrophobicContact CD2-CD1 3.48Å; L297-L301 VanDerWaalsContact CD2-CD1 3.48Å; L297-L301 HydrophobicContact CD2-CG 4.16Å; L297-L301 HydrophobicContact CG-CD1 4.42Å; L297-L301 WeakPolarHBondContact O-CB 3.21Å; L297-L301 WeakPolarHBondContact O-CG 3.11Å; L297-L301 PolarHBondContact O-N 3.23Å; L297-F373 HydrophobicContact CD1-CE2 4.21Å; L297-F373 HydrophobicContact CD1-CZ 3.65Å
298V74.2Confident71Confident16 Ų1639.6 Ų39.610%0.09721%0.213CC..Hα-helixtrans-63.5-43.5178.2166.40000111Q294 S295 N300 L301 Y302 F365Q294-V298 WeakPolarHBondContact O-CB 3.49Å; Q294-V298 WeakPolarHBondContact O-CG2 3.39Å; Q294-V298 PolarHBondContact O-N 2.95Å; S295-V298 PolarHBondContact O-N 2.97Å; V298-N300 PolarHBondContact O-N 2.86Å; V298-L301 PolarHBondContact O-N 2.91Å; V298-Y302 HydrophobicContact CG1-CD2 3.73Å; V298-Y302 HydrophobicContact CG1-CE2 3.13Å; V298-Y302 WeakPolarHBondContact O-CD2 3.35Å; V298-Y302 PolarHBondContact O-N 3.44Å; V298-F365 HydrophobicContact CG2-CE1 4.13Å
299S70.6Confident70.6Confident4 Ų439.4 Ų39.43%0.02821%0.214CC..Hα-helixtrans-59.5-46.1174.6-173.90000112S295 A296 L301 Y302 V303S295-S299 WeakPolarHBondContact O-CB 3.22Å; S295-S299 PolarHBondContact O-N 3.11Å; A296-S299 PolarHBondContact O-N 3.45Å; S299-L301 PolarHBondContact O-N 3.42Å; S299-Y302 PolarHBondContact O-N 2.8Å; S299-V303 WeakPolarHBondContact O-CG2 3.49Å; S299-V303 PolarHBondContact O-N 3.16Å
300N75Confident70.5Confident89 Ų8942.4 Ų42.448%0.47623%0.234SC..Hα-helixtrans-64.4-39.3176.6-72.6-27.2000112.2A296 L297 V298 Y302 V303 M304A296-N300 WeakPolarHBondContact O-CB 3.28Å; A296-N300 PolarHBondContact O-N 2.89Å; A296-N300 PolarHBondContact O-ND2 3.48Å; A296-N300 VanDerWaalsContact O-ND2 3.16Å; L297-N300 PolarHBondContact O-N 3.14Å; V298-N300 PolarHBondContact O-N 2.86Å; N300-Y302 VanDerWaalsContact C-N 3.35Å; N300-V303 PolarHBondContact O-N 3.37Å; N300-M304 WeakPolarHBondContact O-CB 3.16Å; N300-M304 VanDerWaalsContact O-CG 3.31Å; N300-M304 WeakPolarHBondContact O-CG 3.27Å; N300-M304 PolarHBondContact O-N 3.42Å
301L72.7Confident70.3Confident61 Ų6150 Ų5032%0.31927%0.266SS..Hα-helixtrans-62.3-41174.2-75.8177.7000111.7L297 V298 S299 M304 S305 M343L297-L301 HydrophobicContact CD2-CD1 3.48Å; L297-L301 VanDerWaalsContact CD2-CD1 3.48Å; L297-L301 HydrophobicContact CD2-CG 4.16Å; L297-L301 HydrophobicContact CG-CD1 4.42Å; L297-L301 WeakPolarHBondContact O-CB 3.21Å; L297-L301 WeakPolarHBondContact O-CG 3.11Å; L297-L301 PolarHBondContact O-N 3.23Å; V298-L301 PolarHBondContact O-N 2.91Å; S299-L301 PolarHBondContact O-N 3.42Å; L301-M304 HydrophobicContact CD2-CE 3.98Å; L301-M304 PolarHBondContact O-N 3.4Å; L301-S305 WeakPolarHBondContact O-CB 3.3Å; L301-S305 PolarHBondContact O-N 3.49Å; L301-S305 PolarHBondContact O-OG 2.88Å; L301-M343 HydrophobicContact CD1-CE 4.42Å; L301-M343 HydrophobicContact CD1-SD 3.91Å
302Y68.1Low69.8Low10 Ų1055.5 Ų55.54%0.03929%0.29CS..Hα-helixtrans-64.1-47175.4-75-49.5000112.9V298 S299 N300 M304 S305 Q306 W324 C340 M343 T344V298-Y302 HydrophobicContact CG1-CD2 3.73Å; V298-Y302 HydrophobicContact CG1-CE2 3.13Å; V298-Y302 WeakPolarHBondContact O-CD2 3.35Å; V298-Y302 PolarHBondContact O-N 3.44Å; S299-Y302 PolarHBondContact O-N 2.8Å; N300-Y302 VanDerWaalsContact C-N 3.35Å; Y302-M304 VanDerWaalsContact C-N 3.31Å; Y302-M304 PolarHBondContact O-N 3.38Å; Y302-S305 PolarHBondContact O-N 2.91Å; Y302-S305 PolarHBondContact O-OG 3.5Å; Y302-Q306 VanDerWaalsContact O-CB 3.29Å; Y302-Q306 WeakPolarHBondContact O-CB 3.27Å; Y302-Q306 PolarHBondContact O-N 2.97Å; Y302-W324 AromaticContact CD1-CH2 3.63Å; Y302-W324 HydrophobicContact CD1-CH2 3.63Å; Y302-W324 AromaticContact CD1-CZ2 3.78Å; Y302-W324 HydrophobicContact CD1-CZ2 3.78Å; Y302-W324 HydrophobicContact CE1-CH2 4.45Å; Y302-W324 HydrophobicContact CG-CH2 4.18Å; Y302-C340 HydrophobicContact CD1-CB 4.27Å; Y302-C340 HydrophobicContact CE1-CB 4.06Å; Y302-C340 WeakPolarHBondContact CE1-O 3.48Å; Y302-M343 WeakPolarHBondContact OH-CB 3.48Å; Y302-M343 PolarHBondContact OH-O 3.5Å; Y302-T344 VanDerWaalsContact CE1-OG1 3.29Å; Y302-T344 WeakPolarHBondContact CE1-OG1 3.46Å; Y302-T344 WeakPolarHBondContact OH-CA 3.27Å; Y302-T344 PolarHBondContact OH-N 3.09Å; Y302-T344 PolarHBondContact OH-OG1 3.46Å
303V65.7Low69.1Low28 Ų2862.1 Ų62.117%0.1731%0.312CS..Hα-helixtrans-62.6-43.4178.7174.90000110.1L62 S299 N300 S305 Q306 M307L62-V303 HydrophobicContact CD2-CG2 3.73Å; S299-V303 WeakPolarHBondContact O-CG2 3.49Å; S299-V303 PolarHBondContact O-N 3.16Å; N300-V303 PolarHBondContact O-N 3.37Å; V303-S305 PolarHBondContact O-N 3.43Å; V303-Q306 PolarHBondContact O-N 3.04Å; V303-M307 HydrophobicContact CG1-CE 3.74Å; V303-M307 HydrophobicContact CG1-CG 4.42Å; V303-M307 HydrophobicContact CG1-SD 4.24Å; V303-M307 WeakPolarHBondContact O-CB 3.4Å; V303-M307 VanDerWaalsContact O-CG 3.27Å; V303-M307 WeakPolarHBondContact O-CG 3.3Å; V303-M307 PolarHBondContact O-N 3.3Å
304M68.5Low68.4Low109 Ų10962.5 Ų62.554%0.53733%0.328SS..Hα-helixtrans-61.7-44.1175.7-76.8-168.3-71.600112N300 L301 Y302 M307 L308N300-M304 WeakPolarHBondContact O-CB 3.16Å; N300-M304 VanDerWaalsContact O-CG 3.31Å; N300-M304 WeakPolarHBondContact O-CG 3.27Å; N300-M304 PolarHBondContact O-N 3.42Å; L301-M304 HydrophobicContact CD2-CE 3.98Å; L301-M304 PolarHBondContact O-N 3.4Å; Y302-M304 VanDerWaalsContact C-N 3.31Å; Y302-M304 PolarHBondContact O-N 3.38Å; M304-M307 PolarHBondContact O-N 3.21Å; M304-L308 WeakPolarHBondContact O-CB 3.32Å; M304-L308 PolarHBondContact O-N 3.47Å
305S67.1Low67.9Low6 Ų666.2 Ų66.24%0.04235%0.349CS..Hα-helixtrans-70.3-36-179.871.60000112.3L301 Y302 V303 L308 A309 W324 C340L301-S305 WeakPolarHBondContact O-CB 3.3Å; L301-S305 PolarHBondContact O-N 3.49Å; L301-S305 PolarHBondContact O-OG 2.88Å; Y302-S305 PolarHBondContact O-N 2.91Å; Y302-S305 PolarHBondContact O-OG 3.5Å; V303-S305 PolarHBondContact O-N 3.43Å; S305-L308 PolarHBondContact O-N 3.11Å; S305-A309 WeakPolarHBondContact O-CB 3.39Å; S305-A309 PolarHBondContact O-N 3.22Å; S305-W324 VanDerWaalsContact OG-CZ2 3.31Å; S305-W324 WeakPolarHBondContact OG-CZ2 3.21Å; S305-W324 PolarHBondContact OG-NE1 3.37Å; S305-C340 WeakPolarHBondContact CB-SG 3.34Å; S305-C340 PolarHBondContact OG-SG 3.18Å
306Q65.5Low67.4Low40 Ų4073.3 Ų73.319%0.18738%0.377CS..Hα-helixtrans-66.3-40.6173.5-169.4-17712.200111.5Y302 V303 S310 W324Y302-Q306 VanDerWaalsContact O-CB 3.29Å; Y302-Q306 WeakPolarHBondContact O-CB 3.27Å; Y302-Q306 PolarHBondContact O-N 2.97Å; V303-Q306 PolarHBondContact O-N 3.04Å; Q306-S310 WeakPolarHBondContact O-CB 3.35Å; Q306-S310 PolarHBondContact O-N 2.76Å; Q306-S310 PolarHBondContact O-OG 2.87Å; Q306-W324 HydrophobicContact CB-CD2 4.43Å; Q306-W324 HydrophobicContact CB-CZ2 4.19Å; Q306-W324 HydrophobicContact CG-CD2 4.45Å
307M67.3Low66.8Low111 Ų11177.5 Ų77.555%0.54739%0.394SS..Hα-helixtrans-67.9-37.4174.7-74-171.5-178.800112.6V303 M304 S310 K311V303-M307 HydrophobicContact CG1-CE 3.74Å; V303-M307 HydrophobicContact CG1-CG 4.42Å; V303-M307 HydrophobicContact CG1-SD 4.24Å; V303-M307 WeakPolarHBondContact O-CB 3.4Å; V303-M307 VanDerWaalsContact O-CG 3.27Å; V303-M307 WeakPolarHBondContact O-CG 3.3Å; V303-M307 PolarHBondContact O-N 3.3Å; M304-M307 PolarHBondContact O-N 3.21Å; M307-S310 PolarHBondContact O-OG 3.28Å; M307-K311 WeakPolarHBondContact O-CB 3.5Å; M307-K311 WeakPolarHBondContact O-CG 3.37Å; M307-K311 PolarHBondContact O-N 2.92Å; M307-K311 VanDerWaalsContact O-N 3.14Å
308L69Low66.1Low72 Ų7275 Ų7538%0.37738%0.38SS..Hα-helixtrans-68.9-42.6174.5-112.264.7000111.5M304 S305 S310 K311 F312 I318 L321M304-L308 WeakPolarHBondContact O-CB 3.32Å; M304-L308 PolarHBondContact O-N 3.47Å; S305-L308 PolarHBondContact O-N 3.11Å; L308-S310 VanDerWaalsContact C-N 3.31Å; L308-S310 PolarHBondContact O-N 3.17Å; L308-K311 PolarHBondContact O-N 2.82Å; L308-F312 PolarHBondContact O-N 2.7Å; L308-I318 HydrophobicContact CB-CD1 4.43Å; L308-I318 HydrophobicContact CD2-CD1 4.37Å; L308-I318 HydrophobicContact CD2-CG1 4.35Å; L308-I318 HydrophobicContact CG-CD1 4.25Å; L308-L321 HydrophobicContact CD2-CD1 4.15Å
309A64.8Low65.4Low13 Ų1378.4 Ų78.411%0.10740%0.398CS..Hα-helixtrans-65.9-32.3178.400000112.5S305 R313 I318 W324S305-A309 WeakPolarHBondContact O-CB 3.39Å; S305-A309 PolarHBondContact O-N 3.22Å; A309-R313 WeakPolarHBondContact O-CG 3.3Å; A309-I318 HydrophobicContact CB-CG2 4.4Å; A309-W324 HydrophobicContact CB-CG 4.49Å
310S65.1Low64.9Low80 Ų8082.8 Ų82.856%0.55942%0.421SS*.Hα-helixtrans-76.7-37.5175.463.40000113.1Q306 M307 L308Q306-S310 WeakPolarHBondContact O-CB 3.35Å; Q306-S310 PolarHBondContact O-N 2.76Å; Q306-S310 PolarHBondContact O-OG 2.87Å; M307-S310 PolarHBondContact O-OG 3.28Å; L308-S310 VanDerWaalsContact C-N 3.31Å; L308-S310 PolarHBondContact O-N 3.17Å
311K65.2Low64.1Low163 Ų16381.2 Ų81.271%0.70941%0.412SS*.Hα-helixtrans-83.6-30.6-178-71.5-174.6179.1-1740114.7M307 L308M307-K311 WeakPolarHBondContact O-CB 3.5Å; M307-K311 WeakPolarHBondContact O-CG 3.37Å; M307-K311 PolarHBondContact O-N 2.92Å; M307-K311 VanDerWaalsContact O-N 3.14Å; L308-K311 PolarHBondContact O-N 2.82Å
312F60.1Low63.4Low118 Ų11878.4 Ų78.452%0.51840%0.398SS..  trans-13354.8-170.7-68.2-81.2000111.6L308 G314 I318L308-F312 PolarHBondContact O-N 2.7Å; F312-G314 PolarHBondContact O-N 2.69Å; F312-I318 HydrophobicContact CB-CD1 3.23Å; F312-I318 HydrophobicContact CD2-CD1 4.48Å; F312-I318 HydrophobicContact CG-CD1 4.12Å
313R58.9Low63Low206 Ų20681 Ų8178%0.77742%0.415SS*.THydrogen-bonded Turntrans-59.2111.8167.7-69.8-172.3173.7168.5-3.2109A309A309-R313 WeakPolarHBondContact O-CG 3.3Å
314G60.3Low62.8Low60 Ų6081.7 Ų81.762%0.61941%0.414SS*.THydrogen-bonded Turntrans134.6-13.9173.200000116.8F312F312-G314 PolarHBondContact O-N 2.69Å
315N66.6Low61.9Low89 Ų8979 Ų7948%0.47641%0.406SS..  trans-83.1133.5177.6-73.621000111.1I317 I318 N319N315-I317 PolarHBondContact O-N 3.21Å; N315-I318 HydrophobicContact CB-CB 4.25Å; N315-I318 HydrophobicContact CB-CD1 3.97Å; N315-I318 HydrophobicContact CB-CG1 3.97Å; N315-I318 WeakPolarHBondContact O-CA 3.14Å; N315-I318 PolarHBondContact O-N 2.63Å; N315-N319 PolarHBondContact O-N 3.06Å
316F61.8Low61.4Low172 Ų17283.4 Ų83.475%0.75443%0.429SS*.Hα-helixtrans-52.1-40176179.5-98.7000112.7I318 N319 L320F316-I318 PolarHBondContact O-N 2.55Å; F316-N319 PolarHBondContact O-N 2.84Å; F316-L320 WeakPolarHBondContact O-CB 3.32Å; F316-L320 PolarHBondContact O-N 2.72Å
317I61.6Low60.6Low116 Ų11683 Ų8360%0.59544%0.436SS*.Hα-helixtrans-63.3-32.4177.6-62.3166.2000111.4N315 L320 L321N315-I317 PolarHBondContact O-N 3.21Å; I317-L320 PolarHBondContact O-N 3.48Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 WeakPolarHBondContact O-CB 3.48Å; I317-L321 WeakPolarHBondContact O-CD1 3.4Å; I317-L321 WeakPolarHBondContact O-CG 3.47Å; I317-L321 PolarHBondContact O-N 3.26Å
318I59Low59.1Low11 Ų1188.1 Ų88.16%0.05646%0.458CS..Hα-helixtrans-84.3-35.9-176.1-61.8-178.9000110.7L308 A309 F312 N315 F316 L320 L321 G322L308-I318 HydrophobicContact CB-CD1 4.43Å; L308-I318 HydrophobicContact CD2-CD1 4.37Å; L308-I318 HydrophobicContact CD2-CG1 4.35Å; L308-I318 HydrophobicContact CG-CD1 4.25Å; A309-I318 HydrophobicContact CB-CG2 4.4Å; F312-I318 HydrophobicContact CB-CD1 3.23Å; F312-I318 HydrophobicContact CD2-CD1 4.48Å; F312-I318 HydrophobicContact CG-CD1 4.12Å; N315-I318 HydrophobicContact CB-CB 4.25Å; N315-I318 HydrophobicContact CB-CD1 3.97Å; N315-I318 HydrophobicContact CB-CG1 3.97Å; N315-I318 WeakPolarHBondContact O-CA 3.14Å; N315-I318 PolarHBondContact O-N 2.63Å; F316-I318 PolarHBondContact O-N 2.55Å; I318-L320 VanDerWaalsContact C-N 3.26Å; I318-L320 PolarHBondContact O-N 2.95Å; I318-L321 PolarHBondContact O-N 3.39Å; I318-G322 PolarHBondContact O-N 3.02Å
319N60Low57.6Low89 Ų8987.6 Ų87.648%0.47647%0.47SS..Hα-helixtrans-64.4-33.3166.9-77-3.2000111.9N315 F316 V323N315-N319 PolarHBondContact O-N 3.06Å; F316-N319 PolarHBondContact O-N 2.84Å; N319-V323 HydrophobicContact CB-CG2 4.21Å
320L60.7Low56.4Low95 Ų9589.3 Ų89.350%0.49749%0.489SS..Hα-helixtrans-70.9-33.8172.6-170.168.7000112.1F316 I317 I318 G338 L339F316-L320 WeakPolarHBondContact O-CB 3.32Å; F316-L320 PolarHBondContact O-N 2.72Å; I317-L320 PolarHBondContact O-N 3.48Å; I318-L320 VanDerWaalsContact C-N 3.26Å; I318-L320 PolarHBondContact O-N 2.95Å; L320-G338 CarbonylContact O-C 3.58Å; L320-G338 VanDerWaalsContact O-CA 3.31Å; L320-G338 WeakPolarHBondContact O-CA 3.07Å; L320-L339 HydrophobicContact CG-CD1 4.26Å; L320-L339 PolarHBondContact O-N 3.13Å
321L58.4Low55.6Low57 Ų5789.7 Ų89.730%0.29849%0.492SS..Hα-helixtrans-71.4-47.1176.3-89153.6000112.1L308 I317 I318 L339 C340L308-L321 HydrophobicContact CD2-CD1 4.15Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 WeakPolarHBondContact O-CB 3.48Å; I317-L321 WeakPolarHBondContact O-CD1 3.4Å; I317-L321 WeakPolarHBondContact O-CG 3.47Å; I317-L321 PolarHBondContact O-N 3.26Å; I318-L321 PolarHBondContact O-N 3.39Å; L321-L339 PolarHBondContact O-N 2.86Å; L321-C340 VanDerWaalsContact O-CB 3.26Å; L321-C340 WeakPolarHBondContact O-CB 3.07Å; L321-C340 PolarHBondContact O-N 3.32Å; L321-C340 PolarHBondContact O-SG 3.46Å
322G58Low54.9Low2 Ų288.6 Ų88.62%0.02148%0.483CS..  trans173.6114.7-175.600000113.5I318 G337I318-G322 PolarHBondContact O-N 3.02Å; G322-G337 CarbonylContact C-O 3.59Å; G322-G337 WeakPolarHBondContact CA-O 3.49Å
323V58.7Low54.5Low64 Ų6484.4 Ų84.439%0.38847%0.469SS..EExtended strand (participates in β ladder)trans-88.5110.4163.4-177.40000107.6N319 P335 I336 G337N319-V323 HydrophobicContact CB-CG2 4.21Å; V323-P335 CarbonylContact O-C 3.49Å; V323-I336 PolarHBondContact O-N 3.3Å; V323-G337 PolarHBondContact N-O 3.45Å; V323-G337 PolarHBondContact O-N 2.9Å
324W61.8Low54.4Low42 Ų4277.6 Ų77.616%0.15945%0.45CS..EExtended strand (participates in β ladder)trans-92.1130.5174.1-62.381.6000109Y302 S305 Q306 A309 P335Y302-W324 AromaticContact CD1-CH2 3.63Å; Y302-W324 HydrophobicContact CD1-CH2 3.63Å; Y302-W324 AromaticContact CD1-CZ2 3.78Å; Y302-W324 HydrophobicContact CD1-CZ2 3.78Å; Y302-W324 HydrophobicContact CE1-CH2 4.45Å; Y302-W324 HydrophobicContact CG-CH2 4.18Å; S305-W324 VanDerWaalsContact OG-CZ2 3.31Å; S305-W324 WeakPolarHBondContact OG-CZ2 3.21Å; S305-W324 PolarHBondContact OG-NE1 3.37Å; Q306-W324 HydrophobicContact CB-CD2 4.43Å; Q306-W324 HydrophobicContact CB-CZ2 4.19Å; Q306-W324 HydrophobicContact CG-CD2 4.45Å; A309-W324 HydrophobicContact CB-CG 4.49Å; W324-P335 HydrophobicContact CD2-CB 4.16Å; W324-P335 HydrophobicContact CE3-CB 4.07Å; W324-P335 HydrophobicContact CE3-CG 4.37Å; W324-P335 HydrophobicContact CH2-CB 4.42Å; W324-P335 HydrophobicContact CH2-CG 4.28Å; W324-P335 HydrophobicContact CZ3-CB 4.21Å; W324-P335 HydrophobicContact CZ3-CG 4.07Å
325S51.1Low54.2Low52 Ų5275 Ų7536%0.36442%0.422SS..EExtended strand (participates in β ladder)trans-119.5140.4167.7-169.90000108.6G327 V334S325-G327 PolarHBondContact O-N 3.48Å; S325-V334 PolarHBondContact N-O 3.35Å; S325-V334 VanDerWaalsContact N-O 3.11Å; S325-V334 PolarHBondContact O-N 3.45Å; S325-V334 VanDerWaalsContact O-O 3.08Å
326D56Low53.7Low100 Ų10076.3 Ų76.354%0.53543%0.428SS..EExtended strand (participates in β ladder)trans-68.6119169.3-59.1-41.2000107.3S333D326-S333 PolarHBondContact OD1-OG 3.02Å
327G48.4Very low53.2Low31 Ų3169.1 Ų69.132%0.3240%0.402SS..  trans-64.6152.3174.500000110.5S325 G329 G330 R332S325-G327 PolarHBondContact O-N 3.48Å; G327-G329 PolarHBondContact O-N 3.11Å; G327-G330 PolarHBondContact O-N 2.65Å; G327-R332 PolarHBondContact N-O 3.31Å
328E35.3Very low53.1Low219 Ų21964.5 Ų64.5100%1.02338%0.383SS*.THydrogen-bonded Turntrans-53.1106.3172.1-77.8-171.9143.900109.4
329G37.6Very low53.2Low60 Ų6068.2 Ų68.262%0.61940%0.403SS*.THydrogen-bonded Turntrans132.9-3.3-175.900000115.8G327 S331G327-G329 PolarHBondContact O-N 3.11Å; G329-S331 PolarHBondContact O-N 2.97Å; G329-S331 PolarHBondContact O-OG 3.15Å
330G39.3Very low53.1Low50 Ų5064.2 Ų64.252%0.51538%0.382SS..SBendtrans63.22.316600000116.5A59 G327A59-G330 WeakPolarHBondContact CB-O 3.47Å; G327-G330 PolarHBondContact O-N 2.65Å
331S48.4Very low53.2Low87 Ų8762.7 Ų62.761%0.60837%0.37SS*.SBendtrans-114.8-9.7-170.132.70000113.4G329G329-S331 PolarHBondContact O-N 2.97Å; G329-S331 PolarHBondContact O-OG 3.15Å
332R51.5Low53.4Low140 Ų14064.7 Ų64.753%0.52837%0.374SS..  trans-143.2114.4174-73.3-177162.8-178.3-7.9110.8G327 V334G327-R332 PolarHBondContact N-O 3.31Å; R332-V334 HydrophobicContact CB-CG2 4.44Å; R332-V334 PolarHBondContact O-N 3.19Å
333S51.9Low53.6Low31 Ų3166.5 Ų66.522%0.21738%0.383CS..EExtended strand (participates in β ladder)trans-78.6115164.3-51.10000107.9D326D326-S333 PolarHBondContact OD1-OG 3.02Å
334V56.7Low53.9Low62 Ų6264.4 Ų64.438%0.37637%0.37SS..EExtended strand (participates in β ladder)trans-102.7134.5178.3-177.20000107.5S325 R332 I336S325-V334 PolarHBondContact N-O 3.35Å; S325-V334 VanDerWaalsContact N-O 3.11Å; S325-V334 PolarHBondContact O-N 3.45Å; S325-V334 VanDerWaalsContact O-O 3.08Å; R332-V334 HydrophobicContact CB-CG2 4.44Å; R332-V334 PolarHBondContact O-N 3.19Å; V334-I336 PolarHBondContact O-N 3Å
335P55.3Low54Low7 Ų763.3 Ų63.35%0.04537%0.368CS..EExtended strand (participates in β ladder)trans-67.7119.1172.527.9-29.8000108.2V323 W324 Y341 T344V323-P335 CarbonylContact O-C 3.49Å; W324-P335 HydrophobicContact CD2-CB 4.16Å; W324-P335 HydrophobicContact CE3-CB 4.07Å; W324-P335 HydrophobicContact CE3-CG 4.37Å; W324-P335 HydrophobicContact CH2-CB 4.42Å; W324-P335 HydrophobicContact CH2-CG 4.28Å; W324-P335 HydrophobicContact CZ3-CB 4.21Å; W324-P335 HydrophobicContact CZ3-CG 4.07Å; P335-Y341 WeakPolarHBondContact O-CD2 3.38Å; P335-T344 HydrophobicContact CG-CG2 4.47Å
336I56.2Low54.5Low115 Ų11561.2 Ų61.259%0.5935%0.353SS*.EExtended strand (participates in β ladder)trans-90.4-14.8178.4-61.7-164.3000111.3V323 V334V323-I336 PolarHBondContact O-N 3.3Å; V334-I336 PolarHBondContact O-N 3Å
337G51Low54.6Low21 Ų2161.4 Ų61.422%0.21635%0.354CS..EExtended strand (participates in β ladder)trans-167.5162.5173.700000113.4G322 V323G322-G337 CarbonylContact C-O 3.59Å; G322-G337 WeakPolarHBondContact CA-O 3.49Å; V323-G337 PolarHBondContact N-O 3.45Å; V323-G337 PolarHBondContact O-N 2.9Å
338G60.4Low55Low19 Ų1962.9 Ų62.920%0.19636%0.36CS..SBendtrans114.3176177.200000114.3L320 C340 Y341 Y342L320-G338 CarbonylContact O-C 3.58Å; L320-G338 VanDerWaalsContact O-CA 3.31Å; L320-G338 WeakPolarHBondContact O-CA 3.07Å; G338-C340 PolarHBondContact O-N 3.4Å; G338-Y341 WeakPolarHBondContact O-CA 3.45Å; G338-Y341 WeakPolarHBondContact O-CB 3.48Å; G338-Y341 PolarHBondContact O-N 3.43Å; G338-Y342 PolarHBondContact O-N 3.34Å
339L60.8Low56.1Low89 Ų8956.6 Ų56.647%0.46633%0.333SS..Hα-helixtrans-55.2-33.6174.7-81.1157.5000112.2L320 L321 Y341 Y342 M343L320-L339 HydrophobicContact CG-CD1 4.26Å; L320-L339 PolarHBondContact O-N 3.13Å; L321-L339 PolarHBondContact O-N 2.86Å; L339-Y341 VanDerWaalsContact C-N 3.3Å; L339-Y341 PolarHBondContact O-N 2.83Å; L339-Y342 PolarHBondContact O-N 3.26Å; L339-M343 PolarHBondContact O-N 3.06Å
340C58.5Low57.2Low6 Ų655.6 Ų55.64%0.04132%0.323CS..Hα-helixtrans-67.1-29.8173.6-71.60000112.7Y302 S305 L321 G338 M343 T344Y302-C340 HydrophobicContact CD1-CB 4.27Å; Y302-C340 HydrophobicContact CE1-CB 4.06Å; Y302-C340 WeakPolarHBondContact CE1-O 3.48Å; S305-C340 WeakPolarHBondContact CB-SG 3.34Å; S305-C340 PolarHBondContact OG-SG 3.18Å; L321-C340 VanDerWaalsContact O-CB 3.26Å; L321-C340 WeakPolarHBondContact O-CB 3.07Å; L321-C340 PolarHBondContact O-N 3.32Å; L321-C340 PolarHBondContact O-SG 3.46Å; G338-C340 PolarHBondContact O-N 3.4Å; C340-M343 PolarHBondContact O-N 3.48Å; C340-T344 PolarHBondContact O-N 3.28Å; C340-T344 PolarHBondContact O-OG1 2.95Å
341Y61.7Low58.3Low63 Ų6357 Ų5725%0.24732%0.318CS..Hα-helixtrans-59.2-55.9170.2-174.2-112.6000108.7P335 G338 L339 M343 T344 H358P335-Y341 WeakPolarHBondContact O-CD2 3.38Å; G338-Y341 WeakPolarHBondContact O-CA 3.45Å; G338-Y341 WeakPolarHBondContact O-CB 3.48Å; G338-Y341 PolarHBondContact O-N 3.43Å; L339-Y341 VanDerWaalsContact C-N 3.3Å; L339-Y341 PolarHBondContact O-N 2.83Å; Y341-M343 PolarHBondContact O-N 2.95Å; Y341-T344 WeakPolarHBondContact O-CA 3.24Å; Y341-T344 WeakPolarHBondContact O-CB 3.19Å; Y341-T344 PolarHBondContact O-N 3.3Å; Y341-H358 AromaticContact CD1-CE1 3.48Å; Y341-H358 VanDerWaalsContact CD1-CE1 3.48Å; Y341-H358 WeakPolarHBondContact CD1-CE1 3.36Å; Y341-H358 AromaticContact CD1-ND1 3.14Å; Y341-H358 WeakPolarHBondContact CD1-ND1 3.44Å; Y341-H358 AromaticContact CD2-CE1 3.96Å; Y341-H358 HydrophobicContact CE1-CB 4.27Å; Y341-H358 AromaticContact CE1-CE1 3.49Å; Y341-H358 VanDerWaalsContact CE1-CE1 3.49Å; Y341-H358 WeakPolarHBondContact CE1-CE1 3.47Å; Y341-H358 AromaticContact CE1-CG 3.83Å; Y341-H358 AromaticContact CE1-ND1 3.1Å; Y341-H358 WeakPolarHBondContact CE1-ND1 3.07Å; Y341-H358 AromaticContact CE2-CE1 3.97Å; Y341-H358 AromaticContact CG-CE1 3.72Å; Y341-H358 AromaticContact CG-ND1 3.85Å; Y341-H358 AromaticContact CZ-CE1 3.73Å; Y341-H358 AromaticContact CZ-ND1 3.78Å; Y341-H358 PolarHBondContact O-CE1 3.47Å
342Y62Low58.8Low98 Ų9855.5 Ų55.538%0.38430%0.302SS..Hα-helixtrans-59.7-20.5-179.1-67.7-63.4000116.2G338 L339 H358 L361G338-Y342 PolarHBondContact O-N 3.34Å; L339-Y342 PolarHBondContact O-N 3.26Å; Y342-H358 HydrophobicContact CD1-CB 4.31Å; Y342-H358 AromaticContact CD1-ND1 3.77Å; Y342-H358 HydrophobicContact CE1-CB 4.33Å; Y342-L361 HydrophobicContact CD1-CB 4.29Å; Y342-L361 HydrophobicContact CD1-CD1 3.59Å; Y342-L361 HydrophobicContact CE1-CD1 3.73Å; Y342-L361 HydrophobicContact CG-CD1 4.1Å
343M62.5Low59.3Low41 Ų4155.8 Ų55.820%0.20231%0.313CS..Hα-helixtrans-86.5-13.8173.8-68.3-173.6173.500113.1L301 Y302 L339 C340 Y341 Y362 F365L301-M343 HydrophobicContact CD1-CE 4.42Å; L301-M343 HydrophobicContact CD1-SD 3.91Å; Y302-M343 WeakPolarHBondContact OH-CB 3.48Å; Y302-M343 PolarHBondContact OH-O 3.5Å; L339-M343 PolarHBondContact O-N 3.06Å; C340-M343 PolarHBondContact O-N 3.48Å; Y341-M343 PolarHBondContact O-N 2.95Å; M343-Y362 WeakPolarHBondContact O-CD2 3.39Å; M343-Y362 WeakPolarHBondContact O-CE2 3.45Å; M343-F365 HydrophobicContact CE-CD2 4.38Å; M343-F365 HydrophobicContact CE-CE1 4.18Å; M343-F365 HydrophobicContact CE-CE2 3.67Å; M343-F365 HydrophobicContact CE-CZ 3.55Å; M343-F365 HydrophobicContact CG-CD1 4.29Å; M343-F365 HydrophobicContact CG-CE1 4.03Å; M343-F365 HydrophobicContact CG-CZ 4.35Å; M343-F365 HydrophobicContact SD-CE1 4.16Å; M343-F365 HydrophobicContact SD-CZ 4.01Å
344T66Low60.2Low20 Ų2059.5 Ų59.512%0.12334%0.335CS..SBendtrans-84.1129.3-174-55.60000109.5Y302 P335 C340 Y341 H358Y302-T344 VanDerWaalsContact CE1-OG1 3.29Å; Y302-T344 WeakPolarHBondContact CE1-OG1 3.46Å; Y302-T344 WeakPolarHBondContact OH-CA 3.27Å; Y302-T344 PolarHBondContact OH-N 3.09Å; Y302-T344 PolarHBondContact OH-OG1 3.46Å; P335-T344 HydrophobicContact CG-CG2 4.47Å; C340-T344 PolarHBondContact O-N 3.28Å; C340-T344 PolarHBondContact O-OG1 2.95Å; Y341-T344 WeakPolarHBondContact O-CA 3.24Å; Y341-T344 WeakPolarHBondContact O-CB 3.19Å; Y341-T344 PolarHBondContact O-N 3.3Å; T344-H358 PolarHBondContact O-NE2 2.96Å
345P64.3Low60.9Low19 Ų1960.2 Ų60.212%0.12334%0.336CS..PPolyproline II helixtrans-57.1131.7173.122.9-31.7000109.2W64 D347 Y362 D434W64-P345 HydrophobicContact CH2-CG 3.95Å; W64-P345 HydrophobicContact CZ2-CG 4.47Å; P345-D347 PolarHBondContact O-N 3.31Å; P345-Y362 HydrophobicContact CB-CE1 4.21Å; P345-Y362 HydrophobicContact CB-CE2 4.13Å; P345-D434 HydrophobicContact CB-CB 4.37Å
346P60.1Low61.9Low7 Ų763.3 Ų63.35%0.04536%0.356CS..PPolyproline II helixtrans-65.1131.7169.927.2-31.8000108.9S348 D351 F435P346-S348 PolarHBondContact O-N 3.43Å; P346-D351 HydrophobicContact CB-CB 4.3Å; P346-F435 HydrophobicContact CG-CD1 4.08Å; P346-F435 HydrophobicContact CG-CE1 3.58Å
347D58.6Low63Low104 Ų10463.3 Ų63.356%0.55636%0.357SS*.SBendtrans-69.1-14.4-174.4-79.6-37.7000112.8P345P345-D347 PolarHBondContact O-N 3.31Å
348S57.1Low63.9Low63 Ų6362.6 Ų62.644%0.44135%0.348SS..SBendtrans-156.3152.3179.8-77.30000113P346 G350 D351 M352P346-S348 PolarHBondContact O-N 3.43Å; S348-G350 PolarHBondContact O-N 3.42Å; S348-G350 VanDerWaalsContact O-N 3.07Å; S348-D351 PolarHBondContact O-N 3.16Å; S348-M352 PolarHBondContact O-N 3.28Å
349L57.9Low64.5Low87 Ų8761.7 Ų61.746%0.45534%0.338SS..Hα-helixtrans-52.8-27.4168.8-76.1165.8000112.8M352 L353 F435L349-M352 PolarHBondContact O-N 2.96Å; L349-L353 PolarHBondContact O-N 3.3Å; L349-F435 HydrophobicContact CD2-CB 3.97Å; L349-F435 HydrophobicContact CD2-CG 4.41Å; L349-F435 HydrophobicContact CG-CB 4.43Å; L349-F435 WeakPolarHBondContact CG-O 3.19Å
350G60.6Low65.5Low39 Ų3963 Ų6340%0.40235%0.345SS..Hα-helixtrans-61.5-43.7173.700000112.9S348 M352 L353 V354S348-G350 PolarHBondContact O-N 3.42Å; S348-G350 VanDerWaalsContact O-N 3.07Å; G350-M352 VanDerWaalsContact C-N 3.34Å; G350-M352 PolarHBondContact O-N 3.38Å; G350-L353 WeakPolarHBondContact O-CB 3.48Å; G350-L353 PolarHBondContact O-N 3.07Å; G350-V354 WeakPolarHBondContact O-CG2 3.48Å; G350-V354 PolarHBondContact O-N 2.71Å
351D62.7Low66.6Low79 Ų7966.5 Ų66.542%0.42236%0.363SS..Hα-helixtrans-71.7-31.9-179.3-64.1-23.5000111.5P346 S348 L353 V354 D355P346-D351 HydrophobicContact CB-CB 4.3Å; S348-D351 PolarHBondContact O-N 3.16Å; D351-L353 VanDerWaalsContact C-N 3.29Å; D351-L353 PolarHBondContact O-N 3.41Å; D351-V354 PolarHBondContact O-N 2.94Å; D351-D355 PolarHBondContact O-N 3.46Å
352M59.4Low67.5Low56 Ų5664.1 Ų64.128%0.27635%0.353SS..Hα-helixtrans-66.8-31.2172.8-163.5-174.884.300112.6S348 L349 G350 D355 P356 F435S348-M352 PolarHBondContact O-N 3.28Å; L349-M352 PolarHBondContact O-N 2.96Å; G350-M352 VanDerWaalsContact C-N 3.34Å; G350-M352 PolarHBondContact O-N 3.38Å; M352-D355 CarbonylContact O-C 3.59Å; M352-P356 VanDerWaalsContact O-CA 3.3Å; M352-P356 WeakPolarHBondContact O-CA 3.48Å; M352-F435 HydrophobicContact SD-CD1 4.35Å; M352-F435 HydrophobicContact SD-CE1 3.74Å; M352-F435 HydrophobicContact SD-CE2 4.15Å; M352-F435 HydrophobicContact SD-CZ 3.63Å
353L62.4Low68.5Low145 Ų14561.9 Ų61.976%0.75935%0.347SS*.Hα-helixtrans-73.7-29.6175.4-80.5160.1000112.1L349 G350 D351L349-L353 PolarHBondContact O-N 3.3Å; G350-L353 WeakPolarHBondContact O-CB 3.48Å; G350-L353 PolarHBondContact O-N 3.07Å; D351-L353 VanDerWaalsContact C-N 3.29Å; D351-L353 PolarHBondContact O-N 3.41Å
354V70.2Confident69.5Low109 Ų10962.9 Ų62.966%0.66136%0.362SS*.Hα-helixtrans-75.2-46.6175.3177.40000110.3G350 D351 P356G350-V354 WeakPolarHBondContact O-CG2 3.48Å; G350-V354 PolarHBondContact O-N 2.71Å; D351-V354 PolarHBondContact O-N 2.94Å; V354-P356 WeakPolarHBondContact O-CD 3.24Å
355D71.4Confident70.4Confident77 Ų7765.1 Ų65.141%0.41237%0.37SS..  trans-123.581.1179.7-74.9-42.8000112.5D351 M352 I357 H358 G359D351-D355 PolarHBondContact O-N 3.46Å; M352-D355 CarbonylContact O-C 3.59Å; D355-I357 PolarHBondContact O-N 3.07Å; D355-H358 HydrophobicContact CB-CB 4.09Å; D355-H358 WeakPolarHBondContact O-CB 3.36Å; D355-H358 PolarHBondContact O-N 3.41Å; D355-H358 VanDerWaalsContact O-N 3.14Å; D355-G359 PolarHBondContact O-N 3.05Å
356P76.2Confident71.2Confident72 Ų7264.2 Ų64.247%0.46836%0.364SS..Hα-helixtrans-64.2-28.3-176.924.3-34.2000113.2M352 V354 H358 G359 I360M352-P356 VanDerWaalsContact O-CA 3.3Å; M352-P356 WeakPolarHBondContact O-CA 3.48Å; V354-P356 WeakPolarHBondContact O-CD 3.24Å; P356-H358 VanDerWaalsContact C-N 3.3Å; P356-H358 PolarHBondContact O-N 3.01Å; P356-G359 PolarHBondContact O-N 3.49Å; P356-I360 VanDerWaalsContact O-CG1 3.31Å; P356-I360 WeakPolarHBondContact O-CG1 3.2Å; P356-I360 PolarHBondContact O-N 3.21Å
357I79Confident72.5Confident116 Ų11665.8 Ų65.860%0.59537%0.372SS*.Hα-helixtrans-65-38.8178.6-61.8172.4000110.4D355 L361D355-I357 PolarHBondContact O-N 3.07Å; I357-L361 HydrophobicContact CG2-CD1 3.92Å; I357-L361 HydrophobicContact CG2-CG 4.47Å; I357-L361 WeakPolarHBondContact O-CB 3.37Å; I357-L361 WeakPolarHBondContact O-CG 3.46Å; I357-L361 PolarHBondContact O-N 3.49Å
358H70.1Confident73.8Confident6 Ų662.8 Ų62.83%0.02837%0.366CS..Hα-helixtrans-63.2-48.4177.417994.4000111.6Y341 Y342 T344 D355 P356 I360 L361 Y362Y341-H358 AromaticContact CD1-CE1 3.48Å; Y341-H358 VanDerWaalsContact CD1-CE1 3.48Å; Y341-H358 WeakPolarHBondContact CD1-CE1 3.36Å; Y341-H358 AromaticContact CD1-ND1 3.14Å; Y341-H358 WeakPolarHBondContact CD1-ND1 3.44Å; Y341-H358 AromaticContact CD2-CE1 3.96Å; Y341-H358 HydrophobicContact CE1-CB 4.27Å; Y341-H358 AromaticContact CE1-CE1 3.49Å; Y341-H358 VanDerWaalsContact CE1-CE1 3.49Å; Y341-H358 WeakPolarHBondContact CE1-CE1 3.47Å; Y341-H358 AromaticContact CE1-CG 3.83Å; Y341-H358 AromaticContact CE1-ND1 3.1Å; Y341-H358 WeakPolarHBondContact CE1-ND1 3.07Å; Y341-H358 AromaticContact CE2-CE1 3.97Å; Y341-H358 AromaticContact CG-CE1 3.72Å; Y341-H358 AromaticContact CG-ND1 3.85Å; Y341-H358 AromaticContact CZ-CE1 3.73Å; Y341-H358 AromaticContact CZ-ND1 3.78Å; Y341-H358 PolarHBondContact O-CE1 3.47Å; Y342-H358 HydrophobicContact CD1-CB 4.31Å; Y342-H358 AromaticContact CD1-ND1 3.77Å; Y342-H358 HydrophobicContact CE1-CB 4.33Å; T344-H358 PolarHBondContact O-NE2 2.96Å; D355-H358 HydrophobicContact CB-CB 4.09Å; D355-H358 WeakPolarHBondContact O-CB 3.36Å; D355-H358 PolarHBondContact O-N 3.41Å; D355-H358 VanDerWaalsContact O-N 3.14Å; P356-H358 VanDerWaalsContact C-N 3.3Å; P356-H358 PolarHBondContact O-N 3.01Å; H358-I360 PolarHBondContact O-N 3.17Å; H358-L361 PolarHBondContact O-N 3.4Å; H358-Y362 WeakPolarHBondContact O-CB 3.29Å; H358-Y362 PolarHBondContact O-N 3.37Å
359G73.8Confident75.1Confident0 Ų060.5 Ų60.50%035%0.35CS..Hα-helixtrans-58.6-47.5177.200000112.6D355 P356 L361 Y362 I363D355-G359 PolarHBondContact O-N 3.05Å; P356-G359 PolarHBondContact O-N 3.49Å; G359-L361 PolarHBondContact O-N 2.97Å; G359-Y362 PolarHBondContact O-N 2.99Å; G359-I363 WeakPolarHBondContact O-CG1 3.48Å; G359-I363 PolarHBondContact O-N 2.96Å
360I81.5Confident76.3Confident116 Ų11656.4 Ų56.460%0.59533%0.329SS*.Hα-helixtrans-64.1-43-178.8-67.4166.4000111.4P356 H358 I363 A364P356-I360 VanDerWaalsContact O-CG1 3.31Å; P356-I360 WeakPolarHBondContact O-CG1 3.2Å; P356-I360 PolarHBondContact O-N 3.21Å; H358-I360 PolarHBondContact O-N 3.17Å; I360-I363 PolarHBondContact O-N 3.3Å; I360-A364 WeakPolarHBondContact O-CB 3.39Å; I360-A364 PolarHBondContact O-N 3.29Å
361L81.8Confident77.4Confident80 Ų8055.6 Ų55.642%0.41932%0.318SS..Hα-helixtrans-64.8-41.9177.6-75.2173000111.7Y342 I357 H358 G359 A364 F365Y342-L361 HydrophobicContact CD1-CB 4.29Å; Y342-L361 HydrophobicContact CD1-CD1 3.59Å; Y342-L361 HydrophobicContact CE1-CD1 3.73Å; Y342-L361 HydrophobicContact CG-CD1 4.1Å; I357-L361 HydrophobicContact CG2-CD1 3.92Å; I357-L361 HydrophobicContact CG2-CG 4.47Å; I357-L361 WeakPolarHBondContact O-CB 3.37Å; I357-L361 WeakPolarHBondContact O-CG 3.46Å; I357-L361 PolarHBondContact O-N 3.49Å; H358-L361 PolarHBondContact O-N 3.4Å; G359-L361 PolarHBondContact O-N 2.97Å; L361-A364 PolarHBondContact O-N 3.21Å; L361-F365 VanDerWaalsContact O-CB 3.23Å; L361-F365 WeakPolarHBondContact O-CB 3.49Å; L361-F365 PolarHBondContact O-N 3.42Å
362Y79.6Confident78.6Confident12 Ų1258 Ų585%0.04733%0.325CS..Hα-helixtrans-59.8-48.2174.7175.3-105.9000111.6M343 P345 H358 G359 A364 F365 M366 V431 D434M343-Y362 WeakPolarHBondContact O-CD2 3.39Å; M343-Y362 WeakPolarHBondContact O-CE2 3.45Å; P345-Y362 HydrophobicContact CB-CE1 4.21Å; P345-Y362 HydrophobicContact CB-CE2 4.13Å; H358-Y362 WeakPolarHBondContact O-CB 3.29Å; H358-Y362 PolarHBondContact O-N 3.37Å; G359-Y362 PolarHBondContact O-N 2.99Å; Y362-A364 PolarHBondContact O-N 2.98Å; Y362-F365 PolarHBondContact O-N 2.92Å; Y362-M366 VanDerWaalsContact O-CB 3.23Å; Y362-M366 WeakPolarHBondContact O-CB 3.36Å; Y362-M366 PolarHBondContact O-N 3.29Å; Y362-V431 HydrophobicContact CD1-CG2 4.46Å; Y362-V431 HydrophobicContact CE1-CG2 3.94Å; Y362-D434 PolarHBondContact OH-OD2 3.42Å
363I82.6Confident79.7Confident52 Ų5257.4 Ų57.427%0.26732%0.321SS..Hα-helixtrans-59.1-50.6177.6-64168.2000110.2G359 I360 F365 M366 L367 V431 F435G359-I363 WeakPolarHBondContact O-CG1 3.48Å; G359-I363 PolarHBondContact O-N 2.96Å; I360-I363 PolarHBondContact O-N 3.3Å; I363-F365 VanDerWaalsContact C-N 3.33Å; I363-F365 PolarHBondContact O-N 3.36Å; I363-M366 PolarHBondContact O-N 3.27Å; I363-L367 HydrophobicContact CG2-CD1 3.8Å; I363-L367 HydrophobicContact CG2-CD2 4.47Å; I363-L367 WeakPolarHBondContact O-CB 3.26Å; I363-L367 VanDerWaalsContact O-CD1 3.23Å; I363-L367 WeakPolarHBondContact O-CD1 3.24Å; I363-L367 PolarHBondContact O-N 2.94Å; I363-V431 HydrophobicContact CD1-CG1 4.44Å; I363-V431 HydrophobicContact CG1-CG1 3.75Å; I363-F435 HydrophobicContact CD1-CE2 3.74Å; I363-F435 HydrophobicContact CD1-CZ 3.72Å; I363-F435 HydrophobicContact CG1-CE2 3.96Å; I363-F435 HydrophobicContact CG1-CZ 3.73Å
364A85.1Confident80.6Confident62 Ų6250.5 Ų50.551%0.51229%0.285SS..Hα-helixtrans-61.4-42.6-178.600000111.8I360 L361 Y362 G368I360-A364 WeakPolarHBondContact O-CB 3.39Å; I360-A364 PolarHBondContact O-N 3.29Å; L361-A364 PolarHBondContact O-N 3.21Å; Y362-A364 PolarHBondContact O-N 2.98Å; A364-G368 WeakPolarHBondContact O-CA 3.49Å; A364-G368 PolarHBondContact O-N 3.08Å
365F84.1Confident81.1Confident66 Ų6650.8 Ų50.829%0.28928%0.277SS..Hα-helixtrans-65.5-44.6176.6-179.8-104000111.9V298 M343 L361 Y362 I363 S369V298-F365 HydrophobicContact CG2-CE1 4.13Å; M343-F365 HydrophobicContact CE-CD2 4.38Å; M343-F365 HydrophobicContact CE-CE1 4.18Å; M343-F365 HydrophobicContact CE-CE2 3.67Å; M343-F365 HydrophobicContact CE-CZ 3.55Å; M343-F365 HydrophobicContact CG-CD1 4.29Å; M343-F365 HydrophobicContact CG-CE1 4.03Å; M343-F365 HydrophobicContact CG-CZ 4.35Å; M343-F365 HydrophobicContact SD-CE1 4.16Å; M343-F365 HydrophobicContact SD-CZ 4.01Å; L361-F365 VanDerWaalsContact O-CB 3.23Å; L361-F365 WeakPolarHBondContact O-CB 3.49Å; L361-F365 PolarHBondContact O-N 3.42Å; Y362-F365 PolarHBondContact O-N 2.92Å; I363-F365 VanDerWaalsContact C-N 3.33Å; I363-F365 PolarHBondContact O-N 3.36Å; F365-S369 WeakPolarHBondContact O-CB 3.46Å; F365-S369 PolarHBondContact O-N 3.47Å; F365-S369 PolarHBondContact O-OG 2.93Å
366M81.8Confident81.6Confident1 Ų150.4 Ų50.41%0.00527%0.274CS..Hα-helixtrans-67-48.8-178.5-171.858.2-175.300111.8I291 Q294 Y362 I363 S369 C370 V431 T443I291-M366 HydrophobicContact CG1-CE 4.25Å; Q294-M366 HydrophobicContact CG-CE 4.46Å; Q294-M366 HydrophobicContact CG-SD 4.11Å; Q294-M366 PolarHBondContact NE2-SD 3.11Å; Y362-M366 VanDerWaalsContact O-CB 3.23Å; Y362-M366 WeakPolarHBondContact O-CB 3.36Å; Y362-M366 PolarHBondContact O-N 3.29Å; I363-M366 PolarHBondContact O-N 3.27Å; M366-S369 PolarHBondContact O-OG 2.82Å; M366-C370 VanDerWaalsContact O-CB 3.28Å; M366-C370 WeakPolarHBondContact O-CB 3.48Å; M366-C370 PolarHBondContact O-N 2.82Å; M366-C370 PolarHBondContact O-SG 3.04Å; M366-V431 HydrophobicContact CB-CG2 3.93Å; M366-V431 HydrophobicContact CG-CG2 3.75Å; M366-T443 HydrophobicContact CE-CG2 4.49Å
367L86.2Confident81.9Confident40 Ų4050.1 Ų50.121%0.20926%0.264CS..Hα-helixtrans-66.5-41.6177.6-84.669.5000111.3I363 A371 L424 V431I363-L367 HydrophobicContact CG2-CD1 3.8Å; I363-L367 HydrophobicContact CG2-CD2 4.47Å; I363-L367 WeakPolarHBondContact O-CB 3.26Å; I363-L367 VanDerWaalsContact O-CD1 3.23Å; I363-L367 WeakPolarHBondContact O-CD1 3.24Å; I363-L367 PolarHBondContact O-N 2.94Å; L367-A371 VanDerWaalsContact O-CB 3.31Å; L367-A371 WeakPolarHBondContact O-CB 3.45Å; L367-A371 PolarHBondContact O-N 2.78Å; L367-L424 HydrophobicContact CD2-CD2 3.96Å; L367-L424 HydrophobicContact CD2-CG 4.19Å; L367-L424 HydrophobicContact CG-CG 4.45Å; L367-V431 HydrophobicContact CD1-CG2 4.07Å
368G86.6Confident81.8Confident41 Ų4145 Ų4542%0.42324%0.237SC..Hα-helixtrans-63.8-48178.900000112.5A364 F372A364-G368 WeakPolarHBondContact O-CA 3.49Å; A364-G368 PolarHBondContact O-N 3.08Å; G368-F372 VanDerWaalsContact O-CB 3.28Å; G368-F372 WeakPolarHBondContact O-CB 3.39Å; G368-F372 PolarHBondContact O-N 3.3Å
369S84.6Confident82.2Confident15 Ų1549.9 Ų49.911%0.10526%0.264CS..Hα-helixtrans-65.7-44.8178.660.30000111.9Q294 F365 M366 A371 F372 F373Q294-S369 WeakPolarHBondContact CG-OG 3.32Å; F365-S369 WeakPolarHBondContact O-CB 3.46Å; F365-S369 PolarHBondContact O-N 3.47Å; F365-S369 PolarHBondContact O-OG 2.93Å; M366-S369 PolarHBondContact O-OG 2.82Å; S369-A371 PolarHBondContact O-N 3.18Å; S369-F372 PolarHBondContact O-N 2.9Å; S369-F373 WeakPolarHBondContact O-CB 3.41Å; S369-F373 WeakPolarHBondContact O-CD2 3.45Å; S369-F373 PolarHBondContact O-N 2.64Å
370C83Confident82.1Confident1 Ų154.3 Ų54.31%0.00729%0.291CS..Hα-helixtrans-62.1-42177-74.90000112.9M366 S374 G423M366-C370 VanDerWaalsContact O-CB 3.28Å; M366-C370 WeakPolarHBondContact O-CB 3.48Å; M366-C370 PolarHBondContact O-N 2.82Å; M366-C370 PolarHBondContact O-SG 3.04Å; C370-S374 VanDerWaalsContact O-CB 3.29Å; C370-S374 WeakPolarHBondContact O-CB 3.23Å; C370-S374 PolarHBondContact O-N 3.5Å; C370-G423 WeakPolarHBondContact CB-O 3.37Å
371A84.3Confident81.5Confident22 Ų2250.9 Ų50.918%0.18228%0.277CS..Hα-helixtrans-67.2-38.5176.400000112.2L367 S369 K375L367-A371 VanDerWaalsContact O-CB 3.31Å; L367-A371 WeakPolarHBondContact O-CB 3.45Å; L367-A371 PolarHBondContact O-N 2.78Å; S369-A371 PolarHBondContact O-N 3.18Å; A371-K375 PolarHBondContact O-N 2.89Å
372F86.5Confident80.9Confident130 Ų13051.8 Ų51.857%0.5728%0.282SS*.Hα-helixtrans-67.8-48.8177.2-177.4-105.2000112G368 S369 S374 K375 I376G368-F372 VanDerWaalsContact O-CB 3.28Å; G368-F372 WeakPolarHBondContact O-CB 3.39Å; G368-F372 PolarHBondContact O-N 3.3Å; S369-F372 PolarHBondContact O-N 2.9Å; F372-S374 VanDerWaalsContact C-N 3.32Å; F372-S374 PolarHBondContact O-N 3.41Å; F372-K375 PolarHBondContact O-N 3.34Å; F372-I376 HydrophobicContact CD1-CD1 3.77Å; F372-I376 HydrophobicContact CE1-CD1 3.23Å; F372-I376 HydrophobicContact CE1-CG1 4.42Å; F372-I376 HydrophobicContact CE2-CD1 4.2Å; F372-I376 HydrophobicContact CG-CD1 4.47Å; F372-I376 HydrophobicContact CZ-CD1 3.48Å; F372-I376 VanDerWaalsContact CZ-CD1 3.48Å; F372-I376 HydrophobicContact CZ-CG1 4.46Å; F372-I376 PolarHBondContact O-N 3Å; F372-I376 VanDerWaalsContact O-N 3.14Å
373F83.5Confident80.5Confident43 Ų4352.8 Ų52.819%0.18929%0.291CS..Hα-helixtrans-64.1-35.8177.2-77.7-56.7000112.4P290 Q294 L297 S369 K375 I376 W377P290-F373 HydrophobicContact CB-CB 4.23Å; Q294-F373 HydrophobicContact CB-CD2 4.17Å; L297-F373 HydrophobicContact CD1-CE2 4.21Å; L297-F373 HydrophobicContact CD1-CZ 3.65Å; S369-F373 WeakPolarHBondContact O-CB 3.41Å; S369-F373 WeakPolarHBondContact O-CD2 3.45Å; S369-F373 PolarHBondContact O-N 2.64Å; F373-K375 VanDerWaalsContact C-N 3.34Å; F373-K375 PolarHBondContact O-N 3.05Å; F373-I376 PolarHBondContact O-N 3.25Å; F373-W377 VanDerWaalsContact O-CB 3.26Å; F373-W377 WeakPolarHBondContact O-CB 3.11Å; F373-W377 PolarHBondContact O-N 3.29Å
374S81.2Confident80.1Confident0 Ų051.3 Ų51.30%029%0.286CS..Hα-helixtrans-62.8-40.1175.5-1750000112.1T286 C370 F372 W377 I378 A419T286-S374 PolarHBondContact OG1-OG 3.43Å; T286-S374 VanDerWaalsContact OG1-OG 3.07Å; C370-S374 VanDerWaalsContact O-CB 3.29Å; C370-S374 WeakPolarHBondContact O-CB 3.23Å; C370-S374 PolarHBondContact O-N 3.5Å; F372-S374 VanDerWaalsContact C-N 3.32Å; F372-S374 PolarHBondContact O-N 3.41Å; S374-W377 PolarHBondContact O-N 3.47Å; S374-I378 WeakPolarHBondContact O-CG1 3.23Å; S374-I378 PolarHBondContact O-N 3.44Å; S374-A419 PolarHBondContact OG-O 2.9Å
375K80.5Confident79.5Confident114 Ų11448.7 Ų48.750%0.49626%0.264SS..Hα-helixtrans-64.1-48.8175.4-73.2-178.1178.3-1780112.5A371 F372 F373 W377 I378A371-K375 PolarHBondContact O-N 2.89Å; F372-K375 PolarHBondContact O-N 3.34Å; F373-K375 VanDerWaalsContact C-N 3.34Å; F373-K375 PolarHBondContact O-N 3.05Å; K375-W377 PolarHBondContact O-N 2.88Å; K375-I378 PolarHBondContact O-N 3.49Å
376I82.4Confident79.1Confident69 Ų6953 Ų5335%0.35428%0.282SS..Hα-helixtrans-60.2-39.5177.8-69.4175.1000110.7F372 F373 I378 D379 V380F372-I376 HydrophobicContact CD1-CD1 3.77Å; F372-I376 HydrophobicContact CE1-CD1 3.23Å; F372-I376 HydrophobicContact CE1-CG1 4.42Å; F372-I376 HydrophobicContact CE2-CD1 4.2Å; F372-I376 HydrophobicContact CG-CD1 4.47Å; F372-I376 HydrophobicContact CZ-CD1 3.48Å; F372-I376 VanDerWaalsContact CZ-CD1 3.48Å; F372-I376 HydrophobicContact CZ-CG1 4.46Å; F372-I376 PolarHBondContact O-N 3Å; F372-I376 VanDerWaalsContact O-N 3.14Å; F373-I376 PolarHBondContact O-N 3.25Å; I376-I378 VanDerWaalsContact C-N 3.32Å; I376-I378 PolarHBondContact O-N 3.18Å; I376-D379 PolarHBondContact O-N 2.99Å; I376-V380 HydrophobicContact CG2-CG2 4.01Å; I376-V380 WeakPolarHBondContact O-CG2 3.28Å; I376-V380 PolarHBondContact O-N 3.45Å
377W80.8Confident78.9Confident67 Ų6755.1 Ų55.125%0.25429%0.294SS..Hα-helixtrans-63.7-36.8-177.7-167.1-97.4000112.8T286 A289 L293 F373 S374 K375 D379 V380 S381T286-W377 HydrophobicContact CG2-CB 4.39Å; A289-W377 HydrophobicContact CB-CD2 3.75Å; A289-W377 HydrophobicContact CB-CE3 4.4Å; A289-W377 HydrophobicContact CB-CG 4.17Å; A289-W377 HydrophobicContact CB-CH2 4.16Å; A289-W377 HydrophobicContact CB-CZ2 3.49Å; A289-W377 VanDerWaalsContact CB-CZ2 3.49Å; L293-W377 HydrophobicContact CD1-CD2 4.41Å; L293-W377 HydrophobicContact CD1-CE3 3.39Å; L293-W377 HydrophobicContact CD1-CZ3 3.52Å; L293-W377 HydrophobicContact CG-CE3 4.49Å; L293-W377 HydrophobicContact CG-CZ3 4.28Å; F373-W377 VanDerWaalsContact O-CB 3.26Å; F373-W377 WeakPolarHBondContact O-CB 3.11Å; F373-W377 PolarHBondContact O-N 3.29Å; S374-W377 PolarHBondContact O-N 3.47Å; K375-W377 PolarHBondContact O-N 2.88Å; W377-D379 VanDerWaalsContact C-N 3.27Å; W377-D379 PolarHBondContact O-N 2.67Å; W377-V380 PolarHBondContact O-N 2.67Å; W377-S381 WeakPolarHBondContact O-CB 3.22Å; W377-S381 PolarHBondContact O-N 3.1Å; W377-S381 PolarHBondContact O-OG 2.93Å
378I78.9Confident78.3Confident7 Ų753.4 Ų53.44%0.03629%0.285CS..Hα-helixtrans-58.8-42.2175.2-62.5161.7000111.4T286 S374 K375 I376 S381 S383 S384 I415 A419T286-I378 HydrophobicContact CG2-CG1 3.66Å; S374-I378 WeakPolarHBondContact O-CG1 3.23Å; S374-I378 PolarHBondContact O-N 3.44Å; K375-I378 PolarHBondContact O-N 3.49Å; I376-I378 VanDerWaalsContact C-N 3.32Å; I376-I378 PolarHBondContact O-N 3.18Å; I378-S381 PolarHBondContact O-OG 2.94Å; I378-S383 WeakPolarHBondContact CG2-O 3.36Å; I378-S383 CarbonylContact O-C 3.44Å; I378-S383 PolarHBondContact O-N 3.25Å; I378-S384 PolarHBondContact O-N 3.16Å; I378-I415 HydrophobicContact CD1-CG2 4.46Å; I378-I415 HydrophobicContact CG2-CG2 4.07Å; I378-A419 HydrophobicContact CD1-CB 3.03Å; I378-A419 HydrophobicContact CG1-CB 3.76Å
379D77.2Confident77.8Confident110 Ų11052.2 Ų52.259%0.58827%0.269SS*.Hα-helixtrans-71.8-38.4-178.5-67.4-25000110.9I376 W377I376-D379 PolarHBondContact O-N 2.99Å; W377-D379 VanDerWaalsContact C-N 3.27Å; W377-D379 PolarHBondContact O-N 2.67Å
380V72.5Confident77.5Confident93 Ų9357.5 Ų57.556%0.56429%0.29SS*.Hα-helixtrans-74.6-34.2178.51750000112.2I376 W377 N382I376-V380 HydrophobicContact CG2-CG2 4.01Å; I376-V380 WeakPolarHBondContact O-CG2 3.28Å; I376-V380 PolarHBondContact O-N 3.45Å; W377-V380 PolarHBondContact O-N 2.67Å; V380-N382 PolarHBondContact O-N 2.91Å
381S68.4Low77.2Confident43 Ų4361.7 Ų61.730%0.30131%0.31SS..THydrogen-bonded Turntrans-80.38.7-176.373.90000113.8W377 I378 S383W377-S381 WeakPolarHBondContact O-CB 3.22Å; W377-S381 PolarHBondContact O-N 3.1Å; W377-S381 PolarHBondContact O-OG 2.93Å; I378-S381 PolarHBondContact O-OG 2.94Å; S381-S383 PolarHBondContact O-N 3.21Å; S381-S383 PolarHBondContact O-OG 2.9Å; S381-S383 VanDerWaalsContact O-OG 3.06Å; S381-S383 WeakPolarHBondContact OG-CB 3.31Å; S381-S383 PolarHBondContact OG-OG 3.12Å
382N69.2Low76.7Confident99 Ų9961 Ų6153%0.52930%0.303SS..THydrogen-bonded Turntrans45.233.6-169-60.7-45000111.8V380 S384 D387V380-N382 PolarHBondContact O-N 2.91Å; N382-S384 VanDerWaalsContact C-N 3.34Å; N382-D387 WeakPolarHBondContact CA-OD2 3.06Å; N382-D387 HydrophobicContact CB-CB 4.31Å; N382-D387 WeakPolarHBondContact O-CB 3.44Å
383S71.7Confident76.2Confident33 Ų3360.3 Ų60.323%0.23130%0.3CS..  trans-105.618.3176.7-500000110.2I378 S381I378-S383 WeakPolarHBondContact CG2-O 3.36Å; I378-S383 CarbonylContact O-C 3.44Å; I378-S383 PolarHBondContact O-N 3.25Å; S381-S383 PolarHBondContact O-N 3.21Å; S381-S383 PolarHBondContact O-OG 2.9Å; S381-S383 VanDerWaalsContact O-OG 3.06Å; S381-S383 WeakPolarHBondContact OG-CB 3.31Å; S381-S383 PolarHBondContact OG-OG 3.12Å
384S73Confident76Confident22 Ų2264.8 Ų64.815%0.15432%0.321CS..SBendtrans-61.2152.2172.183.50000109.5I378 N382 K386 D387 V388I378-S384 PolarHBondContact O-N 3.16Å; N382-S384 VanDerWaalsContact C-N 3.34Å; S384-K386 PolarHBondContact O-N 2.82Å; S384-D387 WeakPolarHBondContact CB-OD2 3.48Å; S384-D387 PolarHBondContact O-N 3.2Å; S384-D387 VanDerWaalsContact OG-CG 3.25Å; S384-D387 PolarHBondContact OG-N 3.18Å; S384-D387 PolarHBondContact OG-OD2 3.49Å; S384-V388 WeakPolarHBondContact O-CG2 3.46Å; S384-V388 PolarHBondContact O-N 2.9Å
385A72.5Confident75.5Confident6 Ų670.9 Ų70.95%0.0535%0.35CS..Hα-helixtrans-53.9-30.1179.800000112.8V389 L411 N412 I415A385-V389 WeakPolarHBondContact O-CB 3.19Å; A385-V389 VanDerWaalsContact O-CG2 3.22Å; A385-V389 WeakPolarHBondContact O-CG2 3.05Å; A385-V389 PolarHBondContact O-N 3.42Å; A385-L411 HydrophobicContact CB-CB 4.02Å; A385-N412 HydrophobicContact CB-CB 3.86Å; A385-I415 HydrophobicContact CB-CD1 4.1Å
386K77.4Confident75.1Confident156 Ų15669.8 Ų69.868%0.67835%0.346SS*.Hα-helixtrans-72.2-43.8177-66.5-179.6-178.6175.30112.1S384 V389 K390 V408S384-K386 PolarHBondContact O-N 2.82Å; K386-V389 PolarHBondContact O-N 3.24Å; K386-K390 PolarHBondContact O-N 3.43Å; K386-V408 HydrophobicContact CG-CG1 4.16Å
387D77.5Confident74.4Confident47 Ų4767.7 Ų67.725%0.25134%0.337SS..Hα-helixtrans-70.8-39.4-179.2-60.1-44.2000111.4N382 S384 V389 K390 Q391N382-D387 WeakPolarHBondContact CA-OD2 3.06Å; N382-D387 HydrophobicContact CB-CB 4.31Å; N382-D387 WeakPolarHBondContact O-CB 3.44Å; S384-D387 WeakPolarHBondContact CB-OD2 3.48Å; S384-D387 PolarHBondContact O-N 3.2Å; S384-D387 VanDerWaalsContact OG-CG 3.25Å; S384-D387 PolarHBondContact OG-N 3.18Å; S384-D387 PolarHBondContact OG-OD2 3.49Å; D387-V389 VanDerWaalsContact C-N 3.34Å; D387-V389 PolarHBondContact O-N 2.91Å; D387-K390 WeakPolarHBondContact O-CB 3.31Å; D387-K390 PolarHBondContact O-N 3.4Å; D387-K390 VanDerWaalsContact O-N 3.15Å; D387-Q391 WeakPolarHBondContact O-CG 3.39Å; D387-Q391 PolarHBondContact O-N 3.27Å
388V73.6Confident73.8Confident3 Ų367.1 Ų67.12%0.01834%0.341CS..Hα-helixtrans-61.5-44.1174.2177.20000110.4Y285 S384 K390 Q391 L392 L411 I415Y285-V388 WeakPolarHBondContact OH-CG2 3.29Å; S384-V388 WeakPolarHBondContact O-CG2 3.46Å; S384-V388 PolarHBondContact O-N 2.9Å; V388-K390 VanDerWaalsContact C-N 3.32Å; V388-K390 PolarHBondContact O-N 3.17Å; V388-Q391 PolarHBondContact O-N 2.99Å; V388-L392 HydrophobicContact CG1-CD1 4.13Å; V388-L392 HydrophobicContact CG1-CG 4.4Å; V388-L392 WeakPolarHBondContact O-CB 3.17Å; V388-L392 VanDerWaalsContact O-CG 3.29Å; V388-L392 WeakPolarHBondContact O-CG 3.29Å; V388-L392 PolarHBondContact O-N 3.01Å; V388-L411 HydrophobicContact CB-CD2 4.2Å; V388-L411 HydrophobicContact CG1-CD2 3.69Å; V388-I415 HydrophobicContact CB-CD1 4.48Å; V388-I415 HydrophobicContact CG2-CD1 4.27Å
389V74.5Confident73.1Confident16 Ų1667.2 Ų67.210%0.09734%0.342CS..Hα-helixtrans-62.9-39.4174.7169.80000111.6A385 K386 D387 L392 K393 M407 V408 L411A385-V389 WeakPolarHBondContact O-CB 3.19Å; A385-V389 VanDerWaalsContact O-CG2 3.22Å; A385-V389 WeakPolarHBondContact O-CG2 3.05Å; A385-V389 PolarHBondContact O-N 3.42Å; K386-V389 PolarHBondContact O-N 3.24Å; D387-V389 VanDerWaalsContact C-N 3.34Å; D387-V389 PolarHBondContact O-N 2.91Å; V389-L392 PolarHBondContact O-N 3.32Å; V389-K393 VanDerWaalsContact O-CB 3.31Å; V389-K393 WeakPolarHBondContact O-CB 3.5Å; V389-K393 PolarHBondContact O-N 3.47Å; V389-M407 HydrophobicContact CG1-SD 4.15Å; V389-M407 HydrophobicContact CG2-CB 4.44Å; V389-M407 HydrophobicContact CG2-CG 3.9Å; V389-M407 HydrophobicContact CG2-SD 4.05Å; V389-V408 HydrophobicContact CB-CG2 4.01Å; V389-V408 HydrophobicContact CG1-CG2 3.85Å; V389-V408 HydrophobicContact CG2-CG2 3.86Å; V389-L411 HydrophobicContact CG2-CD2 3.89Å
390K78Confident72.4Confident127 Ų12764.4 Ų64.455%0.55233%0.329SS*.Hα-helixtrans-62.4-43175.3-171.9-177.4173.2-169.60111.5K386 D387 V388 K393 E394K386-K390 PolarHBondContact O-N 3.43Å; D387-K390 WeakPolarHBondContact O-CB 3.31Å; D387-K390 PolarHBondContact O-N 3.4Å; D387-K390 VanDerWaalsContact O-N 3.15Å; V388-K390 VanDerWaalsContact C-N 3.32Å; V388-K390 PolarHBondContact O-N 3.17Å; K390-K393 WeakPolarHBondContact O-CB 3.42Å; K390-K393 PolarHBondContact O-N 2.89Å; K390-E394 WeakPolarHBondContact CE-OE1 3.41Å; K390-E394 WeakPolarHBondContact O-CG 3.3Å; K390-E394 PolarHBondContact O-N 2.89Å
391Q76.8Confident72Confident88 Ų8864 Ų6441%0.41134%0.344SS..Hα-helixtrans-64.3-44.2175.3-71.1175.112.400112.2D387 V388 K393 E394 Q395D387-Q391 WeakPolarHBondContact O-CG 3.39Å; D387-Q391 PolarHBondContact O-N 3.27Å; V388-Q391 PolarHBondContact O-N 2.99Å; Q391-K393 VanDerWaalsContact C-N 3.27Å; Q391-K393 PolarHBondContact O-N 3.45Å; Q391-E394 PolarHBondContact O-N 2.93Å; Q391-Q395 WeakPolarHBondContact O-CG 3.45Å; Q391-Q395 PolarHBondContact O-N 3.45Å
392L75.4Confident71.8Confident9 Ų965.3 Ų65.35%0.04735%0.345CS..Hα-helixtrans-60.8-39.5175.3-70.2172.7000111.1V388 V389 Q395 Q396 T397 M407 L411V388-L392 HydrophobicContact CG1-CD1 4.13Å; V388-L392 HydrophobicContact CG1-CG 4.4Å; V388-L392 WeakPolarHBondContact O-CB 3.17Å; V388-L392 VanDerWaalsContact O-CG 3.29Å; V388-L392 WeakPolarHBondContact O-CG 3.29Å; V388-L392 PolarHBondContact O-N 3.01Å; V389-L392 PolarHBondContact O-N 3.32Å; L392-Q395 CarbonylContact O-C 3.42Å; L392-Q395 PolarHBondContact O-N 2.92Å; L392-Q396 PolarHBondContact O-N 3.39Å; L392-T397 WeakPolarHBondContact CA-OG1 3.4Å; L392-T397 VanDerWaalsContact CD2-OG1 3.24Å; L392-T397 WeakPolarHBondContact CD2-OG1 3.49Å; L392-T397 PolarHBondContact O-N 3.27Å; L392-T397 PolarHBondContact O-OG1 3.39Å; L392-T397 VanDerWaalsContact O-OG1 3.08Å; L392-M407 HydrophobicContact CD1-SD 4.34Å; L392-L411 HydrophobicContact CD1-CD2 4.29Å
393K75.6Confident71.6Confident115 Ų11570.9 Ų70.950%0.536%0.359SS..Hα-helixtrans-63.4-45174.7-178.4171.2-179.6155.90112.3V389 K390 Q391 Q395 Q396 E404V389-K393 VanDerWaalsContact O-CB 3.31Å; V389-K393 WeakPolarHBondContact O-CB 3.5Å; V389-K393 PolarHBondContact O-N 3.47Å; K390-K393 WeakPolarHBondContact O-CB 3.42Å; K390-K393 PolarHBondContact O-N 2.89Å; Q391-K393 VanDerWaalsContact C-N 3.27Å; Q391-K393 PolarHBondContact O-N 3.45Å; K393-Q395 PolarHBondContact O-N 2.93Å; K393-Q396 PolarHBondContact O-N 2.99Å; K393-E404 WeakPolarHBondContact CE-OE1 3.39Å; K393-E404 VanDerWaalsContact NZ-CD 3.32Å; K393-E404 IonicContact NZ-OE1 3.51Å; K393-E404 PolarHBondContact NZ-OE1 2.92Å; K393-E404 IonicContact NZ-OE2 3.95Å; K393-E404 PolarHBondContact NZ-OE2 3.44Å; K393-E404 VanDerWaalsContact NZ-OE2 3.11Å
394E78.9Confident71.1Confident136 Ų13674.6 Ų74.664%0.63637%0.373SS*.Hα-helixtrans-62-33.7175-73.9172.1-169.500111.8K390 Q391 Q396K390-E394 WeakPolarHBondContact CE-OE1 3.41Å; K390-E394 WeakPolarHBondContact O-CG 3.3Å; K390-E394 PolarHBondContact O-N 2.89Å; Q391-E394 PolarHBondContact O-N 2.93Å; E394-Q396 VanDerWaalsContact C-N 3.27Å; E394-Q396 PolarHBondContact O-N 3.29Å
395Q71.6Confident70.8Confident128 Ų12880.2 Ų80.260%0.59840%0.401SS*.THydrogen-bonded Turntrans-81.10.2173.8-67.31791.200114.1Q391 L392 K393 T397Q391-Q395 WeakPolarHBondContact O-CG 3.45Å; Q391-Q395 PolarHBondContact O-N 3.45Å; L392-Q395 CarbonylContact O-C 3.42Å; L392-Q395 PolarHBondContact O-N 2.92Å; K393-Q395 PolarHBondContact O-N 2.93Å; Q395-T397 HydrophobicContact CB-CG2 4.28Å; Q395-T397 PolarHBondContact O-N 2.91Å
396Q70.4Confident70.7Confident91 Ų9182.6 Ų82.643%0.42542%0.417SS..THydrogen-bonded Turntrans55.435.9-175.6-53.5-171.5-51.900113.8I270 L392 K393 E394I270-Q396 WeakPolarHBondContact CB-O 3.37Å; I270-Q396 WeakPolarHBondContact CG1-O 3.42Å; I270-Q396 PolarHBondContact N-O 2.82Å; L392-Q396 PolarHBondContact O-N 3.39Å; K393-Q396 PolarHBondContact O-N 2.99Å; E394-Q396 VanDerWaalsContact C-N 3.27Å; E394-Q396 PolarHBondContact O-N 3.29Å
397T68.9Low70.3Confident26 Ų2675.5 Ų75.516%0.1639%0.386CS..EExtended strand (participates in β ladder)trans-107.5133.9177.157.30000109.9L392 Q395L392-T397 WeakPolarHBondContact CA-OG1 3.4Å; L392-T397 VanDerWaalsContact CD2-OG1 3.24Å; L392-T397 WeakPolarHBondContact CD2-OG1 3.49Å; L392-T397 PolarHBondContact O-N 3.27Å; L392-T397 PolarHBondContact O-OG1 3.39Å; L392-T397 VanDerWaalsContact O-OG1 3.08Å; Q395-T397 HydrophobicContact CB-CG2 4.28Å; Q395-T397 PolarHBondContact O-N 2.91Å
398V66.9Low70.1Confident54 Ų5475.1 Ų75.133%0.32739%0.385SS..EExtended strand (participates in β ladder)trans-127.7138.4-179.8-68.50000111.3V267 K268 I270 M407V267-V398 WeakPolarHBondContact CG1-O 3.36Å; K268-V398 PolarHBondContact N-O 2.91Å; K268-V398 PolarHBondContact O-N 3.16Å; I270-V398 HydrophobicContact CD1-CB 4.48Å; I270-V398 HydrophobicContact CD1-CG1 3.5Å; I270-V398 HydrophobicContact CD1-CG2 4.24Å; I270-V398 HydrophobicContact CG1-CB 4.41Å; I270-V398 HydrophobicContact CG1-CG1 3.93Å; I270-V398 HydrophobicContact CG1-CG2 3.68Å; V398-M407 HydrophobicContact CB-CE 4.13Å; V398-M407 HydrophobicContact CG1-CE 4.23Å
399V64.8Low70.3Confident9 Ų981.7 Ų81.76%0.05542%0.416CS..  trans-66.2124.5168.8-178.90000108I265 V267 G401 H402 M407I265-V399 HydrophobicContact CG2-CG1 4.3Å; I265-V399 HydrophobicContact CG2-CG2 4.34Å; V267-V399 HydrophobicContact CG2-CG2 4.43Å; V399-G401 PolarHBondContact O-N 3.19Å; V399-H402 PolarHBondContact O-N 3.13Å; V399-M407 HydrophobicContact CB-CE 4.24Å; V399-M407 HydrophobicContact CB-CG 4.32Å; V399-M407 HydrophobicContact CG2-CE 4.25Å; V399-M407 HydrophobicContact CG2-CG 3.81Å; V399-M407 HydrophobicContact CG2-SD 4.04Å
400P63.1Low70.3Confident51 Ų5183.2 Ų83.233%0.33142%0.422SS..THydrogen-bonded Turntrans-60.1128.8-178.525.6-31.7000110.3A266 K268A266-P400 WeakPolarHBondContact O-CD 3.44Å; K268-P400 HydrophobicContact CD-CB 3.96Å; K268-P400 HydrophobicContact CD-CG 4.48Å; K268-P400 HydrophobicContact CG-CB 4.26Å; K268-P400 HydrophobicContact CG-CG 4.35Å
401G64.7Low70.2Confident84 Ų8477.4 Ų77.487%0.86640%0.397SS*.THydrogen-bonded Turntrans92.1-9174.400000115.9V399V399-G401 PolarHBondContact O-N 3.19Å
402H63.9Low70.5Confident72 Ų7277.8 Ų77.833%0.33340%0.402SS..  trans-112.6127.7-177.9-67.8109.1000112.4V399 E410V399-H402 PolarHBondContact O-N 3.13Å; H402-E410 IonicContact CE1-OE1 3.74Å; H402-E410 IonicContact CE1-OE2 2.77Å; H402-E410 PolarHBondContact CE1-OE2 2.95Å; H402-E410 IonicContact CG-OE2 3.57Å; H402-E410 IonicContact ND1-OE2 2.97Å; H402-E410 PolarHBondContact ND1-OE2 2.69Å; H402-E410 IonicContact NE2-OE2 3.11Å
403R63.9Low70.7Confident215 Ų21585.7 Ų85.781%0.81143%0.431SS*.  trans-68.6158.5166-68.4-175.5179179.30.3109.4N405 S406 M407R403-N405 VanDerWaalsContact C-N 3.28Å; R403-N405 PolarHBondContact O-N 3.32Å; R403-N405 VanDerWaalsContact O-N 3.09Å; R403-S406 WeakPolarHBondContact O-CA 3.47Å; R403-S406 WeakPolarHBondContact O-CB 3.22Å; R403-S406 PolarHBondContact O-N 3.04Å; R403-M407 PolarHBondContact O-N 2.74Å
404E61.1Low71Confident112 Ų11284.4 Ų84.452%0.52342%0.424SS..Hα-helixtrans-46.5-46.1-173.4-62.3-170.4160.900113.7K393 S406 M407 V408K393-E404 WeakPolarHBondContact CE-OE1 3.39Å; K393-E404 VanDerWaalsContact NZ-CD 3.32Å; K393-E404 IonicContact NZ-OE1 3.51Å; K393-E404 PolarHBondContact NZ-OE1 2.92Å; K393-E404 IonicContact NZ-OE2 3.95Å; K393-E404 PolarHBondContact NZ-OE2 3.44Å; K393-E404 VanDerWaalsContact NZ-OE2 3.11Å; E404-S406 VanDerWaalsContact C-N 3.34Å; E404-S406 PolarHBondContact O-N 3.48Å; E404-M407 WeakPolarHBondContact O-CB 3.21Å; E404-M407 PolarHBondContact O-N 2.78Å; E404-V408 PolarHBondContact O-N 3.34Å; E404-V408 VanDerWaalsContact O-N 3.16Å
405N67.4Low71Confident140 Ų14078 Ų7875%0.74939%0.394SS*.Hα-helixtrans-65.8-35.5178.3-69.4-17.2000113.2R403 M407 H409R403-N405 VanDerWaalsContact C-N 3.28Å; R403-N405 PolarHBondContact O-N 3.32Å; R403-N405 VanDerWaalsContact O-N 3.09Å; N405-M407 VanDerWaalsContact C-N 3.35Å; N405-H409 PolarHBondContact O-N 3.18Å; N405-H409 VanDerWaalsContact O-N 3.15Å
406S70.5Confident71.5Confident55 Ų5574 Ų7439%0.38538%0.378SS..Hα-helixtrans-71.4-33.2176.4-52.40000111.3R403 E404 H409 E410R403-S406 WeakPolarHBondContact O-CA 3.47Å; R403-S406 WeakPolarHBondContact O-CB 3.22Å; R403-S406 PolarHBondContact O-N 3.04Å; E404-S406 VanDerWaalsContact C-N 3.34Å; E404-S406 PolarHBondContact O-N 3.48Å; S406-H409 PolarHBondContact O-N 3.22Å; S406-E410 WeakPolarHBondContact O-CB 3.31Å; S406-E410 PolarHBondContact O-N 2.92Å
407M68.1Low72.1Confident7 Ų773.1 Ų73.13%0.03438%0.38CS..Hα-helixtrans-64.2-45.2174.9-169-174.8-51.500111.3V389 L392 V398 V399 R403 E404 N405 H409 E410 L411V389-M407 HydrophobicContact CG1-SD 4.15Å; V389-M407 HydrophobicContact CG2-CB 4.44Å; V389-M407 HydrophobicContact CG2-CG 3.9Å; V389-M407 HydrophobicContact CG2-SD 4.05Å; L392-M407 HydrophobicContact CD1-SD 4.34Å; V398-M407 HydrophobicContact CB-CE 4.13Å; V398-M407 HydrophobicContact CG1-CE 4.23Å; V399-M407 HydrophobicContact CB-CE 4.24Å; V399-M407 HydrophobicContact CB-CG 4.32Å; V399-M407 HydrophobicContact CG2-CE 4.25Å; V399-M407 HydrophobicContact CG2-CG 3.81Å; V399-M407 HydrophobicContact CG2-SD 4.04Å; R403-M407 PolarHBondContact O-N 2.74Å; E404-M407 WeakPolarHBondContact O-CB 3.21Å; E404-M407 PolarHBondContact O-N 2.78Å; N405-M407 VanDerWaalsContact C-N 3.35Å; M407-H409 VanDerWaalsContact C-N 3.3Å; M407-H409 PolarHBondContact O-N 3.31Å; M407-E410 PolarHBondContact O-N 2.8Å; M407-L411 HydrophobicContact CG-CD1 3.95Å; M407-L411 WeakPolarHBondContact O-CB 3.36Å; M407-L411 VanDerWaalsContact O-CD1 3.29Å; M407-L411 WeakPolarHBondContact O-CD1 3.33Å; M407-L411 PolarHBondContact O-N 3.34Å
408V72.9Confident72.7Confident39 Ų3972.6 Ų72.624%0.23638%0.378CS..Hα-helixtrans-60.3-42.7174.3178.30000110.6K386 V389 E404 N412K386-V408 HydrophobicContact CG-CG1 4.16Å; V389-V408 HydrophobicContact CB-CG2 4.01Å; V389-V408 HydrophobicContact CG1-CG2 3.85Å; V389-V408 HydrophobicContact CG2-CG2 3.86Å; E404-V408 PolarHBondContact O-N 3.34Å; E404-V408 VanDerWaalsContact O-N 3.16Å; V408-N412 WeakPolarHBondContact O-CB 3.46Å; V408-N412 PolarHBondContact O-N 3.01Å
409H77.9Confident73.3Confident141 Ų14170 Ų7065%0.65336%0.362SS*.Hα-helixtrans-64.5-43.2179.7-170.875.5000112.5N405 S406 M407 N412 R413N405-H409 PolarHBondContact O-N 3.18Å; N405-H409 VanDerWaalsContact O-N 3.15Å; S406-H409 PolarHBondContact O-N 3.22Å; M407-H409 VanDerWaalsContact C-N 3.3Å; M407-H409 PolarHBondContact O-N 3.31Å; H409-N412 PolarHBondContact O-N 3.05Å; H409-R413 PolarHBondContact O-N 2.88Å; H409-R413 VanDerWaalsContact O-N 3.17Å
410E74.9Confident74.2Confident48 Ų4870.6 Ų70.622%0.22437%0.368CS..Hα-helixtrans-66.7-46.6178.3-168.4171.7-152.200111.4H402 S406 M407 N412 R413 Y414H402-E410 IonicContact CE1-OE1 3.74Å; H402-E410 IonicContact CE1-OE2 2.77Å; H402-E410 PolarHBondContact CE1-OE2 2.95Å; H402-E410 IonicContact CG-OE2 3.57Å; H402-E410 IonicContact ND1-OE2 2.97Å; H402-E410 PolarHBondContact ND1-OE2 2.69Å; H402-E410 IonicContact NE2-OE2 3.11Å; S406-E410 WeakPolarHBondContact O-CB 3.31Å; S406-E410 PolarHBondContact O-N 2.92Å; M407-E410 PolarHBondContact O-N 2.8Å; E410-N412 VanDerWaalsContact C-N 3.34Å; E410-N412 PolarHBondContact O-N 3.47Å; E410-R413 WeakPolarHBondContact O-CB 3.22Å; E410-R413 PolarHBondContact O-N 3.16Å; E410-R413 VanDerWaalsContact O-N 3.14Å; E410-Y414 HydrophobicContact CG-CD2 4.13Å; E410-Y414 HydrophobicContact CG-CE2 3.77Å; E410-Y414 WeakPolarHBondContact O-CD2 3.08Å; E410-Y414 PolarHBondContact O-N 2.92Å
411L76.9Confident75.2Confident6 Ų672.8 Ų72.83%0.03138%0.377CS..Hα-helixtrans-65.2-36.9176.8-91.172.2000112.1A385 V388 V389 L392 M407 R413 Y414 I415A385-L411 HydrophobicContact CB-CB 4.02Å; V388-L411 HydrophobicContact CB-CD2 4.2Å; V388-L411 HydrophobicContact CG1-CD2 3.69Å; V389-L411 HydrophobicContact CG2-CD2 3.89Å; L392-L411 HydrophobicContact CD1-CD2 4.29Å; M407-L411 HydrophobicContact CG-CD1 3.95Å; M407-L411 WeakPolarHBondContact O-CB 3.36Å; M407-L411 VanDerWaalsContact O-CD1 3.29Å; M407-L411 WeakPolarHBondContact O-CD1 3.33Å; M407-L411 PolarHBondContact O-N 3.34Å; L411-R413 PolarHBondContact O-N 3.03Å; L411-Y414 PolarHBondContact O-N 3.18Å; L411-I415 HydrophobicContact CB-CD1 3.98Å; L411-I415 HydrophobicContact CD2-CD1 4.09Å; L411-I415 HydrophobicContact CG-CD1 4.18Å; L411-I415 WeakPolarHBondContact O-CB 3.35Å; L411-I415 WeakPolarHBondContact O-CG1 3.42Å; L411-I415 PolarHBondContact O-N 2.96Å
412N82Confident76Confident95 Ų9568.9 Ų68.951%0.50834%0.336SS..Hα-helixtrans-70-17.4177.2-164.236.7000112.9A385 V408 H409 E410 P416A385-N412 HydrophobicContact CB-CB 3.86Å; V408-N412 WeakPolarHBondContact O-CB 3.46Å; V408-N412 PolarHBondContact O-N 3.01Å; H409-N412 PolarHBondContact O-N 3.05Å; E410-N412 VanDerWaalsContact C-N 3.34Å; E410-N412 PolarHBondContact O-N 3.47Å; N412-P416 WeakPolarHBondContact O-CD 3.46Å; N412-P416 WeakPolarHBondContact O-CG 3.34Å
413R81.2Confident76.9Confident175 Ų17565.5 Ų65.566%0.6632%0.32SS*.Hα-helixtrans-78.5-38.5170.7-173.6177175.2-176.3-2.4111.7H409 E410 L411 T417H409-R413 PolarHBondContact O-N 2.88Å; H409-R413 VanDerWaalsContact O-N 3.17Å; E410-R413 WeakPolarHBondContact O-CB 3.22Å; E410-R413 PolarHBondContact O-N 3.16Å; E410-R413 VanDerWaalsContact O-N 3.14Å; L411-R413 PolarHBondContact O-N 3.03Å; R413-T417 VanDerWaalsContact O-CG2 3.27Å; R413-T417 WeakPolarHBondContact O-CG2 3.26Å; R413-T417 PolarHBondContact O-OG1 3.33Å
414Y81Confident78Confident89 Ų8958.7 Ų58.735%0.34930%0.3SS..Hα-helixtrans-89.3-40.7-175.4-68.3-66.8000114.2I265 E410 L411 T417 A418I265-Y414 HydrophobicContact CD1-CD2 4.16Å; E410-Y414 HydrophobicContact CG-CD2 4.13Å; E410-Y414 HydrophobicContact CG-CE2 3.77Å; E410-Y414 WeakPolarHBondContact O-CD2 3.08Å; E410-Y414 PolarHBondContact O-N 2.92Å; L411-Y414 PolarHBondContact O-N 3.18Å; Y414-T417 PolarHBondContact O-OG1 3.41Å; Y414-A418 WeakPolarHBondContact O-CB 3.28Å; Y414-A418 PolarHBondContact O-N 2.7Å
415I79.9Confident79Confident1 Ų155 Ų551%0.00529%0.286CS..Hα-helixtrans-67.9-52-172.1-66.8169.8000112.3I281 Y285 I378 A385 V388 L411 T417 A418 A419I281-I415 HydrophobicContact CD1-CG1 4.22Å; Y285-I415 HydrophobicContact CD1-CG2 3.99Å; Y285-I415 HydrophobicContact CE1-CG2 3.66Å; I378-I415 HydrophobicContact CD1-CG2 4.46Å; I378-I415 HydrophobicContact CG2-CG2 4.07Å; A385-I415 HydrophobicContact CB-CD1 4.1Å; V388-I415 HydrophobicContact CB-CD1 4.48Å; V388-I415 HydrophobicContact CG2-CD1 4.27Å; L411-I415 HydrophobicContact CB-CD1 3.98Å; L411-I415 HydrophobicContact CD2-CD1 4.09Å; L411-I415 HydrophobicContact CG-CD1 4.18Å; L411-I415 WeakPolarHBondContact O-CB 3.35Å; L411-I415 WeakPolarHBondContact O-CG1 3.42Å; L411-I415 PolarHBondContact O-N 2.96Å; I415-T417 VanDerWaalsContact C-N 3.32Å; I415-T417 PolarHBondContact O-N 3.39Å; I415-A418 PolarHBondContact O-N 3.18Å; I415-A419 WeakPolarHBondContact O-CB 3.25Å; I415-A419 PolarHBondContact O-N 3.17Å
416P80.8Confident79.7Confident43 Ų4348.9 Ų48.928%0.27925%0.253SS..Hα-helixtrans-67.7-32.2-179.5-2034.2000112.9N412 A420N412-P416 WeakPolarHBondContact O-CD 3.46Å; N412-P416 WeakPolarHBondContact O-CG 3.34Å; P416-A420 VanDerWaalsContact O-CB 3.22Å; P416-A420 WeakPolarHBondContact O-CB 3.41Å; P416-A420 PolarHBondContact O-N 3.41Å
417T82.7Confident80.3Confident74 Ų7446.2 Ų46.245%0.45424%0.235SC..Hα-helixtrans-72.7-45.1176.653.70000111.1R413 Y414 I415 A419 A420 L421R413-T417 VanDerWaalsContact O-CG2 3.27Å; R413-T417 WeakPolarHBondContact O-CG2 3.26Å; R413-T417 PolarHBondContact O-OG1 3.33Å; Y414-T417 PolarHBondContact O-OG1 3.41Å; I415-T417 VanDerWaalsContact C-N 3.32Å; I415-T417 PolarHBondContact O-N 3.39Å; T417-A419 VanDerWaalsContact C-N 3.33Å; T417-A419 PolarHBondContact O-N 2.86Å; T417-A420 PolarHBondContact O-N 3.38Å; T417-L421 VanDerWaalsContact O-CB 3.25Å; T417-L421 WeakPolarHBondContact O-CB 3.38Å; T417-L421 VanDerWaalsContact O-CG 3.31Å; T417-L421 WeakPolarHBondContact O-CG 3.32Å; T417-L421 PolarHBondContact O-N 2.9Å
418A81.9Confident81.1Confident14 Ų1447.4 Ų47.412%0.11625%0.245CC..Hα-helixtrans-60.5-42.5174.800000111.5I281 L283 Y414 I415 G422I281-A418 HydrophobicContact CG2-CB 4.39Å; L283-A418 VanDerWaalsContact O-O 3.09Å; Y414-A418 WeakPolarHBondContact O-CB 3.28Å; Y414-A418 PolarHBondContact O-N 2.7Å; I415-A418 PolarHBondContact O-N 3.18Å; A418-G422 WeakPolarHBondContact O-CA 3.34Å; A418-G422 PolarHBondContact O-N 2.54Å
419A80.7Confident81.6Confident0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-70.5-44.3178.300000113.1T286 S374 I378 I415 T417 L421 G422 G423T286-A419 HydrophobicContact CG2-CB 4.3Å; S374-A419 PolarHBondContact OG-O 2.9Å; I378-A419 HydrophobicContact CD1-CB 3.03Å; I378-A419 HydrophobicContact CG1-CB 3.76Å; I415-A419 WeakPolarHBondContact O-CB 3.25Å; I415-A419 PolarHBondContact O-N 3.17Å; T417-A419 VanDerWaalsContact C-N 3.33Å; T417-A419 PolarHBondContact O-N 2.86Å; A419-L421 PolarHBondContact O-N 3.43Å; A419-G422 PolarHBondContact O-N 2.89Å; A419-G423 PolarHBondContact O-N 3.39Å
420A83Confident81.7Confident22 Ų2239.4 Ų39.418%0.18221%0.206CC..Hα-helixtrans-63.3-43.317700000112P416 T417 L424P416-A420 VanDerWaalsContact O-CB 3.22Å; P416-A420 WeakPolarHBondContact O-CB 3.41Å; P416-A420 PolarHBondContact O-N 3.41Å; T417-A420 PolarHBondContact O-N 3.38Å; A420-L424 WeakPolarHBondContact O-CB 3.34Å; A420-L424 PolarHBondContact O-N 3.49Å
421L84.1Confident82Confident97 Ų9737.4 Ų37.451%0.50820%0.197SC..Hα-helixtrans-66.5-42.9174.4-73.5170.2000111.4L283 T417 A419 L424 C425L283-L421 HydrophobicContact CD1-CB 4.45Å; T417-L421 VanDerWaalsContact O-CB 3.25Å; T417-L421 WeakPolarHBondContact O-CB 3.38Å; T417-L421 VanDerWaalsContact O-CG 3.31Å; T417-L421 WeakPolarHBondContact O-CG 3.32Å; T417-L421 PolarHBondContact O-N 2.9Å; A419-L421 PolarHBondContact O-N 3.43Å; L421-L424 PolarHBondContact O-N 2.93Å; L421-C425 WeakPolarHBondContact O-CB 3.11Å; L421-C425 PolarHBondContact O-N 2.95Å; L421-C425 PolarHBondContact O-SG 3.15Å
422G81.7Confident82.2Confident1 Ų141.7 Ų41.71%0.0122%0.22CC..Hα-helixtrans-58.7-4817600000111.9L283 A418 A419 C425 I426L283-G422 WeakPolarHBondContact O-CA 3.22Å; A418-G422 WeakPolarHBondContact O-CA 3.34Å; A418-G422 PolarHBondContact O-N 2.54Å; A419-G422 PolarHBondContact O-N 2.89Å; G422-C425 PolarHBondContact O-N 3.35Å; G422-I426 WeakPolarHBondContact O-CB 3.44Å; G422-I426 WeakPolarHBondContact O-CG1 3.43Å; G422-I426 PolarHBondContact O-N 3.49Å
423G82.7Confident82Confident1 Ų137.1 Ų37.11%0.0120%0.195CC..Hα-helixtrans-62.7-40.8175.800000113C370 A419 G427C370-G423 WeakPolarHBondContact CB-O 3.37Å; A419-G423 PolarHBondContact O-N 3.39Å; G423-G427 PolarHBondContact O-N 3.15Å
424L86Confident81.7Confident73 Ų7329.9 Ų29.938%0.38217%0.169SC..Hα-helixtrans-66.4-46.7176.1-167.1162.5000111.3L367 A420 L421 I426 G427 A428L367-L424 HydrophobicContact CD2-CD2 3.96Å; L367-L424 HydrophobicContact CD2-CG 4.19Å; L367-L424 HydrophobicContact CG-CG 4.45Å; A420-L424 WeakPolarHBondContact O-CB 3.34Å; A420-L424 PolarHBondContact O-N 3.49Å; L421-L424 PolarHBondContact O-N 2.93Å; L424-I426 VanDerWaalsContact C-N 3.35Å; L424-I426 PolarHBondContact O-N 3.27Å; L424-G427 PolarHBondContact O-N 2.66Å; L424-A428 WeakPolarHBondContact O-CB 3.22Å; L424-A428 PolarHBondContact O-N 3.4Å
425C83.8Confident81.4Confident35 Ų3526.7 Ų26.724%0.23616%0.157CC..Hα-helixtrans-60.5-42.7176.6-72.30000111.7F284 L421 G422 A428 L429F284-C425 HydrophobicContact CE1-CB 4.32Å; L421-C425 WeakPolarHBondContact O-CB 3.11Å; L421-C425 PolarHBondContact O-N 2.95Å; L421-C425 PolarHBondContact O-SG 3.15Å; G422-C425 PolarHBondContact O-N 3.35Å; C425-A428 PolarHBondContact O-N 3.08Å; C425-L429 WeakPolarHBondContact O-CB 3.43Å; C425-L429 VanDerWaalsContact O-CG 3.24Å; C425-L429 WeakPolarHBondContact O-CG 3.3Å; C425-L429 PolarHBondContact O-N 2.9Å
426I81.2Confident81.1Confident10 Ų1029.6 Ų29.65%0.05117%0.173CC..Hα-helixtrans-61-47.1174.5-71.2169.4000110.6F284 I291 G422 L424 A428 L429 S430F284-I426 HydrophobicContact CD1-CD1 3.48Å; F284-I426 VanDerWaalsContact CD1-CD1 3.48Å; F284-I426 HydrophobicContact CD1-CG1 3.51Å; F284-I426 HydrophobicContact CE1-CD1 3.9Å; F284-I426 HydrophobicContact CE1-CG1 3.34Å; F284-I426 HydrophobicContact CG-CD1 4.2Å; F284-I426 HydrophobicContact CG-CG1 4.47Å; F284-I426 HydrophobicContact CZ-CG1 4.14Å; I291-I426 HydrophobicContact CB-CG2 4.08Å; I291-I426 HydrophobicContact CD1-CG2 3.23Å; I291-I426 HydrophobicContact CG1-CG2 3.68Å; G422-I426 WeakPolarHBondContact O-CB 3.44Å; G422-I426 WeakPolarHBondContact O-CG1 3.43Å; G422-I426 PolarHBondContact O-N 3.49Å; L424-I426 VanDerWaalsContact C-N 3.35Å; L424-I426 PolarHBondContact O-N 3.27Å; I426-A428 PolarHBondContact O-N 3.42Å; I426-L429 PolarHBondContact O-N 3.08Å; I426-S430 PolarHBondContact O-N 3.36Å
427G82.6Confident80.5Confident0 Ų028.7 Ų28.70%017%0.171CC..Hα-helixtrans-60.2-44.7177.400000112.4G423 L424 S430 V431G423-G427 PolarHBondContact O-N 3.15Å; L424-G427 PolarHBondContact O-N 2.66Å; G427-S430 PolarHBondContact O-N 3.35Å; G427-V431 VanDerWaalsContact O-CG2 3.28Å; G427-V431 WeakPolarHBondContact O-CG2 3.01Å; G427-V431 PolarHBondContact O-N 3.36Å
428A85.1Confident79.7Confident31 Ų3125.7 Ų25.726%0.25615%0.154SC..Hα-helixtrans-64.3-41.2176.800000112.5L424 C425 I426 V431 L432L424-A428 WeakPolarHBondContact O-CB 3.22Å; L424-A428 PolarHBondContact O-N 3.4Å; C425-A428 PolarHBondContact O-N 3.08Å; I426-A428 PolarHBondContact O-N 3.42Å; A428-V431 PolarHBondContact O-N 3.18Å; A428-L432 WeakPolarHBondContact O-CB 3.23Å; A428-L432 VanDerWaalsContact O-CG 3.29Å; A428-L432 WeakPolarHBondContact O-CG 3.16Å; A428-L432 PolarHBondContact O-N 3.5Å
429L83.9Confident78.9Confident12 Ų1225.9 Ų25.96%0.06315%0.153CC..Hα-helixtrans-65.4-38.6176.1-74.2168.2000112V254 V255 F258 F284 C425 I426 L432 A433 L446V254-L429 HydrophobicContact CG1-CD2 3.58Å; V255-L429 HydrophobicContact CG2-CD1 4.33Å; F258-L429 HydrophobicContact CB-CD1 4.4Å; F258-L429 HydrophobicContact CD2-CD1 3.96Å; F258-L429 HydrophobicContact CD2-CD2 4.08Å; F258-L429 HydrophobicContact CE2-CD2 4.19Å; F258-L429 HydrophobicContact CG-CD1 4.4Å; F284-L429 HydrophobicContact CZ-CD1 4.43Å; C425-L429 WeakPolarHBondContact O-CB 3.43Å; C425-L429 VanDerWaalsContact O-CG 3.24Å; C425-L429 WeakPolarHBondContact O-CG 3.3Å; C425-L429 PolarHBondContact O-N 2.9Å; I426-L429 PolarHBondContact O-N 3.08Å; L429-L432 PolarHBondContact O-N 3.3Å; L429-A433 WeakPolarHBondContact O-CB 3.48Å; L429-A433 PolarHBondContact O-N 3.27Å; L429-L446 HydrophobicContact CB-CD1 4.4Å; L429-L446 HydrophobicContact CB-CD2 4.23Å
430S79.8Confident77.9Confident0 Ų027 Ų270%016%0.164CC..Hα-helixtrans-62.3-48.5175.6-169.40000110.9I426 G427 L432 A433 D434 T443I426-S430 PolarHBondContact O-N 3.36Å; G427-S430 PolarHBondContact O-N 3.35Å; S430-L432 VanDerWaalsContact C-N 3.35Å; S430-L432 PolarHBondContact O-N 2.78Å; S430-A433 WeakPolarHBondContact O-CB 3.41Å; S430-A433 PolarHBondContact O-N 3.15Å; S430-A433 VanDerWaalsContact O-N 3.15Å; S430-D434 PolarHBondContact O-N 3.29Å; S430-T443 VanDerWaalsContact OG-CG2 3.22Å; S430-T443 WeakPolarHBondContact OG-CG2 3.3Å
431V81.1Confident77.2Confident6 Ų627.2 Ų27.24%0.03616%0.164CC..Hα-helixtrans-58.9-45.3177.3164.30000111.4Y362 I363 M366 L367 G427 A428 A433 D434 F435Y362-V431 HydrophobicContact CD1-CG2 4.46Å; Y362-V431 HydrophobicContact CE1-CG2 3.94Å; I363-V431 HydrophobicContact CD1-CG1 4.44Å; I363-V431 HydrophobicContact CG1-CG1 3.75Å; M366-V431 HydrophobicContact CB-CG2 3.93Å; M366-V431 HydrophobicContact CG-CG2 3.75Å; L367-V431 HydrophobicContact CD1-CG2 4.07Å; G427-V431 VanDerWaalsContact O-CG2 3.28Å; G427-V431 WeakPolarHBondContact O-CG2 3.01Å; G427-V431 PolarHBondContact O-N 3.36Å; A428-V431 PolarHBondContact O-N 3.18Å; V431-A433 VanDerWaalsContact C-N 3.31Å; V431-A433 PolarHBondContact O-N 2.97Å; V431-D434 PolarHBondContact O-N 2.99Å; V431-F435 HydrophobicContact CG1-CD2 3.63Å; V431-F435 HydrophobicContact CG1-CE2 3.1Å; V431-F435 HydrophobicContact CG1-CZ 3.69Å; V431-F435 WeakPolarHBondContact O-CB 3.05Å; V431-F435 VanDerWaalsContact O-CD2 3.23Å; V431-F435 WeakPolarHBondContact O-CD2 3.34Å; V431-F435 VanDerWaalsContact O-CG 3.25Å; V431-F435 WeakPolarHBondContact O-CG 3.37Å; V431-F435 PolarHBondContact O-N 3.37Å
432L80.8Confident76.4Confident96 Ų9622.7 Ų22.750%0.50314%0.141SC..Hα-helixtrans-62.7-39.4176.4-74.4172.1000111.9A428 L429 S430 F435 L436A428-L432 WeakPolarHBondContact O-CB 3.23Å; A428-L432 VanDerWaalsContact O-CG 3.29Å; A428-L432 WeakPolarHBondContact O-CG 3.16Å; A428-L432 PolarHBondContact O-N 3.5Å; L429-L432 PolarHBondContact O-N 3.3Å; S430-L432 VanDerWaalsContact C-N 3.35Å; S430-L432 PolarHBondContact O-N 2.78Å; L432-F435 PolarHBondContact O-N 3.29Å; L432-L436 WeakPolarHBondContact O-CB 3.44Å; L432-L436 WeakPolarHBondContact O-CG 3.29Å; L432-L436 PolarHBondContact O-N 3.04Å
433A78.7Confident76.1Confident0 Ų023.5 Ų23.50%015%0.145CC..Hα-helixtrans-67.8-40.1177.800000112.2V251 L429 S430 V431 G437 A438 G442V251-A433 HydrophobicContact CB-CB 4.48Å; V251-A433 HydrophobicContact CG1-CB 3.75Å; V251-A433 HydrophobicContact CG2-CB 3.93Å; L429-A433 WeakPolarHBondContact O-CB 3.48Å; L429-A433 PolarHBondContact O-N 3.27Å; S430-A433 WeakPolarHBondContact O-CB 3.41Å; S430-A433 PolarHBondContact O-N 3.15Å; S430-A433 VanDerWaalsContact O-N 3.15Å; V431-A433 VanDerWaalsContact C-N 3.31Å; V431-A433 PolarHBondContact O-N 2.97Å; A433-G437 PolarHBondContact O-N 2.99Å; A433-A438 HydrophobicContact CB-CB 4.4Å; A433-A438 WeakPolarHBondContact O-CB 3.5Å; A433-A438 PolarHBondContact O-N 2.77Å; A433-A438 VanDerWaalsContact O-N 3.11Å; A433-G442 VanDerWaalsContact CB-CA 3.5Å
434D75.3Confident75.7Confident22 Ų2223.5 Ų23.512%0.11815%0.146CC..Hα-helixtrans-63.6-46.2174.9-62.8-24.8000110.1P345 Y362 S430 V431 L436 G437 G442P345-D434 HydrophobicContact CB-CB 4.37Å; Y362-D434 PolarHBondContact OH-OD2 3.42Å; S430-D434 PolarHBondContact O-N 3.29Å; V431-D434 PolarHBondContact O-N 2.99Å; D434-L436 PolarHBondContact O-N 3.29Å; D434-G437 PolarHBondContact O-N 2.95Å; D434-G437 VanDerWaalsContact O-N 3.11Å; D434-G442 WeakPolarHBondContact OD1-CA 3.43Å; D434-G442 PolarHBondContact OD1-N 3.45Å
435F73.9Confident75.3Confident22 Ų2220.2 Ų20.210%0.09613%0.128CC..Hα-helixtrans-64.9-38.7178.1-69.2-32.8000113.9P346 L349 M352 I363 V431 L432 G437P346-F435 HydrophobicContact CG-CD1 4.08Å; P346-F435 HydrophobicContact CG-CE1 3.58Å; L349-F435 HydrophobicContact CD2-CB 3.97Å; L349-F435 HydrophobicContact CD2-CG 4.41Å; L349-F435 HydrophobicContact CG-CB 4.43Å; L349-F435 WeakPolarHBondContact CG-O 3.19Å; M352-F435 HydrophobicContact SD-CD1 4.35Å; M352-F435 HydrophobicContact SD-CE1 3.74Å; M352-F435 HydrophobicContact SD-CE2 4.15Å; M352-F435 HydrophobicContact SD-CZ 3.63Å; I363-F435 HydrophobicContact CD1-CE2 3.74Å; I363-F435 HydrophobicContact CD1-CZ 3.72Å; I363-F435 HydrophobicContact CG1-CE2 3.96Å; I363-F435 HydrophobicContact CG1-CZ 3.73Å; V431-F435 HydrophobicContact CG1-CD2 3.63Å; V431-F435 HydrophobicContact CG1-CE2 3.1Å; V431-F435 HydrophobicContact CG1-CZ 3.69Å; V431-F435 WeakPolarHBondContact O-CB 3.05Å; V431-F435 VanDerWaalsContact O-CD2 3.23Å; V431-F435 WeakPolarHBondContact O-CD2 3.34Å; V431-F435 VanDerWaalsContact O-CG 3.25Å; V431-F435 WeakPolarHBondContact O-CG 3.37Å; V431-F435 PolarHBondContact O-N 3.37Å; L432-F435 PolarHBondContact O-N 3.29Å; F435-G437 PolarHBondContact O-N 3.46Å; F435-G437 VanDerWaalsContact O-N 3.15Å
436L73.2Confident75.1Confident63 Ų6318.8 Ų18.833%0.3312%0.119SC..THydrogen-bonded Turntrans-70.8-4.4177.7-70.5168.8000112.8A247 L250 V251 L432 D434 A438A247-L436 HydrophobicContact CB-CB 3.83Å; L250-L436 HydrophobicContact CD2-CD1 4.49Å; V251-L436 HydrophobicContact CG2-CD1 3.94Å; L432-L436 WeakPolarHBondContact O-CB 3.44Å; L432-L436 WeakPolarHBondContact O-CG 3.29Å; L432-L436 PolarHBondContact O-N 3.04Å; D434-L436 PolarHBondContact O-N 3.29Å; L436-A438 VanDerWaalsContact C-N 3.33Å
437G68.2Low75Confident23 Ų2319.1 Ų19.124%0.23712%0.12CC..THydrogen-bonded Turntrans68.433.2-178.200000112.4N244 A433 D434 F435 I439N244-G437 VanDerWaalsContact CB-O 3.24Å; N244-G437 WeakPolarHBondContact CB-O 3.34Å; N244-G437 PolarHBondContact ND2-O 3.23Å; A433-G437 PolarHBondContact O-N 2.99Å; D434-G437 PolarHBondContact O-N 2.95Å; D434-G437 VanDerWaalsContact O-N 3.11Å; F435-G437 PolarHBondContact O-N 3.46Å; F435-G437 VanDerWaalsContact O-N 3.15Å; G437-I439 PolarHBondContact O-N 2.74Å
438A67.1Low75Confident12 Ų1219.3 Ų19.310%0.09912%0.122CC..  trans-60.3132.5-178.800000110.9A433 L436 G440 I445A433-A438 HydrophobicContact CB-CB 4.4Å; A433-A438 WeakPolarHBondContact O-CB 3.5Å; A433-A438 PolarHBondContact O-N 2.77Å; A433-A438 VanDerWaalsContact O-N 3.11Å; L436-A438 VanDerWaalsContact C-N 3.33Å; A438-G440 PolarHBondContact O-N 2.68Å; A438-I445 HydrophobicContact CB-CD1 3.69Å
439I63.7Low74.9Confident18 Ų1818 Ų189%0.09211%0.111CC..THydrogen-bonded Turntrans-67.3120.9-179.5-54.3-178.8000109.2R194 P240 N244 I245 T248 G437 I445R194-I439 HydrophobicContact CB-CG2 3.35Å; R194-I439 HydrophobicContact CG-CG2 3.72Å; P240-I439 HydrophobicContact CB-CD1 4.01Å; N244-I439 HydrophobicContact CB-CD1 3.96Å; N244-I439 HydrophobicContact CB-CG1 3.53Å; I245-I439 HydrophobicContact CG1-CD1 3.62Å; T248-I439 PolarHBondContact OG1-N 3.23Å; G437-I439 PolarHBondContact O-N 2.74Å; I439-I445 WeakPolarHBondContact O-CD1 3.09Å
440G59.2Low74.7Confident22 Ų2217.7 Ų17.723%0.22711%0.109CC..THydrogen-bonded Turntrans108.918.1172.400000117.1A438A438-G440 PolarHBondContact O-N 2.68Å
441S68.8Low74.7Confident28 Ų2818 Ų1820%0.19611%0.111CC..  trans65.8129.8-172.8-175.50000112.3T443 G444 I445S441-T443 PolarHBondContact O-N 2.84Å; S441-T443 PolarHBondContact OG-OG1 3.43Å; S441-G444 PolarHBondContact O-N 2.63Å; S441-I445 PolarHBondContact O-N 3.34Å; S441-I445 VanDerWaalsContact O-N 3.12Å
442G68.2Low74.9Confident1 Ų121.6 Ų21.61%0.0113%0.129CC..Hα-helixtrans-56.1-38.3179.100000112.5A433 D434 L446A433-G442 VanDerWaalsContact CB-CA 3.5Å; D434-G442 WeakPolarHBondContact OD1-CA 3.43Å; D434-G442 PolarHBondContact OD1-N 3.45Å; G442-L446 WeakPolarHBondContact O-CD1 3.38Å; G442-L446 WeakPolarHBondContact O-CG 3.47Å; G442-L446 PolarHBondContact O-N 3.26Å
443T73.8Confident75Confident18 Ų1819.3 Ų19.311%0.1111%0.114CC..Hα-helixtrans-64.2-39.5175.654.30000113.3I291 M366 S430 S441 M447I291-T443 HydrophobicContact CD1-CG2 4.3Å; M366-T443 HydrophobicContact CE-CG2 4.49Å; S430-T443 VanDerWaalsContact OG-CG2 3.22Å; S430-T443 WeakPolarHBondContact OG-CG2 3.3Å; S441-T443 PolarHBondContact O-N 2.84Å; S441-T443 PolarHBondContact OG-OG1 3.43Å; T443-M447 WeakPolarHBondContact O-CG 3.23Å; T443-M447 PolarHBondContact O-N 2.94Å; T443-M447 VanDerWaalsContact O-N 3.12Å
444G74.5Confident74.9Confident2 Ų222.3 Ų22.32%0.02113%0.128CC..Hα-helixtrans-67.6-49.5179.800000111.3I187 S441 L446 M447 A448I187-G444 WeakPolarHBondContact CD1-O 3.21Å; S441-G444 PolarHBondContact O-N 2.63Å; G444-L446 VanDerWaalsContact C-N 3.29Å; G444-L446 PolarHBondContact O-N 3.41Å; G444-M447 WeakPolarHBondContact O-CB 3.35Å; G444-M447 PolarHBondContact O-N 3.41Å; G444-M447 VanDerWaalsContact O-N 3.14Å; G444-A448 PolarHBondContact O-N 3.09Å
445I78.2Confident75.1Confident3 Ų323.1 Ų23.12%0.01513%0.13CC..Hα-helixtrans-56-47.7178-62.1159.6000110.2I191 T248 A438 I439 S441 M447 A448 V449I191-I445 HydrophobicContact CD1-CG1 4.15Å; T248-I445 HydrophobicContact CG2-CD1 3.97Å; T248-I445 HydrophobicContact CG2-CG1 4.48Å; A438-I445 HydrophobicContact CB-CD1 3.69Å; I439-I445 WeakPolarHBondContact O-CD1 3.09Å; S441-I445 PolarHBondContact O-N 3.34Å; S441-I445 VanDerWaalsContact O-N 3.12Å; I445-M447 PolarHBondContact O-N 2.91Å; I445-A448 PolarHBondContact O-N 2.97Å; I445-V449 HydrophobicContact CG2-CG2 4.13Å; I445-V449 WeakPolarHBondContact O-CG2 3.44Å; I445-V449 PolarHBondContact O-N 3.4Å
446L79.6Confident75.6Confident6 Ų628.7 Ų28.73%0.03115%0.151CC..Hα-helixtrans-56.1-47.9177.6-79.3166.3000112V255 I291 L429 G442 G444 A448 V449 T450V255-L446 HydrophobicContact CB-CD2 4.27Å; V255-L446 HydrophobicContact CG1-CD2 3.79Å; V255-L446 HydrophobicContact CG2-CD2 3.37Å; V255-L446 HydrophobicContact CG2-CG 4.41Å; I291-L446 HydrophobicContact CD1-CB 4.47Å; I291-L446 HydrophobicContact CD1-CD1 3.69Å; L429-L446 HydrophobicContact CB-CD1 4.4Å; L429-L446 HydrophobicContact CB-CD2 4.23Å; G442-L446 WeakPolarHBondContact O-CD1 3.38Å; G442-L446 WeakPolarHBondContact O-CG 3.47Å; G442-L446 PolarHBondContact O-N 3.26Å; G444-L446 VanDerWaalsContact C-N 3.29Å; G444-L446 PolarHBondContact O-N 3.41Å; L446-A448 VanDerWaalsContact C-N 3.34Å; L446-A448 PolarHBondContact O-N 3.07Å; L446-V449 PolarHBondContact O-N 3.38Å; L446-T450 WeakPolarHBondContact O-CB 3.42Å; L446-T450 VanDerWaalsContact O-CG2 3.22Å; L446-T450 WeakPolarHBondContact O-CG2 3.28Å; L446-T450 PolarHBondContact O-N 3.02Å; L446-T450 VanDerWaalsContact O-N 3.08Å; L446-T450 PolarHBondContact O-OG1 3.24Å
447M78.9Confident75.8Confident16 Ų1627.7 Ų27.78%0.07915%0.145CC..Hα-helixtrans-61.3-39.6178-71.3-95.9-6800112.5I183 I187 N288 I291 M292 T443 G444 I445 T450 T451I183-M447 HydrophobicContact CG2-CE 4.16Å; I187-M447 HydrophobicContact CD1-CB 4.44Å; N288-M447 HydrophobicContact CB-SD 3.71Å; I291-M447 HydrophobicContact CG2-CG 3.94Å; I291-M447 HydrophobicContact CG2-SD 3.86Å; M292-M447 HydrophobicContact CB-CE 4.4Å; M292-M447 HydrophobicContact CB-SD 4.18Å; M292-M447 HydrophobicContact CE-CE 3.53Å; M292-M447 HydrophobicContact CE-SD 4.12Å; M292-M447 HydrophobicContact CG-CE 4.26Å; T443-M447 WeakPolarHBondContact O-CG 3.23Å; T443-M447 PolarHBondContact O-N 2.94Å; T443-M447 VanDerWaalsContact O-N 3.12Å; G444-M447 WeakPolarHBondContact O-CB 3.35Å; G444-M447 PolarHBondContact O-N 3.41Å; G444-M447 VanDerWaalsContact O-N 3.14Å; I445-M447 PolarHBondContact O-N 2.91Å; M447-T450 WeakPolarHBondContact CA-OG1 3.3Å; M447-T450 PolarHBondContact O-OG1 2.66Å; M447-T451 VanDerWaalsContact O-CB 3.28Å; M447-T451 WeakPolarHBondContact O-CB 3.13Å; M447-T451 PolarHBondContact O-N 2.89Å; M447-T451 VanDerWaalsContact O-N 3.11Å; M447-T451 PolarHBondContact O-OG1 3.16Å
448A82.1Confident76.2Confident4 Ų429.2 Ų29.23%0.03315%0.149CC..Hα-helixtrans-67.8-49.9178.100000111.6A184 I187 G444 I445 L446 T450 T451 I452A184-A448 HydrophobicContact CB-CB 4.48Å; I187-A448 HydrophobicContact CB-CB 4.18Å; I187-A448 HydrophobicContact CD1-CB 4.42Å; I187-A448 HydrophobicContact CG2-CB 3.87Å; G444-A448 PolarHBondContact O-N 3.09Å; I445-A448 PolarHBondContact O-N 2.97Å; L446-A448 VanDerWaalsContact C-N 3.34Å; L446-A448 PolarHBondContact O-N 3.07Å; A448-T450 VanDerWaalsContact C-N 3.31Å; A448-T450 PolarHBondContact O-N 3.35Å; A448-T451 PolarHBondContact O-N 2.92Å; A448-I452 VanDerWaalsContact O-CG1 3.27Å; A448-I452 WeakPolarHBondContact O-CG1 3.32Å; A448-I452 PolarHBondContact O-N 2.76Å
449V83.4Confident76.7Confident4 Ų432.5 Ų32.52%0.02416%0.161CC..Hα-helixtrans-57.9-48.2-179.6-177.60000110.8F252 V255 I256 I445 L446 T451 I452 Y453F252-V449 HydrophobicContact CD2-CB 4.47Å; F252-V449 HydrophobicContact CD2-CG2 3.27Å; F252-V449 HydrophobicContact CE2-CB 4.29Å; F252-V449 HydrophobicContact CE2-CG1 4.27Å; F252-V449 HydrophobicContact CE2-CG2 3.43Å; F252-V449 VanDerWaalsContact CE2-CG2 3.43Å; F252-V449 HydrophobicContact CG-CG2 4.3Å; V255-V449 HydrophobicContact CB-CG1 4.4Å; V255-V449 HydrophobicContact CG1-CB 3.92Å; V255-V449 HydrophobicContact CG1-CG1 3.71Å; V255-V449 HydrophobicContact CG1-CG2 4.27Å; I256-V449 HydrophobicContact CG1-CG1 3.74Å; I445-V449 HydrophobicContact CG2-CG2 4.13Å; I445-V449 WeakPolarHBondContact O-CG2 3.44Å; I445-V449 PolarHBondContact O-N 3.4Å; L446-V449 PolarHBondContact O-N 3.38Å; V449-T451 PolarHBondContact O-N 3.25Å; V449-I452 PolarHBondContact O-N 2.81Å; V449-Y453 WeakPolarHBondContact O-CB 3.43Å; V449-Y453 PolarHBondContact O-N 3.26Å
450T79.5Confident77.5Confident5 Ų534.5 Ų34.53%0.03117%0.174CC..Hα-helixtrans-66.9-38.5-175.646.80000112.5N288 L446 M447 A448 Y453 Q454N288-T450 WeakPolarHBondContact ND2-CB 3.28Å; N288-T450 PolarHBondContact ND2-OG1 3.27Å; N288-T450 WeakPolarHBondContact OD1-CB 3.49Å; N288-T450 VanDerWaalsContact OD1-CG2 3.24Å; N288-T450 WeakPolarHBondContact OD1-CG2 3.34Å; N288-T450 PolarHBondContact OD1-OG1 3.07Å; L446-T450 WeakPolarHBondContact O-CB 3.42Å; L446-T450 VanDerWaalsContact O-CG2 3.22Å; L446-T450 WeakPolarHBondContact O-CG2 3.28Å; L446-T450 PolarHBondContact O-N 3.02Å; L446-T450 VanDerWaalsContact O-N 3.08Å; L446-T450 PolarHBondContact O-OG1 3.24Å; M447-T450 WeakPolarHBondContact CA-OG1 3.3Å; M447-T450 PolarHBondContact O-OG1 2.66Å; A448-T450 VanDerWaalsContact C-N 3.31Å; A448-T450 PolarHBondContact O-N 3.35Å; T450-Y453 PolarHBondContact O-N 3.19Å; T450-Q454 VanDerWaalsContact O-CG 3.31Å; T450-Q454 WeakPolarHBondContact O-CG 3.37Å; T450-Q454 PolarHBondContact O-N 3.27Å
451T80.5Confident78.4Confident6 Ų639.2 Ų39.24%0.03719%0.185CC..Hα-helixtrans-62.7-48.9172.8-61.30000110.8A184 M447 A448 V449 Y453 Q454 Y455A184-T451 HydrophobicContact CB-CG2 4.02Å; M447-T451 VanDerWaalsContact O-CB 3.28Å; M447-T451 WeakPolarHBondContact O-CB 3.13Å; M447-T451 PolarHBondContact O-N 2.89Å; M447-T451 VanDerWaalsContact O-N 3.11Å; M447-T451 PolarHBondContact O-OG1 3.16Å; A448-T451 PolarHBondContact O-N 2.92Å; V449-T451 PolarHBondContact O-N 3.25Å; T451-Y453 VanDerWaalsContact C-N 3.27Å; T451-Y453 PolarHBondContact O-N 2.91Å; T451-Q454 WeakPolarHBondContact O-CB 3.27Å; T451-Q454 PolarHBondContact O-N 3.02Å; T451-Q454 VanDerWaalsContact O-N 3.13Å; T451-Y455 HydrophobicContact CG2-CD2 3.79Å; T451-Y455 HydrophobicContact CG2-CE2 3.56Å; T451-Y455 WeakPolarHBondContact O-CD2 3.35Å; T451-Y455 PolarHBondContact O-N 3.04Å
452I85.1Confident78.7Confident82 Ų8240 Ų4042%0.42119%0.186SC..Hα-helixtrans-58.8-41.9177.9-67.9166.2000110.6A448 V449 Y455 Y456A448-I452 VanDerWaalsContact O-CG1 3.27Å; A448-I452 WeakPolarHBondContact O-CG1 3.32Å; A448-I452 PolarHBondContact O-N 2.76Å; V449-I452 PolarHBondContact O-N 2.81Å; I452-Y455 PolarHBondContact O-N 3.36Å; I452-Y456 WeakPolarHBondContact O-CB 3.44Å; I452-Y456 PolarHBondContact O-N 3.26Å
453Y82.3Confident78.9Confident49 Ų4945.3 Ų45.319%0.19221%0.21CC..Hα-helixtrans-65.8-37.8177.5-170.7-89.7000112.8Q259 V449 T450 T451 Y456 E457Q259-Y453 VanDerWaalsContact CD-CB 3.41Å; Q259-Y453 VanDerWaalsContact CD-CD1 3.47Å; Q259-Y453 HydrophobicContact CG-CD1 3.6Å; Q259-Y453 HydrophobicContact CG-CD2 4.19Å; Q259-Y453 HydrophobicContact CG-CE1 3.84Å; Q259-Y453 HydrophobicContact CG-CE2 4.39Å; Q259-Y453 HydrophobicContact CG-CG 3.79Å; Q259-Y453 VanDerWaalsContact OE1-CB 3.24Å; V449-Y453 WeakPolarHBondContact O-CB 3.43Å; V449-Y453 PolarHBondContact O-N 3.26Å; T450-Y453 PolarHBondContact O-N 3.19Å; T451-Y453 VanDerWaalsContact C-N 3.27Å; T451-Y453 PolarHBondContact O-N 2.91Å; Y453-Y456 PolarHBondContact O-N 2.94Å; Y453-E457 PolarHBondContact O-N 2.84Å
454Q78Confident78.9Confident62 Ų6248 Ų4829%0.2923%0.23SC..Hα-helixtrans-61.2-45.6173.3-74.8172.5-1400111S287 T450 T451 Y456 E457 V458S287-Q454 PolarHBondContact OG-NE2 3.38Å; T450-Q454 VanDerWaalsContact O-CG 3.31Å; T450-Q454 WeakPolarHBondContact O-CG 3.37Å; T450-Q454 PolarHBondContact O-N 3.27Å; T451-Q454 WeakPolarHBondContact O-CB 3.27Å; T451-Q454 PolarHBondContact O-N 3.02Å; T451-Q454 VanDerWaalsContact O-N 3.13Å; Q454-Y456 PolarHBondContact O-N 3.48Å; Q454-E457 PolarHBondContact O-N 3.01Å; Q454-V458 WeakPolarHBondContact O-CG2 3.32Å; Q454-V458 PolarHBondContact O-N 3.5Å
455Y79.6Confident78.7Confident39 Ų3954.8 Ų54.815%0.15326%0.261CS..Hα-helixtrans-62.3-41.6174.5-81-73.9000112.5L175 S177 S180 L181 T451 I452 E457 V458 F459L175-Y455 HydrophobicContact CB-CD1 3.94Å; L175-Y455 HydrophobicContact CB-CE1 4.01Å; S177-Y455 PolarHBondContact N-OH 3.24Å; S177-Y455 PolarHBondContact O-OH 2.93Å; S180-Y455 PolarHBondContact OG-OH 3.39Å; L181-Y455 HydrophobicContact CB-CE2 4.45Å; L181-Y455 HydrophobicContact CD1-CD2 4.46Å; L181-Y455 HydrophobicContact CD1-CE1 4.46Å; L181-Y455 HydrophobicContact CD1-CE2 3.89Å; T451-Y455 HydrophobicContact CG2-CD2 3.79Å; T451-Y455 HydrophobicContact CG2-CE2 3.56Å; T451-Y455 WeakPolarHBondContact O-CD2 3.35Å; T451-Y455 PolarHBondContact O-N 3.04Å; I452-Y455 PolarHBondContact O-N 3.36Å; Y455-E457 VanDerWaalsContact C-N 3.33Å; Y455-E457 PolarHBondContact O-N 3.29Å; Y455-V458 PolarHBondContact O-N 3.41Å; Y455-F459 VanDerWaalsContact O-CB 3.3Å; Y455-F459 WeakPolarHBondContact O-CB 3.39Å; Y455-F459 PolarHBondContact O-N 3.26Å
456Y83.2Confident77.9Confident140 Ų14059.8 Ų59.855%0.54929%0.286SS..Hα-helixtrans-61.1-41.3175.7174.8-99.8000111.9I452 Y453 Q454 F459 V460I452-Y456 WeakPolarHBondContact O-CB 3.44Å; I452-Y456 PolarHBondContact O-N 3.26Å; Y453-Y456 PolarHBondContact O-N 2.94Å; Q454-Y456 PolarHBondContact O-N 3.48Å; Y456-F459 WeakPolarHBondContact O-CB 3.1Å; Y456-F459 PolarHBondContact O-N 3.08Å; Y456-V460 HydrophobicContact CD1-CG2 4.29Å; Y456-V460 HydrophobicContact CD2-CG2 4.31Å; Y456-V460 HydrophobicContact CE1-CG2 3.79Å; Y456-V460 HydrophobicContact CE2-CG2 3.82Å; Y456-V460 WeakPolarHBondContact O-CG2 3.25Å; Y456-V460 PolarHBondContact O-N 3.19Å
457E78.4Confident76.8Confident42 Ų4261.5 Ų61.520%0.19631%0.305CS..Hα-helixtrans-66.8-41.8177.2-171.6-174.6-152.100112.1K282 Y453 Q454 Y455 F459 V460 R461K282-E457 VanDerWaalsContact CE-OE1 3.27Å; K282-E457 WeakPolarHBondContact CE-OE1 3.18Å; K282-E457 WeakPolarHBondContact CE-OE2 3.45Å; K282-E457 IonicContact NZ-OE1 3.62Å; K282-E457 PolarHBondContact NZ-OE1 3.34Å; K282-E457 IonicContact NZ-OE2 2.89Å; K282-E457 PolarHBondContact NZ-OE2 2.78Å; Y453-E457 PolarHBondContact O-N 2.84Å; Q454-E457 PolarHBondContact O-N 3.01Å; Y455-E457 VanDerWaalsContact C-N 3.33Å; Y455-E457 PolarHBondContact O-N 3.29Å; E457-F459 VanDerWaalsContact C-N 3.3Å; E457-F459 PolarHBondContact O-N 2.84Å; E457-V460 PolarHBondContact O-N 2.95Å; E457-R461 VanDerWaalsContact CD-NH2 3.32Å; E457-R461 HydrophobicContact CG-CG 4.4Å; E457-R461 WeakPolarHBondContact O-CB 3.31Å; E457-R461 VanDerWaalsContact O-CG 3.26Å; E457-R461 WeakPolarHBondContact O-CG 3.17Å; E457-R461 PolarHBondContact O-N 2.99Å; E457-R461 IonicContact OE1-CZ 2.67Å; E457-R461 IonicContact OE1-NE 2.67Å; E457-R461 PolarHBondContact OE1-NE 3.5Å; E457-R461 IonicContact OE1-NH2 3.68Å; E457-R461 PolarHBondContact OE1-NH2 3.03Å; E457-R461 IonicContact OE2-NH2 3.68Å
458V76Confident75.4Confident54 Ų5462.4 Ų62.433%0.32732%0.318SS..Hα-helixtrans-60.1-44.5173.7174.30000110.1Q454 Y455 V460 R461 E462Q454-V458 WeakPolarHBondContact O-CG2 3.32Å; Q454-V458 PolarHBondContact O-N 3.5Å; Y455-V458 PolarHBondContact O-N 3.41Å; V458-V460 PolarHBondContact O-N 3.26Å; V458-R461 PolarHBondContact O-N 3.4Å; V458-E462 HydrophobicContact CG1-CG 4.4Å; V458-E462 WeakPolarHBondContact O-CG 3.37Å; V458-E462 PolarHBondContact O-N 2.9Å
459F78.7Confident73.4Confident81 Ų8165.5 Ų65.536%0.35534%0.339SS..Hα-helixtrans-56-50.6175.6-176.5-74.9000111.8F28 Y455 Y456 E457 Q463F28-F459 AromaticContact CE1-CD2 3.71Å; F28-F459 HydrophobicContact CE1-CD2 3.71Å; F28-F459 AromaticContact CE1-CE2 3.32Å; F28-F459 HydrophobicContact CE1-CE2 3.32Å; F28-F459 AromaticContact CE1-CZ 3.95Å; F28-F459 HydrophobicContact CE1-CZ 3.95Å; F28-F459 HydrophobicContact CE2-CD2 4.25Å; F28-F459 HydrophobicContact CZ-CB 4.38Å; F28-F459 AromaticContact CZ-CD2 3.18Å; F28-F459 HydrophobicContact CZ-CD2 3.18Å; F28-F459 AromaticContact CZ-CE2 3.36Å; F28-F459 HydrophobicContact CZ-CE2 3.36Å; F28-F459 AromaticContact CZ-CG 3.85Å; F28-F459 HydrophobicContact CZ-CG 3.85Å; F28-F459 HydrophobicContact CZ-CZ 4.22Å; Y455-F459 VanDerWaalsContact O-CB 3.3Å; Y455-F459 WeakPolarHBondContact O-CB 3.39Å; Y455-F459 PolarHBondContact O-N 3.26Å; Y456-F459 WeakPolarHBondContact O-CB 3.1Å; Y456-F459 PolarHBondContact O-N 3.08Å; E457-F459 VanDerWaalsContact C-N 3.3Å; E457-F459 PolarHBondContact O-N 2.84Å; F459-Q463 VanDerWaalsContact CE1-OE1 3.23Å; F459-Q463 VanDerWaalsContact O-CB 3.29Å; F459-Q463 WeakPolarHBondContact O-CB 3.21Å; F459-Q463 PolarHBondContact O-N 3.21Å
460V79.6Confident71.1Confident60 Ų6072 Ų7236%0.36437%0.371SS..Hα-helixtrans-66.6-39.7-179.2171.50000111.5Y456 E457 V458 Q463 S464Y456-V460 HydrophobicContact CD1-CG2 4.29Å; Y456-V460 HydrophobicContact CD2-CG2 4.31Å; Y456-V460 HydrophobicContact CE1-CG2 3.79Å; Y456-V460 HydrophobicContact CE2-CG2 3.82Å; Y456-V460 WeakPolarHBondContact O-CG2 3.25Å; Y456-V460 PolarHBondContact O-N 3.19Å; E457-V460 PolarHBondContact O-N 2.95Å; V458-V460 PolarHBondContact O-N 3.26Å; V460-Q463 PolarHBondContact O-N 3.19Å; V460-S464 WeakPolarHBondContact O-CB 3.17Å; V460-S464 PolarHBondContact O-N 2.85Å; V460-S464 PolarHBondContact O-OG 3.47Å
461R77.7Confident69.2Low121 Ų12175.5 Ų75.546%0.45740%0.396SS..Hα-helixtrans-63.4-50.3176.8-74.3177.1-176.1-164.24.3111E457 V458 Q463 S464 E465E457-R461 VanDerWaalsContact CD-NH2 3.32Å; E457-R461 HydrophobicContact CG-CG 4.4Å; E457-R461 WeakPolarHBondContact O-CB 3.31Å; E457-R461 VanDerWaalsContact O-CG 3.26Å; E457-R461 WeakPolarHBondContact O-CG 3.17Å; E457-R461 PolarHBondContact O-N 2.99Å; E457-R461 IonicContact OE1-CZ 2.67Å; E457-R461 IonicContact OE1-NE 2.67Å; E457-R461 PolarHBondContact OE1-NE 3.5Å; E457-R461 IonicContact OE1-NH2 3.68Å; E457-R461 PolarHBondContact OE1-NH2 3.03Å; E457-R461 IonicContact OE2-NH2 3.68Å; V458-R461 PolarHBondContact O-N 3.4Å; R461-Q463 VanDerWaalsContact C-N 3.33Å; R461-Q463 PolarHBondContact O-N 3.45Å; R461-S464 PolarHBondContact O-N 3.08Å; R461-S464 VanDerWaalsContact O-N 3.14Å; R461-S464 PolarHBondContact O-OG 3.41Å; R461-E465 WeakPolarHBondContact O-CG 3.35Å; R461-E465 PolarHBondContact O-N 2.79Å
462E74.5Confident67.2Low44 Ų4478.9 Ų78.921%0.20642%0.42CS..Hα-helixtrans-63.8-38.5178.3-69.3-165.7147.100111.8F28 R31 V458 S464 E465 M466F28-E462 HydrophobicContact CD2-CB 4.01Å; F28-E462 WeakPolarHBondContact CD2-OE2 3.36Å; F28-E462 HydrophobicContact CE2-CB 4.19Å; F28-E462 VanDerWaalsContact CE2-OE2 3.27Å; F28-E462 WeakPolarHBondContact CE2-OE2 3.47Å; R31-E462 IonicContact CZ-OE1 2.92Å; R31-E462 IonicContact NH1-OE1 3.65Å; R31-E462 PolarHBondContact NH1-OE1 3.44Å; R31-E462 IonicContact NH1-OE2 3.49Å; V458-E462 HydrophobicContact CG1-CG 4.4Å; V458-E462 WeakPolarHBondContact O-CG 3.37Å; V458-E462 PolarHBondContact O-N 2.9Å; E462-S464 VanDerWaalsContact C-N 3.33Å; E462-S464 PolarHBondContact O-N 2.84Å; E462-E465 PolarHBondContact O-N 3.14Å; E462-M466 WeakPolarHBondContact O-CG 3.49Å; E462-M466 PolarHBondContact O-N 3.17Å
463Q73.7Confident65.1Low113 Ų11381.5 Ų81.553%0.52843%0.434SS..Hα-helixtrans-64.7-36.9174.5-171.2178.9-700112.1F459 V460 R461 M466 G467F459-Q463 VanDerWaalsContact CE1-OE1 3.23Å; F459-Q463 VanDerWaalsContact O-CB 3.29Å; F459-Q463 WeakPolarHBondContact O-CB 3.21Å; F459-Q463 PolarHBondContact O-N 3.21Å; V460-Q463 PolarHBondContact O-N 3.19Å; R461-Q463 VanDerWaalsContact C-N 3.33Å; R461-Q463 PolarHBondContact O-N 3.45Å; Q463-M466 PolarHBondContact O-N 3.29Å; Q463-G467 PolarHBondContact O-N 3.34Å
464S73.9Confident63Low75 Ų7590.1 Ų90.152%0.52447%0.467SS..Hα-helixtrans-67.2-36.317674.60000112.4V460 R461 E462 G467 G468V460-S464 WeakPolarHBondContact O-CB 3.17Å; V460-S464 PolarHBondContact O-N 2.85Å; V460-S464 PolarHBondContact O-OG 3.47Å; R461-S464 PolarHBondContact O-N 3.08Å; R461-S464 VanDerWaalsContact O-N 3.14Å; R461-S464 PolarHBondContact O-OG 3.41Å; E462-S464 VanDerWaalsContact C-N 3.33Å; E462-S464 PolarHBondContact O-N 2.84Å; S464-G467 PolarHBondContact O-N 2.83Å; S464-G468 PolarHBondContact O-N 3.29Å
465E70.5Confident60.9Low144 Ų14497.4 Ų97.467%0.67351%0.506SS*.Hα-helixtrans-67.6-41174.2-69.4178.6-176.900111.4R461 E462 S469R461-E465 WeakPolarHBondContact O-CG 3.35Å; R461-E465 PolarHBondContact O-N 2.79Å; E462-E465 PolarHBondContact O-N 3.14Å; E465-S469 PolarHBondContact O-N 2.88Å
466M61.3Low60Low109 Ų109100.3 Ų100.354%0.53752%0.524SS..Hα-helixtrans-68.9-38.8174.7-68.4-176.178.500112.5F28 E462 Q463 S469F28-M466 HydrophobicContact CB-CE 4.42Å; F28-M466 HydrophobicContact CB-SD 3.62Å; F28-M466 HydrophobicContact CG-SD 4.36Å; E462-M466 WeakPolarHBondContact O-CG 3.49Å; E462-M466 PolarHBondContact O-N 3.17Å; Q463-M466 PolarHBondContact O-N 3.29Å; M466-S469 WeakPolarHBondContact O-CB 3.46Å; M466-S469 PolarHBondContact O-N 3.4Å
467G56.4Low58.8Low42 Ų4298.2 Ų98.243%0.43352%0.522SS..Hα-helixtrans-68.4-36.4176.700000112.8Q463 S464 S469 M470 S471Q463-G467 PolarHBondContact O-N 3.34Å; S464-G467 PolarHBondContact O-N 2.83Å; G467-S469 VanDerWaalsContact C-N 3.27Å; G467-S469 PolarHBondContact O-N 3.49Å; G467-M470 PolarHBondContact O-N 2.94Å; G467-S471 PolarHBondContact O-N 3.31Å
468G49.1Very low57.7Low34 Ų34101.3 Ų101.335%0.35154%0.541SS..Hα-helixtrans-60.5-36.8172.800000112.6S464 M470 S471 S472S464-G468 PolarHBondContact O-N 3.29Å; G468-M470 PolarHBondContact O-N 3.07Å; G468-S471 PolarHBondContact O-N 3.01Å; G468-S471 PolarHBondContact O-OG 3.13Å; G468-S472 PolarHBondContact O-N 3.48Å
469S40Very low56.6Low69 Ų69104.1 Ų104.148%0.48355%0.553SS.*Hα-helixtrans-66.2-22.9174.9-174.70000113.6E465 M466 G467 S472E465-S469 PolarHBondContact O-N 2.88Å; M466-S469 WeakPolarHBondContact O-CB 3.46Å; M466-S469 PolarHBondContact O-N 3.4Å; G467-S469 VanDerWaalsContact C-N 3.27Å; G467-S469 PolarHBondContact O-N 3.49Å; S469-S472 PolarHBondContact O-OG 3.39Å
470M34.9Very low55.2Low140 Ų140105.6 Ų105.669%0.6957%0.565SS**Hα-helixtrans-84.8-28.9176.1-153.3-178.1-75.700111.4G467 G468G467-M470 PolarHBondContact O-N 2.94Å; G468-M470 PolarHBondContact O-N 3.07Å
471S39.4Very low53.6Low80 Ų80108.6 Ų108.656%0.55958%0.579SS**Hα-helixtrans-73.3-25.1172.164.20000114G467 G468 L473G467-S471 PolarHBondContact O-N 3.31Å; G468-S471 PolarHBondContact O-N 3.01Å; G468-S471 PolarHBondContact O-OG 3.13Å; S471-L473 VanDerWaalsContact C-N 3.34Å
472S40Very low51.9Low76 Ų76107.7 Ų107.753%0.53159%0.588SS.*THydrogen-bonded Turntrans-85.6-1.7179640000114.5G468 S469G468-S472 PolarHBondContact O-N 3.48Å; S469-S472 PolarHBondContact O-OG 3.39Å
473L39.4Very low50.1Low137 Ų137112.6 Ų112.672%0.71762%0.617SS**THydrogen-bonded Turntrans-98-5176.2-90.2160.8000113S471S471-L473 VanDerWaalsContact C-N 3.34Å
474W38.5Very low48.2Very low231 Ų231112.6 Ų112.688%0.87562%0.624SS**  trans-118.711.4-179-74.699.7000113.9
475L34.8Very low45.8Very low214 Ų214116 Ų116100%1.1263%0.634SS**  trans-124.10167-85.9162.5000107.8

Retrieved 475 of 475 residues in 331.3 ms (Link to these results)

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