A0A087XRB1_POEFO Loading...

DnaJ homolog subfamily C member 21

AlphaFold DB , UniProt , Accession A0A087XRB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 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
1M36.2Very low74.9Confident242 Ų24280.8 Ų80.8100%1.19241%0.406SS*.  0158.80-72.2174.9171.100109
2K45.7Very low76.3Confident183 Ų18376.8 Ų76.880%0.79639%0.389SS*.  trans-82.8126.5174.1-155.5171.8-169.9176.10109.2R4K2-R4 PolarHBondContact O-N 3.11Å; K2-R4 VanDerWaalsContact O-N 3.12Å
3M59Low77.4Confident87 Ų8783.8 Ų83.843%0.42942%0.415SS..  trans-58.3114.8173.7-85.3-69-167.700109.2
4R68.9Low77.9Confident137 Ų13786.6 Ų86.652%0.51742%0.418SS..  trans-79.5138.1172.2-67.5-172.3-72.1179.92.5108.4K2 V9K2-R4 PolarHBondContact O-N 3.11Å; K2-R4 VanDerWaalsContact O-N 3.12Å; R4-V9 HydrophobicContact CB-CG2 3.88Å
5C83.2Confident78.5Confident0 Ų090.7 Ų90.70%044%0.444CS..  trans-65.9145.4-177.8-174.80000111.3Y7 E8 V9 Y67 R71 L75C5-Y7 PolarHBondContact O-N 3.4Å; C5-E8 HydrophobicContact CB-CB 4.05Å; C5-E8 HydrophobicContact CB-CG 3.79Å; C5-E8 WeakPolarHBondContact CB-OE1 3.42Å; C5-E8 WeakPolarHBondContact CB-OE2 3.38Å; C5-E8 PolarHBondContact N-OE2 3.1Å; C5-E8 CarbonylContact O-C 3.51Å; C5-E8 WeakPolarHBondContact O-CA 3.45Å; C5-E8 WeakPolarHBondContact O-CB 3.17Å; C5-E8 PolarHBondContact O-N 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.16Å; C5-V9 PolarHBondContact O-N 2.81Å; C5-Y67 WeakPolarHBondContact CA-OH 3.33Å; C5-Y67 PolarHBondContact SG-OH 3.48Å; C5-R71 PolarHBondContact SG-NE 3.33Å; C5-L75 HydrophobicContact CB-CD1 4.39Å; C5-L75 HydrophobicContact CB-CD2 4.19Å
6H85.7Confident79.2Confident24 Ų2485.8 Ų85.811%0.11142%0.422CS..Hα-helixtrans-58.2-36.9176.7-62.1-32.8000112.6E8 V9 L10 A54 L58 Y67H6-E8 PolarHBondContact O-N 2.9Å; H6-V9 PolarHBondContact O-N 3.31Å; H6-L10 PolarHBondContact O-N 3.4Å; H6-A54 HydrophobicContact CB-CB 3.7Å; H6-L58 HydrophobicContact CB-CD1 3.6Å; H6-L58 HydrophobicContact CB-CD2 4.45Å; H6-L58 HydrophobicContact CB-CG 3.89Å; H6-Y67 HydrophobicContact CB-CE1 4.1Å; H6-Y67 AromaticContact CD2-CD2 3.54Å; H6-Y67 AromaticContact CD2-CE1 3.87Å; H6-Y67 AromaticContact CD2-CE2 3.2Å; H6-Y67 WeakPolarHBondContact CD2-CE2 3.44Å; H6-Y67 AromaticContact CD2-CZ 3.38Å; H6-Y67 AromaticContact CG-CZ 3.81Å; H6-Y67 PolarHBondContact N-OH 3.43Å; H6-Y67 VanDerWaalsContact N-OH 3.08Å; H6-Y67 AromaticContact NE2-CD2 3.88Å; H6-Y67 AromaticContact NE2-CE2 3.49Å; H6-Y67 WeakPolarHBondContact NE2-CE2 3.49Å
7Y89.5Confident79.9Confident7 Ų783.1 Ų83.13%0.02742%0.421CS..Hα-helixtrans-64.3-36.4172.2-63.4-77.5000112.7C5 G11 V12 R14 L58 R64 Y67 D68C5-Y7 PolarHBondContact O-N 3.4Å; Y7-G11 PolarHBondContact O-N 3.48Å; Y7-V12 HydrophobicContact CD1-CG2 3.88Å; Y7-V12 PolarHBondContact O-N 2.95Å; Y7-R14 WeakPolarHBondContact CE1-O 3.37Å; Y7-L58 HydrophobicContact CD1-CD1 3.79Å; Y7-L58 HydrophobicContact CD1-CD2 4.45Å; Y7-L58 HydrophobicContact CD2-CD1 4.41Å; Y7-L58 HydrophobicContact CD2-CD2 4.34Å; Y7-L58 HydrophobicContact CE1-CD1 3.97Å; Y7-L58 HydrophobicContact CE1-CD2 3.9Å; Y7-L58 HydrophobicContact CE2-CD2 3.77Å; Y7-L58 HydrophobicContact CG-CD1 4.03Å; Y7-R64 PolarHBondContact OH-NE 3.04Å; Y7-Y67 HydrophobicContact CD2-CE1 4.23Å; Y7-Y67 HydrophobicContact CE2-CD1 4.29Å; Y7-Y67 HydrophobicContact CE2-CE1 4.2Å; Y7-D68 VanDerWaalsContact CE2-OD1 3.29Å; Y7-D68 WeakPolarHBondContact CE2-OD1 3.49Å; Y7-D68 PolarHBondContact OH-OD1 2.87Å; Y7-D68 PolarHBondContact OH-OD2 3.17Å
8E89.4Confident80.5Confident111 Ų11182.6 Ų82.652%0.51942%0.42SS..Hα-helixtrans-72.2-39176.5-68.4151.2-149.500111.5C5 H6 L10 G11 R71C5-E8 HydrophobicContact CB-CB 4.05Å; C5-E8 HydrophobicContact CB-CG 3.79Å; C5-E8 WeakPolarHBondContact CB-OE1 3.42Å; C5-E8 WeakPolarHBondContact CB-OE2 3.38Å; C5-E8 PolarHBondContact N-OE2 3.1Å; C5-E8 CarbonylContact O-C 3.51Å; C5-E8 WeakPolarHBondContact O-CA 3.45Å; C5-E8 WeakPolarHBondContact O-CB 3.17Å; C5-E8 PolarHBondContact O-N 3.22Å; H6-E8 PolarHBondContact O-N 2.9Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-G11 PolarHBondContact O-N 3.23Å; E8-G11 VanDerWaalsContact O-N 3.14Å; E8-R71 IonicContact OE1-NH2 3.71Å; E8-R71 PolarHBondContact OE1-NH2 3.29Å
9V88.4Confident81.1Confident26 Ų2683.1 Ų83.116%0.15842%0.423CS..Hα-helixtrans-64-38.6175.3171.50000111.3R4 C5 H6 L50 I51 A54R4-V9 HydrophobicContact CB-CG2 3.88Å; C5-V9 WeakPolarHBondContact O-CG2 3.16Å; C5-V9 PolarHBondContact O-N 2.81Å; H6-V9 PolarHBondContact O-N 3.31Å; V9-L50 HydrophobicContact CG1-CB 4.32Å; V9-I51 HydrophobicContact CG1-CG1 3.93Å; V9-A54 HydrophobicContact CB-CB 4.12Å; V9-A54 HydrophobicContact CG1-CB 3.92Å
10L89.8Confident81.7Confident4 Ų482.7 Ų82.72%0.02142%0.422CS..THydrogen-bonded Turntrans-82.6-8.1173.5-66.9-176.7000114H6 E8 V12 L21 L28 I51 A54 L58H6-L10 PolarHBondContact O-N 3.4Å; E8-L10 VanDerWaalsContact C-N 3.34Å; L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 HydrophobicContact CB-CG1 4.45Å; L10-V12 HydrophobicContact CB-CG2 3.96Å; L10-V12 PolarHBondContact O-N 2.88Å; L10-L21 HydrophobicContact CD1-CD2 3.87Å; L10-L28 HydrophobicContact CD2-CD1 4.2Å; L10-L28 WeakPolarHBondContact O-CD1 3.28Å; L10-I51 HydrophobicContact CD2-CG2 4.04Å; L10-A54 HydrophobicContact CD2-CB 4.42Å; L10-A54 HydrophobicContact CG-CB 4.07Å; L10-L58 HydrophobicContact CD1-CD1 4.03Å
11G88.5Confident82.3Confident68 Ų6878.8 Ų78.870%0.70140%0.403SS*.THydrogen-bonded Turntrans6628.3-179.600000114.8Y7 E8Y7-G11 PolarHBondContact O-N 3.48Å; E8-G11 PolarHBondContact O-N 3.23Å; E8-G11 VanDerWaalsContact O-N 3.14Å
12V91.8Very high85Confident32 Ų3270.7 Ų70.719%0.19436%0.361CS..  trans-111.3162.8-175.6-67.50000112.5Y7 L10 A16 L21 A24Y7-V12 HydrophobicContact CD1-CG2 3.88Å; Y7-V12 PolarHBondContact O-N 2.95Å; L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 HydrophobicContact CB-CG1 4.45Å; L10-V12 HydrophobicContact CB-CG2 3.96Å; L10-V12 PolarHBondContact O-N 2.88Å; V12-A16 HydrophobicContact CB-CB 4.06Å; V12-A16 HydrophobicContact CG2-CB 4.48Å; V12-L21 HydrophobicContact CG2-CD2 3.91Å; V12-A24 HydrophobicContact CG1-CB 3.56Å
13K89.9Confident87.3Confident168 Ų16866.8 Ų66.873%0.7334%0.344SS*.  trans-74.5158.4167.6-66.4-176.9-179.9178.90110.8D15 A16K13-D15 PolarHBondContact O-N 3.5Å; K13-A16 WeakPolarHBondContact O-CB 3.35Å; K13-A16 PolarHBondContact O-N 2.85Å
14R85.1Confident89Confident123 Ų12363.3 Ų63.346%0.46433%0.329SS..THydrogen-bonded Turntrans-59.3-38.5176.2-62-179.569.8170.72.5111.9Y7 A16 R64Y7-R14 WeakPolarHBondContact CE1-O 3.37Å; R14-A16 PolarHBondContact O-N 2.65Å; R14-R64 PolarHBondContact O-NH2 3.18Å
15D86.6Confident90.2Very high149 Ų14959.1 Ų59.180%0.79731%0.313SS*.THydrogen-bonded Turntrans-83.912.8-177-33.6-79.7000113K13 G17K13-D15 PolarHBondContact O-N 3.5Å; D15-G17 PolarHBondContact O-N 3.06Å
16A89.6Confident90.6Very high11 Ų1166.9 Ų66.99%0.09134%0.343CS..  trans-65.3132.9179.500000111.6V12 K13 R14 D20 R64V12-A16 HydrophobicContact CB-CB 4.06Å; V12-A16 HydrophobicContact CG2-CB 4.48Å; K13-A16 WeakPolarHBondContact O-CB 3.35Å; K13-A16 PolarHBondContact O-N 2.85Å; R14-A16 PolarHBondContact O-N 2.65Å; A16-D20 HydrophobicContact CB-CB 4.26Å; A16-R64 PolarHBondContact O-NH1 3.43Å; A16-R64 PolarHBondContact O-NH2 3.07Å
17G90.6Very high91Very high40 Ų4073.2 Ų73.241%0.41237%0.37SS..  trans-73.6163.617200000112.4D15 D19 D20 L21D15-G17 PolarHBondContact O-N 3.06Å; G17-D19 PolarHBondContact O-N 3.17Å; G17-D19 VanDerWaalsContact O-N 3.14Å; G17-D20 PolarHBondContact O-N 3.45Å; G17-L21 PolarHBondContact O-N 2.9Å; G17-L21 VanDerWaalsContact O-N 3.11Å
18D91.4Very high91.2Very high74 Ų7474.6 Ų74.640%0.39638%0.378SS..Hα-helixtrans-60.4-30.1-173.5-54.5-18.2000112.8L21 K22 R64D18-L21 WeakPolarHBondContact O-CB 3.43Å; D18-L21 PolarHBondContact O-N 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.48Å; D18-K22 WeakPolarHBondContact O-CE 3.37Å; D18-K22 WeakPolarHBondContact O-CG 3.3Å; D18-K22 PolarHBondContact O-N 3.25Å; D18-R64 IonicContact OD1-NH1 2.71Å
19D92.3Very high91.2Very high92 Ų9270 Ų7049%0.49236%0.359SS..Hα-helixtrans-72.8-28.5175.6-67.5-29.7000113.2G17 K22 K23G17-D19 PolarHBondContact O-N 3.17Å; G17-D19 VanDerWaalsContact O-N 3.14Å; D19-K22 PolarHBondContact O-N 3Å; D19-K22 WeakPolarHBondContact OD1-CD 3.39Å; D19-K22 WeakPolarHBondContact OD1-CE 3.26Å; D19-K22 IonicContact OD1-NZ 2.78Å; D19-K22 PolarHBondContact OD1-NZ 3.36Å; D19-K23 WeakPolarHBondContact O-CB 3.46Å; D19-K23 WeakPolarHBondContact O-CD 3.28Å; D19-K23 WeakPolarHBondContact O-CE 3.16Å; D19-K23 WeakPolarHBondContact O-CG 3.25Å; D19-K23 PolarHBondContact O-N 3.12Å
20D93.3Very high91.3Very high75 Ų7573.8 Ų73.840%0.40138%0.377SS..Hα-helixtrans-75.6-34.9172.7-69.5-23.5000111.2A16 G17 K23 A24A16-D20 HydrophobicContact CB-CB 4.26Å; G17-D20 PolarHBondContact O-N 3.45Å; D20-K23 PolarHBondContact O-N 2.82Å; D20-K23 WeakPolarHBondContact OD1-CD 3.32Å; D20-K23 WeakPolarHBondContact OD1-CE 3.14Å; D20-K23 IonicContact OD1-NZ 2.7Å; D20-K23 PolarHBondContact OD1-NZ 2.94Å; D20-A24 VanDerWaalsContact O-CB 3.27Å; D20-A24 WeakPolarHBondContact O-CB 3.41Å; D20-A24 PolarHBondContact O-N 2.83Å
21L92.8Very high91.3Very high1 Ų180 Ų801%0.00540%0.404CS..Hα-helixtrans-59.3-48.6166.8-65173000110.9L10 V12 G17 D18 K23 A24 Y25 Y55 L58L10-L21 HydrophobicContact CD1-CD2 3.87Å; V12-L21 HydrophobicContact CG2-CD2 3.91Å; G17-L21 PolarHBondContact O-N 2.9Å; G17-L21 VanDerWaalsContact O-N 3.11Å; D18-L21 WeakPolarHBondContact O-CB 3.43Å; D18-L21 PolarHBondContact O-N 3.26Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 2.86Å; L21-A24 PolarHBondContact O-N 2.79Å; L21-Y25 VanDerWaalsContact O-CB 3.3Å; L21-Y25 WeakPolarHBondContact O-CB 3.49Å; L21-Y25 PolarHBondContact O-N 3.01Å; L21-Y55 HydrophobicContact CB-CD2 4.45Å; L21-Y55 HydrophobicContact CB-CE2 4.34Å; L21-L58 HydrophobicContact CD1-CB 4.03Å; L21-L58 VanDerWaalsContact CD1-O 3.31Å; L21-L58 WeakPolarHBondContact CD1-O 3.39Å; L21-L58 HydrophobicContact CD2-CB 4.25Å; L21-L58 HydrophobicContact CD2-CD1 4.19Å
22K93.3Very high91.4Very high72 Ų7279.8 Ų79.831%0.31338%0.382SS..Hα-helixtrans-62.4-32.9175.5-68.5164.1-144.91620113.1D18 D19 R26 Y55D18-K22 WeakPolarHBondContact O-CB 3.48Å; D18-K22 WeakPolarHBondContact O-CE 3.37Å; D18-K22 WeakPolarHBondContact O-CG 3.3Å; D18-K22 PolarHBondContact O-N 3.25Å; D19-K22 PolarHBondContact O-N 3Å; D19-K22 WeakPolarHBondContact OD1-CD 3.39Å; D19-K22 WeakPolarHBondContact OD1-CE 3.26Å; D19-K22 IonicContact OD1-NZ 2.78Å; D19-K22 PolarHBondContact OD1-NZ 3.36Å; K22-R26 WeakPolarHBondContact O-CB 3.11Å; K22-R26 WeakPolarHBondContact O-CG 3.16Å; K22-R26 PolarHBondContact O-N 3.33Å; K22-R26 PolarHBondContact O-NE 3.49Å; K22-Y55 HydrophobicContact CG-CE2 4.2Å; K22-Y55 WeakPolarHBondContact CG-OH 3.48Å
23K93.9Very high91.2Very high101 Ų10182 Ų8244%0.43939%0.39SS..Hα-helixtrans-73.4-45.1175.6-73.3162-145.5163.20111D19 D20 L21 K27D19-K23 WeakPolarHBondContact O-CB 3.46Å; D19-K23 WeakPolarHBondContact O-CD 3.28Å; D19-K23 WeakPolarHBondContact O-CE 3.16Å; D19-K23 WeakPolarHBondContact O-CG 3.25Å; D19-K23 PolarHBondContact O-N 3.12Å; D20-K23 PolarHBondContact O-N 2.82Å; D20-K23 WeakPolarHBondContact OD1-CD 3.32Å; D20-K23 WeakPolarHBondContact OD1-CE 3.14Å; D20-K23 IonicContact OD1-NZ 2.7Å; D20-K23 PolarHBondContact OD1-NZ 2.94Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 2.86Å; K23-K27 VanDerWaalsContact O-CG 3.31Å; K23-K27 WeakPolarHBondContact O-CG 3.35Å; K23-K27 PolarHBondContact O-N 3.25Å; K23-K27 VanDerWaalsContact O-N 3.14Å
24A94.4Very high91Very high14 Ų1476.5 Ų76.512%0.11637%0.372CS..Hα-helixtrans-65-49.3179.500000111.5V12 D20 L21 R26 K27 L28V12-A24 HydrophobicContact CG1-CB 3.56Å; D20-A24 VanDerWaalsContact O-CB 3.27Å; D20-A24 WeakPolarHBondContact O-CB 3.41Å; D20-A24 PolarHBondContact O-N 2.83Å; L21-A24 PolarHBondContact O-N 2.79Å; A24-R26 PolarHBondContact O-N 3.22Å; A24-K27 PolarHBondContact O-N 2.91Å; A24-L28 WeakPolarHBondContact O-CB 3.44Å; A24-L28 WeakPolarHBondContact O-CG 3.43Å; A24-L28 PolarHBondContact O-N 3.13Å
25Y94.2Very high91.1Very high49 Ų4976.2 Ų76.219%0.19238%0.379CS..Hα-helixtrans-55.3-51.4175.7175.3-112.1000111.8L21 K27 L28 A29 I51 Q52 Y55L21-Y25 VanDerWaalsContact O-CB 3.3Å; L21-Y25 WeakPolarHBondContact O-CB 3.49Å; L21-Y25 PolarHBondContact O-N 3.01Å; Y25-K27 VanDerWaalsContact C-N 3.33Å; Y25-K27 PolarHBondContact O-N 3.38Å; Y25-L28 PolarHBondContact O-N 3.31Å; Y25-A29 HydrophobicContact CE2-CB 4.32Å; Y25-A29 WeakPolarHBondContact O-CB 3.49Å; Y25-A29 PolarHBondContact O-N 2.92Å; Y25-I51 HydrophobicContact CD2-CG2 3.7Å; Y25-I51 HydrophobicContact CE2-CG2 4Å; Y25-Q52 HydrophobicContact CE2-CB 4.37Å; Y25-Y55 VanDerWaalsContact CB-CD2 3.46Å; Y25-Y55 HydrophobicContact CD1-CD1 4.03Å; Y25-Y55 HydrophobicContact CD1-CD2 4.21Å; Y25-Y55 HydrophobicContact CD1-CE1 4.21Å; Y25-Y55 HydrophobicContact CD1-CE2 4.37Å; Y25-Y55 HydrophobicContact CD1-CG 4.03Å; Y25-Y55 HydrophobicContact CD2-CD1 4.25Å; Y25-Y55 HydrophobicContact CD2-CD2 4.3Å; Y25-Y55 AromaticContact CD2-CG 3.76Å; Y25-Y55 HydrophobicContact CD2-CG 3.76Å; Y25-Y55 HydrophobicContact CE1-CD1 4.23Å; Y25-Y55 HydrophobicContact CE1-CE1 4.45Å; Y25-Y55 HydrophobicContact CE2-CD1 4.45Å; Y25-Y55 HydrophobicContact CE2-CG 4.37Å; Y25-Y55 HydrophobicContact CG-CD1 4.05Å; Y25-Y55 AromaticContact CG-CD2 3.74Å; Y25-Y55 HydrophobicContact CG-CD2 3.74Å; Y25-Y55 HydrophobicContact CG-CE2 4.29Å; Y25-Y55 AromaticContact CG-CG 3.59Å; Y25-Y55 HydrophobicContact CG-CG 3.59Å
26R92.9Very high91Very high163 Ų16375.4 Ų75.462%0.61537%0.369SS*.Hα-helixtrans-60-38.2178.7-77.8-178.2-78.3-173.9-3.9113.3K22 A24 L30K22-R26 WeakPolarHBondContact O-CB 3.11Å; K22-R26 WeakPolarHBondContact O-CG 3.16Å; K22-R26 PolarHBondContact O-N 3.33Å; K22-R26 PolarHBondContact O-NE 3.49Å; A24-R26 PolarHBondContact O-N 3.22Å; R26-L30 WeakPolarHBondContact O-CB 3.33Å; R26-L30 PolarHBondContact O-N 2.89Å
27K93.8Very high90.6Very high157 Ų15777.2 Ų77.268%0.68338%0.377SS*.Hα-helixtrans-66.7-44.1175.3-73.3172.4-179.5-178.60112.2K23 A24 Y25 K31K23-K27 VanDerWaalsContact O-CG 3.31Å; K23-K27 WeakPolarHBondContact O-CG 3.35Å; K23-K27 PolarHBondContact O-N 3.25Å; K23-K27 VanDerWaalsContact O-N 3.14Å; A24-K27 PolarHBondContact O-N 2.91Å; Y25-K27 VanDerWaalsContact C-N 3.33Å; Y25-K27 PolarHBondContact O-N 3.38Å; K27-K31 PolarHBondContact O-N 3.45Å; K27-K31 VanDerWaalsContact O-N 3.13Å
28L92.2Very high90.2Very high37 Ų3781.9 Ų81.919%0.19439%0.392CS..Hα-helixtrans-75.7-39.2-176.9-71.9171.2000112.7L10 A24 Y25 L30 K31 W32 I51L10-L28 HydrophobicContact CD2-CD1 4.2Å; L10-L28 WeakPolarHBondContact O-CD1 3.28Å; A24-L28 WeakPolarHBondContact O-CB 3.44Å; A24-L28 WeakPolarHBondContact O-CG 3.43Å; A24-L28 PolarHBondContact O-N 3.13Å; Y25-L28 PolarHBondContact O-N 3.31Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.9Å; L28-K31 PolarHBondContact O-N 3.43Å; L28-K31 VanDerWaalsContact O-N 3.17Å; L28-W32 PolarHBondContact O-N 3.42Å; L28-I51 HydrophobicContact CB-CD1 3.88Å; L28-I51 HydrophobicContact CB-CG1 4.3Å; L28-I51 HydrophobicContact CB-CG2 3.93Å
29A91.3Very high89.7Confident14 Ų1488.1 Ų88.112%0.11642%0.418CS..Hα-helixtrans-60.3-41.2172.900000111.7Y25 H33 F48Y25-A29 HydrophobicContact CE2-CB 4.32Å; Y25-A29 WeakPolarHBondContact O-CB 3.49Å; Y25-A29 PolarHBondContact O-N 2.92Å; A29-H33 WeakPolarHBondContact O-CB 3.31Å; A29-H33 PolarHBondContact O-N 2.94Å; A29-H33 VanDerWaalsContact O-N 3.1Å; A29-F48 HydrophobicContact CB-CD2 4.49Å; A29-F48 HydrophobicContact CB-CE2 3.84Å
30L90.4Very high89.3Confident105 Ų10587 Ų8755%0.5541%0.412SS..Hα-helixtrans-67.9-34.8174.4-168.474000112.5R26 L28R26-L30 WeakPolarHBondContact O-CB 3.33Å; R26-L30 PolarHBondContact O-N 2.89Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.9Å
31K89.4Confident88.9Confident135 Ų13585.3 Ų85.359%0.58741%0.409SS*.Hα-helixtrans-69.9-44.9178.7-177.7179.9176.5-178.20112.1K27 L28 N37K27-K31 PolarHBondContact O-N 3.45Å; K27-K31 VanDerWaalsContact O-N 3.13Å; L28-K31 PolarHBondContact O-N 3.43Å; L28-K31 VanDerWaalsContact O-N 3.17Å; K31-N37 PolarHBondContact O-ND2 3.27Å
32W90.6Very high88.5Confident64 Ų6493.2 Ų93.224%0.24245%0.446CS..SBendtrans-98.718-175.9-65.7107.8000113.5L28 A44 Q47 I51L28-W32 PolarHBondContact O-N 3.42Å; W32-A44 HydrophobicContact CE3-CB 4.18Å; W32-Q47 HydrophobicContact CB-CB 4.41Å; W32-Q47 HydrophobicContact CD2-CB 3.73Å; W32-Q47 HydrophobicContact CD2-CG 4.04Å; W32-Q47 HydrophobicContact CE3-CB 4.03Å; W32-Q47 HydrophobicContact CE3-CG 4.03Å; W32-Q47 HydrophobicContact CG-CB 3.95Å; W32-Q47 HydrophobicContact CH2-CG 3.9Å; W32-Q47 HydrophobicContact CZ2-CB 4.42Å; W32-Q47 HydrophobicContact CZ2-CG 3.93Å; W32-Q47 HydrophobicContact CZ3-CB 4.46Å; W32-Q47 HydrophobicContact CZ3-CG 3.96Å; W32-I51 HydrophobicContact CB-CD1 4.29Å; W32-I51 HydrophobicContact CG-CD1 3.99Å
33H88.1Confident88.1Confident78 Ų7895 Ų9536%0.36146%0.456SS..  trans-64.9131.4175.4-161.2-102.1000110A29 D35 K36 N37A29-H33 WeakPolarHBondContact O-CB 3.31Å; A29-H33 PolarHBondContact O-N 2.94Å; A29-H33 VanDerWaalsContact O-N 3.1Å; H33-D35 VanDerWaalsContact C-N 3.33Å; H33-D35 VanDerWaalsContact ND1-CB 3.32Å; H33-D35 WeakPolarHBondContact ND1-CB 3.38Å; H33-D35 PolarHBondContact O-N 3.12Å; H33-K36 PolarHBondContact O-N 3.04Å; H33-N37 PolarHBondContact O-N 3.2Å; H33-N37 PolarHBondContact O-ND2 2.91Å
34P85.6Confident87.8Confident52 Ų5290.2 Ų90.234%0.33844%0.435SS..G310 helixtrans-61.6-39.3-173.822.1-32.9000112.7K36 N37P34-K36 PolarHBondContact O-N 2.87Å; P34-K36 VanDerWaalsContact O-N 3.1Å; P34-N37 CarbonylContact O-C 3.42Å; P34-N37 PolarHBondContact O-N 2.9Å
35D85.8Confident87.4Confident117 Ų11790.9 Ų90.963%0.62644%0.441SS*.G310 helixtrans-56.8-24.6175.6-171.357.3000113.9H33H33-D35 VanDerWaalsContact C-N 3.33Å; H33-D35 VanDerWaalsContact ND1-CB 3.32Å; H33-D35 WeakPolarHBondContact ND1-CB 3.38Å; H33-D35 PolarHBondContact O-N 3.12Å
36K84.4Confident87Confident132 Ų13294.1 Ų94.157%0.57446%0.457SS*.G310 helixtrans-95.5-9.3177.8-66.3-162.5174.2-168.20114.1H33 P34H33-K36 PolarHBondContact O-N 3.04Å; P34-K36 PolarHBondContact O-N 2.87Å; P34-K36 VanDerWaalsContact O-N 3.1Å
37N82.8Confident86.8Confident49 Ų4988.2 Ų88.226%0.26244%0.437SS..  trans-12847.5-174-62.1-83.6000109.9K31 H33 P34 E39 N40 A41 A44K31-N37 PolarHBondContact O-ND2 3.27Å; H33-N37 PolarHBondContact O-N 3.2Å; H33-N37 PolarHBondContact O-ND2 2.91Å; P34-N37 CarbonylContact O-C 3.42Å; P34-N37 PolarHBondContact O-N 2.9Å; N37-E39 PolarHBondContact O-N 2.84Å; N37-E39 VanDerWaalsContact O-N 3.15Å; N37-N40 CarbonylContact O-C 3.6Å; N37-N40 PolarHBondContact O-N 2.86Å; N37-A41 WeakPolarHBondContact O-CA 3.38Å; N37-A41 PolarHBondContact O-N 2.88Å; N37-A44 HydrophobicContact CB-CB 3.76Å
38L80.4Confident86.5Confident138 Ų13883 Ų8372%0.72341%0.414SS*.G310 helixtrans-55.7-33.3-173.8-60.4174.9000113.4N40L38-N40 VanDerWaalsContact C-N 3.28Å; L38-N40 PolarHBondContact O-N 3.43Å
39E81.2Confident86.3Confident205 Ų20587.4 Ų87.496%0.95843%0.432SS*.G310 helixtrans-72.9-16.9176.9-61.2-177.7163.600113.8N37N37-E39 PolarHBondContact O-N 2.84Å; N37-E39 VanDerWaalsContact O-N 3.15Å
40N84.4Confident86.1Confident68 Ų6889.6 Ų89.636%0.36444%0.441SS..G310 helixtrans-144.547.3-176.6-166.16.1000111.2N37 L38 E42 E43 A44N37-N40 CarbonylContact O-C 3.6Å; N37-N40 PolarHBondContact O-N 2.86Å; L38-N40 VanDerWaalsContact C-N 3.28Å; L38-N40 PolarHBondContact O-N 3.43Å; N40-E42 VanDerWaalsContact C-N 3.26Å; N40-E42 PolarHBondContact O-N 3.32Å; N40-E43 PolarHBondContact ND2-OE2 3.46Å; N40-E43 VanDerWaalsContact OD1-CB 3.28Å; N40-E43 WeakPolarHBondContact OD1-CB 3.42Å; N40-E43 VanDerWaalsContact OD1-CG 3.26Å; N40-E43 WeakPolarHBondContact OD1-CG 3.43Å; N40-A44 VanDerWaalsContact O-CB 3.25Å; N40-A44 WeakPolarHBondContact O-CB 3.38Å; N40-A44 PolarHBondContact O-N 3.47Å; N40-A44 VanDerWaalsContact O-N 3.09Å
41A84Confident86.1Confident41 Ų4184.8 Ų84.834%0.33942%0.416SS..Hα-helixtrans-65.9-28.2-171.200000113.1N37 A45N37-A41 WeakPolarHBondContact O-CA 3.38Å; N37-A41 PolarHBondContact O-N 2.88Å; A41-A45 VanDerWaalsContact O-CB 3.25Å; A41-A45 WeakPolarHBondContact O-CB 3.44Å; A41-A45 PolarHBondContact O-N 2.87Å
42E84.6Confident86.1Confident167 Ų16781.9 Ų81.978%0.7841%0.405SS*.Hα-helixtrans-72.4-54.9179.9-62.4-171.2164.300111.8N40 A44 A45 E46N40-E42 VanDerWaalsContact C-N 3.26Å; N40-E42 PolarHBondContact O-N 3.32Å; E42-A44 PolarHBondContact O-N 3.37Å; E42-A45 PolarHBondContact O-N 2.95Å; E42-A45 VanDerWaalsContact O-N 3.15Å; E42-E46 PolarHBondContact O-N 3.07Å
43E86Confident85.9Confident109 Ų10979.1 Ų79.151%0.50940%0.395SS..Hα-helixtrans-61.5-36.5175.4-63.9-173.8167.400111.3N40 E46 Q47N40-E43 PolarHBondContact ND2-OE2 3.46Å; N40-E43 VanDerWaalsContact OD1-CB 3.28Å; N40-E43 WeakPolarHBondContact OD1-CB 3.42Å; N40-E43 VanDerWaalsContact OD1-CG 3.26Å; N40-E43 WeakPolarHBondContact OD1-CG 3.43Å; E43-E46 PolarHBondContact O-N 3.19Å; E43-Q47 WeakPolarHBondContact O-CG 3.32Å; E43-Q47 PolarHBondContact O-N 2.75Å
44A87.1Confident86Confident1 Ų175.4 Ų75.41%0.00838%0.378CS..Hα-helixtrans-62.1-45175.200000111.8W32 N37 N40 E42 E46 Q47 F48W32-A44 HydrophobicContact CE3-CB 4.18Å; N37-A44 HydrophobicContact CB-CB 3.76Å; N40-A44 VanDerWaalsContact O-CB 3.25Å; N40-A44 WeakPolarHBondContact O-CB 3.38Å; N40-A44 PolarHBondContact O-N 3.47Å; N40-A44 VanDerWaalsContact O-N 3.09Å; E42-A44 PolarHBondContact O-N 3.37Å; A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 3.28Å; A44-Q47 PolarHBondContact O-N 3.38Å; A44-F48 WeakPolarHBondContact O-CB 2.97Å; A44-F48 PolarHBondContact O-N 3.28Å
45A86.6Confident86.3Confident28 Ų2875.1 Ų75.123%0.23137%0.371CS..Hα-helixtrans-64.2-35.3174.700000112.6A41 E42 K49A41-A45 VanDerWaalsContact O-CB 3.25Å; A41-A45 WeakPolarHBondContact O-CB 3.44Å; A41-A45 PolarHBondContact O-N 2.87Å; E42-A45 PolarHBondContact O-N 2.95Å; E42-A45 VanDerWaalsContact O-N 3.15Å; A45-K49 WeakPolarHBondContact O-CD 3.12Å; A45-K49 WeakPolarHBondContact O-CG 3.41Å; A45-K49 PolarHBondContact O-N 3.45Å
46E86.5Confident86.4Confident116 Ų11671.7 Ų71.754%0.54235%0.352SS..Hα-helixtrans-68.3-48.2173.4-70.2-160.4159.100112.8E42 E43 A44 F48 K49 L50E42-E46 PolarHBondContact O-N 3.07Å; E43-E46 PolarHBondContact O-N 3.19Å; A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 3.28Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.25Å; E46-K49 PolarHBondContact O-N 3.35Å; E46-L50 WeakPolarHBondContact O-CG 3.28Å; E46-L50 PolarHBondContact O-N 3.39Å
47Q87.1Confident86.6Confident39 Ų3965.8 Ų65.818%0.18233%0.327CS..Hα-helixtrans-62.2-40.2175.9-61.9-39.1-72.100110.6W32 E43 A44 L50 I51W32-Q47 HydrophobicContact CB-CB 4.41Å; W32-Q47 HydrophobicContact CD2-CB 3.73Å; W32-Q47 HydrophobicContact CD2-CG 4.04Å; W32-Q47 HydrophobicContact CE3-CB 4.03Å; W32-Q47 HydrophobicContact CE3-CG 4.03Å; W32-Q47 HydrophobicContact CG-CB 3.95Å; W32-Q47 HydrophobicContact CH2-CG 3.9Å; W32-Q47 HydrophobicContact CZ2-CB 4.42Å; W32-Q47 HydrophobicContact CZ2-CG 3.93Å; W32-Q47 HydrophobicContact CZ3-CB 4.46Å; W32-Q47 HydrophobicContact CZ3-CG 3.96Å; E43-Q47 WeakPolarHBondContact O-CG 3.32Å; E43-Q47 PolarHBondContact O-N 2.75Å; A44-Q47 PolarHBondContact O-N 3.38Å; Q47-L50 PolarHBondContact O-N 2.87Å; Q47-I51 HydrophobicContact CB-CD1 4.36Å; Q47-I51 WeakPolarHBondContact O-CB 3.45Å; Q47-I51 VanDerWaalsContact O-CD1 3.29Å; Q47-I51 WeakPolarHBondContact O-CD1 3.4Å; Q47-I51 VanDerWaalsContact O-CG1 3.23Å; Q47-I51 WeakPolarHBondContact O-CG1 3.3Å; Q47-I51 PolarHBondContact O-N 3.32Å
48F88.8Confident86.9Confident47 Ų4763.4 Ų63.421%0.20632%0.315CS..Hα-helixtrans-59.6-46.5176.2-171.8-82.9000111.9A29 A44 E46 L50 I51 Q52A29-F48 HydrophobicContact CB-CD2 4.49Å; A29-F48 HydrophobicContact CB-CE2 3.84Å; A44-F48 WeakPolarHBondContact O-CB 2.97Å; A44-F48 PolarHBondContact O-N 3.28Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.25Å; F48-L50 VanDerWaalsContact C-N 3.35Å; F48-L50 PolarHBondContact O-N 3.07Å; F48-I51 PolarHBondContact O-N 3.36Å; F48-Q52 WeakPolarHBondContact O-CB 3.32Å; F48-Q52 PolarHBondContact O-N 2.78Å
49K86.8Confident87.4Confident130 Ų13058.9 Ų58.957%0.56529%0.294SS*.Hα-helixtrans-59.1-43174.1-72.5162.9-172.1170.50112A45 E46 Q52 A53A45-K49 WeakPolarHBondContact O-CD 3.12Å; A45-K49 WeakPolarHBondContact O-CG 3.41Å; A45-K49 PolarHBondContact O-N 3.45Å; E46-K49 PolarHBondContact O-N 3.35Å; K49-Q52 PolarHBondContact O-N 3.46Å; K49-A53 WeakPolarHBondContact O-CB 3.44Å; K49-A53 PolarHBondContact O-N 3.1Å
50L87.6Confident87.7Confident61 Ų6151.2 Ų51.232%0.31926%0.26SS..Hα-helixtrans-65-41.1176.7-71.5170.1000112.3V9 E46 Q47 F48 A54 T97V9-L50 HydrophobicContact CG1-CB 4.32Å; E46-L50 WeakPolarHBondContact O-CG 3.28Å; E46-L50 PolarHBondContact O-N 3.39Å; Q47-L50 PolarHBondContact O-N 2.87Å; F48-L50 VanDerWaalsContact C-N 3.35Å; F48-L50 PolarHBondContact O-N 3.07Å; L50-A54 WeakPolarHBondContact O-CB 3.43Å; L50-A54 PolarHBondContact O-N 2.95Å; L50-T97 HydrophobicContact CD2-CG2 4.26Å
51I91Very high87.9Confident4 Ų452.5 Ų52.52%0.02127%0.272CS..Hα-helixtrans-65.6-42.3177.2-74.7156.9000110.9V9 L10 Y25 L28 W32 Q47 F48 Y55V9-I51 HydrophobicContact CG1-CG1 3.93Å; L10-I51 HydrophobicContact CD2-CG2 4.04Å; Y25-I51 HydrophobicContact CD2-CG2 3.7Å; Y25-I51 HydrophobicContact CE2-CG2 4Å; L28-I51 HydrophobicContact CB-CD1 3.88Å; L28-I51 HydrophobicContact CB-CG1 4.3Å; L28-I51 HydrophobicContact CB-CG2 3.93Å; W32-I51 HydrophobicContact CB-CD1 4.29Å; W32-I51 HydrophobicContact CG-CD1 3.99Å; Q47-I51 HydrophobicContact CB-CD1 4.36Å; Q47-I51 WeakPolarHBondContact O-CB 3.45Å; Q47-I51 VanDerWaalsContact O-CD1 3.29Å; Q47-I51 WeakPolarHBondContact O-CD1 3.4Å; Q47-I51 VanDerWaalsContact O-CG1 3.23Å; Q47-I51 WeakPolarHBondContact O-CG1 3.3Å; Q47-I51 PolarHBondContact O-N 3.32Å; F48-I51 PolarHBondContact O-N 3.36Å; I51-Y55 WeakPolarHBondContact O-CB 3.42Å; I51-Y55 PolarHBondContact O-N 3.42Å
52Q89.4Confident88Confident74 Ų7457.6 Ų57.635%0.34629%0.289SS..Hα-helixtrans-64.7-51.3175-173.6-178.6-21.600111.1Y25 F48 K49 A54 Y55 D56Y25-Q52 HydrophobicContact CE2-CB 4.37Å; F48-Q52 WeakPolarHBondContact O-CB 3.32Å; F48-Q52 PolarHBondContact O-N 2.78Å; K49-Q52 PolarHBondContact O-N 3.46Å; Q52-A54 VanDerWaalsContact C-N 3.28Å; Q52-A54 PolarHBondContact O-N 2.98Å; Q52-Y55 PolarHBondContact O-N 3.03Å; Q52-D56 VanDerWaalsContact O-CG 3.3Å; Q52-D56 PolarHBondContact O-N 2.95Å
53A87.1Confident87.9Confident6 Ų650.6 Ų50.65%0.0526%0.256CS..Hα-helixtrans-59.6-38178.400000112.6K49 V57 V96 T97K49-A53 WeakPolarHBondContact O-CB 3.44Å; K49-A53 PolarHBondContact O-N 3.1Å; A53-V57 WeakPolarHBondContact O-CG2 3.33Å; A53-V57 PolarHBondContact O-N 2.69Å; A53-V96 HydrophobicContact CB-CB 4.28Å; A53-T97 HydrophobicContact CB-CG2 4.09Å
54A89.4Confident88Confident0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-65.8-37.3174.400000113H6 V9 L10 L50 Q52 L58H6-A54 HydrophobicContact CB-CB 3.7Å; V9-A54 HydrophobicContact CB-CB 4.12Å; V9-A54 HydrophobicContact CG1-CB 3.92Å; L10-A54 HydrophobicContact CD2-CB 4.42Å; L10-A54 HydrophobicContact CG-CB 4.07Å; L50-A54 WeakPolarHBondContact O-CB 3.43Å; L50-A54 PolarHBondContact O-N 2.95Å; Q52-A54 VanDerWaalsContact C-N 3.28Å; Q52-A54 PolarHBondContact O-N 2.98Å; A54-L58 WeakPolarHBondContact O-CB 3.1Å; A54-L58 VanDerWaalsContact O-CG 3.27Å; A54-L58 WeakPolarHBondContact O-CG 3.49Å; A54-L58 PolarHBondContact O-N 2.91Å
55Y91.2Very high88Confident45 Ų4549.6 Ų49.618%0.17626%0.258CS..Hα-helixtrans-73.9-41.9175.4176.6-96.5000112.4L21 K22 Y25 I51 Q52 V57 L58 S59L21-Y55 HydrophobicContact CB-CD2 4.45Å; L21-Y55 HydrophobicContact CB-CE2 4.34Å; K22-Y55 HydrophobicContact CG-CE2 4.2Å; K22-Y55 WeakPolarHBondContact CG-OH 3.48Å; Y25-Y55 VanDerWaalsContact CB-CD2 3.46Å; Y25-Y55 HydrophobicContact CD1-CD1 4.03Å; Y25-Y55 HydrophobicContact CD1-CD2 4.21Å; Y25-Y55 HydrophobicContact CD1-CE1 4.21Å; Y25-Y55 HydrophobicContact CD1-CE2 4.37Å; Y25-Y55 HydrophobicContact CD1-CG 4.03Å; Y25-Y55 HydrophobicContact CD2-CD1 4.25Å; Y25-Y55 HydrophobicContact CD2-CD2 4.3Å; Y25-Y55 AromaticContact CD2-CG 3.76Å; Y25-Y55 HydrophobicContact CD2-CG 3.76Å; Y25-Y55 HydrophobicContact CE1-CD1 4.23Å; Y25-Y55 HydrophobicContact CE1-CE1 4.45Å; Y25-Y55 HydrophobicContact CE2-CD1 4.45Å; Y25-Y55 HydrophobicContact CE2-CG 4.37Å; Y25-Y55 HydrophobicContact CG-CD1 4.05Å; Y25-Y55 AromaticContact CG-CD2 3.74Å; Y25-Y55 HydrophobicContact CG-CD2 3.74Å; Y25-Y55 HydrophobicContact CG-CE2 4.29Å; Y25-Y55 AromaticContact CG-CG 3.59Å; Y25-Y55 HydrophobicContact CG-CG 3.59Å; I51-Y55 WeakPolarHBondContact O-CB 3.42Å; I51-Y55 PolarHBondContact O-N 3.42Å; Q52-Y55 PolarHBondContact O-N 3.03Å; Y55-V57 VanDerWaalsContact C-N 3.32Å; Y55-V57 PolarHBondContact O-N 3.45Å; Y55-L58 PolarHBondContact O-N 3.32Å; Y55-S59 WeakPolarHBondContact O-CB 3.43Å; Y55-S59 PolarHBondContact O-N 2.94Å; Y55-S59 PolarHBondContact O-OG 3.48Å
56D88.3Confident87.9Confident45 Ų4549.8 Ų49.824%0.24125%0.253CS..Hα-helixtrans-58-43.9178.9-71.1-9.1000111.1Q52 S59Q52-D56 VanDerWaalsContact O-CG 3.3Å; Q52-D56 PolarHBondContact O-N 2.95Å; D56-S59 PolarHBondContact O-OG 2.96Å
57V87.6Confident87.8Confident8 Ų844.7 Ų44.75%0.04823%0.229CC..Hα-helixtrans-71.6-38.4177.7173.30000112.4A53 Y55 E63 R64 Y67A53-V57 WeakPolarHBondContact O-CG2 3.33Å; A53-V57 PolarHBondContact O-N 2.69Å; Y55-V57 VanDerWaalsContact C-N 3.32Å; Y55-V57 PolarHBondContact O-N 3.45Å; V57-E63 HydrophobicContact CG1-CB 4.46Å; V57-E63 CarbonylContact O-C 3.54Å; V57-E63 WeakPolarHBondContact O-CB 3.49Å; V57-R64 PolarHBondContact O-N 3.41Å; V57-Y67 HydrophobicContact CG1-CD2 4.24Å; V57-Y67 HydrophobicContact CG1-CG 4.02Å
58L89.8Confident87.7Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-85.5-14.9-176.5-67.6178.9000114.4H6 Y7 L10 L21 A54 Y55 R64 Y67H6-L58 HydrophobicContact CB-CD1 3.6Å; H6-L58 HydrophobicContact CB-CD2 4.45Å; H6-L58 HydrophobicContact CB-CG 3.89Å; Y7-L58 HydrophobicContact CD1-CD1 3.79Å; Y7-L58 HydrophobicContact CD1-CD2 4.45Å; Y7-L58 HydrophobicContact CD2-CD1 4.41Å; Y7-L58 HydrophobicContact CD2-CD2 4.34Å; Y7-L58 HydrophobicContact CE1-CD1 3.97Å; Y7-L58 HydrophobicContact CE1-CD2 3.9Å; Y7-L58 HydrophobicContact CE2-CD2 3.77Å; Y7-L58 HydrophobicContact CG-CD1 4.03Å; L10-L58 HydrophobicContact CD1-CD1 4.03Å; L21-L58 HydrophobicContact CD1-CB 4.03Å; L21-L58 VanDerWaalsContact CD1-O 3.31Å; L21-L58 WeakPolarHBondContact CD1-O 3.39Å; L21-L58 HydrophobicContact CD2-CB 4.25Å; L21-L58 HydrophobicContact CD2-CD1 4.19Å; A54-L58 WeakPolarHBondContact O-CB 3.1Å; A54-L58 VanDerWaalsContact O-CG 3.27Å; A54-L58 WeakPolarHBondContact O-CG 3.49Å; A54-L58 PolarHBondContact O-N 2.91Å; Y55-L58 PolarHBondContact O-N 3.32Å; L58-R64 HydrophobicContact CD2-CG 3.98Å; L58-R64 WeakPolarHBondContact O-CD 3.27Å; L58-Y67 HydrophobicContact CD2-CD1 3.97Å; L58-Y67 HydrophobicContact CD2-CE1 4.47Å
59S90.1Very high87.5Confident42 Ų4249.1 Ų49.129%0.29426%0.256SS..Hα-helixtrans-90.4-17.2-178.660.30000114.5Y55 D56Y55-S59 WeakPolarHBondContact O-CB 3.43Å; Y55-S59 PolarHBondContact O-N 2.94Å; Y55-S59 PolarHBondContact O-OG 3.48Å; D56-S59 PolarHBondContact O-OG 2.96Å
60D87.7Confident87Confident45 Ų4545.2 Ų45.224%0.24124%0.24CC..SBendtrans-92.5121.1168.1-176.4-48.3000109.5Q62 E63 R64 K217D60-Q62 PolarHBondContact O-N 3.21Å; D60-Q62 VanDerWaalsContact O-N 3.17Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.44Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.31Å; D60-Q62 PolarHBondContact OD1-N 2.92Å; D60-E63 HydrophobicContact CB-CB 4.09Å; D60-E63 HydrophobicContact CB-CG 4.14Å; D60-E63 PolarHBondContact O-N 3.41Å; D60-E63 PolarHBondContact OD1-N 3.4Å; D60-R64 VanDerWaalsContact O-CB 3.29Å; D60-R64 WeakPolarHBondContact O-CB 3.44Å; D60-R64 PolarHBondContact O-N 2.82Å; D60-K217 IonicContact OD2-NZ 3.52Å; D60-K217 PolarHBondContact OD2-NZ 3.13Å
61P89.1Confident86.4Confident94 Ų9444.2 Ų44.261%0.6123%0.231SC*.Hα-helixtrans-58.1-28.9-179.1-27.435.9000114.9A65P61-A65 VanDerWaalsContact O-CB 3.22Å; P61-A65 WeakPolarHBondContact O-CB 3.28Å; P61-A65 PolarHBondContact O-N 3.37Å
62Q85.4Confident85.5Confident148 Ų14850.5 Ų50.569%0.69226%0.261SS*.Hα-helixtrans-78.2-43.1177.7-176.2175.5-1800111.3D60 W66D60-Q62 PolarHBondContact O-N 3.21Å; D60-Q62 VanDerWaalsContact O-N 3.17Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.44Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.31Å; D60-Q62 PolarHBondContact OD1-N 2.92Å; Q62-W66 WeakPolarHBondContact O-CB 3.43Å; Q62-W66 PolarHBondContact O-N 3.17Å
63E83.7Confident84.5Confident21 Ų2149.5 Ų49.510%0.09827%0.265CS..Hα-helixtrans-69.7-35.4176-60.4-172.4-164.400111.3V57 D60 W66 Y67 K217 R218V57-E63 HydrophobicContact CG1-CB 4.46Å; V57-E63 CarbonylContact O-C 3.54Å; V57-E63 WeakPolarHBondContact O-CB 3.49Å; D60-E63 HydrophobicContact CB-CB 4.09Å; D60-E63 HydrophobicContact CB-CG 4.14Å; D60-E63 PolarHBondContact O-N 3.41Å; D60-E63 PolarHBondContact OD1-N 3.4Å; E63-W66 PolarHBondContact O-N 3.47Å; E63-Y67 VanDerWaalsContact O-CB 3.3Å; E63-Y67 WeakPolarHBondContact O-CB 3.38Å; E63-Y67 PolarHBondContact O-N 3.26Å; E63-K217 WeakPolarHBondContact OE1-CD 3.36Å; E63-K217 IonicContact OE1-NZ 2.61Å; E63-K217 PolarHBondContact OE1-NZ 3.14Å; E63-R218 IonicContact OE1-CZ 3.99Å; E63-R218 IonicContact OE1-NH1 3.28Å; E63-R218 PolarHBondContact OE1-NH1 3.01Å; E63-R218 IonicContact OE1-NH2 2.66Å; E63-R218 PolarHBondContact OE1-NH2 2.88Å; E63-R218 IonicContact OE2-CZ 2.91Å; E63-R218 IonicContact OE2-NH1 3.5Å; E63-R218 PolarHBondContact OE2-NH1 3.18Å; E63-R218 IonicContact OE2-NH2 3.56Å; E63-R218 PolarHBondContact OE2-NH2 2.85Å
64R88.7Confident83.7Confident38 Ų3850.3 Ų50.314%0.14327%0.269CS..Hα-helixtrans-62.9-50.8172.2-176.9178-177.2171.11111.8Y7 R14 A16 D18 V57 L58 D60 W66 Y67 D68Y7-R64 PolarHBondContact OH-NE 3.04Å; R14-R64 PolarHBondContact O-NH2 3.18Å; A16-R64 PolarHBondContact O-NH1 3.43Å; A16-R64 PolarHBondContact O-NH2 3.07Å; D18-R64 IonicContact OD1-NH1 2.71Å; V57-R64 PolarHBondContact O-N 3.41Å; L58-R64 HydrophobicContact CD2-CG 3.98Å; L58-R64 WeakPolarHBondContact O-CD 3.27Å; D60-R64 VanDerWaalsContact O-CB 3.29Å; D60-R64 WeakPolarHBondContact O-CB 3.44Å; D60-R64 PolarHBondContact O-N 2.82Å; R64-W66 VanDerWaalsContact C-N 3.29Å; R64-W66 PolarHBondContact O-N 3.37Å; R64-Y67 PolarHBondContact O-N 2.87Å; R64-D68 PolarHBondContact O-N 2.88Å
65A86.9Confident82.7Confident50 Ų5052.3 Ų52.341%0.41328%0.279SS..Hα-helixtrans-63.1-36.417800000112P61 N69P61-A65 VanDerWaalsContact O-CB 3.22Å; P61-A65 WeakPolarHBondContact O-CB 3.28Å; P61-A65 PolarHBondContact O-N 3.37Å; A65-N69 PolarHBondContact O-N 2.79Å; A65-N69 PolarHBondContact O-ND2 3.49Å
66W83.1Confident81.4Confident33 Ų3356.7 Ų56.713%0.12530%0.299CS..Hα-helixtrans-64.4-45.9172.5-175.992.1000111.7Q62 E63 R64 N69 H70 L74 L91 F94 L207Q62-W66 WeakPolarHBondContact O-CB 3.43Å; Q62-W66 PolarHBondContact O-N 3.17Å; E63-W66 PolarHBondContact O-N 3.47Å; R64-W66 VanDerWaalsContact C-N 3.29Å; R64-W66 PolarHBondContact O-N 3.37Å; W66-N69 PolarHBondContact O-N 3.18Å; W66-H70 AromaticContact CD1-CE1 3.64Å; W66-H70 AromaticContact CD1-ND1 3.68Å; W66-H70 AromaticContact CD2-ND1 3.61Å; W66-H70 AromaticContact CE2-CE1 3.76Å; W66-H70 AromaticContact CE2-ND1 3.38Å; W66-H70 AromaticContact CG-ND1 3.8Å; W66-H70 HydrophobicContact CH2-CB 4.45Å; W66-H70 AromaticContact CZ2-ND1 3.88Å; W66-H70 AromaticContact NE1-CE1 3.34Å; W66-H70 PolarHBondContact NE1-CE1 2.91Å; W66-H70 VanDerWaalsContact NE1-CE1 3.34Å; W66-H70 AromaticContact NE1-ND1 3.43Å; W66-H70 PolarHBondContact NE1-ND1 3.35Å; W66-H70 PolarHBondContact O-N 2.97Å; W66-H70 VanDerWaalsContact O-N 3.1Å; W66-H70 PolarHBondContact O-ND1 3.44Å; W66-L74 HydrophobicContact CZ3-CD1 4.21Å; W66-L91 HydrophobicContact CH2-CB 4.48Å; W66-L91 HydrophobicContact CH2-CD2 3.69Å; W66-L91 HydrophobicContact CZ2-CD2 3.52Å; W66-F94 HydrophobicContact CD2-CD1 4.3Å; W66-F94 HydrophobicContact CD2-CE1 4.41Å; W66-F94 AromaticContact CE2-CD1 3.95Å; W66-F94 AromaticContact CE2-CE1 3.74Å; W66-F94 AromaticContact CE2-CZ 3.96Å; W66-F94 HydrophobicContact CE3-CD1 4.34Å; W66-F94 HydrophobicContact CH2-CB 3.6Å; W66-F94 AromaticContact CH2-CD1 3.76Å; W66-F94 HydrophobicContact CH2-CD1 3.76Å; W66-F94 AromaticContact CH2-CD2 3.46Å; W66-F94 HydrophobicContact CH2-CD2 3.46Å; W66-F94 VanDerWaalsContact CH2-CD2 3.46Å; W66-F94 HydrophobicContact CH2-CE1 4.21Å; W66-F94 AromaticContact CH2-CE2 3.96Å; W66-F94 HydrophobicContact CH2-CE2 3.96Å; W66-F94 AromaticContact CH2-CG 3.33Å; W66-F94 HydrophobicContact CH2-CG 3.33Å; W66-F94 HydrophobicContact CH2-CZ 4.29Å; W66-F94 HydrophobicContact CZ2-CB 4.37Å; W66-F94 AromaticContact CZ2-CD1 3.68Å; W66-F94 HydrophobicContact CZ2-CD1 3.68Å; W66-F94 AromaticContact CZ2-CD2 3.55Å; W66-F94 HydrophobicContact CZ2-CD2 3.55Å; W66-F94 AromaticContact CZ2-CE1 3.64Å; W66-F94 HydrophobicContact CZ2-CE1 3.64Å; W66-F94 AromaticContact CZ2-CE2 3.52Å; W66-F94 HydrophobicContact CZ2-CE2 3.52Å; W66-F94 AromaticContact CZ2-CG 3.61Å; W66-F94 HydrophobicContact CZ2-CG 3.61Å; W66-F94 AromaticContact CZ2-CZ 3.55Å; W66-F94 HydrophobicContact CZ2-CZ 3.55Å; W66-F94 HydrophobicContact CZ3-CB 3.72Å; W66-F94 HydrophobicContact CZ3-CD1 4.09Å; W66-F94 HydrophobicContact CZ3-CD2 4.4Å; W66-F94 AromaticContact CZ3-CG 3.85Å; W66-F94 HydrophobicContact CZ3-CG 3.85Å; W66-L207 HydrophobicContact CZ2-CD2 4.35Å
67Y84.3Confident79.6Confident9 Ų957.6 Ų57.64%0.03532%0.319CS..Hα-helixtrans-62.2-47.1178.3179.7-104.1000111.7C5 H6 Y7 V57 L58 E63 R64 N69 H70 R71 L74C5-Y67 WeakPolarHBondContact CA-OH 3.33Å; C5-Y67 PolarHBondContact SG-OH 3.48Å; H6-Y67 HydrophobicContact CB-CE1 4.1Å; H6-Y67 AromaticContact CD2-CD2 3.54Å; H6-Y67 AromaticContact CD2-CE1 3.87Å; H6-Y67 AromaticContact CD2-CE2 3.2Å; H6-Y67 WeakPolarHBondContact CD2-CE2 3.44Å; H6-Y67 AromaticContact CD2-CZ 3.38Å; H6-Y67 AromaticContact CG-CZ 3.81Å; H6-Y67 PolarHBondContact N-OH 3.43Å; H6-Y67 VanDerWaalsContact N-OH 3.08Å; H6-Y67 AromaticContact NE2-CD2 3.88Å; H6-Y67 AromaticContact NE2-CE2 3.49Å; H6-Y67 WeakPolarHBondContact NE2-CE2 3.49Å; Y7-Y67 HydrophobicContact CD2-CE1 4.23Å; Y7-Y67 HydrophobicContact CE2-CD1 4.29Å; Y7-Y67 HydrophobicContact CE2-CE1 4.2Å; V57-Y67 HydrophobicContact CG1-CD2 4.24Å; V57-Y67 HydrophobicContact CG1-CG 4.02Å; L58-Y67 HydrophobicContact CD2-CD1 3.97Å; L58-Y67 HydrophobicContact CD2-CE1 4.47Å; E63-Y67 VanDerWaalsContact O-CB 3.3Å; E63-Y67 WeakPolarHBondContact O-CB 3.38Å; E63-Y67 PolarHBondContact O-N 3.26Å; R64-Y67 PolarHBondContact O-N 2.87Å; Y67-N69 VanDerWaalsContact C-N 3.28Å; Y67-N69 PolarHBondContact O-N 3.06Å; Y67-H70 CarbonylContact O-C 3.59Å; Y67-H70 PolarHBondContact O-N 3.08Å; Y67-R71 HydrophobicContact CE1-CG 4.26Å; Y67-R71 WeakPolarHBondContact O-CA 3.43Å; Y67-R71 VanDerWaalsContact O-CB 3.27Å; Y67-R71 WeakPolarHBondContact O-CB 2.77Å; Y67-R71 PolarHBondContact O-N 3.34Å; Y67-L74 HydrophobicContact CD2-CD1 3.9Å; Y67-L74 HydrophobicContact CE2-CD1 3.92Å
68D86.3Confident77.7Confident46 Ų4659.9 Ų59.925%0.24635%0.345CS..Hα-helixtrans-61.8-34.4179.6-85-50.7000112.9Y7 R64Y7-D68 VanDerWaalsContact CE2-OD1 3.29Å; Y7-D68 WeakPolarHBondContact CE2-OD1 3.49Å; Y7-D68 PolarHBondContact OH-OD1 2.87Å; Y7-D68 PolarHBondContact OH-OD2 3.17Å; R64-D68 PolarHBondContact O-N 2.88Å
69N83.9Confident75.5Confident133 Ų13367 Ų6771%0.71138%0.382SS*.Hα-helixtrans-70.8-38.8174.6-75.8-49.3000113A65 W66 Y67A65-N69 PolarHBondContact O-N 2.79Å; A65-N69 PolarHBondContact O-ND2 3.49Å; W66-N69 PolarHBondContact O-N 3.18Å; Y67-N69 VanDerWaalsContact C-N 3.28Å; Y67-N69 PolarHBondContact O-N 3.06Å
70H75.7Confident73.2Confident48 Ų4869.6 Ų69.622%0.22240%0.4CS..Hα-helixtrans-97.9-3.3-176.7-59.498000114.1W66 Y67 E72 A73 L74 L91W66-H70 AromaticContact CD1-CE1 3.64Å; W66-H70 AromaticContact CD1-ND1 3.68Å; W66-H70 AromaticContact CD2-ND1 3.61Å; W66-H70 AromaticContact CE2-CE1 3.76Å; W66-H70 AromaticContact CE2-ND1 3.38Å; W66-H70 AromaticContact CG-ND1 3.8Å; W66-H70 HydrophobicContact CH2-CB 4.45Å; W66-H70 AromaticContact CZ2-ND1 3.88Å; W66-H70 AromaticContact NE1-CE1 3.34Å; W66-H70 PolarHBondContact NE1-CE1 2.91Å; W66-H70 VanDerWaalsContact NE1-CE1 3.34Å; W66-H70 AromaticContact NE1-ND1 3.43Å; W66-H70 PolarHBondContact NE1-ND1 3.35Å; W66-H70 PolarHBondContact O-N 2.97Å; W66-H70 VanDerWaalsContact O-N 3.1Å; W66-H70 PolarHBondContact O-ND1 3.44Å; Y67-H70 CarbonylContact O-C 3.59Å; Y67-H70 PolarHBondContact O-N 3.08Å; H70-E72 PolarHBondContact O-N 3.22Å; H70-E72 VanDerWaalsContact O-N 3.13Å; H70-A73 PolarHBondContact O-N 2.87Å; H70-L74 HydrophobicContact CB-CD1 4.31Å; H70-L74 PolarHBondContact O-N 3.23Å; H70-L91 HydrophobicContact CB-CD2 4.23Å
71R76.7Confident71Confident39 Ų3969.4 Ų69.415%0.14741%0.409CS..Hα-helixtrans-49.6-42.8-176.4-177.2-172.7179-77.1-6112.6C5 E8 Y67 L74 L75C5-R71 PolarHBondContact SG-NE 3.33Å; E8-R71 IonicContact OE1-NH2 3.71Å; E8-R71 PolarHBondContact OE1-NH2 3.29Å; Y67-R71 HydrophobicContact CE1-CG 4.26Å; Y67-R71 WeakPolarHBondContact O-CA 3.43Å; Y67-R71 VanDerWaalsContact O-CB 3.27Å; Y67-R71 WeakPolarHBondContact O-CB 2.77Å; Y67-R71 PolarHBondContact O-N 3.34Å; R71-L74 PolarHBondContact O-N 3.34Å; R71-L75 HydrophobicContact CG-CD1 4.12Å; R71-L75 WeakPolarHBondContact O-CB 3.46Å; R71-L75 PolarHBondContact O-N 2.98Å
72E70.6Confident68.5Low136 Ų13673.6 Ų73.664%0.63643%0.426SS*.Hα-helixtrans-74.2-32-175.3-60.7-164.6168.700112.4H70 K76H70-E72 PolarHBondContact O-N 3.22Å; H70-E72 VanDerWaalsContact O-N 3.13Å; E72-K76 WeakPolarHBondContact O-CB 3.34Å; E72-K76 PolarHBondContact O-N 3.22Å
73A69.9Low66.7Low54 Ų5474.2 Ų74.245%0.44642%0.423SS..Hα-helixtrans-66.8-50.4169.100000110.7H70 L75 K76 G77 L91H70-A73 PolarHBondContact O-N 2.87Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 3.43Å; A73-K76 PolarHBondContact O-N 2.95Å; A73-G77 PolarHBondContact O-N 2.91Å; A73-G77 VanDerWaalsContact O-N 3.12Å; A73-L91 HydrophobicContact CB-CD1 3.84Å
74L69.9Low65.1Low23 Ų2381.3 Ų81.312%0.1246%0.457CS..Hα-helixtrans-56.9-39.3178.6-78.3166.1000113.8W66 Y67 H70 R71 L91W66-L74 HydrophobicContact CZ3-CD1 4.21Å; Y67-L74 HydrophobicContact CD2-CD1 3.9Å; Y67-L74 HydrophobicContact CE2-CD1 3.92Å; H70-L74 HydrophobicContact CB-CD1 4.31Å; H70-L74 PolarHBondContact O-N 3.23Å; R71-L74 PolarHBondContact O-N 3.34Å; L74-L91 HydrophobicContact CD2-CB 3.7Å; L74-L91 HydrophobicContact CG-CB 4.27Å
75L68.7Low63.7Low41 Ų4182 Ų8222%0.21546%0.463CS..Hα-helixtrans-86.5-25.8179.4-97.273.5000114C5 R71 A73C5-L75 HydrophobicContact CB-CD1 4.39Å; C5-L75 HydrophobicContact CB-CD2 4.19Å; R71-L75 HydrophobicContact CG-CD1 4.12Å; R71-L75 WeakPolarHBondContact O-CB 3.46Å; R71-L75 PolarHBondContact O-N 2.98Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 3.43Å
76K63.5Low62.3Low137 Ų13786.9 Ų86.960%0.59648%0.482SS*.Hα-helixtrans-77.2-31.2179.1-167.1173.9-178.6-170.10111.7E72 A73 S80E72-K76 WeakPolarHBondContact O-CB 3.34Å; E72-K76 PolarHBondContact O-N 3.22Å; A73-K76 PolarHBondContact O-N 2.95Å; K76-S80 WeakPolarHBondContact CE-OG 3.22Å; K76-S80 PolarHBondContact NZ-OG 3.12Å
77G50.5Low61.6Low65 Ų6586.9 Ų86.967%0.6749%0.487SS*.  trans70.377.4167.700000112.8A73A73-G77 PolarHBondContact O-N 2.91Å; A73-G77 VanDerWaalsContact O-N 3.12Å
78G48.3Very low61.3Low56 Ų5688.4 Ų88.458%0.57750%0.496SS*.SBendtrans83156.3-170.400000112.7S80G78-S80 PolarHBondContact O-N 3.49Å
79L41.8Very low61Low149 Ų14990.2 Ų90.278%0.7851%0.505SS*.  trans-82.1115.5176.9-72.6169.1000109.5G81L79-G81 PolarHBondContact O-N 3.02Å
80S42Very low60.9Low96 Ų9684.1 Ų84.167%0.67147%0.472SS*.  trans-71.378.2168.865.40000110.1K76 G78K76-S80 WeakPolarHBondContact CE-OG 3.22Å; K76-S80 PolarHBondContact NZ-OG 3.12Å; G78-S80 PolarHBondContact O-N 3.49Å
81G41.7Very low61Low42 Ų4282.7 Ų82.743%0.43347%0.466SS..SBendtrans-172.3153-178.900000111.8L79 Y83L79-G81 PolarHBondContact O-N 3.02Å; G81-Y83 PolarHBondContact O-N 3.45Å
82D37.2Very low61.2Low182 Ų18285.8 Ų85.897%0.97348%0.483SS*.SBendtrans-75.218.2-151.5-26.9-41.8000116.3
83Y46.9Very low61.8Low160 Ų16082.2 Ų82.263%0.62746%0.464SS*.  trans-141.5100-178.4-166.2-93.5000109.5G81 D85 W171G81-Y83 PolarHBondContact O-N 3.45Å; Y83-D85 PolarHBondContact O-N 3.4Å; Y83-W171 AromaticContact CE1-CD1 3.93Å
84E51.3Low62.3Low171 Ų17180.2 Ų80.280%0.79945%0.445SS*.  trans-70.6117.5174.1-64.5-177.515600108.3D86E84-D86 PolarHBondContact O-N 3.17Å
85D57.9Low62.7Low53 Ų5379.8 Ų79.828%0.28344%0.443SS..  trans-88.4100.6174.2-161.3-32.9000106Y83 S87 W171 K172Y83-D85 PolarHBondContact O-N 3.4Å; D85-S87 PolarHBondContact O-N 3.33Å; D85-W171 PolarHBondContact OD2-NE1 2.86Å; D85-W171 VanDerWaalsContact OD2-NE1 3.13Å; D85-K172 WeakPolarHBondContact OD2-CE 3.5Å; D85-K172 IonicContact OD2-NZ 3.7Å; D85-K172 PolarHBondContact OD2-NZ 3.07Å
86D58.8Low63.2Low152 Ų15279.4 Ų79.481%0.81344%0.442SS*.  trans-60.16.3-175-66.3-49.3000114.8E84E84-D86 PolarHBondContact O-N 3.17Å
87S68.5Low63.9Low32 Ų3276.1 Ų76.122%0.22443%0.434CS..SBendtrans-67.7134.7175-163.40000111.7D85 D89 E123 R204D85-S87 PolarHBondContact O-N 3.33Å; S87-D89 PolarHBondContact O-N 3.45Å; S87-E123 WeakPolarHBondContact CA-OE1 3.5Å; S87-E123 VanDerWaalsContact CB-OE1 3.27Å; S87-E123 WeakPolarHBondContact CB-OE1 3.33Å; S87-E123 PolarHBondContact OG-OE1 3.2Å; S87-R204 PolarHBondContact OG-NH1 2.85Å
88I78.1Confident65.4Low42 Ų4274.5 Ų74.522%0.21541%0.412CS..  trans-60.4128.3-173.7-58.6158.2000110.7L90 Y93 L116 S119 I120 E123 R204I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 HydrophobicContact CB-CD2 4.32Å; I88-L90 HydrophobicContact CG2-CD2 4.1Å; I88-L90 PolarHBondContact O-N 2.92Å; I88-Y93 HydrophobicContact CG2-CE2 4.41Å; I88-L116 HydrophobicContact CG2-CD1 3.89Å; I88-S119 VanDerWaalsContact CD1-CB 3.45Å; I88-S119 WeakPolarHBondContact CD1-O 3.18Å; I88-I120 HydrophobicContact CD1-CG1 4.15Å; I88-E123 HydrophobicContact CD1-CB 4.42Å; I88-E123 WeakPolarHBondContact CD1-OE2 3.48Å; I88-E123 WeakPolarHBondContact CG1-OE2 3.35Å; I88-E123 PolarHBondContact N-OE2 3.23Å; I88-E123 VanDerWaalsContact N-OE2 3.16Å; I88-R204 PolarHBondContact O-NH1 3.43Å
89D78.9Confident67.1Low84 Ų8472.7 Ų72.745%0.44939%0.388SS..  trans-71.986.3173.8-178.120.5000111.4S87 L91 Q92S87-D89 PolarHBondContact O-N 3.45Å; D89-L91 PolarHBondContact O-N 2.96Å; D89-L91 VanDerWaalsContact O-N 3.15Å; D89-L91 WeakPolarHBondContact OD1-CB 3.43Å; D89-L91 VanDerWaalsContact OD1-CG 3.28Å; D89-L91 WeakPolarHBondContact OD1-CG 3.33Å; D89-L91 PolarHBondContact OD1-N 3.38Å; D89-Q92 PolarHBondContact O-N 3.32Å
90L81.8Confident69.2Low4 Ų469 Ų692%0.02137%0.374CS..G310 helixtrans-57.9-25.7176.9-54.4-176.2000112.5I88 Q92 Y93 F94 L116 I120 L207 V208 L211I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 HydrophobicContact CB-CD2 4.32Å; I88-L90 HydrophobicContact CG2-CD2 4.1Å; I88-L90 PolarHBondContact O-N 2.92Å; L90-Q92 PolarHBondContact O-N 2.92Å; L90-Y93 PolarHBondContact O-N 3.32Å; L90-Y93 VanDerWaalsContact O-N 3.09Å; L90-F94 HydrophobicContact CB-CE2 4.44Å; L90-F94 VanDerWaalsContact O-CD2 3.23Å; L90-F94 WeakPolarHBondContact O-CD2 3.29Å; L90-L116 HydrophobicContact CD2-CD1 4.16Å; L90-I120 HydrophobicContact CD2-CD1 3.68Å; L90-I120 HydrophobicContact CD2-CG1 3.99Å; L90-L207 HydrophobicContact CD1-CB 4.21Å; L90-V208 HydrophobicContact CD1-CB 4.45Å; L90-V208 HydrophobicContact CD1-CG2 3.52Å; L90-L211 HydrophobicContact CB-CD2 4.43Å; L90-L211 HydrophobicContact CD2-CD2 4.14Å
91L78.4Confident71.3Confident18 Ų1866.3 Ų66.39%0.09436%0.363CS..G310 helixtrans-61.9-32-172.8-56.9174.1000112.3W66 H70 A73 L74 D89 Y93 F94 L207W66-L91 HydrophobicContact CH2-CB 4.48Å; W66-L91 HydrophobicContact CH2-CD2 3.69Å; W66-L91 HydrophobicContact CZ2-CD2 3.52Å; H70-L91 HydrophobicContact CB-CD2 4.23Å; A73-L91 HydrophobicContact CB-CD1 3.84Å; L74-L91 HydrophobicContact CD2-CB 3.7Å; L74-L91 HydrophobicContact CG-CB 4.27Å; D89-L91 PolarHBondContact O-N 2.96Å; D89-L91 VanDerWaalsContact O-N 3.15Å; D89-L91 WeakPolarHBondContact OD1-CB 3.43Å; D89-L91 VanDerWaalsContact OD1-CG 3.28Å; D89-L91 WeakPolarHBondContact OD1-CG 3.33Å; D89-L91 PolarHBondContact OD1-N 3.38Å; L91-Y93 PolarHBondContact O-N 3.09Å; L91-F94 PolarHBondContact O-N 3.31Å; L91-L207 HydrophobicContact CD2-CD2 3.8Å
92Q79.7Confident73.4Confident105 Ų10567.7 Ų67.749%0.49136%0.355SS..G310 helixtrans-62.1-32.2178-170.5171114.400112.8D89 L90 F94 T95D89-Q92 PolarHBondContact O-N 3.32Å; L90-Q92 PolarHBondContact O-N 2.92Å; Q92-F94 PolarHBondContact O-N 2.75Å; Q92-T95 PolarHBondContact O-OG1 3.16Å
93Y83.8Confident75.6Confident61 Ų6160.1 Ų60.124%0.23932%0.32CS..G310 helixtrans-86.6-1.9-173.2-61-89.4000114.2I88 L90 L91 T95 V112 Y113 L116I88-Y93 HydrophobicContact CG2-CE2 4.41Å; L90-Y93 PolarHBondContact O-N 3.32Å; L90-Y93 VanDerWaalsContact O-N 3.09Å; L91-Y93 PolarHBondContact O-N 3.09Å; Y93-T95 PolarHBondContact O-N 3.04Å; Y93-V112 HydrophobicContact CD1-CG1 4.27Å; Y93-V112 HydrophobicContact CE1-CG1 4.32Å; Y93-Y113 PolarHBondContact O-OH 3.29Å; Y93-L116 HydrophobicContact CD1-CD1 4.39Å; Y93-L116 HydrophobicContact CD1-CD2 3.67Å; Y93-L116 HydrophobicContact CD1-CG 4.44Å; Y93-L116 HydrophobicContact CD2-CD1 3.81Å; Y93-L116 HydrophobicContact CD2-CD2 3.89Å; Y93-L116 HydrophobicContact CD2-CG 4.49Å; Y93-L116 HydrophobicContact CE1-CB 4.47Å; Y93-L116 HydrophobicContact CE1-CD1 4.25Å; Y93-L116 HydrophobicContact CE1-CD2 4.26Å; Y93-L116 HydrophobicContact CE2-CD1 3.66Å; Y93-L116 HydrophobicContact CE2-CD2 4.47Å; Y93-L116 HydrophobicContact CG-CD1 4.17Å; Y93-L116 HydrophobicContact CG-CD2 3.44Å; Y93-L116 VanDerWaalsContact CG-CD2 3.44Å; Y93-L116 HydrophobicContact CG-CG 4.38Å
94F81Confident77.5Confident12 Ų1255.3 Ų55.35%0.05331%0.305CS..G310 helixtrans-80.210.1167.5-72.9-100.9000113W66 L90 L91 Q92 Q210 L211 F214W66-F94 HydrophobicContact CD2-CD1 4.3Å; W66-F94 HydrophobicContact CD2-CE1 4.41Å; W66-F94 AromaticContact CE2-CD1 3.95Å; W66-F94 AromaticContact CE2-CE1 3.74Å; W66-F94 AromaticContact CE2-CZ 3.96Å; W66-F94 HydrophobicContact CE3-CD1 4.34Å; W66-F94 HydrophobicContact CH2-CB 3.6Å; W66-F94 AromaticContact CH2-CD1 3.76Å; W66-F94 HydrophobicContact CH2-CD1 3.76Å; W66-F94 AromaticContact CH2-CD2 3.46Å; W66-F94 HydrophobicContact CH2-CD2 3.46Å; W66-F94 VanDerWaalsContact CH2-CD2 3.46Å; W66-F94 HydrophobicContact CH2-CE1 4.21Å; W66-F94 AromaticContact CH2-CE2 3.96Å; W66-F94 HydrophobicContact CH2-CE2 3.96Å; W66-F94 AromaticContact CH2-CG 3.33Å; W66-F94 HydrophobicContact CH2-CG 3.33Å; W66-F94 HydrophobicContact CH2-CZ 4.29Å; W66-F94 HydrophobicContact CZ2-CB 4.37Å; W66-F94 AromaticContact CZ2-CD1 3.68Å; W66-F94 HydrophobicContact CZ2-CD1 3.68Å; W66-F94 AromaticContact CZ2-CD2 3.55Å; W66-F94 HydrophobicContact CZ2-CD2 3.55Å; W66-F94 AromaticContact CZ2-CE1 3.64Å; W66-F94 HydrophobicContact CZ2-CE1 3.64Å; W66-F94 AromaticContact CZ2-CE2 3.52Å; W66-F94 HydrophobicContact CZ2-CE2 3.52Å; W66-F94 AromaticContact CZ2-CG 3.61Å; W66-F94 HydrophobicContact CZ2-CG 3.61Å; W66-F94 AromaticContact CZ2-CZ 3.55Å; W66-F94 HydrophobicContact CZ2-CZ 3.55Å; W66-F94 HydrophobicContact CZ3-CB 3.72Å; W66-F94 HydrophobicContact CZ3-CD1 4.09Å; W66-F94 HydrophobicContact CZ3-CD2 4.4Å; W66-F94 AromaticContact CZ3-CG 3.85Å; W66-F94 HydrophobicContact CZ3-CG 3.85Å; L90-F94 HydrophobicContact CB-CE2 4.44Å; L90-F94 VanDerWaalsContact O-CD2 3.23Å; L90-F94 WeakPolarHBondContact O-CD2 3.29Å; L91-F94 PolarHBondContact O-N 3.31Å; Q92-F94 PolarHBondContact O-N 2.75Å; F94-Q210 HydrophobicContact CE1-CB 3.9Å; F94-Q210 HydrophobicContact CZ-CB 3.94Å; F94-L211 HydrophobicContact CD2-CD1 4.3Å; F94-L211 HydrophobicContact CE1-CB 4.33Å; F94-L211 HydrophobicContact CE2-CB 3.86Å; F94-L211 HydrophobicContact CE2-CD1 4.2Å; F94-L211 VanDerWaalsContact CZ-CA 3.48Å; F94-L211 HydrophobicContact CZ-CB 3.65Å; F94-F214 HydrophobicContact CD1-CB 4.08Å; F94-F214 HydrophobicContact CD1-CD2 4.13Å; F94-F214 HydrophobicContact CD1-CG 4.11Å; F94-F214 HydrophobicContact CE1-CB 4.29Å; F94-F214 WeakPolarHBondContact O-CE2 3.14Å; F94-F214 WeakPolarHBondContact O-CZ 3.42Å
95T78.5Confident79.3Confident14 Ų1452 Ų529%0.08629%0.293CS..SBendtrans-108.1131.5-179.867.70000110.9Q92 Y93 T97 C98Q92-T95 PolarHBondContact O-OG1 3.16Å; Y93-T95 PolarHBondContact O-N 3.04Å; T95-T97 VanDerWaalsContact CB-OG1 3.31Å; T95-T97 WeakPolarHBondContact CB-OG1 3.44Å; T95-T97 PolarHBondContact O-N 3.04Å; T95-T97 PolarHBondContact OG1-OG1 3.24Å; T95-T97 VanDerWaalsContact OG1-OG1 3.09Å; T95-C98 PolarHBondContact O-N 2.85Å; T95-C98 PolarHBondContact O-SG 2.91Å
96V78.1Confident80.6Confident32 Ų3257.9 Ų57.919%0.19432%0.319CS..G310 helixtrans-60.3-17.2176179.90000112A53 F214A53-V96 HydrophobicContact CB-CB 4.28Å; V96-F214 HydrophobicContact CG2-CZ 4.37Å
97T79.4Confident81.9Confident68 Ų6857.3 Ų57.342%0.41731%0.309SS..G310 helixtrans-76.3-10.1174.142.20000115.5L50 A53 T95 Y99L50-T97 HydrophobicContact CD2-CG2 4.26Å; A53-T97 HydrophobicContact CB-CG2 4.09Å; T95-T97 VanDerWaalsContact CB-OG1 3.31Å; T95-T97 WeakPolarHBondContact CB-OG1 3.44Å; T95-T97 PolarHBondContact O-N 3.04Å; T95-T97 PolarHBondContact OG1-OG1 3.24Å; T95-T97 VanDerWaalsContact OG1-OG1 3.09Å; T97-Y99 VanDerWaalsContact C-N 3.27Å; T97-Y99 PolarHBondContact O-N 2.87Å
98C80.5Confident82.9Confident32 Ų3255.8 Ų55.822%0.21630%0.298CS..G310 helixtrans-78.9-7.6-178.779.60000114T95 Y113T95-C98 PolarHBondContact O-N 2.85Å; T95-C98 PolarHBondContact O-SG 2.91Å; C98-Y113 PolarHBondContact SG-OH 2.85Å; C98-Y113 VanDerWaalsContact SG-OH 3.41Å
99Y85.3Confident83.5Confident17 Ų1753.8 Ų53.87%0.06729%0.288CS..  trans-13815917561.2-91.4000111.2T97 Y102 K107 F109 Y113T97-Y99 VanDerWaalsContact C-N 3.27Å; T97-Y99 PolarHBondContact O-N 2.87Å; Y99-Y102 AromaticContact CE2-CE1 3.84Å; Y99-Y102 HydrophobicContact CE2-CE1 3.84Å; Y99-Y102 HydrophobicContact CE2-CE2 4.1Å; Y99-Y102 AromaticContact CE2-CZ 3.49Å; Y99-Y102 VanDerWaalsContact CE2-CZ 3.49Å; Y99-Y102 WeakPolarHBondContact CE2-OH 3.4Å; Y99-Y102 PolarHBondContact OH-OH 2.74Å; Y99-K107 CarbonylContact C-O 3.55Å; Y99-K107 WeakPolarHBondContact CA-O 3.44Å; Y99-F109 HydrophobicContact CD1-CD2 4.09Å; Y99-F109 HydrophobicContact CD2-CB 3.9Å; Y99-F109 HydrophobicContact CD2-CD2 4.02Å; Y99-F109 HydrophobicContact CD2-CG 4.48Å; Y99-F109 AromaticContact CE1-CD2 3.86Å; Y99-F109 HydrophobicContact CE1-CD2 3.86Å; Y99-F109 HydrophobicContact CE1-CE2 4.33Å; Y99-F109 HydrophobicContact CE2-CB 4.3Å; Y99-F109 AromaticContact CE2-CD2 3.79Å; Y99-F109 HydrophobicContact CE2-CD2 3.79Å; Y99-F109 HydrophobicContact CG-CB 4.26Å; Y99-F109 HydrophobicContact CG-CD2 4.18Å; Y99-F109 AromaticContact CZ-CD2 3.7Å; Y99-Y113 AromaticContact CD1-CE2 3.63Å; Y99-Y113 HydrophobicContact CD1-CE2 3.63Å; Y99-Y113 AromaticContact CE1-CE2 3.79Å; Y99-Y113 HydrophobicContact CE1-CE2 3.79Å
100S85.4Confident84.1Confident71 Ų7150 Ų5050%0.49727%0.267SS..  trans-128.5104.717860.80000110.6K107S100-K107 PolarHBondContact N-O 2.78Å; S100-K107 VanDerWaalsContact OG-CB 3.3Å; S100-K107 WeakPolarHBondContact OG-CB 3.4Å
101G85.6Confident84.5Confident41 Ų4150.9 Ų50.942%0.42327%0.273SS..SBendtrans83.1179.2-178.400000114F109G101-F109 WeakPolarHBondContact O-CB 3.42Å; G101-F109 PolarHBondContact O-N 2.69Å
102Y85.6Confident85.1Confident71 Ų7151.1 Ų51.128%0.27828%0.275SS..SBendtrans-127.132.6-176-62.1-93.7000111.7Y99 F109 Y110 R220Y99-Y102 AromaticContact CE2-CE1 3.84Å; Y99-Y102 HydrophobicContact CE2-CE1 3.84Å; Y99-Y102 HydrophobicContact CE2-CE2 4.1Å; Y99-Y102 AromaticContact CE2-CZ 3.49Å; Y99-Y102 VanDerWaalsContact CE2-CZ 3.49Å; Y99-Y102 WeakPolarHBondContact CE2-OH 3.4Å; Y99-Y102 PolarHBondContact OH-OH 2.74Å; Y102-F109 HydrophobicContact CD1-CB 3.5Å; Y102-F109 HydrophobicContact CD1-CD1 4.01Å; Y102-F109 AromaticContact CD1-CD2 3.93Å; Y102-F109 HydrophobicContact CD1-CD2 3.93Å; Y102-F109 AromaticContact CD1-CG 3.56Å; Y102-F109 HydrophobicContact CD1-CG 3.56Å; Y102-F109 HydrophobicContact CE1-CB 3.93Å; Y102-F109 HydrophobicContact CE1-CD1 4.36Å; Y102-F109 AromaticContact CE1-CD2 3.53Å; Y102-F109 HydrophobicContact CE1-CD2 3.53Å; Y102-F109 HydrophobicContact CE1-CE2 4.07Å; Y102-F109 AromaticContact CE1-CG 3.69Å; Y102-F109 HydrophobicContact CE1-CG 3.69Å; Y102-F109 HydrophobicContact CG-CB 4.18Å; Y102-Y110 WeakPolarHBondContact O-CE2 3.34Å; Y102-R220 HydrophobicContact CD1-CG 4.48Å; Y102-R220 PolarHBondContact OH-NH1 2.85Å; Y102-R220 PolarHBondContact OH-NH2 2.94Å
103G84.2Confident85.7Confident22 Ų2246.1 Ų46.123%0.22725%0.252CS..SBendtrans-87.7-178160.500000111.3D105 G108G103-D105 WeakPolarHBondContact CA-OD2 3.5Å; G103-G108 WeakPolarHBondContact O-CA 3.44Å
104D87.7Confident86.1Confident59 Ų5946.3 Ų46.332%0.31625%0.252SS..SBendtrans-90.320.7170.5-66.2-80.7000112.1Y110 T111 R114 D144 S145D104-Y110 WeakPolarHBondContact OD1-CB 3.29Å; D104-T111 VanDerWaalsContact C-OG1 3.29Å; D104-T111 PolarHBondContact O-OG1 3.02Å; D104-R114 IonicContact OD1-NH2 3.15Å; D104-R114 PolarHBondContact OD1-NH2 2.86Å; D104-R114 VanDerWaalsContact OD1-NH2 3.15Å; D104-D144 WeakPolarHBondContact OD1-CA 3.35Å; D104-D144 WeakPolarHBondContact OD1-CB 3.46Å; D104-S145 PolarHBondContact OD1-N 3.05Å; D104-S145 WeakPolarHBondContact OD2-CB 3.38Å; D104-S145 PolarHBondContact OD2-N 3.11Å; D104-S145 PolarHBondContact OD2-OG 3.38Å
105D87.7Confident86.5Confident103 Ų10349.4 Ų49.455%0.55127%0.269SS*.SBendtrans-57.9161.9174.4-46.4-85.1000111.9G103 K107 G108 T111G103-D105 WeakPolarHBondContact CA-OD2 3.5Å; D105-K107 PolarHBondContact O-N 3.19Å; D105-G108 PolarHBondContact O-N 3.23Å; D105-T111 WeakPolarHBondContact O-CB 3.36Å; D105-T111 PolarHBondContact O-OG1 2.82Å
106E85.4Confident87.1Confident176 Ų17648.9 Ų48.982%0.82227%0.266SS*.THydrogen-bonded Turntrans-51.3-32.2179.1-63.6-178.3168.700114.2
107K86.1Confident87.8Confident139 Ų13947.6 Ų47.660%0.60426%0.258SS*.THydrogen-bonded Turntrans-111.46.2178.4-62.2176.8-175.8172.30112.6Y99 S100 D105Y99-K107 CarbonylContact C-O 3.55Å; Y99-K107 WeakPolarHBondContact CA-O 3.44Å; S100-K107 PolarHBondContact N-O 2.78Å; S100-K107 VanDerWaalsContact OG-CB 3.3Å; S100-K107 WeakPolarHBondContact OG-CB 3.4Å; D105-K107 PolarHBondContact O-N 3.19Å
108G89.8Confident88.4Confident0 Ų049.4 Ų49.40%026%0.262CS..SBendtrans-67.7152.7177.800000111.7G103 D105 Y110 T111 V112G103-G108 WeakPolarHBondContact O-CA 3.44Å; D105-G108 PolarHBondContact O-N 3.23Å; G108-Y110 PolarHBondContact O-N 3.09Å; G108-T111 PolarHBondContact O-N 3.44Å; G108-V112 WeakPolarHBondContact O-CG2 3.39Å; G108-V112 PolarHBondContact O-N 3.13Å
109F90.9Very high88.8Confident0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-46.3-46.9179.8175.9-93.2000112.9Y99 G101 Y102 Y113 F142 V215 R218 D219Y99-F109 HydrophobicContact CD1-CD2 4.09Å; Y99-F109 HydrophobicContact CD2-CB 3.9Å; Y99-F109 HydrophobicContact CD2-CD2 4.02Å; Y99-F109 HydrophobicContact CD2-CG 4.48Å; Y99-F109 AromaticContact CE1-CD2 3.86Å; Y99-F109 HydrophobicContact CE1-CD2 3.86Å; Y99-F109 HydrophobicContact CE1-CE2 4.33Å; Y99-F109 HydrophobicContact CE2-CB 4.3Å; Y99-F109 AromaticContact CE2-CD2 3.79Å; Y99-F109 HydrophobicContact CE2-CD2 3.79Å; Y99-F109 HydrophobicContact CG-CB 4.26Å; Y99-F109 HydrophobicContact CG-CD2 4.18Å; Y99-F109 AromaticContact CZ-CD2 3.7Å; G101-F109 WeakPolarHBondContact O-CB 3.42Å; G101-F109 PolarHBondContact O-N 2.69Å; Y102-F109 HydrophobicContact CD1-CB 3.5Å; Y102-F109 HydrophobicContact CD1-CD1 4.01Å; Y102-F109 AromaticContact CD1-CD2 3.93Å; Y102-F109 HydrophobicContact CD1-CD2 3.93Å; Y102-F109 AromaticContact CD1-CG 3.56Å; Y102-F109 HydrophobicContact CD1-CG 3.56Å; Y102-F109 HydrophobicContact CE1-CB 3.93Å; Y102-F109 HydrophobicContact CE1-CD1 4.36Å; Y102-F109 AromaticContact CE1-CD2 3.53Å; Y102-F109 HydrophobicContact CE1-CD2 3.53Å; Y102-F109 HydrophobicContact CE1-CE2 4.07Å; Y102-F109 AromaticContact CE1-CG 3.69Å; Y102-F109 HydrophobicContact CE1-CG 3.69Å; Y102-F109 HydrophobicContact CG-CB 4.18Å; F109-Y113 HydrophobicContact CD1-CD2 4.45Å; F109-Y113 AromaticContact CD2-CD2 3.68Å; F109-Y113 HydrophobicContact CD2-CD2 3.68Å; F109-Y113 AromaticContact CD2-CE2 3.54Å; F109-Y113 HydrophobicContact CD2-CE2 3.54Å; F109-Y113 HydrophobicContact CE1-CD2 4.4Å; F109-Y113 AromaticContact CE2-CD2 3.63Å; F109-Y113 HydrophobicContact CE2-CD2 3.63Å; F109-Y113 AromaticContact CE2-CE2 3.45Å; F109-Y113 HydrophobicContact CE2-CE2 3.45Å; F109-Y113 VanDerWaalsContact CE2-CE2 3.45Å; F109-Y113 HydrophobicContact CG-CD2 4.11Å; F109-Y113 HydrophobicContact CG-CE2 4.39Å; F109-Y113 HydrophobicContact CZ-CD2 4.01Å; F109-Y113 HydrophobicContact CZ-CE2 4.23Å; F109-Y113 VanDerWaalsContact O-CD2 3.25Å; F109-Y113 WeakPolarHBondContact O-CD2 3.47Å; F109-Y113 PolarHBondContact O-N 3.41Å; F109-F142 HydrophobicContact CE1-CE1 4.32Å; F109-F142 HydrophobicContact CE1-CZ 4.03Å; F109-V215 HydrophobicContact CE1-CG1 4.33Å; F109-V215 HydrophobicContact CE2-CG1 4.39Å; F109-V215 HydrophobicContact CZ-CG1 3.67Å; F109-R218 HydrophobicContact CE2-CB 4.02Å; F109-R218 HydrophobicContact CZ-CB 4.42Å; F109-D219 HydrophobicContact CE1-CB 3.96Å; F109-D219 HydrophobicContact CZ-CB 3.97Å
110Y91.1Very high89.1Confident5 Ų549.8 Ų49.82%0.0227%0.267CS..Hα-helixtrans-69.4-44.9-174.9-60.2-70000112.2Y102 D104 G108 R114 F142 S145Y102-Y110 WeakPolarHBondContact O-CE2 3.34Å; D104-Y110 WeakPolarHBondContact OD1-CB 3.29Å; G108-Y110 PolarHBondContact O-N 3.09Å; Y110-R114 WeakPolarHBondContact O-CB 3.41Å; Y110-R114 PolarHBondContact O-N 3.34Å; Y110-F142 AromaticContact CD1-CE1 3.9Å; Y110-F142 HydrophobicContact CD1-CE1 3.9Å; Y110-S145 VanDerWaalsContact CE2-CA 3.46Å
111T90.8Very high89.3Confident23 Ų2348 Ų4814%0.14125%0.253CS..Hα-helixtrans-66.1-42.9179-52.50000112.4D104 D105 G108 Y113 R114 N115D104-T111 VanDerWaalsContact C-OG1 3.29Å; D104-T111 PolarHBondContact O-OG1 3.02Å; D105-T111 WeakPolarHBondContact O-CB 3.36Å; D105-T111 PolarHBondContact O-OG1 2.82Å; G108-T111 PolarHBondContact O-N 3.44Å; T111-Y113 PolarHBondContact O-N 3.5Å; T111-R114 PolarHBondContact O-N 3.02Å; T111-N115 WeakPolarHBondContact O-CB 3.4Å; T111-N115 PolarHBondContact O-N 2.77Å; T111-N115 PolarHBondContact O-OD1 3.1Å
112V91Very high89.3Confident23 Ų2352.3 Ų52.314%0.13926%0.26CS..Hα-helixtrans-61.9-47.1178.3172.20000111.4Y93 G108 L116Y93-V112 HydrophobicContact CD1-CG1 4.27Å; Y93-V112 HydrophobicContact CE1-CG1 4.32Å; G108-V112 WeakPolarHBondContact O-CG2 3.39Å; G108-V112 PolarHBondContact O-N 3.13Å; V112-L116 WeakPolarHBondContact O-CB 3.27Å; V112-L116 PolarHBondContact O-N 3.5Å
113Y91.9Very high89.3Confident0 Ų049.6 Ų49.60%025%0.25CC..Hα-helixtrans-77-32.5-179.9-72.5-62.2000113.1Y93 C98 Y99 F109 T111 L116 F117 L211 F214 V215Y93-Y113 PolarHBondContact O-OH 3.29Å; C98-Y113 PolarHBondContact SG-OH 2.85Å; C98-Y113 VanDerWaalsContact SG-OH 3.41Å; Y99-Y113 AromaticContact CD1-CE2 3.63Å; Y99-Y113 HydrophobicContact CD1-CE2 3.63Å; Y99-Y113 AromaticContact CE1-CE2 3.79Å; Y99-Y113 HydrophobicContact CE1-CE2 3.79Å; F109-Y113 HydrophobicContact CD1-CD2 4.45Å; F109-Y113 AromaticContact CD2-CD2 3.68Å; F109-Y113 HydrophobicContact CD2-CD2 3.68Å; F109-Y113 AromaticContact CD2-CE2 3.54Å; F109-Y113 HydrophobicContact CD2-CE2 3.54Å; F109-Y113 HydrophobicContact CE1-CD2 4.4Å; F109-Y113 AromaticContact CE2-CD2 3.63Å; F109-Y113 HydrophobicContact CE2-CD2 3.63Å; F109-Y113 AromaticContact CE2-CE2 3.45Å; F109-Y113 HydrophobicContact CE2-CE2 3.45Å; F109-Y113 VanDerWaalsContact CE2-CE2 3.45Å; F109-Y113 HydrophobicContact CG-CD2 4.11Å; F109-Y113 HydrophobicContact CG-CE2 4.39Å; F109-Y113 HydrophobicContact CZ-CD2 4.01Å; F109-Y113 HydrophobicContact CZ-CE2 4.23Å; F109-Y113 VanDerWaalsContact O-CD2 3.25Å; F109-Y113 WeakPolarHBondContact O-CD2 3.47Å; F109-Y113 PolarHBondContact O-N 3.41Å; T111-Y113 PolarHBondContact O-N 3.5Å; Y113-L116 HydrophobicContact CD1-CD2 3.97Å; Y113-L116 HydrophobicContact CE1-CD2 4.28Å; Y113-L116 PolarHBondContact O-N 3.35Å; Y113-F117 WeakPolarHBondContact O-CD2 3.37Å; Y113-F117 PolarHBondContact O-N 3.49Å; Y113-L211 HydrophobicContact CE1-CD1 4.2Å; Y113-F214 WeakPolarHBondContact OH-CE1 3.17Å; Y113-V215 HydrophobicContact CD1-CG2 3.51Å; Y113-V215 HydrophobicContact CD2-CG1 4.17Å; Y113-V215 HydrophobicContact CD2-CG2 4.18Å; Y113-V215 HydrophobicContact CE1-CG2 3.46Å; Y113-V215 VanDerWaalsContact CE1-CG2 3.46Å; Y113-V215 HydrophobicContact CE2-CG2 4.13Å; Y113-V215 HydrophobicContact CG-CG1 4.15Å; Y113-V215 HydrophobicContact CG-CG2 3.91Å
114R91.5Very high89.5Confident64 Ų6448.5 Ų48.524%0.24224%0.239CC..Hα-helixtrans-56.1-56.1170.9-176.7-162-47.9-107.75110.6D104 Y110 T111 L116 F117 E118 F142 G143D104-R114 IonicContact OD1-NH2 3.15Å; D104-R114 PolarHBondContact OD1-NH2 2.86Å; D104-R114 VanDerWaalsContact OD1-NH2 3.15Å; Y110-R114 WeakPolarHBondContact O-CB 3.41Å; Y110-R114 PolarHBondContact O-N 3.34Å; T111-R114 PolarHBondContact O-N 3.02Å; R114-L116 PolarHBondContact O-N 3.48Å; R114-F117 PolarHBondContact O-N 3.14Å; R114-F117 VanDerWaalsContact O-N 3.15Å; R114-E118 VanDerWaalsContact CG-OE1 3.24Å; R114-E118 WeakPolarHBondContact CG-OE1 3.4Å; R114-E118 WeakPolarHBondContact O-CB 3.32Å; R114-E118 WeakPolarHBondContact O-CG 3.38Å; R114-E118 PolarHBondContact O-N 3.19Å; R114-F142 HydrophobicContact CB-CB 4.39Å; R114-F142 HydrophobicContact CB-CD1 4.3Å; R114-G143 PolarHBondContact NH1-O 3.27Å; R114-G143 PolarHBondContact NH2-O 2.8Å; R114-G143 VanDerWaalsContact NH2-O 3.14Å
115N90.8Very high89.2Confident78 Ų7849.4 Ų49.442%0.41724%0.242SC..Hα-helixtrans-61-34.4-179.8-62.93.1000112T111 S119T111-N115 WeakPolarHBondContact O-CB 3.4Å; T111-N115 PolarHBondContact O-N 2.77Å; T111-N115 PolarHBondContact O-OD1 3.1Å; N115-S119 VanDerWaalsContact O-CB 3.32Å; N115-S119 WeakPolarHBondContact O-CB 3.39Å; N115-S119 PolarHBondContact O-N 3.19Å; N115-S119 PolarHBondContact O-OG 2.99Å
116L91.4Very high89Confident3 Ų349.9 Ų49.92%0.01624%0.241CC..Hα-helixtrans-66.4-49.1174.3177.562.1000112.1I88 L90 Y93 V112 Y113 R114 S119 I120 L211I88-L116 HydrophobicContact CG2-CD1 3.89Å; L90-L116 HydrophobicContact CD2-CD1 4.16Å; Y93-L116 HydrophobicContact CD1-CD1 4.39Å; Y93-L116 HydrophobicContact CD1-CD2 3.67Å; Y93-L116 HydrophobicContact CD1-CG 4.44Å; Y93-L116 HydrophobicContact CD2-CD1 3.81Å; Y93-L116 HydrophobicContact CD2-CD2 3.89Å; Y93-L116 HydrophobicContact CD2-CG 4.49Å; Y93-L116 HydrophobicContact CE1-CB 4.47Å; Y93-L116 HydrophobicContact CE1-CD1 4.25Å; Y93-L116 HydrophobicContact CE1-CD2 4.26Å; Y93-L116 HydrophobicContact CE2-CD1 3.66Å; Y93-L116 HydrophobicContact CE2-CD2 4.47Å; Y93-L116 HydrophobicContact CG-CD1 4.17Å; Y93-L116 HydrophobicContact CG-CD2 3.44Å; Y93-L116 VanDerWaalsContact CG-CD2 3.44Å; Y93-L116 HydrophobicContact CG-CG 4.38Å; V112-L116 WeakPolarHBondContact O-CB 3.27Å; V112-L116 PolarHBondContact O-N 3.5Å; Y113-L116 HydrophobicContact CD1-CD2 3.97Å; Y113-L116 HydrophobicContact CE1-CD2 4.28Å; Y113-L116 PolarHBondContact O-N 3.35Å; R114-L116 PolarHBondContact O-N 3.48Å; L116-S119 WeakPolarHBondContact O-CB 3.33Å; L116-S119 PolarHBondContact O-N 3.25Å; L116-I120 HydrophobicContact CD1-CD1 4.4Å; L116-I120 HydrophobicContact CG-CD1 4.22Å; L116-I120 WeakPolarHBondContact O-CG1 3.4Å; L116-I120 PolarHBondContact O-N 3.2Å; L116-L211 HydrophobicContact CD2-CD1 4.29Å; L116-L211 HydrophobicContact CD2-CD2 3.69Å; L116-L211 HydrophobicContact CG-CD2 4.45Å
117F92.3Very high88.5Confident5 Ų544.9 Ų44.92%0.02222%0.217CC..Hα-helixtrans-66.1-39.8178.3-74.7-63.1000111.7Y113 R114 S119 I120 V121 F142 F156 W160 L211 V212Y113-F117 WeakPolarHBondContact O-CD2 3.37Å; Y113-F117 PolarHBondContact O-N 3.49Å; R114-F117 PolarHBondContact O-N 3.14Å; R114-F117 VanDerWaalsContact O-N 3.15Å; F117-S119 VanDerWaalsContact C-N 3.3Å; F117-S119 PolarHBondContact O-N 3.47Å; F117-I120 HydrophobicContact CD1-CD1 4.07Å; F117-I120 HydrophobicContact CE1-CD1 4.39Å; F117-I120 PolarHBondContact O-N 3.36Å; F117-V121 VanDerWaalsContact O-CG2 3.31Å; F117-V121 WeakPolarHBondContact O-CG2 3.3Å; F117-V121 PolarHBondContact O-N 3.26Å; F117-F142 HydrophobicContact CD2-CD2 4.26Å; F117-F142 HydrophobicContact CD2-CG 4.44Å; F117-F142 HydrophobicContact CE2-CD2 4.39Å; F117-F142 HydrophobicContact CE2-CE2 4.38Å; F117-F156 HydrophobicContact CD1-CZ 4.09Å; F117-F156 HydrophobicContact CD2-CE2 4.22Å; F117-F156 AromaticContact CD2-CZ 3.58Å; F117-F156 HydrophobicContact CD2-CZ 3.58Å; F117-F156 HydrophobicContact CE1-CZ 4.17Å; F117-F156 HydrophobicContact CE2-CE1 4.26Å; F117-F156 AromaticContact CE2-CZ 3.67Å; F117-F156 HydrophobicContact CE2-CZ 3.67Å; F117-F156 HydrophobicContact CG-CE2 4.22Å; F117-F156 AromaticContact CG-CZ 3.83Å; F117-F156 HydrophobicContact CG-CZ 3.83Å; F117-F156 HydrophobicContact CZ-CE1 4.48Å; F117-F156 AromaticContact CZ-CZ 3.98Å; F117-F156 HydrophobicContact CZ-CZ 3.98Å; F117-W160 HydrophobicContact CB-CZ2 4.36Å; F117-W160 HydrophobicContact CD1-CD2 4.02Å; F117-W160 AromaticContact CD1-CE3 3.82Å; F117-W160 HydrophobicContact CD1-CE3 3.82Å; F117-W160 AromaticContact CD1-CH2 3.91Å; F117-W160 HydrophobicContact CD1-CH2 3.91Å; F117-W160 HydrophobicContact CD1-CZ2 4.1Å; F117-W160 AromaticContact CD1-CZ3 3.77Å; F117-W160 HydrophobicContact CD1-CZ3 3.77Å; F117-W160 HydrophobicContact CE1-CD2 4.24Å; F117-W160 AromaticContact CE1-CE3 3.91Å; F117-W160 HydrophobicContact CE1-CE3 3.91Å; F117-W160 HydrophobicContact CE1-CZ3 4.19Å; F117-L211 HydrophobicContact CE1-CD2 4.48Å; F117-V212 HydrophobicContact CE1-CG2 3.64Å; F117-V212 HydrophobicContact CZ-CG2 3.76Å
118E91Very high87.8Confident106 Ų10639.6 Ų39.650%0.49520%0.198SC..Hα-helixtrans-59.4-39.3171.2-73171.4-172.500112.1R114 V121 K122R114-E118 VanDerWaalsContact CG-OE1 3.24Å; R114-E118 WeakPolarHBondContact CG-OE1 3.4Å; R114-E118 WeakPolarHBondContact O-CB 3.32Å; R114-E118 WeakPolarHBondContact O-CG 3.38Å; R114-E118 PolarHBondContact O-N 3.19Å; E118-V121 PolarHBondContact O-N 3.02Å; E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 3.37Å
119S90Very high86.2Confident57 Ų5748.7 Ų48.740%0.39923%0.232SC..Hα-helixtrans-66.6-39.4174.8-58.80000112I88 N115 L116 F117 K122 E123I88-S119 VanDerWaalsContact CD1-CB 3.45Å; I88-S119 WeakPolarHBondContact CD1-O 3.18Å; N115-S119 VanDerWaalsContact O-CB 3.32Å; N115-S119 WeakPolarHBondContact O-CB 3.39Å; N115-S119 PolarHBondContact O-N 3.19Å; N115-S119 PolarHBondContact O-OG 2.99Å; L116-S119 WeakPolarHBondContact O-CB 3.33Å; L116-S119 PolarHBondContact O-N 3.25Å; F117-S119 VanDerWaalsContact C-N 3.3Å; F117-S119 PolarHBondContact O-N 3.47Å; S119-K122 PolarHBondContact O-N 3.39Å; S119-E123 WeakPolarHBondContact O-CB 3.46Å; S119-E123 PolarHBondContact O-N 2.95Å
120I90.2Very high84.2Confident0 Ų056.7 Ų56.70%027%0.272CS..Hα-helixtrans-64.9-43.7173-63.5163.1000110.5I88 L90 L116 F117 K122 E123 E124 W160 F163 L211I88-I120 HydrophobicContact CD1-CG1 4.15Å; L90-I120 HydrophobicContact CD2-CD1 3.68Å; L90-I120 HydrophobicContact CD2-CG1 3.99Å; L116-I120 HydrophobicContact CD1-CD1 4.4Å; L116-I120 HydrophobicContact CG-CD1 4.22Å; L116-I120 WeakPolarHBondContact O-CG1 3.4Å; L116-I120 PolarHBondContact O-N 3.2Å; F117-I120 HydrophobicContact CD1-CD1 4.07Å; F117-I120 HydrophobicContact CE1-CD1 4.39Å; F117-I120 PolarHBondContact O-N 3.36Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.49Å; I120-E123 WeakPolarHBondContact O-CB 3.31Å; I120-E123 PolarHBondContact O-N 2.89Å; I120-E124 HydrophobicContact CG2-CG 4.29Å; I120-E124 WeakPolarHBondContact O-CG 3.19Å; I120-E124 PolarHBondContact O-N 3.45Å; I120-W160 HydrophobicContact CB-CH2 4.22Å; I120-W160 HydrophobicContact CB-CZ3 4.5Å; I120-W160 HydrophobicContact CG2-CH2 3.88Å; I120-W160 HydrophobicContact CG2-CZ3 3.88Å; I120-F163 HydrophobicContact CG2-CE2 4.41Å; I120-F163 HydrophobicContact CG2-CZ 4.26Å; I120-L211 HydrophobicContact CD1-CD2 4.3Å
121V89.6Confident82.4Confident33 Ų3363.2 Ų63.220%0.231%0.307CS..Hα-helixtrans-57.5-47.9175.8168.80000110.3F117 E118 E123 E124 M125 F139 W160F117-V121 VanDerWaalsContact O-CG2 3.31Å; F117-V121 WeakPolarHBondContact O-CG2 3.3Å; F117-V121 PolarHBondContact O-N 3.26Å; E118-V121 PolarHBondContact O-N 3.02Å; V121-E123 PolarHBondContact O-N 2.91Å; V121-E124 PolarHBondContact O-N 3.31Å; V121-M125 HydrophobicContact CG1-CG 4.14Å; V121-M125 WeakPolarHBondContact O-CB 3.38Å; V121-M125 VanDerWaalsContact O-CG 3.25Å; V121-M125 WeakPolarHBondContact O-CG 3.49Å; V121-M125 PolarHBondContact O-N 2.91Å; V121-F139 HydrophobicContact CB-CB 4.49Å; V121-F139 HydrophobicContact CB-CD2 4.46Å; V121-F139 HydrophobicContact CB-CG 4.34Å; V121-F139 HydrophobicContact CG1-CB 4.08Å; V121-F139 HydrophobicContact CG1-CD2 3.66Å; V121-F139 HydrophobicContact CG1-CE2 4.23Å; V121-F139 HydrophobicContact CG1-CG 3.92Å; V121-F139 HydrophobicContact CG2-CB 3.54Å; V121-F139 HydrophobicContact CG2-CD1 3.78Å; V121-F139 HydrophobicContact CG2-CD2 4.18Å; V121-F139 HydrophobicContact CG2-CE1 4.5Å; V121-F139 HydrophobicContact CG2-CG 3.59Å; V121-W160 HydrophobicContact CG2-CH2 3.89Å; V121-W160 HydrophobicContact CG2-CZ2 3.59Å
122K86.9Confident80.6Confident131 Ų13167 Ų6757%0.5733%0.327SS*.Hα-helixtrans-58.2-47.2175.1-176.4-177.6167.2-1740111.7E118 S119 I120 E124 M125 E126E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 3.37Å; S119-K122 PolarHBondContact O-N 3.39Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.49Å; K122-E124 VanDerWaalsContact C-N 3.27Å; K122-E124 PolarHBondContact O-N 3.14Å; K122-M125 PolarHBondContact O-N 3.47Å; K122-E126 WeakPolarHBondContact CE-OE1 3.32Å; K122-E126 HydrophobicContact CG-CG 4.48Å; K122-E126 IonicContact NZ-OE1 3.65Å; K122-E126 WeakPolarHBondContact O-CB 3.37Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 2.92Å
123E86.1Confident79Confident14 Ų1474.9 Ų74.97%0.06536%0.362CS..Hα-helixtrans-59.7-35.6178.1-161-164.4142.500112.3S87 I88 S119 I120 V121 H127 K167 R204S87-E123 WeakPolarHBondContact CA-OE1 3.5Å; S87-E123 VanDerWaalsContact CB-OE1 3.27Å; S87-E123 WeakPolarHBondContact CB-OE1 3.33Å; S87-E123 PolarHBondContact OG-OE1 3.2Å; I88-E123 HydrophobicContact CD1-CB 4.42Å; I88-E123 WeakPolarHBondContact CD1-OE2 3.48Å; I88-E123 WeakPolarHBondContact CG1-OE2 3.35Å; I88-E123 PolarHBondContact N-OE2 3.23Å; I88-E123 VanDerWaalsContact N-OE2 3.16Å; S119-E123 WeakPolarHBondContact O-CB 3.46Å; S119-E123 PolarHBondContact O-N 2.95Å; I120-E123 WeakPolarHBondContact O-CB 3.31Å; I120-E123 PolarHBondContact O-N 2.89Å; V121-E123 PolarHBondContact O-N 2.91Å; E123-H127 PolarHBondContact O-ND1 3.27Å; E123-K167 WeakPolarHBondContact OE1-CE 3.43Å; E123-K167 IonicContact OE1-NZ 2.69Å; E123-K167 PolarHBondContact OE1-NZ 3.48Å; E123-R204 IonicContact OE1-CZ 3.3Å; E123-R204 IonicContact OE1-NH1 3.5Å; E123-R204 IonicContact OE1-NH2 3.96Å; E123-R204 PolarHBondContact OE1-NH2 3.25Å; E123-R204 IonicContact OE2-CZ 3.49Å; E123-R204 IonicContact OE2-NH1 3.12Å; E123-R204 IonicContact OE2-NH2 3.98Å; E123-R204 PolarHBondContact OE2-NH2 2.73Å
124E87.9Confident77.3Confident0 Ų084.5 Ų84.50%041%0.407CS..Hα-helixtrans-79.2-36.4176.5-65.6-62.7155.900112.9I120 V121 K122 H127 S128 F139 F163 T165 R166I120-E124 HydrophobicContact CG2-CG 4.29Å; I120-E124 WeakPolarHBondContact O-CG 3.19Å; I120-E124 PolarHBondContact O-N 3.45Å; V121-E124 PolarHBondContact O-N 3.31Å; K122-E124 VanDerWaalsContact C-N 3.27Å; K122-E124 PolarHBondContact O-N 3.14Å; E124-H127 CarbonylContact O-C 3.51Å; E124-H127 PolarHBondContact O-N 3.06Å; E124-S128 PolarHBondContact O-N 2.99Å; E124-F139 HydrophobicContact CB-CZ 4.1Å; E124-F163 HydrophobicContact CG-CE2 4.12Å; E124-F163 HydrophobicContact CG-CZ 3.85Å; E124-T165 WeakPolarHBondContact OE1-CB 3.34Å; E124-T165 PolarHBondContact OE1-OG1 3Å; E124-T165 WeakPolarHBondContact OE2-CA 3.26Å; E124-T165 WeakPolarHBondContact OE2-CB 3.26Å; E124-T165 PolarHBondContact OE2-OG1 3.07Å; E124-R166 PolarHBondContact OE2-N 3.38Å
125M81.9Confident75.5Confident77 Ų7787.8 Ų87.838%0.37943%0.425SS..Hα-helixtrans-66.4-42176.1-72-67.5-81.200111.5V121 K122 H127 S128 F139V121-M125 HydrophobicContact CG1-CG 4.14Å; V121-M125 WeakPolarHBondContact O-CB 3.38Å; V121-M125 VanDerWaalsContact O-CG 3.25Å; V121-M125 WeakPolarHBondContact O-CG 3.49Å; V121-M125 PolarHBondContact O-N 2.91Å; K122-M125 PolarHBondContact O-N 3.47Å; M125-H127 PolarHBondContact O-N 3.08Å; M125-H127 VanDerWaalsContact O-N 3.15Å; M125-S128 VanDerWaalsContact O-CB 3.27Å; M125-S128 WeakPolarHBondContact O-CB 3.34Å; M125-S128 PolarHBondContact O-N 3.25Å; M125-F139 HydrophobicContact CG-CE2 4.16Å; M125-F139 HydrophobicContact SD-CD2 4.43Å; M125-F139 HydrophobicContact SD-CE2 3.88Å
126E82.4Confident73.9Confident113 Ų11392 Ų9253%0.52844%0.442SS..THydrogen-bonded Turntrans-62.8-17.8173.8-72.7175.5168.200113.5K122K122-E126 WeakPolarHBondContact CE-OE1 3.32Å; K122-E126 HydrophobicContact CG-CG 4.48Å; K122-E126 IonicContact NZ-OE1 3.65Å; K122-E126 WeakPolarHBondContact O-CB 3.37Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 2.92Å
127H75.6Confident72.5Confident71 Ų7198.2 Ų98.233%0.32947%0.471SS..THydrogen-bonded Turntrans-105.4-6175.7-67.565.8000113.2E123 E124 M125 K167E123-H127 PolarHBondContact O-ND1 3.27Å; E124-H127 CarbonylContact O-C 3.51Å; E124-H127 PolarHBondContact O-N 3.06Å; M125-H127 PolarHBondContact O-N 3.08Å; M125-H127 VanDerWaalsContact O-N 3.15Å; H127-K167 HydrophobicContact CB-CG 3.88Å; H127-K167 PolarHBondContact CE1-NZ 3.2Å; H127-K167 WeakPolarHBondContact NE2-CE 3.09Å; H127-K167 PolarHBondContact NE2-NZ 3.34Å
128S70.2Confident71.4Confident29 Ų29100.8 Ų100.820%0.20350%0.499CS..SBendtrans-69.6150161.1-154.20000108.5E124 M125 R166E124-S128 PolarHBondContact O-N 2.99Å; M125-S128 VanDerWaalsContact O-CB 3.27Å; M125-S128 WeakPolarHBondContact O-CB 3.34Å; M125-S128 PolarHBondContact O-N 3.25Å; S128-R166 PolarHBondContact OG-NH1 3.46Å
129R57.8Low71.1Confident190 Ų19097.1 Ų97.172%0.71748%0.482SS*.  trans-76.9139.4179.7-71.7176.5172.4169.6-5.2110.3D131R129-D131 PolarHBondContact O-N 3.29Å; R129-D131 VanDerWaalsContact O-N 3.11Å
130M49.1Very low71.2Confident168 Ų16895.5 Ų95.583%0.82847%0.47SS*.THydrogen-bonded Turntrans-713.4177.8-63.6-75.6-174.700113.8
131D52.3Low71.1Confident142 Ų142100 Ų10076%0.75950%0.499SS*.THydrogen-bonded Turntrans-106.2-12.2-175.2-56.7-58.3000113.3R129 E133R129-D131 PolarHBondContact O-N 3.29Å; R129-D131 VanDerWaalsContact O-N 3.11Å; D131-E133 PolarHBondContact O-N 2.93Å
132D53.5Low71.2Confident104 Ų10498.8 Ų98.856%0.55649%0.491SS*.  trans-97.865.8-172.3-62.2-50.2000111E134D132-E134 PolarHBondContact O-N 2.9Å; D132-E134 VanDerWaalsContact O-N 3.14Å
133E56.8Low71.2Confident187 Ų18793.1 Ų93.187%0.87447%0.47SS*.THydrogen-bonded Turntrans-64.8-10.5-174.9-67.4-172141.500115.4D131D131-E133 PolarHBondContact O-N 2.93Å
134E56.1Low71.2Confident202 Ų20295.7 Ų95.794%0.94448%0.484SS*.THydrogen-bonded Turntrans-95.2-8.7-170.3-63.1-171.6147.400115.4D132D132-E134 PolarHBondContact O-N 2.9Å; D132-E134 VanDerWaalsContact O-N 3.14Å
135E54.8Low71.2Confident134 Ų13496.9 Ų96.963%0.62649%0.493SS*.  trans-125.250.7-172.3-153.7174.6-106.300113.6E137E135-E137 HydrophobicContact CG-CG 4.38Å; E135-E137 PolarHBondContact O-N 3.13Å
136E55.2Low71.4Confident167 Ų167100.9 Ų100.978%0.7851%0.511SS*.  trans-74.661.9166.4-163.1174.6-142.600111.4G138E136-G138 PolarHBondContact O-N 3.42Å
137E62.6Low71.4Confident132 Ų13296.2 Ų96.262%0.61749%0.493SS*.  trans-66.184.1161.4-74.4-161.7150.400109.2E135 F139E135-E137 HydrophobicContact CG-CG 4.38Å; E135-E137 PolarHBondContact O-N 3.13Å; E137-F139 PolarHBondContact O-N 2.75Å
138G70Confident72Confident60 Ų6096.9 Ų96.962%0.61950%0.499SS*.PPolyproline II helixtrans-54.9123.9-175.700000112.8E136E136-G138 PolarHBondContact O-N 3.42Å
139F85Confident72.9Confident28 Ų2897.2 Ų97.212%0.12350%0.496CS..PPolyproline II helixtrans-57.4127.1178.5-71.3-100.3000110.6V121 E124 M125 E137 Y159 W160 F163V121-F139 HydrophobicContact CB-CB 4.49Å; V121-F139 HydrophobicContact CB-CD2 4.46Å; V121-F139 HydrophobicContact CB-CG 4.34Å; V121-F139 HydrophobicContact CG1-CB 4.08Å; V121-F139 HydrophobicContact CG1-CD2 3.66Å; V121-F139 HydrophobicContact CG1-CE2 4.23Å; V121-F139 HydrophobicContact CG1-CG 3.92Å; V121-F139 HydrophobicContact CG2-CB 3.54Å; V121-F139 HydrophobicContact CG2-CD1 3.78Å; V121-F139 HydrophobicContact CG2-CD2 4.18Å; V121-F139 HydrophobicContact CG2-CE1 4.5Å; V121-F139 HydrophobicContact CG2-CG 3.59Å; E124-F139 HydrophobicContact CB-CZ 4.1Å; M125-F139 HydrophobicContact CG-CE2 4.16Å; M125-F139 HydrophobicContact SD-CD2 4.43Å; M125-F139 HydrophobicContact SD-CE2 3.88Å; E137-F139 PolarHBondContact O-N 2.75Å; F139-Y159 AromaticContact CD1-CE1 3.57Å; F139-Y159 HydrophobicContact CD1-CE1 3.57Å; F139-Y159 AromaticContact CD1-CZ 3.81Å; F139-Y159 WeakPolarHBondContact CD1-OH 3.26Å; F139-Y159 AromaticContact CE1-CE1 3.96Å; F139-Y159 HydrophobicContact CE1-CE1 3.96Å; F139-Y159 VanDerWaalsContact CE1-OH 3.26Å; F139-Y159 WeakPolarHBondContact CE1-OH 3.49Å; F139-W160 HydrophobicContact CD1-CH2 4.37Å; F139-W160 HydrophobicContact CD1-CZ2 4.02Å; F139-F163 HydrophobicContact CE1-CE2 4.26Å
140P90.4Very high74.3Confident23 Ų2393 Ų9315%0.14949%0.488CS..PPolyproline II helixtrans-65.8134.4-17724-32000110.9V155 F156 Y159 W160P140-V155 HydrophobicContact CB-CG1 4.32Å; P140-F156 VanDerWaalsContact O-CD2 3.31Å; P140-F156 WeakPolarHBondContact O-CD2 3.33Å; P140-Y159 HydrophobicContact CG-CD1 4.04Å; P140-Y159 HydrophobicContact CG-CD2 4.29Å; P140-Y159 HydrophobicContact CG-CG 3.7Å; P140-W160 PolarHBondContact O-NE1 2.82Å
141P89.4Confident76.1Confident96 Ų9689.7 Ų89.762%0.62348%0.477SS*.PPolyproline II helixtrans-77.1156.5-177.831.6-36.1000112.3G143 F156P141-G143 VanDerWaalsContact C-N 3.25Å; P141-G143 PolarHBondContact O-N 2.88Å; P141-F156 WeakPolarHBondContact O-CD2 3.46Å
142F90.4Very high77.9Confident6 Ų685.1 Ų85.13%0.02645%0.454CS..  trans-72-13.7-175.5-169-126.9000115.2F109 Y110 R114 F117 F156 Y157 V215 R221F109-F142 HydrophobicContact CE1-CE1 4.32Å; F109-F142 HydrophobicContact CE1-CZ 4.03Å; Y110-F142 AromaticContact CD1-CE1 3.9Å; Y110-F142 HydrophobicContact CD1-CE1 3.9Å; R114-F142 HydrophobicContact CB-CB 4.39Å; R114-F142 HydrophobicContact CB-CD1 4.3Å; F117-F142 HydrophobicContact CD2-CD2 4.26Å; F117-F142 HydrophobicContact CD2-CG 4.44Å; F117-F142 HydrophobicContact CE2-CD2 4.39Å; F117-F142 HydrophobicContact CE2-CE2 4.38Å; F142-F156 HydrophobicContact CB-CD2 4.29Å; F142-F156 HydrophobicContact CB-CE2 4Å; F142-F156 HydrophobicContact CB-CZ 4.48Å; F142-F156 AromaticContact CD2-CD1 3.82Å; F142-F156 HydrophobicContact CD2-CD1 3.82Å; F142-F156 HydrophobicContact CD2-CD2 4.14Å; F142-F156 AromaticContact CD2-CE1 3.5Å; F142-F156 HydrophobicContact CD2-CE1 3.5Å; F142-F156 AromaticContact CD2-CE2 3.8Å; F142-F156 HydrophobicContact CD2-CE2 3.8Å; F142-F156 HydrophobicContact CD2-CG 4.17Å; F142-F156 AromaticContact CD2-CZ 3.5Å; F142-F156 HydrophobicContact CD2-CZ 3.5Å; F142-F156 HydrophobicContact CE2-CD1 4.23Å; F142-F156 AromaticContact CE2-CE1 3.82Å; F142-F156 HydrophobicContact CE2-CE1 3.82Å; F142-F156 HydrophobicContact CE2-CZ 4.17Å; F142-F156 HydrophobicContact CG-CE2 4.38Å; F142-F156 HydrophobicContact CG-CZ 4.39Å; F142-Y157 WeakPolarHBondContact CE2-OH 3.45Å; F142-V215 HydrophobicContact CE2-CG1 3.95Å; F142-V215 HydrophobicContact CZ-CG1 3.63Å; F142-R221 PolarHBondContact O-NH1 3.26Å; F142-R221 PolarHBondContact O-NH2 3.18Å; F142-R221 VanDerWaalsContact O-NH2 3.09Å
143G87.6Confident79.7Confident13 Ų1380.2 Ų80.213%0.13443%0.428CS..  trans67.9-169.3-171.600000113.4R114 P141R114-G143 PolarHBondContact NH1-O 3.27Å; R114-G143 PolarHBondContact NH2-O 2.8Å; R114-G143 VanDerWaalsContact NH2-O 3.14Å; P141-G143 VanDerWaalsContact C-N 3.25Å; P141-G143 PolarHBondContact O-N 2.88Å
144D87.3Confident81.3Confident67 Ų6775.2 Ų75.236%0.35840%0.404SS..  trans-116.6-174.1179.362.66.7000111.5D104 Q146 G147 R221D104-D144 WeakPolarHBondContact OD1-CA 3.35Å; D104-D144 WeakPolarHBondContact OD1-CB 3.46Å; D144-Q146 PolarHBondContact O-N 3.03Å; D144-Q146 PolarHBondContact OD1-N 2.87Å; D144-G147 PolarHBondContact O-N 3.33Å; D144-G147 WeakPolarHBondContact OD1-CA 3.24Å; D144-G147 PolarHBondContact OD1-N 3.27Å; D144-R221 WeakPolarHBondContact O-CD 3.2Å; D144-R221 PolarHBondContact O-NH1 3.1Å
145S87.4Confident83Confident26 Ų2669.1 Ų69.118%0.18238%0.381CS..THydrogen-bonded Turntrans-62.9-22.6-179.6640000115.2D104 Y110D104-S145 PolarHBondContact OD1-N 3.05Å; D104-S145 WeakPolarHBondContact OD2-CB 3.38Å; D104-S145 PolarHBondContact OD2-N 3.11Å; D104-S145 PolarHBondContact OD2-OG 3.38Å; Y110-S145 VanDerWaalsContact CE2-CA 3.46Å
146Q84.8Confident84.9Confident160 Ų16062.8 Ų62.875%0.74835%0.351SS*.THydrogen-bonded Turntrans-103.8-7.2-176.4-54.8-50.6-67.700113.5D144 D148D144-Q146 PolarHBondContact O-N 3.03Å; D144-Q146 PolarHBondContact OD1-N 2.87Å; Q146-D148 PolarHBondContact O-N 3.1Å
147G83.7Confident86.7Confident15 Ų1554.9 Ų54.916%0.15531%0.314CS..  trans-54.2131.1-17700000113.3D144D144-G147 PolarHBondContact O-N 3.33Å; D144-G147 WeakPolarHBondContact OD1-CA 3.24Å; D144-G147 PolarHBondContact OD1-N 3.27Å
148D87.9Confident88.2Confident86 Ų8650.8 Ų50.846%0.4630%0.303SS..  trans-58.8141.2-178.8166.658.9000112.2Q146 D150 T151 V152 V153Q146-D148 PolarHBondContact O-N 3.1Å; D148-D150 PolarHBondContact OD2-N 3.37Å; D148-D150 VanDerWaalsContact OD2-N 3.16Å; D148-T151 WeakPolarHBondContact CB-OG1 3.41Å; D148-T151 WeakPolarHBondContact OD2-CB 3.46Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.42Å; D148-T151 PolarHBondContact OD2-N 3.16Å; D148-T151 PolarHBondContact OD2-OG1 3.35Å; D148-V152 PolarHBondContact O-N 3.15Å; D148-V153 WeakPolarHBondContact O-CG2 3.45Å; D148-V153 PolarHBondContact O-N 2.99Å
149Y88.9Confident89.3Confident35 Ų3551 Ų5114%0.13729%0.286CS..Iπ-helixtrans-67.3-42.2-173.8179.1-86.4000112.2V153 H154 V222 H225Y149-V153 HydrophobicContact CD2-CB 4.17Å; Y149-V153 HydrophobicContact CD2-CG1 4.09Å; Y149-V153 HydrophobicContact CE2-CG1 4.28Å; Y149-V153 CarbonylContact O-C 3.15Å; Y149-V153 PolarHBondContact O-N 3.39Å; Y149-H154 HydrophobicContact CD1-CB 4.38Å; Y149-H154 HydrophobicContact CE1-CB 3.97Å; Y149-H154 WeakPolarHBondContact O-CB 3.49Å; Y149-H154 PolarHBondContact O-N 3.47Å; Y149-V222 HydrophobicContact CE2-CB 4.33Å; Y149-V222 HydrophobicContact CE2-CG1 4.35Å; Y149-V222 HydrophobicContact CE2-CG2 4.1Å; Y149-H225 HydrophobicContact CD1-CB 4.05Å; Y149-H225 AromaticContact CD1-CD2 3.44Å; Y149-H225 VanDerWaalsContact CD1-CD2 3.44Å; Y149-H225 WeakPolarHBondContact CD1-CD2 3.49Å; Y149-H225 AromaticContact CD1-CE1 3.8Å; Y149-H225 AromaticContact CD1-CG 3.44Å; Y149-H225 VanDerWaalsContact CD1-CG 3.44Å; Y149-H225 AromaticContact CD1-ND1 3.67Å; Y149-H225 AromaticContact CD1-NE2 3.7Å; Y149-H225 HydrophobicContact CD2-CB 3.5Å; Y149-H225 VanDerWaalsContact CD2-CB 3.5Å; Y149-H225 AromaticContact CD2-CG 3.82Å; Y149-H225 HydrophobicContact CE1-CB 4.28Å; Y149-H225 AromaticContact CE1-CD2 3.82Å; Y149-H225 AromaticContact CE1-CE1 3.37Å; Y149-H225 WeakPolarHBondContact CE1-CE1 3.23Å; Y149-H225 AromaticContact CE1-CG 3.52Å; Y149-H225 AromaticContact CE1-ND1 3.23Å; Y149-H225 WeakPolarHBondContact CE1-ND1 3.37Å; Y149-H225 AromaticContact CE1-NE2 3.76Å; Y149-H225 HydrophobicContact CE2-CB 3.72Å; Y149-H225 AromaticContact CE2-CG 3.86Å; Y149-H225 AromaticContact CE2-ND1 3.88Å; Y149-H225 HydrophobicContact CG-CB 3.68Å; Y149-H225 AromaticContact CG-CD2 3.83Å; Y149-H225 AromaticContact CG-CG 3.61Å; Y149-H225 AromaticContact CZ-CE1 3.92Å; Y149-H225 AromaticContact CZ-CG 3.72Å; Y149-H225 AromaticContact CZ-ND1 3.34Å; Y149-H225 VanDerWaalsContact CZ-ND1 3.34Å
150D87Confident89.7Confident103 Ų10349.7 Ų49.755%0.55128%0.28SS*.Iπ-helixtrans-83.4-42-169.2-161.737000112.1D148 H154D148-D150 PolarHBondContact OD2-N 3.37Å; D148-D150 VanDerWaalsContact OD2-N 3.16Å; D150-H154 IonicContact OD1-ND1 2.91Å; D150-H154 PolarHBondContact OD1-ND1 2.85Å
151T87.8Confident89.8Confident97 Ų9752.4 Ų52.460%0.59529%0.291SS*.Iπ-helixtrans-80.2-33.7-17755.50000114.3D148 V155D148-T151 WeakPolarHBondContact CB-OG1 3.41Å; D148-T151 WeakPolarHBondContact OD2-CB 3.46Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.42Å; D148-T151 PolarHBondContact OD2-N 3.16Å; D148-T151 PolarHBondContact OD2-OG1 3.35Å; T151-V155 VanDerWaalsContact O-CG2 3.32Å; T151-V155 WeakPolarHBondContact O-CG2 3.43Å
152V88.6Confident89.9Confident47 Ų4751.3 Ų51.329%0.28529%0.285SS..Iπ-helixtrans-112-58.9-176.2-176.90000111.3D148 F156D148-V152 PolarHBondContact O-N 3.15Å; V152-F156 WeakPolarHBondContact O-CB 3.49Å; V152-F156 PolarHBondContact O-N 2.82Å
153V91.4Very high90Very high0 Ų051.2 Ų51.20%029%0.285CS..Iπ-helixtrans-70-41-167.9-1740000111.7D148 Y149 Y157 R221 V222D148-V153 WeakPolarHBondContact O-CG2 3.45Å; D148-V153 PolarHBondContact O-N 2.99Å; Y149-V153 HydrophobicContact CD2-CB 4.17Å; Y149-V153 HydrophobicContact CD2-CG1 4.09Å; Y149-V153 HydrophobicContact CE2-CG1 4.28Å; Y149-V153 CarbonylContact O-C 3.15Å; Y149-V153 PolarHBondContact O-N 3.39Å; V153-Y157 HydrophobicContact CG1-CD2 3.62Å; V153-Y157 HydrophobicContact CG1-CE2 3.43Å; V153-Y157 VanDerWaalsContact CG1-CE2 3.43Å; V153-Y157 WeakPolarHBondContact O-CD2 3.5Å; V153-Y157 PolarHBondContact O-N 3.46Å; V153-R221 HydrophobicContact CG1-CB 4.41Å; V153-R221 HydrophobicContact CG2-CB 4.13Å; V153-R221 HydrophobicContact CG2-CG 4.48Å; V153-V222 HydrophobicContact CG1-CG2 3.82Å
154H90.9Very high90.1Very high82 Ų8254.4 Ų54.438%0.3830%0.304SS..Iπ-helixtrans-68.3-46.4178.4174.5-136.5000111.4Y149 D150 F156 Y157 A158Y149-H154 HydrophobicContact CD1-CB 4.38Å; Y149-H154 HydrophobicContact CE1-CB 3.97Å; Y149-H154 WeakPolarHBondContact O-CB 3.49Å; Y149-H154 PolarHBondContact O-N 3.47Å; D150-H154 IonicContact OD1-ND1 2.91Å; D150-H154 PolarHBondContact OD1-ND1 2.85Å; H154-F156 PolarHBondContact O-N 3.32Å; H154-Y157 PolarHBondContact O-N 3.45Å; H154-A158 VanDerWaalsContact O-CB 3.28Å; H154-A158 WeakPolarHBondContact O-CB 3.49Å; H154-A158 PolarHBondContact O-N 2.97Å
155V92Very high90.2Very high75 Ų7551.6 Ų51.646%0.45529%0.289SS..Hα-helixtrans-58.5-47.1175.6179.30000111P140 T151 A158 Y159P140-V155 HydrophobicContact CB-CG1 4.32Å; T151-V155 VanDerWaalsContact O-CG2 3.32Å; T151-V155 WeakPolarHBondContact O-CG2 3.43Å; V155-A158 PolarHBondContact O-N 2.95Å; V155-Y159 PolarHBondContact O-N 3.34Å
156F94.2Very high90.1Very high1 Ų154.4 Ų54.40%0.00430%0.296CS..Hα-helixtrans-53.6-58172.4175.1-87.3000111.3F117 P140 P141 F142 V152 H154 A158 Y159 W160F117-F156 HydrophobicContact CD1-CZ 4.09Å; F117-F156 HydrophobicContact CD2-CE2 4.22Å; F117-F156 AromaticContact CD2-CZ 3.58Å; F117-F156 HydrophobicContact CD2-CZ 3.58Å; F117-F156 HydrophobicContact CE1-CZ 4.17Å; F117-F156 HydrophobicContact CE2-CE1 4.26Å; F117-F156 AromaticContact CE2-CZ 3.67Å; F117-F156 HydrophobicContact CE2-CZ 3.67Å; F117-F156 HydrophobicContact CG-CE2 4.22Å; F117-F156 AromaticContact CG-CZ 3.83Å; F117-F156 HydrophobicContact CG-CZ 3.83Å; F117-F156 HydrophobicContact CZ-CE1 4.48Å; F117-F156 AromaticContact CZ-CZ 3.98Å; F117-F156 HydrophobicContact CZ-CZ 3.98Å; P140-F156 VanDerWaalsContact O-CD2 3.31Å; P140-F156 WeakPolarHBondContact O-CD2 3.33Å; P141-F156 WeakPolarHBondContact O-CD2 3.46Å; F142-F156 HydrophobicContact CB-CD2 4.29Å; F142-F156 HydrophobicContact CB-CE2 4Å; F142-F156 HydrophobicContact CB-CZ 4.48Å; F142-F156 AromaticContact CD2-CD1 3.82Å; F142-F156 HydrophobicContact CD2-CD1 3.82Å; F142-F156 HydrophobicContact CD2-CD2 4.14Å; F142-F156 AromaticContact CD2-CE1 3.5Å; F142-F156 HydrophobicContact CD2-CE1 3.5Å; F142-F156 AromaticContact CD2-CE2 3.8Å; F142-F156 HydrophobicContact CD2-CE2 3.8Å; F142-F156 HydrophobicContact CD2-CG 4.17Å; F142-F156 AromaticContact CD2-CZ 3.5Å; F142-F156 HydrophobicContact CD2-CZ 3.5Å; F142-F156 HydrophobicContact CE2-CD1 4.23Å; F142-F156 AromaticContact CE2-CE1 3.82Å; F142-F156 HydrophobicContact CE2-CE1 3.82Å; F142-F156 HydrophobicContact CE2-CZ 4.17Å; F142-F156 HydrophobicContact CG-CE2 4.38Å; F142-F156 HydrophobicContact CG-CZ 4.39Å; V152-F156 WeakPolarHBondContact O-CB 3.49Å; V152-F156 PolarHBondContact O-N 2.82Å; H154-F156 PolarHBondContact O-N 3.32Å; F156-A158 VanDerWaalsContact C-N 3.3Å; F156-A158 PolarHBondContact O-N 2.86Å; F156-Y159 PolarHBondContact O-N 2.95Å; F156-W160 AromaticContact CD2-CD1 3.4Å; F156-W160 HydrophobicContact CD2-CG 4.41Å; F156-W160 AromaticContact CD2-NE1 3.61Å; F156-W160 HydrophobicContact CE1-CB 4.15Å; F156-W160 AromaticContact CE1-CD1 3.93Å; F156-W160 HydrophobicContact CE1-CG 4.11Å; F156-W160 AromaticContact CE2-CD1 3.16Å; F156-W160 HydrophobicContact CE2-CD2 4.35Å; F156-W160 AromaticContact CE2-CE2 3.95Å; F156-W160 AromaticContact CE2-CG 3.9Å; F156-W160 HydrophobicContact CE2-CG 3.9Å; F156-W160 AromaticContact CE2-NE1 3.19Å; F156-W160 AromaticContact CG-CD1 3.88Å; F156-W160 HydrophobicContact CZ-CB 4.2Å; F156-W160 AromaticContact CZ-CD1 3.42Å; F156-W160 VanDerWaalsContact CZ-CD1 3.42Å; F156-W160 HydrophobicContact CZ-CD2 4.22Å; F156-W160 AromaticContact CZ-CG 3.7Å; F156-W160 HydrophobicContact CZ-CG 3.7Å; F156-W160 AromaticContact CZ-NE1 3.78Å; F156-W160 WeakPolarHBondContact O-CB 3.35Å; F156-W160 VanDerWaalsContact O-CD1 3.26Å; F156-W160 PolarHBondContact O-N 3.15Å
157Y94Very high90.1Very high1 Ų147 Ų470%0.00426%0.261CS..Hα-helixtrans-67.9-28.4-175.4-75.6-60.4000112.9F142 V153 H154 Q161 V212 R216 D219 V222F142-Y157 WeakPolarHBondContact CE2-OH 3.45Å; V153-Y157 HydrophobicContact CG1-CD2 3.62Å; V153-Y157 HydrophobicContact CG1-CE2 3.43Å; V153-Y157 VanDerWaalsContact CG1-CE2 3.43Å; V153-Y157 WeakPolarHBondContact O-CD2 3.5Å; V153-Y157 PolarHBondContact O-N 3.46Å; H154-Y157 PolarHBondContact O-N 3.45Å; Y157-Q161 VanDerWaalsContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CB 3.26Å; Y157-Q161 WeakPolarHBondContact O-CG 3.47Å; Y157-Q161 PolarHBondContact O-N 3.42Å; Y157-Q161 PolarHBondContact O-NE2 2.87Å; Y157-V212 HydrophobicContact CD1-CG1 3.77Å; Y157-V212 HydrophobicContact CE1-CG1 4.22Å; Y157-R216 HydrophobicContact CD1-CB 3.8Å; Y157-R216 HydrophobicContact CD1-CG 3.95Å; Y157-R216 HydrophobicContact CD2-CG 4.2Å; Y157-R216 HydrophobicContact CE1-CB 3.53Å; Y157-R216 HydrophobicContact CE1-CG 4.03Å; Y157-R216 HydrophobicContact CE2-CG 4.3Å; Y157-R216 HydrophobicContact CG-CB 4.42Å; Y157-R216 HydrophobicContact CG-CG 4.06Å; Y157-D219 WeakPolarHBondContact CE2-OD2 3.44Å; Y157-D219 WeakPolarHBondContact OH-CB 3.31Å; Y157-D219 PolarHBondContact OH-OD2 2.99Å; Y157-V222 HydrophobicContact CD2-CG2 3.88Å; Y157-V222 HydrophobicContact CE2-CG2 3.34Å
158A93.1Very high90.1Very high46 Ų4650.5 Ų50.538%0.3828%0.277SS..Hα-helixtrans-63.3-49.1175.900000111.2H154 V155 F156 S162H154-A158 VanDerWaalsContact O-CB 3.28Å; H154-A158 WeakPolarHBondContact O-CB 3.49Å; H154-A158 PolarHBondContact O-N 2.97Å; V155-A158 PolarHBondContact O-N 2.95Å; F156-A158 VanDerWaalsContact C-N 3.3Å; F156-A158 PolarHBondContact O-N 2.86Å; A158-S162 PolarHBondContact O-OG 2.93Å
159Y93.3Very high90Very high63 Ų6347 Ų4725%0.24726%0.257CS..Hα-helixtrans-63.7-52.1174.4-175.5-82.4000111.7F139 P140 V155 F156 Q161 S162 F163F139-Y159 AromaticContact CD1-CE1 3.57Å; F139-Y159 HydrophobicContact CD1-CE1 3.57Å; F139-Y159 AromaticContact CD1-CZ 3.81Å; F139-Y159 WeakPolarHBondContact CD1-OH 3.26Å; F139-Y159 AromaticContact CE1-CE1 3.96Å; F139-Y159 HydrophobicContact CE1-CE1 3.96Å; F139-Y159 VanDerWaalsContact CE1-OH 3.26Å; F139-Y159 WeakPolarHBondContact CE1-OH 3.49Å; P140-Y159 HydrophobicContact CG-CD1 4.04Å; P140-Y159 HydrophobicContact CG-CD2 4.29Å; P140-Y159 HydrophobicContact CG-CG 3.7Å; V155-Y159 PolarHBondContact O-N 3.34Å; F156-Y159 PolarHBondContact O-N 2.95Å; Y159-Q161 VanDerWaalsContact C-N 3.28Å; Y159-Q161 PolarHBondContact O-N 3.48Å; Y159-S162 CarbonylContact O-C 3.59Å; Y159-S162 PolarHBondContact O-N 3.09Å; Y159-S162 PolarHBondContact O-OG 3.4Å; Y159-F163 HydrophobicContact CE1-CD2 4.46Å; Y159-F163 PolarHBondContact O-N 3.49Å
160W93.5Very high89.9Confident1 Ų147.6 Ų47.60%0.00427%0.269CS..Hα-helixtrans-72.4-17.8-171.7-77.596.7000114.1F117 I120 V121 F139 P140 F156 F163 V208 V212F117-W160 HydrophobicContact CB-CZ2 4.36Å; F117-W160 HydrophobicContact CD1-CD2 4.02Å; F117-W160 AromaticContact CD1-CE3 3.82Å; F117-W160 HydrophobicContact CD1-CE3 3.82Å; F117-W160 AromaticContact CD1-CH2 3.91Å; F117-W160 HydrophobicContact CD1-CH2 3.91Å; F117-W160 HydrophobicContact CD1-CZ2 4.1Å; F117-W160 AromaticContact CD1-CZ3 3.77Å; F117-W160 HydrophobicContact CD1-CZ3 3.77Å; F117-W160 HydrophobicContact CE1-CD2 4.24Å; F117-W160 AromaticContact CE1-CE3 3.91Å; F117-W160 HydrophobicContact CE1-CE3 3.91Å; F117-W160 HydrophobicContact CE1-CZ3 4.19Å; I120-W160 HydrophobicContact CB-CH2 4.22Å; I120-W160 HydrophobicContact CB-CZ3 4.5Å; I120-W160 HydrophobicContact CG2-CH2 3.88Å; I120-W160 HydrophobicContact CG2-CZ3 3.88Å; V121-W160 HydrophobicContact CG2-CH2 3.89Å; V121-W160 HydrophobicContact CG2-CZ2 3.59Å; F139-W160 HydrophobicContact CD1-CH2 4.37Å; F139-W160 HydrophobicContact CD1-CZ2 4.02Å; P140-W160 PolarHBondContact O-NE1 2.82Å; F156-W160 AromaticContact CD2-CD1 3.4Å; F156-W160 HydrophobicContact CD2-CG 4.41Å; F156-W160 AromaticContact CD2-NE1 3.61Å; F156-W160 HydrophobicContact CE1-CB 4.15Å; F156-W160 AromaticContact CE1-CD1 3.93Å; F156-W160 HydrophobicContact CE1-CG 4.11Å; F156-W160 AromaticContact CE2-CD1 3.16Å; F156-W160 HydrophobicContact CE2-CD2 4.35Å; F156-W160 AromaticContact CE2-CE2 3.95Å; F156-W160 AromaticContact CE2-CG 3.9Å; F156-W160 HydrophobicContact CE2-CG 3.9Å; F156-W160 AromaticContact CE2-NE1 3.19Å; F156-W160 AromaticContact CG-CD1 3.88Å; F156-W160 HydrophobicContact CZ-CB 4.2Å; F156-W160 AromaticContact CZ-CD1 3.42Å; F156-W160 VanDerWaalsContact CZ-CD1 3.42Å; F156-W160 HydrophobicContact CZ-CD2 4.22Å; F156-W160 AromaticContact CZ-CG 3.7Å; F156-W160 HydrophobicContact CZ-CG 3.7Å; F156-W160 AromaticContact CZ-NE1 3.78Å; F156-W160 WeakPolarHBondContact O-CB 3.35Å; F156-W160 VanDerWaalsContact O-CD1 3.26Å; F156-W160 PolarHBondContact O-N 3.15Å; W160-F163 HydrophobicContact CE3-CB 4.31Å; W160-F163 AromaticContact CE3-CD2 3.66Å; W160-F163 HydrophobicContact CE3-CD2 3.66Å; W160-F163 HydrophobicContact CE3-CE2 4.26Å; W160-F163 HydrophobicContact CE3-CG 4.11Å; W160-F163 HydrophobicContact CH2-CD2 4.23Å; W160-F163 HydrophobicContact CH2-CE2 4.12Å; W160-F163 AromaticContact CZ3-CD2 3.48Å; W160-F163 HydrophobicContact CZ3-CD2 3.48Å; W160-F163 VanDerWaalsContact CZ3-CD2 3.48Å; W160-F163 AromaticContact CZ3-CE2 3.6Å; W160-F163 HydrophobicContact CZ3-CE2 3.6Å; W160-F163 HydrophobicContact CZ3-CG 4.22Å; W160-F163 HydrophobicContact CZ3-CZ 4.42Å; W160-F163 WeakPolarHBondContact O-CB 3.47Å; W160-V208 HydrophobicContact CE3-CG1 3.89Å; W160-V208 HydrophobicContact CZ3-CG1 3.93Å; W160-V212 HydrophobicContact CB-CB 4.49Å; W160-V212 HydrophobicContact CB-CG1 3.88Å; W160-V212 HydrophobicContact CB-CG2 3.75Å; W160-V212 HydrophobicContact CE3-CG2 4.35Å
161Q93.1Very high89.8Confident81 Ų8146.4 Ų46.438%0.37926%0.257SS..Hα-helixtrans-76.2-27.4168-75.9171.1108.100113.2Y157 Y159 V212Y157-Q161 VanDerWaalsContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CB 3.26Å; Y157-Q161 WeakPolarHBondContact O-CG 3.47Å; Y157-Q161 PolarHBondContact O-N 3.42Å; Y157-Q161 PolarHBondContact O-NE2 2.87Å; Y159-Q161 VanDerWaalsContact C-N 3.28Å; Y159-Q161 PolarHBondContact O-N 3.48Å; Q161-V212 HydrophobicContact CG-CG1 4.06Å
162S92.1Very high89.6Confident73 Ų7345.4 Ų45.451%0.5125%0.245SC..Hα-helixtrans-94-15.2176.965.40000113.4A158 Y159 C164 R209A158-S162 PolarHBondContact O-OG 2.93Å; Y159-S162 CarbonylContact O-C 3.59Å; Y159-S162 PolarHBondContact O-N 3.09Å; Y159-S162 PolarHBondContact O-OG 3.4Å; S162-C164 PolarHBondContact O-SG 3.41Å; S162-R209 PolarHBondContact O-NH2 2.96Å
163F92.3Very high89.6Confident4 Ų446.1 Ų46.12%0.01825%0.245CC..  trans-23.7128.9179.3176.4-89.9000115.1I120 E124 F139 Y159 W160 V208 R209I120-F163 HydrophobicContact CG2-CE2 4.41Å; I120-F163 HydrophobicContact CG2-CZ 4.26Å; E124-F163 HydrophobicContact CG-CE2 4.12Å; E124-F163 HydrophobicContact CG-CZ 3.85Å; F139-F163 HydrophobicContact CE1-CE2 4.26Å; Y159-F163 HydrophobicContact CE1-CD2 4.46Å; Y159-F163 PolarHBondContact O-N 3.49Å; W160-F163 HydrophobicContact CE3-CB 4.31Å; W160-F163 AromaticContact CE3-CD2 3.66Å; W160-F163 HydrophobicContact CE3-CD2 3.66Å; W160-F163 HydrophobicContact CE3-CE2 4.26Å; W160-F163 HydrophobicContact CE3-CG 4.11Å; W160-F163 HydrophobicContact CH2-CD2 4.23Å; W160-F163 HydrophobicContact CH2-CE2 4.12Å; W160-F163 AromaticContact CZ3-CD2 3.48Å; W160-F163 HydrophobicContact CZ3-CD2 3.48Å; W160-F163 VanDerWaalsContact CZ3-CD2 3.48Å; W160-F163 AromaticContact CZ3-CE2 3.6Å; W160-F163 HydrophobicContact CZ3-CE2 3.6Å; W160-F163 HydrophobicContact CZ3-CG 4.22Å; W160-F163 HydrophobicContact CZ3-CZ 4.42Å; W160-F163 WeakPolarHBondContact O-CB 3.47Å; F163-V208 HydrophobicContact CB-CG1 4.33Å; F163-V208 HydrophobicContact CD1-CB 3.77Å; F163-V208 HydrophobicContact CD1-CG1 3.51Å; F163-V208 HydrophobicContact CD1-CG2 4.19Å; F163-V208 HydrophobicContact CD2-CG1 4.35Å; F163-V208 HydrophobicContact CE1-CB 3.9Å; F163-V208 HydrophobicContact CE1-CG1 3.85Å; F163-V208 HydrophobicContact CE1-CG2 3.78Å; F163-V208 HydrophobicContact CG-CG1 3.8Å; F163-V208 HydrophobicContact CZ-CG1 4.39Å; F163-V208 HydrophobicContact CZ-CG2 4.38Å; F163-R209 VanDerWaalsContact O-CZ 3.25Å; F163-R209 PolarHBondContact O-NE 3.42Å; F163-R209 PolarHBondContact O-NH2 2.83Å
164C89.8Confident89.4Confident80 Ų8052.9 Ų52.954%0.54128%0.277SS..  trans-131.7120.7172.4-68.70000109.9S162 R166 R209S162-C164 PolarHBondContact O-SG 3.41Å; C164-R166 PolarHBondContact O-N 2.77Å; C164-R209 PolarHBondContact SG-NH2 3.33Å
165T89.3Confident89.3Confident7 Ų754.1 Ų54.14%0.04328%0.279CS..  trans-58.7133.9174.6-177.70000111.7E124 K167 F169 R201 R204 N205E124-T165 WeakPolarHBondContact OE1-CB 3.34Å; E124-T165 PolarHBondContact OE1-OG1 3Å; E124-T165 WeakPolarHBondContact OE2-CA 3.26Å; E124-T165 WeakPolarHBondContact OE2-CB 3.26Å; E124-T165 PolarHBondContact OE2-OG1 3.07Å; T165-K167 HydrophobicContact CG2-CB 4.43Å; T165-K167 PolarHBondContact O-N 3.26Å; T165-K167 VanDerWaalsContact OG1-CB 3.32Å; T165-K167 WeakPolarHBondContact OG1-CB 3.38Å; T165-K167 WeakPolarHBondContact OG1-CG 3.39Å; T165-K167 PolarHBondContact OG1-N 3.08Å; T165-F169 HydrophobicContact CG2-CE2 3.72Å; T165-F169 HydrophobicContact CG2-CZ 4.19Å; T165-R201 HydrophobicContact CG2-CG 3.6Å; T165-R204 HydrophobicContact CG2-CB 4.49Å; T165-R204 HydrophobicContact CG2-CG 4.26Å; T165-N205 WeakPolarHBondContact CG2-OD1 3.27Å; T165-N205 PolarHBondContact N-OD1 3.18Å
166R84Confident89.1Confident85 Ų8553.8 Ų53.832%0.32127%0.274SS..  trans-72.5-13.9173.1-63.8-175.1177-164-1.7110.9E124 S128 C164E124-R166 PolarHBondContact OE2-N 3.38Å; S128-R166 PolarHBondContact OG-NH1 3.46Å; C164-R166 PolarHBondContact O-N 2.77Å
167K84.8Confident88.5Confident5 Ų555.3 Ų55.32%0.02228%0.284CS..  trans-57.9136.3-178-65.2-167.9174.6-142.30114.5E123 H127 T165 F169 W171 R201E123-K167 WeakPolarHBondContact OE1-CE 3.43Å; E123-K167 IonicContact OE1-NZ 2.69Å; E123-K167 PolarHBondContact OE1-NZ 3.48Å; H127-K167 HydrophobicContact CB-CG 3.88Å; H127-K167 PolarHBondContact CE1-NZ 3.2Å; H127-K167 WeakPolarHBondContact NE2-CE 3.09Å; H127-K167 PolarHBondContact NE2-NZ 3.34Å; T165-K167 HydrophobicContact CG2-CB 4.43Å; T165-K167 PolarHBondContact O-N 3.26Å; T165-K167 VanDerWaalsContact OG1-CB 3.32Å; T165-K167 WeakPolarHBondContact OG1-CB 3.38Å; T165-K167 WeakPolarHBondContact OG1-CG 3.39Å; T165-K167 PolarHBondContact OG1-N 3.08Å; K167-F169 HydrophobicContact CB-CD2 4.02Å; K167-F169 HydrophobicContact CB-CE1 4.46Å; K167-F169 HydrophobicContact CB-CE2 3.5Å; K167-F169 HydrophobicContact CB-CZ 3.76Å; K167-F169 HydrophobicContact CD-CZ 4.22Å; K167-F169 WeakPolarHBondContact O-CD2 3.22Å; K167-W171 HydrophobicContact CB-CH2 4.39Å; K167-W171 HydrophobicContact CD-CH2 4.21Å; K167-R201 PolarHBondContact O-NE 3.24Å; K167-R201 PolarHBondContact O-NH2 2.93Å
168N83.4Confident88.3Confident89 Ų8965.7 Ų65.748%0.47632%0.323SS..  trans-86.6-22.2-179.367.449.5000114.4A170 R197 R201N168-A170 VanDerWaalsContact C-N 3.26Å; N168-A170 PolarHBondContact O-N 3.13Å; N168-A170 VanDerWaalsContact OD1-CB 3.31Å; N168-A170 WeakPolarHBondContact OD1-CB 3.49Å; N168-A170 PolarHBondContact OD1-N 2.99Å; N168-R197 WeakPolarHBondContact O-CD 3.5Å; N168-R201 PolarHBondContact O-NH2 3.45Å
169F87.2Confident88.1Confident11 Ų1170.8 Ų70.85%0.04834%0.339CS..  trans55.426.8-177-62.3-82.7000115.8T165 K167 W171 K172 R197 A200 R201 R204T165-F169 HydrophobicContact CG2-CE2 3.72Å; T165-F169 HydrophobicContact CG2-CZ 4.19Å; K167-F169 HydrophobicContact CB-CD2 4.02Å; K167-F169 HydrophobicContact CB-CE1 4.46Å; K167-F169 HydrophobicContact CB-CE2 3.5Å; K167-F169 HydrophobicContact CB-CZ 3.76Å; K167-F169 HydrophobicContact CD-CZ 4.22Å; K167-F169 WeakPolarHBondContact O-CD2 3.22Å; F169-W171 HydrophobicContact CD1-CH2 4.14Å; F169-W171 AromaticContact CD1-CZ2 3.77Å; F169-W171 HydrophobicContact CD1-CZ2 3.77Å; F169-W171 HydrophobicContact CE1-CZ2 4.11Å; F169-W171 PolarHBondContact O-N 3.3Å; F169-W171 VanDerWaalsContact O-N 3.08Å; F169-K172 HydrophobicContact CB-CB 4.47Å; F169-K172 HydrophobicContact CB-CG 4.21Å; F169-K172 HydrophobicContact CD1-CG 4.25Å; F169-K172 WeakPolarHBondContact O-CB 3.31Å; F169-K172 PolarHBondContact O-N 2.98Å; F169-R197 HydrophobicContact CB-CB 4.45Å; F169-R197 HydrophobicContact CB-CG 4.19Å; F169-R197 WeakPolarHBondContact O-CG 3.1Å; F169-A200 HydrophobicContact CB-CB 4.15Å; F169-A200 HydrophobicContact CD1-CB 3.87Å; F169-A200 HydrophobicContact CE1-CB 4.46Å; F169-A200 HydrophobicContact CG-CB 3.92Å; F169-R201 HydrophobicContact CD2-CB 3.87Å; F169-R201 HydrophobicContact CE2-CB 3.86Å; F169-R201 HydrophobicContact CE2-CG 4.21Å; F169-R204 HydrophobicContact CZ-CB 3.8Å; F169-R204 HydrophobicContact CZ-CG 4.13Å
170A86.4Confident87.8Confident48 Ų4869.1 Ų69.140%0.39734%0.338SS..G310 helixtrans-57.2-25.9-178.900000114.1N168 K172 E173N168-A170 VanDerWaalsContact C-N 3.26Å; N168-A170 PolarHBondContact O-N 3.13Å; N168-A170 VanDerWaalsContact OD1-CB 3.31Å; N168-A170 WeakPolarHBondContact OD1-CB 3.49Å; N168-A170 PolarHBondContact OD1-N 2.99Å; A170-K172 PolarHBondContact O-N 2.97Å; A170-E173 WeakPolarHBondContact O-CB 3.39Å; A170-E173 WeakPolarHBondContact O-CG 3.4Å; A170-E173 PolarHBondContact O-N 3.46Å
171W84.2Confident87.5Confident79 Ų7973.1 Ų73.130%0.29937%0.367SS..G310 helixtrans-73.1-7.9173.963.1106.9000114.3Y83 D85 K167 F169Y83-W171 AromaticContact CE1-CD1 3.93Å; D85-W171 PolarHBondContact OD2-NE1 2.86Å; D85-W171 VanDerWaalsContact OD2-NE1 3.13Å; K167-W171 HydrophobicContact CB-CH2 4.39Å; K167-W171 HydrophobicContact CD-CH2 4.21Å; F169-W171 HydrophobicContact CD1-CH2 4.14Å; F169-W171 AromaticContact CD1-CZ2 3.77Å; F169-W171 HydrophobicContact CD1-CZ2 3.77Å; F169-W171 HydrophobicContact CE1-CZ2 4.11Å; F169-W171 PolarHBondContact O-N 3.3Å; F169-W171 VanDerWaalsContact O-N 3.08Å
172K84.5Confident87.4Confident75 Ų7574.3 Ų74.333%0.32638%0.375SS..G310 helixtrans-98.516.3172.2-51.1-62.1-173.3-172.40112.3D85 F169 A170 T196 A200D85-K172 WeakPolarHBondContact OD2-CE 3.5Å; D85-K172 IonicContact OD2-NZ 3.7Å; D85-K172 PolarHBondContact OD2-NZ 3.07Å; F169-K172 HydrophobicContact CB-CB 4.47Å; F169-K172 HydrophobicContact CB-CG 4.21Å; F169-K172 HydrophobicContact CD1-CG 4.25Å; F169-K172 WeakPolarHBondContact O-CB 3.31Å; F169-K172 PolarHBondContact O-N 2.98Å; A170-K172 PolarHBondContact O-N 2.97Å; K172-T196 VanDerWaalsContact O-CB 3.3Å; K172-T196 WeakPolarHBondContact O-CB 3.5Å; K172-T196 PolarHBondContact O-OG1 3.39Å; K172-A200 HydrophobicContact CB-CB 4.4Å; K172-A200 HydrophobicContact CG-CB 4.12Å
173E88.6Confident87.4Confident62 Ų6279.9 Ų79.929%0.2939%0.385SS..  trans-83.5114.4172.4-70.3-167.9-133.900110.4A170 N193 R197A170-E173 WeakPolarHBondContact O-CB 3.39Å; A170-E173 WeakPolarHBondContact O-CG 3.4Å; A170-E173 PolarHBondContact O-N 3.46Å; E173-N193 HydrophobicContact CB-CB 4.18Å; E173-N193 HydrophobicContact CG-CB 3.83Å; E173-N193 VanDerWaalsContact OE2-CB 3.27Å; E173-N193 WeakPolarHBondContact OE2-CB 3.48Å; E173-N193 PolarHBondContact OE2-ND2 2.8Å; E173-R197 HydrophobicContact CG-CG 3.96Å; E173-R197 WeakPolarHBondContact OE1-CD 3.49Å; E173-R197 IonicContact OE1-CZ 2.72Å; E173-R197 IonicContact OE1-NE 2.76Å; E173-R197 PolarHBondContact OE1-NE 2.95Å; E173-R197 IonicContact OE1-NH1 3.38Å; E173-R197 PolarHBondContact OE1-NH1 2.61Å; E173-R197 IonicContact OE1-NH2 3.53Å; E173-R197 IonicContact OE2-CZ 3.49Å; E173-R197 IonicContact OE2-NH1 3.53Å; E173-R197 IonicContact OE2-NH2 3.4Å
174E87.3Confident87.4Confident143 Ų14389.5 Ų89.567%0.66842%0.422SS*.  trans-78.3-26.4-174.9-68.3171.8-170.300113.5T196E174-T196 HydrophobicContact CG-CG2 4.26Å
175Y87.4Confident87.5Confident108 Ų10889.5 Ų89.542%0.42441%0.413SS..SBendtrans-114.6123.5-172.3-60.1-95.2000111.7T177 M189 E192 N193Y175-T177 PolarHBondContact O-N 3.17Å; Y175-T177 VanDerWaalsContact O-N 3.14Å; Y175-M189 HydrophobicContact CD1-CG 3.86Å; Y175-M189 HydrophobicContact CD1-SD 3.8Å; Y175-M189 HydrophobicContact CG-CB 4.23Å; Y175-M189 HydrophobicContact CG-CG 3.96Å; Y175-M189 HydrophobicContact CG-SD 4.16Å; Y175-E192 HydrophobicContact CD2-CB 4.39Å; Y175-E192 HydrophobicContact CE2-CB 4.25Å; Y175-N193 WeakPolarHBondContact CB-OD1 3.18Å; Y175-N193 WeakPolarHBondContact CD2-OD1 3.45Å; Y175-N193 PolarHBondContact N-OD1 2.86Å; Y175-N193 VanDerWaalsContact N-OD1 3.08Å; Y175-N193 PolarHBondContact O-ND2 3Å
176D87.8Confident87.6Confident67 Ų6792.9 Ų92.936%0.35843%0.428SS..  trans-72.7109.2168.2178.97.6000110.3R178 Q179D176-R178 PolarHBondContact O-N 2.88Å; D176-R178 WeakPolarHBondContact OD1-CB 3.48Å; D176-R178 WeakPolarHBondContact OD1-CD 3.3Å; D176-R178 VanDerWaalsContact OD1-CG 3.23Å; D176-R178 WeakPolarHBondContact OD1-CG 3.22Å; D176-R178 PolarHBondContact OD1-N 3.22Å; D176-Q179 HydrophobicContact CB-CG 3.97Å; D176-Q179 PolarHBondContact O-N 3.07Å; D176-Q179 PolarHBondContact OD2-NE2 3.31Å
177T83.5Confident88Confident34 Ų3495 Ų9521%0.20944%0.436CS..G310 helixtrans-61.5-11.1179.571.60000114.1Y175 K186 E190Y175-T177 PolarHBondContact O-N 3.17Å; Y175-T177 VanDerWaalsContact O-N 3.14Å; T177-K186 WeakPolarHBondContact O-CE 3.45Å; T177-E190 HydrophobicContact CG2-CG 3.79Å
178R88.8Confident88.4Confident218 Ų21897 Ų9782%0.82345%0.453SS*.G310 helixtrans-77-23.1172.5-58.5166174.4173.3-1.2113.1D176 A180D176-R178 PolarHBondContact O-N 2.88Å; D176-R178 WeakPolarHBondContact OD1-CB 3.48Å; D176-R178 WeakPolarHBondContact OD1-CD 3.3Å; D176-R178 VanDerWaalsContact OD1-CG 3.23Å; D176-R178 WeakPolarHBondContact OD1-CG 3.22Å; D176-R178 PolarHBondContact OD1-N 3.22Å; R178-A180 PolarHBondContact O-N 3.32Å
179Q88.6Confident88.8Confident153 Ų15394 Ų9472%0.71544%0.436SS*.G310 helixtrans-83.43.9-177.4-59.8-179.527.500113.2D176 S181D176-Q179 HydrophobicContact CB-CG 3.97Å; D176-Q179 PolarHBondContact O-N 3.07Å; D176-Q179 PolarHBondContact OD2-NE2 3.31Å; Q179-S181 PolarHBondContact O-N 3.07Å
180A88.1Confident89.1Confident28 Ų2896.9 Ų96.923%0.23145%0.45CS..  trans-65.6122.9-179.900000112.3R178 N182 K186 M189R178-A180 PolarHBondContact O-N 3.32Å; A180-N182 VanDerWaalsContact C-N 3.25Å; A180-N182 PolarHBondContact O-N 2.7Å; A180-K186 HydrophobicContact CB-CB 3.56Å; A180-K186 HydrophobicContact CB-CG 4.05Å; A180-M189 HydrophobicContact CB-CE 3.47Å; A180-M189 VanDerWaalsContact CB-CE 3.47Å
181S86.3Confident89.5Confident86 Ų86101.6 Ų101.660%0.60146%0.462SS*.SBendtrans-67.2-28.2169.272.30000112.3Q179 E185Q179-S181 PolarHBondContact O-N 3.07Å; S181-E185 WeakPolarHBondContact CA-OE2 3.27Å; S181-E185 VanDerWaalsContact CB-OE2 3.26Å; S181-E185 WeakPolarHBondContact CB-OE2 3.42Å; S181-E185 PolarHBondContact N-OE2 3.39Å; S181-E185 PolarHBondContact OG-OE2 2.9Å
182N91.6Very high89.9Confident105 Ų105101 Ų10156%0.56146%0.462SS*.SBendtrans-143.8150.7-168.9-82.2-83.1000113.3A180 W184 E185 K186A180-N182 VanDerWaalsContact C-N 3.25Å; A180-N182 PolarHBondContact O-N 2.7Å; N182-W184 PolarHBondContact O-N 2.71Å; N182-E185 HydrophobicContact CB-CB 4.27Å; N182-E185 WeakPolarHBondContact O-CB 3.41Å; N182-E185 PolarHBondContact O-N 3.45Å; N182-E185 VanDerWaalsContact O-N 3.08Å; N182-K186 PolarHBondContact O-N 3.44Å
183R92Very high90.3Very high191 Ų19197.4 Ų97.472%0.72145%0.447SS*.Hα-helixtrans-58.1-31.4176.9-170.7-174.7-174.1-160.37.8113.6R187R183-R187 WeakPolarHBondContact O-CG 3.49Å; R183-R187 PolarHBondContact O-N 2.98Å
184W91.1Very high90.5Very high206 Ų20699.7 Ų99.778%0.7846%0.455SS*.Hα-helixtrans-70.8-44.9175.6-179.4-94.9000111.7N182 R187 A188N182-W184 PolarHBondContact O-N 2.71Å; W184-R187 PolarHBondContact O-N 2.9Å; W184-A188 PolarHBondContact O-N 3.23Å
185E91.9Very high90.9Very high79 Ų7998.4 Ų98.437%0.36945%0.448SS..Hα-helixtrans-64.2-42.7176.5-176.4175-120.900111.5S181 N182 R187 A188 M189S181-E185 WeakPolarHBondContact CA-OE2 3.27Å; S181-E185 VanDerWaalsContact CB-OE2 3.26Å; S181-E185 WeakPolarHBondContact CB-OE2 3.42Å; S181-E185 PolarHBondContact N-OE2 3.39Å; S181-E185 PolarHBondContact OG-OE2 2.9Å; N182-E185 HydrophobicContact CB-CB 4.27Å; N182-E185 WeakPolarHBondContact O-CB 3.41Å; N182-E185 PolarHBondContact O-N 3.45Å; N182-E185 VanDerWaalsContact O-N 3.08Å; E185-R187 VanDerWaalsContact C-N 3.29Å; E185-R187 PolarHBondContact O-N 2.83Å; E185-A188 WeakPolarHBondContact O-CA 3.31Å; E185-A188 WeakPolarHBondContact O-CB 3.43Å; E185-A188 PolarHBondContact O-N 3.21Å; E185-M189 HydrophobicContact CG-CE 4.3Å; E185-M189 WeakPolarHBondContact O-CG 3.35Å; E185-M189 PolarHBondContact O-N 2.92Å
186K92.3Very high91.1Very high78 Ų7894.2 Ų94.234%0.33943%0.433SS..Hα-helixtrans-54.3-46.4172.9-164.3175.9-168.2-99.40111.6T177 A180 N182 A188 M189 E190T177-K186 WeakPolarHBondContact O-CE 3.45Å; A180-K186 HydrophobicContact CB-CB 3.56Å; A180-K186 HydrophobicContact CB-CG 4.05Å; N182-K186 PolarHBondContact O-N 3.44Å; K186-A188 VanDerWaalsContact C-N 3.33Å; K186-A188 PolarHBondContact O-N 3.27Å; K186-M189 PolarHBondContact O-N 3.27Å; K186-E190 HydrophobicContact CG-CG 4.35Å; K186-E190 IonicContact NZ-OE1 3.85Å; K186-E190 PolarHBondContact NZ-OE1 2.88Å; K186-E190 WeakPolarHBondContact O-CB 3.29Å; K186-E190 WeakPolarHBondContact O-CG 3.43Å; K186-E190 PolarHBondContact O-N 2.92Å
187R92.4Very high91.2Very high130 Ų13094.2 Ų94.249%0.49143%0.428SS..Hα-helixtrans-66.7-30.5176.7-76.3170.5162.3-175.8-8.9113.6R183 W184 E185 K191R183-R187 WeakPolarHBondContact O-CG 3.49Å; R183-R187 PolarHBondContact O-N 2.98Å; W184-R187 PolarHBondContact O-N 2.9Å; E185-R187 VanDerWaalsContact C-N 3.29Å; E185-R187 PolarHBondContact O-N 2.83Å; R187-K191 WeakPolarHBondContact O-CB 3.27Å; R187-K191 PolarHBondContact O-N 3.48Å; R187-K191 VanDerWaalsContact O-N 3.12Å
188A93.7Very high91.6Very high46 Ų4697.2 Ų97.238%0.3844%0.44SS..Hα-helixtrans-69.6-4617400000110.7W184 E185 K186 K191 E192W184-A188 PolarHBondContact O-N 3.23Å; E185-A188 WeakPolarHBondContact O-CA 3.31Å; E185-A188 WeakPolarHBondContact O-CB 3.43Å; E185-A188 PolarHBondContact O-N 3.21Å; K186-A188 VanDerWaalsContact C-N 3.33Å; K186-A188 PolarHBondContact O-N 3.27Å; A188-K191 WeakPolarHBondContact O-CB 3.34Å; A188-K191 PolarHBondContact O-N 3.49Å; A188-E192 PolarHBondContact O-N 3.23Å
189M91.5Very high91.8Very high26 Ų2692.9 Ų92.913%0.12843%0.427CS..Hα-helixtrans-65.6-45.6175.6-65.8-168.5-59.300112.2Y175 A180 E185 K186 K191 E192 N193Y175-M189 HydrophobicContact CD1-CG 3.86Å; Y175-M189 HydrophobicContact CD1-SD 3.8Å; Y175-M189 HydrophobicContact CG-CB 4.23Å; Y175-M189 HydrophobicContact CG-CG 3.96Å; Y175-M189 HydrophobicContact CG-SD 4.16Å; A180-M189 HydrophobicContact CB-CE 3.47Å; A180-M189 VanDerWaalsContact CB-CE 3.47Å; E185-M189 HydrophobicContact CG-CE 4.3Å; E185-M189 WeakPolarHBondContact O-CG 3.35Å; E185-M189 PolarHBondContact O-N 2.92Å; K186-M189 PolarHBondContact O-N 3.27Å; M189-K191 PolarHBondContact O-N 3.11Å; M189-E192 PolarHBondContact O-N 3.44Å; M189-N193 VanDerWaalsContact O-CB 3.3Å; M189-N193 WeakPolarHBondContact O-CB 3.3Å; M189-N193 PolarHBondContact O-N 3.3Å
190E92.5Very high91.9Very high72 Ų7286.3 Ų86.334%0.33640%0.399SS..Hα-helixtrans-54.5-37.8172.1-76.1166.7173.600111.9T177 K186 K194T177-E190 HydrophobicContact CG2-CG 3.79Å; K186-E190 HydrophobicContact CG-CG 4.35Å; K186-E190 IonicContact NZ-OE1 3.85Å; K186-E190 PolarHBondContact NZ-OE1 2.88Å; K186-E190 WeakPolarHBondContact O-CB 3.29Å; K186-E190 WeakPolarHBondContact O-CG 3.43Å; K186-E190 PolarHBondContact O-N 2.92Å; E190-K194 VanDerWaalsContact O-CB 3.27Å; E190-K194 WeakPolarHBondContact O-CB 3.45Å; E190-K194 PolarHBondContact O-N 3.05Å
191K94.7Very high92Very high148 Ų14888.8 Ų88.864%0.64340%0.402SS*.Hα-helixtrans-74.7-41.6178.5-176.5-174.6175.8-168.10112.6R187 A188 M189 K194 K195R187-K191 WeakPolarHBondContact O-CB 3.27Å; R187-K191 PolarHBondContact O-N 3.48Å; R187-K191 VanDerWaalsContact O-N 3.12Å; A188-K191 WeakPolarHBondContact O-CB 3.34Å; A188-K191 PolarHBondContact O-N 3.49Å; M189-K191 PolarHBondContact O-N 3.11Å; K191-K194 PolarHBondContact O-N 2.8Å; K191-K195 WeakPolarHBondContact O-CB 3.42Å; K191-K195 PolarHBondContact O-N 3.14Å
192E93.8Very high92.3Very high65 Ų6591.6 Ų91.630%0.30440%0.403SS..Hα-helixtrans-69.2-43176.3-73.2-63.2140.100111Y175 A188 M189 K194 K195 T196Y175-E192 HydrophobicContact CD2-CB 4.39Å; Y175-E192 HydrophobicContact CE2-CB 4.25Å; A188-E192 PolarHBondContact O-N 3.23Å; M189-E192 PolarHBondContact O-N 3.44Å; E192-K194 VanDerWaalsContact C-N 3.3Å; E192-K194 PolarHBondContact O-N 3.38Å; E192-K195 CarbonylContact O-C 3.6Å; E192-K195 WeakPolarHBondContact O-CA 3.16Å; E192-K195 WeakPolarHBondContact O-CB 3.29Å; E192-K195 PolarHBondContact O-N 2.89Å; E192-K195 IonicContact OE1-NZ 3.45Å; E192-K195 PolarHBondContact OE1-NZ 3.32Å; E192-K195 WeakPolarHBondContact OE2-CD 3.3Å; E192-K195 WeakPolarHBondContact OE2-CE 3.36Å; E192-K195 IonicContact OE2-NZ 2.71Å; E192-K195 PolarHBondContact OE2-NZ 3.3Å; E192-T196 PolarHBondContact O-N 2.93Å
193N92.9Very high92.3Very high1 Ų191.2 Ų91.21%0.00540%0.398CS..Hα-helixtrans-59.9-35.7169.7-76.59.7000113.6E173 Y175 M189 K195 T196 R197E173-N193 HydrophobicContact CB-CB 4.18Å; E173-N193 HydrophobicContact CG-CB 3.83Å; E173-N193 VanDerWaalsContact OE2-CB 3.27Å; E173-N193 WeakPolarHBondContact OE2-CB 3.48Å; E173-N193 PolarHBondContact OE2-ND2 2.8Å; Y175-N193 WeakPolarHBondContact CB-OD1 3.18Å; Y175-N193 WeakPolarHBondContact CD2-OD1 3.45Å; Y175-N193 PolarHBondContact N-OD1 2.86Å; Y175-N193 VanDerWaalsContact N-OD1 3.08Å; Y175-N193 PolarHBondContact O-ND2 3Å; M189-N193 VanDerWaalsContact O-CB 3.3Å; M189-N193 WeakPolarHBondContact O-CB 3.3Å; M189-N193 PolarHBondContact O-N 3.3Å; N193-K195 VanDerWaalsContact C-N 3.34Å; N193-T196 PolarHBondContact O-OG1 3.45Å; N193-R197 WeakPolarHBondContact O-CB 3.33Å; N193-R197 WeakPolarHBondContact O-CG 3.34Å; N193-R197 PolarHBondContact O-N 2.86Å; N193-R197 PolarHBondContact O-NE 2.84Å
194K93.1Very high92.2Very high109 Ų10982.9 Ų82.947%0.47437%0.367SS..Hα-helixtrans-63.9-43.6171.5175.8169.9174.4170.10110.2E190 K191 E192 R197 E198E190-K194 VanDerWaalsContact O-CB 3.27Å; E190-K194 WeakPolarHBondContact O-CB 3.45Å; E190-K194 PolarHBondContact O-N 3.05Å; K191-K194 PolarHBondContact O-N 2.8Å; E192-K194 VanDerWaalsContact C-N 3.3Å; E192-K194 PolarHBondContact O-N 3.38Å; K194-R197 PolarHBondContact O-N 3.23Å; K194-E198 WeakPolarHBondContact CE-OE1 2.81Å; K194-E198 VanDerWaalsContact CE-OE2 3.29Å; K194-E198 WeakPolarHBondContact CE-OE2 3.5Å; K194-E198 HydrophobicContact CG-CG 4.32Å; K194-E198 IonicContact NZ-OE1 2.99Å; K194-E198 PolarHBondContact NZ-OE1 2.84Å; K194-E198 WeakPolarHBondContact O-CB 3.44Å; K194-E198 WeakPolarHBondContact O-CG 3.41Å; K194-E198 PolarHBondContact O-N 3.28Å
195K94.4Very high92.2Very high116 Ų11673.8 Ų73.850%0.50433%0.333SS..Hα-helixtrans-68.4-36.5179.3169.6-179.6157.1-135.20113.3K191 E192 N193 K199K191-K195 WeakPolarHBondContact O-CB 3.42Å; K191-K195 PolarHBondContact O-N 3.14Å; E192-K195 CarbonylContact O-C 3.6Å; E192-K195 WeakPolarHBondContact O-CA 3.16Å; E192-K195 WeakPolarHBondContact O-CB 3.29Å; E192-K195 PolarHBondContact O-N 2.89Å; E192-K195 IonicContact OE1-NZ 3.45Å; E192-K195 PolarHBondContact OE1-NZ 3.32Å; E192-K195 WeakPolarHBondContact OE2-CD 3.3Å; E192-K195 WeakPolarHBondContact OE2-CE 3.36Å; E192-K195 IonicContact OE2-NZ 2.71Å; E192-K195 PolarHBondContact OE2-NZ 3.3Å; N193-K195 VanDerWaalsContact C-N 3.34Å; K195-K199 WeakPolarHBondContact O-CB 3.21Å; K195-K199 PolarHBondContact O-N 3.33Å
196T91.8Very high92.2Very high20 Ų2073.7 Ų73.712%0.12333%0.333CS..Hα-helixtrans-66.8-43.1173.361.80000111.2K172 E174 E192 N193 K199 A200K172-T196 VanDerWaalsContact O-CB 3.3Å; K172-T196 WeakPolarHBondContact O-CB 3.5Å; K172-T196 PolarHBondContact O-OG1 3.39Å; E174-T196 HydrophobicContact CG-CG2 4.26Å; E192-T196 PolarHBondContact O-N 2.93Å; N193-T196 PolarHBondContact O-OG1 3.45Å; T196-K199 WeakPolarHBondContact O-CB 3.41Å; T196-K199 PolarHBondContact O-N 2.84Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 2.93Å
197R90.4Very high92.1Very high68 Ų6871.9 Ų71.926%0.25733%0.327SS..Hα-helixtrans-63.9-44.9173.8-73.9-179.9-67.3-171.4-9.6113.6N168 F169 E173 N193 K194 K199 A200 R201N168-R197 WeakPolarHBondContact O-CD 3.5Å; F169-R197 HydrophobicContact CB-CB 4.45Å; F169-R197 HydrophobicContact CB-CG 4.19Å; F169-R197 WeakPolarHBondContact O-CG 3.1Å; E173-R197 HydrophobicContact CG-CG 3.96Å; E173-R197 WeakPolarHBondContact OE1-CD 3.49Å; E173-R197 IonicContact OE1-CZ 2.72Å; E173-R197 IonicContact OE1-NE 2.76Å; E173-R197 PolarHBondContact OE1-NE 2.95Å; E173-R197 IonicContact OE1-NH1 3.38Å; E173-R197 PolarHBondContact OE1-NH1 2.61Å; E173-R197 IonicContact OE1-NH2 3.53Å; E173-R197 IonicContact OE2-CZ 3.49Å; E173-R197 IonicContact OE2-NH1 3.53Å; E173-R197 IonicContact OE2-NH2 3.4Å; N193-R197 WeakPolarHBondContact O-CB 3.33Å; N193-R197 WeakPolarHBondContact O-CG 3.34Å; N193-R197 PolarHBondContact O-N 2.86Å; N193-R197 PolarHBondContact O-NE 2.84Å; K194-R197 PolarHBondContact O-N 3.23Å; R197-K199 VanDerWaalsContact C-N 3.29Å; R197-K199 PolarHBondContact O-N 3.44Å; R197-A200 PolarHBondContact O-N 3.14Å; R197-R201 WeakPolarHBondContact O-CB 3.38Å; R197-R201 PolarHBondContact O-N 3.32Å
198E92.1Very high92.1Very high96 Ų9665.7 Ų65.745%0.44930%0.303SS..Hα-helixtrans-65.5-34.5176.6-76.1179151.900111.5K194 K202K194-E198 WeakPolarHBondContact CE-OE1 2.81Å; K194-E198 VanDerWaalsContact CE-OE2 3.29Å; K194-E198 WeakPolarHBondContact CE-OE2 3.5Å; K194-E198 HydrophobicContact CG-CG 4.32Å; K194-E198 IonicContact NZ-OE1 2.99Å; K194-E198 PolarHBondContact NZ-OE1 2.84Å; K194-E198 WeakPolarHBondContact O-CB 3.44Å; K194-E198 WeakPolarHBondContact O-CG 3.41Å; K194-E198 PolarHBondContact O-N 3.28Å; E198-K202 VanDerWaalsContact O-CB 3.31Å; E198-K202 WeakPolarHBondContact O-CB 3.43Å; E198-K202 PolarHBondContact O-N 3.37Å
199K92.7Very high92Very high128 Ų12867.2 Ų67.256%0.55730%0.299SS*.Hα-helixtrans-63.6-54.4170.4-177.9-167.2162.9-167.30111.2K195 T196 R197 R201 K202 E203K195-K199 WeakPolarHBondContact O-CB 3.21Å; K195-K199 PolarHBondContact O-N 3.33Å; T196-K199 WeakPolarHBondContact O-CB 3.41Å; T196-K199 PolarHBondContact O-N 2.84Å; R197-K199 VanDerWaalsContact C-N 3.29Å; R197-K199 PolarHBondContact O-N 3.44Å; K199-R201 PolarHBondContact O-N 3.22Å; K199-K202 WeakPolarHBondContact O-CA 3.19Å; K199-K202 WeakPolarHBondContact O-CB 3.42Å; K199-K202 PolarHBondContact O-N 2.95Å; K199-E203 WeakPolarHBondContact CE-OE1 3.43Å; K199-E203 WeakPolarHBondContact CE-OE2 3.13Å; K199-E203 IonicContact NZ-OE1 2.59Å; K199-E203 WeakPolarHBondContact O-CG 3.38Å; K199-E203 PolarHBondContact O-N 2.96Å
200A90.5Very high92Very high15 Ų1568.3 Ų68.312%0.12430%0.304CS..Hα-helixtrans-59.9-42.6-179.400000112.5F169 K172 T196 R197 K202 E203 R204F169-A200 HydrophobicContact CB-CB 4.15Å; F169-A200 HydrophobicContact CD1-CB 3.87Å; F169-A200 HydrophobicContact CE1-CB 4.46Å; F169-A200 HydrophobicContact CG-CB 3.92Å; K172-A200 HydrophobicContact CB-CB 4.4Å; K172-A200 HydrophobicContact CG-CB 4.12Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 2.93Å; R197-A200 PolarHBondContact O-N 3.14Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 2.88Å; A200-E203 PolarHBondContact O-N 2.65Å; A200-R204 PolarHBondContact O-N 3.39Å
201R91.2Very high91.9Very high80 Ų8064.9 Ų64.930%0.30229%0.288SS..Hα-helixtrans-60.2-43.5172.9-174.2178.1-63.7112.89.9111.8T165 K167 N168 F169 R197 K199 E203 N205T165-R201 HydrophobicContact CG2-CG 3.6Å; K167-R201 PolarHBondContact O-NE 3.24Å; K167-R201 PolarHBondContact O-NH2 2.93Å; N168-R201 PolarHBondContact O-NH2 3.45Å; F169-R201 HydrophobicContact CD2-CB 3.87Å; F169-R201 HydrophobicContact CE2-CB 3.86Å; F169-R201 HydrophobicContact CE2-CG 4.21Å; R197-R201 WeakPolarHBondContact O-CB 3.38Å; R197-R201 PolarHBondContact O-N 3.32Å; K199-R201 PolarHBondContact O-N 3.22Å; R201-E203 VanDerWaalsContact C-N 3.35Å; R201-N205 WeakPolarHBondContact O-CB 3.45Å; R201-N205 VanDerWaalsContact O-CG 3.25Å; R201-N205 PolarHBondContact O-N 2.84Å
202K92.5Very high91.9Very high144 Ų14457.8 Ų57.863%0.62626%0.258SS*.Hα-helixtrans-63.1-42.8176.3-171.9-172.6175-166.50111E198 K199 A200 N205 E206E198-K202 VanDerWaalsContact O-CB 3.31Å; E198-K202 WeakPolarHBondContact O-CB 3.43Å; E198-K202 PolarHBondContact O-N 3.37Å; K199-K202 WeakPolarHBondContact O-CA 3.19Å; K199-K202 WeakPolarHBondContact O-CB 3.42Å; K199-K202 PolarHBondContact O-N 2.95Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 2.88Å; K202-N205 PolarHBondContact O-N 3.34Å; K202-E206 WeakPolarHBondContact O-CB 3.33Å; K202-E206 PolarHBondContact O-N 3.4Å
203E90.3Very high91.8Very high97 Ų9757 Ų5745%0.45326%0.262SS..Hα-helixtrans-64.4-45.3-179.7-72.8168.5157.600111.7K199 A200 R201 E206 L207K199-E203 WeakPolarHBondContact CE-OE1 3.43Å; K199-E203 WeakPolarHBondContact CE-OE2 3.13Å; K199-E203 IonicContact NZ-OE1 2.59Å; K199-E203 WeakPolarHBondContact O-CG 3.38Å; K199-E203 PolarHBondContact O-N 2.96Å; A200-E203 PolarHBondContact O-N 2.65Å; R201-E203 VanDerWaalsContact C-N 3.35Å; E203-E206 PolarHBondContact O-N 3.21Å; E203-L207 WeakPolarHBondContact O-CB 3.2Å; E203-L207 VanDerWaalsContact O-CG 3.32Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 3.04Å
204R90.1Very high91.7Very high17 Ų1757.5 Ų57.56%0.06426%0.264CS..Hα-helixtrans-61.3-46.3172.5178.264.9175.6-165.6-1.2112.4S87 I88 E123 T165 F169 A200 E206 L207 V208S87-R204 PolarHBondContact OG-NH1 2.85Å; I88-R204 PolarHBondContact O-NH1 3.43Å; E123-R204 IonicContact OE1-CZ 3.3Å; E123-R204 IonicContact OE1-NH1 3.5Å; E123-R204 IonicContact OE1-NH2 3.96Å; E123-R204 PolarHBondContact OE1-NH2 3.25Å; E123-R204 IonicContact OE2-CZ 3.49Å; E123-R204 IonicContact OE2-NH1 3.12Å; E123-R204 IonicContact OE2-NH2 3.98Å; E123-R204 PolarHBondContact OE2-NH2 2.73Å; T165-R204 HydrophobicContact CG2-CB 4.49Å; T165-R204 HydrophobicContact CG2-CG 4.26Å; F169-R204 HydrophobicContact CZ-CB 3.8Å; F169-R204 HydrophobicContact CZ-CG 4.13Å; A200-R204 PolarHBondContact O-N 3.39Å; R204-E206 PolarHBondContact O-N 3.17Å; R204-L207 PolarHBondContact O-N 3.47Å; R204-V208 WeakPolarHBondContact O-CG2 3.21Å; R204-V208 PolarHBondContact O-N 3.37Å
205N91.9Very high91.7Very high14 Ų1452.3 Ų52.38%0.07524%0.241CC..Hα-helixtrans-61.9-42.5178.3-76.5-8.3000112.4T165 R201 K202 V208 R209T165-N205 WeakPolarHBondContact CG2-OD1 3.27Å; T165-N205 PolarHBondContact N-OD1 3.18Å; R201-N205 WeakPolarHBondContact O-CB 3.45Å; R201-N205 VanDerWaalsContact O-CG 3.25Å; R201-N205 PolarHBondContact O-N 2.84Å; K202-N205 PolarHBondContact O-N 3.34Å; N205-V208 PolarHBondContact O-N 2.79Å; N205-R209 WeakPolarHBondContact O-CB 3.3Å; N205-R209 WeakPolarHBondContact O-CD 3.47Å; N205-R209 WeakPolarHBondContact O-CG 3.41Å; N205-R209 PolarHBondContact O-N 3.26Å
206E91.4Very high91.6Very high78 Ų7850.2 Ų50.236%0.36423%0.23SC..Hα-helixtrans-66-43.1179.4-173.164.4-15200110.7K202 E203 R204 R209 Q210K202-E206 WeakPolarHBondContact O-CB 3.33Å; K202-E206 PolarHBondContact O-N 3.4Å; E203-E206 PolarHBondContact O-N 3.21Å; R204-E206 PolarHBondContact O-N 3.17Å; E206-R209 PolarHBondContact O-N 2.83Å; E206-Q210 HydrophobicContact CG-CG 4.39Å; E206-Q210 VanDerWaalsContact CG-NE2 3.31Å; E206-Q210 VanDerWaalsContact O-CB 3.26Å; E206-Q210 WeakPolarHBondContact O-CB 3.26Å; E206-Q210 WeakPolarHBondContact O-CG 3.41Å; E206-Q210 PolarHBondContact O-N 2.62Å; E206-Q210 PolarHBondContact OE1-NE2 3.28Å
207L89.6Confident91.6Very high39 Ų3953.3 Ų53.320%0.20424%0.242CC..Hα-helixtrans-60.9-45.2174.6-73.5170.7000112.5W66 L90 L91 E203 R204 Q210 L211W66-L207 HydrophobicContact CZ2-CD2 4.35Å; L90-L207 HydrophobicContact CD1-CB 4.21Å; L91-L207 HydrophobicContact CD2-CD2 3.8Å; E203-L207 WeakPolarHBondContact O-CB 3.2Å; E203-L207 VanDerWaalsContact O-CG 3.32Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 3.04Å; R204-L207 PolarHBondContact O-N 3.47Å; L207-Q210 PolarHBondContact O-N 2.71Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.41Å
208V92.3Very high91.5Very high0 Ų051.1 Ų51.10%023%0.234CC..Hα-helixtrans-62.3-45.9176174.50000110.9L90 W160 F163 R204 N205 Q210 L211 V212L90-V208 HydrophobicContact CD1-CB 4.45Å; L90-V208 HydrophobicContact CD1-CG2 3.52Å; W160-V208 HydrophobicContact CE3-CG1 3.89Å; W160-V208 HydrophobicContact CZ3-CG1 3.93Å; F163-V208 HydrophobicContact CB-CG1 4.33Å; F163-V208 HydrophobicContact CD1-CB 3.77Å; F163-V208 HydrophobicContact CD1-CG1 3.51Å; F163-V208 HydrophobicContact CD1-CG2 4.19Å; F163-V208 HydrophobicContact CD2-CG1 4.35Å; F163-V208 HydrophobicContact CE1-CB 3.9Å; F163-V208 HydrophobicContact CE1-CG1 3.85Å; F163-V208 HydrophobicContact CE1-CG2 3.78Å; F163-V208 HydrophobicContact CG-CG1 3.8Å; F163-V208 HydrophobicContact CZ-CG1 4.39Å; F163-V208 HydrophobicContact CZ-CG2 4.38Å; R204-V208 WeakPolarHBondContact O-CG2 3.21Å; R204-V208 PolarHBondContact O-N 3.37Å; N205-V208 PolarHBondContact O-N 2.79Å; V208-Q210 PolarHBondContact O-N 3.45Å; V208-L211 WeakPolarHBondContact O-CB 3.34Å; V208-L211 PolarHBondContact O-N 2.93Å; V208-V212 HydrophobicContact CG1-CG2 4.31Å; V208-V212 WeakPolarHBondContact O-CG2 3.33Å; V208-V212 PolarHBondContact O-N 3.45Å
209R93.3Very high91.6Very high78 Ų7846.5 Ų46.529%0.29421%0.212SC..Hα-helixtrans-67.7-34.4-179.8-67.7167.7-171.1178.6-6.2112.8S162 F163 C164 N205 E206 V212 A213S162-R209 PolarHBondContact O-NH2 2.96Å; F163-R209 VanDerWaalsContact O-CZ 3.25Å; F163-R209 PolarHBondContact O-NE 3.42Å; F163-R209 PolarHBondContact O-NH2 2.83Å; C164-R209 PolarHBondContact SG-NH2 3.33Å; N205-R209 WeakPolarHBondContact O-CB 3.3Å; N205-R209 WeakPolarHBondContact O-CD 3.47Å; N205-R209 WeakPolarHBondContact O-CG 3.41Å; N205-R209 PolarHBondContact O-N 3.26Å; E206-R209 PolarHBondContact O-N 2.83Å; R209-V212 PolarHBondContact O-N 3.37Å; R209-A213 WeakPolarHBondContact O-CB 2.8Å; R209-A213 PolarHBondContact O-N 2.95Å
210Q90.2Very high91.5Very high49 Ų4945.1 Ų45.123%0.22920%0.204CC..Hα-helixtrans-68-39.6173.6-73.7171.1-5.500111.5F94 E206 L207 V208 A213 F214F94-Q210 HydrophobicContact CE1-CB 3.9Å; F94-Q210 HydrophobicContact CZ-CB 3.94Å; E206-Q210 HydrophobicContact CG-CG 4.39Å; E206-Q210 VanDerWaalsContact CG-NE2 3.31Å; E206-Q210 VanDerWaalsContact O-CB 3.26Å; E206-Q210 WeakPolarHBondContact O-CB 3.26Å; E206-Q210 WeakPolarHBondContact O-CG 3.41Å; E206-Q210 PolarHBondContact O-N 2.62Å; E206-Q210 PolarHBondContact OE1-NE2 3.28Å; L207-Q210 PolarHBondContact O-N 2.71Å; V208-Q210 PolarHBondContact O-N 3.45Å; Q210-A213 PolarHBondContact O-N 3.08Å; Q210-F214 WeakPolarHBondContact O-CB 3.39Å; Q210-F214 PolarHBondContact O-N 3.02Å
211L91.7Very high91.6Very high0 Ų045.4 Ų45.40%020%0.201CC..Hα-helixtrans-61.7-47.7172.1173.667.1000110.3L90 F94 Y113 L116 F117 I120 L207 V208 A213 F214 V215L90-L211 HydrophobicContact CB-CD2 4.43Å; L90-L211 HydrophobicContact CD2-CD2 4.14Å; F94-L211 HydrophobicContact CD2-CD1 4.3Å; F94-L211 HydrophobicContact CE1-CB 4.33Å; F94-L211 HydrophobicContact CE2-CB 3.86Å; F94-L211 HydrophobicContact CE2-CD1 4.2Å; F94-L211 VanDerWaalsContact CZ-CA 3.48Å; F94-L211 HydrophobicContact CZ-CB 3.65Å; Y113-L211 HydrophobicContact CE1-CD1 4.2Å; L116-L211 HydrophobicContact CD2-CD1 4.29Å; L116-L211 HydrophobicContact CD2-CD2 3.69Å; L116-L211 HydrophobicContact CG-CD2 4.45Å; F117-L211 HydrophobicContact CE1-CD2 4.48Å; I120-L211 HydrophobicContact CD1-CD2 4.3Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.41Å; V208-L211 WeakPolarHBondContact O-CB 3.34Å; V208-L211 PolarHBondContact O-N 2.93Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 3.33Å; L211-F214 WeakPolarHBondContact O-CB 3.42Å; L211-F214 PolarHBondContact O-N 2.59Å; L211-F214 VanDerWaalsContact O-N 3.12Å; L211-V215 HydrophobicContact CD1-CG2 4.21Å; L211-V215 VanDerWaalsContact O-CG2 3.3Å; L211-V215 WeakPolarHBondContact O-CG2 3.38Å; L211-V215 PolarHBondContact O-N 3.19Å
212V94Very high91.6Very high0 Ų041.8 Ų41.80%019%0.188CC..Hα-helixtrans-59.7-40.3176.9173.50000111.2F117 Y157 W160 Q161 V208 R209 R216F117-V212 HydrophobicContact CE1-CG2 3.64Å; F117-V212 HydrophobicContact CZ-CG2 3.76Å; Y157-V212 HydrophobicContact CD1-CG1 3.77Å; Y157-V212 HydrophobicContact CE1-CG1 4.22Å; W160-V212 HydrophobicContact CB-CB 4.49Å; W160-V212 HydrophobicContact CB-CG1 3.88Å; W160-V212 HydrophobicContact CB-CG2 3.75Å; W160-V212 HydrophobicContact CE3-CG2 4.35Å; Q161-V212 HydrophobicContact CG-CG1 4.06Å; V208-V212 HydrophobicContact CG1-CG2 4.31Å; V208-V212 WeakPolarHBondContact O-CG2 3.33Å; V208-V212 PolarHBondContact O-N 3.45Å; R209-V212 PolarHBondContact O-N 3.37Å; V212-R216 WeakPolarHBondContact O-CB 3.4Å; V212-R216 PolarHBondContact O-N 3.27Å
213A92.1Very high91.6Very high47 Ų4738.5 Ų38.539%0.38818%0.175SC..Hα-helixtrans-66.2-40.8173.900000112.9R209 Q210 L211 R216 K217R209-A213 WeakPolarHBondContact O-CB 2.8Å; R209-A213 PolarHBondContact O-N 2.95Å; Q210-A213 PolarHBondContact O-N 3.08Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 3.33Å; A213-R216 PolarHBondContact O-N 3.27Å; A213-K217 WeakPolarHBondContact O-CB 3.47Å; A213-K217 PolarHBondContact O-N 2.97Å
214F90.8Very high91.7Very high12 Ų1237 Ų375%0.05318%0.179CC..Hα-helixtrans-61.6-45.3175.9176.6-86.2000111.8F94 V96 Y113 Q210 L211 R218F94-F214 HydrophobicContact CD1-CB 4.08Å; F94-F214 HydrophobicContact CD1-CD2 4.13Å; F94-F214 HydrophobicContact CD1-CG 4.11Å; F94-F214 HydrophobicContact CE1-CB 4.29Å; F94-F214 WeakPolarHBondContact O-CE2 3.14Å; F94-F214 WeakPolarHBondContact O-CZ 3.42Å; V96-F214 HydrophobicContact CG2-CZ 4.37Å; Y113-F214 WeakPolarHBondContact OH-CE1 3.17Å; Q210-F214 WeakPolarHBondContact O-CB 3.39Å; Q210-F214 PolarHBondContact O-N 3.02Å; L211-F214 WeakPolarHBondContact O-CB 3.42Å; L211-F214 PolarHBondContact O-N 2.59Å; L211-F214 VanDerWaalsContact O-N 3.12Å; F214-R218 PolarHBondContact O-N 2.98Å
215V92.6Very high91.8Very high0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-67-47.9175.8-179.90000110.1F109 Y113 F142 L211 K217 R218 D219F109-V215 HydrophobicContact CE1-CG1 4.33Å; F109-V215 HydrophobicContact CE2-CG1 4.39Å; F109-V215 HydrophobicContact CZ-CG1 3.67Å; Y113-V215 HydrophobicContact CD1-CG2 3.51Å; Y113-V215 HydrophobicContact CD2-CG1 4.17Å; Y113-V215 HydrophobicContact CD2-CG2 4.18Å; Y113-V215 HydrophobicContact CE1-CG2 3.46Å; Y113-V215 VanDerWaalsContact CE1-CG2 3.46Å; Y113-V215 HydrophobicContact CE2-CG2 4.13Å; Y113-V215 HydrophobicContact CG-CG1 4.15Å; Y113-V215 HydrophobicContact CG-CG2 3.91Å; F142-V215 HydrophobicContact CE2-CG1 3.95Å; F142-V215 HydrophobicContact CZ-CG1 3.63Å; L211-V215 HydrophobicContact CD1-CG2 4.21Å; L211-V215 VanDerWaalsContact O-CG2 3.3Å; L211-V215 WeakPolarHBondContact O-CG2 3.38Å; L211-V215 PolarHBondContact O-N 3.19Å; V215-K217 PolarHBondContact O-N 3.17Å; V215-R218 CarbonylContact O-C 3.59Å; V215-R218 WeakPolarHBondContact O-CA 3.14Å; V215-R218 PolarHBondContact O-N 2.79Å; V215-D219 WeakPolarHBondContact O-CB 3.36Å; V215-D219 PolarHBondContact O-N 2.91Å
216R93Very high91.8Very high73 Ų7345.9 Ų45.928%0.27521%0.214SC..Hα-helixtrans-58-30.9177.7-169.9177-177.9-143.6-5.5113.5Y157 V212 A213 R218 V222Y157-R216 HydrophobicContact CD1-CB 3.8Å; Y157-R216 HydrophobicContact CD1-CG 3.95Å; Y157-R216 HydrophobicContact CD2-CG 4.2Å; Y157-R216 HydrophobicContact CE1-CB 3.53Å; Y157-R216 HydrophobicContact CE1-CG 4.03Å; Y157-R216 HydrophobicContact CE2-CG 4.3Å; Y157-R216 HydrophobicContact CG-CB 4.42Å; Y157-R216 HydrophobicContact CG-CG 4.06Å; V212-R216 WeakPolarHBondContact O-CB 3.4Å; V212-R216 PolarHBondContact O-N 3.27Å; A213-R216 PolarHBondContact O-N 3.27Å; R216-R218 VanDerWaalsContact C-N 3.34Å; R216-V222 HydrophobicContact CG-CG1 3.96Å; R216-V222 HydrophobicContact CG-CG2 4.31Å; R216-V222 WeakPolarHBondContact O-CG1 3.2Å
217K90.4Very high91.9Very high84 Ų8447.9 Ų47.937%0.36522%0.222SC..Hα-helixtrans-71.9-26.8174.1-177.3179.6168.8-168.20112.6D60 E63 A213 V215 Q223D60-K217 IonicContact OD2-NZ 3.52Å; D60-K217 PolarHBondContact OD2-NZ 3.13Å; E63-K217 WeakPolarHBondContact OE1-CD 3.36Å; E63-K217 IonicContact OE1-NZ 2.61Å; E63-K217 PolarHBondContact OE1-NZ 3.14Å; A213-K217 WeakPolarHBondContact O-CB 3.47Å; A213-K217 PolarHBondContact O-N 2.97Å; V215-K217 PolarHBondContact O-N 3.17Å; K217-Q223 PolarHBondContact O-NE2 3.24Å
218R89.6Confident92.1Very high22 Ų2250 Ų508%0.08323%0.233CC..Hα-helixtrans-107.2-17.4-172.5-70.7172.416879.2-3114.2E63 F109 F214 V215 R216 R220E63-R218 IonicContact OE1-CZ 3.99Å; E63-R218 IonicContact OE1-NH1 3.28Å; E63-R218 PolarHBondContact OE1-NH1 3.01Å; E63-R218 IonicContact OE1-NH2 2.66Å; E63-R218 PolarHBondContact OE1-NH2 2.88Å; E63-R218 IonicContact OE2-CZ 2.91Å; E63-R218 IonicContact OE2-NH1 3.5Å; E63-R218 PolarHBondContact OE2-NH1 3.18Å; E63-R218 IonicContact OE2-NH2 3.56Å; E63-R218 PolarHBondContact OE2-NH2 2.85Å; F109-R218 HydrophobicContact CE2-CB 4.02Å; F109-R218 HydrophobicContact CZ-CB 4.42Å; F214-R218 PolarHBondContact O-N 2.98Å; V215-R218 CarbonylContact O-C 3.59Å; V215-R218 WeakPolarHBondContact O-CA 3.14Å; V215-R218 PolarHBondContact O-N 2.79Å; R216-R218 VanDerWaalsContact C-N 3.34Å; R218-R220 WeakPolarHBondContact O-CD 3.42Å; R218-R220 PolarHBondContact O-N 2.91Å; R218-R220 PolarHBondContact O-NH1 3.49Å
219D92.8Very high92.2Very high0 Ų052.3 Ų52.30%025%0.247CC..  trans-62.1125.8175.5-173.4-31.1000111.7F109 Y157 V215 R221 V222 Q223F109-D219 HydrophobicContact CE1-CB 3.96Å; F109-D219 HydrophobicContact CZ-CB 3.97Å; Y157-D219 WeakPolarHBondContact CE2-OD2 3.44Å; Y157-D219 WeakPolarHBondContact OH-CB 3.31Å; Y157-D219 PolarHBondContact OH-OD2 2.99Å; V215-D219 WeakPolarHBondContact O-CB 3.36Å; V215-D219 PolarHBondContact O-N 2.91Å; D219-R221 VanDerWaalsContact OD1-CB 3.28Å; D219-R221 WeakPolarHBondContact OD1-CB 3.49Å; D219-R221 IonicContact OD1-CZ 2.7Å; D219-R221 PolarHBondContact OD1-N 3.2Å; D219-R221 IonicContact OD1-NE 3.47Å; D219-R221 PolarHBondContact OD1-NE 3.1Å; D219-R221 VanDerWaalsContact OD1-NE 3.12Å; D219-R221 IonicContact OD1-NH2 2.62Å; D219-R221 IonicContact OD2-CZ 3.63Å; D219-R221 IonicContact OD2-NE 3.31Å; D219-R221 PolarHBondContact OD2-NE 3.01Å; D219-R221 IonicContact OD2-NH2 2.7Å; D219-R221 PolarHBondContact OD2-NH2 3.4Å; D219-V222 HydrophobicContact CB-CB 4.15Å; D219-V222 HydrophobicContact CB-CG2 3.74Å; D219-V222 PolarHBondContact O-N 3.48Å; D219-Q223 WeakPolarHBondContact O-CG 3.43Å; D219-Q223 PolarHBondContact O-N 3.08Å
220R90.8Very high92.2Very high99 Ų9954.9 Ų54.937%0.37426%0.262SS..Hα-helixtrans-71.6-30.9-175.4-93.151.8176.6163.41.6112.6Y102 R218 V222 Q223 A224Y102-R220 HydrophobicContact CD1-CG 4.48Å; Y102-R220 PolarHBondContact OH-NH1 2.85Å; Y102-R220 PolarHBondContact OH-NH2 2.94Å; R218-R220 WeakPolarHBondContact O-CD 3.42Å; R218-R220 PolarHBondContact O-N 2.91Å; R218-R220 PolarHBondContact O-NH1 3.49Å; R220-V222 VanDerWaalsContact C-N 3.32Å; R220-Q223 PolarHBondContact O-N 3.02Å; R220-A224 WeakPolarHBondContact O-CB 3.25Å; R220-A224 PolarHBondContact O-N 2.94Å
221R92.5Very high92.5Very high20 Ų2057.4 Ų57.48%0.07527%0.274CS..Hα-helixtrans-62.9-44175.1-54167-60.5179.18.6109.3F142 D144 V153 D219 H225F142-R221 PolarHBondContact O-NH1 3.26Å; F142-R221 PolarHBondContact O-NH2 3.18Å; F142-R221 VanDerWaalsContact O-NH2 3.09Å; D144-R221 WeakPolarHBondContact O-CD 3.2Å; D144-R221 PolarHBondContact O-NH1 3.1Å; V153-R221 HydrophobicContact CG1-CB 4.41Å; V153-R221 HydrophobicContact CG2-CB 4.13Å; V153-R221 HydrophobicContact CG2-CG 4.48Å; D219-R221 VanDerWaalsContact OD1-CB 3.28Å; D219-R221 WeakPolarHBondContact OD1-CB 3.49Å; D219-R221 IonicContact OD1-CZ 2.7Å; D219-R221 PolarHBondContact OD1-N 3.2Å; D219-R221 IonicContact OD1-NE 3.47Å; D219-R221 PolarHBondContact OD1-NE 3.1Å; D219-R221 VanDerWaalsContact OD1-NE 3.12Å; D219-R221 IonicContact OD1-NH2 2.62Å; D219-R221 IonicContact OD2-CZ 3.63Å; D219-R221 IonicContact OD2-NE 3.31Å; D219-R221 PolarHBondContact OD2-NE 3.01Å; D219-R221 IonicContact OD2-NH2 2.7Å; D219-R221 PolarHBondContact OD2-NH2 3.4Å; R221-H225 PolarHBondContact O-N 3.29Å
222V92.6Very high92.7Very high4 Ų461.9 Ų61.92%0.02430%0.295CS..Hα-helixtrans-69.3-39.8176.4-173.20000112.5Y149 V153 Y157 R216 D219 R220 R226Y149-V222 HydrophobicContact CE2-CB 4.33Å; Y149-V222 HydrophobicContact CE2-CG1 4.35Å; Y149-V222 HydrophobicContact CE2-CG2 4.1Å; V153-V222 HydrophobicContact CG1-CG2 3.82Å; Y157-V222 HydrophobicContact CD2-CG2 3.88Å; Y157-V222 HydrophobicContact CE2-CG2 3.34Å; R216-V222 HydrophobicContact CG-CG1 3.96Å; R216-V222 HydrophobicContact CG-CG2 4.31Å; R216-V222 WeakPolarHBondContact O-CG1 3.2Å; D219-V222 HydrophobicContact CB-CB 4.15Å; D219-V222 HydrophobicContact CB-CG2 3.74Å; D219-V222 PolarHBondContact O-N 3.48Å; R220-V222 VanDerWaalsContact C-N 3.32Å; V222-R226 VanDerWaalsContact O-CB 3.3Å; V222-R226 WeakPolarHBondContact O-CB 3.44Å; V222-R226 PolarHBondContact O-N 2.81Å
223Q91.8Very high92.8Very high76 Ų7665.1 Ų65.136%0.35531%0.312SS..Hα-helixtrans-64.7-42.7176.8-73.2174.9-1.600111.9K217 D219 R220 R226 K227K217-Q223 PolarHBondContact O-NE2 3.24Å; D219-Q223 WeakPolarHBondContact O-CG 3.43Å; D219-Q223 PolarHBondContact O-N 3.08Å; R220-Q223 PolarHBondContact O-N 3.02Å; Q223-R226 PolarHBondContact O-N 3.06Å; Q223-K227 PolarHBondContact O-N 3.32Å; Q223-K227 VanDerWaalsContact O-N 3.08Å
224A91.5Very high93Very high65 Ų6564.7 Ų64.754%0.53731%0.309SS..Hα-helixtrans-62-49.317500000111.7R220 R226 K227 L228R220-A224 WeakPolarHBondContact O-CB 3.25Å; R220-A224 PolarHBondContact O-N 2.94Å; A224-R226 PolarHBondContact O-N 3.13Å; A224-K227 PolarHBondContact O-N 3.22Å; A224-L228 PolarHBondContact O-N 3.1Å
225H92Very high93.3Very high64 Ų6469 Ų6930%0.29633%0.329SS..Hα-helixtrans-62.3-42.2177.7-176.5-97.2000112.6Y149 R221 K227 L228 V229Y149-H225 HydrophobicContact CD1-CB 4.05Å; Y149-H225 AromaticContact CD1-CD2 3.44Å; Y149-H225 VanDerWaalsContact CD1-CD2 3.44Å; Y149-H225 WeakPolarHBondContact CD1-CD2 3.49Å; Y149-H225 AromaticContact CD1-CE1 3.8Å; Y149-H225 AromaticContact CD1-CG 3.44Å; Y149-H225 VanDerWaalsContact CD1-CG 3.44Å; Y149-H225 AromaticContact CD1-ND1 3.67Å; Y149-H225 AromaticContact CD1-NE2 3.7Å; Y149-H225 HydrophobicContact CD2-CB 3.5Å; Y149-H225 VanDerWaalsContact CD2-CB 3.5Å; Y149-H225 AromaticContact CD2-CG 3.82Å; Y149-H225 HydrophobicContact CE1-CB 4.28Å; Y149-H225 AromaticContact CE1-CD2 3.82Å; Y149-H225 AromaticContact CE1-CE1 3.37Å; Y149-H225 WeakPolarHBondContact CE1-CE1 3.23Å; Y149-H225 AromaticContact CE1-CG 3.52Å; Y149-H225 AromaticContact CE1-ND1 3.23Å; Y149-H225 WeakPolarHBondContact CE1-ND1 3.37Å; Y149-H225 AromaticContact CE1-NE2 3.76Å; Y149-H225 HydrophobicContact CE2-CB 3.72Å; Y149-H225 AromaticContact CE2-CG 3.86Å; Y149-H225 AromaticContact CE2-ND1 3.88Å; Y149-H225 HydrophobicContact CG-CB 3.68Å; Y149-H225 AromaticContact CG-CD2 3.83Å; Y149-H225 AromaticContact CG-CG 3.61Å; Y149-H225 AromaticContact CZ-CE1 3.92Å; Y149-H225 AromaticContact CZ-CG 3.72Å; Y149-H225 AromaticContact CZ-ND1 3.34Å; Y149-H225 VanDerWaalsContact CZ-ND1 3.34Å; R221-H225 PolarHBondContact O-N 3.29Å; H225-K227 VanDerWaalsContact C-N 3.34Å; H225-K227 PolarHBondContact O-N 2.88Å; H225-L228 PolarHBondContact O-N 2.72Å; H225-V229 VanDerWaalsContact CE1-CG2 3.44Å; H225-V229 WeakPolarHBondContact CE1-CG2 3.49Å; H225-V229 WeakPolarHBondContact O-CG2 3.15Å; H225-V229 PolarHBondContact O-N 3.4Å
226R93.3Very high93.5Very high153 Ų15374.1 Ų74.158%0.57735%0.351SS*.Hα-helixtrans-55.9-48.6174.8179.3-172.6-64.4-120.81.1111.3V222 Q223 A224 V229 E230V222-R226 VanDerWaalsContact O-CB 3.3Å; V222-R226 WeakPolarHBondContact O-CB 3.44Å; V222-R226 PolarHBondContact O-N 2.81Å; Q223-R226 PolarHBondContact O-N 3.06Å; A224-R226 PolarHBondContact O-N 3.13Å; R226-V229 PolarHBondContact O-N 2.73Å; R226-E230 WeakPolarHBondContact O-CB 3.46Å; R226-E230 PolarHBondContact O-N 3.19Å
227K93.9Very high93.7Very high121 Ų12176.1 Ų76.153%0.52637%0.366SS..Hα-helixtrans-61.1-45.3179.4-178.2-175.3164.1-173.50111.2Q223 A224 H225 V229 E230 E231Q223-K227 PolarHBondContact O-N 3.32Å; Q223-K227 VanDerWaalsContact O-N 3.08Å; A224-K227 PolarHBondContact O-N 3.22Å; H225-K227 VanDerWaalsContact C-N 3.34Å; H225-K227 PolarHBondContact O-N 2.88Å; K227-V229 PolarHBondContact O-N 3.38Å; K227-E230 WeakPolarHBondContact O-CB 3.3Å; K227-E230 PolarHBondContact O-N 2.87Å; K227-E231 VanDerWaalsContact CE-CD 3.46Å; K227-E231 WeakPolarHBondContact CE-OE1 3.26Å; K227-E231 HydrophobicContact CG-CG 4.48Å; K227-E231 IonicContact NZ-OE1 2.62Å; K227-E231 PolarHBondContact NZ-OE1 3.43Å; K227-E231 WeakPolarHBondContact O-CG 3.37Å; K227-E231 PolarHBondContact O-N 3.34Å
228L93.6Very high94Very high82 Ų8279.2 Ų79.243%0.42938%0.38SS..Hα-helixtrans-59.8-43.5177.4177.8154.9000111.9A224 H225 E231 Q232A224-L228 PolarHBondContact O-N 3.1Å; H225-L228 PolarHBondContact O-N 2.72Å; L228-E231 PolarHBondContact O-N 2.79Å; L228-Q232 HydrophobicContact CD2-CG 4.43Å; L228-Q232 WeakPolarHBondContact O-CB 3.44Å; L228-Q232 WeakPolarHBondContact O-CG 3.5Å; L228-Q232 PolarHBondContact O-N 2.89Å
229V93.8Very high94.4Very high49 Ų4984.3 Ų84.330%0.29740%0.403SS..Hα-helixtrans-65.9-38.6175.7170.80000111.7H225 R226 K227 N233H225-V229 VanDerWaalsContact CE1-CG2 3.44Å; H225-V229 WeakPolarHBondContact CE1-CG2 3.49Å; H225-V229 WeakPolarHBondContact O-CG2 3.15Å; H225-V229 PolarHBondContact O-N 3.4Å; R226-V229 PolarHBondContact O-N 2.73Å; K227-V229 PolarHBondContact O-N 3.38Å; V229-N233 VanDerWaalsContact O-CB 3.3Å; V229-N233 WeakPolarHBondContact O-CB 3.27Å; V229-N233 PolarHBondContact O-N 3.12Å; V229-N233 PolarHBondContact O-ND2 2.76Å
230E94.3Very high94.5Very high133 Ų13388.6 Ų88.662%0.62143%0.429SS*.Hα-helixtrans-65.1-43.6175.8-173.3168-169.200111.8R226 K227 N233 A234R226-E230 WeakPolarHBondContact O-CB 3.46Å; R226-E230 PolarHBondContact O-N 3.19Å; K227-E230 WeakPolarHBondContact O-CB 3.3Å; K227-E230 PolarHBondContact O-N 2.87Å; E230-N233 PolarHBondContact O-N 3.34Å; E230-A234 WeakPolarHBondContact O-CB 3.29Å; E230-A234 PolarHBondContact O-N 3.46Å
231E95.9Very high94.8Very high102 Ų10286.5 Ų86.548%0.47743%0.433SS..Hα-helixtrans-62.7-46.8174.5-73.4174156.900111.6K227 L228 N233 A234 E235K227-E231 VanDerWaalsContact CE-CD 3.46Å; K227-E231 WeakPolarHBondContact CE-OE1 3.26Å; K227-E231 HydrophobicContact CG-CG 4.48Å; K227-E231 IonicContact NZ-OE1 2.62Å; K227-E231 PolarHBondContact NZ-OE1 3.43Å; K227-E231 WeakPolarHBondContact O-CG 3.37Å; K227-E231 PolarHBondContact O-N 3.34Å; L228-E231 PolarHBondContact O-N 2.79Å; E231-N233 VanDerWaalsContact C-N 3.32Å; E231-N233 PolarHBondContact O-N 2.99Å; E231-A234 PolarHBondContact O-N 2.93Å; E231-E235 PolarHBondContact O-N 3.49Å
232Q95.6Very high95.1Very high93 Ų9389.3 Ų89.344%0.43545%0.447SS..Hα-helixtrans-60.3-38.9174.3-75.1-173.611.400112.8L228 E235 K236L228-Q232 HydrophobicContact CD2-CG 4.43Å; L228-Q232 WeakPolarHBondContact O-CB 3.44Å; L228-Q232 WeakPolarHBondContact O-CG 3.5Å; L228-Q232 PolarHBondContact O-N 2.89Å; Q232-E235 PolarHBondContact O-N 3.36Å; Q232-K236 VanDerWaalsContact O-CG 3.26Å; Q232-K236 WeakPolarHBondContact O-CG 3.39Å; Q232-K236 PolarHBondContact O-N 2.86Å
233N95.9Very high95.3Very high68 Ų6893.7 Ų93.736%0.36447%0.469SS..Hα-helixtrans-73.7-38179.2-71.4-19.7000111.4V229 E230 E231 E235 K236 I237V229-N233 VanDerWaalsContact O-CB 3.3Å; V229-N233 WeakPolarHBondContact O-CB 3.27Å; V229-N233 PolarHBondContact O-N 3.12Å; V229-N233 PolarHBondContact O-ND2 2.76Å; E230-N233 PolarHBondContact O-N 3.34Å; E231-N233 VanDerWaalsContact C-N 3.32Å; E231-N233 PolarHBondContact O-N 2.99Å; N233-E235 VanDerWaalsContact C-N 3.3Å; N233-E235 PolarHBondContact O-N 3.18Å; N233-K236 PolarHBondContact O-N 3.45Å; N233-K236 PolarHBondContact OD1-NZ 3.47Å; N233-I237 WeakPolarHBondContact O-CB 3.33Å; N233-I237 WeakPolarHBondContact O-CD1 2.75Å; N233-I237 VanDerWaalsContact O-CG1 3.26Å; N233-I237 WeakPolarHBondContact O-CG1 3.2Å; N233-I237 PolarHBondContact O-N 2.87Å
234A96.3Very high95.6Very high39 Ų3998.3 Ų98.332%0.32248%0.484SS..Hα-helixtrans-61.4-37.8170.500000111.9E230 E231 K238E230-A234 WeakPolarHBondContact O-CB 3.29Å; E230-A234 PolarHBondContact O-N 3.46Å; E231-A234 PolarHBondContact O-N 2.93Å; A234-K238 WeakPolarHBondContact O-CB 3.32Å; A234-K238 VanDerWaalsContact O-CG 3.26Å; A234-K238 WeakPolarHBondContact O-CG 3.29Å; A234-K238 PolarHBondContact O-N 3.45Å
235E96.7Very high95.9Very high101 Ų101103 Ų10347%0.47249%0.487SS..Hα-helixtrans-63.6-47170.5-82.3-164-161.600113E231 Q232 N233 I237 K238 K239E231-E235 PolarHBondContact O-N 3.49Å; Q232-E235 PolarHBondContact O-N 3.36Å; N233-E235 VanDerWaalsContact C-N 3.3Å; N233-E235 PolarHBondContact O-N 3.18Å; E235-I237 VanDerWaalsContact C-N 3.27Å; E235-I237 PolarHBondContact O-N 2.96Å; E235-K238 PolarHBondContact O-N 3.34Å; E235-K239 WeakPolarHBondContact O-CB 3.35Å; E235-K239 WeakPolarHBondContact O-CD 3.28Å; E235-K239 VanDerWaalsContact O-CG 3.26Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 2.89Å; E235-K239 IonicContact OE2-NZ 3.37Å; E235-K239 PolarHBondContact OE2-NZ 3.25Å
236K96.7Very high96.1Very high109 Ų109103.9 Ų103.947%0.47449%0.492SS..Hα-helixtrans-59.3-39.9177.3-69.5163-1651660111Q232 N233 T240Q232-K236 VanDerWaalsContact O-CG 3.26Å; Q232-K236 WeakPolarHBondContact O-CG 3.39Å; Q232-K236 PolarHBondContact O-N 2.86Å; N233-K236 PolarHBondContact O-N 3.45Å; N233-K236 PolarHBondContact OD1-NZ 3.47Å; K236-T240 WeakPolarHBondContact O-CB 3.4Å; K236-T240 WeakPolarHBondContact O-CG2 3.23Å; K236-T240 PolarHBondContact O-N 3.47Å; K236-T240 PolarHBondContact O-OG1 3.34Å
237I97.1Very high96.3Very high115 Ų115102 Ų10259%0.5949%0.489SS*.Hα-helixtrans-64.8-47.2174.2-68.5163.6000111.1N233 E235 K239 T240 A241N233-I237 WeakPolarHBondContact O-CB 3.33Å; N233-I237 WeakPolarHBondContact O-CD1 2.75Å; N233-I237 VanDerWaalsContact O-CG1 3.26Å; N233-I237 WeakPolarHBondContact O-CG1 3.2Å; N233-I237 PolarHBondContact O-N 2.87Å; E235-I237 VanDerWaalsContact C-N 3.27Å; E235-I237 PolarHBondContact O-N 2.96Å; I237-K239 PolarHBondContact O-N 3.42Å; I237-T240 PolarHBondContact O-N 2.84Å; I237-T240 PolarHBondContact O-OG1 2.84Å; I237-T240 VanDerWaalsContact O-OG1 3.09Å; I237-A241 VanDerWaalsContact O-CB 3.24Å; I237-A241 WeakPolarHBondContact O-CB 3.36Å; I237-A241 PolarHBondContact O-N 3.43Å
238K97.5Very high96.5Very high148 Ų148102.9 Ų102.964%0.64349%0.493SS*.Hα-helixtrans-60.1-46.2176.1-73.7167.5-177.1176.90112.1A234 E235 T240 A241 E242A234-K238 WeakPolarHBondContact O-CB 3.32Å; A234-K238 VanDerWaalsContact O-CG 3.26Å; A234-K238 WeakPolarHBondContact O-CG 3.29Å; A234-K238 PolarHBondContact O-N 3.45Å; E235-K238 PolarHBondContact O-N 3.34Å; K238-T240 PolarHBondContact O-N 2.9Å; K238-A241 PolarHBondContact O-N 3.45Å; K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 2.92Å
239K97.4Very high96.7Very high130 Ų130103.9 Ų103.957%0.56550%0.498SS*.Hα-helixtrans-62.2-41.8179.2-73.3162.8176.8167.30112E235 I237 L243E235-K239 WeakPolarHBondContact O-CB 3.35Å; E235-K239 WeakPolarHBondContact O-CD 3.28Å; E235-K239 VanDerWaalsContact O-CG 3.26Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 2.89Å; E235-K239 IonicContact OE2-NZ 3.37Å; E235-K239 PolarHBondContact OE2-NZ 3.25Å; I237-K239 PolarHBondContact O-N 3.42Å; K239-L243 WeakPolarHBondContact O-CB 3.31Å; K239-L243 PolarHBondContact O-N 3.48Å
240T96.1Very high96.8Very high89 Ų89108.1 Ų108.155%0.54651%0.513SS..Hα-helixtrans-75.2-35.7177.449.30000113.2K236 I237 K238 R244K236-T240 WeakPolarHBondContact O-CB 3.4Å; K236-T240 WeakPolarHBondContact O-CG2 3.23Å; K236-T240 PolarHBondContact O-N 3.47Å; K236-T240 PolarHBondContact O-OG1 3.34Å; I237-T240 PolarHBondContact O-N 2.84Å; I237-T240 PolarHBondContact O-OG1 2.84Å; I237-T240 VanDerWaalsContact O-OG1 3.09Å; K238-T240 PolarHBondContact O-N 2.9Å; T240-R244 WeakPolarHBondContact O-CB 3.06Å; T240-R244 PolarHBondContact O-N 3.06Å
241A97.1Very high96.9Very high56 Ų56108.9 Ų108.946%0.46352%0.516SS..Hα-helixtrans-64.5-43.5173.300000112.1I237 K238 R244 R245I237-A241 VanDerWaalsContact O-CB 3.24Å; I237-A241 WeakPolarHBondContact O-CB 3.36Å; I237-A241 PolarHBondContact O-N 3.43Å; K238-A241 PolarHBondContact O-N 3.45Å; A241-R244 WeakPolarHBondContact O-CB 3.43Å; A241-R244 PolarHBondContact O-N 2.99Å; A241-R245 PolarHBondContact O-N 2.79Å
242E97.4Very high97Very high79 Ų79106.6 Ų106.637%0.36952%0.515SS..Hα-helixtrans-67.5-41.3176.8178.651.9-152.400111.9K238 R244 R245 Q246K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 2.92Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 3.07Å; E242-R245 WeakPolarHBondContact O-CB 3.13Å; E242-R245 PolarHBondContact O-N 3.02Å; E242-R245 VanDerWaalsContact O-N 3.1Å; E242-R245 WeakPolarHBondContact OE2-CD 3.5Å; E242-Q246 WeakPolarHBondContact O-CG 3.37Å; E242-Q246 PolarHBondContact O-N 3.4Å; E242-Q246 VanDerWaalsContact OE1-CG 3.3Å; E242-Q246 WeakPolarHBondContact OE1-CG 3.06Å; E242-Q246 PolarHBondContact OE1-NE2 3.36Å
243L97.8Very high97Very high95 Ų95108.2 Ų108.250%0.49752%0.521SS..Hα-helixtrans-57.3-42.1171.5-18061.7000111.7K239 Q246 Q247K239-L243 WeakPolarHBondContact O-CB 3.31Å; K239-L243 PolarHBondContact O-N 3.48Å; L243-Q246 PolarHBondContact O-N 3.4Å; L243-Q247 WeakPolarHBondContact O-CB 3.28Å; L243-Q247 VanDerWaalsContact O-CG 3.31Å; L243-Q247 WeakPolarHBondContact O-CG 3.18Å; L243-Q247 PolarHBondContact O-N 2.93Å
244R97.4Very high97Very high174 Ų174110.8 Ų110.866%0.65753%0.532SS*.Hα-helixtrans-66.9-35.3175.8-167.3179.3-175.4-163.70.8112.3T240 A241 E242 K248T240-R244 WeakPolarHBondContact O-CB 3.06Å; T240-R244 PolarHBondContact O-N 3.06Å; A241-R244 WeakPolarHBondContact O-CB 3.43Å; A241-R244 PolarHBondContact O-N 2.99Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 3.07Å; R244-K248 PolarHBondContact O-N 3.01Å
245R97.7Very high96.9Very high163 Ų163111.2 Ų111.262%0.61554%0.536SS*.Hα-helixtrans-63.7-47.5172.5-170.5-174.5-171.4168.74.6110.9A241 E242 Q247 K248 L249A241-R245 PolarHBondContact O-N 2.79Å; E242-R245 WeakPolarHBondContact O-CB 3.13Å; E242-R245 PolarHBondContact O-N 3.02Å; E242-R245 VanDerWaalsContact O-N 3.1Å; E242-R245 WeakPolarHBondContact OE2-CD 3.5Å; R245-Q247 VanDerWaalsContact C-N 3.35Å; R245-Q247 PolarHBondContact O-N 2.78Å; R245-K248 PolarHBondContact O-N 2.89Å; R245-L249 HydrophobicContact CG-CD1 4.13Å; R245-L249 WeakPolarHBondContact O-CG 3.3Å; R245-L249 PolarHBondContact O-N 3.47Å
246Q97.4Very high96.9Very high82 Ų82111.8 Ų111.838%0.38354%0.538SS..Hα-helixtrans-65.4-35.9177.7-67.8-179.519.400112.6E242 L243 L249 K250E242-Q246 WeakPolarHBondContact O-CG 3.37Å; E242-Q246 PolarHBondContact O-N 3.4Å; E242-Q246 VanDerWaalsContact OE1-CG 3.3Å; E242-Q246 WeakPolarHBondContact OE1-CG 3.06Å; E242-Q246 PolarHBondContact OE1-NE2 3.36Å; L243-Q246 PolarHBondContact O-N 3.4Å; Q246-L249 PolarHBondContact O-N 3.23Å; Q246-K250 WeakPolarHBondContact O-CB 3.34Å; Q246-K250 VanDerWaalsContact O-CG 3.27Å; Q246-K250 WeakPolarHBondContact O-CG 3.35Å; Q246-K250 PolarHBondContact O-N 3.35Å
247Q97.2Very high96.8Very high113 Ų113110.3 Ų110.353%0.52853%0.533SS..Hα-helixtrans-62.9-47.4171.9-75.8171.6-8.700111.6L243 R245 L249 K250 Q251L243-Q247 WeakPolarHBondContact O-CB 3.28Å; L243-Q247 VanDerWaalsContact O-CG 3.31Å; L243-Q247 WeakPolarHBondContact O-CG 3.18Å; L243-Q247 PolarHBondContact O-N 2.93Å; R245-Q247 VanDerWaalsContact C-N 3.35Å; R245-Q247 PolarHBondContact O-N 2.78Å; Q247-L249 PolarHBondContact O-N 2.57Å; Q247-K250 PolarHBondContact O-N 2.73Å; Q247-Q251 WeakPolarHBondContact O-CB 3.32Å; Q247-Q251 PolarHBondContact O-N 3.31Å
248K97.1Very high96.6Very high141 Ų141112.7 Ų112.761%0.61354%0.536SS*.Hα-helixtrans-57.8-47.2173.4-79.7-171.2170.2-164.50112.1R244 R245 K250 Q251 A252R244-K248 PolarHBondContact O-N 3.01Å; R245-K248 PolarHBondContact O-N 2.89Å; K248-K250 PolarHBondContact O-N 2.8Å; K248-Q251 PolarHBondContact O-N 2.81Å; K248-A252 WeakPolarHBondContact O-CB 3.23Å; K248-A252 PolarHBondContact O-N 3.21Å
249L97.6Very high96.4Very high102 Ų102112 Ų11253%0.53453%0.533SS..Hα-helixtrans-63.9-40.1179.8-72.8169.8000112.4R245 Q246 Q247 A252 K253R245-L249 HydrophobicContact CG-CD1 4.13Å; R245-L249 WeakPolarHBondContact O-CG 3.3Å; R245-L249 PolarHBondContact O-N 3.47Å; Q246-L249 PolarHBondContact O-N 3.23Å; Q247-L249 PolarHBondContact O-N 2.57Å; L249-A252 PolarHBondContact O-N 3.25Å; L249-K253 WeakPolarHBondContact O-CG 3.41Å; L249-K253 PolarHBondContact O-N 2.98Å
250K97.4Very high96.2Very high139 Ų139111.8 Ų111.860%0.60453%0.534SS*.Hα-helixtrans-64.7-44173.4-74.9170.4179.3175.90111.5Q246 Q247 K248 A252 K253 M254Q246-K250 WeakPolarHBondContact O-CB 3.34Å; Q246-K250 VanDerWaalsContact O-CG 3.27Å; Q246-K250 WeakPolarHBondContact O-CG 3.35Å; Q246-K250 PolarHBondContact O-N 3.35Å; Q247-K250 PolarHBondContact O-N 2.73Å; K248-K250 PolarHBondContact O-N 2.8Å; K250-A252 VanDerWaalsContact C-N 3.34Å; K250-A252 PolarHBondContact O-N 3.39Å; K250-K253 PolarHBondContact O-N 3.12Å; K250-M254 VanDerWaalsContact O-CG 3.32Å; K250-M254 WeakPolarHBondContact O-CG 3.48Å; K250-M254 PolarHBondContact O-N 2.88Å
251Q96.1Very high95.9Very high148 Ų148113.6 Ų113.669%0.69254%0.536SS*.Hα-helixtrans-64.4-38.8177.4-171.3176.412.600112.1Q247 K248 A255Q247-Q251 WeakPolarHBondContact O-CB 3.32Å; Q247-Q251 PolarHBondContact O-N 3.31Å; K248-Q251 PolarHBondContact O-N 2.81Å; Q251-A255 WeakPolarHBondContact O-CB 3.28Å; Q251-A255 PolarHBondContact O-N 2.91Å; Q251-A255 VanDerWaalsContact O-N 3.14Å
252A96.7Very high95.6Very high55 Ų55113.1 Ų113.146%0.45553%0.529SS..Hα-helixtrans-62.6-48.317400000111.4K248 L249 K250 A255 E256K248-A252 WeakPolarHBondContact O-CB 3.23Å; K248-A252 PolarHBondContact O-N 3.21Å; L249-A252 PolarHBondContact O-N 3.25Å; K250-A252 VanDerWaalsContact C-N 3.34Å; K250-A252 PolarHBondContact O-N 3.39Å; A252-A255 CarbonylContact O-C 3.56Å; A252-A255 WeakPolarHBondContact O-CB 3.33Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-A255 VanDerWaalsContact O-N 3.11Å; A252-E256 WeakPolarHBondContact O-CB 3.42Å; A252-E256 PolarHBondContact O-N 3.42Å
253K97.4Very high95.3Very high127 Ų127118.9 Ų118.955%0.55255%0.548SS*.Hα-helixtrans-60.4-46.5176.4-77-166.2167-144.10113.4L249 K250 A255 E256 E257L249-K253 WeakPolarHBondContact O-CG 3.41Å; L249-K253 PolarHBondContact O-N 2.98Å; K250-K253 PolarHBondContact O-N 3.12Å; K253-A255 PolarHBondContact O-N 2.86Å; K253-E256 WeakPolarHBondContact O-CB 3.48Å; K253-E256 PolarHBondContact O-N 2.94Å; K253-E257 WeakPolarHBondContact O-CB 3.38Å; K253-E257 VanDerWaalsContact O-CG 3.29Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 3.49Å
254M95.4Very high95Very high122 Ų122117.3 Ų117.360%0.60155%0.548SS*.Hα-helixtrans-59.5-31175.2-66.7-59.9-42.700112.5K250 Y258K250-M254 VanDerWaalsContact O-CG 3.32Å; K250-M254 WeakPolarHBondContact O-CG 3.48Å; K250-M254 PolarHBondContact O-N 2.88Å; M254-Y258 WeakPolarHBondContact O-CB 3.17Å; M254-Y258 PolarHBondContact O-N 3.2Å
255A94.6Very high94.7Very high48 Ų48111.7 Ų111.740%0.39754%0.539SS..Hα-helixtrans-81.8-25.5176.100000113.4Q251 A252 K253 K259Q251-A255 WeakPolarHBondContact O-CB 3.28Å; Q251-A255 PolarHBondContact O-N 2.91Å; Q251-A255 VanDerWaalsContact O-N 3.14Å; A252-A255 CarbonylContact O-C 3.56Å; A252-A255 WeakPolarHBondContact O-CB 3.33Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-A255 VanDerWaalsContact O-N 3.11Å; K253-A255 PolarHBondContact O-N 2.86Å; A255-K259 VanDerWaalsContact O-CG 3.27Å; A255-K259 WeakPolarHBondContact O-CG 3.49Å; A255-K259 PolarHBondContact O-N 2.8Å
256E94.9Very high94.3Very high112 Ų112109.9 Ų109.952%0.52354%0.539SS..Hα-helixtrans-72.9-52.5171.9-172.8168-135.600110.1A252 K253 Y258 K259 E260A252-E256 WeakPolarHBondContact O-CB 3.42Å; A252-E256 PolarHBondContact O-N 3.42Å; K253-E256 WeakPolarHBondContact O-CB 3.48Å; K253-E256 PolarHBondContact O-N 2.94Å; E256-Y258 VanDerWaalsContact C-N 3.25Å; E256-Y258 PolarHBondContact O-N 3.4Å; E256-K259 CarbonylContact O-C 3.35Å; E256-K259 WeakPolarHBondContact O-CA 3.45Å; E256-K259 WeakPolarHBondContact O-CB 3.1Å; E256-K259 PolarHBondContact O-N 3Å; E256-E260 PolarHBondContact O-N 3.18Å
257E95.3Very high94.2Very high79 Ų79108.1 Ų108.137%0.36954%0.536SS..Hα-helixtrans-54.4-38.4173.4-68.8165-155.300112.2K253 Q261K253-E257 WeakPolarHBondContact O-CB 3.38Å; K253-E257 VanDerWaalsContact O-CG 3.29Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 3.49Å; E257-Q261 WeakPolarHBondContact O-CB 3.3Å; E257-Q261 WeakPolarHBondContact O-CG 3.45Å; E257-Q261 PolarHBondContact O-N 3.3Å; E257-Q261 PolarHBondContact O-NE2 3.44Å
258Y93.7Very high93.9Very high165 Ų165109.6 Ų109.665%0.64754%0.543SS*.Hα-helixtrans-69.9-36.3174.7179.6-105.6000113.2M254 E256 S262M254-Y258 WeakPolarHBondContact O-CB 3.17Å; M254-Y258 PolarHBondContact O-N 3.2Å; E256-Y258 VanDerWaalsContact C-N 3.25Å; E256-Y258 PolarHBondContact O-N 3.4Å; Y258-S262 PolarHBondContact O-N 2.85Å; Y258-S262 PolarHBondContact O-OG 3.44Å
259K93.6Very high93.7Very high134 Ų134107 Ų10758%0.58354%0.535SS*.Hα-helixtrans-66.5-45.2172.5-75.1168.9-179.2-176.90111A255 E256 Q261 S262 W263A255-K259 VanDerWaalsContact O-CG 3.27Å; A255-K259 WeakPolarHBondContact O-CG 3.49Å; A255-K259 PolarHBondContact O-N 2.8Å; E256-K259 CarbonylContact O-C 3.35Å; E256-K259 WeakPolarHBondContact O-CA 3.45Å; E256-K259 WeakPolarHBondContact O-CB 3.1Å; E256-K259 PolarHBondContact O-N 3Å; K259-Q261 VanDerWaalsContact C-N 3.34Å; K259-Q261 PolarHBondContact O-N 3.3Å; K259-S262 WeakPolarHBondContact CA-OG 3.45Å; K259-S262 PolarHBondContact O-N 2.87Å; K259-S262 PolarHBondContact O-OG 3.08Å; K259-W263 WeakPolarHBondContact O-CB 3.44Å; K259-W263 PolarHBondContact O-N 3.33Å
260E91.4Very high93.4Very high125 Ų125107 Ų10758%0.58453%0.533SS*.Hα-helixtrans-58-45175.8-69-178.8155.700111.6E256 S262 W263 A264E256-E260 PolarHBondContact O-N 3.18Å; E260-S262 PolarHBondContact O-N 3.46Å; E260-W263 PolarHBondContact O-N 3.05Å; E260-A264 WeakPolarHBondContact O-CB 3.44Å; E260-A264 PolarHBondContact O-N 2.98Å
261Q90.4Very high93.2Very high126 Ų126106 Ų10659%0.58953%0.528SS*.Hα-helixtrans-61.8-42.4176.2-74.3166.733.100112.7E257 K259 A265E257-Q261 WeakPolarHBondContact O-CB 3.3Å; E257-Q261 WeakPolarHBondContact O-CG 3.45Å; E257-Q261 PolarHBondContact O-N 3.3Å; E257-Q261 PolarHBondContact O-NE2 3.44Å; K259-Q261 VanDerWaalsContact C-N 3.34Å; K259-Q261 PolarHBondContact O-N 3.3Å; Q261-A265 WeakPolarHBondContact O-CB 3.45Å; Q261-A265 PolarHBondContact O-N 3.27Å; Q261-A265 VanDerWaalsContact O-N 3.08Å
262S92.1Very high93.1Very high46 Ų46104.4 Ų104.432%0.32252%0.521SS..Hα-helixtrans-70.3-37.5176.758.50000113Y258 K259 E260 A265 M266Y258-S262 PolarHBondContact O-N 2.85Å; Y258-S262 PolarHBondContact O-OG 3.44Å; K259-S262 WeakPolarHBondContact CA-OG 3.45Å; K259-S262 PolarHBondContact O-N 2.87Å; K259-S262 PolarHBondContact O-OG 3.08Å; E260-S262 PolarHBondContact O-N 3.46Å; S262-A265 PolarHBondContact O-N 2.88Å; S262-M266 WeakPolarHBondContact O-CB 3.34Å; S262-M266 VanDerWaalsContact O-CG 3.28Å; S262-M266 WeakPolarHBondContact O-CG 3.2Å; S262-M266 PolarHBondContact O-N 2.83Å
263W90.6Very high92.8Very high200 Ų200106.8 Ų106.876%0.75853%0.525SS*.Hα-helixtrans-65.9-40.3174.1-79.224.6000112K259 E260 M266 S267K259-W263 WeakPolarHBondContact O-CB 3.44Å; K259-W263 PolarHBondContact O-N 3.33Å; E260-W263 PolarHBondContact O-N 3.05Å; W263-M266 PolarHBondContact O-N 3.1Å; W263-S267 WeakPolarHBondContact O-CB 3.36Å; W263-S267 PolarHBondContact O-N 3.22Å
264A91Very high92.5Very high62 Ų62105.7 Ų105.751%0.51252%0.522SS..Hα-helixtrans-61.2-48.2174.600000111.4E260 M266 S267 E268E260-A264 WeakPolarHBondContact O-CB 3.44Å; E260-A264 PolarHBondContact O-N 2.98Å; A264-M266 PolarHBondContact O-N 3.44Å; A264-S267 PolarHBondContact O-N 3.01Å; A264-E268 PolarHBondContact O-N 2.86Å
265A92Very high92.4Very high56 Ų56106.9 Ų106.946%0.46353%0.526SS..Hα-helixtrans-63.1-40177.300000112.8Q261 S262 E268 L269Q261-A265 WeakPolarHBondContact O-CB 3.45Å; Q261-A265 PolarHBondContact O-N 3.27Å; Q261-A265 VanDerWaalsContact O-N 3.08Å; S262-A265 PolarHBondContact O-N 2.88Å; A265-E268 PolarHBondContact O-N 3.42Å; A265-L269 PolarHBondContact O-N 3.47Å
266M88.8Confident92Very high126 Ų126108 Ų10862%0.62153%0.525SS*.Hα-helixtrans-62.7-43173.8-75.3-63.5-58.200111.9S262 W263 A264 E268 L269 E270S262-M266 WeakPolarHBondContact O-CB 3.34Å; S262-M266 VanDerWaalsContact O-CG 3.28Å; S262-M266 WeakPolarHBondContact O-CG 3.2Å; S262-M266 PolarHBondContact O-N 2.83Å; W263-M266 PolarHBondContact O-N 3.1Å; A264-M266 PolarHBondContact O-N 3.44Å; M266-E268 VanDerWaalsContact C-N 3.3Å; M266-E268 PolarHBondContact O-N 2.92Å; M266-L269 PolarHBondContact O-N 3.28Å; M266-E270 WeakPolarHBondContact O-CB 3.46Å; M266-E270 PolarHBondContact O-N 3.33Å
267S94.2Very high91.6Very high44 Ų44109.4 Ų109.431%0.30853%0.531SS..Hα-helixtrans-72.1-22.1177.9-169.60000113.1W263 A264 K271W263-S267 WeakPolarHBondContact O-CB 3.36Å; W263-S267 PolarHBondContact O-N 3.22Å; A264-S267 PolarHBondContact O-N 3.01Å; S267-K271 VanDerWaalsContact O-CG 3.31Å; S267-K271 WeakPolarHBondContact O-CG 3.44Å; S267-K271 PolarHBondContact O-N 3.3Å; S267-K271 PolarHBondContact O-NZ 3.32Å; S267-K271 PolarHBondContact OG-NZ 3.03Å
268E92.8Very high91.2Very high145 Ų145108.5 Ų108.568%0.67854%0.538SS*.Hα-helixtrans-74.5-46.8171.6-169161.8-140.700110.7A264 A265 M266 E270 K271 E272A264-E268 PolarHBondContact O-N 2.86Å; A265-E268 PolarHBondContact O-N 3.42Å; M266-E268 VanDerWaalsContact C-N 3.3Å; M266-E268 PolarHBondContact O-N 2.92Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-E270 PolarHBondContact O-N 3.06Å; E268-K271 PolarHBondContact O-N 3Å; E268-E272 PolarHBondContact O-N 3.42Å; E268-E272 VanDerWaalsContact O-N 3.07Å
269L90.9Very high90.8Very high85 Ų85106.2 Ų106.245%0.44553%0.533SS..Hα-helixtrans-62.2-37.5174.4-177.265.4000112.9A265 M266 K271 E272 L273A265-L269 PolarHBondContact O-N 3.47Å; M266-L269 PolarHBondContact O-N 3.28Å; L269-K271 VanDerWaalsContact C-N 3.33Å; L269-K271 PolarHBondContact O-N 3.03Å; L269-E272 PolarHBondContact O-N 3.12Å; L269-L273 HydrophobicContact CG-CD1 4.38Å; L269-L273 WeakPolarHBondContact O-CG 3.35Å; L269-L273 PolarHBondContact O-N 3.39Å
270E92.4Very high90.1Very high104 Ų104107 Ų10749%0.48653%0.533SS..Hα-helixtrans-61.2-39.5174.7-178.7179.5-15100112.1M266 E268 L273 Q274M266-E270 WeakPolarHBondContact O-CB 3.46Å; M266-E270 PolarHBondContact O-N 3.33Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-E270 PolarHBondContact O-N 3.06Å; E270-L273 PolarHBondContact O-N 2.89Å; E270-Q274 WeakPolarHBondContact O-CG 3.48Å; E270-Q274 PolarHBondContact O-N 3.47Å
271K94.1Very high89.6Confident116 Ų116103.2 Ų103.250%0.50453%0.528SS..Hα-helixtrans-70.4-38.5175.9-69176.1-163.485.10112S267 E268 L269 L273 Q274 Q275S267-K271 VanDerWaalsContact O-CG 3.31Å; S267-K271 WeakPolarHBondContact O-CG 3.44Å; S267-K271 PolarHBondContact O-N 3.3Å; S267-K271 PolarHBondContact O-NZ 3.32Å; S267-K271 PolarHBondContact OG-NZ 3.03Å; E268-K271 PolarHBondContact O-N 3Å; L269-K271 VanDerWaalsContact C-N 3.33Å; L269-K271 PolarHBondContact O-N 3.03Å; K271-L273 VanDerWaalsContact C-N 3.34Å; K271-Q274 PolarHBondContact O-N 3.49Å; K271-Q275 VanDerWaalsContact O-CB 3.28Å; K271-Q275 WeakPolarHBondContact O-CB 3.27Å; K271-Q275 PolarHBondContact O-N 3.46Å
272E93.6Very high88.8Confident115 Ų115105.5 Ų105.554%0.53754%0.539SS..Hα-helixtrans-61.8-43.5173.8-172.6173.1-153.200110.7E268 L269 Q275 I276E268-E272 PolarHBondContact O-N 3.42Å; E268-E272 VanDerWaalsContact O-N 3.07Å; L269-E272 PolarHBondContact O-N 3.12Å; E272-Q275 PolarHBondContact O-N 2.74Å; E272-I276 HydrophobicContact CG-CD1 3.98Å; E272-I276 WeakPolarHBondContact O-CB 3.45Å; E272-I276 VanDerWaalsContact O-CG1 3.25Å; E272-I276 WeakPolarHBondContact O-CG1 3.16Å; E272-I276 PolarHBondContact O-N 3.46Å
273L89.4Confident87.7Confident106 Ų106109.8 Ų109.856%0.55555%0.554SS**Hα-helixtrans-61.4-47.9173.8-78.3166.3000112.8L269 E270 K271 Q275 I276 E277L269-L273 HydrophobicContact CG-CD1 4.38Å; L269-L273 WeakPolarHBondContact O-CG 3.35Å; L269-L273 PolarHBondContact O-N 3.39Å; E270-L273 PolarHBondContact O-N 2.89Å; K271-L273 VanDerWaalsContact C-N 3.34Å; L273-Q275 VanDerWaalsContact C-N 3.27Å; L273-Q275 PolarHBondContact O-N 3.04Å; L273-I276 PolarHBondContact O-N 3.36Å; L273-E277 WeakPolarHBondContact O-CB 3.32Å; L273-E277 PolarHBondContact O-N 2.93Å
274Q90.5Very high86.4Confident104 Ų104108.6 Ų108.649%0.48655%0.554SS.*Hα-helixtrans-61.8-35.1176.3-73.61717.100112.3E270 K271 A278E270-Q274 WeakPolarHBondContact O-CG 3.48Å; E270-Q274 PolarHBondContact O-N 3.47Å; K271-Q274 PolarHBondContact O-N 3.49Å; Q274-A278 WeakPolarHBondContact O-CB 3.47Å; Q274-A278 PolarHBondContact O-N 2.86Å
275Q93.3Very high84.7Confident146 Ų146108.5 Ų108.568%0.68256%0.559SS**Hα-helixtrans-73-36.2177.5-171.7165.54.500112K271 E272 L273 Q279K271-Q275 VanDerWaalsContact O-CB 3.28Å; K271-Q275 WeakPolarHBondContact O-CB 3.27Å; K271-Q275 PolarHBondContact O-N 3.46Å; E272-Q275 PolarHBondContact O-N 2.74Å; L273-Q275 VanDerWaalsContact C-N 3.27Å; L273-Q275 PolarHBondContact O-N 3.04Å; Q275-Q279 WeakPolarHBondContact O-CB 3.4Å; Q275-Q279 PolarHBondContact O-N 3.12Å
276I87Confident82.3Confident72 Ų72112.7 Ų112.737%0.36957%0.574SS.*Hα-helixtrans-67.5-43171.6-71.1165.8000110.8E272 L273 Q279 Y280E272-I276 HydrophobicContact CG-CD1 3.98Å; E272-I276 WeakPolarHBondContact O-CB 3.45Å; E272-I276 VanDerWaalsContact O-CG1 3.25Å; E272-I276 WeakPolarHBondContact O-CG1 3.16Å; E272-I276 PolarHBondContact O-N 3.46Å; L273-I276 PolarHBondContact O-N 3.36Å; I276-Q279 PolarHBondContact O-N 2.88Å; I276-Y280 HydrophobicContact CG2-CD2 3.66Å; I276-Y280 HydrophobicContact CG2-CE2 3.59Å; I276-Y280 VanDerWaalsContact O-CD2 3.3Å; I276-Y280 WeakPolarHBondContact O-CD2 3.37Å; I276-Y280 PolarHBondContact O-N 3.26Å
277E86.1Confident79.8Confident142 Ų142113 Ų11366%0.66458%0.583SS**Hα-helixtrans-60.6-47.2175.9-178.4176.4-158.300111.3L273 Q279 Y280 G281L273-E277 WeakPolarHBondContact O-CB 3.32Å; L273-E277 PolarHBondContact O-N 2.93Å; E277-Q279 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.84Å; E277-Y280 PolarHBondContact O-N 2.81Å; E277-G281 PolarHBondContact O-N 2.91Å
278A87.8Confident77.3Confident60 Ų60115 Ų11550%0.49660%0.597SS.*Hα-helixtrans-60.9-41174.200000112.2Q274 G281 E282Q274-A278 WeakPolarHBondContact O-CB 3.47Å; Q274-A278 PolarHBondContact O-N 2.86Å; A278-G281 CarbonylContact O-C 3.4Å; A278-G281 WeakPolarHBondContact O-CA 3.42Å; A278-G281 PolarHBondContact O-N 3.36Å; A278-E282 PolarHBondContact O-N 3.03Å
279Q85.9Confident75Confident116 Ų116117.3 Ų117.354%0.54261%0.608SS.*Hα-helixtrans-66.1-41.4177.6-174.1178.3-19.700112.3Q275 I276 E277 G281 E282 E283Q275-Q279 WeakPolarHBondContact O-CB 3.4Å; Q275-Q279 PolarHBondContact O-N 3.12Å; I276-Q279 PolarHBondContact O-N 2.88Å; E277-Q279 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.84Å; Q279-G281 VanDerWaalsContact C-N 3.29Å; Q279-G281 PolarHBondContact O-N 3.39Å; Q279-E282 PolarHBondContact O-N 2.96Å; Q279-E283 WeakPolarHBondContact O-CB 3.17Å; Q279-E283 PolarHBondContact O-N 3.48Å
280Y78.6Confident72.3Confident150 Ų150118.3 Ų118.359%0.58862%0.622SS**Hα-helixtrans-66-33.3171.3-81.7-63.8000112.1I276 E277 E282 E283 F284I276-Y280 HydrophobicContact CG2-CD2 3.66Å; I276-Y280 HydrophobicContact CG2-CE2 3.59Å; I276-Y280 VanDerWaalsContact O-CD2 3.3Å; I276-Y280 WeakPolarHBondContact O-CD2 3.37Å; I276-Y280 PolarHBondContact O-N 3.26Å; E277-Y280 PolarHBondContact O-N 2.81Å; Y280-E282 VanDerWaalsContact C-N 3.31Å; Y280-E282 PolarHBondContact O-N 2.98Å; Y280-E283 PolarHBondContact O-N 2.88Å; Y280-F284 WeakPolarHBondContact O-CB 3.38Å; Y280-F284 PolarHBondContact O-N 2.72Å
281G80.1Confident69.9Low47 Ų47122.3 Ų122.349%0.48564%0.641SS.*Hα-helixtrans-62.5-32.5171.300000113.6E277 A278 Q279 G285E277-G281 PolarHBondContact O-N 2.91Å; A278-G281 CarbonylContact O-C 3.4Å; A278-G281 WeakPolarHBondContact O-CA 3.42Å; A278-G281 PolarHBondContact O-N 3.36Å; Q279-G281 VanDerWaalsContact C-N 3.29Å; Q279-G281 PolarHBondContact O-N 3.39Å; G281-G285 WeakPolarHBondContact O-CA 3.19Å; G281-G285 PolarHBondContact O-N 2.97Å
282E74Confident67.3Low174 Ų174125.6 Ų125.681%0.81366%0.658SS**Hα-helixtrans-82.1-37.4171.9-69.6-171.6153.100112.9A278 Q279 Y280A278-E282 PolarHBondContact O-N 3.03Å; Q279-E282 PolarHBondContact O-N 2.96Å; Y280-E282 VanDerWaalsContact C-N 3.31Å; Y280-E282 PolarHBondContact O-N 2.98Å
283E69.3Low64.3Low136 Ų136128.4 Ų128.464%0.63667%0.671SS**Hα-helixtrans-82-24.7-174.2-170.7166.1-162.900113.9Q279 Y280Q279-E283 WeakPolarHBondContact O-CB 3.17Å; Q279-E283 PolarHBondContact O-N 3.48Å; Y280-E283 PolarHBondContact O-N 2.88Å
284F62.4Low62.1Low174 Ų174132.8 Ų132.876%0.76369%0.689SS**SBendtrans-1175.1175.7-102.9-101.7000113.8Y280 D286Y280-F284 WeakPolarHBondContact O-CB 3.38Å; Y280-F284 PolarHBondContact O-N 2.72Å; F284-D286 VanDerWaalsContact C-N 3.31Å; F284-D286 PolarHBondContact O-N 2.78Å
285G54.7Low59.4Low60 Ų60133.6 Ų133.662%0.61970%0.7SS**  trans-82.230.9-174.300000117.4G281G281-G285 WeakPolarHBondContact O-CA 3.19Å; G281-G285 PolarHBondContact O-N 2.97Å
286D41.9Very low56.7Low144 Ų144133.2 Ų133.277%0.7770%0.703SS**  trans-137107158.6-173.84.3000110.5F284 S288F284-D286 VanDerWaalsContact C-N 3.31Å; F284-D286 PolarHBondContact O-N 2.78Å; D286-S288 PolarHBondContact OD1-N 3.37Å
287T37.1Very low54.2Low133 Ų133136.1 Ų136.182%0.81672%0.724SS**  trans-138.555.4164.4174.20000109.9
288S41.7Very low51.7Low87 Ų87135.3 Ų135.361%0.60872%0.724SS**  trans66.3129155.2-148.50000118.2D286 S290D286-S288 PolarHBondContact OD1-N 3.37Å; S288-S290 PolarHBondContact O-N 3.08Å
289E43.6Very low49.2Very low192 Ų192137.1 Ų137.190%0.89773%0.729SS**  trans-56.9128.7141.7-64.4175128.500108.1
290S34.6Very low46.5Very low107 Ų107141.2 Ų141.275%0.74875%0.745SS**  trans-140.8100.1160.853.10000108.1S288S288-S290 PolarHBondContact O-N 3.08Å
291E42.2Very low44.7Very low188 Ų188141.8 Ų141.888%0.87975%0.753SS**  trans-55.2140.4157.2-51.4175.3136.400109
292E39.3Very low42.5Very low184 Ų184147.8 Ų147.886%0.8677%0.766SS**  -170153.8125.3-74.7-141.1176.600109.2
293E32Very low40.3Very low175 Ų175145.8 Ų145.882%0.81876%0.761SS**  trans57.991.9172.8-55.5-154135.500119.9
294E41.5Very low38.4Very low197 Ų197144.2 Ų144.292%0.92177%0.765SS**  trans-70.2133149.1-68.1-165.1169.600110.8
295V33.6Very low36.8Very low121 Ų121143.9 Ų143.973%0.73377%0.766SS**  trans-129.9105163.5-175.60000109.6
296D37.3Very low35.7Very low139 Ų139150 Ų15074%0.74377%0.771SS**  trans-70.1122.7178.51793.9000111.9D298D296-D298 PolarHBondContact OD1-N 2.76Å; D296-D298 VanDerWaalsContact OD1-N 3.11Å
297V35.2Very low35.1Very low133 Ų133149.2 Ų149.281%0.80677%0.766SS**  trans-136.784159.8-174.70000109.5
298D33.1Very low34.7Very low124 Ų124146.7 Ų146.766%0.66377%0.767SS**  trans-55.8145.2169.4-176.432.2000114.1D296D296-D298 PolarHBondContact OD1-N 2.76Å; D296-D298 VanDerWaalsContact OD1-N 3.11Å
299T35.4Very low33.9Very low98 Ų98150.1 Ų150.160%0.60178%0.778SS**  trans44.1109154.7-67.90000119.2
300F30.1Very low33.6Very low202 Ų202144.7 Ų144.789%0.88677%0.766SS**  -150.6152.2106.3-137.7-95.6000114.3
301Q39.4Very low33.7Very low162 Ų162148.9 Ų148.976%0.75777%0.774SS**  trans-109.8148.6-177.3-159-179.431.200110.4
302K34.9Very low33.7Very low173 Ų173148.8 Ų148.875%0.75277%0.774SS**  trans90.2114.1148-158.4173.7-176.31750120.1
303N27.4Very low33.9Very low132 Ų132144.7 Ų144.771%0.70676%0.763SS**  trans76.6150.9144.6-69.617.3000122.1
304S28.6Very low34Very low104 Ų104143.3 Ų143.373%0.72776%0.762SS**  trans62.8149.4158.142.70000117.7
305E30.3Very low33.8Very low166 Ų166141.8 Ų141.878%0.77676%0.759SS**  cis-175.8160.1-23.6-117.3177.710700106.1
306R29.9Very low34Very low189 Ų189144.4 Ų144.471%0.71377%0.769SS**  trans71.5147.7149.7-87.7178.1161-81-7.8122.8
307D29.4Very low34.1Very low127 Ų127143.9 Ų143.968%0.67977%0.767SS**  trans52.1125.3151.1-45.8-31.5000117.4
308G29.1Very low34.7Very low81 Ų81143 Ų14384%0.83576%0.764SS**  cis109140.64100000108.5
309D26.1Very low35.1Very low158 Ų158142.6 Ų142.685%0.84577%0.766SS**  cis-165.9157.38.2176.732.9000109.4
310A36.2Very low35.5Very low78 Ų78144.9 Ų144.965%0.64577%0.773SS**  trans55.9150160.400000120.9
311E36.3Very low36.2Very low196 Ų196140.8 Ų140.892%0.91676%0.76SS**  cis-137.1173.34.2-80.5-161.2139.400113.3
312Q43.7Very low36.9Very low185 Ų185138.2 Ų138.286%0.86476%0.759SS**  trans-65.9175.6-180-82.4-178.9-32.900116
313P43Very low37.6Very low99 Ų99139.2 Ų139.264%0.64376%0.759SS**  cis-149.317028.742.6-21.3000121.8
314N33.3Very low39Very low146 Ų146140.2 Ų140.278%0.78177%0.765SS**  trans81.4109.7163.2-45.8-51000118.2
315D38.1Very low40.7Very low164 Ų164141.1 Ų141.188%0.87776%0.762SS**  trans-142.1141158.3-82.5-61.1000109.2
316D36.3Very low43.1Very low176 Ų176135.2 Ų135.294%0.94174%0.735SS**  trans-108.893.8174.3-82.8-62.2000109.3
317D40.8Very low45.8Very low128 Ų128130.5 Ų130.568%0.68472%0.718SS**  trans-110.7127.2176.217846.6000110.7T319D317-T319 VanDerWaalsContact C-N 3.31Å; D317-T319 PolarHBondContact O-N 3.18Å
318P47.1Very low48.5Very low116 Ų116124.8 Ų124.875%0.75369%0.688SS**  trans-74.380.1179.430.8-36.2000112I320P318-I320 PolarHBondContact O-N 3.45Å
319T41.2Very low51Low114 Ų114125.2 Ų125.270%0.69968%0.676SS**  trans-46.4120.2178.1-42.80000112.4D317 D321D317-T319 VanDerWaalsContact C-N 3.31Å; D317-T319 PolarHBondContact O-N 3.18Å; T319-D321 PolarHBondContact O-N 3.23Å
320I44.5Very low53.8Low146 Ų146118.5 Ų118.575%0.74964%0.643SS**  trans-70118.7165.2-77.1178.5000108.6P318 C322P318-I320 PolarHBondContact O-N 3.45Å; I320-C322 PolarHBondContact O-N 2.87Å; I320-C322 VanDerWaalsContact O-N 3.1Å
321D45.3Very low56.1Low117 Ų117115.6 Ų115.663%0.62662%0.617SS**  trans-85.882.2-167.9-1583.4000110.9T319 Y323T319-D321 PolarHBondContact O-N 3.23Å; D321-Y323 VanDerWaalsContact C-N 3.26Å; D321-Y323 HydrophobicContact CB-CD2 4.44Å; D321-Y323 VanDerWaalsContact CG-CE2 3.44Å; D321-Y323 PolarHBondContact O-N 2.87Å; D321-Y323 WeakPolarHBondContact OD1-CD2 3.41Å; D321-Y323 WeakPolarHBondContact OD1-CE2 3.39Å; D321-Y323 VanDerWaalsContact OD2-CE2 3.28Å; D321-Y323 WeakPolarHBondContact OD2-CE2 3.2Å
322C54.3Low58.3Low108 Ų108112 Ų11273%0.7360%0.604SS**  trans-69.268.3-174.1-61.90000113.9I320 D324I320-C322 PolarHBondContact O-N 2.87Å; I320-C322 VanDerWaalsContact O-N 3.1Å; C322-D324 VanDerWaalsContact C-N 3.32Å; C322-D324 PolarHBondContact O-N 2.82Å
323Y49.7Very low60.1Low193 Ų193108.2 Ų108.276%0.75759%0.585SS**  trans-77.372.8174.8-88.5-72.1000113.1D321 D325D321-Y323 VanDerWaalsContact C-N 3.26Å; D321-Y323 HydrophobicContact CB-CD2 4.44Å; D321-Y323 VanDerWaalsContact CG-CE2 3.44Å; D321-Y323 PolarHBondContact O-N 2.87Å; D321-Y323 WeakPolarHBondContact OD1-CD2 3.41Å; D321-Y323 WeakPolarHBondContact OD1-CE2 3.39Å; D321-Y323 VanDerWaalsContact OD2-CE2 3.28Å; D321-Y323 WeakPolarHBondContact OD2-CE2 3.2Å; Y323-D325 PolarHBondContact O-N 3.38Å; Y323-D325 VanDerWaalsContact O-N 3.12Å
324D55.6Low62.1Low153 Ų153107.7 Ų107.782%0.81858%0.584SS**  trans-68.5106.2170.3-93.5-15.9000112.1C322 L326C322-D324 VanDerWaalsContact C-N 3.32Å; C322-D324 PolarHBondContact O-N 2.82Å; D324-L326 PolarHBondContact O-N 3.24Å
325D64.6Low64.6Low124 Ų124102.9 Ų102.966%0.66356%0.556SS**  trans38.779.4143.5-80.8-12.9000119.6Y323 Y327Y323-D325 PolarHBondContact O-N 3.38Å; Y323-D325 VanDerWaalsContact O-N 3.12Å; D325-Y327 PolarHBondContact O-N 3Å
326L81.3Confident66.6Low41 Ų41105.4 Ų105.422%0.21556%0.559CS.*  trans-67.946146.9-75.8163.9000112.1D324 S334 F335 M341D324-L326 PolarHBondContact O-N 3.24Å; L326-S334 CarbonylContact O-C 3.55Å; L326-S334 WeakPolarHBondContact O-CA 3.41Å; L326-F335 HydrophobicContact CB-CB 4.29Å; L326-F335 WeakPolarHBondContact CB-O 3.19Å; L326-F335 WeakPolarHBondContact CD1-O 3.32Å; L326-F335 PolarHBondContact O-N 3.03Å; L326-M341 HydrophobicContact CB-SD 4.26Å; L326-M341 HydrophobicContact CD2-CB 4.17Å; L326-M341 HydrophobicContact CD2-SD 3.59Å; L326-M341 VanDerWaalsContact CD2-SD 3.59Å
327Y86.3Confident68.9Low90 Ų9099.6 Ų99.635%0.35353%0.532SS..EExtended strand (participates in β ladder)trans-96.8142.1-176.5-173.9-103.2000112.9D325 P329 D332 M341D325-Y327 PolarHBondContact O-N 3Å; Y327-P329 HydrophobicContact CD1-CG 3.93Å; Y327-P329 HydrophobicContact CE1-CB 4.27Å; Y327-P329 HydrophobicContact CE1-CG 4.01Å; Y327-D332 VanDerWaalsContact OH-CA 3.32Å; Y327-D332 WeakPolarHBondContact OH-CA 3.25Å; Y327-D332 PolarHBondContact OH-OD1 2.99Å; Y327-M341 WeakPolarHBondContact O-CE 3.43Å
328C86.1Confident70.9Confident8 Ų897.5 Ų97.55%0.05452%0.521CS..EExtended strand (participates in β ladder)trans-117.498.9177.7174.80000111.2A330 C331 D332 K333 F335 H344 H350C328-A330 VanDerWaalsContact C-N 3.31Å; C328-A330 PolarHBondContact O-N 3.32Å; C328-C331 CarbonylContact O-C 3.54Å; C328-C331 PolarHBondContact O-N 3.38Å; C328-C331 VanDerWaalsContact O-N 3.1Å; C328-D332 PolarHBondContact O-N 2.93Å; C328-K333 PolarHBondContact N-O 3.35Å; C328-F335 HydrophobicContact CB-CE2 4.12Å; C328-H344 PolarHBondContact SG-NE2 3.21Å; C328-H350 PolarHBondContact SG-CE1 3.46Å; C328-H350 PolarHBondContact SG-ND1 3.15Å; C328-H350 VanDerWaalsContact SG-ND1 3.36Å
329P82.1Confident72.7Confident90 Ų9099.8 Ų99.858%0.58452%0.519SS*.G310 helixtrans-57-37.8178.7-26.734.8000114Y327 C331Y327-P329 HydrophobicContact CD1-CG 3.93Å; Y327-P329 HydrophobicContact CE1-CB 4.27Å; Y327-P329 HydrophobicContact CE1-CG 4.01Å; P329-C331 PolarHBondContact O-N 2.8Å
330A83.7Confident74.7Confident17 Ų1796.3 Ų96.314%0.1450%0.502CS..G310 helixtrans-71.27.2179.300000114.9C328 M353 V354 L357C328-A330 VanDerWaalsContact C-N 3.31Å; C328-A330 PolarHBondContact O-N 3.32Å; A330-M353 WeakPolarHBondContact O-CB 3.26Å; A330-M353 WeakPolarHBondContact O-CG 3.25Å; A330-V354 HydrophobicContact CB-CB 4.44Å; A330-V354 HydrophobicContact CB-CG2 3.46Å; A330-V354 VanDerWaalsContact CB-CG2 3.46Å; A330-L357 HydrophobicContact CB-CD2 3.93Å
331C84.2Confident76.6Confident17 Ų1791.1 Ų91.112%0.11548%0.475CS..G310 helixtrans-153.45.2179.6-94.90000114.3C328 P329 K333 H344C328-C331 CarbonylContact O-C 3.54Å; C328-C331 PolarHBondContact O-N 3.38Å; C328-C331 VanDerWaalsContact O-N 3.1Å; P329-C331 PolarHBondContact O-N 2.8Å; C331-K333 WeakPolarHBondContact O-CG 3.16Å; C331-K333 PolarHBondContact O-N 3.26Å; C331-K333 PolarHBondContact O-NZ 2.74Å; C331-H344 VanDerWaalsContact CB-NE2 3.32Å; C331-H344 WeakPolarHBondContact CB-NE2 3.22Å; C331-H344 VanDerWaalsContact SG-CE1 3.57Å
332D82.6Confident78.6Confident119 Ų11990.2 Ų90.264%0.63647%0.466SS*.THydrogen-bonded Turntrans41.957.2-174.9-55.6-47.2000115Y327 C328Y327-D332 VanDerWaalsContact OH-CA 3.32Å; Y327-D332 WeakPolarHBondContact OH-CA 3.25Å; Y327-D332 PolarHBondContact OH-OD1 2.99Å; C328-D332 PolarHBondContact O-N 2.93Å
333K82.9Confident80.1Confident106 Ų10690 Ų9046%0.46146%0.457SS..EExtended strand (participates in β ladder)trans-141.3124.4-176.3-77166.7-17073.50112.3C328 C331 F335C328-K333 PolarHBondContact N-O 3.35Å; C331-K333 WeakPolarHBondContact O-CG 3.16Å; C331-K333 PolarHBondContact O-N 3.26Å; C331-K333 PolarHBondContact O-NZ 2.74Å; K333-F335 HydrophobicContact CB-CE2 3.77Å; K333-F335 HydrophobicContact CB-CZ 3.7Å; K333-F335 HydrophobicContact CD-CZ 4.35Å; K333-F335 WeakPolarHBondContact O-CE2 3.35Å
334S84.1Confident81.9Confident89 Ų8982 Ų8262%0.62243%0.426SS*.EExtended strand (participates in β ladder)trans-83.7148.7160.351.40000111.3L326L326-S334 CarbonylContact O-C 3.55Å; L326-S334 WeakPolarHBondContact O-CA 3.41Å
335F85.9Confident83.5Confident44 Ų4478 Ų7819%0.19340%0.403CS..  trans-121.8150.5177.7-64.5-82000110.5L326 C328 K333 S337 A340 M341 H344L326-F335 HydrophobicContact CB-CB 4.29Å; L326-F335 WeakPolarHBondContact CB-O 3.19Å; L326-F335 WeakPolarHBondContact CD1-O 3.32Å; L326-F335 PolarHBondContact O-N 3.03Å; C328-F335 HydrophobicContact CB-CE2 4.12Å; K333-F335 HydrophobicContact CB-CE2 3.77Å; K333-F335 HydrophobicContact CB-CZ 3.7Å; K333-F335 HydrophobicContact CD-CZ 4.35Å; K333-F335 WeakPolarHBondContact O-CE2 3.35Å; F335-S337 VanDerWaalsContact C-N 3.34Å; F335-A340 HydrophobicContact CB-CB 4.22Å; F335-A340 HydrophobicContact CD1-CB 3.99Å; F335-A340 HydrophobicContact CG-CB 4.45Å; F335-M341 HydrophobicContact CB-CB 4.18Å; F335-M341 HydrophobicContact CD2-CB 4.05Å; F335-M341 HydrophobicContact CD2-CG 4.05Å; F335-M341 HydrophobicContact CG-CB 4.19Å; F335-H344 HydrophobicContact CE1-CB 3.77Å; F335-H344 AromaticContact CE1-CG 3.98Å; F335-H344 HydrophobicContact CE2-CB 3.96Å; F335-H344 AromaticContact CE2-CD2 3.56Å; F335-H344 AromaticContact CE2-CG 3.69Å; F335-H344 HydrophobicContact CZ-CB 3.45Å; F335-H344 VanDerWaalsContact CZ-CB 3.45Å; F335-H344 AromaticContact CZ-CD2 3.53Å; F335-H344 AromaticContact CZ-CG 3.19Å; F335-H344 AromaticContact CZ-ND1 3.54Å
336K79.8Confident84.6Confident218 Ų21878.5 Ų78.595%0.94840%0.399SS*.SBendtrans-9415.1179.9-58.7-166.7175.1-163.80114
337S85Confident85Confident54 Ų5478.8 Ų78.838%0.37840%0.404SS..SBendtrans-172.9141.1174.6175.40000110.7F335 K339 A340 M341F335-S337 VanDerWaalsContact C-N 3.34Å; S337-K339 PolarHBondContact O-N 3.16Å; S337-K339 PolarHBondContact OG-N 3.42Å; S337-A340 WeakPolarHBondContact O-CA 3.08Å; S337-A340 WeakPolarHBondContact O-CB 3.42Å; S337-A340 PolarHBondContact O-N 3.36Å; S337-M341 PolarHBondContact O-N 2.95Å; S337-M341 VanDerWaalsContact O-N 3.13Å
338D82.6Confident85.1Confident83 Ų8381.1 Ų81.144%0.44442%0.416SS..Hα-helixtrans-35.6-45.6161.5-81.159.5000114.1A340 M341 K342D338-A340 PolarHBondContact O-N 3.36Å; D338-M341 PolarHBondContact O-N 2.98Å; D338-K342 HydrophobicContact CB-CD 4.31Å; D338-K342 VanDerWaalsContact O-CB 3.26Å; D338-K342 WeakPolarHBondContact O-CB 3.37Å; D338-K342 WeakPolarHBondContact O-CG 3.45Å; D338-K342 PolarHBondContact O-N 2.75Å; D338-K342 IonicContact OD2-NZ 2.65Å; D338-K342 PolarHBondContact OD2-NZ 2.77Å
339K85Confident85.2Confident164 Ų16488.6 Ų88.671%0.71345%0.448SS*.Hα-helixtrans-73-19.2-173.1-158.1170.1-174.4173.30112S337 N343S337-K339 PolarHBondContact O-N 3.16Å; S337-K339 PolarHBondContact OG-N 3.42Å; K339-N343 WeakPolarHBondContact O-CB 3.39Å; K339-N343 PolarHBondContact O-ND2 3.28Å
340A83.9Confident85.6Confident41 Ų4185.5 Ų85.534%0.33943%0.426SS..Hα-helixtrans-83.3-44.2168.400000111.1F335 S337 D338 N343 H344F335-A340 HydrophobicContact CB-CB 4.22Å; F335-A340 HydrophobicContact CD1-CB 3.99Å; F335-A340 HydrophobicContact CG-CB 4.45Å; S337-A340 WeakPolarHBondContact O-CA 3.08Å; S337-A340 WeakPolarHBondContact O-CB 3.42Å; S337-A340 PolarHBondContact O-N 3.36Å; D338-A340 PolarHBondContact O-N 3.36Å; A340-N343 PolarHBondContact O-N 3.14Å; A340-H344 PolarHBondContact O-N 2.93Å
341M84.4Confident85.9Confident37 Ų3791.7 Ų91.718%0.18245%0.446CS..Hα-helixtrans-61.3-50.4177.4-167.9177.5-167.600112L326 Y327 F335 S337 D338 N343 H344 E345L326-M341 HydrophobicContact CB-SD 4.26Å; L326-M341 HydrophobicContact CD2-CB 4.17Å; L326-M341 HydrophobicContact CD2-SD 3.59Å; L326-M341 VanDerWaalsContact CD2-SD 3.59Å; Y327-M341 WeakPolarHBondContact O-CE 3.43Å; F335-M341 HydrophobicContact CB-CB 4.18Å; F335-M341 HydrophobicContact CD2-CB 4.05Å; F335-M341 HydrophobicContact CD2-CG 4.05Å; F335-M341 HydrophobicContact CG-CB 4.19Å; S337-M341 PolarHBondContact O-N 2.95Å; S337-M341 VanDerWaalsContact O-N 3.13Å; D338-M341 PolarHBondContact O-N 2.98Å; M341-N343 PolarHBondContact O-N 2.96Å; M341-H344 CarbonylContact O-C 3.55Å; M341-H344 WeakPolarHBondContact O-CA 3.32Å; M341-H344 WeakPolarHBondContact O-CB 3.33Å; M341-H344 PolarHBondContact O-N 3.48Å; M341-E345 WeakPolarHBondContact O-CG 3.33Å; M341-E345 PolarHBondContact O-N 3.5Å
342K85.8Confident86.1Confident99 Ų9995.7 Ų95.743%0.4346%0.463SS..Hα-helixtrans-66.8-7.8177.3-68.1161.3-179.6165.10114.1D338 E345 K346D338-K342 HydrophobicContact CB-CD 4.31Å; D338-K342 VanDerWaalsContact O-CB 3.26Å; D338-K342 WeakPolarHBondContact O-CB 3.37Å; D338-K342 WeakPolarHBondContact O-CG 3.45Å; D338-K342 PolarHBondContact O-N 2.75Å; D338-K342 IonicContact OD2-NZ 2.65Å; D338-K342 PolarHBondContact OD2-NZ 2.77Å; K342-E345 WeakPolarHBondContact CA-OE2 3.31Å; K342-K346 WeakPolarHBondContact O-CD 3.36Å; K342-K346 WeakPolarHBondContact O-CE 3.44Å; K342-K346 WeakPolarHBondContact O-CG 3.43Å; K342-K346 PolarHBondContact O-NZ 2.66Å
343N86.3Confident86.3Confident102 Ų10294.5 Ų94.555%0.54545%0.454SS..Hα-helixtrans-99.9-31.6167.5-82.4-31.3000112.2K339 A340 M341 K346 S347K339-N343 WeakPolarHBondContact O-CB 3.39Å; K339-N343 PolarHBondContact O-ND2 3.28Å; A340-N343 PolarHBondContact O-N 3.14Å; M341-N343 PolarHBondContact O-N 2.96Å; N343-K346 PolarHBondContact O-N 3.47Å; N343-S347 PolarHBondContact O-N 2.66Å; N343-S347 VanDerWaalsContact O-N 3.12Å
344H88.8Confident86.7Confident26 Ų2691.1 Ų91.112%0.1244%0.442CS..Hα-helixtrans-63.3-46.9170.4172.272000111.6C328 C331 F335 A340 M341 K346 S347 H350C328-H344 PolarHBondContact SG-NE2 3.21Å; C331-H344 VanDerWaalsContact CB-NE2 3.32Å; C331-H344 WeakPolarHBondContact CB-NE2 3.22Å; C331-H344 VanDerWaalsContact SG-CE1 3.57Å; F335-H344 HydrophobicContact CE1-CB 3.77Å; F335-H344 AromaticContact CE1-CG 3.98Å; F335-H344 HydrophobicContact CE2-CB 3.96Å; F335-H344 AromaticContact CE2-CD2 3.56Å; F335-H344 AromaticContact CE2-CG 3.69Å; F335-H344 HydrophobicContact CZ-CB 3.45Å; F335-H344 VanDerWaalsContact CZ-CB 3.45Å; F335-H344 AromaticContact CZ-CD2 3.53Å; F335-H344 AromaticContact CZ-CG 3.19Å; F335-H344 AromaticContact CZ-ND1 3.54Å; A340-H344 PolarHBondContact O-N 2.93Å; M341-H344 CarbonylContact O-C 3.55Å; M341-H344 WeakPolarHBondContact O-CA 3.32Å; M341-H344 WeakPolarHBondContact O-CB 3.33Å; M341-H344 PolarHBondContact O-N 3.48Å; H344-K346 PolarHBondContact O-N 2.86Å; H344-S347 WeakPolarHBondContact O-CA 3.47Å; H344-S347 WeakPolarHBondContact O-CB 3.45Å; H344-S347 PolarHBondContact O-N 2.7Å; H344-H350 AromaticContact CD2-ND1 3.32Å; H344-H350 PolarHBondContact CD2-ND1 2.94Å; H344-H350 VanDerWaalsContact CD2-ND1 3.32Å; H344-H350 AromaticContact CE1-ND1 4Å; H344-H350 AromaticContact NE2-CG 3.81Å; H344-H350 AromaticContact NE2-ND1 3.07Å; H344-H350 PolarHBondContact NE2-ND1 3.43Å; H344-H350 WeakPolarHBondContact O-CB 3.26Å
345E89.3Confident87.1Confident70 Ų7091.3 Ų91.333%0.32744%0.439SS..THydrogen-bonded Turntrans-52.5-43.2173.6-69.6160.7-169.600112.2M341 K342 S347 H350 R351M341-E345 WeakPolarHBondContact O-CG 3.33Å; M341-E345 PolarHBondContact O-N 3.5Å; K342-E345 WeakPolarHBondContact CA-OE2 3.31Å; E345-S347 PolarHBondContact O-N 2.89Å; E345-H350 VanDerWaalsContact CA-CD2 3.49Å; E345-H350 WeakPolarHBondContact CA-CD2 3.46Å; E345-H350 PolarHBondContact O-CD2 3.2Å; E345-H350 VanDerWaalsContact O-CD2 3.28Å; E345-R351 WeakPolarHBondContact O-CG 3.28Å
346K86.3Confident87.2Confident133 Ų13394 Ų9458%0.57846%0.455SS*.THydrogen-bonded Turntrans-75.2-12.2178.4-65.5172-166154.90112.5K342 N343 H344 R351K342-K346 WeakPolarHBondContact O-CD 3.36Å; K342-K346 WeakPolarHBondContact O-CE 3.44Å; K342-K346 WeakPolarHBondContact O-CG 3.43Å; K342-K346 PolarHBondContact O-NZ 2.66Å; N343-K346 PolarHBondContact O-N 3.47Å; H344-K346 PolarHBondContact O-N 2.86Å; K346-R351 PolarHBondContact O-NE 2.85Å; K346-R351 PolarHBondContact O-NH2 3.28Å
347S90.8Very high87.4Confident47 Ų4786.8 Ų86.833%0.32943%0.427SS..SBendtrans-61.7140.8173.5-170.80000110.7N343 H344 E345 K349 H350 R351N343-S347 PolarHBondContact O-N 2.66Å; N343-S347 VanDerWaalsContact O-N 3.12Å; H344-S347 WeakPolarHBondContact O-CA 3.47Å; H344-S347 WeakPolarHBondContact O-CB 3.45Å; H344-S347 PolarHBondContact O-N 2.7Å; E345-S347 PolarHBondContact O-N 2.89Å; S347-K349 PolarHBondContact O-N 3.01Å; S347-H350 PolarHBondContact O-N 2.89Å; S347-R351 PolarHBondContact O-N 2.84Å
348K87.9Confident87.5Confident139 Ų13992.7 Ų92.760%0.60444%0.441SS*.Hα-helixtrans-61.2-35.9175.6-179.1173.3167.7-179.60111.7R351 E352K348-R351 PolarHBondContact O-N 3.32Å; K348-E352 WeakPolarHBondContact CE-OE1 3.31Å; K348-E352 WeakPolarHBondContact CE-OE2 3.19Å; K348-E352 HydrophobicContact CG-CG 4.35Å; K348-E352 IonicContact NZ-OE1 3.12Å; K348-E352 PolarHBondContact NZ-OE1 3.15Å; K348-E352 VanDerWaalsContact NZ-OE1 3.12Å; K348-E352 WeakPolarHBondContact O-CB 3.23Å; K348-E352 WeakPolarHBondContact O-CG 3.21Å; K348-E352 PolarHBondContact O-N 3.12Å
349K87.8Confident87.9Confident166 Ų16693.2 Ų93.272%0.72244%0.441SS*.Hα-helixtrans-66.2-39.6-179.9-69.2-172.4175.5-174.70113S347 M353S347-K349 PolarHBondContact O-N 3.01Å; K349-M353 PolarHBondContact O-N 3Å
350H91.1Very high87.8Confident24 Ų2490.5 Ų90.511%0.11143%0.43CS..Hα-helixtrans-62.9-50175171.1100.8000110.1C328 H344 E345 S347 E352 M353 V354C328-H350 PolarHBondContact SG-CE1 3.46Å; C328-H350 PolarHBondContact SG-ND1 3.15Å; C328-H350 VanDerWaalsContact SG-ND1 3.36Å; H344-H350 AromaticContact CD2-ND1 3.32Å; H344-H350 PolarHBondContact CD2-ND1 2.94Å; H344-H350 VanDerWaalsContact CD2-ND1 3.32Å; H344-H350 AromaticContact CE1-ND1 4Å; H344-H350 AromaticContact NE2-CG 3.81Å; H344-H350 AromaticContact NE2-ND1 3.07Å; H344-H350 PolarHBondContact NE2-ND1 3.43Å; H344-H350 WeakPolarHBondContact O-CB 3.26Å; E345-H350 VanDerWaalsContact CA-CD2 3.49Å; E345-H350 WeakPolarHBondContact CA-CD2 3.46Å; E345-H350 PolarHBondContact O-CD2 3.2Å; E345-H350 VanDerWaalsContact O-CD2 3.28Å; S347-H350 PolarHBondContact O-N 2.89Å; H350-E352 VanDerWaalsContact C-N 3.33Å; H350-E352 PolarHBondContact O-N 3Å; H350-M353 CarbonylContact O-C 3.57Å; H350-M353 PolarHBondContact O-N 2.98Å; H350-V354 WeakPolarHBondContact NE2-CG2 3.43Å; H350-V354 WeakPolarHBondContact O-CG2 3.3Å; H350-V354 PolarHBondContact O-N 3.02Å
351R89.4Confident87.9Confident148 Ų14892.6 Ų92.656%0.55844%0.436SS*.Hα-helixtrans-63.3-35.8179.4-69.6-175.5-80.9168.9-7.3113.4E345 K346 S347 K348 M353 V355E345-R351 WeakPolarHBondContact O-CG 3.28Å; K346-R351 PolarHBondContact O-NE 2.85Å; K346-R351 PolarHBondContact O-NH2 3.28Å; S347-R351 PolarHBondContact O-N 2.84Å; K348-R351 PolarHBondContact O-N 3.32Å; R351-M353 VanDerWaalsContact C-N 3.34Å; R351-V355 VanDerWaalsContact O-CG2 3.31Å; R351-V355 WeakPolarHBondContact O-CG2 3.4Å; R351-V355 PolarHBondContact O-N 3.46Å
352E89.1Confident87.7Confident101 Ų10196.6 Ų96.647%0.47245%0.454SS..Hα-helixtrans-65.3-35.1171.3-75.7175.814800112.1K348 H350 L356K348-E352 WeakPolarHBondContact CE-OE1 3.31Å; K348-E352 WeakPolarHBondContact CE-OE2 3.19Å; K348-E352 HydrophobicContact CG-CG 4.35Å; K348-E352 IonicContact NZ-OE1 3.12Å; K348-E352 PolarHBondContact NZ-OE1 3.15Å; K348-E352 VanDerWaalsContact NZ-OE1 3.12Å; K348-E352 WeakPolarHBondContact O-CB 3.23Å; K348-E352 WeakPolarHBondContact O-CG 3.21Å; K348-E352 PolarHBondContact O-N 3.12Å; H350-E352 VanDerWaalsContact C-N 3.33Å; H350-E352 PolarHBondContact O-N 3Å; E352-L356 WeakPolarHBondContact O-CG 3.46Å; E352-L356 PolarHBondContact O-N 3.23Å
353M86.4Confident87.4Confident94 Ų9497.4 Ų97.446%0.46346%0.459SS..Hα-helixtrans-79.1-37.3178.2-155.368.878.300113.5A330 K349 H350 R351 V355 L356 L357A330-M353 WeakPolarHBondContact O-CB 3.26Å; A330-M353 WeakPolarHBondContact O-CG 3.25Å; K349-M353 PolarHBondContact O-N 3Å; H350-M353 CarbonylContact O-C 3.57Å; H350-M353 PolarHBondContact O-N 2.98Å; R351-M353 VanDerWaalsContact C-N 3.34Å; M353-V355 VanDerWaalsContact C-N 3.28Å; M353-V355 PolarHBondContact O-N 3.07Å; M353-L356 PolarHBondContact O-N 3.09Å; M353-L356 HydrophobicContact SD-CD1 4.06Å; M353-L357 PolarHBondContact O-N 3.43Å
354V91.6Very high87.1Confident34 Ų3497.2 Ų97.221%0.20646%0.455CS..Hα-helixtrans-60.7-37.7172.5170.40000111.4A330 H350 R358A330-V354 HydrophobicContact CB-CB 4.44Å; A330-V354 HydrophobicContact CB-CG2 3.46Å; A330-V354 VanDerWaalsContact CB-CG2 3.46Å; H350-V354 WeakPolarHBondContact NE2-CG2 3.43Å; H350-V354 WeakPolarHBondContact O-CG2 3.3Å; H350-V354 PolarHBondContact O-N 3.02Å; V354-R358 HydrophobicContact CG1-CG 4.49Å; V354-R358 WeakPolarHBondContact O-CB 3.25Å; V354-R358 VanDerWaalsContact O-CG 3.3Å; V354-R358 WeakPolarHBondContact O-CG 3.46Å; V354-R358 PolarHBondContact O-N 2.93Å
355V91.4Very high86.4Confident93 Ų93101 Ų10156%0.56448%0.476SS*.Hα-helixtrans-66.7-40.8175.1168.90000111.4R351 M353 Q359R351-V355 VanDerWaalsContact O-CG2 3.31Å; R351-V355 WeakPolarHBondContact O-CG2 3.4Å; R351-V355 PolarHBondContact O-N 3.46Å; M353-V355 VanDerWaalsContact C-N 3.28Å; M353-V355 PolarHBondContact O-N 3.07Å; V355-Q359 WeakPolarHBondContact O-CB 3.44Å; V355-Q359 PolarHBondContact O-N 3.09Å
356L88.1Confident85.4Confident100 Ų100102.3 Ų102.352%0.52449%0.485SS..Hα-helixtrans-65-43.9175.2-71.5169000112.1E352 M353 Q359 Q360E352-L356 WeakPolarHBondContact O-CG 3.46Å; E352-L356 PolarHBondContact O-N 3.23Å; M353-L356 PolarHBondContact O-N 3.09Å; M353-L356 HydrophobicContact SD-CD1 4.06Å; L356-Q359 PolarHBondContact O-N 2.78Å; L356-Q360 PolarHBondContact O-N 3.28Å
357L85.3Confident84.6Confident68 Ų6899.5 Ų99.536%0.35648%0.483SS..Hα-helixtrans-64.4-41177.9-177.961.7000111.8A330 M353 Q360 L361A330-L357 HydrophobicContact CB-CD2 3.93Å; M353-L357 PolarHBondContact O-N 3.43Å; L357-Q360 PolarHBondContact O-N 3.01Å; L357-L361 HydrophobicContact CG-CD1 4.32Å; L357-L361 WeakPolarHBondContact O-CG 3.41Å; L357-L361 PolarHBondContact O-N 3.49Å
358R87.3Confident82.6Confident178 Ų178105.3 Ų105.367%0.67250%0.502SS*.Hα-helixtrans-63-45173.9-76.5176.8178.7-133.4-3.1112.2V354 Q360 L361 E362V354-R358 HydrophobicContact CG1-CG 4.49Å; V354-R358 WeakPolarHBondContact O-CB 3.25Å; V354-R358 VanDerWaalsContact O-CG 3.3Å; V354-R358 WeakPolarHBondContact O-CG 3.46Å; V354-R358 PolarHBondContact O-N 2.93Å; R358-Q360 VanDerWaalsContact C-N 3.29Å; R358-Q360 PolarHBondContact O-N 2.88Å; R358-L361 PolarHBondContact O-N 3.41Å; R358-E362 VanDerWaalsContact O-CB 3.28Å; R358-E362 WeakPolarHBondContact O-CB 3.04Å; R358-E362 PolarHBondContact O-N 2.62Å
359Q89.2Confident80.8Confident94 Ų94103 Ų10344%0.43950%0.502SS..Hα-helixtrans-62.7-38.1176.5-172.6-173.4-26.700111.4V355 L356 E362 E363V355-Q359 WeakPolarHBondContact O-CB 3.44Å; V355-Q359 PolarHBondContact O-N 3.09Å; L356-Q359 PolarHBondContact O-N 2.78Å; Q359-E362 PolarHBondContact O-N 3.13Å; Q359-E363 PolarHBondContact NE2-OE1 2.58Å; Q359-E363 WeakPolarHBondContact O-CB 3.41Å; Q359-E363 WeakPolarHBondContact O-CG 3.34Å; Q359-E363 PolarHBondContact O-N 3.31Å
360Q84.6Confident78.7Confident106 Ų106102.2 Ų102.250%0.49551%0.505SS..Hα-helixtrans-65.9-45176.4-174.5-178.3-28.800111.8L356 L357 R358 E362 E363 E364L356-Q360 PolarHBondContact O-N 3.28Å; L357-Q360 PolarHBondContact O-N 3.01Å; R358-Q360 VanDerWaalsContact C-N 3.29Å; R358-Q360 PolarHBondContact O-N 2.88Å; Q360-E362 VanDerWaalsContact C-N 3.32Å; Q360-E362 PolarHBondContact O-N 2.7Å; Q360-E363 PolarHBondContact O-N 2.93Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.41Å; Q360-E364 PolarHBondContact NE2-OE1 2.89Å; Q360-E364 WeakPolarHBondContact O-CB 3.04Å; Q360-E364 WeakPolarHBondContact O-CG 3.34Å; Q360-E364 PolarHBondContact O-N 3.09Å
361L85.4Confident76.6Confident86 Ų86107.6 Ų107.645%0.4554%0.535SS..Hα-helixtrans-62-40.8175-69.2168.8000111.5L357 R358 E363 E364 D365L357-L361 HydrophobicContact CG-CD1 4.32Å; L357-L361 WeakPolarHBondContact O-CG 3.41Å; L357-L361 PolarHBondContact O-N 3.49Å; R358-L361 PolarHBondContact O-N 3.41Å; L361-E363 PolarHBondContact O-N 3.33Å; L361-E364 CarbonylContact O-C 3.57Å; L361-E364 PolarHBondContact O-N 3.15Å; L361-D365 WeakPolarHBondContact O-CB 3.38Å; L361-D365 PolarHBondContact O-N 3.18Å
362E80.4Confident74.4Confident121 Ų121103.5 Ų103.557%0.56554%0.539SS*.Hα-helixtrans-66.1-35.2175.7-171.2171-144.400112.1R358 Q359 Q360 N366R358-E362 VanDerWaalsContact O-CB 3.28Å; R358-E362 WeakPolarHBondContact O-CB 3.04Å; R358-E362 PolarHBondContact O-N 2.62Å; Q359-E362 PolarHBondContact O-N 3.13Å; Q360-E362 VanDerWaalsContact C-N 3.32Å; Q360-E362 PolarHBondContact O-N 2.7Å; E362-N366 WeakPolarHBondContact O-CB 3.44Å; E362-N366 PolarHBondContact O-N 3.23Å; E362-N366 PolarHBondContact O-ND2 3.29Å
363E79Confident71.8Confident116 Ų116107.7 Ų107.754%0.54256%0.558SS.*Hα-helixtrans-70-33.1170.9-76.2175.2-160.100112.3Q359 Q360 L361 S367Q359-E363 PolarHBondContact NE2-OE1 2.58Å; Q359-E363 WeakPolarHBondContact O-CB 3.41Å; Q359-E363 WeakPolarHBondContact O-CG 3.34Å; Q359-E363 PolarHBondContact O-N 3.31Å; Q360-E363 PolarHBondContact O-N 2.93Å; L361-E363 PolarHBondContact O-N 3.33Å; E363-S367 VanDerWaalsContact O-CB 3.29Å; E363-S367 WeakPolarHBondContact O-CB 3.4Å; E363-S367 PolarHBondContact O-N 3.34Å
364E79.6Confident69.6Low97 Ų97112.4 Ų112.445%0.45358%0.579SS.*Hα-helixtrans-73.4-43.3175.2-74.4170.6-165.400111.9Q360 L361 S367 F368Q360-E364 WeakPolarHBondContact CG-OE1 3.41Å; Q360-E364 PolarHBondContact NE2-OE1 2.89Å; Q360-E364 WeakPolarHBondContact O-CB 3.04Å; Q360-E364 WeakPolarHBondContact O-CG 3.34Å; Q360-E364 PolarHBondContact O-N 3.09Å; L361-E364 CarbonylContact O-C 3.57Å; L361-E364 PolarHBondContact O-N 3.15Å; E364-S367 CarbonylContact O-C 3.58Å; E364-S367 WeakPolarHBondContact O-CA 3.41Å; E364-S367 WeakPolarHBondContact O-CB 3.27Å; E364-S367 PolarHBondContact O-N 2.87Å; E364-S367 VanDerWaalsContact O-N 3.16Å; E364-F368 PolarHBondContact O-N 2.64Å
365D73.6Confident66.8Low106 Ų106119.2 Ų119.257%0.56762%0.615SS**Hα-helixtrans-63.6-45.1174.5-74.5-28.4000111.5L361 S367 F368 C369L361-D365 WeakPolarHBondContact O-CB 3.38Å; L361-D365 PolarHBondContact O-N 3.18Å; D365-S367 VanDerWaalsContact C-N 3.27Å; D365-S367 PolarHBondContact O-N 2.76Å; D365-F368 WeakPolarHBondContact O-CA 3.34Å; D365-F368 WeakPolarHBondContact O-CB 3.09Å; D365-F368 PolarHBondContact O-N 3.41Å; D365-C369 PolarHBondContact O-N 2.77Å; D365-C369 PolarHBondContact O-SG 3.39Å
366N69.5Low63.9Low98 Ų98118.1 Ų118.152%0.52462%0.622SS.*Hα-helixtrans-62.3-35.7172.4-82.9-75.1000111.6E362 F368 L370E362-N366 WeakPolarHBondContact O-CB 3.44Å; E362-N366 PolarHBondContact O-N 3.23Å; E362-N366 PolarHBondContact O-ND2 3.29Å; N366-F368 PolarHBondContact O-N 3.42Å; N366-L370 WeakPolarHBondContact O-CG 3.48Å; N366-L370 PolarHBondContact O-N 3.36Å
367S68.6Low61.2Low74 Ų74123 Ų12352%0.51764%0.642SS.*Hα-helixtrans-71.3-14.6171.7-172.10000113.2E363 E364 D365 N371E363-S367 VanDerWaalsContact O-CB 3.29Å; E363-S367 WeakPolarHBondContact O-CB 3.4Å; E363-S367 PolarHBondContact O-N 3.34Å; E364-S367 CarbonylContact O-C 3.58Å; E364-S367 WeakPolarHBondContact O-CA 3.41Å; E364-S367 WeakPolarHBondContact O-CB 3.27Å; E364-S367 PolarHBondContact O-N 2.87Å; E364-S367 VanDerWaalsContact O-N 3.16Å; D365-S367 VanDerWaalsContact C-N 3.27Å; D365-S367 PolarHBondContact O-N 2.76Å; S367-N371 PolarHBondContact O-ND2 3.08Å
368F50.1Low58.7Low169 Ų169129.1 Ų129.174%0.74167%0.666SS**Hα-helixtrans-87.2-47.3175.2-156.7-102.6000110.8E364 D365 N366 L370 N371E364-F368 PolarHBondContact O-N 2.64Å; D365-F368 WeakPolarHBondContact O-CA 3.34Å; D365-F368 WeakPolarHBondContact O-CB 3.09Å; D365-F368 PolarHBondContact O-N 3.41Å; N366-F368 PolarHBondContact O-N 3.42Å; F368-L370 VanDerWaalsContact C-N 3.3Å; F368-L370 PolarHBondContact O-N 3.27Å; F368-N371 PolarHBondContact O-N 2.81Å; F368-N371 VanDerWaalsContact O-N 3.09Å
369C50.1Low56Low89 Ų89130.1 Ų130.160%0.60168%0.678SS**Hα-helixtrans-57.4-39.1177.1-64.20000113D365 N371 G372D365-C369 PolarHBondContact O-N 2.77Å; D365-C369 PolarHBondContact O-SG 3.39Å; C369-N371 PolarHBondContact O-N 3.21Å; C369-G372 PolarHBondContact O-N 2.96Å; C369-G372 VanDerWaalsContact O-N 3.13Å
370L43.5Very low53.1Low151 Ų151133 Ų13379%0.79170%0.697SS**THydrogen-bonded Turntrans-70.86.7178.2-68.2175.3000115.1N366 F368N366-L370 WeakPolarHBondContact O-CG 3.48Å; N366-L370 PolarHBondContact O-N 3.36Å; F368-L370 VanDerWaalsContact C-N 3.3Å; F368-L370 PolarHBondContact O-N 3.27Å
371N46.3Very low50.2Low136 Ų136135 Ų13573%0.72771%0.711SS**THydrogen-bonded Turntrans-115.211.6171.4-69.4-82000113S367 F368 C369S367-N371 PolarHBondContact O-ND2 3.08Å; F368-N371 PolarHBondContact O-N 2.81Å; F368-N371 VanDerWaalsContact O-N 3.09Å; C369-N371 PolarHBondContact O-N 3.21Å
372G42.5Very low47.7Very low63 Ų63138 Ų13865%0.64973%0.726SS**SBendtrans-106.3-11.2-173.800000117.4C369C369-G372 PolarHBondContact O-N 2.96Å; C369-G372 VanDerWaalsContact O-N 3.13Å
373E35.8Very low45.2Very low188 Ų188140.9 Ų140.988%0.87974%0.74SS**  trans-124.573.7-166.5-65.2-173.816000113.9
374E39.8Very low42.7Very low193 Ų193142.4 Ų142.490%0.90275%0.752SS**  trans-133.576.7153.5-81.8-161.4147.700110
375D32.4Very low40.3Very low178 Ų178146.2 Ų146.295%0.95277%0.77SS**  trans-178.9137.8150-100.3-27.9000110
376G31.3Very low38Very low69 Ų69149.9 Ų149.971%0.71178%0.783SS**  trans124.569.3164.100000119.7
377E31Very low36Very low203 Ų203155 Ų15595%0.94980%0.804SS**  trans66.3174.1145.2-52.6-162.615400120.5
378K33Very low34Very low197 Ų197160.5 Ų160.586%0.85782%0.822SS**  trans-138.3131.4-177.2-60.6169.6-176.8167.60109.1
379E29.9Very low33.1Very low198 Ų198162 Ų16293%0.92583%0.831SS**  trans-131.1158.1149.1-71.8-152117.100110.2
380N27.8Very low32Very low155 Ų155166.2 Ų166.283%0.82984%0.842SS**  trans-99.3141.1164.8-63.4-108.2000106.5
381D25.4Very low31.4Very low149 Ų149168.4 Ų168.480%0.79785%0.848SS**  trans-143.3161.4132.9-149.5-7.2000110.6
382L33Very low30.3Very low148 Ų148170 Ų17078%0.77585%0.851SS**  trans-131.7107.3-177.7-80.3167.1000109
383Q27.6Very low29.7Very low182 Ų182172.2 Ų172.285%0.8585%0.854SS**  trans-148.6119.6155.5-118.2127.6109.100113.2
384D26.8Very low29.4Very low148 Ų148174.7 Ų174.779%0.79186%0.855SS**  trans-42.3169.2171.9-83.8-58.9000119.8
385E27.6Very low29.1Very low177 Ų177174.2 Ų174.283%0.82785%0.853SS**  trans64.3119.2159.2-70.4171.6-157.400115.8
386E26.5Very low29.1Very low183 Ų183175.3 Ų175.386%0.85585%0.849SS**  cis-155.3138.344.1-66.6176.4141.600111.5
387E27.1Very low29.6Very low204 Ų204178.1 Ų178.195%0.95385%0.847SS**  trans-106.6113.6166.2-80-167.5148.700110.5
388E27.5Very low30.7Very low191 Ų191171 Ų17189%0.89382%0.82SS**  trans-81.1141.9168-69.9-166.2119.900111.8E390E388-E390 PolarHBondContact O-N 3.27Å
389E30Very low31.4Very low201 Ų201171 Ų17194%0.93982%0.82SS**  trans-78.4105.1177.9-68.4-170.8121.900112.9
390E27.4Very low32.1Very low176 Ų176170.2 Ų170.282%0.82281%0.814SS**  trans-100.1111.5158.7-86.6-132.5132.600112.4E388 Q392E388-E390 PolarHBondContact O-N 3.27Å; E390-Q392 PolarHBondContact O-N 3.28Å
391E29.8Very low32.9Very low198 Ų198167.7 Ų167.793%0.92580%0.797SS**  trans-70105.7173-83.1-154.7109.600112.7
392Q25.1Very low34Very low168 Ų168168.2 Ų168.279%0.78579%0.792SS**  trans-84.5136.4165-69.4-154.814.200113.6E390 R394E390-Q392 PolarHBondContact O-N 3.28Å; Q392-R394 PolarHBondContact O-N 2.91Å
393P29Very low34.7Very low110 Ų110170 Ų17071%0.71479%0.789SS**  trans-80.3119.6-162.229.5-36.4000115.2Q395P393-Q395 PolarHBondContact O-N 3.32Å
394R29.5Very low35.5Very low241 Ų241168.4 Ų168.491%0.90978%0.779SS**  trans-65.190.4177.7-65.4-179.5-179.7-116.92.8114Q392 K396Q392-R394 PolarHBondContact O-N 2.91Å; R394-K396 PolarHBondContact O-N 2.91Å
395Q32.9Very low36.2Very low182 Ų182169.6 Ų169.685%0.8578%0.777SS**  trans-67.8119.9173.3-65.7-160.318.400112.9P393 L397P393-Q395 PolarHBondContact O-N 3.32Å; Q395-L397 PolarHBondContact O-N 3.42Å
396K33.2Very low36.9Very low202 Ų202169 Ų16988%0.87877%0.772SS**  trans-83.2103.4-175.8-69.3170.4-177.5165.90111.9R394R394-K396 PolarHBondContact O-N 2.91Å
397L42.3Very low37.6Very low127 Ų127166.6 Ų166.667%0.66576%0.76SS**  trans-52136.7175.9-69.9174.8000113.3Q395Q395-L397 PolarHBondContact O-N 3.42Å
398S54Low38.3Very low55 Ų55162.7 Ų162.739%0.38574%0.742SS.*  trans-71.7155.2-171.775.80000113.9K400 Q401 K402S398-K400 PolarHBondContact O-N 2.74Å; S398-Q401 PolarHBondContact O-N 2.77Å; S398-Q401 VanDerWaalsContact O-N 3.1Å; S398-Q401 PolarHBondContact OG-OE1 3.32Å; S398-K402 PolarHBondContact O-N 3.09Å
399K46.8Very low38.8Very low197 Ų197161.1 Ų161.186%0.85773%0.732SS**Hα-helixtrans-56.5-20.9174.3-67.2-179.7179.2176.50113.5
400K44Very low39Very low181 Ų181155.7 Ų155.779%0.78771%0.713SS**Hα-helixtrans-77.8-37.6178.4-158.2171.3-175.2177.70112.2S398 R403 K404S398-K400 PolarHBondContact O-N 2.74Å; K400-R403 PolarHBondContact O-N 3.45Å; K400-K404 PolarHBondContact O-N 2.94Å
401Q45.9Very low39.3Very low102 Ų102151.7 Ų151.748%0.47770%0.7SS.*Hα-helixtrans-67.4-40.7177.5-74.5150.7-59.600112S398 R403 K404 K405S398-Q401 PolarHBondContact O-N 2.77Å; S398-Q401 VanDerWaalsContact O-N 3.1Å; S398-Q401 PolarHBondContact OG-OE1 3.32Å; Q401-R403 VanDerWaalsContact C-N 3.25Å; Q401-R403 PolarHBondContact O-N 2.78Å; Q401-K404 PolarHBondContact O-N 2.85Å; Q401-K405 PolarHBondContact O-N 2.88Å
402K48.4Very low39.7Very low159 Ų159149.7 Ų149.769%0.69169%0.69SS**Hα-helixtrans-61.3-28.1176.6-71.7-168.3175.6-173.50113.8S398 K406S398-K402 PolarHBondContact O-N 3.09Å; K402-K406 PolarHBondContact O-N 2.84Å
403R47.8Very low40.2Very low187 Ų187148.6 Ų148.671%0.70669%0.686SS**Hα-helixtrans-73.3-42.7173.6-72.9-179.371.3170.61.7112.5K400 Q401 K406 Q407K400-R403 PolarHBondContact O-N 3.45Å; Q401-R403 VanDerWaalsContact C-N 3.25Å; Q401-R403 PolarHBondContact O-N 2.78Å; R403-K406 PolarHBondContact O-N 3.33Å; R403-Q407 PolarHBondContact O-N 3.25Å; R403-Q407 VanDerWaalsContact O-N 3.14Å
404K43.2Very low40.4Very low147 Ų147147.6 Ų147.664%0.63968%0.678SS**Hα-helixtrans-63.4-44.7179.9-162.4179.9-179.3-171.10111.8K400 Q401 K406 Q407 Q408K400-K404 PolarHBondContact O-N 2.94Å; Q401-K404 PolarHBondContact O-N 2.85Å; K404-K406 VanDerWaalsContact C-N 3.27Å; K404-K406 PolarHBondContact O-N 2.78Å; K404-Q407 PolarHBondContact O-N 3.18Å; K404-Q407 VanDerWaalsContact O-N 3.08Å; K404-Q408 PolarHBondContact O-N 3.03Å
405K42.3Very low40.5Very low174 Ų174141.4 Ų141.476%0.75767%0.666SS**Hα-helixtrans-65-26.3177-161.3165.3-174.3170.90113.1Q401Q401-K405 PolarHBondContact O-N 2.88Å
406K41.3Very low40.3Very low165 Ų165136.7 Ų136.772%0.71766%0.659SS**Hα-helixtrans-77.6-27.5172-170.2167.5-178.2175.60113.3K402 R403 K404K402-K406 PolarHBondContact O-N 2.84Å; R403-K406 PolarHBondContact O-N 3.33Å; K404-K406 VanDerWaalsContact C-N 3.27Å; K404-K406 PolarHBondContact O-N 2.78Å
407Q42.9Very low40.2Very low131 Ų131135.2 Ų135.261%0.61266%0.655SS**Hα-helixtrans-79.7-39.7176.2-72177.6-58.500112.5R403 K404 K409 V410R403-Q407 PolarHBondContact O-N 3.25Å; R403-Q407 VanDerWaalsContact O-N 3.14Å; K404-Q407 PolarHBondContact O-N 3.18Å; K404-Q407 VanDerWaalsContact O-N 3.08Å; Q407-K409 VanDerWaalsContact C-N 3.29Å; Q407-K409 PolarHBondContact O-N 3.19Å; Q407-V410 PolarHBondContact O-N 3.5Å; Q407-V410 VanDerWaalsContact O-N 3.15Å
408Q41.5Very low39.7Very low123 Ų123135.4 Ų135.458%0.57566%0.661SS**Hα-helixtrans-60.1-36.5175.4-92.7173.3-66.900113.1K404 V410 V411K404-Q408 PolarHBondContact O-N 3.03Å; Q408-V410 PolarHBondContact O-N 3.17Å; Q408-V411 PolarHBondContact O-N 3.32Å
409K36.5Very low38.5Very low158 Ų158142.2 Ų142.269%0.68768%0.684SS**Hα-helixtrans-70.1-13.9178.7-152.6-179.4-179.2-174.70114.2Q407Q407-K409 VanDerWaalsContact C-N 3.29Å; Q407-K409 PolarHBondContact O-N 3.19Å
410V35.9Very low37.5Very low87 Ų87142.1 Ų142.153%0.52769%0.686SS.*Hα-helixtrans-84.9-40.6175175.80000111.1Q407 Q408 Q412 Q413Q407-V410 PolarHBondContact O-N 3.5Å; Q407-V410 VanDerWaalsContact O-N 3.15Å; Q408-V410 PolarHBondContact O-N 3.17Å; V410-Q412 VanDerWaalsContact C-N 3.32Å; V410-Q412 PolarHBondContact O-N 2.83Å; V410-Q413 PolarHBondContact O-N 3.01Å; V410-Q413 VanDerWaalsContact O-N 3.08Å
411V34Very low36.9Very low92 Ų92142.7 Ų142.756%0.55869%0.692SS**Hα-helixtrans-66.6-32.2-176.2179.70000112.5Q408 Q413 T414Q408-V411 PolarHBondContact O-N 3.32Å; V411-Q413 PolarHBondContact O-N 2.6Å; V411-T414 PolarHBondContact O-OG1 3.49Å
412Q36.8Very low35.9Very low155 Ų155146.9 Ų146.972%0.72471%0.711SS**THydrogen-bonded Turntrans-72.8-12.7175.1-72.9-179.5-43.100114V410V410-Q412 VanDerWaalsContact C-N 3.32Å; V410-Q412 PolarHBondContact O-N 2.83Å
413Q37Very low34.8Very low146 Ų146148.7 Ų148.768%0.68272%0.722SS**THydrogen-bonded Turntrans-89.7-29.6179-126174.4-30.500112V410 V411V410-Q413 PolarHBondContact O-N 3.01Å; V410-Q413 VanDerWaalsContact O-N 3.08Å; V411-Q413 PolarHBondContact O-N 2.6Å
414T31.2Very low33.7Very low89 Ų89145.3 Ų145.355%0.54672%0.722SS.*THydrogen-bonded Turntrans-88.23.4-176.854.30000114.8V411V411-T414 PolarHBondContact O-OG1 3.49Å
415T31.8Very low32.9Very low110 Ų110145.7 Ų145.768%0.67573%0.73SS**THydrogen-bonded Turntrans-110.814.1-177.656.50000113.6
416A30.1Very low32.4Very low83 Ų83143.2 Ų143.269%0.68673%0.731SS**SBendtrans-110-20.3178.900000113.7
417E30.9Very low31.7Very low172 Ų172140.8 Ų140.880%0.80474%0.736SS**SBendtrans-95.79.5-170.4-63.6175.6138.200114.2
418V30.8Very low30.9Very low130 Ų130143.4 Ų143.479%0.78875%0.748SS**SBendtrans-13171.8-178.4-170.40000110.1
419K29.3Very low29.9Very low198 Ų198142.8 Ų142.886%0.86175%0.753SS**SBendtrans-161.717.7170.3-125.4176.8-175.5-171.80118.5
420E26.8Very low29.2Very low195 Ų195141.8 Ų141.891%0.91176%0.76SS**SBendtrans-13030.5-180-64.5-168.9156.200113.9
421E30.4Very low28.5Very low194 Ų194142.5 Ų142.591%0.90777%0.768SS**  trans-136.478.5172.9-70.4-170.3163.500112.2
422E24.1Very low28.2Very low190 Ų190146.3 Ų146.389%0.88878%0.779SS**  trans-166.990.8152.7-132.6-179-175.700112.9
423E25.6Very low27.6Very low196 Ų196147.2 Ų147.292%0.91678%0.783SS**  trans-151.7144.5144.2-81.3-149.7153.500108.5
424T24.9Very low27Very low116 Ų116147.7 Ų147.771%0.71279%0.786SS**  trans-157.2155.1-166.645.70000113.8
425I26.3Very low26.7Very low156 Ų156149.2 Ų149.280%0.880%0.795SS**  trans75.5148.5161.7-64.9150000114.2
426P32.8Very low26.8Very low121 Ų121149.1 Ų149.179%0.78680%0.796SS**  cis-126.7176.910.822.32.7000117.9
427S25.6Very low26.6Very low115 Ų115154.3 Ų154.380%0.80481%0.806SS**  trans-90.2158.5-179.5-12.10000115.9
428Q26.7Very low26.3Very low186 Ų186151.2 Ų151.287%0.86980%0.803SS**  trans-153.4161.9155.4-68.5-167.617.600107.7
429T21Very low25.9Very low110 Ų110149.5 Ų149.568%0.67580%0.797SS**  172129-52.729.10000106
430T21.1Very low25.7Very low136 Ų136149.2 Ų149.283%0.83480%0.799SS**  trans64.7156.316559.10000117.2
431C22Very low25.7Very low103 Ų103147.1 Ų147.170%0.69679%0.794SS**  cis-134.7-173.314.3-54.20000114.3
432E26.1Very low26Very low172 Ų172144 Ų14480%0.80479%0.79SS**  trans-43176.3164.1-60.4118.7148.900116.1
433E25.1Very low25.9Very low173 Ų173138.4 Ų138.481%0.80878%0.784SS**  cis-159.6148.730.3-147171.5-16400107.8
434E24.9Very low26Very low157 Ų157138.2 Ų138.273%0.73478%0.783SS**  172163.882.8-109.9-74.456.400109.5
435V25.3Very low26.6Very low121 Ų121137.7 Ų137.773%0.73378%0.782SS**  trans-144.2138177.4-178.50000112.2
436P32.8Very low26.7Very low107 Ų107137.2 Ų137.270%0.69578%0.776SS**  -148.3134.4129.734.2-17.4000116.4
437E26Very low26.5Very low192 Ų192137.8 Ų137.890%0.89777%0.766SS**  trans50.1161.7141-47.2-170.2121.100119.9
438S23.7Very low26.6Very low108 Ų108139 Ų13976%0.75576%0.759SS**  cis-156.6174.65.675.80000107.9
439S23.7Very low26.6Very low93 Ų93137.7 Ų137.765%0.6575%0.753SS**  cis-171.8166.1-2950.80000110
440E24.5Very low26.8Very low192 Ų192138.9 Ų138.990%0.89776%0.755SS**  trans74.4136.9161.8-55.9-165138.700121.7
441N26.1Very low26.9Very low152 Ų152139.4 Ų139.481%0.81375%0.752SS**  trans-142.2130.7167.3179.932.9000104.1
442P36.8Very low27.7Very low127 Ų127140 Ų14083%0.82575%0.754SS**  -154.7166.890.239.5-20.5000116.4
443G23.8Very low27.6Very low73 Ų73137.2 Ų137.275%0.75375%0.754SS**  trans165.596.1160.600000118.8
444Q26.9Very low27.7Very low193 Ų193134.1 Ų134.190%0.90276%0.758SS**  trans-112.3171.5153.2-95.8-167.6-19.900107.6
445P38.3Very low27.6Very low105 Ų105134.4 Ų134.468%0.68276%0.759SS**  cis-148.6-163.928.334.6-8.2000117.3
446E28.5Very low27.6Very low145 Ų145134 Ų13468%0.67876%0.757SS**  trans88.9138.1157.4-48-128.7122.700117.8
447K28.2Very low27.2Very low134 Ų134137.2 Ų137.258%0.58376%0.76SS**  cis-169.7154.6-4.5-120.7176.8172.9138.10113.7
448Q27.5Very low27.1Very low139 Ų139134 Ų13465%0.6576%0.759SS**  trans58.8140.4140.7-80.4-177.7-75.800121.2
449E25.7Very low27.2Very low160 Ų160134 Ų13475%0.74876%0.758SS**  cis-137-164.8-7-55.1-149.6107.500108.3
450D24.9Very low27.3Very low135 Ų135134.1 Ų134.172%0.72276%0.76SS**  cis-156.9171.68.4-175.529.8000110.4
451L24.2Very low27.3Very low147 Ų147131.9 Ų131.977%0.7775%0.749SS**  trans-143.3154.8172.2-73.2173.5000111.2
452P38.6Very low27.3Very low115 Ų115132.5 Ų132.575%0.74775%0.745SS**  -150.4130.9101.434-15.4000117.6
453S24.9Very low26.9Very low113 Ų113132.8 Ų132.879%0.7974%0.744SS**  36129.4127.7-51.60000122.9
454A25.8Very low26.9Very low109 Ų109139.3 Ų139.390%0.90175%0.752SS**  -170.6133.811700000114.7
455E23.8Very low26.9Very low162 Ų162133.9 Ų133.976%0.75775%0.748SS**  trans-66.6138.3-172.5-83.6-160.290.700120K457E455-K457 IonicContact OE1-NZ 3.85Å
456V25.7Very low26.5Very low112 Ų112138.2 Ų138.268%0.67976%0.756SS**  29.5154.3129.3-129.20000124.4
457K24.5Very low26.4Very low175 Ų175141.2 Ų141.276%0.76177%0.767SS**  trans93.4124.4149.3-67.8145.9-174.5155.20119.6E455E455-K457 IonicContact OE1-NZ 3.85Å
458S23.8Very low26.3Very low125 Ų125138.5 Ų138.587%0.87478%0.777SS**  -153.7156121.5580000110.6
459S25.7Very low26.2Very low107 Ų107136 Ų13675%0.74879%0.789SS**  trans-150.7161.3-179.663.80000112
460S24.7Very low26.4Very low97 Ų97132 Ų13268%0.67879%0.791SS**  trans60.6106.4151.849.70000121.2
461E25.9Very low26.6Very low145 Ų145135.5 Ų135.568%0.67880%0.799SS**  91.6124.3127.7-62-156.1102.100125.1
462K25.4Very low27.1Very low165 Ų165135.6 Ų135.672%0.71780%0.8SS**  trans54.1124.5137.1-59.9168.5173.5152.60119.2
463T27.3Very low26.7Very low133 Ų133140.2 Ų140.282%0.81681%0.809SS**  -174.9137.772.530.40000116.4
464K24.6Very low27.1Very low209 Ų209139.2 Ų139.291%0.90981%0.807SS**  63.892.4127.2-156.2179.5-170.1176.20123.9
465G26.6Very low27.6Very low79 Ų79143 Ų14381%0.81480%0.803SS**  trans97.4169138.600000119
466K29.8Very low27.6Very low196 Ų196142.3 Ų142.385%0.85281%0.805SS**  cis-167.3149.5-12.5-168.8177.4-178.4175.90111
467K27.3Very low27.9Very low208 Ų208142 Ų14290%0.90480%0.804SS**  trans71.6148.3179-64.7-179.2174-179.90116
468G25.1Very low28.1Very low78 Ų78142.4 Ų142.480%0.80481%0.805SS**  cis164.7158.2-1200000115.7
469G26Very low28.4Very low87 Ų87140.9 Ų140.990%0.89780%0.795SS**  trans95.9137.5172.900000114.9
470G28.8Very low28.5Very low76 Ų76143.7 Ų143.778%0.78480%0.796SS**  cis136.5117.7-1200000114.4
471K29.8Very low28.7Very low207 Ų207145.7 Ų145.790%0.980%0.804SS**  trans-166.3155.6157.8-115.3167.4-174.7174.40112
472D33.9Very low28.9Very low149 Ų149146.4 Ų146.480%0.79781%0.808SS**  trans-113159.7-151.3-43.1-103.6000115.4
473K30.8Very low29.2Very low212 Ų212147.7 Ų147.792%0.92282%0.816SS**  -163150.4117.1-107.1169.2-176.2-179.30112.7
474A34.5Very low29.3Very low92 Ų92150.4 Ų150.476%0.7682%0.817SS**  trans-101.9-173.2177.100000110
475K34.6Very low30Very low188 Ų188146.1 Ų146.182%0.81781%0.81SS**  cis-170.214717.2-159.1176.1-174.6178.10109
476N25.8Very low30.6Very low149 Ų149151.3 Ų151.380%0.79781%0.813SS**  -162.4164.4128.2-144.3-2.2000114.2
477T30.7Very low31.4Very low105 Ų105151 Ų15164%0.64481%0.812SS**  trans-86.4177.7-173.561.80000113.4
478K30Very low32.6Very low183 Ų183149.3 Ų149.380%0.79681%0.807SS**  cis-166.3158.227.9-152177.8179.9-177.80113.6
479S29.6Very low34.2Very low94 Ų94151.7 Ų151.766%0.65780%0.8SS**  trans33.8116.4154540000119.8
480H27.9Very low36.3Very low165 Ų165151.1 Ų151.176%0.76478%0.777SS**  cis81.6106.248.1-159.6-68.4000114.7
481T27.7Very low38.7Very low140 Ų140150.5 Ų150.586%0.85976%0.755SS**  trans-143.1149.8161.5-58.60000107
482E31.6Very low41.2Very low160 Ų160147.8 Ų147.875%0.74874%0.739SS**PPolyproline II helixtrans-86.3152.3-158.4-58.1177.7143.900114
483Q31Very low43.4Very low192 Ų192140.8 Ų140.890%0.89770%0.702SS**PPolyproline II helixtrans-101.3125.6175.1-71.3-179-52.200110.9
484F28.6Very low45.7Very low190 Ų190137 Ų13783%0.83370%0.696SS**PPolyproline II helixtrans-82.2149.9155.5-83.6-95.7000109.6E486F484-E486 PolarHBondContact O-N 2.97Å
485P39.4Very low47.9Very low118 Ų118137 Ų13777%0.76669%0.687SS**  trans-77.3103-179.630.5-33.6000111K487P485-K487 PolarHBondContact O-N 3.23Å
486E39.4Very low50.2Low189 Ų189130.2 Ų130.288%0.88366%0.662SS**  trans-66.5125.2165.1-66.3-168.9155.900109.2F484 E488F484-E486 PolarHBondContact O-N 2.97Å; E486-E488 PolarHBondContact O-N 3.15Å
487K47.1Very low52.7Low188 Ų188127.9 Ų127.982%0.81765%0.65SS**  trans-70.8125.3174.1-69.8177.4176.6177.30108.7P485 I489P485-K487 PolarHBondContact O-N 3.23Å; K487-I489 PolarHBondContact O-N 3.47Å; K487-I489 VanDerWaalsContact O-N 3.09Å
488E51.9Low55.1Low173 Ų173126.8 Ų126.881%0.80864%0.64SS**  trans-62112.9170-65-174.3137.800109.3E486 N490E486-E488 PolarHBondContact O-N 3.15Å; E488-N490 PolarHBondContact O-N 2.69Å
489I58.5Low57.7Low129 Ų129123.7 Ų123.766%0.66263%0.629SS**  trans-89.794.2177-56.7178.6000107.4K487 L491K487-I489 PolarHBondContact O-N 3.47Å; K487-I489 VanDerWaalsContact O-N 3.09Å; I489-L491 HydrophobicContact CG2-CD2 4.25Å; I489-L491 PolarHBondContact O-N 3.16Å
490N71.1Confident60.4Low75 Ų75120.9 Ų120.940%0.40161%0.605SS.*  trans-63117.9171.4-74.9-4.1000109.9E488 E499E488-N490 PolarHBondContact O-N 2.69Å; N490-E499 HydrophobicContact CB-CB 4.26Å; N490-E499 HydrophobicContact CB-CG 4.36Å; N490-E499 WeakPolarHBondContact CB-OE2 3.47Å; N490-E499 PolarHBondContact ND2-OE2 2.86Å
491L77.9Confident62.8Low63 Ų63116.4 Ų116.433%0.3359%0.59SS.*EExtended strand (participates in β ladder)trans-98.1108.8-179.2-68.6167.9000108.5I489 F500 R503 L506I489-L491 HydrophobicContact CG2-CD2 4.25Å; I489-L491 PolarHBondContact O-N 3.16Å; L491-F500 PolarHBondContact N-O 3.15Å; L491-F500 PolarHBondContact O-N 3.17Å; L491-R503 HydrophobicContact CD1-CB 3.84Å; L491-L506 HydrophobicContact CB-CD2 3.93Å
492R82.3Confident65.4Low150 Ų150113.1 Ų113.157%0.56657%0.57SS**EExtended strand (participates in β ladder)trans-88.5145.8179.969.4-179.1176-86-5113.8N497 D498 E499R492-N497 WeakPolarHBondContact CD-OD1 3.24Å; R492-D498 CarbonylContact C-O 3.47Å; R492-D498 WeakPolarHBondContact CA-O 3.32Å; R492-E499 HydrophobicContact CB-CG 4.07Å
493C80.8Confident67.7Low2 Ų2113.2 Ų113.21%0.01456%0.564CS.*  trans-72.8130.6167.9-177.90000110T495 C496 N497 D498 F500 L506C493-T495 VanDerWaalsContact C-N 3.32Å; C493-T495 PolarHBondContact O-N 2.94Å; C493-C496 VanDerWaalsContact CB-SG 3.55Å; C493-N497 WeakPolarHBondContact O-CA 3.38Å; C493-N497 PolarHBondContact O-N 3.45Å; C493-D498 PolarHBondContact N-O 2.93Å; C493-F500 HydrophobicContact CB-CE2 4.12Å; C493-L506 HydrophobicContact CB-CD1 3.66Å
494V79.6Confident70.1Confident131 Ų131109.7 Ų109.779%0.79455%0.551SS**THydrogen-bonded Turntrans-69.2-31.2-175.9-178.90000112.2
495T79.8Confident72.7Confident92 Ų92106.4 Ų106.456%0.56454%0.536SS*.THydrogen-bonded Turntrans-77.5-32.5-173.4-42.20000113.4C493 H515C493-T495 VanDerWaalsContact C-N 3.32Å; C493-T495 PolarHBondContact O-N 2.94Å; T495-H515 HydrophobicContact CG2-CB 4.43Å
496C82.4Confident74.8Confident46 Ų46101.8 Ų101.831%0.31151%0.505SS..THydrogen-bonded Turntrans-125.9-4.5-177.555.70000114.9C493 D498 H509C493-C496 VanDerWaalsContact CB-SG 3.55Å; C496-D498 PolarHBondContact O-N 3.22Å; C496-D498 VanDerWaalsContact O-N 3.15Å; C496-D498 PolarHBondContact SG-OD2 2.97Å; C496-H509 PolarHBondContact SG-NE2 2.83Å
497N79.7Confident77Confident101 Ų10197 Ų9754%0.5448%0.482SS..  trans60.36.3-175.4-74.5-53.4000117.3R492 C493 E499R492-N497 WeakPolarHBondContact CD-OD1 3.24Å; C493-N497 WeakPolarHBondContact O-CA 3.38Å; C493-N497 PolarHBondContact O-N 3.45Å; N497-E499 PolarHBondContact O-N 3.41Å
498D80.4Confident78.8Confident81 Ų8192.5 Ų92.543%0.43347%0.466SS..  trans-54.4128.3172.1-68.7-46000111.8R492 C493 C496 F500 H509R492-D498 CarbonylContact C-O 3.47Å; R492-D498 WeakPolarHBondContact CA-O 3.32Å; C493-D498 PolarHBondContact N-O 2.93Å; C496-D498 PolarHBondContact O-N 3.22Å; C496-D498 VanDerWaalsContact O-N 3.15Å; C496-D498 PolarHBondContact SG-OD2 2.97Å; D498-F500 HydrophobicContact CB-CE2 3.59Å; D498-F500 HydrophobicContact CB-CZ 3.7Å; D498-F500 WeakPolarHBondContact O-CD2 3.4Å; D498-F500 VanDerWaalsContact O-CE2 3.23Å; D498-F500 WeakPolarHBondContact O-CE2 3.46Å; D498-H509 IonicContact OD2-CE1 3.6Å
499E85.3Confident80.3Confident119 Ų11985.8 Ų85.856%0.55644%0.435SS*.EExtended strand (participates in β ladder)trans-90.3129.2179.3-73.4-165.7179.300112.7N490 R492 N497N490-E499 HydrophobicContact CB-CB 4.26Å; N490-E499 HydrophobicContact CB-CG 4.36Å; N490-E499 WeakPolarHBondContact CB-OE2 3.47Å; N490-E499 PolarHBondContact ND2-OE2 2.86Å; R492-E499 HydrophobicContact CB-CG 4.07Å; N497-E499 PolarHBondContact O-N 3.41Å
500F85Confident81.5Confident34 Ų3481.2 Ų81.215%0.14941%0.411CS..EExtended strand (participates in β ladder)trans-118.2131.7178.4-59.2-85.2000111.6L491 C493 D498 T502 K505 L506 H509L491-F500 PolarHBondContact N-O 3.15Å; L491-F500 PolarHBondContact O-N 3.17Å; C493-F500 HydrophobicContact CB-CE2 4.12Å; D498-F500 HydrophobicContact CB-CE2 3.59Å; D498-F500 HydrophobicContact CB-CZ 3.7Å; D498-F500 WeakPolarHBondContact O-CD2 3.4Å; D498-F500 VanDerWaalsContact O-CE2 3.23Å; D498-F500 WeakPolarHBondContact O-CE2 3.46Å; F500-T502 PolarHBondContact O-N 2.9Å; F500-K505 HydrophobicContact CB-CB 4.23Å; F500-K505 HydrophobicContact CD1-CB 3.93Å; F500-K505 HydrophobicContact CG-CB 4.44Å; F500-L506 HydrophobicContact CB-CB 4.03Å; F500-L506 HydrophobicContact CD2-CB 3.92Å; F500-L506 HydrophobicContact CD2-CD1 3.66Å; F500-L506 HydrophobicContact CD2-CG 4.35Å; F500-L506 HydrophobicContact CE2-CD1 3.89Å; F500-L506 HydrophobicContact CG-CB 4.07Å; F500-H509 HydrophobicContact CE1-CB 3.83Å; F500-H509 HydrophobicContact CE2-CB 4.1Å; F500-H509 AromaticContact CE2-CD2 3.99Å; F500-H509 AromaticContact CE2-CG 3.88Å; F500-H509 HydrophobicContact CZ-CB 3.51Å; F500-H509 AromaticContact CZ-CD2 3.92Å; F500-H509 AromaticContact CZ-CG 3.36Å; F500-H509 AromaticContact CZ-ND1 3.55Å
501P79.3Confident82.1Confident72 Ų7285.4 Ų85.447%0.46843%0.426SS..SBendtrans-76.6-8-177.731.5-37000113.5K505P501-K505 HydrophobicContact CG-CD 4.4Å
502T81.3Confident82.3Confident70 Ų7088.2 Ų88.243%0.42945%0.446SS..SBendtrans-142.8147.4175.164.90000111.5F500 N504 K505 L506F500-T502 PolarHBondContact O-N 2.9Å; T502-N504 VanDerWaalsContact C-N 3.27Å; T502-N504 PolarHBondContact O-N 3.22Å; T502-K505 PolarHBondContact O-N 3.26Å; T502-L506 PolarHBondContact O-N 3.33Å
503R80.4Confident82.1Confident162 Ų16283.1 Ų83.161%0.61143%0.433SS*.Hα-helixtrans-54.4-41.5177.9-178.4173.1174.8130.22.7112.3L491 K505 L506 F507L491-R503 HydrophobicContact CD1-CB 3.84Å; R503-K505 PolarHBondContact O-N 2.69Å; R503-L506 PolarHBondContact O-N 3.14Å; R503-F507 HydrophobicContact CG-CD2 3.7Å; R503-F507 HydrophobicContact CG-CE2 3.78Å; R503-F507 WeakPolarHBondContact O-CD2 2.83Å; R503-F507 PolarHBondContact O-N 3.3Å
504N82.1Confident81.9Confident118 Ų11884.9 Ų84.963%0.63145%0.452SS*.Hα-helixtrans-61.1-45.1-179.4-71.921000111.9T502 L506 F507 D508T502-N504 VanDerWaalsContact C-N 3.27Å; T502-N504 PolarHBondContact O-N 3.22Å; N504-L506 VanDerWaalsContact C-N 3.29Å; N504-L506 PolarHBondContact O-N 3.11Å; N504-F507 CarbonylContact O-C 3.59Å; N504-F507 WeakPolarHBondContact O-CA 3.31Å; N504-F507 PolarHBondContact O-N 2.9Å; N504-D508 VanDerWaalsContact O-CG 3.26Å; N504-D508 PolarHBondContact O-N 3.46Å
505K83.9Confident81.7Confident121 Ų12181.5 Ų81.553%0.52643%0.428SS..Hα-helixtrans-61.1-36.8177.9-73.7-174.4173.4-172.30112.8F500 P501 T502 R503 H509F500-K505 HydrophobicContact CB-CB 4.23Å; F500-K505 HydrophobicContact CD1-CB 3.93Å; F500-K505 HydrophobicContact CG-CB 4.44Å; P501-K505 HydrophobicContact CG-CD 4.4Å; T502-K505 PolarHBondContact O-N 3.26Å; R503-K505 PolarHBondContact O-N 2.69Å; K505-H509 WeakPolarHBondContact O-CB 3.47Å; K505-H509 PolarHBondContact O-N 3.05Å
506L83.3Confident81.2Confident21 Ų2180.7 Ų80.711%0.1143%0.43CS..Hα-helixtrans-65.2-40.8171.8174.859.9000111.8L491 C493 F500 T502 R503 N504 H509 L510L491-L506 HydrophobicContact CB-CD2 3.93Å; C493-L506 HydrophobicContact CB-CD1 3.66Å; F500-L506 HydrophobicContact CB-CB 4.03Å; F500-L506 HydrophobicContact CD2-CB 3.92Å; F500-L506 HydrophobicContact CD2-CD1 3.66Å; F500-L506 HydrophobicContact CD2-CG 4.35Å; F500-L506 HydrophobicContact CE2-CD1 3.89Å; F500-L506 HydrophobicContact CG-CB 4.07Å; T502-L506 PolarHBondContact O-N 3.33Å; R503-L506 PolarHBondContact O-N 3.14Å; N504-L506 VanDerWaalsContact C-N 3.29Å; N504-L506 PolarHBondContact O-N 3.11Å; L506-H509 PolarHBondContact O-N 2.75Å; L506-L510 HydrophobicContact CD1-CD1 4Å; L506-L510 HydrophobicContact CD1-CG 3.95Å; L506-L510 HydrophobicContact CG-CD1 3.91Å; L506-L510 HydrophobicContact CG-CG 4.33Å; L506-L510 WeakPolarHBondContact O-CB 3.25Å; L506-L510 WeakPolarHBondContact O-CG 3.42Å; L506-L510 PolarHBondContact O-N 3.22Å
507F84.4Confident79.8Confident90 Ų9085.5 Ų85.540%0.39545%0.451SS..Hα-helixtrans-69.2-34.9176.8-90.6-86.6000113.5R503 N504 K511R503-F507 HydrophobicContact CG-CD2 3.7Å; R503-F507 HydrophobicContact CG-CE2 3.78Å; R503-F507 WeakPolarHBondContact O-CD2 2.83Å; R503-F507 PolarHBondContact O-N 3.3Å; N504-F507 CarbonylContact O-C 3.59Å; N504-F507 WeakPolarHBondContact O-CA 3.31Å; N504-F507 PolarHBondContact O-N 2.9Å; F507-K511 WeakPolarHBondContact O-CG 3.16Å; F507-K511 PolarHBondContact O-N 3.33Å; F507-K511 VanDerWaalsContact O-N 3.16Å
508D85.1Confident78Confident93 Ų9384.5 Ų84.550%0.49746%0.456SS..Hα-helixtrans-67.8-45.1173.9-61.7-34.1000109.9N504 K511 T512N504-D508 VanDerWaalsContact O-CG 3.26Å; N504-D508 PolarHBondContact O-N 3.46Å; D508-K511 PolarHBondContact O-N 3.19Å; D508-T512 WeakPolarHBondContact O-CG2 3.39Å; D508-T512 PolarHBondContact O-N 3.46Å; D508-T512 PolarHBondContact O-OG1 3.05Å; D508-T512 VanDerWaalsContact O-OG1 3.13Å
509H84.1Confident76Confident32 Ų3288.2 Ų88.215%0.14848%0.475CS..Hα-helixtrans-54.9-56.5170.7170.587.4000111.6C496 D498 F500 K505 L506 K511 T512 S513 H515C496-H509 PolarHBondContact SG-NE2 2.83Å; D498-H509 IonicContact OD2-CE1 3.6Å; F500-H509 HydrophobicContact CE1-CB 3.83Å; F500-H509 HydrophobicContact CE2-CB 4.1Å; F500-H509 AromaticContact CE2-CD2 3.99Å; F500-H509 AromaticContact CE2-CG 3.88Å; F500-H509 HydrophobicContact CZ-CB 3.51Å; F500-H509 AromaticContact CZ-CD2 3.92Å; F500-H509 AromaticContact CZ-CG 3.36Å; F500-H509 AromaticContact CZ-ND1 3.55Å; K505-H509 WeakPolarHBondContact O-CB 3.47Å; K505-H509 PolarHBondContact O-N 3.05Å; L506-H509 PolarHBondContact O-N 2.75Å; H509-K511 PolarHBondContact O-N 2.81Å; H509-K511 VanDerWaalsContact O-N 3.07Å; H509-T512 WeakPolarHBondContact CA-OG1 3.5Å; H509-T512 PolarHBondContact O-N 2.95Å; H509-T512 PolarHBondContact O-OG1 3.21Å; H509-S513 PolarHBondContact NE2-OG 2.9Å; H509-S513 PolarHBondContact O-N 3.15Å; H509-S513 PolarHBondContact O-OG 2.9Å; H509-H515 AromaticContact CE1-ND1 3.95Å; H509-H515 AromaticContact NE2-CE1 3.92Å; H509-H515 AromaticContact NE2-ND1 3.22Å; H509-H515 PolarHBondContact NE2-ND1 2.92Å
510L84.2Confident73.6Confident32 Ų3287.4 Ų87.417%0.16848%0.483CS..Hα-helixtrans-56-28.1-178.2-75.6169.9000113.6L506 H515 A516L506-L510 HydrophobicContact CD1-CD1 4Å; L506-L510 HydrophobicContact CD1-CG 3.95Å; L506-L510 HydrophobicContact CG-CD1 3.91Å; L506-L510 HydrophobicContact CG-CG 4.33Å; L506-L510 WeakPolarHBondContact O-CB 3.25Å; L506-L510 WeakPolarHBondContact O-CG 3.42Å; L506-L510 PolarHBondContact O-N 3.22Å; L510-H515 HydrophobicContact CD2-CB 3.81Å; L510-H515 PolarHBondContact O-N 3.36Å; L510-A516 HydrophobicContact CB-CB 4.39Å
511K83.1Confident71.2Confident163 Ų16392.3 Ų92.371%0.70952%0.515SS*.Hα-helixtrans-78-47.5171.9-74.1174.6176.7-177.20112.5F507 D508 H509F507-K511 WeakPolarHBondContact O-CG 3.16Å; F507-K511 PolarHBondContact O-N 3.33Å; F507-K511 VanDerWaalsContact O-N 3.16Å; D508-K511 PolarHBondContact O-N 3.19Å; H509-K511 PolarHBondContact O-N 2.81Å; H509-K511 VanDerWaalsContact O-N 3.07Å
512T82.1Confident68.9Low123 Ų12396.2 Ų96.276%0.75553%0.532SS*.Hα-helixtrans-70.8-30.5-177.755.30000114.1D508 H509D508-T512 WeakPolarHBondContact O-CG2 3.39Å; D508-T512 PolarHBondContact O-N 3.46Å; D508-T512 PolarHBondContact O-OG1 3.05Å; D508-T512 VanDerWaalsContact O-OG1 3.13Å; H509-T512 WeakPolarHBondContact CA-OG1 3.5Å; H509-T512 PolarHBondContact O-N 2.95Å; H509-T512 PolarHBondContact O-OG1 3.21Å
513S78.2Confident66.5Low42 Ų4297 Ų9729%0.29455%0.546SS..THydrogen-bonded Turntrans-93.7-418061.10000114.1H509 H515H509-S513 PolarHBondContact NE2-OG 2.9Å; H509-S513 PolarHBondContact O-N 3.15Å; H509-S513 PolarHBondContact O-OG 2.9Å; S513-H515 PolarHBondContact O-CD2 3.29Å; S513-H515 VanDerWaalsContact O-CD2 3.27Å; S513-H515 PolarHBondContact O-N 2.84Å; S513-H515 WeakPolarHBondContact OG-CB 3.27Å; S513-H515 PolarHBondContact OG-ND1 2.99Å
514G75.3Confident64.2Low39 Ų3994.7 Ų94.740%0.40255%0.55SS..  trans66.23.1-174.400000114.7A516 I517G514-A516 PolarHBondContact O-N 2.99Å; G514-I517 WeakPolarHBondContact O-CG1 3.46Å; G514-I517 PolarHBondContact O-N 3.26Å
515H76.1Confident61.7Low61 Ų6197.7 Ų97.728%0.28256%0.56SS.*THydrogen-bonded Turntrans-65.33.4-177.3-68.2171.1000114.6T495 H509 L510 S513T495-H515 HydrophobicContact CG2-CB 4.43Å; H509-H515 AromaticContact CE1-ND1 3.95Å; H509-H515 AromaticContact NE2-CE1 3.92Å; H509-H515 AromaticContact NE2-ND1 3.22Å; H509-H515 PolarHBondContact NE2-ND1 2.92Å; L510-H515 HydrophobicContact CD2-CB 3.81Å; L510-H515 PolarHBondContact O-N 3.36Å; S513-H515 PolarHBondContact O-CD2 3.29Å; S513-H515 VanDerWaalsContact O-CD2 3.27Å; S513-H515 PolarHBondContact O-N 2.84Å; S513-H515 WeakPolarHBondContact OG-CB 3.27Å; S513-H515 PolarHBondContact OG-ND1 2.99Å
516A69.5Low59Low74 Ų7497 Ų9761%0.61257%0.57SS**THydrogen-bonded Turntrans-84.42.8176.500000115.1L510 G514 A518L510-A516 HydrophobicContact CB-CB 4.39Å; G514-A516 PolarHBondContact O-N 2.99Å; A516-A518 PolarHBondContact O-N 2.92Å
517I53.5Low56.5Low148 Ų148100.8 Ų100.876%0.75960%0.598SS**  trans-65.8129.4179.4-65.9165.7000110.5G514G514-I517 WeakPolarHBondContact O-CG1 3.46Å; G514-I517 PolarHBondContact O-N 3.26Å
518A40.5Very low53.9Low79 Ų79103.6 Ų103.665%0.65362%0.623SS**  trans-71.1140.2179.700000111.9A516 S520A516-A518 PolarHBondContact O-N 2.92Å; A518-S520 PolarHBondContact O-N 2.95Å
519I40Very low51.3Low159 Ų159104.3 Ų104.382%0.81564%0.635SS**  trans-73.491.7169.3-57.5175.5000107.9T521I519-T521 PolarHBondContact O-N 3.36Å; I519-T521 VanDerWaalsContact O-N 3.13Å
520S34.8Very low49Very low103 Ų103113 Ų11372%0.7267%0.673SS**  trans-60.9113170.1-720000109.8A518 N522A518-S520 PolarHBondContact O-N 2.95Å; S520-N522 PolarHBondContact O-N 3.11Å
521T34.2Very low46.5Very low136 Ų136117 Ų11783%0.83470%0.703SS**  trans-7671.4-179.654.10000111.5I519 A523I519-T521 PolarHBondContact O-N 3.36Å; I519-T521 VanDerWaalsContact O-N 3.13Å; T521-A523 PolarHBondContact O-N 3.14Å
522N30.1Very low44.2Very low155 Ų155121 Ų12183%0.82971%0.714SS**  trans-68.4124.4163.3-90.5-8.2000109.2S520S520-N522 PolarHBondContact O-N 3.11Å
523A32Very low41.9Very low87 Ų87123 Ų12372%0.71971%0.712SS**  trans-57.3146.3162.700000108.8T521T521-A523 PolarHBondContact O-N 3.14Å
524T31.6Very low39.9Very low112 Ų112128 Ų12869%0.68773%0.731SS**  -166.5144.389.820.20000113.3
525H30.1Very low38.1Very low182 Ų182135.1 Ų135.184%0.84375%0.751SS**  trans51.2117.6155.4-50.3-50.3000120.8
526S27.5Very low36.2Very low107 Ų107143.3 Ų143.375%0.74878%0.779SS**  -154.9142.7114.6-163.80000114
527S30.8Very low35.1Very low99 Ų99147.6 Ų147.669%0.69278%0.784SS**  trans28108.4154.253.70000121.4
528T29.3Very low34.5Very low149 Ų149147.4 Ų147.491%0.91478%0.784SS**  trans-124.296.1142.354.80000110.5
529S29.9Very low34.6Very low109 Ų109158.5 Ų158.576%0.76281%0.81SS**  trans-99.5111.7175.448.50000111.4
530K35.8Very low34.3Very low215 Ų215158.5 Ų158.594%0.93581%0.809SS**  trans-160125.5160.4-109.7155.6-170.9171.70109.3
531S31.7Very low34.3Very low115 Ų115161.4 Ų161.480%0.80481%0.814SS**  trans-101.2147.6-17556.90000112.3
532R34.8Very low34.3Very low247 Ų247162.8 Ų162.893%0.93281%0.813SS**  trans-164.4150.1145.3-108.8163.7-174.6-161-0.3111.1
533K33.5Very low34.5Very low166 Ų166163.3 Ų163.372%0.72281%0.812SS**  trans-17156.8163.7-84158.3142.7-104.20117.9
534E36Very low34.7Very low147 Ų147168.1 Ų168.169%0.68782%0.818SS**  cis-146.1-170.632.9-155.374-113.800112.9
535K39.4Very low34.9Very low187 Ų187171.8 Ų171.881%0.81383%0.826SS**  trans-103.9167.5-170.1-70.5179.2171.7-1800114.5
536R36.2Very low35.3Very low233 Ų233171.1 Ų171.188%0.87983%0.825SS**  trans102.8146.8161.4-65175.1160.5168.6-5.4113.9
537K44.7Very low35.9Very low165 Ų165176 Ų17672%0.71783%0.831SS**  cis-157.8143.86.4-138.4-172.3176.4-174.60111.3
538N41Very low36.3Very low143 Ų143182.4 Ų182.477%0.76584%0.843SS**  trans58.8156.4158.3-65.914.1000118
539R43Very low36.9Very low313 Ų313185.5 Ų185.5100%1.18184%0.836SS**  cis-131.10-3.1177.6177.5178.7176.6-1.8109.4

Retrieved 539 of 539 residues in 491.3 ms (Link to these results)

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