A0A2K6NQM0_RHIRO Loading...

JRK like

AlphaFold DB , UniProt , Accession A0A2K6NQM0, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene JRKL, Length 524 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
1M39.3Very low66.6Low246 Ų246129.9 Ų129.9100%1.21265%0.645SS**  0108.20-69.7-156.7-109.500108.7G3M1-G3 PolarHBondContact O-N 2.92Å; M1-G3 VanDerWaalsContact O-N 3.15Å
2S47Very low67.8Low123 Ų123119.1 Ų119.186%0.8659%0.591SS**  trans-69.8109.5175.1179.40000108.2K4S2-K4 PolarHBondContact O-N 2.62Å
3G52.2Low68.9Low62 Ų62118.4 Ų118.464%0.63958%0.582SS**  trans-52.1137.8175.400000110.6M1 R5M1-G3 PolarHBondContact O-N 2.92Å; M1-G3 VanDerWaalsContact O-N 3.15Å; G3-R5 PolarHBondContact O-N 3.43Å
4K55Low70Confident213 Ų213113.5 Ų113.593%0.92656%0.56SS**  trans-54.6115.3175.4-81.1179.4177.1174.60108.3S2 K6S2-K4 PolarHBondContact O-N 2.62Å; K4-K6 PolarHBondContact O-N 3.24Å
5R63.6Low71.2Confident194 Ų194108.3 Ų108.373%0.73253%0.533SS*.  trans-55.5134.2174.4-84-177.2-179.21661109.2G3 R7G3-R5 PolarHBondContact O-N 3.43Å; R5-R7 PolarHBondContact O-N 3.3Å
6K69.6Low72Confident192 Ų192104.6 Ų104.684%0.83552%0.515SS*.  trans-58.1130.4173.6-165.9173.6-177.91780108.4K4 V8K4-K6 PolarHBondContact O-N 3.24Å; K6-V8 PolarHBondContact O-N 3.39Å
7R75.3Confident72.9Confident228 Ų228101.8 Ų101.886%0.8650%0.503SS*.  trans-68.3103.9-179.5-175.8176.7-179.5161.30.8109.4R5 V9R5-R7 PolarHBondContact O-N 3.3Å; R7-V9 HydrophobicContact CG-CG2 4.36Å
8V80.8Confident73.8Confident71 Ų7196.2 Ų96.243%0.4348%0.475SS..  trans-87.6131.6172-179.70000108.8K6 L10 G36 I37K6-V8 PolarHBondContact O-N 3.39Å; V8-L10 HydrophobicContact CG1-CD2 4.28Å; V8-G36 WeakPolarHBondContact CG2-O 3.15Å; V8-I37 HydrophobicContact CB-CG2 4.22Å; V8-I37 HydrophobicContact CG1-CG2 4.16Å
9V81.3Confident74.5Confident72 Ų7291.5 Ų91.544%0.43645%0.452SS..  trans-116.5106.7177-172.40000108.3R7 K69R7-V9 HydrophobicContact CG-CG2 4.36Å; V9-K69 HydrophobicContact CB-CD 4Å; V9-K69 HydrophobicContact CG1-CB 3.73Å; V9-K69 HydrophobicContact CG1-CD 3.71Å; V9-K69 HydrophobicContact CG1-CG 4.04Å; V9-K69 WeakPolarHBondContact O-CE 3.39Å
10L83.6Confident75.2Confident14 Ų1493.5 Ų93.57%0.07346%0.458CS..  trans-71.6144.4-177.7-63.4174.7000112.5V8 D14 K15 I18 Y35 I37 I45 K69V8-L10 HydrophobicContact CG1-CD2 4.28Å; L10-D14 HydrophobicContact CB-CB 4.21Å; L10-D14 HydrophobicContact CD2-CB 4.03Å; L10-K15 HydrophobicContact CB-CG 4.21Å; L10-K15 HydrophobicContact CD1-CG 4.45Å; L10-I18 HydrophobicContact CD1-CD1 3.68Å; L10-Y35 HydrophobicContact CD2-CD1 4.31Å; L10-I37 HydrophobicContact CD1-CD1 3.62Å; L10-I37 HydrophobicContact CD1-CG2 3.96Å; L10-I37 HydrophobicContact CD2-CG2 3.94Å; L10-I37 HydrophobicContact CG-CG2 3.94Å; L10-I45 HydrophobicContact CD1-CD1 3.66Å; L10-K69 WeakPolarHBondContact O-CA 3.22Å
11T84.4Confident75.8Confident14 Ų1492.5 Ų92.59%0.08645%0.451CS..  trans-78.2166.117170.20000110.6K13 D14 K15 L65 A66 R68 K69T11-K13 VanDerWaalsContact C-N 3.26Å; T11-K13 PolarHBondContact O-N 3.11Å; T11-D14 WeakPolarHBondContact CB-OD2 3.19Å; T11-D14 WeakPolarHBondContact CG2-OD2 3.34Å; T11-D14 PolarHBondContact N-OD2 3.43Å; T11-D14 PolarHBondContact O-N 2.79Å; T11-D14 PolarHBondContact OG1-N 3.03Å; T11-D14 VanDerWaalsContact OG1-N 3.1Å; T11-D14 PolarHBondContact OG1-OD1 3.33Å; T11-D14 PolarHBondContact OG1-OD2 3.44Å; T11-K15 WeakPolarHBondContact O-CG 3.43Å; T11-K15 PolarHBondContact O-N 3Å; T11-K15 VanDerWaalsContact O-N 3.11Å; T11-L65 WeakPolarHBondContact CB-O 3.35Å; T11-A66 VanDerWaalsContact CG2-O 3.28Å; T11-A66 WeakPolarHBondContact CG2-O 3.44Å; T11-R68 CarbonylContact C-O 3.52Å; T11-R68 WeakPolarHBondContact CA-O 3.47Å; T11-K69 HydrophobicContact CG2-CG 4.11Å
12I81.3Confident78.1Confident0 Ų081 Ų810%040%0.395CS..Hα-helixtrans-65.5-35.3175.2-54-55000110.2K15 L16 I52 L65 R68 M71I12-K15 HydrophobicContact CD1-CD 4.24Å; I12-K15 WeakPolarHBondContact O-CB 3.3Å; I12-K15 PolarHBondContact O-N 3.24Å; I12-L16 HydrophobicContact CG2-CD1 4.42Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.04Å; I12-I52 HydrophobicContact CG2-CG2 4.34Å; I12-L65 HydrophobicContact CB-CB 4.35Å; I12-L65 HydrophobicContact CB-CD2 3.82Å; I12-L65 HydrophobicContact CG2-CD2 3.52Å; I12-L65 PolarHBondContact N-O 3.11Å; I12-R68 HydrophobicContact CG1-CB 4.37Å; I12-R68 HydrophobicContact CG1-CG 4.38Å; I12-R68 WeakPolarHBondContact CG1-O 3.33Å; I12-R68 PolarHBondContact N-O 3.42Å; I12-M71 HydrophobicContact CD1-CG 3.51Å; I12-M71 HydrophobicContact CD1-SD 4.25Å
13K82.3Confident80Confident110 Ų11080.4 Ų80.448%0.47838%0.379SS..Hα-helixtrans-59.6-46.5172.7179.8178177.4-177.40111.7T11 K15 L16 D17 L65 A66T11-K13 VanDerWaalsContact C-N 3.26Å; T11-K13 PolarHBondContact O-N 3.11Å; K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 PolarHBondContact O-N 3.15Å; K13-L16 PolarHBondContact O-N 3.26Å; K13-D17 PolarHBondContact O-N 2.74Å; K13-L65 HydrophobicContact CB-CB 4.18Å; K13-L65 WeakPolarHBondContact CB-O 3.48Å; K13-L65 PolarHBondContact N-O 3.45Å; K13-A66 HydrophobicContact CB-CB 4.4Å; K13-A66 HydrophobicContact CD-CB 3.77Å
14D84.8Confident81.6Confident50 Ų5083.4 Ų83.427%0.26738%0.38SS..Hα-helixtrans-62.1-38177.7-55.8-36.7000111L10 T11 D17 I18 Y35L10-D14 HydrophobicContact CB-CB 4.21Å; L10-D14 HydrophobicContact CD2-CB 4.03Å; T11-D14 WeakPolarHBondContact CB-OD2 3.19Å; T11-D14 WeakPolarHBondContact CG2-OD2 3.34Å; T11-D14 PolarHBondContact N-OD2 3.43Å; T11-D14 PolarHBondContact O-N 2.79Å; T11-D14 PolarHBondContact OG1-N 3.03Å; T11-D14 VanDerWaalsContact OG1-N 3.1Å; T11-D14 PolarHBondContact OG1-OD1 3.33Å; T11-D14 PolarHBondContact OG1-OD2 3.44Å; D14-D17 PolarHBondContact O-N 3.29Å; D14-I18 WeakPolarHBondContact O-CB 3.39Å; D14-I18 WeakPolarHBondContact O-CD1 3.19Å; D14-I18 WeakPolarHBondContact O-CG1 3.42Å; D14-I18 PolarHBondContact O-N 3.48Å; D14-Y35 HydrophobicContact CB-CD1 4.39Å; D14-Y35 HydrophobicContact CB-CE1 4.33Å
15K87.6Confident83Confident36 Ų3676.5 Ų76.516%0.15737%0.369CS..Hα-helixtrans-65.8-40176.1-66.6171.7-166.5173.60112.1L10 T11 I12 K13 I18 I19 I45 I52 K69L10-K15 HydrophobicContact CB-CG 4.21Å; L10-K15 HydrophobicContact CD1-CG 4.45Å; T11-K15 WeakPolarHBondContact O-CG 3.43Å; T11-K15 PolarHBondContact O-N 3Å; T11-K15 VanDerWaalsContact O-N 3.11Å; I12-K15 HydrophobicContact CD1-CD 4.24Å; I12-K15 WeakPolarHBondContact O-CB 3.3Å; I12-K15 PolarHBondContact O-N 3.24Å; K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 PolarHBondContact O-N 3.15Å; K15-I18 PolarHBondContact O-N 3.28Å; K15-I19 VanDerWaalsContact O-CG1 3.27Å; K15-I19 WeakPolarHBondContact O-CG1 3.24Å; K15-I19 PolarHBondContact O-N 3.01Å; K15-I45 HydrophobicContact CB-CG2 4.31Å; K15-I45 HydrophobicContact CG-CD1 4.02Å; K15-I45 HydrophobicContact CG-CG1 4.24Å; K15-I52 HydrophobicContact CB-CD1 4.44Å; K15-I52 HydrophobicContact CB-CG2 4.21Å; K15-I52 HydrophobicContact CD-CD1 4.37Å; K15-K69 PolarHBondContact NZ-O 3.48Å
16L84.6Confident84Confident48 Ų4868.4 Ų68.425%0.25135%0.346SS..Hα-helixtrans-66.5-40.9175.4-69.2168.2000111.8I12 K13 I18 I19 K20 I52 I53 A56 L65I12-L16 HydrophobicContact CG2-CD1 4.42Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.04Å; K13-L16 PolarHBondContact O-N 3.26Å; L16-I18 VanDerWaalsContact C-N 3.34Å; L16-I19 PolarHBondContact O-N 3.46Å; L16-K20 PolarHBondContact O-N 2.92Å; L16-I52 HydrophobicContact CD2-CG2 3.98Å; L16-I52 HydrophobicContact CG-CG2 4.35Å; L16-I53 HydrophobicContact CD2-CG1 4.3Å; L16-A56 HydrophobicContact CD1-CB 3.62Å; L16-A56 HydrophobicContact CD2-CB 3.93Å; L16-A56 HydrophobicContact CG-CB 4.29Å; L16-L65 HydrophobicContact CD1-CD1 3.91Å
17D87.3Confident84.9Confident58 Ų5861.9 Ų61.931%0.3133%0.325SS..Hα-helixtrans-64.9-39.2175.7-170.836.1000111.4K13 D14 K20 K21 Y35K13-D17 PolarHBondContact O-N 2.74Å; D14-D17 PolarHBondContact O-N 3.29Å; D17-K20 PolarHBondContact O-N 3.04Å; D17-K21 WeakPolarHBondContact O-CB 3.49Å; D17-K21 WeakPolarHBondContact O-CG 3.5Å; D17-K21 PolarHBondContact O-N 3.05Å; D17-K21 WeakPolarHBondContact OD1-CE 3.44Å; D17-K21 IonicContact OD1-NZ 3.08Å; D17-K21 IonicContact OD2-NZ 2.7Å; D17-K21 PolarHBondContact OD2-NZ 2.97Å; D17-Y35 VanDerWaalsContact CG-OH 3.22Å; D17-Y35 PolarHBondContact OD2-OH 3.45Å
18I88.7Confident85.4Confident0 Ų052.1 Ų52.10%029%0.291CS..Hα-helixtrans-61.7-43.2171.3-70.4163.8000111.1L10 D14 K15 L16 L22 L31 Y35 I37 V42 I45L10-I18 HydrophobicContact CD1-CD1 3.68Å; D14-I18 WeakPolarHBondContact O-CB 3.39Å; D14-I18 WeakPolarHBondContact O-CD1 3.19Å; D14-I18 WeakPolarHBondContact O-CG1 3.42Å; D14-I18 PolarHBondContact O-N 3.48Å; K15-I18 PolarHBondContact O-N 3.28Å; L16-I18 VanDerWaalsContact C-N 3.34Å; I18-L22 HydrophobicContact CG2-CD1 3.86Å; I18-L22 HydrophobicContact CG2-CG 4.37Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 3.3Å; I18-L31 HydrophobicContact CG2-CD1 4.48Å; I18-Y35 HydrophobicContact CD1-CD1 4.04Å; I18-Y35 HydrophobicContact CD1-CD2 3.95Å; I18-Y35 HydrophobicContact CD1-CE1 4.31Å; I18-Y35 HydrophobicContact CD1-CE2 4.25Å; I18-Y35 HydrophobicContact CD1-CG 3.85Å; I18-Y35 HydrophobicContact CG1-CD1 4.16Å; I18-Y35 HydrophobicContact CG1-CD2 3.66Å; I18-Y35 HydrophobicContact CG1-CE1 3.99Å; I18-Y35 HydrophobicContact CG1-CE2 3.48Å; I18-Y35 VanDerWaalsContact CG1-CE2 3.48Å; I18-Y35 HydrophobicContact CG1-CG 4.01Å; I18-I37 HydrophobicContact CD1-CD1 4.09Å; I18-V42 HydrophobicContact CG2-CG1 4.2Å; I18-I45 HydrophobicContact CD1-CD1 3.98Å; I18-I45 HydrophobicContact CG2-CG2 4.13Å
19I88Confident85.6Confident7 Ų755.3 Ų55.34%0.03630%0.3CS..Hα-helixtrans-61.8-49177.6-70.3162.7000110.3K15 L16 K21 L22 E23 I45 K49 I52 I53K15-I19 VanDerWaalsContact O-CG1 3.27Å; K15-I19 WeakPolarHBondContact O-CG1 3.24Å; K15-I19 PolarHBondContact O-N 3.01Å; L16-I19 PolarHBondContact O-N 3.46Å; I19-K21 PolarHBondContact O-N 3.38Å; I19-L22 WeakPolarHBondContact O-CB 3.46Å; I19-L22 PolarHBondContact O-N 3.27Å; I19-L22 VanDerWaalsContact O-N 3.09Å; I19-E23 WeakPolarHBondContact O-CG 3.26Å; I19-E23 PolarHBondContact O-N 2.99Å; I19-I45 HydrophobicContact CD1-CG2 4.17Å; I19-I45 HydrophobicContact CG1-CG2 3.79Å; I19-K49 HydrophobicContact CD1-CB 4.03Å; I19-K49 HydrophobicContact CG1-CB 4.22Å; I19-K49 HydrophobicContact CG2-CB 4.32Å; I19-I52 HydrophobicContact CD1-CB 4.02Å; I19-I52 HydrophobicContact CD1-CD1 4.24Å; I19-I52 HydrophobicContact CD1-CG2 3.9Å; I19-I53 HydrophobicContact CG2-CD1 4.28Å
20K87.9Confident85.8Confident131 Ų13157.9 Ų57.957%0.5731%0.307SS*.Hα-helixtrans-56.6-50.3178.4-172.2178.7179.7179.20111.4L16 D17 L22 E23 D24L16-K20 PolarHBondContact O-N 2.92Å; D17-K20 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact C-N 3.26Å; K20-L22 PolarHBondContact O-N 3.18Å; K20-E23 PolarHBondContact O-N 3.12Å; K20-D24 VanDerWaalsContact O-CG 3.3Å; K20-D24 PolarHBondContact O-N 3.41Å
21K87.5Confident86Confident73 Ų7357.5 Ų57.532%0.31731%0.305SS..Hα-helixtrans-64.5-26.7177.8-70173.2-178.8163.60113.7D17 I19 G26 L31 Y35D17-K21 WeakPolarHBondContact O-CB 3.49Å; D17-K21 WeakPolarHBondContact O-CG 3.5Å; D17-K21 PolarHBondContact O-N 3.05Å; D17-K21 WeakPolarHBondContact OD1-CE 3.44Å; D17-K21 IonicContact OD1-NZ 3.08Å; D17-K21 IonicContact OD2-NZ 2.7Å; D17-K21 PolarHBondContact OD2-NZ 2.97Å; I19-K21 PolarHBondContact O-N 3.38Å; K21-G26 WeakPolarHBondContact O-CA 3.35Å; K21-G26 PolarHBondContact O-N 2.98Å; K21-L31 HydrophobicContact CB-CD1 4.23Å; K21-L31 HydrophobicContact CB-CD2 3.8Å; K21-L31 HydrophobicContact CD-CD2 3.86Å; K21-L31 HydrophobicContact CG-CD2 4.46Å; K21-Y35 PolarHBondContact NZ-OH 3.1Å
22L88.1Confident86.1Confident5 Ų557.1 Ų57.13%0.02630%0.303CS..Hα-helixtrans-76.9-27.1173.2-77.3170.1000113I18 I19 K20 L31 V42 R46I18-L22 HydrophobicContact CG2-CD1 3.86Å; I18-L22 HydrophobicContact CG2-CG 4.37Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 3.3Å; I19-L22 WeakPolarHBondContact O-CB 3.46Å; I19-L22 PolarHBondContact O-N 3.27Å; I19-L22 VanDerWaalsContact O-N 3.09Å; K20-L22 VanDerWaalsContact C-N 3.26Å; K20-L22 PolarHBondContact O-N 3.18Å; L22-L31 HydrophobicContact CD2-CD1 3.52Å; L22-L31 HydrophobicContact CG-CD1 3.53Å; L22-V42 HydrophobicContact CD1-CG1 3.98Å; L22-V42 HydrophobicContact CD2-CG1 4.16Å; L22-V42 HydrophobicContact CG-CG1 4.49Å; L22-R46 HydrophobicContact CD1-CB 3.98Å; L22-R46 HydrophobicContact CD1-CG 4.18Å; L22-R46 PolarHBondContact O-NH2 3.41Å
23E86.2Confident86.4Confident111 Ų11162.8 Ų62.852%0.51934%0.338SS..Hα-helixtrans-80.5-34.5175.6-71.6-178.815900110.9I19 K20 G25 K49I19-E23 WeakPolarHBondContact O-CG 3.26Å; I19-E23 PolarHBondContact O-N 2.99Å; K20-E23 PolarHBondContact O-N 3.12Å; E23-G25 PolarHBondContact O-N 3.32Å; E23-K49 IonicContact OE1-NZ 3.42Å; E23-K49 PolarHBondContact OE1-NZ 3.4Å; E23-K49 VanDerWaalsContact OE1-NZ 3.13Å
24D86.4Confident86.5Confident124 Ų12463 Ų6366%0.66334%0.343SS*.THydrogen-bonded Turntrans-71.79.9171.6-61.3-25.1000113.6K20K20-D24 VanDerWaalsContact O-CG 3.3Å; K20-D24 PolarHBondContact O-N 3.41Å
25G84.3Confident86.5Confident68 Ų6862.2 Ų62.270%0.70134%0.336SS*.THydrogen-bonded Turntrans89.19.7176.400000116.1E23E23-G25 PolarHBondContact O-N 3.32Å
26G84.4Confident86.4Confident25 Ų2562.5 Ų62.526%0.25835%0.35SS..  trans-66.2145-179.100000114.8K21K21-G26 WeakPolarHBondContact O-CA 3.35Å; K21-G26 PolarHBondContact O-N 2.98Å
27S87.8Confident86.5Confident55 Ų5560.9 Ų60.939%0.38534%0.341SS..  trans-78.4133.2179.41780000112.6K29 Q30 L31S27-K29 PolarHBondContact O-N 3.38Å; S27-K29 PolarHBondContact OG-N 2.92Å; S27-Q30 PolarHBondContact O-N 2.95Å; S27-Q30 VanDerWaalsContact O-N 3.09Å; S27-L31 PolarHBondContact O-N 3.36Å
28S85.8Confident86.5Confident22 Ų2259 Ų5915%0.15434%0.335CS..Hα-helixtrans-59.8-29.6177.2-53.30000113.4A32S28-A32 WeakPolarHBondContact O-CB 3.38Å; S28-A32 PolarHBondContact O-N 3.39Å
29K85.4Confident86.3Confident139 Ų13962.3 Ų62.360%0.60435%0.351SS*.Hα-helixtrans-70.5-40176.8-174.7171.7-176.4-1770111.6S27 V33 E39S27-K29 PolarHBondContact O-N 3.38Å; S27-K29 PolarHBondContact OG-N 2.92Å; K29-V33 WeakPolarHBondContact O-CG2 3.48Å; K29-V33 PolarHBondContact O-N 3.45Å; K29-E39 WeakPolarHBondContact CG-OE1 3.42Å
30Q86.4Confident86.2Confident125 Ų12566.2 Ų66.258%0.58438%0.375SS*.Hα-helixtrans-68.7-44.5176.7-70.3170-23.300111.1S27 A32 V33 I34S27-Q30 PolarHBondContact O-N 2.95Å; S27-Q30 VanDerWaalsContact O-N 3.09Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.42Å; Q30-V33 PolarHBondContact O-N 2.89Å; Q30-V33 VanDerWaalsContact O-N 3.17Å; Q30-I34 WeakPolarHBondContact O-CG1 3.31Å; Q30-I34 PolarHBondContact O-N 3.15Å
31L87.1Confident86.1Confident6 Ų662.7 Ų62.73%0.03137%0.365CS..Hα-helixtrans-65.3-36.5178-65.6171.4000112.2I18 K21 L22 S27 V33 I34 Y35 V42I18-L31 HydrophobicContact CG2-CD1 4.48Å; K21-L31 HydrophobicContact CB-CD1 4.23Å; K21-L31 HydrophobicContact CB-CD2 3.8Å; K21-L31 HydrophobicContact CD-CD2 3.86Å; K21-L31 HydrophobicContact CG-CD2 4.46Å; L22-L31 HydrophobicContact CD2-CD1 3.52Å; L22-L31 HydrophobicContact CG-CD1 3.53Å; S27-L31 PolarHBondContact O-N 3.36Å; L31-V33 VanDerWaalsContact C-N 3.25Å; L31-V33 PolarHBondContact O-N 3.32Å; L31-I34 HydrophobicContact CD2-CD1 4.38Å; L31-I34 PolarHBondContact O-N 2.73Å; L31-Y35 HydrophobicContact CD2-CE2 3.96Å; L31-Y35 VanDerWaalsContact O-CD2 3.3Å; L31-Y35 WeakPolarHBondContact O-CD2 3.48Å; L31-Y35 PolarHBondContact O-N 2.83Å; L31-Y35 VanDerWaalsContact O-N 3.07Å; L31-V42 HydrophobicContact CB-CG1 4.37Å; L31-V42 HydrophobicContact CB-CG2 4.47Å
32A86.9Confident86.1Confident7 Ų759.2 Ų59.26%0.05835%0.35CS..Hα-helixtrans-58.5-39.117400000112.2S28 Q30 G36 I37 E39 V42S28-A32 WeakPolarHBondContact O-CB 3.38Å; S28-A32 PolarHBondContact O-N 3.39Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.42Å; A32-G36 WeakPolarHBondContact O-CA 3.48Å; A32-G36 PolarHBondContact O-N 2.93Å; A32-G36 VanDerWaalsContact O-N 3.13Å; A32-I37 PolarHBondContact O-N 3.3Å; A32-E39 HydrophobicContact CB-CB 4.48Å; A32-E39 HydrophobicContact CB-CG 3.82Å; A32-V42 HydrophobicContact CB-CG2 3.96Å
33V86.5Confident86Confident119 Ų11965.6 Ų65.672%0.72137%0.373SS*.Hα-helixtrans-71-48176.6176.20000111.2K29 Q30 L31 Y35 G36K29-V33 WeakPolarHBondContact O-CG2 3.48Å; K29-V33 PolarHBondContact O-N 3.45Å; Q30-V33 PolarHBondContact O-N 2.89Å; Q30-V33 VanDerWaalsContact O-N 3.17Å; L31-V33 VanDerWaalsContact C-N 3.25Å; L31-V33 PolarHBondContact O-N 3.32Å; V33-Y35 VanDerWaalsContact C-N 3.32Å; V33-Y35 PolarHBondContact O-N 3.29Å; V33-G36 PolarHBondContact O-N 2.95Å; V33-G36 VanDerWaalsContact O-N 3.17Å
34I85.4Confident86Confident115 Ų11564.5 Ų64.559%0.5937%0.371SS*.Hα-helixtrans-57.6-43.3-177.7-69.7165.1000111.8Q30 L31Q30-I34 WeakPolarHBondContact O-CG1 3.31Å; Q30-I34 PolarHBondContact O-N 3.15Å; L31-I34 HydrophobicContact CD2-CD1 4.38Å; L31-I34 PolarHBondContact O-N 2.73Å
35Y84.6Confident86.1Confident33 Ų3359.1 Ų59.113%0.12934%0.342CS..THydrogen-bonded Turntrans-94.71-178.2-65.6-91.7000113.5L10 D14 D17 I18 K21 L31 V33 I37L10-Y35 HydrophobicContact CD2-CD1 4.31Å; D14-Y35 HydrophobicContact CB-CD1 4.39Å; D14-Y35 HydrophobicContact CB-CE1 4.33Å; D17-Y35 VanDerWaalsContact CG-OH 3.22Å; D17-Y35 PolarHBondContact OD2-OH 3.45Å; I18-Y35 HydrophobicContact CD1-CD1 4.04Å; I18-Y35 HydrophobicContact CD1-CD2 3.95Å; I18-Y35 HydrophobicContact CD1-CE1 4.31Å; I18-Y35 HydrophobicContact CD1-CE2 4.25Å; I18-Y35 HydrophobicContact CD1-CG 3.85Å; I18-Y35 HydrophobicContact CG1-CD1 4.16Å; I18-Y35 HydrophobicContact CG1-CD2 3.66Å; I18-Y35 HydrophobicContact CG1-CE1 3.99Å; I18-Y35 HydrophobicContact CG1-CE2 3.48Å; I18-Y35 VanDerWaalsContact CG1-CE2 3.48Å; I18-Y35 HydrophobicContact CG1-CG 4.01Å; K21-Y35 PolarHBondContact NZ-OH 3.1Å; L31-Y35 HydrophobicContact CD2-CE2 3.96Å; L31-Y35 VanDerWaalsContact O-CD2 3.3Å; L31-Y35 WeakPolarHBondContact O-CD2 3.48Å; L31-Y35 PolarHBondContact O-N 2.83Å; L31-Y35 VanDerWaalsContact O-N 3.07Å; V33-Y35 VanDerWaalsContact C-N 3.32Å; V33-Y35 PolarHBondContact O-N 3.29Å; Y35-I37 VanDerWaalsContact C-N 3.31Å; Y35-I37 PolarHBondContact O-N 2.97Å
36G85.1Confident86.3Confident42 Ų4261.7 Ų61.743%0.43333%0.331SS..THydrogen-bonded Turntrans63.332.4179.900000114.3V8 A32 V33V8-G36 WeakPolarHBondContact CG2-O 3.15Å; A32-G36 WeakPolarHBondContact O-CA 3.48Å; A32-G36 PolarHBondContact O-N 2.93Å; A32-G36 VanDerWaalsContact O-N 3.13Å; V33-G36 PolarHBondContact O-N 2.95Å; V33-G36 VanDerWaalsContact O-N 3.17Å
37I87.8Confident86.5Confident13 Ų1369 Ų697%0.06736%0.355CS..  trans-114.1172.2-177.665.9177.4000112.4V8 L10 I18 A32 Y35 T41 V42 I45V8-I37 HydrophobicContact CB-CG2 4.22Å; V8-I37 HydrophobicContact CG1-CG2 4.16Å; L10-I37 HydrophobicContact CD1-CD1 3.62Å; L10-I37 HydrophobicContact CD1-CG2 3.96Å; L10-I37 HydrophobicContact CD2-CG2 3.94Å; L10-I37 HydrophobicContact CG-CG2 3.94Å; I18-I37 HydrophobicContact CD1-CD1 4.09Å; A32-I37 PolarHBondContact O-N 3.3Å; Y35-I37 VanDerWaalsContact C-N 3.31Å; Y35-I37 PolarHBondContact O-N 2.97Å; I37-T41 HydrophobicContact CD1-CG2 4.07Å; I37-V42 HydrophobicContact CD1-CG2 3.62Å; I37-V42 HydrophobicContact CG1-CG2 3.92Å; I37-I45 HydrophobicContact CD1-CD1 4.36Å
38G86.6Confident86.4Confident19 Ų1969.5 Ų69.520%0.19635%0.354CS..  trans-75.2147.217200000112.1T40 T41 V42G38-T40 PolarHBondContact O-N 3.34Å; G38-T41 VanDerWaalsContact O-CB 3.32Å; G38-T41 WeakPolarHBondContact O-CB 3.18Å; G38-T41 PolarHBondContact O-N 3.38Å; G38-V42 PolarHBondContact O-N 3.33Å
39E85Confident86.4Confident70 Ų7072 Ų7233%0.32736%0.362SS..Hα-helixtrans-58.1-33.5174.2-70-173.7-159.400112.4K29 A32 T41 V42 R43K29-E39 WeakPolarHBondContact CG-OE1 3.42Å; A32-E39 HydrophobicContact CB-CB 4.48Å; A32-E39 HydrophobicContact CB-CG 3.82Å; E39-T41 VanDerWaalsContact C-N 3.31Å; E39-T41 PolarHBondContact O-N 2.97Å; E39-V42 PolarHBondContact O-N 3.41Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.88Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE2-NH2 2.83Å; E39-R43 PolarHBondContact OE2-NH2 2.89Å
40T85.3Confident86.1Confident89 Ų8972 Ų7255%0.54636%0.364SS..Hα-helixtrans-59.7-42173.6480000111.5G38 V42 R43 D44G38-T40 PolarHBondContact O-N 3.34Å; T40-V42 PolarHBondContact O-N 3.06Å; T40-R43 PolarHBondContact O-N 3.11Å; T40-D44 VanDerWaalsContact O-CG 3.26Å; T40-D44 PolarHBondContact O-N 2.9Å
41T85.6Confident85.8Confident57 Ų5773.2 Ų73.235%0.3537%0.367SS..Hα-helixtrans-63.5-38.6176.6-48.50000112.2I37 G38 E39 D44 I45I37-T41 HydrophobicContact CD1-CG2 4.07Å; G38-T41 VanDerWaalsContact O-CB 3.32Å; G38-T41 WeakPolarHBondContact O-CB 3.18Å; G38-T41 PolarHBondContact O-N 3.38Å; E39-T41 VanDerWaalsContact C-N 3.31Å; E39-T41 PolarHBondContact O-N 2.97Å; T41-D44 PolarHBondContact O-N 3.48Å; T41-I45 HydrophobicContact CG2-CD1 4.24Å; T41-I45 WeakPolarHBondContact O-CD1 3.48Å; T41-I45 VanDerWaalsContact O-CG1 3.24Å; T41-I45 WeakPolarHBondContact O-CG1 3.44Å; T41-I45 PolarHBondContact O-N 2.88Å
42V87.2Confident85.4Confident0 Ų073.1 Ų73.10%037%0.367CS..Hα-helixtrans-62.8-43.8174.2-178.10000110.7I18 L22 L31 A32 I37 G38 E39 T40 I45 R46I18-V42 HydrophobicContact CG2-CG1 4.2Å; L22-V42 HydrophobicContact CD1-CG1 3.98Å; L22-V42 HydrophobicContact CD2-CG1 4.16Å; L22-V42 HydrophobicContact CG-CG1 4.49Å; L31-V42 HydrophobicContact CB-CG1 4.37Å; L31-V42 HydrophobicContact CB-CG2 4.47Å; A32-V42 HydrophobicContact CB-CG2 3.96Å; I37-V42 HydrophobicContact CD1-CG2 3.62Å; I37-V42 HydrophobicContact CG1-CG2 3.92Å; G38-V42 PolarHBondContact O-N 3.33Å; E39-V42 PolarHBondContact O-N 3.41Å; T40-V42 PolarHBondContact O-N 3.06Å; V42-I45 PolarHBondContact O-N 3.22Å; V42-R46 PolarHBondContact O-N 3.45Å
43R86.4Confident84.8Confident138 Ų13875.8 Ų75.852%0.52138%0.379SS..Hα-helixtrans-65.4-38.9177.7-65.7177.3-152162.86.5111.9E39 T40 R46 K47E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.88Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE2-NH2 2.83Å; E39-R43 PolarHBondContact OE2-NH2 2.89Å; T40-R43 PolarHBondContact O-N 3.11Å; R43-R46 WeakPolarHBondContact O-CB 3.38Å; R43-R46 PolarHBondContact O-N 2.92Å; R43-K47 PolarHBondContact O-N 3.02Å
44D86.7Confident84.3Confident89 Ų8974.6 Ų74.648%0.47637%0.372SS..Hα-helixtrans-66.8-37.1176.6-69.1-25.5000112.5T40 T41 K47 N48T40-D44 VanDerWaalsContact O-CG 3.26Å; T40-D44 PolarHBondContact O-N 2.9Å; T41-D44 PolarHBondContact O-N 3.48Å; D44-K47 PolarHBondContact O-N 3.42Å; D44-N48 WeakPolarHBondContact O-CB 3.47Å; D44-N48 PolarHBondContact O-N 2.87Å; D44-N48 PolarHBondContact O-ND2 2.98Å
45I87.9Confident83.5Confident10 Ų1071.1 Ų71.15%0.05135%0.352CS..Hα-helixtrans-62.8-44.7172.4-70.2163.4000109.8L10 K15 I18 I19 I37 T41 V42 K47 N48 K49 I52L10-I45 HydrophobicContact CD1-CD1 3.66Å; K15-I45 HydrophobicContact CB-CG2 4.31Å; K15-I45 HydrophobicContact CG-CD1 4.02Å; K15-I45 HydrophobicContact CG-CG1 4.24Å; I18-I45 HydrophobicContact CD1-CD1 3.98Å; I18-I45 HydrophobicContact CG2-CG2 4.13Å; I19-I45 HydrophobicContact CD1-CG2 4.17Å; I19-I45 HydrophobicContact CG1-CG2 3.79Å; I37-I45 HydrophobicContact CD1-CD1 4.36Å; T41-I45 HydrophobicContact CG2-CD1 4.24Å; T41-I45 WeakPolarHBondContact O-CD1 3.48Å; T41-I45 VanDerWaalsContact O-CG1 3.24Å; T41-I45 WeakPolarHBondContact O-CG1 3.44Å; T41-I45 PolarHBondContact O-N 2.88Å; V42-I45 PolarHBondContact O-N 3.22Å; I45-K47 PolarHBondContact O-N 2.99Å; I45-N48 CarbonylContact O-C 3.59Å; I45-N48 PolarHBondContact O-N 3.33Å; I45-K49 PolarHBondContact O-N 2.91Å; I45-K49 VanDerWaalsContact O-N 3.11Å; I45-I52 HydrophobicContact CG2-CD1 4.09Å
46R87.8Confident82.6Confident122 Ų12270.3 Ų70.346%0.4635%0.353SS..Hα-helixtrans-60.1-44.1176.1-164.2-179.6-134.51716112L22 V42 R43 N48 K49L22-R46 HydrophobicContact CD1-CB 3.98Å; L22-R46 HydrophobicContact CD1-CG 4.18Å; L22-R46 PolarHBondContact O-NH2 3.41Å; V42-R46 PolarHBondContact O-N 3.45Å; R43-R46 WeakPolarHBondContact O-CB 3.38Å; R43-R46 PolarHBondContact O-N 2.92Å; R46-N48 VanDerWaalsContact C-N 3.31Å; R46-N48 PolarHBondContact O-N 3.16Å; R46-K49 WeakPolarHBondContact O-CB 3.38Å; R46-K49 WeakPolarHBondContact O-CG 3.32Å; R46-K49 PolarHBondContact O-N 3.46Å
47K89.3Confident81.6Confident178 Ų17872.7 Ų72.777%0.77436%0.363SS*.Hα-helixtrans-64.3-35.7179-173.3177.2178.9179.90112.3R43 D44 I45R43-K47 PolarHBondContact O-N 3.02Å; D44-K47 PolarHBondContact O-N 3.42Å; I45-K47 PolarHBondContact O-N 2.99Å
48N86.4Confident80.1Confident66 Ų6675.7 Ų75.735%0.35339%0.385SS..THydrogen-bonded Turntrans-95.218179-66.1-59.1000113.2D44 I45 R46 E50 K51 I52D44-N48 WeakPolarHBondContact O-CB 3.47Å; D44-N48 PolarHBondContact O-N 2.87Å; D44-N48 PolarHBondContact O-ND2 2.98Å; I45-N48 CarbonylContact O-C 3.59Å; I45-N48 PolarHBondContact O-N 3.33Å; R46-N48 VanDerWaalsContact C-N 3.31Å; R46-N48 PolarHBondContact O-N 3.16Å; N48-E50 VanDerWaalsContact C-N 3.32Å; N48-E50 PolarHBondContact O-N 3.07Å; N48-K51 PolarHBondContact O-N 3.42Å; N48-I52 HydrophobicContact CB-CD1 4.24Å; N48-I52 WeakPolarHBondContact O-CG1 3.24Å; N48-I52 PolarHBondContact O-N 3.2Å
49K84.4Confident78.5Confident75 Ų7575.5 Ų75.533%0.32638%0.381SS..Hα-helixtrans-54.7-45.9-171.871.5175.3-163158.10112.8I19 E23 I45 R46 K51 I52 I53I19-K49 HydrophobicContact CD1-CB 4.03Å; I19-K49 HydrophobicContact CG1-CB 4.22Å; I19-K49 HydrophobicContact CG2-CB 4.32Å; E23-K49 IonicContact OE1-NZ 3.42Å; E23-K49 PolarHBondContact OE1-NZ 3.4Å; E23-K49 VanDerWaalsContact OE1-NZ 3.13Å; I45-K49 PolarHBondContact O-N 2.91Å; I45-K49 VanDerWaalsContact O-N 3.11Å; R46-K49 WeakPolarHBondContact O-CB 3.38Å; R46-K49 WeakPolarHBondContact O-CG 3.32Å; R46-K49 PolarHBondContact O-N 3.46Å; K49-K51 PolarHBondContact O-N 3.22Å; K49-I52 PolarHBondContact O-N 2.96Å; K49-I52 VanDerWaalsContact O-N 3.17Å; K49-I53 WeakPolarHBondContact O-CB 3.41Å; K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.27Å; K49-I53 PolarHBondContact O-N 3.46Å
50E78.8Confident76.8Confident139 Ų13976.5 Ų76.565%0.6539%0.388SS*.Hα-helixtrans-65.1-43.5-176.2-63.9-166.4176.300110.8N48 I52 I53 T54N48-E50 VanDerWaalsContact C-N 3.32Å; N48-E50 PolarHBondContact O-N 3.07Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 3.3Å; E50-I53 PolarHBondContact O-N 3.42Å; E50-T54 WeakPolarHBondContact O-CB 3.44Å; E50-T54 PolarHBondContact O-N 2.78Å; E50-T54 PolarHBondContact O-OG1 2.79Å
51K80.5Confident75.1Confident150 Ų15072.4 Ų72.465%0.65236%0.363SS*.Hα-helixtrans-60.7-39.4175.7-64.6-176.6179.5-178.60112.2N48 K49 Y55N48-K51 PolarHBondContact O-N 3.42Å; K49-K51 PolarHBondContact O-N 3.22Å; K51-Y55 WeakPolarHBondContact O-CB 3.46Å; K51-Y55 PolarHBondContact O-N 3.48Å
52I78.5Confident73.3Confident5 Ų573.2 Ų73.23%0.02637%0.368CS..Hα-helixtrans-71-40.2179.2-64.3166.5000110.7I12 K15 L16 I19 I45 N48 K49 E50 A56 M71I12-I52 HydrophobicContact CG2-CG2 4.34Å; K15-I52 HydrophobicContact CB-CD1 4.44Å; K15-I52 HydrophobicContact CB-CG2 4.21Å; K15-I52 HydrophobicContact CD-CD1 4.37Å; L16-I52 HydrophobicContact CD2-CG2 3.98Å; L16-I52 HydrophobicContact CG-CG2 4.35Å; I19-I52 HydrophobicContact CD1-CB 4.02Å; I19-I52 HydrophobicContact CD1-CD1 4.24Å; I19-I52 HydrophobicContact CD1-CG2 3.9Å; I45-I52 HydrophobicContact CG2-CD1 4.09Å; N48-I52 HydrophobicContact CB-CD1 4.24Å; N48-I52 WeakPolarHBondContact O-CG1 3.24Å; N48-I52 PolarHBondContact O-N 3.2Å; K49-I52 PolarHBondContact O-N 2.96Å; K49-I52 VanDerWaalsContact O-N 3.17Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 3.3Å; I52-A56 VanDerWaalsContact O-CB 3.27Å; I52-A56 WeakPolarHBondContact O-CB 3.5Å; I52-A56 PolarHBondContact O-N 3.47Å; I52-M71 HydrophobicContact CG1-CE 4.15Å; I52-M71 HydrophobicContact CG1-SD 3.92Å
53I75.6Confident71.5Confident62 Ų6275.9 Ų75.932%0.31839%0.387SS..Hα-helixtrans-66.4-53.4176.4-68.4166.7000110L16 I19 K49 E50 Y55 A56 S57L16-I53 HydrophobicContact CD2-CG1 4.3Å; I19-I53 HydrophobicContact CG2-CD1 4.28Å; K49-I53 WeakPolarHBondContact O-CB 3.41Å; K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.27Å; K49-I53 PolarHBondContact O-N 3.46Å; E50-I53 PolarHBondContact O-N 3.42Å; I53-Y55 VanDerWaalsContact C-N 3.25Å; I53-Y55 PolarHBondContact O-N 3.06Å; I53-A56 CarbonylContact O-C 3.56Å; I53-A56 WeakPolarHBondContact O-CB 3.44Å; I53-A56 PolarHBondContact O-N 2.95Å; I53-S57 WeakPolarHBondContact O-CB 3.42Å; I53-S57 PolarHBondContact O-N 3.1Å; I53-S57 PolarHBondContact O-OG 3.1Å
54T74.8Confident70.2Confident94 Ų9470.5 Ų70.558%0.57737%0.368SS*.Hα-helixtrans-55-43.5176.9-56.80000111.2E50 S57 S58E50-T54 WeakPolarHBondContact O-CB 3.44Å; E50-T54 PolarHBondContact O-N 2.78Å; E50-T54 PolarHBondContact O-OG1 2.79Å; T54-S57 PolarHBondContact O-N 2.98Å; T54-S58 WeakPolarHBondContact O-CB 3.38Å; T54-S58 PolarHBondContact O-N 3.03Å; T54-S58 PolarHBondContact O-OG 3.24Å
55Y68.6Low69Low42 Ų4267 Ų6717%0.16535%0.349CS..Hα-helixtrans-65.5-38.6176.9-175.4-94.5000113.3K51 I53 S58 S59 R68 M71K51-Y55 WeakPolarHBondContact O-CB 3.46Å; K51-Y55 PolarHBondContact O-N 3.48Å; I53-Y55 VanDerWaalsContact C-N 3.25Å; I53-Y55 PolarHBondContact O-N 3.06Å; Y55-S58 WeakPolarHBondContact CA-OG 3.26Å; Y55-S58 CarbonylContact O-C 3.52Å; Y55-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-OG 3.5Å; Y55-S58 VanDerWaalsContact O-OG 3.12Å; Y55-S59 WeakPolarHBondContact CE1-OG 3.23Å; Y55-S59 WeakPolarHBondContact O-CB 3.37Å; Y55-S59 PolarHBondContact O-N 3.37Å; Y55-S59 PolarHBondContact O-OG 3.09Å; Y55-R68 PolarHBondContact OH-NE 3.49Å; Y55-R68 PolarHBondContact OH-NH1 2.89Å; Y55-R68 VanDerWaalsContact OH-NH1 3.17Å; Y55-R68 PolarHBondContact OH-NH2 3.34Å; Y55-M71 HydrophobicContact CD1-CB 4.28Å; Y55-M71 HydrophobicContact CD1-CG 3.72Å; Y55-M71 HydrophobicContact CD1-SD 4.07Å; Y55-M71 HydrophobicContact CD2-CB 4.21Å; Y55-M71 HydrophobicContact CD2-CG 4.45Å; Y55-M71 HydrophobicContact CE1-CB 4.07Å; Y55-M71 HydrophobicContact CE1-CG 3.76Å; Y55-M71 HydrophobicContact CE2-CB 4Å; Y55-M71 HydrophobicContact CE2-CG 4.48Å; Y55-M71 HydrophobicContact CG-CB 4.33Å; Y55-M71 HydrophobicContact CG-CG 4.06Å; Y55-M71 HydrophobicContact CG-SD 4.08Å
56A66.3Low67.6Low17 Ų1768.4 Ų68.414%0.1436%0.362CS..Hα-helixtrans-69.5-37.2175.500000111.7L16 I52 I53 S58 S59 L65L16-A56 HydrophobicContact CD1-CB 3.62Å; L16-A56 HydrophobicContact CD2-CB 3.93Å; L16-A56 HydrophobicContact CG-CB 4.29Å; I52-A56 VanDerWaalsContact O-CB 3.27Å; I52-A56 WeakPolarHBondContact O-CB 3.5Å; I52-A56 PolarHBondContact O-N 3.47Å; I53-A56 CarbonylContact O-C 3.56Å; I53-A56 WeakPolarHBondContact O-CB 3.44Å; I53-A56 PolarHBondContact O-N 2.95Å; A56-S58 VanDerWaalsContact C-N 3.29Å; A56-S58 PolarHBondContact O-N 3.48Å; A56-S59 PolarHBondContact O-N 3.46Å; A56-L65 HydrophobicContact CB-CD1 4.14Å; A56-L65 HydrophobicContact CB-CD2 4.16Å
57S63.4Low66.6Low92 Ų9270.5 Ų70.564%0.64338%0.375SS*.Hα-helixtrans-68.7-27.1174.2-58.90000112.8I53 T54I53-S57 WeakPolarHBondContact O-CB 3.42Å; I53-S57 PolarHBondContact O-N 3.1Å; I53-S57 PolarHBondContact O-OG 3.1Å; T54-S57 PolarHBondContact O-N 2.98Å
58S56.8Low65.6Low75 Ų7564.6 Ų64.652%0.52435%0.348SS..THydrogen-bonded Turntrans-95.21.2174.876.70000113.7T54 Y55 A56T54-S58 WeakPolarHBondContact O-CB 3.38Å; T54-S58 PolarHBondContact O-N 3.03Å; T54-S58 PolarHBondContact O-OG 3.24Å; Y55-S58 WeakPolarHBondContact CA-OG 3.26Å; Y55-S58 CarbonylContact O-C 3.52Å; Y55-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-OG 3.5Å; Y55-S58 VanDerWaalsContact O-OG 3.12Å; A56-S58 VanDerWaalsContact C-N 3.29Å; A56-S58 PolarHBondContact O-N 3.48Å
59S53.1Low65Low16 Ų1666.7 Ų66.711%0.11235%0.354CS..SBendtrans-111.7113.6-179.2-69.40000110Y55 A56 S61Y55-S59 WeakPolarHBondContact CE1-OG 3.23Å; Y55-S59 WeakPolarHBondContact O-CB 3.37Å; Y55-S59 PolarHBondContact O-N 3.37Å; Y55-S59 PolarHBondContact O-OG 3.09Å; A56-S59 PolarHBondContact O-N 3.46Å; S59-S61 VanDerWaalsContact C-N 3.27Å; S59-S61 PolarHBondContact O-N 3.39Å
60D50.1Low64.4Low91 Ų9165.9 Ų65.949%0.48736%0.357SS..  trans-75.923.7-161.9-54.5-53.9000116.5N299D60-N299 HydrophobicContact CB-CB 4.2Å; D60-N299 WeakPolarHBondContact O-CB 3.43Å; D60-N299 PolarHBondContact O-OD1 2.94Å
61S50.1Low63.8Low3 Ų362.3 Ų62.32%0.02134%0.341CS..  trans-159.4127.9173.5-175.80000115.3S59 S63 L64 L65 N301S59-S61 VanDerWaalsContact C-N 3.27Å; S59-S61 PolarHBondContact O-N 3.39Å; S61-S63 PolarHBondContact O-N 2.65Å; S61-S63 PolarHBondContact OG-N 3.3Å; S61-S63 PolarHBondContact OG-OG 2.76Å; S61-S63 VanDerWaalsContact OG-OG 3.06Å; S61-L64 WeakPolarHBondContact O-CA 3.45Å; S61-L64 VanDerWaalsContact O-CB 3.32Å; S61-L64 WeakPolarHBondContact O-CB 3.49Å; S61-L64 PolarHBondContact O-N 3.12Å; S61-L65 WeakPolarHBondContact O-CG 3.19Å; S61-L65 PolarHBondContact O-N 3.13Å; S61-N301 PolarHBondContact OG-ND2 3.04Å
62T46.5Very low63.1Low73 Ų7363.1 Ų63.145%0.44835%0.345SS..Hα-helixtrans-59.6-30.9170.9-49.60000112.8L65 A66T62-L65 PolarHBondContact O-N 3.11Å; T62-A66 WeakPolarHBondContact O-CB 3.07Å; T62-A66 PolarHBondContact O-N 2.91Å; T62-A66 VanDerWaalsContact O-N 3.1Å
63S48.9Very low62.3Low57 Ų5766.9 Ų66.940%0.39937%0.369SS..Hα-helixtrans-72-31.8174.987.80000112.3S61 A66 K67S61-S63 PolarHBondContact O-N 2.65Å; S61-S63 PolarHBondContact OG-N 3.3Å; S61-S63 PolarHBondContact OG-OG 2.76Å; S61-S63 VanDerWaalsContact OG-OG 3.06Å; S63-A66 PolarHBondContact O-N 2.77Å; S63-K67 PolarHBondContact O-N 3.01Å
64L59Low62Low24 Ų2464.7 Ų64.713%0.12636%0.36CS..Hα-helixtrans-69.7-44.9171.9-73.2178000110.4S61 A66 K67 R68 Q131 S134S61-L64 WeakPolarHBondContact O-CA 3.45Å; S61-L64 VanDerWaalsContact O-CB 3.32Å; S61-L64 WeakPolarHBondContact O-CB 3.49Å; S61-L64 PolarHBondContact O-N 3.12Å; L64-A66 PolarHBondContact O-N 3.37Å; L64-K67 PolarHBondContact O-N 2.93Å; L64-R68 WeakPolarHBondContact O-CA 3.39Å; L64-R68 WeakPolarHBondContact O-CB 3.31Å; L64-R68 PolarHBondContact O-N 3.39Å; L64-Q131 WeakPolarHBondContact CD2-O 3.32Å; L64-S134 WeakPolarHBondContact CD1-OG 3.33Å; L64-S134 VanDerWaalsContact CD2-OG 3.23Å; L64-S134 WeakPolarHBondContact CD2-OG 3.33Å; L64-S134 WeakPolarHBondContact CG-OG 3.48Å
65L61.9Low61.9Low16 Ų1668 Ų688%0.08437%0.371CS..Hα-helixtrans-58.5-33.7176.6-59.9174.4000111.1T11 I12 K13 L16 A56 S61 T62T11-L65 WeakPolarHBondContact CB-O 3.35Å; I12-L65 HydrophobicContact CB-CB 4.35Å; I12-L65 HydrophobicContact CB-CD2 3.82Å; I12-L65 HydrophobicContact CG2-CD2 3.52Å; I12-L65 PolarHBondContact N-O 3.11Å; K13-L65 HydrophobicContact CB-CB 4.18Å; K13-L65 WeakPolarHBondContact CB-O 3.48Å; K13-L65 PolarHBondContact N-O 3.45Å; L16-L65 HydrophobicContact CD1-CD1 3.91Å; A56-L65 HydrophobicContact CB-CD1 4.14Å; A56-L65 HydrophobicContact CB-CD2 4.16Å; S61-L65 WeakPolarHBondContact O-CG 3.19Å; S61-L65 PolarHBondContact O-N 3.13Å; T62-L65 PolarHBondContact O-N 3.11Å
66A59.8Low62.6Low39 Ų3968.8 Ų68.832%0.32237%0.374SS..Hα-helixtrans-73.6-19.9177.100000115.1T11 K13 T62 S63 L64T11-A66 VanDerWaalsContact CG2-O 3.28Å; T11-A66 WeakPolarHBondContact CG2-O 3.44Å; K13-A66 HydrophobicContact CB-CB 4.4Å; K13-A66 HydrophobicContact CD-CB 3.77Å; T62-A66 WeakPolarHBondContact O-CB 3.07Å; T62-A66 PolarHBondContact O-N 2.91Å; T62-A66 VanDerWaalsContact O-N 3.1Å; S63-A66 PolarHBondContact O-N 2.77Å; L64-A66 PolarHBondContact O-N 3.37Å
67K65.4Low63.2Low167 Ų16772.8 Ų72.873%0.72639%0.389SS*.Hα-helixtrans-109.9-31.8179.6-68.7178.4-179.2176.40112.8S63 L64S63-K67 PolarHBondContact O-N 3.01Å; L64-K67 PolarHBondContact O-N 2.93Å
68R69.1Low64.1Low54 Ų5471.7 Ų71.720%0.20437%0.374CS..  trans-76.8129.9-173.6-169.8171.7-167.8159.66.3110T11 I12 Y55 L64 S70T11-R68 CarbonylContact C-O 3.52Å; T11-R68 WeakPolarHBondContact CA-O 3.47Å; I12-R68 HydrophobicContact CG1-CB 4.37Å; I12-R68 HydrophobicContact CG1-CG 4.38Å; I12-R68 WeakPolarHBondContact CG1-O 3.33Å; I12-R68 PolarHBondContact N-O 3.42Å; Y55-R68 PolarHBondContact OH-NE 3.49Å; Y55-R68 PolarHBondContact OH-NH1 2.89Å; Y55-R68 VanDerWaalsContact OH-NH1 3.17Å; Y55-R68 PolarHBondContact OH-NH2 3.34Å; L64-R68 WeakPolarHBondContact O-CA 3.39Å; L64-R68 WeakPolarHBondContact O-CB 3.31Å; L64-R68 PolarHBondContact O-N 3.39Å; R68-S70 WeakPolarHBondContact CG-O 3.34Å; R68-S70 PolarHBondContact NE-O 2.96Å
69K74.2Confident65.5Low110 Ų11068.1 Ų68.148%0.47835%0.349SS..  trans-110-16.2-177.5-68.8175.4178.1-175.80113.5V9 L10 T11 K15V9-K69 HydrophobicContact CB-CD 4Å; V9-K69 HydrophobicContact CG1-CB 3.73Å; V9-K69 HydrophobicContact CG1-CD 3.71Å; V9-K69 HydrophobicContact CG1-CG 4.04Å; V9-K69 WeakPolarHBondContact O-CE 3.39Å; L10-K69 WeakPolarHBondContact O-CA 3.22Å; T11-K69 HydrophobicContact CG2-CG 4.11Å; K15-K69 PolarHBondContact NZ-O 3.48Å
70S70.4Confident66.9Low57 Ų5768.3 Ų68.340%0.39935%0.349SS..  trans-126.3136-174.2-177.60000111.3R68 K72R68-S70 WeakPolarHBondContact CG-O 3.34Å; R68-S70 PolarHBondContact NE-O 2.96Å; S70-K72 VanDerWaalsContact C-N 3.34Å; S70-K72 WeakPolarHBondContact OG-CB 3.47Å; S70-K72 WeakPolarHBondContact OG-CG 3.38Å; S70-K72 PolarHBondContact OG-N 3.47Å; S70-K72 VanDerWaalsContact OG-N 3.14Å
71M67.3Low68.3Low65 Ų6569.4 Ų69.432%0.3235%0.347SS..  trans-91.63.5171.2-55.8179.4-55.700112.2I12 I52 Y55I12-M71 HydrophobicContact CD1-CG 3.51Å; I12-M71 HydrophobicContact CD1-SD 4.25Å; I52-M71 HydrophobicContact CG1-CE 4.15Å; I52-M71 HydrophobicContact CG1-SD 3.92Å; Y55-M71 HydrophobicContact CD1-CB 4.28Å; Y55-M71 HydrophobicContact CD1-CG 3.72Å; Y55-M71 HydrophobicContact CD1-SD 4.07Å; Y55-M71 HydrophobicContact CD2-CB 4.21Å; Y55-M71 HydrophobicContact CD2-CG 4.45Å; Y55-M71 HydrophobicContact CE1-CB 4.07Å; Y55-M71 HydrophobicContact CE1-CG 3.76Å; Y55-M71 HydrophobicContact CE2-CB 4Å; Y55-M71 HydrophobicContact CE2-CG 4.48Å; Y55-M71 HydrophobicContact CG-CB 4.33Å; Y55-M71 HydrophobicContact CG-CG 4.06Å; Y55-M71 HydrophobicContact CG-SD 4.08Å
72K65.2Low69.9Low166 Ų16669.3 Ų69.372%0.72235%0.346SS*.PPolyproline II helixtrans-59.5129-178.8-73.1-170.1176.8-167.90110S70S70-K72 VanDerWaalsContact C-N 3.34Å; S70-K72 WeakPolarHBondContact OG-CB 3.47Å; S70-K72 WeakPolarHBondContact OG-CG 3.38Å; S70-K72 PolarHBondContact OG-N 3.47Å; S70-K72 VanDerWaalsContact OG-N 3.14Å
73P62.1Low71.9Confident84 Ų8465.9 Ų65.955%0.54533%0.325SS..PPolyproline II helixtrans-69.1172.5174.828.8-33.2000111.4E77P73-E77 HydrophobicContact CB-CG 3.96Å; P73-E77 WeakPolarHBondContact CB-OE1 3.43Å; P73-E77 WeakPolarHBondContact CG-OE1 3.32Å
74S68.5Low73.4Confident17 Ų1765.4 Ų65.412%0.11932%0.318CS..PPolyproline II helixtrans-54148.9167.1-165.90000109.9Y76 R132S74-Y76 VanDerWaalsContact CB-O 3.3Å; S74-Y76 WeakPolarHBondContact CB-O 2.95Å; S74-Y76 PolarHBondContact O-N 3.41Å; S74-Y76 PolarHBondContact OG-N 3.19Å; S74-Y76 PolarHBondContact OG-O 3.27Å; S74-R132 PolarHBondContact OG-NH1 3.08Å
75M74.3Confident74.3Confident162 Ų16266.8 Ų66.880%0.79832%0.323SS*.SBendtrans-62-31.3165.7-177172.7178.500111.1
76Y82.2Confident75.4Confident60 Ų6066.8 Ų66.824%0.23532%0.322CS..SBendtrans-120.288.5177.6-51.5-70000108.2S74 L79 D80 F110 M115 F119S74-Y76 VanDerWaalsContact CB-O 3.3Å; S74-Y76 WeakPolarHBondContact CB-O 2.95Å; S74-Y76 PolarHBondContact O-N 3.41Å; S74-Y76 PolarHBondContact OG-N 3.19Å; S74-Y76 PolarHBondContact OG-O 3.27Å; Y76-L79 HydrophobicContact CD2-CD2 4.47Å; Y76-D80 WeakPolarHBondContact O-CB 3.29Å; Y76-D80 PolarHBondContact O-N 3.37Å; Y76-D80 VanDerWaalsContact O-N 3.07Å; Y76-F110 AromaticContact CD1-CE2 3.94Å; Y76-F110 HydrophobicContact CD1-CE2 3.94Å; Y76-F110 AromaticContact CE1-CE2 3.64Å; Y76-F110 HydrophobicContact CE1-CE2 3.64Å; Y76-F110 HydrophobicContact CE1-CZ 4.42Å; Y76-F110 HydrophobicContact CE2-CE2 4.24Å; Y76-F110 HydrophobicContact CG-CE2 4.36Å; Y76-F110 AromaticContact CZ-CE2 3.79Å; Y76-M115 HydrophobicContact CD1-SD 3.77Å; Y76-M115 HydrophobicContact CG-SD 4.15Å; Y76-F119 HydrophobicContact CD2-CD2 4.29Å; Y76-F119 HydrophobicContact CD2-CE2 4.07Å; Y76-F119 AromaticContact CE2-CD2 3.89Å; Y76-F119 HydrophobicContact CE2-CD2 3.89Å; Y76-F119 HydrophobicContact CE2-CE2 4Å
77E79.7Confident76.4Confident100 Ų10065.3 Ų65.347%0.46731%0.309SS..Hα-helixtrans-68.8-39.1-176-69.6-172.1-174.900112.7P73 D80 R81P73-E77 HydrophobicContact CB-CG 3.96Å; P73-E77 WeakPolarHBondContact CB-OE1 3.43Å; P73-E77 WeakPolarHBondContact CG-OE1 3.32Å; E77-D80 WeakPolarHBondContact O-CB 3.39Å; E77-D80 PolarHBondContact O-N 2.97Å; E77-R81 PolarHBondContact O-N 3.46Å
78E82Confident76.9Confident69 Ų6959.6 Ų59.632%0.32229%0.286SS..Hα-helixtrans-66.2-44.5178.3-58.5178.1173.600111.1D80 R81 A82 L113 M115 A453E78-D80 VanDerWaalsContact C-N 3.26Å; E78-D80 PolarHBondContact O-N 3.11Å; E78-R81 PolarHBondContact O-N 2.8Å; E78-A82 WeakPolarHBondContact O-CB 3.43Å; E78-A82 PolarHBondContact O-N 3.09Å; E78-L113 HydrophobicContact CB-CD1 4.25Å; E78-L113 HydrophobicContact CB-CD2 4.44Å; E78-M115 HydrophobicContact CB-CE 3.74Å; E78-A453 HydrophobicContact CB-CB 4.46Å; E78-A453 WeakPolarHBondContact CG-O 3.43Å
79L85.8Confident77.2Confident1 Ų157.3 Ų57.31%0.00528%0.277CS..Hα-helixtrans-59.3-40.9173.6174.962.3000111.1Y76 A82 M83 A106 F109 F110 L113 M115 F119 W125Y76-L79 HydrophobicContact CD2-CD2 4.47Å; L79-A82 PolarHBondContact O-N 3.14Å; L79-M83 HydrophobicContact CD1-CG 3.9Å; L79-M83 HydrophobicContact CG-CG 4.38Å; L79-M83 VanDerWaalsContact O-CB 3.23Å; L79-M83 WeakPolarHBondContact O-CB 3.3Å; L79-M83 WeakPolarHBondContact O-CG 3.33Å; L79-M83 PolarHBondContact O-N 3.42Å; L79-A106 WeakPolarHBondContact CD1-O 3.46Å; L79-F109 HydrophobicContact CD1-CB 3.53Å; L79-F110 HydrophobicContact CD1-CB 4.42Å; L79-F110 HydrophobicContact CD2-CB 4.25Å; L79-F110 HydrophobicContact CD2-CD2 4.1Å; L79-L113 HydrophobicContact CB-CD1 4.18Å; L79-L113 HydrophobicContact CD1-CD1 4.49Å; L79-M115 HydrophobicContact CB-CE 3.95Å; L79-M115 HydrophobicContact CB-SD 4.16Å; L79-F119 HydrophobicContact CD2-CD1 4.5Å; L79-F119 HydrophobicContact CD2-CE1 3.89Å; L79-F119 HydrophobicContact CD2-CE2 3.93Å; L79-F119 HydrophobicContact CD2-CZ 3.58Å; L79-W125 HydrophobicContact CD2-CZ2 4.35Å
80D82.8Confident77.4Confident20 Ų2053.9 Ų53.911%0.10726%0.263CS..Hα-helixtrans-63.7-42.4179.2-164.157000112.5Y76 E77 E78 L84 F129 R132 H133Y76-D80 WeakPolarHBondContact O-CB 3.29Å; Y76-D80 PolarHBondContact O-N 3.37Å; Y76-D80 VanDerWaalsContact O-N 3.07Å; E77-D80 WeakPolarHBondContact O-CB 3.39Å; E77-D80 PolarHBondContact O-N 2.97Å; E78-D80 VanDerWaalsContact C-N 3.26Å; E78-D80 PolarHBondContact O-N 3.11Å; D80-L84 WeakPolarHBondContact O-CB 3.39Å; D80-L84 PolarHBondContact O-N 3.25Å; D80-F129 VanDerWaalsContact OD1-CD2 3.25Å; D80-F129 WeakPolarHBondContact OD1-CD2 3.3Å; D80-R132 IonicContact OD1-CZ 2.84Å; D80-R132 IonicContact OD1-NH1 3.61Å; D80-R132 PolarHBondContact OD1-NH1 3.42Å; D80-R132 IonicContact OD1-NH2 2.94Å; D80-R132 PolarHBondContact OD1-NH2 2.95Å; D80-R132 IonicContact OD2-CZ 3.18Å; D80-R132 IonicContact OD2-NH1 3.07Å; D80-R132 PolarHBondContact OD2-NH1 3.38Å; D80-H133 IonicContact OD1-CD2 3.15Å; D80-H133 IonicContact OD1-CE1 3.53Å; D80-H133 IonicContact OD1-NE2 2.86Å; D80-H133 PolarHBondContact OD1-NE2 3.43Å; D80-H133 IonicContact OD2-CE1 2.59Å; D80-H133 PolarHBondContact OD2-CE1 3.21Å; D80-H133 VanDerWaalsContact OD2-CE1 3.29Å; D80-H133 IonicContact OD2-NE2 3.22Å; D80-H133 PolarHBondContact OD2-NE2 3.49Å; D80-H133 VanDerWaalsContact OD2-NE2 3.07Å
81R79.1Confident77.4Confident114 Ų11454.1 Ų54.143%0.4326%0.255SS..Hα-helixtrans-65.5-48.5175.9-76.7-174.9-86.1122.5-0.4111.4E77 E78 M83 L84 E85 A453E77-R81 PolarHBondContact O-N 3.46Å; E78-R81 PolarHBondContact O-N 2.8Å; R81-M83 VanDerWaalsContact C-N 3.34Å; R81-M83 PolarHBondContact O-N 2.94Å; R81-L84 PolarHBondContact O-N 2.96Å; R81-E85 WeakPolarHBondContact O-CB 3.28Å; R81-E85 PolarHBondContact O-N 2.85Å; R81-A453 PolarHBondContact NH1-O 3.39Å; R81-A453 PolarHBondContact NH2-O 3.14Å
82A84.4Confident77.3Confident1 Ų152.5 Ų52.51%0.00825%0.252CS..Hα-helixtrans-58.7-45177.200000112.1E78 L79 E85 W86 F109 L113 I449 A453E78-A82 WeakPolarHBondContact O-CB 3.43Å; E78-A82 PolarHBondContact O-N 3.09Å; L79-A82 PolarHBondContact O-N 3.14Å; A82-E85 PolarHBondContact O-N 3.17Å; A82-W86 WeakPolarHBondContact O-CB 3.37Å; A82-W86 PolarHBondContact O-N 2.89Å; A82-F109 HydrophobicContact CB-CB 4.49Å; A82-F109 HydrophobicContact CB-CD1 4.28Å; A82-F109 HydrophobicContact CB-CD2 4.43Å; A82-F109 HydrophobicContact CB-CG 4.18Å; A82-L113 HydrophobicContact CB-CD1 4.28Å; A82-I449 HydrophobicContact CB-CG2 3.75Å; A82-I449 WeakPolarHBondContact O-CG2 3.48Å; A82-A453 HydrophobicContact CB-CB 3.88Å
83M87.4Confident77.4Confident0 Ų050.1 Ų50.10%024%0.242CC..Hα-helixtrans-66.2-39.7178.4-83.2-62.2-60.800112.9L79 R81 W86 F87 C102 R105 A106 F109 W125 F129L79-M83 HydrophobicContact CD1-CG 3.9Å; L79-M83 HydrophobicContact CG-CG 4.38Å; L79-M83 VanDerWaalsContact O-CB 3.23Å; L79-M83 WeakPolarHBondContact O-CB 3.3Å; L79-M83 WeakPolarHBondContact O-CG 3.33Å; L79-M83 PolarHBondContact O-N 3.42Å; R81-M83 VanDerWaalsContact C-N 3.34Å; R81-M83 PolarHBondContact O-N 2.94Å; M83-W86 HydrophobicContact CE-CE3 4.25Å; M83-W86 HydrophobicContact CE-CZ3 4.36Å; M83-F87 WeakPolarHBondContact O-CB 3.47Å; M83-F87 PolarHBondContact O-N 3.35Å; M83-C102 VanDerWaalsContact CE-O 3.27Å; M83-C102 WeakPolarHBondContact CE-O 3.49Å; M83-C102 WeakPolarHBondContact CE-SG 3.41Å; M83-R105 HydrophobicContact CE-CB 4.33Å; M83-R105 HydrophobicContact SD-CB 4.13Å; M83-R105 HydrophobicContact SD-CG 4Å; M83-A106 HydrophobicContact CE-CB 4.04Å; M83-A106 HydrophobicContact CG-CB 4.02Å; M83-A106 WeakPolarHBondContact SD-CA 3.48Å; M83-A106 HydrophobicContact SD-CB 3.8Å; M83-A106 PolarHBondContact SD-N 2.82Å; M83-A106 VanDerWaalsContact SD-N 3.36Å; M83-F109 HydrophobicContact CG-CD2 4.2Å; M83-F109 HydrophobicContact SD-CD2 3.61Å; M83-F109 HydrophobicContact SD-CE2 4.14Å; M83-W125 HydrophobicContact CE-CH2 4.29Å; M83-W125 HydrophobicContact CG-CH2 4.2Å; M83-F129 HydrophobicContact CB-CD2 4.46Å; M83-F129 HydrophobicContact CB-CE2 3.58Å; M83-F129 HydrophobicContact CB-CZ 3.78Å
84L79.9Confident77.4Confident48 Ų4848 Ų4825%0.25124%0.235SC..Hα-helixtrans-64.5-47.3176.9179.961.9000111.2D80 R81 F87 N88 H133D80-L84 WeakPolarHBondContact O-CB 3.39Å; D80-L84 PolarHBondContact O-N 3.25Å; R81-L84 PolarHBondContact O-N 2.96Å; L84-F87 PolarHBondContact O-N 3.03Å; L84-N88 VanDerWaalsContact O-CG 3.3Å; L84-N88 PolarHBondContact O-N 3.39Å; L84-H133 HydrophobicContact CD1-CB 3.74Å
85E77.9Confident77.3Confident53 Ų5350.9 Ų50.925%0.24825%0.249CC..Hα-helixtrans-58.2-50.9179.1-172.659.6-134.700111.2R81 A82 F87 N88 Q89 L444 I449R81-E85 WeakPolarHBondContact O-CB 3.28Å; R81-E85 PolarHBondContact O-N 2.85Å; A82-E85 PolarHBondContact O-N 3.17Å; E85-F87 VanDerWaalsContact C-N 3.35Å; E85-F87 PolarHBondContact O-N 3.5Å; E85-N88 PolarHBondContact O-N 2.75Å; E85-Q89 WeakPolarHBondContact O-CG 3.32Å; E85-Q89 PolarHBondContact O-N 3.1Å; E85-Q89 VanDerWaalsContact O-N 3.1Å; E85-L444 HydrophobicContact CG-CD1 3.98Å; E85-I449 HydrophobicContact CB-CG2 4.19Å; E85-I449 HydrophobicContact CG-CG1 4.1Å; E85-I449 HydrophobicContact CG-CG2 4.37Å
86W85.6Confident76.9Confident16 Ų1645.8 Ų45.86%0.06123%0.228CC..Hα-helixtrans-61-43.3176.2175.784.7000112.2A82 M83 N88 Q89 Q90 I97 I101 R105 F109 I449A82-W86 WeakPolarHBondContact O-CB 3.37Å; A82-W86 PolarHBondContact O-N 2.89Å; M83-W86 HydrophobicContact CE-CE3 4.25Å; M83-W86 HydrophobicContact CE-CZ3 4.36Å; W86-N88 PolarHBondContact O-N 3.12Å; W86-Q89 PolarHBondContact O-N 3.32Å; W86-Q90 HydrophobicContact CD2-CG 4.05Å; W86-Q90 HydrophobicContact CH2-CG 4.14Å; W86-Q90 HydrophobicContact CZ2-CG 3.65Å; W86-Q90 WeakPolarHBondContact O-CG 3.47Å; W86-Q90 PolarHBondContact O-N 2.99Å; W86-I97 HydrophobicContact CH2-CG2 4.13Å; W86-I97 HydrophobicContact CZ3-CD1 4.34Å; W86-I97 HydrophobicContact CZ3-CG2 4.13Å; W86-I101 HydrophobicContact CH2-CG2 3.96Å; W86-R105 HydrophobicContact CD2-CG 3.61Å; W86-R105 HydrophobicContact CE3-CB 4.32Å; W86-R105 HydrophobicContact CE3-CG 3.72Å; W86-R105 HydrophobicContact CG-CG 4.24Å; W86-R105 HydrophobicContact CH2-CB 3.97Å; W86-R105 HydrophobicContact CH2-CG 3.9Å; W86-R105 HydrophobicContact CZ2-CB 4.24Å; W86-R105 HydrophobicContact CZ2-CG 3.77Å; W86-R105 HydrophobicContact CZ3-CB 4Å; W86-R105 HydrophobicContact CZ3-CG 3.87Å; W86-R105 VanDerWaalsContact NE1-NE 3.13Å; W86-F109 HydrophobicContact CB-CE2 3.63Å; W86-F109 HydrophobicContact CB-CZ 3.91Å; W86-F109 HydrophobicContact CD2-CE2 4.44Å; W86-F109 AromaticContact CG-CE2 3.8Å; W86-F109 HydrophobicContact CG-CE2 3.8Å; W86-F109 HydrophobicContact CG-CZ 4.11Å; W86-I449 HydrophobicContact CB-CD1 3.99Å
87F81.9Confident76.5Confident8 Ų844.7 Ų44.74%0.03523%0.226CC..Hα-helixtrans-63.2-42-178.9-174.7-86.6000111.8M83 L84 E85 Q90 R91 I97 I135M83-F87 WeakPolarHBondContact O-CB 3.47Å; M83-F87 PolarHBondContact O-N 3.35Å; L84-F87 PolarHBondContact O-N 3.03Å; E85-F87 VanDerWaalsContact C-N 3.35Å; E85-F87 PolarHBondContact O-N 3.5Å; F87-Q90 PolarHBondContact O-N 2.7Å; F87-R91 HydrophobicContact CD1-CG 4.26Å; F87-R91 VanDerWaalsContact CE1-CD 3.45Å; F87-R91 HydrophobicContact CE1-CG 3.8Å; F87-R91 HydrophobicContact CZ-CG 4.29Å; F87-R91 PolarHBondContact O-N 3.11Å; F87-I97 HydrophobicContact CD2-CB 4.38Å; F87-I97 HydrophobicContact CD2-CD1 3.45Å; F87-I97 VanDerWaalsContact CD2-CD1 3.45Å; F87-I97 HydrophobicContact CD2-CG2 4.13Å; F87-I97 HydrophobicContact CE2-CB 3.87Å; F87-I97 HydrophobicContact CE2-CD1 3.56Å; F87-I97 HydrophobicContact CE2-CG1 4.33Å; F87-I97 HydrophobicContact CE2-CG2 3.9Å; F87-I97 HydrophobicContact CG-CD1 3.96Å; F87-I97 HydrophobicContact CZ-CD1 4.12Å; F87-I135 HydrophobicContact CD1-CD1 3.62Å; F87-I135 HydrophobicContact CD1-CG1 4.08Å; F87-I135 HydrophobicContact CD2-CD1 4.19Å; F87-I135 HydrophobicContact CE1-CB 4.26Å; F87-I135 HydrophobicContact CE1-CD1 3.51Å; F87-I135 HydrophobicContact CE1-CG1 3.59Å; F87-I135 HydrophobicContact CE1-CG2 3.67Å; F87-I135 HydrophobicContact CE2-CD1 4.1Å; F87-I135 HydrophobicContact CE2-CG2 4.08Å; F87-I135 HydrophobicContact CG-CD1 3.98Å; F87-I135 HydrophobicContact CZ-CB 4.27Å; F87-I135 HydrophobicContact CZ-CD1 3.81Å; F87-I135 HydrophobicContact CZ-CG1 4.03Å; F87-I135 HydrophobicContact CZ-CG2 3.26Å
88N74.6Confident76.4Confident46 Ų4642.6 Ų42.625%0.24622%0.223CC..Hα-helixtrans-66-42.9177.7-69.4-17000111.6L84 E85 W86 Q90 R91 A92 P295L84-N88 VanDerWaalsContact O-CG 3.3Å; L84-N88 PolarHBondContact O-N 3.39Å; E85-N88 PolarHBondContact O-N 2.75Å; W86-N88 PolarHBondContact O-N 3.12Å; N88-Q90 VanDerWaalsContact C-N 3.32Å; N88-Q90 PolarHBondContact O-N 3.41Å; N88-R91 WeakPolarHBondContact O-CB 3.13Å; N88-R91 PolarHBondContact O-N 3.12Å; N88-A92 PolarHBondContact O-N 3.41Å; N88-P295 HydrophobicContact CB-CB 4.02Å
89Q76.4Confident76.2Confident6 Ų640.2 Ų40.23%0.02822%0.216CC..Hα-helixtrans-61.2-38.5175.5-73.6-172.675.700113.1E85 W86 K93 L444 I449E85-Q89 WeakPolarHBondContact O-CG 3.32Å; E85-Q89 PolarHBondContact O-N 3.1Å; E85-Q89 VanDerWaalsContact O-N 3.1Å; W86-Q89 PolarHBondContact O-N 3.32Å; Q89-K93 WeakPolarHBondContact O-CG 3.45Å; Q89-K93 PolarHBondContact O-N 3.07Å; Q89-L444 PolarHBondContact NE2-O 3.32Å; Q89-L444 PolarHBondContact OE1-O 3.15Å; Q89-I449 VanDerWaalsContact NE2-CD1 3.34Å
90Q77.1Confident76Confident39 Ų3944.9 Ų44.918%0.18225%0.246CC..Hα-helixtrans-69.9-36.8175.6-69.8-56-39.300112.1W86 F87 N88 K93 N95 I97W86-Q90 HydrophobicContact CD2-CG 4.05Å; W86-Q90 HydrophobicContact CH2-CG 4.14Å; W86-Q90 HydrophobicContact CZ2-CG 3.65Å; W86-Q90 WeakPolarHBondContact O-CG 3.47Å; W86-Q90 PolarHBondContact O-N 2.99Å; F87-Q90 PolarHBondContact O-N 2.7Å; N88-Q90 VanDerWaalsContact C-N 3.32Å; N88-Q90 PolarHBondContact O-N 3.41Å; Q90-K93 PolarHBondContact O-N 2.74Å; Q90-N95 WeakPolarHBondContact O-CB 3.31Å; Q90-N95 PolarHBondContact O-N 3.21Å; Q90-N95 VanDerWaalsContact O-N 3.1Å; Q90-N95 PolarHBondContact OE1-ND2 3.2Å; Q90-I97 HydrophobicContact CB-CD1 3.34Å; Q90-I97 HydrophobicContact CB-CG1 3.95Å; Q90-I97 HydrophobicContact CG-CD1 4.21Å
91R70.4Confident76.1Confident62 Ų6248 Ų4823%0.23426%0.262CS..Hα-helixtrans-64.4-42.9173.6-90-162.6158-175.3-8.1112.9F87 N88 K93 G94 R136F87-R91 HydrophobicContact CD1-CG 4.26Å; F87-R91 VanDerWaalsContact CE1-CD 3.45Å; F87-R91 HydrophobicContact CE1-CG 3.8Å; F87-R91 HydrophobicContact CZ-CG 4.29Å; F87-R91 PolarHBondContact O-N 3.11Å; N88-R91 WeakPolarHBondContact O-CB 3.13Å; N88-R91 PolarHBondContact O-N 3.12Å; R91-K93 PolarHBondContact O-N 2.96Å; R91-G94 WeakPolarHBondContact O-CA 3.5Å; R91-G94 PolarHBondContact O-N 2.99Å; R91-R136 PolarHBondContact NH2-O 3.14Å
92A66Low76.4Confident30 Ų3042.6 Ų42.625%0.24824%0.242CC..Hα-helixtrans-62.5-28.7178.100000112.1N88 G94 Y441N88-A92 PolarHBondContact O-N 3.41Å; A92-G94 PolarHBondContact O-N 2.92Å; A92-Y441 VanDerWaalsContact CB-OH 3.24Å; A92-Y441 WeakPolarHBondContact CB-OH 3.4Å
93K67.2Low76.4Confident116 Ų11643.4 Ų43.450%0.50425%0.249SC..THydrogen-bonded Turntrans-75.5-2.5171.9-68.3174.5-177.3179.60114.3Q89 Q90 R91 N95Q89-K93 WeakPolarHBondContact O-CG 3.45Å; Q89-K93 PolarHBondContact O-N 3.07Å; Q90-K93 PolarHBondContact O-N 2.74Å; R91-K93 PolarHBondContact O-N 2.96Å; K93-N95 PolarHBondContact O-N 3.27Å
94G62.6Low76.4Confident39 Ų3950.9 Ų50.940%0.40228%0.281SS..THydrogen-bonded Turntrans73.310.1-173.700000114.2R91 A92 P96R91-G94 WeakPolarHBondContact O-CA 3.5Å; R91-G94 PolarHBondContact O-N 2.99Å; A92-G94 PolarHBondContact O-N 2.92Å; G94-P96 WeakPolarHBondContact O-CD 3.38Å
95N65.3Low76.9Confident78 Ų7851.1 Ų51.142%0.41728%0.279SS..  trans-77.2124.4-177-73-24.2000111Q90 K93 I97Q90-N95 WeakPolarHBondContact O-CB 3.31Å; Q90-N95 PolarHBondContact O-N 3.21Å; Q90-N95 VanDerWaalsContact O-N 3.1Å; Q90-N95 PolarHBondContact OE1-ND2 3.2Å; K93-N95 PolarHBondContact O-N 3.27Å; N95-I97 PolarHBondContact O-N 3.24Å
96P65.6Low77.5Confident56 Ų5648.6 Ų48.636%0.36427%0.267SS..  trans-74.1119.3175.728.7-33.3000111.1G94 I140G94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-I140 HydrophobicContact CB-CD1 3.39Å; P96-I140 HydrophobicContact CG-CD1 4.47Å
97I74Confident77.6Confident37 Ų3751.5 Ų51.519%0.1928%0.281CS..  trans-99.7109.5-178.1-54165.3000109.3W86 F87 Q90 N95 I101 C102W86-I97 HydrophobicContact CH2-CG2 4.13Å; W86-I97 HydrophobicContact CZ3-CD1 4.34Å; W86-I97 HydrophobicContact CZ3-CG2 4.13Å; F87-I97 HydrophobicContact CD2-CB 4.38Å; F87-I97 HydrophobicContact CD2-CD1 3.45Å; F87-I97 VanDerWaalsContact CD2-CD1 3.45Å; F87-I97 HydrophobicContact CD2-CG2 4.13Å; F87-I97 HydrophobicContact CE2-CB 3.87Å; F87-I97 HydrophobicContact CE2-CD1 3.56Å; F87-I97 HydrophobicContact CE2-CG1 4.33Å; F87-I97 HydrophobicContact CE2-CG2 3.9Å; F87-I97 HydrophobicContact CG-CD1 3.96Å; F87-I97 HydrophobicContact CZ-CD1 4.12Å; Q90-I97 HydrophobicContact CB-CD1 3.34Å; Q90-I97 HydrophobicContact CB-CG1 3.95Å; Q90-I97 HydrophobicContact CG-CD1 4.21Å; N95-I97 PolarHBondContact O-N 3.24Å; I97-I101 HydrophobicContact CG2-CB 4.39Å; I97-I101 HydrophobicContact CG2-CG2 4.15Å; I97-C102 HydrophobicContact CG2-CB 4.08Å
98S77.9Confident78Confident56 Ų5655.4 Ų55.439%0.39230%0.298SS..  trans-75.6158.9174.574.90000111.5I101 C102S98-I101 PolarHBondContact O-N 3.39Å; S98-I101 WeakPolarHBondContact OG-CD1 3.45Å; S98-I101 VanDerWaalsContact OG-CG1 3.27Å; S98-I101 WeakPolarHBondContact OG-CG1 3.44Å; S98-I101 PolarHBondContact OG-N 3.47Å; S98-C102 PolarHBondContact O-N 2.96Å
99G78.9Confident78.7Confident18 Ų1853.2 Ų53.219%0.18629%0.287CS..Hα-helixtrans-54-45.9175.700000114.1I101 C102 A103G99-I101 PolarHBondContact O-N 3.19Å; G99-C102 WeakPolarHBondContact O-CB 3.23Å; G99-C102 PolarHBondContact O-N 3.11Å; G99-A103 WeakPolarHBondContact O-CB 3.49Å; G99-A103 PolarHBondContact O-N 3.5Å
100P81.5Confident79.3Confident99 Ų9953 Ų5364%0.64329%0.286SS*.Hα-helixtrans-61.1-39.2175.3-27.436.1000114.3C102 A103 K104P100-C102 VanDerWaalsContact C-N 3.34Å; P100-A103 PolarHBondContact O-N 2.76Å; P100-K104 WeakPolarHBondContact O-CB 3.47Å; P100-K104 PolarHBondContact O-N 3.04Å
101I83.8Confident79.8Confident85 Ų8556.5 Ų56.544%0.43630%0.298SS..Hα-helixtrans-63.3-45.3175.9-67.6170.1000109.7W86 I97 S98 G99 A103 K104 R105W86-I101 HydrophobicContact CH2-CG2 3.96Å; I97-I101 HydrophobicContact CG2-CB 4.39Å; I97-I101 HydrophobicContact CG2-CG2 4.15Å; S98-I101 PolarHBondContact O-N 3.39Å; S98-I101 WeakPolarHBondContact OG-CD1 3.45Å; S98-I101 VanDerWaalsContact OG-CG1 3.27Å; S98-I101 WeakPolarHBondContact OG-CG1 3.44Å; S98-I101 PolarHBondContact OG-N 3.47Å; G99-I101 PolarHBondContact O-N 3.19Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 2.81Å; I101-K104 PolarHBondContact O-N 2.78Å; I101-R105 WeakPolarHBondContact O-CB 3.19Å; I101-R105 PolarHBondContact O-N 3.26Å
102C85.6Confident80.6Confident2 Ų255.5 Ų55.51%0.01430%0.303CS..Hα-helixtrans-61.7-41.1177.2-169.70000111.9M83 I97 S98 G99 P100 R105 A106 L126M83-C102 VanDerWaalsContact CE-O 3.27Å; M83-C102 WeakPolarHBondContact CE-O 3.49Å; M83-C102 WeakPolarHBondContact CE-SG 3.41Å; I97-C102 HydrophobicContact CG2-CB 4.08Å; S98-C102 PolarHBondContact O-N 2.96Å; G99-C102 WeakPolarHBondContact O-CB 3.23Å; G99-C102 PolarHBondContact O-N 3.11Å; P100-C102 VanDerWaalsContact C-N 3.34Å; C102-R105 PolarHBondContact O-N 3.35Å; C102-A106 WeakPolarHBondContact O-CB 3.22Å; C102-A106 PolarHBondContact O-N 3Å; C102-L126 HydrophobicContact CB-CD1 3.79Å; C102-L126 WeakPolarHBondContact SG-CD1 3.35Å
103A85.7Confident81.6Confident17 Ų1754.5 Ų54.514%0.1429%0.294CS..Hα-helixtrans-63.3-52.1176.400000111.8G99 P100 I101 R105 A106 E107 P121G99-A103 WeakPolarHBondContact O-CB 3.49Å; G99-A103 PolarHBondContact O-N 3.5Å; P100-A103 PolarHBondContact O-N 2.76Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 2.81Å; A103-R105 PolarHBondContact O-N 2.85Å; A103-A106 WeakPolarHBondContact O-CB 3.2Å; A103-A106 PolarHBondContact O-N 3.01Å; A103-A106 VanDerWaalsContact O-N 3.09Å; A103-E107 PolarHBondContact O-N 3.4Å; A103-P121 HydrophobicContact CB-CB 3.9Å; A103-P121 HydrophobicContact CB-CG 3.81Å; A103-P121 WeakPolarHBondContact O-CG 3.48Å
104K86.6Confident82.3Confident158 Ų15851.9 Ų51.969%0.68730%0.299SS*.Hα-helixtrans-59.1-35.7178.4-171.1170.3-174.3174.70112.2P100 I101 F108P100-K104 WeakPolarHBondContact O-CB 3.47Å; P100-K104 PolarHBondContact O-N 3.04Å; I101-K104 PolarHBondContact O-N 2.78Å; K104-F108 PolarHBondContact O-N 2.79Å; K104-F108 VanDerWaalsContact O-N 3.11Å
105R90.1Very high83.4Confident52 Ų5251.6 Ų51.620%0.19629%0.288CS..Hα-helixtrans-72.2-36.3177.2-167.555.4151.8-170.3-17.8113.2M83 W86 I101 C102 A103 E107 F108 F109 D446M83-R105 HydrophobicContact CE-CB 4.33Å; M83-R105 HydrophobicContact SD-CB 4.13Å; M83-R105 HydrophobicContact SD-CG 4Å; W86-R105 HydrophobicContact CD2-CG 3.61Å; W86-R105 HydrophobicContact CE3-CB 4.32Å; W86-R105 HydrophobicContact CE3-CG 3.72Å; W86-R105 HydrophobicContact CG-CG 4.24Å; W86-R105 HydrophobicContact CH2-CB 3.97Å; W86-R105 HydrophobicContact CH2-CG 3.9Å; W86-R105 HydrophobicContact CZ2-CB 4.24Å; W86-R105 HydrophobicContact CZ2-CG 3.77Å; W86-R105 HydrophobicContact CZ3-CB 4Å; W86-R105 HydrophobicContact CZ3-CG 3.87Å; W86-R105 VanDerWaalsContact NE1-NE 3.13Å; I101-R105 WeakPolarHBondContact O-CB 3.19Å; I101-R105 PolarHBondContact O-N 3.26Å; C102-R105 PolarHBondContact O-N 3.35Å; A103-R105 PolarHBondContact O-N 2.85Å; R105-E107 VanDerWaalsContact C-N 3.31Å; R105-F108 WeakPolarHBondContact O-CB 3.26Å; R105-F108 PolarHBondContact O-N 2.93Å; R105-F109 HydrophobicContact CG-CD2 3.98Å; R105-F109 HydrophobicContact CG-CE2 3.73Å; R105-F109 WeakPolarHBondContact O-CD2 3.44Å; R105-F109 PolarHBondContact O-N 3.04Å; R105-D446 VanDerWaalsContact CZ-CG 3.5Å; R105-D446 IonicContact CZ-OD1 3.95Å; R105-D446 IonicContact CZ-OD2 3.06Å; R105-D446 IonicContact NH1-OD1 2.63Å; R105-D446 IonicContact NH1-OD2 2.86Å; R105-D446 PolarHBondContact NH1-OD2 2.81Å; R105-D446 IonicContact NH2-OD1 3.37Å; R105-D446 PolarHBondContact NH2-OD1 3.19Å; R105-D446 IonicContact NH2-OD2 3.72Å; R105-D446 PolarHBondContact NH2-OD2 3.36Å
106A89.7Confident84.1Confident0 Ų055.4 Ų55.40%031%0.308CS..Hα-helixtrans-63.9-39.5174.200000111.6L79 M83 C102 A103 F109 F110 F119 P121 W125L79-A106 WeakPolarHBondContact CD1-O 3.46Å; M83-A106 HydrophobicContact CE-CB 4.04Å; M83-A106 HydrophobicContact CG-CB 4.02Å; M83-A106 WeakPolarHBondContact SD-CA 3.48Å; M83-A106 HydrophobicContact SD-CB 3.8Å; M83-A106 PolarHBondContact SD-N 2.82Å; M83-A106 VanDerWaalsContact SD-N 3.36Å; C102-A106 WeakPolarHBondContact O-CB 3.22Å; C102-A106 PolarHBondContact O-N 3Å; A103-A106 WeakPolarHBondContact O-CB 3.2Å; A103-A106 PolarHBondContact O-N 3.01Å; A103-A106 VanDerWaalsContact O-N 3.09Å; A106-F109 PolarHBondContact O-N 3.01Å; A106-F110 WeakPolarHBondContact O-CB 3.34Å; A106-F110 PolarHBondContact O-N 3.22Å; A106-F119 HydrophobicContact CB-CE1 3.86Å; A106-F119 HydrophobicContact CB-CZ 4.36Å; A106-P121 HydrophobicContact CB-CB 4.43Å; A106-W125 HydrophobicContact CB-CE3 4.45Å; A106-W125 HydrophobicContact CB-CH2 3.3Å; A106-W125 HydrophobicContact CB-CZ2 3.94Å; A106-W125 HydrophobicContact CB-CZ3 3.59Å
107E89.6Confident84.8Confident77 Ų7755.1 Ų55.136%0.3632%0.315SS..Hα-helixtrans-61.2-46.9173.2-175.7177.7-158.900112A103 R105 F109 F110 Y111 P121A103-E107 PolarHBondContact O-N 3.4Å; R105-E107 VanDerWaalsContact C-N 3.31Å; E107-F109 PolarHBondContact O-N 3.28Å; E107-F110 WeakPolarHBondContact O-CB 3.4Å; E107-F110 PolarHBondContact O-N 2.92Å; E107-Y111 HydrophobicContact CG-CD2 4.01Å; E107-Y111 HydrophobicContact CG-CE2 3.5Å; E107-Y111 VanDerWaalsContact CG-CE2 3.5Å; E107-Y111 WeakPolarHBondContact O-CD2 3.48Å; E107-Y111 PolarHBondContact O-N 3.32Å; E107-P121 HydrophobicContact CB-CG 4.38Å
108F89.4Confident85Confident91 Ų9160.9 Ų60.940%0.39935%0.347SS..Hα-helixtrans-55.1-50.6174.5170-94.1000112.3K104 R105 F110 Y111 A112 D446K104-F108 PolarHBondContact O-N 2.79Å; K104-F108 VanDerWaalsContact O-N 3.11Å; R105-F108 WeakPolarHBondContact O-CB 3.26Å; R105-F108 PolarHBondContact O-N 2.93Å; F108-F110 VanDerWaalsContact C-N 3.32Å; F108-F110 PolarHBondContact O-N 2.93Å; F108-Y111 PolarHBondContact O-N 3.22Å; F108-A112 HydrophobicContact CE1-CB 4.46Å; F108-A112 HydrophobicContact CZ-CB 4.49Å; F108-A112 VanDerWaalsContact O-CB 3.26Å; F108-A112 WeakPolarHBondContact O-CB 3.5Å; F108-A112 PolarHBondContact O-N 3.45Å; F108-D446 HydrophobicContact CE1-CB 4.09Å; F108-D446 HydrophobicContact CZ-CB 4.42Å
109F89.3Confident85.2Confident0 Ų058.8 Ų58.80%033%0.331CS..Hα-helixtrans-67.5-32.4-179.7-77.3-54000112.9L79 A82 M83 W86 R105 A106 E107 A112 L113 D446 I449 I450L79-F109 HydrophobicContact CD1-CB 3.53Å; A82-F109 HydrophobicContact CB-CB 4.49Å; A82-F109 HydrophobicContact CB-CD1 4.28Å; A82-F109 HydrophobicContact CB-CD2 4.43Å; A82-F109 HydrophobicContact CB-CG 4.18Å; M83-F109 HydrophobicContact CG-CD2 4.2Å; M83-F109 HydrophobicContact SD-CD2 3.61Å; M83-F109 HydrophobicContact SD-CE2 4.14Å; W86-F109 HydrophobicContact CB-CE2 3.63Å; W86-F109 HydrophobicContact CB-CZ 3.91Å; W86-F109 HydrophobicContact CD2-CE2 4.44Å; W86-F109 AromaticContact CG-CE2 3.8Å; W86-F109 HydrophobicContact CG-CE2 3.8Å; W86-F109 HydrophobicContact CG-CZ 4.11Å; R105-F109 HydrophobicContact CG-CD2 3.98Å; R105-F109 HydrophobicContact CG-CE2 3.73Å; R105-F109 WeakPolarHBondContact O-CD2 3.44Å; R105-F109 PolarHBondContact O-N 3.04Å; A106-F109 PolarHBondContact O-N 3.01Å; E107-F109 PolarHBondContact O-N 3.28Å; F109-A112 PolarHBondContact O-N 2.81Å; F109-L113 HydrophobicContact CB-CD1 4.45Å; F109-L113 VanDerWaalsContact O-CB 3.25Å; F109-L113 WeakPolarHBondContact O-CB 3.3Å; F109-L113 WeakPolarHBondContact O-CD1 3.4Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 3.48Å; F109-D446 HydrophobicContact CE1-CB 4.32Å; F109-I449 HydrophobicContact CE1-CB 4.38Å; F109-I449 HydrophobicContact CE1-CG2 4.1Å; F109-I449 HydrophobicContact CZ-CB 4.49Å; F109-I449 HydrophobicContact CZ-CD1 4.27Å; F109-I449 HydrophobicContact CZ-CG2 4.06Å; F109-I450 HydrophobicContact CD1-CD1 4.09Å; F109-I450 HydrophobicContact CD1-CG1 3.67Å; F109-I450 HydrophobicContact CE1-CD1 4.25Å; F109-I450 HydrophobicContact CE1-CG1 3.9Å
110F89.2Confident85.3Confident1 Ų164.3 Ų64.30%0.00436%0.356CS..Hα-helixtrans-59.1-50.1177.2-179.4-87.7000111.3Y76 L79 A106 E107 F108 M115 G117 F119Y76-F110 AromaticContact CD1-CE2 3.94Å; Y76-F110 HydrophobicContact CD1-CE2 3.94Å; Y76-F110 AromaticContact CE1-CE2 3.64Å; Y76-F110 HydrophobicContact CE1-CE2 3.64Å; Y76-F110 HydrophobicContact CE1-CZ 4.42Å; Y76-F110 HydrophobicContact CE2-CE2 4.24Å; Y76-F110 HydrophobicContact CG-CE2 4.36Å; Y76-F110 AromaticContact CZ-CE2 3.79Å; L79-F110 HydrophobicContact CD1-CB 4.42Å; L79-F110 HydrophobicContact CD2-CB 4.25Å; L79-F110 HydrophobicContact CD2-CD2 4.1Å; A106-F110 WeakPolarHBondContact O-CB 3.34Å; A106-F110 PolarHBondContact O-N 3.22Å; E107-F110 WeakPolarHBondContact O-CB 3.4Å; E107-F110 PolarHBondContact O-N 2.92Å; F108-F110 VanDerWaalsContact C-N 3.32Å; F108-F110 PolarHBondContact O-N 2.93Å; F110-M115 HydrophobicContact CD1-CB 4.14Å; F110-M115 HydrophobicContact CD2-CB 3.82Å; F110-M115 HydrophobicContact CD2-CG 4.26Å; F110-M115 HydrophobicContact CD2-SD 3.57Å; F110-M115 VanDerWaalsContact CD2-SD 3.57Å; F110-M115 HydrophobicContact CE1-CB 3.8Å; F110-M115 WeakPolarHBondContact CE1-O 3.22Å; F110-M115 HydrophobicContact CE2-CB 3.47Å; F110-M115 VanDerWaalsContact CE2-CB 3.47Å; F110-M115 HydrophobicContact CE2-CG 4.21Å; F110-M115 HydrophobicContact CE2-SD 3.75Å; F110-M115 HydrophobicContact CG-CB 4.15Å; F110-M115 HydrophobicContact CG-SD 4.39Å; F110-M115 HydrophobicContact CZ-CB 3.46Å; F110-M115 VanDerWaalsContact CZ-CB 3.46Å; F110-M115 WeakPolarHBondContact O-CB 3.28Å; F110-M115 PolarHBondContact O-N 3.26Å; F110-G117 VanDerWaalsContact CE1-O 3.31Å; F110-G117 WeakPolarHBondContact CE1-O 3.4Å; F110-F119 HydrophobicContact CB-CB 4Å; F110-F119 HydrophobicContact CB-CD1 3.7Å; F110-F119 HydrophobicContact CB-CE1 4.39Å; F110-F119 HydrophobicContact CB-CG 3.95Å; F110-F119 HydrophobicContact CD1-CB 3.29Å; F110-F119 HydrophobicContact CD1-CG 4.13Å; F110-F119 HydrophobicContact CD2-CB 3.45Å; F110-F119 VanDerWaalsContact CD2-CB 3.45Å; F110-F119 HydrophobicContact CD2-CD1 4.1Å; F110-F119 AromaticContact CD2-CD2 3.75Å; F110-F119 HydrophobicContact CD2-CD2 3.75Å; F110-F119 AromaticContact CD2-CG 3.49Å; F110-F119 HydrophobicContact CD2-CG 3.49Å; F110-F119 VanDerWaalsContact CD2-CG 3.49Å; F110-F119 HydrophobicContact CE1-CB 3.5Å; F110-F119 VanDerWaalsContact CE1-CB 3.5Å; F110-F119 HydrophobicContact CE2-CB 3.64Å; F110-F119 HydrophobicContact CE2-CD2 4Å; F110-F119 AromaticContact CE2-CG 3.99Å; F110-F119 HydrophobicContact CE2-CG 3.99Å; F110-F119 HydrophobicContact CG-CB 3.27Å; F110-F119 AromaticContact CG-CD1 3.88Å; F110-F119 HydrophobicContact CG-CD1 3.88Å; F110-F119 HydrophobicContact CG-CD2 4.3Å; F110-F119 AromaticContact CG-CG 3.57Å; F110-F119 HydrophobicContact CG-CG 3.57Å; F110-F119 HydrophobicContact CZ-CB 3.67Å; F110-F119 HydrophobicContact CZ-CG 4.5Å
111Y88.3Confident85.2Confident112 Ų11260.4 Ų60.444%0.43933%0.33SS..Hα-helixtrans-70.2-38.7177.6-64.6-60.3000112.3E107 F108 L113 G114E107-Y111 HydrophobicContact CG-CD2 4.01Å; E107-Y111 HydrophobicContact CG-CE2 3.5Å; E107-Y111 VanDerWaalsContact CG-CE2 3.5Å; E107-Y111 WeakPolarHBondContact O-CD2 3.48Å; E107-Y111 PolarHBondContact O-N 3.32Å; F108-Y111 PolarHBondContact O-N 3.22Å; Y111-L113 VanDerWaalsContact C-N 3.28Å; Y111-L113 PolarHBondContact O-N 3.05Å; Y111-G114 PolarHBondContact O-N 3.38Å
112A86.4Confident85.1Confident42 Ų4259.1 Ų59.135%0.34733%0.329SS..Hα-helixtrans-69.7-25.3-17900000113.3F108 F109 G114 I450F108-A112 HydrophobicContact CE1-CB 4.46Å; F108-A112 HydrophobicContact CZ-CB 4.49Å; F108-A112 VanDerWaalsContact O-CB 3.26Å; F108-A112 WeakPolarHBondContact O-CB 3.5Å; F108-A112 PolarHBondContact O-N 3.45Å; F109-A112 PolarHBondContact O-N 2.81Å; A112-G114 PolarHBondContact O-N 3Å; A112-I450 HydrophobicContact CB-CD1 3.42Å; A112-I450 VanDerWaalsContact CB-CD1 3.42Å; A112-I450 HydrophobicContact CB-CG1 4.27Å
113L86.6Confident84.9Confident9 Ų962.9 Ų62.95%0.04736%0.36CS..THydrogen-bonded Turntrans-78-4.1171.2-73.4163.2000113E78 L79 A82 F109 Y111 M115 I450 A453 Q454E78-L113 HydrophobicContact CB-CD1 4.25Å; E78-L113 HydrophobicContact CB-CD2 4.44Å; L79-L113 HydrophobicContact CB-CD1 4.18Å; L79-L113 HydrophobicContact CD1-CD1 4.49Å; A82-L113 HydrophobicContact CB-CD1 4.28Å; F109-L113 HydrophobicContact CB-CD1 4.45Å; F109-L113 VanDerWaalsContact O-CB 3.25Å; F109-L113 WeakPolarHBondContact O-CB 3.3Å; F109-L113 WeakPolarHBondContact O-CD1 3.4Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 3.48Å; Y111-L113 VanDerWaalsContact C-N 3.28Å; Y111-L113 PolarHBondContact O-N 3.05Å; L113-M115 HydrophobicContact CB-CE 4.03Å; L113-M115 HydrophobicContact CB-CG 4.1Å; L113-M115 HydrophobicContact CD1-CE 3.8Å; L113-M115 HydrophobicContact CG-CE 4.49Å; L113-I450 HydrophobicContact CD2-CB 4.34Å; L113-I450 HydrophobicContact CD2-CG2 3.75Å; L113-I450 HydrophobicContact CG-CG2 4.3Å; L113-A453 HydrophobicContact CD2-CB 4.1Å; L113-Q454 HydrophobicContact CD2-CG 3.61Å; L113-Q454 PolarHBondContact O-NE2 3.09Å; L113-Q454 VanDerWaalsContact O-NE2 3.1Å
114G82.8Confident84.7Confident60 Ų6063.9 Ų63.962%0.61937%0.372SS*.THydrogen-bonded Turntrans70.929.4-179.400000113.5Y111 A112Y111-G114 PolarHBondContact O-N 3.38Å; A112-G114 PolarHBondContact O-N 3Å
115M85.4Confident84.7Confident34 Ų3457.9 Ų57.917%0.16735%0.345CS..  trans-77.1137179.1-62.7-174.417600111.4Y76 E78 L79 F110 L113Y76-M115 HydrophobicContact CD1-SD 3.77Å; Y76-M115 HydrophobicContact CG-SD 4.15Å; E78-M115 HydrophobicContact CB-CE 3.74Å; L79-M115 HydrophobicContact CB-CE 3.95Å; L79-M115 HydrophobicContact CB-SD 4.16Å; F110-M115 HydrophobicContact CD1-CB 4.14Å; F110-M115 HydrophobicContact CD2-CB 3.82Å; F110-M115 HydrophobicContact CD2-CG 4.26Å; F110-M115 HydrophobicContact CD2-SD 3.57Å; F110-M115 VanDerWaalsContact CD2-SD 3.57Å; F110-M115 HydrophobicContact CE1-CB 3.8Å; F110-M115 WeakPolarHBondContact CE1-O 3.22Å; F110-M115 HydrophobicContact CE2-CB 3.47Å; F110-M115 VanDerWaalsContact CE2-CB 3.47Å; F110-M115 HydrophobicContact CE2-CG 4.21Å; F110-M115 HydrophobicContact CE2-SD 3.75Å; F110-M115 HydrophobicContact CG-CB 4.15Å; F110-M115 HydrophobicContact CG-SD 4.39Å; F110-M115 HydrophobicContact CZ-CB 3.46Å; F110-M115 VanDerWaalsContact CZ-CB 3.46Å; F110-M115 WeakPolarHBondContact O-CB 3.28Å; F110-M115 PolarHBondContact O-N 3.26Å; L113-M115 HydrophobicContact CB-CE 4.03Å; L113-M115 HydrophobicContact CB-CG 4.1Å; L113-M115 HydrophobicContact CD1-CE 3.8Å; L113-M115 HydrophobicContact CG-CE 4.49Å
116D79.6Confident84.3Confident157 Ų15756.2 Ų56.284%0.8434%0.34SS*.  trans-79.8137-179.2-68.4-41.1000112.9
117G80.9Confident83.9Confident50 Ų5059.6 Ų59.652%0.51536%0.361SS..SBendtrans107.9-179.917200000114.8F110F110-G117 VanDerWaalsContact CE1-O 3.31Å; F110-G117 WeakPolarHBondContact CE1-O 3.4Å
118D77.9Confident83.4Confident159 Ų15964.3 Ų64.385%0.8538%0.375SS*.  trans-89.1109.6177.4-68.3-23.2000110.1
119F81.9Confident82.9Confident12 Ų1260 Ų605%0.05336%0.356CS..  trans-93.8106174.6-179.3-106.5000111.3Y76 L79 A106 F110 P121 W125Y76-F119 HydrophobicContact CD2-CD2 4.29Å; Y76-F119 HydrophobicContact CD2-CE2 4.07Å; Y76-F119 AromaticContact CE2-CD2 3.89Å; Y76-F119 HydrophobicContact CE2-CD2 3.89Å; Y76-F119 HydrophobicContact CE2-CE2 4Å; L79-F119 HydrophobicContact CD2-CD1 4.5Å; L79-F119 HydrophobicContact CD2-CE1 3.89Å; L79-F119 HydrophobicContact CD2-CE2 3.93Å; L79-F119 HydrophobicContact CD2-CZ 3.58Å; A106-F119 HydrophobicContact CB-CE1 3.86Å; A106-F119 HydrophobicContact CB-CZ 4.36Å; F110-F119 HydrophobicContact CB-CB 4Å; F110-F119 HydrophobicContact CB-CD1 3.7Å; F110-F119 HydrophobicContact CB-CE1 4.39Å; F110-F119 HydrophobicContact CB-CG 3.95Å; F110-F119 HydrophobicContact CD1-CB 3.29Å; F110-F119 HydrophobicContact CD1-CG 4.13Å; F110-F119 HydrophobicContact CD2-CB 3.45Å; F110-F119 VanDerWaalsContact CD2-CB 3.45Å; F110-F119 HydrophobicContact CD2-CD1 4.1Å; F110-F119 AromaticContact CD2-CD2 3.75Å; F110-F119 HydrophobicContact CD2-CD2 3.75Å; F110-F119 AromaticContact CD2-CG 3.49Å; F110-F119 HydrophobicContact CD2-CG 3.49Å; F110-F119 VanDerWaalsContact CD2-CG 3.49Å; F110-F119 HydrophobicContact CE1-CB 3.5Å; F110-F119 VanDerWaalsContact CE1-CB 3.5Å; F110-F119 HydrophobicContact CE2-CB 3.64Å; F110-F119 HydrophobicContact CE2-CD2 4Å; F110-F119 AromaticContact CE2-CG 3.99Å; F110-F119 HydrophobicContact CE2-CG 3.99Å; F110-F119 HydrophobicContact CG-CB 3.27Å; F110-F119 AromaticContact CG-CD1 3.88Å; F110-F119 HydrophobicContact CG-CD1 3.88Å; F110-F119 HydrophobicContact CG-CD2 4.3Å; F110-F119 AromaticContact CG-CG 3.57Å; F110-F119 HydrophobicContact CG-CG 3.57Å; F110-F119 HydrophobicContact CZ-CB 3.67Å; F110-F119 HydrophobicContact CZ-CG 4.5Å; F119-P121 HydrophobicContact CE1-CB 3.78Å; F119-P121 HydrophobicContact CE1-CG 4.31Å; F119-P121 HydrophobicContact CZ-CB 4.13Å; F119-P121 WeakPolarHBondContact O-CD 3.44Å; F119-W125 HydrophobicContact CE2-CG 4.5Å; F119-W125 AromaticContact CE2-NE1 3.97Å; F119-W125 HydrophobicContact CZ-CD2 4.01Å; F119-W125 AromaticContact CZ-CE2 3.78Å; F119-W125 HydrophobicContact CZ-CG 4.22Å; F119-W125 HydrophobicContact CZ-CZ2 4.26Å; F119-W125 AromaticContact CZ-NE1 3.75Å
120N80.7Confident82.3Confident133 Ų13361.2 Ų61.271%0.71136%0.362SS*.  trans-99.1109.3168.8-172.411.4000109.9S122N120-S122 PolarHBondContact O-N 3.23Å
121P80.4Confident81.4Confident17 Ų1767.3 Ų67.311%0.1139%0.39CS..  trans-69.375.7177.629.1-35.2000110.9A103 A106 E107 F119 W125A103-P121 HydrophobicContact CB-CB 3.9Å; A103-P121 HydrophobicContact CB-CG 3.81Å; A103-P121 WeakPolarHBondContact O-CG 3.48Å; A106-P121 HydrophobicContact CB-CB 4.43Å; E107-P121 HydrophobicContact CB-CG 4.38Å; F119-P121 HydrophobicContact CE1-CB 3.78Å; F119-P121 HydrophobicContact CE1-CG 4.31Å; F119-P121 HydrophobicContact CZ-CB 4.13Å; F119-P121 WeakPolarHBondContact O-CD 3.44Å; P121-W125 HydrophobicContact CB-CE3 4.15Å
122S81.3Confident80.5Confident59 Ų5963.7 Ų63.741%0.41338%0.376SS..  trans-58.5156.8-179.966.60000111.9N120 G124 W125 L126N120-S122 PolarHBondContact O-N 3.23Å; S122-G124 PolarHBondContact O-N 3.38Å; S122-G124 VanDerWaalsContact O-N 3.08Å; S122-W125 WeakPolarHBondContact O-CB 3.45Å; S122-W125 PolarHBondContact O-N 3.08Å; S122-W125 PolarHBondContact OG-N 2.94Å; S122-W125 VanDerWaalsContact OG-N 3.15Å; S122-L126 PolarHBondContact O-N 3.27Å; S122-L126 VanDerWaalsContact O-N 3.07Å
123A81.1Confident79.6Confident81 Ų8163.9 Ų63.967%0.66937%0.37SS*.Hα-helixtrans-53.5-32.1171.800000112.3T127A123-T127 WeakPolarHBondContact O-CB 3.36Å; A123-T127 PolarHBondContact O-N 3.28Å; A123-T127 PolarHBondContact O-OG1 3.08Å
124G80.8Confident78.4Confident38 Ų3865.5 Ų65.539%0.39238%0.381SS..Hα-helixtrans-67.3-40.3174.200000113.5S122 R128S122-G124 PolarHBondContact O-N 3.38Å; S122-G124 VanDerWaalsContact O-N 3.08Å; G124-R128 VanDerWaalsContact O-CG 3.31Å; G124-R128 WeakPolarHBondContact O-CG 3.44Å; G124-R128 PolarHBondContact O-N 3.07Å; G124-R128 VanDerWaalsContact O-N 3.1Å
125W86.6Confident77.7Confident31 Ų3163.4 Ų63.412%0.11736%0.356CS..Hα-helixtrans-62.4-49.4173.817792.6000110.8L79 M83 A106 F119 P121 S122 T127 R128 F129L79-W125 HydrophobicContact CD2-CZ2 4.35Å; M83-W125 HydrophobicContact CE-CH2 4.29Å; M83-W125 HydrophobicContact CG-CH2 4.2Å; A106-W125 HydrophobicContact CB-CE3 4.45Å; A106-W125 HydrophobicContact CB-CH2 3.3Å; A106-W125 HydrophobicContact CB-CZ2 3.94Å; A106-W125 HydrophobicContact CB-CZ3 3.59Å; F119-W125 HydrophobicContact CE2-CG 4.5Å; F119-W125 AromaticContact CE2-NE1 3.97Å; F119-W125 HydrophobicContact CZ-CD2 4.01Å; F119-W125 AromaticContact CZ-CE2 3.78Å; F119-W125 HydrophobicContact CZ-CG 4.22Å; F119-W125 HydrophobicContact CZ-CZ2 4.26Å; F119-W125 AromaticContact CZ-NE1 3.75Å; P121-W125 HydrophobicContact CB-CE3 4.15Å; S122-W125 WeakPolarHBondContact O-CB 3.45Å; S122-W125 PolarHBondContact O-N 3.08Å; S122-W125 PolarHBondContact OG-N 2.94Å; S122-W125 VanDerWaalsContact OG-N 3.15Å; W125-T127 VanDerWaalsContact C-N 3.33Å; W125-T127 PolarHBondContact O-N 3.48Å; W125-R128 CarbonylContact O-C 3.58Å; W125-R128 PolarHBondContact O-N 2.99Å; W125-R128 VanDerWaalsContact O-N 3.1Å; W125-F129 HydrophobicContact CH2-CB 4.17Å; W125-F129 HydrophobicContact CH2-CD2 4.12Å; W125-F129 HydrophobicContact CH2-CG 4.03Å; W125-F129 HydrophobicContact CZ2-CB 4.33Å; W125-F129 HydrophobicContact CZ2-CD2 4.19Å; W125-F129 HydrophobicContact CZ2-CG 4.38Å; W125-F129 HydrophobicContact CZ3-CB 4.28Å; W125-F129 HydrophobicContact CZ3-CG 4.44Å; W125-F129 PolarHBondContact O-N 3.36Å
126L83.3Confident76.6Confident18 Ų1871.4 Ų71.49%0.09438%0.384CS..Hα-helixtrans-61.1-42.3-179.3-17865.4000111.8C102 S122 R128 F129 K130C102-L126 HydrophobicContact CB-CD1 3.79Å; C102-L126 WeakPolarHBondContact SG-CD1 3.35Å; S122-L126 PolarHBondContact O-N 3.27Å; S122-L126 VanDerWaalsContact O-N 3.07Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 3.06Å; L126-F129 PolarHBondContact O-N 3.19Å; L126-K130 HydrophobicContact CD1-CD 4.47Å; L126-K130 HydrophobicContact CD1-CG 4.47Å; L126-K130 HydrophobicContact CG-CD 4.2Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 WeakPolarHBondContact O-CG 3.24Å; L126-K130 PolarHBondContact O-N 2.86Å
127T79.6Confident75.4Confident70 Ų7070.7 Ų70.743%0.42938%0.376SS..Hα-helixtrans-59.6-43.9175.5-58.70000111.1A123 W125 Q131A123-T127 WeakPolarHBondContact O-CB 3.36Å; A123-T127 PolarHBondContact O-N 3.28Å; A123-T127 PolarHBondContact O-OG1 3.08Å; W125-T127 VanDerWaalsContact C-N 3.33Å; W125-T127 PolarHBondContact O-N 3.48Å; T127-Q131 WeakPolarHBondContact O-CB 3.38Å; T127-Q131 VanDerWaalsContact O-CG 3.22Å; T127-Q131 WeakPolarHBondContact O-CG 3.21Å; T127-Q131 PolarHBondContact O-N 3.05Å
128R79.5Confident74.1Confident176 Ų17672.8 Ų72.866%0.66437%0.374SS*.Hα-helixtrans-70.4-35.2177.9-71.1176.2-175.1173.14.8112.8G124 W125 L126 R132G124-R128 VanDerWaalsContact O-CG 3.31Å; G124-R128 WeakPolarHBondContact O-CG 3.44Å; G124-R128 PolarHBondContact O-N 3.07Å; G124-R128 VanDerWaalsContact O-N 3.1Å; W125-R128 CarbonylContact O-C 3.58Å; W125-R128 PolarHBondContact O-N 2.99Å; W125-R128 VanDerWaalsContact O-N 3.1Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 3.06Å; R128-R132 WeakPolarHBondContact O-CB 3.31Å; R128-R132 VanDerWaalsContact O-CG 3.26Å; R128-R132 WeakPolarHBondContact O-CG 3.36Å; R128-R132 PolarHBondContact O-N 3Å; R128-R132 PolarHBondContact O-NE 3.43Å
129F80.3Confident72.5Confident0 Ų072.8 Ų72.80%037%0.374CS..Hα-helixtrans-61.5-53172.8175.4-100.7000110.5D80 M83 W125 L126 Q131 R132 H133 I135D80-F129 VanDerWaalsContact OD1-CD2 3.25Å; D80-F129 WeakPolarHBondContact OD1-CD2 3.3Å; M83-F129 HydrophobicContact CB-CD2 4.46Å; M83-F129 HydrophobicContact CB-CE2 3.58Å; M83-F129 HydrophobicContact CB-CZ 3.78Å; W125-F129 HydrophobicContact CH2-CB 4.17Å; W125-F129 HydrophobicContact CH2-CD2 4.12Å; W125-F129 HydrophobicContact CH2-CG 4.03Å; W125-F129 HydrophobicContact CZ2-CB 4.33Å; W125-F129 HydrophobicContact CZ2-CD2 4.19Å; W125-F129 HydrophobicContact CZ2-CG 4.38Å; W125-F129 HydrophobicContact CZ3-CB 4.28Å; W125-F129 HydrophobicContact CZ3-CG 4.44Å; W125-F129 PolarHBondContact O-N 3.36Å; L126-F129 PolarHBondContact O-N 3.19Å; F129-Q131 VanDerWaalsContact C-N 3.32Å; F129-Q131 PolarHBondContact O-N 3.44Å; F129-R132 PolarHBondContact O-N 2.75Å; F129-R132 VanDerWaalsContact O-N 3.1Å; F129-H133 AromaticContact CD2-CD2 3.48Å; F129-H133 VanDerWaalsContact CD2-CD2 3.48Å; F129-H133 WeakPolarHBondContact CD2-CD2 3.36Å; F129-H133 AromaticContact CD2-NE2 3.76Å; F129-H133 AromaticContact CE2-CD2 3.26Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.32Å; F129-H133 AromaticContact CE2-NE2 3.52Å; F129-H133 AromaticContact CZ-CD2 3.75Å; F129-H133 PolarHBondContact O-CD2 2.86Å; F129-H133 PolarHBondContact O-N 3.13Å; F129-H133 VanDerWaalsContact O-N 3.12Å; F129-I135 HydrophobicContact CD1-CD1 3.95Å; F129-I135 HydrophobicContact CE1-CD1 3.39Å; F129-I135 HydrophobicContact CZ-CD1 4.1Å
130K75.5Confident70.9Confident26 Ų2676.3 Ų76.311%0.11339%0.393CS..Hα-helixtrans-57.3-44.1176.8-70.9174.1175.1170.80112.6L126 H133 S134 I135 E137L126-K130 HydrophobicContact CD1-CD 4.47Å; L126-K130 HydrophobicContact CD1-CG 4.47Å; L126-K130 HydrophobicContact CG-CD 4.2Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 WeakPolarHBondContact O-CG 3.24Å; L126-K130 PolarHBondContact O-N 2.86Å; K130-H133 PolarHBondContact O-N 3.48Å; K130-S134 PolarHBondContact O-N 3.09Å; K130-I135 HydrophobicContact CB-CB 4.12Å; K130-I135 HydrophobicContact CG-CB 4.06Å; K130-I135 HydrophobicContact CG-CG2 4.16Å; K130-I135 PolarHBondContact O-N 2.79Å; K130-E137 HydrophobicContact CD-CG 4.45Å; K130-E137 IonicContact NZ-OE1 2.59Å; K130-E137 PolarHBondContact NZ-OE1 3.44Å
131Q69.9Low68.8Low129 Ų12980.7 Ų80.760%0.60340%0.399SS*.Hα-helixtrans-65.9-35.4177.2-76.8176.75.200113.3L64 T127 F129 H133L64-Q131 WeakPolarHBondContact CD2-O 3.32Å; T127-Q131 WeakPolarHBondContact O-CB 3.38Å; T127-Q131 VanDerWaalsContact O-CG 3.22Å; T127-Q131 WeakPolarHBondContact O-CG 3.21Å; T127-Q131 PolarHBondContact O-N 3.05Å; F129-Q131 VanDerWaalsContact C-N 3.32Å; F129-Q131 PolarHBondContact O-N 3.44Å; Q131-H133 VanDerWaalsContact C-N 3.34Å
132R70.5Confident66.6Low36 Ų3687.5 Ų87.514%0.13644%0.435CS..Hα-helixtrans-67.7-37.1178-82.5177.1-68.1143.30.1112S74 D80 R128 F129S74-R132 PolarHBondContact OG-NH1 3.08Å; D80-R132 IonicContact OD1-CZ 2.84Å; D80-R132 IonicContact OD1-NH1 3.61Å; D80-R132 PolarHBondContact OD1-NH1 3.42Å; D80-R132 IonicContact OD1-NH2 2.94Å; D80-R132 PolarHBondContact OD1-NH2 2.95Å; D80-R132 IonicContact OD2-CZ 3.18Å; D80-R132 IonicContact OD2-NH1 3.07Å; D80-R132 PolarHBondContact OD2-NH1 3.38Å; R128-R132 WeakPolarHBondContact O-CB 3.31Å; R128-R132 VanDerWaalsContact O-CG 3.26Å; R128-R132 WeakPolarHBondContact O-CG 3.36Å; R128-R132 PolarHBondContact O-N 3Å; R128-R132 PolarHBondContact O-NE 3.43Å; F129-R132 PolarHBondContact O-N 2.75Å; F129-R132 VanDerWaalsContact O-N 3.1Å
133H67.7Low64.6Low47 Ų4790.5 Ų90.522%0.21844%0.443CS..THydrogen-bonded Turntrans-10714.5-173.3-58-54000114.3D80 L84 F129 K130 Q131 I135D80-H133 IonicContact OD1-CD2 3.15Å; D80-H133 IonicContact OD1-CE1 3.53Å; D80-H133 IonicContact OD1-NE2 2.86Å; D80-H133 PolarHBondContact OD1-NE2 3.43Å; D80-H133 IonicContact OD2-CE1 2.59Å; D80-H133 PolarHBondContact OD2-CE1 3.21Å; D80-H133 VanDerWaalsContact OD2-CE1 3.29Å; D80-H133 IonicContact OD2-NE2 3.22Å; D80-H133 PolarHBondContact OD2-NE2 3.49Å; D80-H133 VanDerWaalsContact OD2-NE2 3.07Å; L84-H133 HydrophobicContact CD1-CB 3.74Å; F129-H133 AromaticContact CD2-CD2 3.48Å; F129-H133 VanDerWaalsContact CD2-CD2 3.48Å; F129-H133 WeakPolarHBondContact CD2-CD2 3.36Å; F129-H133 AromaticContact CD2-NE2 3.76Å; F129-H133 AromaticContact CE2-CD2 3.26Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.32Å; F129-H133 AromaticContact CE2-NE2 3.52Å; F129-H133 AromaticContact CZ-CD2 3.75Å; F129-H133 PolarHBondContact O-CD2 2.86Å; F129-H133 PolarHBondContact O-N 3.13Å; F129-H133 VanDerWaalsContact O-N 3.12Å; K130-H133 PolarHBondContact O-N 3.48Å; Q131-H133 VanDerWaalsContact C-N 3.34Å; H133-I135 HydrophobicContact CB-CD1 4.04Å; H133-I135 HydrophobicContact CB-CG1 4.06Å; H133-I135 PolarHBondContact O-N 3.46Å; H133-I135 VanDerWaalsContact O-N 3.16Å
134S61.1Low62.8Low42 Ų4295.4 Ų95.429%0.29444%0.444SS..THydrogen-bonded Turntrans54.930-178.9-57.40000115.4L64 K130 R136L64-S134 WeakPolarHBondContact CD1-OG 3.33Å; L64-S134 VanDerWaalsContact CD2-OG 3.23Å; L64-S134 WeakPolarHBondContact CD2-OG 3.33Å; L64-S134 WeakPolarHBondContact CG-OG 3.48Å; K130-S134 PolarHBondContact O-N 3.09Å; S134-R136 PolarHBondContact O-N 3.22Å
135I68.4Low61Low17 Ų17101 Ų1019%0.08746%0.464CS..  trans-77.2111.7179.9-60167.6000108.5F87 F129 K130 H133F87-I135 HydrophobicContact CD1-CD1 3.62Å; F87-I135 HydrophobicContact CD1-CG1 4.08Å; F87-I135 HydrophobicContact CD2-CD1 4.19Å; F87-I135 HydrophobicContact CE1-CB 4.26Å; F87-I135 HydrophobicContact CE1-CD1 3.51Å; F87-I135 HydrophobicContact CE1-CG1 3.59Å; F87-I135 HydrophobicContact CE1-CG2 3.67Å; F87-I135 HydrophobicContact CE2-CD1 4.1Å; F87-I135 HydrophobicContact CE2-CG2 4.08Å; F87-I135 HydrophobicContact CG-CD1 3.98Å; F87-I135 HydrophobicContact CZ-CB 4.27Å; F87-I135 HydrophobicContact CZ-CD1 3.81Å; F87-I135 HydrophobicContact CZ-CG1 4.03Å; F87-I135 HydrophobicContact CZ-CG2 3.26Å; F129-I135 HydrophobicContact CD1-CD1 3.95Å; F129-I135 HydrophobicContact CE1-CD1 3.39Å; F129-I135 HydrophobicContact CZ-CD1 4.1Å; K130-I135 HydrophobicContact CB-CB 4.12Å; K130-I135 HydrophobicContact CG-CB 4.06Å; K130-I135 HydrophobicContact CG-CG2 4.16Å; K130-I135 PolarHBondContact O-N 2.79Å; H133-I135 HydrophobicContact CB-CD1 4.04Å; H133-I135 HydrophobicContact CB-CG1 4.06Å; H133-I135 PolarHBondContact O-N 3.46Å; H133-I135 VanDerWaalsContact O-N 3.16Å
136R61.3Low59Low201 Ų201105.3 Ų105.376%0.75849%0.489SS*.  trans-81.9137.8173-54.3-176-152.4178.29.3110.1R91 S134R91-R136 PolarHBondContact NH2-O 3.14Å; S134-R136 PolarHBondContact O-N 3.22Å
137E54.4Low57.6Low142 Ų142104.8 Ų104.866%0.66449%0.488SS*.  trans-75.7128.5167.3-82.9-179.3170.300109.5K130K130-E137 HydrophobicContact CD-CG 4.45Å; K130-E137 IonicContact NZ-OE1 2.59Å; K130-E137 PolarHBondContact NZ-OE1 3.44Å
138I53.4Low56.8Low95 Ų95104.3 Ų104.349%0.48748%0.483SS..  trans-108.1121.9169.3-53.9174.8000105.1I140I138-I140 HydrophobicContact CB-CD1 4.39Å; I138-I140 HydrophobicContact CB-CG1 4.17Å; I138-I140 HydrophobicContact CG2-CD1 4.37Å; I138-I140 HydrophobicContact CG2-CG1 3.82Å; I138-I140 PolarHBondContact O-N 2.77Å
139N44.3Very low56.3Low159 Ų159102.4 Ų102.485%0.8548%0.481SS*.  trans-78.187.3179.7-98.2-33.5000109.7R141N139-R141 PolarHBondContact O-N 2.9Å
140I49Very low56.1Low86 Ų86105.1 Ų105.144%0.44150%0.498SS..  trans-93.367.2-178.4-52.6167.5000108.9P96 I138P96-I140 HydrophobicContact CB-CD1 3.39Å; P96-I140 HydrophobicContact CG-CD1 4.47Å; I138-I140 HydrophobicContact CB-CD1 4.39Å; I138-I140 HydrophobicContact CB-CG1 4.17Å; I138-I140 HydrophobicContact CG2-CD1 4.37Å; I138-I140 HydrophobicContact CG2-CG1 3.82Å; I138-I140 PolarHBondContact O-N 2.77Å
141R36.8Very low56.1Low224 Ų224104.9 Ų104.985%0.84550%0.501SS*.SBendtrans-105.7-12.9178-101.6-177.7179.7178.8-0.4116.5N139N139-R141 PolarHBondContact O-N 2.9Å
142N33.9Very low56.6Low160 Ų160100 Ų10086%0.85648%0.48SS*.SBendtrans-140.43.3-173.5-79.1-24.7000119.1
143E40Very low57.2Low123 Ų123104 Ų10458%0.57550%0.5SS*.  trans-136.746.6-162.3-57.1-179.2163.200115.4L145 G147E143-L145 PolarHBondContact O-N 3.2Å; E143-G147 VanDerWaalsContact CB-CA 3.46Å; E143-G147 WeakPolarHBondContact O-CA 3.12Å; E143-G147 PolarHBondContact O-N 3.45Å
144R42.8Very low58.1Low183 Ų183106.2 Ų106.269%0.69151%0.514SS*.THydrogen-bonded Turntrans-76.60.8-177.9-85.4-174.8170.5-177.5-4.2116.3
145L42.8Very low59.3Low157 Ų157105.6 Ų105.682%0.82251%0.506SS*.THydrogen-bonded Turntrans-128.7-30.5175.7-67.7169.9000112.7E143E143-L145 PolarHBondContact O-N 3.2Å
146N45.5Very low60.2Low120 Ų120105 Ų10564%0.64250%0.503SS*.THydrogen-bonded Turntrans-102.7-15.5174.7-693.7000113.8T150N146-T150 WeakPolarHBondContact O-CG2 3.38Å; N146-T150 PolarHBondContact O-N 2.92Å; N146-T150 PolarHBondContact O-OG1 3.21Å; N146-T150 VanDerWaalsContact O-OG1 3.14Å
147G53.7Low61.5Low7 Ų798.5 Ų98.57%0.07248%0.483CS..Hα-helixtrans-80.7-23.8-171.400000114.6E143 T150 A151E143-G147 VanDerWaalsContact CB-CA 3.46Å; E143-G147 WeakPolarHBondContact O-CA 3.12Å; E143-G147 PolarHBondContact O-N 3.45Å; G147-T150 VanDerWaalsContact CA-OG1 3.28Å; G147-T150 WeakPolarHBondContact CA-OG1 3.12Å; G147-T150 PolarHBondContact O-OG1 2.73Å; G147-T150 VanDerWaalsContact O-OG1 3.09Å; G147-A151 WeakPolarHBondContact O-CB 3.38Å; G147-A151 PolarHBondContact O-N 3.4Å
148D61.5Low63.1Low60 Ų6096.7 Ų96.732%0.32148%0.478SS..Hα-helixtrans-79.9-37.5177.2-67.7-33.7000110.7A151 V152 N318 V319 L322D148-A151 PolarHBondContact O-N 2.9Å; D148-V152 WeakPolarHBondContact O-CB 3.4Å; D148-V152 VanDerWaalsContact O-CG2 3.27Å; D148-V152 WeakPolarHBondContact O-CG2 3.38Å; D148-V152 PolarHBondContact O-N 2.65Å; D148-N318 PolarHBondContact OD1-ND2 3.23Å; D148-V319 HydrophobicContact CB-CG1 4.24Å; D148-L322 HydrophobicContact CB-CD1 4.43Å
149E69.1Low64.9Low136 Ų13692.4 Ų92.464%0.63646%0.456SS*.Hα-helixtrans-64.6-46.1171.7-73.6-176.8172.200111.5A151 V152 E153E149-A151 PolarHBondContact O-N 3.03Å; E149-V152 PolarHBondContact O-N 3.42Å; E149-E153 WeakPolarHBondContact O-CG 3.32Å; E149-E153 PolarHBondContact O-N 3.46Å
150T76.1Confident67.1Low57 Ų5788.7 Ų88.735%0.3543%0.43SS..Hα-helixtrans-64.3-39.1175.155.30000111.9N146 G147 V152 E153 D154N146-T150 WeakPolarHBondContact O-CG2 3.38Å; N146-T150 PolarHBondContact O-N 2.92Å; N146-T150 PolarHBondContact O-OG1 3.21Å; N146-T150 VanDerWaalsContact O-OG1 3.14Å; G147-T150 VanDerWaalsContact CA-OG1 3.28Å; G147-T150 WeakPolarHBondContact CA-OG1 3.12Å; G147-T150 PolarHBondContact O-OG1 2.73Å; G147-T150 VanDerWaalsContact O-OG1 3.09Å; T150-V152 VanDerWaalsContact C-N 3.35Å; T150-V152 PolarHBondContact O-N 2.74Å; T150-E153 PolarHBondContact O-N 2.91Å; T150-D154 VanDerWaalsContact O-CB 3.23Å; T150-D154 WeakPolarHBondContact O-CB 3.31Å; T150-D154 PolarHBondContact O-N 3.01Å
151A75.1Confident69Low22 Ų2289.2 Ų89.218%0.18243%0.434CS..Hα-helixtrans-66.4-34.8175.300000113G147 D148 E149 F155 N318 V319G147-A151 WeakPolarHBondContact O-CB 3.38Å; G147-A151 PolarHBondContact O-N 3.4Å; D148-A151 PolarHBondContact O-N 2.9Å; E149-A151 PolarHBondContact O-N 3.03Å; A151-F155 VanDerWaalsContact O-CB 3.3Å; A151-F155 WeakPolarHBondContact O-CB 3.18Å; A151-F155 PolarHBondContact O-N 2.96Å; A151-N318 WeakPolarHBondContact CB-ND2 3.31Å; A151-V319 HydrophobicContact CB-CG1 4.04Å
152V80.7Confident71.6Confident26 Ų2679.4 Ų79.416%0.15840%0.397CS..Hα-helixtrans-64-51.8171166.30000109.8D148 E149 T150 D154 F155 C156 V319 I323D148-V152 WeakPolarHBondContact O-CB 3.4Å; D148-V152 VanDerWaalsContact O-CG2 3.27Å; D148-V152 WeakPolarHBondContact O-CG2 3.38Å; D148-V152 PolarHBondContact O-N 2.65Å; E149-V152 PolarHBondContact O-N 3.42Å; T150-V152 VanDerWaalsContact C-N 3.35Å; T150-V152 PolarHBondContact O-N 2.74Å; V152-D154 PolarHBondContact O-N 2.78Å; V152-F155 PolarHBondContact O-N 2.63Å; V152-C156 WeakPolarHBondContact O-CB 3.43Å; V152-C156 PolarHBondContact O-N 3.28Å; V152-C156 PolarHBondContact O-SG 2.51Å; V152-V319 HydrophobicContact CG2-CB 3.59Å; V152-V319 HydrophobicContact CG2-CG1 3.65Å; V152-V319 HydrophobicContact CG2-CG2 4.03Å; V152-I323 HydrophobicContact CB-CG2 4.35Å; V152-I323 HydrophobicContact CG1-CG2 3.73Å; V152-I323 HydrophobicContact CG2-CG2 3.64Å
153E84.1Confident74.4Confident120 Ų12072.8 Ų72.856%0.56136%0.362SS*.Hα-helixtrans-59.9-47.1-179.9-75-177.1175.500111.8E149 T150 F155 C156 N157E149-E153 WeakPolarHBondContact O-CG 3.32Å; E149-E153 PolarHBondContact O-N 3.46Å; T150-E153 PolarHBondContact O-N 2.91Å; E153-F155 VanDerWaalsContact C-N 3.33Å; E153-F155 PolarHBondContact O-N 3.3Å; E153-C156 PolarHBondContact O-N 2.81Å; E153-N157 VanDerWaalsContact O-CB 3.32Å; E153-N157 WeakPolarHBondContact O-CB 3.37Å; E153-N157 PolarHBondContact O-N 3.08Å; E153-N157 PolarHBondContact O-ND2 3.11Å
154D85.6Confident76.8Confident93 Ų9373.9 Ų73.950%0.49737%0.367SS..Hα-helixtrans-57.8-46.2176.1-78.7-16.7000110.9T150 V152 N158T150-D154 VanDerWaalsContact O-CB 3.23Å; T150-D154 WeakPolarHBondContact O-CB 3.31Å; T150-D154 PolarHBondContact O-N 3.01Å; V152-D154 PolarHBondContact O-N 2.78Å; D154-N158 VanDerWaalsContact O-CB 3.3Å; D154-N158 WeakPolarHBondContact O-CB 3.3Å; D154-N158 VanDerWaalsContact O-CG 3.25Å; D154-N158 PolarHBondContact O-N 2.95Å; D154-N158 PolarHBondContact O-ND2 3.24Å
155F86.9Confident79.1Confident30 Ų3073.8 Ų73.813%0.13237%0.366CS..Hα-helixtrans-63.9-47.7177.2176.3-98.5000111.6A151 V152 E153 N157 N158 F159 L290 L315 P316 I323A151-F155 VanDerWaalsContact O-CB 3.3Å; A151-F155 WeakPolarHBondContact O-CB 3.18Å; A151-F155 PolarHBondContact O-N 2.96Å; V152-F155 PolarHBondContact O-N 2.63Å; E153-F155 VanDerWaalsContact C-N 3.33Å; E153-F155 PolarHBondContact O-N 3.3Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 3.24Å; F155-N158 PolarHBondContact O-N 3.3Å; F155-F159 HydrophobicContact CE1-CB 4.26Å; F155-F159 HydrophobicContact CE1-CG 4.43Å; F155-F159 HydrophobicContact CZ-CB 4.27Å; F155-F159 HydrophobicContact CZ-CD2 4.32Å; F155-F159 HydrophobicContact CZ-CG 4.3Å; F155-F159 VanDerWaalsContact O-CB 3.22Å; F155-F159 WeakPolarHBondContact O-CB 3.47Å; F155-F159 PolarHBondContact O-N 2.83Å; F155-L290 HydrophobicContact CZ-CD1 4.04Å; F155-L315 HydrophobicContact CD1-CD2 4.45Å; F155-L315 HydrophobicContact CE1-CD2 3.59Å; F155-L315 HydrophobicContact CZ-CD2 3.74Å; F155-P316 HydrophobicContact CB-CG 3.67Å; F155-P316 HydrophobicContact CD1-CG 4.42Å; F155-P316 VanDerWaalsContact CD2-CD 3.48Å; F155-P316 HydrophobicContact CD2-CG 3.43Å; F155-P316 VanDerWaalsContact CD2-CG 3.43Å; F155-P316 HydrophobicContact CE2-CG 4.2Å; F155-P316 HydrophobicContact CG-CG 3.56Å; F155-I323 HydrophobicContact CD1-CD1 3.6Å; F155-I323 HydrophobicContact CE1-CD1 3.99Å; F155-I323 HydrophobicContact CG-CD1 4.42Å
156C88.1Confident81.4Confident3 Ų368.4 Ų68.42%0.0234%0.337CS..Hα-helixtrans-61.9-40.2-179.7-68.70000111.6V152 E153 F159 R160 K387V152-C156 WeakPolarHBondContact O-CB 3.43Å; V152-C156 PolarHBondContact O-N 3.28Å; V152-C156 PolarHBondContact O-SG 2.51Å; E153-C156 PolarHBondContact O-N 2.81Å; C156-F159 PolarHBondContact O-N 3Å; C156-R160 WeakPolarHBondContact O-CB 3.32Å; C156-R160 VanDerWaalsContact O-CG 3.32Å; C156-R160 WeakPolarHBondContact O-CG 3.31Å; C156-R160 PolarHBondContact O-N 2.95Å; C156-R160 PolarHBondContact O-NE 2.9Å; C156-K387 PolarHBondContact SG-O 3.5Å; C156-K387 VanDerWaalsContact SG-O 3.4Å
157N87.8Confident83.6Confident66 Ų6668.3 Ų68.335%0.35334%0.337SS..Hα-helixtrans-63.8-52.2174.6-67.4-23.3000110.9E153 F155 F159 R160 D161E153-N157 VanDerWaalsContact O-CB 3.32Å; E153-N157 WeakPolarHBondContact O-CB 3.37Å; E153-N157 PolarHBondContact O-N 3.08Å; E153-N157 PolarHBondContact O-ND2 3.11Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 3.24Å; N157-F159 VanDerWaalsContact C-N 3.26Å; N157-F159 PolarHBondContact O-N 3.49Å; N157-R160 PolarHBondContact O-N 3.46Å; N157-R160 VanDerWaalsContact O-N 3.16Å; N157-R160 VanDerWaalsContact OD1-CZ 3.27Å; N157-R160 PolarHBondContact OD1-NH1 2.78Å; N157-R160 PolarHBondContact OD1-NH2 3.37Å; N157-D161 PolarHBondContact O-N 2.93Å
158N89Confident85.4Confident103 Ų10368.3 Ų68.355%0.55134%0.335SS*.Hα-helixtrans-60.6-35177.9-76.3-55.9000112.8D154 F155 F162D154-N158 VanDerWaalsContact O-CB 3.3Å; D154-N158 WeakPolarHBondContact O-CB 3.3Å; D154-N158 VanDerWaalsContact O-CG 3.25Å; D154-N158 PolarHBondContact O-N 2.95Å; D154-N158 PolarHBondContact O-ND2 3.24Å; F155-N158 PolarHBondContact O-N 3.3Å; N158-F162 VanDerWaalsContact O-CB 3.29Å; N158-F162 WeakPolarHBondContact O-CB 3.28Å; N158-F162 PolarHBondContact O-N 3.35Å
159F90.4Very high86.9Confident5 Ų569.4 Ų69.42%0.02234%0.338CS..Hα-helixtrans-72.9-37.7178.4-170.2-116.8000111.5F155 C156 N157 F162 I163 I173 V288 L290 K313 I388 L389F155-F159 HydrophobicContact CE1-CB 4.26Å; F155-F159 HydrophobicContact CE1-CG 4.43Å; F155-F159 HydrophobicContact CZ-CB 4.27Å; F155-F159 HydrophobicContact CZ-CD2 4.32Å; F155-F159 HydrophobicContact CZ-CG 4.3Å; F155-F159 VanDerWaalsContact O-CB 3.22Å; F155-F159 WeakPolarHBondContact O-CB 3.47Å; F155-F159 PolarHBondContact O-N 2.83Å; C156-F159 PolarHBondContact O-N 3Å; N157-F159 VanDerWaalsContact C-N 3.26Å; N157-F159 PolarHBondContact O-N 3.49Å; F159-F162 HydrophobicContact CD2-CD1 4Å; F159-F162 HydrophobicContact CE2-CD1 4Å; F159-F162 HydrophobicContact CE2-CE1 4.23Å; F159-F162 WeakPolarHBondContact O-CB 3.34Å; F159-F162 PolarHBondContact O-N 3.12Å; F159-I163 HydrophobicContact CD1-CD1 3.66Å; F159-I163 HydrophobicContact CD1-CG1 4.47Å; F159-I163 HydrophobicContact CE1-CD1 3.54Å; F159-I163 HydrophobicContact CE1-CG1 4.3Å; F159-I163 HydrophobicContact CG-CD1 4.37Å; F159-I163 HydrophobicContact CZ-CD1 4.13Å; F159-I163 HydrophobicContact CZ-CG1 4.43Å; F159-I163 VanDerWaalsContact O-CG1 3.29Å; F159-I163 WeakPolarHBondContact O-CG1 3.49Å; F159-I163 PolarHBondContact O-N 2.87Å; F159-I173 HydrophobicContact CE1-CG2 4.35Å; F159-I173 HydrophobicContact CZ-CG2 4.13Å; F159-V288 HydrophobicContact CZ-CG1 4.36Å; F159-L290 HydrophobicContact CE1-CD2 4.48Å; F159-L290 HydrophobicContact CE2-CD1 4.45Å; F159-L290 HydrophobicContact CZ-CD2 4.36Å; F159-K313 HydrophobicContact CD2-CD 4.37Å; F159-K313 HydrophobicContact CE2-CD 4.16Å; F159-I388 HydrophobicContact CD1-CG2 3.52Å; F159-I388 HydrophobicContact CE1-CG2 3.9Å; F159-L389 HydrophobicContact CD1-CD2 4.34Å; F159-L389 HydrophobicContact CE1-CD2 4.44Å
160R89.7Confident88Confident82 Ų8264.8 Ų64.831%0.30932%0.32SS..Hα-helixtrans-62.7-48.8171.7-78.5-176.6-107112.8-1.7111.7C156 N157 F162 I163 E164 L389C156-R160 WeakPolarHBondContact O-CB 3.32Å; C156-R160 VanDerWaalsContact O-CG 3.32Å; C156-R160 WeakPolarHBondContact O-CG 3.31Å; C156-R160 PolarHBondContact O-N 2.95Å; C156-R160 PolarHBondContact O-NE 2.9Å; N157-R160 PolarHBondContact O-N 3.46Å; N157-R160 VanDerWaalsContact O-N 3.16Å; N157-R160 VanDerWaalsContact OD1-CZ 3.27Å; N157-R160 PolarHBondContact OD1-NH1 2.78Å; N157-R160 PolarHBondContact OD1-NH2 3.37Å; R160-F162 PolarHBondContact O-N 2.89Å; R160-I163 WeakPolarHBondContact O-CB 3.23Å; R160-I163 PolarHBondContact O-N 3.09Å; R160-E164 PolarHBondContact O-N 2.86Å; R160-L389 HydrophobicContact CG-CD2 4.32Å
161D90.3Very high88.8Confident97 Ų9764.3 Ų64.352%0.51931%0.314SS..Hα-helixtrans-56.5-38.6174.8-66.9-10.6000111.7N157 R165N157-D161 PolarHBondContact O-N 2.93Å; D161-R165 VanDerWaalsContact O-CB 3.23Å; D161-R165 WeakPolarHBondContact O-CB 3.46Å; D161-R165 PolarHBondContact O-N 2.98Å
162F91.1Very high89.8Confident17 Ų1763.6 Ų63.68%0.07531%0.306CS..Hα-helixtrans-66.5-44.6175.8164.4-94.5000112.3N158 F159 R160 E164 R165 E166 L168 V288 F311 K313N158-F162 VanDerWaalsContact O-CB 3.29Å; N158-F162 WeakPolarHBondContact O-CB 3.28Å; N158-F162 PolarHBondContact O-N 3.35Å; F159-F162 HydrophobicContact CD2-CD1 4Å; F159-F162 HydrophobicContact CE2-CD1 4Å; F159-F162 HydrophobicContact CE2-CE1 4.23Å; F159-F162 WeakPolarHBondContact O-CB 3.34Å; F159-F162 PolarHBondContact O-N 3.12Å; R160-F162 PolarHBondContact O-N 2.89Å; F162-E164 VanDerWaalsContact C-N 3.33Å; F162-E164 PolarHBondContact O-N 3.32Å; F162-R165 PolarHBondContact O-N 3.3Å; F162-E166 HydrophobicContact CD2-CG 3.76Å; F162-E166 HydrophobicContact CE1-CG 4.37Å; F162-E166 HydrophobicContact CE2-CG 3.32Å; F162-E166 HydrophobicContact CG-CG 4.44Å; F162-E166 HydrophobicContact CZ-CB 4.49Å; F162-E166 HydrophobicContact CZ-CG 3.65Å; F162-E166 WeakPolarHBondContact O-CB 3.42Å; F162-E166 VanDerWaalsContact O-CG 3.28Å; F162-E166 WeakPolarHBondContact O-CG 3.44Å; F162-E166 PolarHBondContact O-N 3.19Å; F162-L168 HydrophobicContact CE1-CD1 3.9Å; F162-L168 HydrophobicContact CZ-CD1 4.23Å; F162-V288 HydrophobicContact CE1-CB 4.33Å; F162-V288 HydrophobicContact CE1-CG1 4.43Å; F162-V288 HydrophobicContact CE1-CG2 4.11Å; F162-V288 HydrophobicContact CZ-CG2 4.4Å; F162-F311 AromaticContact CE2-CE2 3.94Å; F162-F311 HydrophobicContact CE2-CE2 3.94Å; F162-F311 AromaticContact CE2-CZ 4Å; F162-F311 HydrophobicContact CE2-CZ 4Å; F162-F311 AromaticContact CZ-CE2 3.43Å; F162-F311 HydrophobicContact CZ-CE2 3.43Å; F162-F311 VanDerWaalsContact CZ-CE2 3.43Å; F162-F311 AromaticContact CZ-CZ 3.53Å; F162-F311 HydrophobicContact CZ-CZ 3.53Å; F162-K313 HydrophobicContact CD1-CD 4.03Å; F162-K313 HydrophobicContact CD2-CD 4.5Å; F162-K313 VanDerWaalsContact CD2-CE 3.5Å; F162-K313 HydrophobicContact CE1-CD 3.78Å; F162-K313 HydrophobicContact CE2-CD 4.25Å; F162-K313 HydrophobicContact CG-CD 4.4Å; F162-K313 HydrophobicContact CZ-CD 3.9Å; F162-K313 VanDerWaalsContact CZ-CE 3.46Å
163I91.5Very high90.6Very high21 Ų2162.4 Ų62.411%0.10830%0.299CS..Hα-helixtrans-59.6-46.1176.9-73.3162.3000110.5F159 R160 E166 N167 L168 I173 L389F159-I163 HydrophobicContact CD1-CD1 3.66Å; F159-I163 HydrophobicContact CD1-CG1 4.47Å; F159-I163 HydrophobicContact CE1-CD1 3.54Å; F159-I163 HydrophobicContact CE1-CG1 4.3Å; F159-I163 HydrophobicContact CG-CD1 4.37Å; F159-I163 HydrophobicContact CZ-CD1 4.13Å; F159-I163 HydrophobicContact CZ-CG1 4.43Å; F159-I163 VanDerWaalsContact O-CG1 3.29Å; F159-I163 WeakPolarHBondContact O-CG1 3.49Å; F159-I163 PolarHBondContact O-N 2.87Å; R160-I163 WeakPolarHBondContact O-CB 3.23Å; R160-I163 PolarHBondContact O-N 3.09Å; I163-E166 PolarHBondContact O-N 3.27Å; I163-N167 WeakPolarHBondContact O-CA 3.29Å; I163-N167 PolarHBondContact O-N 3.09Å; I163-L168 HydrophobicContact CG2-CB 4.23Å; I163-L168 VanDerWaalsContact CG2-O 3.31Å; I163-L168 WeakPolarHBondContact CG2-O 3.48Å; I163-L168 PolarHBondContact O-N 3.29Å; I163-I173 HydrophobicContact CD1-CD1 3.52Å; I163-I173 HydrophobicContact CG1-CD1 3.85Å; I163-I173 HydrophobicContact CG2-CD1 4.32Å; I163-L389 HydrophobicContact CD1-CD1 4.29Å; I163-L389 HydrophobicContact CD1-CD2 3.45Å; I163-L389 VanDerWaalsContact CD1-CD2 3.45Å; I163-L389 HydrophobicContact CD1-CG 4.48Å
164E90.8Very high91.2Very high146 Ų14656.7 Ų56.768%0.68227%0.273SS*.Hα-helixtrans-63.4-47.8178.4-70.3-179.7-175.300111.5R160 F162 E166 N167R160-E164 PolarHBondContact O-N 2.86Å; F162-E164 VanDerWaalsContact C-N 3.33Å; F162-E164 PolarHBondContact O-N 3.32Å; E164-E166 VanDerWaalsContact C-N 3.31Å; E164-E166 PolarHBondContact O-N 3.41Å; E164-N167 PolarHBondContact O-N 3.49Å; E164-N167 VanDerWaalsContact O-N 3.08Å
165R92.4Very high91.7Very high181 Ų18152.4 Ų52.468%0.68325%0.25SC*.Hα-helixtrans-61.5-39.8178.9-172.3-173.173.1-170.31.1112.6D161 F162 N167D161-R165 VanDerWaalsContact O-CB 3.23Å; D161-R165 WeakPolarHBondContact O-CB 3.46Å; D161-R165 PolarHBondContact O-N 2.98Å; F162-R165 PolarHBondContact O-N 3.3Å; R165-N167 VanDerWaalsContact C-N 3.28Å
166E89.6Confident92.1Very high45 Ų4551 Ų5121%0.2124%0.243CC..Hα-helixtrans-83.9-4.6178.8-63-55.8149.400113.1F162 I163 E164 L168 K286F162-E166 HydrophobicContact CD2-CG 3.76Å; F162-E166 HydrophobicContact CE1-CG 4.37Å; F162-E166 HydrophobicContact CE2-CG 3.32Å; F162-E166 HydrophobicContact CG-CG 4.44Å; F162-E166 HydrophobicContact CZ-CB 4.49Å; F162-E166 HydrophobicContact CZ-CG 3.65Å; F162-E166 WeakPolarHBondContact O-CB 3.42Å; F162-E166 VanDerWaalsContact O-CG 3.28Å; F162-E166 WeakPolarHBondContact O-CG 3.44Å; F162-E166 PolarHBondContact O-N 3.19Å; I163-E166 PolarHBondContact O-N 3.27Å; E164-E166 VanDerWaalsContact C-N 3.31Å; E164-E166 PolarHBondContact O-N 3.41Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 HydrophobicContact CB-CD1 3.95Å; E166-L168 HydrophobicContact CB-CD2 4.47Å; E166-L168 HydrophobicContact CB-CG 3.76Å; E166-L168 PolarHBondContact O-N 3.08Å; E166-K286 PolarHBondContact O-NZ 2.98Å; E166-K286 WeakPolarHBondContact OE2-CE 3.38Å; E166-K286 IonicContact OE2-NZ 3.73Å; E166-K286 PolarHBondContact OE2-NZ 2.96Å
167N91.3Very high92.2Very high118 Ų11851.3 Ų51.363%0.63125%0.245SC*.THydrogen-bonded Turntrans51.747.2-175.6-167.338.6000113I163 E164 R165I163-N167 WeakPolarHBondContact O-CA 3.29Å; I163-N167 PolarHBondContact O-N 3.09Å; E164-N167 PolarHBondContact O-N 3.49Å; E164-N167 VanDerWaalsContact O-N 3.08Å; R165-N167 VanDerWaalsContact C-N 3.28Å
168L93.1Very high92.4Very high7 Ų748.6 Ų48.64%0.03723%0.23CC..  trans-89.1135-178.4-62.7174000111.3F162 I163 E166 Q172 K286 V288F162-L168 HydrophobicContact CE1-CD1 3.9Å; F162-L168 HydrophobicContact CZ-CD1 4.23Å; I163-L168 HydrophobicContact CG2-CB 4.23Å; I163-L168 VanDerWaalsContact CG2-O 3.31Å; I163-L168 WeakPolarHBondContact CG2-O 3.48Å; I163-L168 PolarHBondContact O-N 3.29Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 HydrophobicContact CB-CD1 3.95Å; E166-L168 HydrophobicContact CB-CD2 4.47Å; E166-L168 HydrophobicContact CB-CG 3.76Å; E166-L168 PolarHBondContact O-N 3.08Å; L168-Q172 HydrophobicContact CB-CB 4.49Å; L168-Q172 HydrophobicContact CD2-CB 4.16Å; L168-K286 HydrophobicContact CD2-CB 4.42Å; L168-K286 HydrophobicContact CD2-CD 3.81Å; L168-K286 HydrophobicContact CD2-CG 3.87Å; L168-V288 HydrophobicContact CD1-CB 4.15Å; L168-V288 HydrophobicContact CD1-CG1 3.84Å
169Q92.6Very high92.4Very high83 Ų8344 Ų4439%0.38821%0.206SC..  trans-86.4158.2170.2-59.8-58.3-50.500111.1E171 Q172 L283Q169-E171 PolarHBondContact O-N 2.82Å; Q169-E171 VanDerWaalsContact O-N 3.08Å; Q169-Q172 WeakPolarHBondContact O-CA 3.32Å; Q169-Q172 WeakPolarHBondContact O-CB 3.36Å; Q169-Q172 PolarHBondContact O-N 2.92Å; Q169-L283 HydrophobicContact CG-CD2 4.43Å
170P92.2Very high92.3Very high39 Ų3943.8 Ų43.825%0.25321%0.205SC..G310 helixtrans-51.9-31.6174.7-29.438.2000114Q172 I173 A217 T218P170-Q172 PolarHBondContact O-N 3Å; P170-I173 PolarHBondContact O-N 3.42Å; P170-A217 HydrophobicContact CB-CB 4.41Å; P170-A217 WeakPolarHBondContact O-CB 3.19Å; P170-A217 PolarHBondContact O-N 3.28Å; P170-T218 HydrophobicContact CB-CG2 3.54Å
171E93.5Very high92.3Very high47 Ų4739.9 Ų39.922%0.2219%0.19CC..G310 helixtrans-66.9-18.8176-71.778.2-175.400114.4Q169 Y174 T218 Y277 L283Q169-E171 PolarHBondContact O-N 2.82Å; Q169-E171 VanDerWaalsContact O-N 3.08Å; E171-Y174 VanDerWaalsContact O-CE2 3.3Å; E171-Y174 WeakPolarHBondContact O-CE2 3.4Å; E171-Y174 PolarHBondContact O-OH 3.49Å; E171-T218 HydrophobicContact CG-CG2 4.27Å; E171-Y277 HydrophobicContact CB-CE1 4.31Å; E171-L283 HydrophobicContact CB-CD1 3.84Å; E171-L283 HydrophobicContact CG-CD1 4.46Å
172Q95.8Very high92.2Very high6 Ų637.5 Ų37.53%0.02818%0.175CC..G310 helixtrans-97.7-1.2-179.8-63.5174.1-80.100112.5L168 Q169 P170 L278 L283 Q284 K286 A287 V288L168-Q172 HydrophobicContact CB-CB 4.49Å; L168-Q172 HydrophobicContact CD2-CB 4.16Å; Q169-Q172 WeakPolarHBondContact O-CA 3.32Å; Q169-Q172 WeakPolarHBondContact O-CB 3.36Å; Q169-Q172 PolarHBondContact O-N 2.92Å; P170-Q172 PolarHBondContact O-N 3Å; Q172-L278 HydrophobicContact CG-CD1 4.38Å; Q172-L278 HydrophobicContact CG-CD2 3.67Å; Q172-L283 HydrophobicContact CG-CD1 4.49Å; Q172-Q284 PolarHBondContact NE2-O 3.46Å; Q172-K286 WeakPolarHBondContact CB-O 3.47Å; Q172-K286 VanDerWaalsContact CG-O 3.29Å; Q172-K286 WeakPolarHBondContact CG-O 3.37Å; Q172-K286 PolarHBondContact NE2-O 2.64Å; Q172-A287 CarbonylContact O-C 3.58Å; Q172-A287 WeakPolarHBondContact O-CA 3.14Å; Q172-A287 VanDerWaalsContact O-CB 3.32Å; Q172-A287 WeakPolarHBondContact O-CB 3.46Å; Q172-V288 PolarHBondContact O-N 3.34Å
173I96.2Very high91.9Very high2 Ų237.1 Ų37.11%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-106.1120-179.3-56.5170.3000107.8F159 I163 P170 N216 A217 V288 W385 L389F159-I173 HydrophobicContact CE1-CG2 4.35Å; F159-I173 HydrophobicContact CZ-CG2 4.13Å; I163-I173 HydrophobicContact CD1-CD1 3.52Å; I163-I173 HydrophobicContact CG1-CD1 3.85Å; I163-I173 HydrophobicContact CG2-CD1 4.32Å; P170-I173 PolarHBondContact O-N 3.42Å; I173-N216 CarbonylContact O-C 3.57Å; I173-N216 WeakPolarHBondContact O-CA 3.48Å; I173-A217 HydrophobicContact CB-CB 4.12Å; I173-A217 HydrophobicContact CG2-CB 4.37Å; I173-A217 PolarHBondContact O-N 3.39Å; I173-V288 HydrophobicContact CB-CG1 4.18Å; I173-V288 HydrophobicContact CG1-CG1 3.94Å; I173-V288 HydrophobicContact CG2-CG1 4.04Å; I173-W385 HydrophobicContact CG2-CH2 3.52Å; I173-W385 HydrophobicContact CG2-CZ2 4.28Å; I173-W385 HydrophobicContact CG2-CZ3 3.66Å; I173-L389 HydrophobicContact CD1-CD1 3.72Å; I173-L389 HydrophobicContact CG2-CD1 4.36Å
174Y97.1Very high91.4Very high0 Ų038 Ų380%018%0.177CC..EExtended strand (participates in β ladder)trans-118.3152.6-178.2-70.4-101.6000110.4E171 A215 N216 H221 L223 F270 V274 A287 V288 L290E171-Y174 VanDerWaalsContact O-CE2 3.3Å; E171-Y174 WeakPolarHBondContact O-CE2 3.4Å; E171-Y174 PolarHBondContact O-OH 3.49Å; Y174-A215 WeakPolarHBondContact CA-O 3.5Å; Y174-N216 HydrophobicContact CD1-CB 3.92Å; Y174-N216 HydrophobicContact CD2-CB 4.38Å; Y174-N216 HydrophobicContact CE1-CB 3.59Å; Y174-N216 HydrophobicContact CE2-CB 4.06Å; Y174-N216 HydrophobicContact CG-CB 4.29Å; Y174-H221 AromaticContact CE1-ND1 3.51Å; Y174-H221 AromaticContact CZ-ND1 3.59Å; Y174-H221 PolarHBondContact OH-ND1 3.1Å; Y174-L223 HydrophobicContact CD1-CD1 3.87Å; Y174-L223 HydrophobicContact CE1-CD1 3.57Å; Y174-F270 AromaticContact CD1-CE2 3.99Å; Y174-F270 HydrophobicContact CD1-CE2 3.99Å; Y174-F270 HydrophobicContact CD2-CE2 4.42Å; Y174-F270 HydrophobicContact CD2-CZ 4.3Å; Y174-F270 AromaticContact CG-CE2 3.83Å; Y174-F270 HydrophobicContact CG-CE2 3.83Å; Y174-F270 HydrophobicContact CG-CZ 4.08Å; Y174-V274 HydrophobicContact CD1-CG2 4.38Å; Y174-V274 HydrophobicContact CD2-CG2 4.48Å; Y174-V274 HydrophobicContact CE1-CG2 3.94Å; Y174-V274 HydrophobicContact CE2-CG1 3.92Å; Y174-V274 HydrophobicContact CE2-CG2 4.08Å; Y174-A287 HydrophobicContact CD2-CB 4.27Å; Y174-A287 HydrophobicContact CE2-CB 4.26Å; Y174-V288 PolarHBondContact N-O 3.31Å; Y174-L290 WeakPolarHBondContact O-CB 3.49Å; Y174-L290 PolarHBondContact O-N 2.84Å
175N96.3Very high90.7Very high2 Ų232.8 Ų32.81%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-126.1146.1165.4176.2-119.8000108.6C214 A215 L290 Q324 P325 S326 W385N175-C214 VanDerWaalsContact O-CA 3.3Å; N175-C214 WeakPolarHBondContact O-CA 3.29Å; N175-C214 PolarHBondContact O-SG 2.89Å; N175-C214 VanDerWaalsContact O-SG 3.38Å; N175-A215 PolarHBondContact N-O 2.7Å; N175-A215 PolarHBondContact O-N 3.48Å; N175-L290 WeakPolarHBondContact CA-O 3.29Å; N175-L290 PolarHBondContact ND2-O 3.05Å; N175-Q324 PolarHBondContact ND2-OE1 2.83Å; N175-P325 HydrophobicContact CB-CB 4.27Å; N175-P325 HydrophobicContact CB-CG 4.21Å; N175-S326 VanDerWaalsContact OD1-CB 3.31Å; N175-S326 WeakPolarHBondContact OD1-CB 3.35Å; N175-S326 PolarHBondContact OD1-N 2.86Å; N175-S326 PolarHBondContact OD1-OG 3.15Å; N175-W385 HydrophobicContact CB-CH2 3.71Å; N175-W385 HydrophobicContact CB-CZ2 3.3Å
176A94.4Very high89.5Confident0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-136.1147.8170.600000110.3M212 C213 C214 W265 L289 L290 L291 Q324A176-M212 HydrophobicContact CB-CG 4.41Å; A176-M212 HydrophobicContact CB-SD 4.33Å; A176-C213 WeakPolarHBondContact CA-O 3.34Å; A176-C213 WeakPolarHBondContact CB-O 3.38Å; A176-C214 HydrophobicContact CB-CB 3.85Å; A176-W265 HydrophobicContact CB-CH2 3.96Å; A176-L289 HydrophobicContact CB-CD1 3.88Å; A176-L290 PolarHBondContact N-O 2.94Å; A176-L291 HydrophobicContact CB-CD2 3.9Å; A176-Q324 PolarHBondContact O-NE2 2.82Å
177D91.7Very high88.3Confident10 Ų1023.6 Ų23.65%0.05312%0.121CC..EExtended strand (participates in β ladder)trans-158.2147.3-179.6-154.9-4.2000112.1M212 C213 Q324 S326 I331D177-M212 VanDerWaalsContact O-CA 3.29Å; D177-M212 WeakPolarHBondContact O-CA 3.48Å; D177-M212 WeakPolarHBondContact O-CG 3.43Å; D177-C213 PolarHBondContact N-O 2.88Å; D177-C213 VanDerWaalsContact N-O 3.14Å; D177-C213 PolarHBondContact O-N 3.3Å; D177-Q324 WeakPolarHBondContact OD2-CG 3.27Å; D177-Q324 PolarHBondContact OD2-NE2 2.92Å; D177-S326 VanDerWaalsContact CB-CB 3.46Å; D177-I331 HydrophobicContact CB-CD1 3.98Å
178E90.9Very high86.6Confident9 Ų920.6 Ų20.64%0.04211%0.11CC..EExtended strand (participates in β ladder)trans-101.6144.3-177.4-61.792.9163.200113T210 I211 M212 M257 F262 H297E178-T210 HydrophobicContact CB-CG2 4.18Å; E178-I211 CarbonylContact C-O 3.36Å; E178-I211 WeakPolarHBondContact CA-O 3.36Å; E178-M212 HydrophobicContact CG-CB 3.91Å; E178-M212 HydrophobicContact CG-CG 3.85Å; E178-M212 HydrophobicContact CG-SD 4.07Å; E178-M257 HydrophobicContact CG-CB 4.1Å; E178-M257 HydrophobicContact CG-CE 3.54Å; E178-M257 HydrophobicContact CG-CG 4.04Å; E178-M257 WeakPolarHBondContact OE1-CE 3.25Å; E178-M257 WeakPolarHBondContact OE1-CG 3.38Å; E178-F262 WeakPolarHBondContact OE1-CD2 3.46Å; E178-H297 IonicContact OE1-CD2 3.19Å; E178-H297 IonicContact OE1-NE2 2.77Å; E178-H297 PolarHBondContact OE1-NE2 3.45Å; E178-H297 VanDerWaalsContact OE1-NE2 3.07Å; E178-H297 IonicContact OE2-CE1 3.16Å; E178-H297 IonicContact OE2-NE2 3.1Å; E178-H297 PolarHBondContact OE2-NE2 2.78Å; E178-H297 VanDerWaalsContact OE2-NE2 3.15Å
179T90.1Very high84.4Confident8 Ų825.2 Ų25.25%0.04913%0.127CC..EExtended strand (participates in β ladder)trans-144.9148.9174.9-164.80000111.5T210 I211 I331 M334 K335T179-T210 WeakPolarHBondContact O-CA 3.32Å; T179-I211 HydrophobicContact CG2-CB 4.37Å; T179-I211 PolarHBondContact N-O 3.44Å; T179-I211 PolarHBondContact O-N 3.46Å; T179-I331 HydrophobicContact CG2-CG2 3.8Å; T179-M334 HydrophobicContact CG2-CE 4.46Å; T179-K335 VanDerWaalsContact OG1-CE 3.24Å; T179-K335 WeakPolarHBondContact OG1-CE 3.48Å; T179-K335 PolarHBondContact OG1-NZ 3.03Å
180G88.5Confident82.1Confident0 Ų023.4 Ų23.40%012%0.119CC..EExtended strand (participates in β ladder)trans-78.4140.8167.500000111.6K335 E438G180-K335 VanDerWaalsContact O-CE 3.28Å; G180-K335 WeakPolarHBondContact O-CE 3.38Å; G180-K335 PolarHBondContact O-NZ 2.87Å; G180-E438 PolarHBondContact N-O 2.76Å
181L88.6Confident79.6Confident0 Ų024.4 Ų24.40%013%0.127CC..EExtended strand (participates in β ladder)trans-126.6125168.5-177.676.8000110.1W183 V209 I211 K335 Y338 I369 D435L181-W183 HydrophobicContact CD2-CB 4.35Å; L181-W183 PolarHBondContact O-N 2.95Å; L181-V209 HydrophobicContact CB-CG2 4.19Å; L181-V209 PolarHBondContact N-O 3.41Å; L181-V209 PolarHBondContact O-N 3.49Å; L181-I211 HydrophobicContact CB-CD1 3.6Å; L181-I211 HydrophobicContact CB-CG1 4.31Å; L181-I211 HydrophobicContact CD2-CD1 3.48Å; L181-I211 VanDerWaalsContact CD2-CD1 3.48Å; L181-I211 HydrophobicContact CG-CD1 4.12Å; L181-K335 HydrophobicContact CD1-CG 4.19Å; L181-Y338 HydrophobicContact CD1-CD1 3.99Å; L181-Y338 HydrophobicContact CD1-CE1 4.35Å; L181-Y338 HydrophobicContact CD2-CD1 3.97Å; L181-Y338 HydrophobicContact CD2-CD2 4.25Å; L181-Y338 HydrophobicContact CD2-CE1 3.96Å; L181-Y338 HydrophobicContact CD2-CE2 4.21Å; L181-Y338 HydrophobicContact CD2-CG 4.13Å; L181-Y338 HydrophobicContact CG-CD1 4.48Å; L181-Y338 HydrophobicContact CG-CE1 4.45Å; L181-I369 HydrophobicContact CD2-CD1 3.75Å; L181-I369 HydrophobicContact CD2-CG1 3.69Å; L181-D435 WeakPolarHBondContact CD1-OD2 3.21Å
182F87.5Confident76.6Confident46 Ų4628.2 Ų28.220%0.20215%0.153CC..  trans-85.986168.9-62.2-62.1000109.9K184 C185 R208 R339 D435 E438F182-K184 PolarHBondContact O-N 3.46Å; F182-C185 HydrophobicContact CB-CB 3.78Å; F182-C185 WeakPolarHBondContact O-CB 3.19Å; F182-C185 PolarHBondContact O-N 3.21Å; F182-R208 HydrophobicContact CD1-CB 3.96Å; F182-R208 HydrophobicContact CD1-CG 4.3Å; F182-R208 HydrophobicContact CE1-CB 3.99Å; F182-R208 HydrophobicContact CE1-CG 4.12Å; F182-R339 VanDerWaalsContact O-CZ 3.28Å; F182-R339 PolarHBondContact O-NH1 3.38Å; F182-R339 PolarHBondContact O-NH2 3.28Å; F182-D435 HydrophobicContact CD2-CB 3.82Å; F182-D435 HydrophobicContact CE2-CB 4.09Å; F182-E438 HydrophobicContact CE2-CG 3.74Å; F182-E438 HydrophobicContact CZ-CG 3.94Å
183W85.1Confident73.6Confident10 Ų1033.5 Ų33.54%0.03818%0.18CC..THydrogen-bonded Turntrans-64.9-24.1-168.562.9-89.9000113.8L181 E207 Y338 L360 L362 A365L181-W183 HydrophobicContact CD2-CB 4.35Å; L181-W183 PolarHBondContact O-N 2.95Å; W183-E207 WeakPolarHBondContact CH2-OE2 3.43Å; W183-E207 HydrophobicContact CZ2-CB 3.69Å; W183-E207 HydrophobicContact CZ2-CG 3.77Å; W183-E207 WeakPolarHBondContact CZ2-OE2 3.39Å; W183-E207 PolarHBondContact NE1-O 3.44Å; W183-Y338 WeakPolarHBondContact CA-OH 3.45Å; W183-Y338 WeakPolarHBondContact CB-OH 3.48Å; W183-Y338 PolarHBondContact O-OH 2.86Å; W183-L360 HydrophobicContact CE3-CD2 4.34Å; W183-L360 HydrophobicContact CZ3-CD2 4.42Å; W183-L360 HydrophobicContact CZ3-CG 4.22Å; W183-L362 HydrophobicContact CD2-CD1 4.31Å; W183-L362 HydrophobicContact CH2-CB 4.07Å; W183-L362 HydrophobicContact CZ2-CB 4.06Å; W183-L362 HydrophobicContact CZ2-CD1 4.32Å; W183-A365 HydrophobicContact CB-CB 4.08Å; W183-A365 HydrophobicContact CD2-CB 4.06Å; W183-A365 HydrophobicContact CE3-CB 3.58Å; W183-A365 HydrophobicContact CG-CB 4.3Å; W183-A365 HydrophobicContact CZ3-CB 4.3Å
184K80.6Confident70.5Confident40 Ų4041.9 Ų41.917%0.17422%0.217CC..THydrogen-bonded Turntrans-97.914.4173-75.7-137-174.8110.60116F182 E207 W357 L360F182-K184 PolarHBondContact O-N 3.46Å; K184-E207 HydrophobicContact CB-CB 4.5Å; K184-E207 WeakPolarHBondContact CD-OE2 3.43Å; K184-E207 WeakPolarHBondContact CE-OE2 3.39Å; K184-E207 WeakPolarHBondContact CG-OE2 3.26Å; K184-E207 IonicContact NZ-OE1 3.87Å; K184-E207 PolarHBondContact NZ-OE1 3.23Å; K184-E207 IonicContact NZ-OE2 3.67Å; K184-E207 PolarHBondContact NZ-OE2 3.02Å; K184-W357 HydrophobicContact CB-CZ2 4.25Å; K184-W357 HydrophobicContact CD-CD2 4.41Å; K184-W357 HydrophobicContact CD-CZ2 3.87Å; K184-W357 PolarHBondContact O-NE1 3.17Å; K184-L360 WeakPolarHBondContact CE-O 3.44Å; K184-L360 HydrophobicContact CG-CD2 4.24Å; K184-L360 PolarHBondContact NZ-O 3.42Å
185C76.7Confident67.3Low35 Ų3545.5 Ų45.524%0.23625%0.254CS..  trans-79.1127.1-178.7-172.10000113.2F182 R339 W431F182-C185 HydrophobicContact CB-CB 3.78Å; F182-C185 WeakPolarHBondContact O-CB 3.19Å; F182-C185 PolarHBondContact O-N 3.21Å; C185-R339 PolarHBondContact O-NH1 3.27Å; C185-W431 PolarHBondContact O-NE1 2.99Å
186L67.8Low64Low32 Ų3253.6 Ų53.617%0.16829%0.289CS..  trans-106.6157.6176.9-70.7176.9000112.3I190 L353 W357 W431L186-I190 HydrophobicContact CD1-CD1 3.89Å; L186-L353 HydrophobicContact CD1-CD2 4.18Å; L186-L353 HydrophobicContact CD1-CG 4.23Å; L186-L353 HydrophobicContact CD2-CD1 4.05Å; L186-L353 HydrophobicContact CD2-CD2 4.33Å; L186-L353 HydrophobicContact CD2-CG 4.33Å; L186-W357 HydrophobicContact CD1-CB 4.25Å; L186-W357 HydrophobicContact CD1-CG 3.96Å; L186-W431 VanDerWaalsContact C-CD1 3.45Å; L186-W431 VanDerWaalsContact C-NE1 3.3Å
187P65.1Low61Low1 Ų157.7 Ų57.71%0.00632%0.317CS..  trans-58.5142.9174.6-20.530.3000112.9R189 L414 L420 V423 W431P187-R189 PolarHBondContact O-N 3.14Å; P187-L414 HydrophobicContact CG-CD2 4.3Å; P187-L420 HydrophobicContact CB-CD2 4.37Å; P187-L420 HydrophobicContact CG-CD1 4.2Å; P187-V423 HydrophobicContact CB-CG1 4.38Å; P187-V423 HydrophobicContact CB-CG2 4.19Å; P187-W431 HydrophobicContact CB-CB 4.46Å; P187-W431 HydrophobicContact CB-CD2 4.22Å; P187-W431 HydrophobicContact CB-CG 4.17Å; P187-W431 HydrophobicContact CG-CD2 3.63Å; P187-W431 HydrophobicContact CG-CE3 3.84Å; P187-W431 HydrophobicContact CG-CG 4.07Å; P187-W431 HydrophobicContact CG-CH2 4.12Å; P187-W431 HydrophobicContact CG-CZ2 3.95Å; P187-W431 HydrophobicContact CG-CZ3 4.09Å
188S54Low57.9Low56 Ų5662.3 Ų62.339%0.39235%0.346SS..THydrogen-bonded Turntrans-73.879.5-171.637.40000113.7
189R47.5Very low54.8Low104 Ų10467.1 Ų67.139%0.39238%0.375SS..THydrogen-bonded Turntrans-132.6-23149-84.8-172.1162.1-154.4-1.6113.1P187 N422P187-R189 PolarHBondContact O-N 3.14Å; R189-N422 VanDerWaalsContact CZ-C 3.44Å; R189-N422 VanDerWaalsContact CZ-CB 3.48Å; R189-N422 PolarHBondContact NE-O 2.93Å; R189-N422 PolarHBondContact NH1-ND2 3.34Å; R189-N422 PolarHBondContact NH1-O 3.13Å; R189-N422 PolarHBondContact NH2-O 3.39Å
190I44.6Very low51.8Low44 Ų4473.1 Ų73.123%0.22641%0.414CS..G310 helixtrans-78.9-23.3-177-61.1168.8000112.6L186 V192 I193 L353 L420L186-I190 HydrophobicContact CD1-CD1 3.89Å; I190-V192 PolarHBondContact O-N 3.42Å; I190-V192 VanDerWaalsContact O-N 3.14Å; I190-I193 PolarHBondContact O-N 3.05Å; I190-L353 HydrophobicContact CD1-CD2 3.49Å; I190-L353 VanDerWaalsContact CD1-CD2 3.49Å; I190-L353 HydrophobicContact CD1-CG 4.43Å; I190-L420 HydrophobicContact CD1-CD2 4.31Å
191S38.7Very low49Very low60 Ų6076.6 Ų76.642%0.4245%0.45SS..G310 helixtrans-64.4-14.3176-71.30000114.8C197S191-C197 VanDerWaalsContact CB-SG 3.51Å
192V31.1Very low46.2Very low128 Ų12884.4 Ų84.478%0.77649%0.486SS*.G310 helixtrans-85-17.5175.6-172.40000111.8I190I190-V192 PolarHBondContact O-N 3.42Å; I190-V192 VanDerWaalsContact O-N 3.14Å
193I33.1Very low43.9Very low116 Ų11689 Ų8960%0.59551%0.506SS*.THydrogen-bonded Turntrans-87-8.5-173.4-61.7176.8000113.1I190I190-I193 PolarHBondContact O-N 3.05Å
194K30.9Very low41.7Very low179 Ų17993.1 Ų93.178%0.77854%0.537SS*.THydrogen-bonded Turntrans-139.1112.3161.6-79.3-173.6173.6-175.60107.9K196K194-K196 VanDerWaalsContact C-N 3.26Å; K194-K196 PolarHBondContact O-N 3.37Å
195G29.2Very low40.1Very low76 Ų7697.3 Ų97.378%0.78456%0.56SS**THydrogen-bonded Turntrans-52.377.9-17800000115.3
196K27.7Very low39Very low172 Ų172102.8 Ų102.875%0.74858%0.582SS**  trans-140.227.1170.5-81.3-164.1176.2-173.20111.7K194K194-K196 VanDerWaalsContact C-N 3.26Å; K194-K196 PolarHBondContact O-N 3.37Å
197C31.6Very low39.3Very low86 Ų86105 Ų10558%0.58159%0.591SS**  trans-115.878.7157.1-80.60000108.1S191S191-C197 VanDerWaalsContact CB-SG 3.51Å
198T26.1Very low40.2Very low106 Ų106106 Ų10665%0.6560%0.595SS**  trans-127.3138.3163.837.70000108.6
199V25.7Very low41.9Very low110 Ų110103.4 Ų103.467%0.66758%0.577SS**  trans80.3120.5175.3-136.70000117.7G201 H202V199-G201 PolarHBondContact O-N 3.37Å; V199-G201 VanDerWaalsContact O-N 3.12Å; V199-H202 PolarHBondContact O-N 3.45Å
200P27.3Very low44.1Very low134 Ų13498.4 Ų98.487%0.8756%0.558SS**THydrogen-bonded Turntrans-57.4114.7158.8-13.726.9000108.2
201G30.8Very low46.4Very low73 Ų7396.3 Ų96.375%0.75355%0.547SS*.THydrogen-bonded Turntrans115.11.7-178.400000116V199V199-G201 PolarHBondContact O-N 3.37Å; V199-G201 VanDerWaalsContact O-N 3.12Å
202H29.5Very low49.1Very low164 Ų16493.6 Ų93.676%0.75953%0.528SS*.  trans-12789.3164.9-100.450.1000109.9V199V199-H202 PolarHBondContact O-N 3.45Å
203K39.1Very low52.1Low143 Ų14387.5 Ų87.562%0.62249%0.491SS*.  trans-65.9131.9171.4-75.2177.5175.71730108.2I205 E438K203-I205 VanDerWaalsContact C-N 3.31Å; K203-I205 PolarHBondContact O-N 2.93Å; K203-E438 IonicContact NZ-OE1 3.91Å; K203-E438 PolarHBondContact NZ-OE1 3.02Å
204S38.1Very low55.2Low96 Ų9682.1 Ų82.167%0.67146%0.464SS*.  trans-64.195.6164.450.60000108.8
205I47.4Very low58.3Low129 Ų12974 Ų7466%0.66243%0.429SS*.  trans-55.2139.9164.2-62159.3000105.4K203K203-I205 VanDerWaalsContact C-N 3.31Å; K203-I205 PolarHBondContact O-N 2.93Å
206E54.5Low61.5Low150 Ų15070.3 Ų70.370%0.70139%0.392SS*.SBend-162.1-13.590.5-89.3154.1-161.100115.9K230E206-K230 PolarHBondContact O-NZ 3.4Å
207E73.4Confident64.6Low77 Ų7762.1 Ų62.136%0.3636%0.356SS..  trans-12780.8-167.8-73-173.7152.600112.9W183 K184W183-E207 WeakPolarHBondContact CH2-OE2 3.43Å; W183-E207 HydrophobicContact CZ2-CB 3.69Å; W183-E207 HydrophobicContact CZ2-CG 3.77Å; W183-E207 WeakPolarHBondContact CZ2-OE2 3.39Å; W183-E207 PolarHBondContact NE1-O 3.44Å; K184-E207 HydrophobicContact CB-CB 4.5Å; K184-E207 WeakPolarHBondContact CD-OE2 3.43Å; K184-E207 WeakPolarHBondContact CE-OE2 3.39Å; K184-E207 WeakPolarHBondContact CG-OE2 3.26Å; K184-E207 IonicContact NZ-OE1 3.87Å; K184-E207 PolarHBondContact NZ-OE1 3.23Å; K184-E207 IonicContact NZ-OE2 3.67Å; K184-E207 PolarHBondContact NZ-OE2 3.02Å
208R84.3Confident67.5Low22 Ų2259.1 Ų59.18%0.08334%0.335CS..  trans-110145.1174.8175.8-179.7170.2-81.4-21109.7F182 T210 G254 A255 W256 E438F182-R208 HydrophobicContact CD1-CB 3.96Å; F182-R208 HydrophobicContact CD1-CG 4.3Å; F182-R208 HydrophobicContact CE1-CB 3.99Å; F182-R208 HydrophobicContact CE1-CG 4.12Å; R208-T210 PolarHBondContact NH2-OG1 3.05Å; R208-G254 PolarHBondContact NH1-O 2.91Å; R208-A255 PolarHBondContact NH1-O 2.85Å; R208-A255 VanDerWaalsContact NH1-O 3.15Å; R208-W256 VanDerWaalsContact NH1-CE2 3.28Å; R208-W256 VanDerWaalsContact NH1-CZ3 3.27Å; R208-E438 IonicContact NE-OE2 3.99Å
209V90.4Very high70.6Confident2 Ų254.2 Ų54.21%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-126.1151163.8-66.80000109.4L181 I211 V227 V228 L362 I369L181-V209 HydrophobicContact CB-CG2 4.19Å; L181-V209 PolarHBondContact N-O 3.41Å; L181-V209 PolarHBondContact O-N 3.49Å; V209-I211 HydrophobicContact CG2-CD1 4.38Å; V209-I211 HydrophobicContact CG2-CG1 4.18Å; V209-V227 HydrophobicContact CB-CG1 3.95Å; V209-V227 HydrophobicContact CG1-CG1 4.31Å; V209-V227 HydrophobicContact CG2-CG1 4.26Å; V209-V228 WeakPolarHBondContact CA-O 3.41Å; V209-L362 HydrophobicContact CG1-CD1 3.86Å; V209-I369 HydrophobicContact CG2-CD1 4.22Å
210T91.9Very high73.7Confident0 Ų054 Ų540%030%0.3CS..EExtended strand (participates in β ladder)trans-94.3135.5166.5-62.20000108.7E178 T179 R208 V227 V228 A255 M257 G440E178-T210 HydrophobicContact CB-CG2 4.18Å; T179-T210 WeakPolarHBondContact O-CA 3.32Å; R208-T210 PolarHBondContact NH2-OG1 3.05Å; T210-V227 CarbonylContact O-C 3.57Å; T210-V227 VanDerWaalsContact O-CA 3.31Å; T210-V227 WeakPolarHBondContact O-CA 3.39Å; T210-V228 PolarHBondContact N-O 3.22Å; T210-V228 PolarHBondContact O-N 3.33Å; T210-A255 WeakPolarHBondContact CB-O 3.37Å; T210-A255 PolarHBondContact OG1-O 3.04Å; T210-M257 HydrophobicContact CG2-CB 4.25Å; T210-G440 WeakPolarHBondContact CG2-O 3.5Å; T210-G440 PolarHBondContact OG1-O 3.3Å
211I94.2Very high76.9Confident0 Ų048.9 Ų48.90%026%0.264CS..EExtended strand (participates in β ladder)trans-121.4131.4177.9-55.1173.2000107.6E178 T179 L181 V209 L225 C226 V227 M334 I369E178-I211 CarbonylContact C-O 3.36Å; E178-I211 WeakPolarHBondContact CA-O 3.36Å; T179-I211 HydrophobicContact CG2-CB 4.37Å; T179-I211 PolarHBondContact N-O 3.44Å; T179-I211 PolarHBondContact O-N 3.46Å; L181-I211 HydrophobicContact CB-CD1 3.6Å; L181-I211 HydrophobicContact CB-CG1 4.31Å; L181-I211 HydrophobicContact CD2-CD1 3.48Å; L181-I211 VanDerWaalsContact CD2-CD1 3.48Å; L181-I211 HydrophobicContact CG-CD1 4.12Å; V209-I211 HydrophobicContact CG2-CD1 4.38Å; V209-I211 HydrophobicContact CG2-CG1 4.18Å; I211-L225 HydrophobicContact CG2-CB 4.48Å; I211-L225 HydrophobicContact CG2-CD1 3.91Å; I211-L225 HydrophobicContact CG2-CD2 3.94Å; I211-L225 HydrophobicContact CG2-CG 4.35Å; I211-C226 CarbonylContact C-O 3.55Å; I211-C226 WeakPolarHBondContact CA-O 3.28Å; I211-V227 HydrophobicContact CG1-CG2 4.33Å; I211-M334 HydrophobicContact CD1-CE 4.24Å; I211-M334 HydrophobicContact CG2-CE 4.02Å; I211-I369 HydrophobicContact CD1-CD1 3.84Å; I211-I369 HydrophobicContact CD1-CG1 3.99Å; I211-I369 HydrophobicContact CD1-CG2 3.86Å
212M95.2Very high80Confident3 Ų347.6 Ų47.62%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-110.7123.2169.2-170.5176.850.400109.8A176 D177 E178 L225 C226 M257 F262 W265A176-M212 HydrophobicContact CB-CG 4.41Å; A176-M212 HydrophobicContact CB-SD 4.33Å; D177-M212 VanDerWaalsContact O-CA 3.29Å; D177-M212 WeakPolarHBondContact O-CA 3.48Å; D177-M212 WeakPolarHBondContact O-CG 3.43Å; E178-M212 HydrophobicContact CG-CB 3.91Å; E178-M212 HydrophobicContact CG-CG 3.85Å; E178-M212 HydrophobicContact CG-SD 4.07Å; M212-L225 WeakPolarHBondContact O-CD2 3.16Å; M212-C226 HydrophobicContact CB-CB 4Å; M212-C226 HydrophobicContact CE-CB 3.76Å; M212-C226 PolarHBondContact N-O 3.08Å; M212-C226 PolarHBondContact O-N 3.25Å; M212-M257 HydrophobicContact CB-CE 3.84Å; M212-M257 HydrophobicContact CE-CE 3.62Å; M212-M257 HydrophobicContact CG-CE 4.21Å; M212-M257 HydrophobicContact SD-CE 3.51Å; M212-M257 VanDerWaalsContact SD-CE 3.51Å; M212-F262 HydrophobicContact CE-CD2 4.47Å; M212-F262 HydrophobicContact CE-CE2 4.46Å; M212-F262 HydrophobicContact SD-CD2 3.89Å; M212-F262 HydrophobicContact SD-CE2 3.62Å; M212-W265 HydrophobicContact CE-CB 4.27Å; M212-W265 HydrophobicContact CE-CD2 3.16Å; M212-W265 HydrophobicContact CE-CE3 3.48Å; M212-W265 VanDerWaalsContact CE-CE3 3.48Å; M212-W265 HydrophobicContact CE-CG 3.49Å; M212-W265 VanDerWaalsContact CE-CG 3.49Å; M212-W265 HydrophobicContact CE-CH2 4.06Å; M212-W265 HydrophobicContact CE-CZ2 3.79Å; M212-W265 HydrophobicContact CE-CZ3 3.92Å; M212-W265 HydrophobicContact SD-CE3 4.41Å; M212-W265 HydrophobicContact SD-CZ3 4.4Å
213C94.6Very high83.1Confident0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-92.6143.5175.4-56.80000109A176 D177 L225 W373A176-C213 WeakPolarHBondContact CA-O 3.34Å; A176-C213 WeakPolarHBondContact CB-O 3.38Å; D177-C213 PolarHBondContact N-O 2.88Å; D177-C213 VanDerWaalsContact N-O 3.14Å; D177-C213 PolarHBondContact O-N 3.3Å; C213-L225 HydrophobicContact CB-CD2 4.17Å; C213-W373 HydrophobicContact CB-CH2 3.95Å; C213-W373 HydrophobicContact CB-CZ2 4.43Å; C213-W373 HydrophobicContact CB-CZ3 4.01Å
214C96.8Very high85.6Confident3 Ų336.1 Ų36.12%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-147.3127172.2-177.80000110.6N175 A176 L223 W265N175-C214 VanDerWaalsContact O-CA 3.3Å; N175-C214 WeakPolarHBondContact O-CA 3.29Å; N175-C214 PolarHBondContact O-SG 2.89Å; N175-C214 VanDerWaalsContact O-SG 3.38Å; A176-C214 HydrophobicContact CB-CB 3.85Å; C214-L223 HydrophobicContact CB-CB 4.24Å; C214-L223 HydrophobicContact CB-CD2 4.47Å; C214-L223 PolarHBondContact O-N 2.96Å; C214-W265 HydrophobicContact CB-CH2 4.17Å; C214-W265 HydrophobicContact CB-CZ2 3.76Å
215A96.8Very high88.2Confident7 Ų731.8 Ų31.86%0.05816%0.155CC..EExtended strand (participates in β ladder)trans-146.6157.5178.800000111.2Y174 N175 H221 K222 W373 I381Y174-A215 WeakPolarHBondContact CA-O 3.5Å; N175-A215 PolarHBondContact N-O 2.7Å; N175-A215 PolarHBondContact O-N 3.48Å; A215-H221 WeakPolarHBondContact CA-O 2.91Å; A215-K222 HydrophobicContact CB-CG 4.17Å; A215-W373 HydrophobicContact CB-CH2 4.13Å; A215-W373 HydrophobicContact CB-CZ2 4.14Å; A215-I381 HydrophobicContact CB-CD1 3.87Å; A215-I381 HydrophobicContact CB-CG2 4.1Å
216N95.8Very high90.5Very high0 Ų025.7 Ų25.70%012%0.124CC..EExtended strand (participates in β ladder)trans-78.6167.3172.573.4-14.9000112.3I173 Y174 T218 G219 L220 H221 I381I173-N216 CarbonylContact O-C 3.57Å; I173-N216 WeakPolarHBondContact O-CA 3.48Å; Y174-N216 HydrophobicContact CD1-CB 3.92Å; Y174-N216 HydrophobicContact CD2-CB 4.38Å; Y174-N216 HydrophobicContact CE1-CB 3.59Å; Y174-N216 HydrophobicContact CE2-CB 4.06Å; Y174-N216 HydrophobicContact CG-CB 4.29Å; N216-T218 PolarHBondContact ND2-OG1 3.38Å; N216-T218 PolarHBondContact O-N 2.9Å; N216-T218 PolarHBondContact OD1-OG1 2.93Å; N216-G219 PolarHBondContact O-N 2.95Å; N216-G219 WeakPolarHBondContact OD1-CA 3.35Å; N216-G219 PolarHBondContact OD1-N 3.21Å; N216-L220 PolarHBondContact OD1-N 3.2Å; N216-L220 VanDerWaalsContact OD1-N 3.11Å; N216-H221 HydrophobicContact CB-CB 4.42Å; N216-H221 PolarHBondContact N-O 3.09Å; N216-H221 PolarHBondContact OD1-N 3.12Å; N216-H221 PolarHBondContact OD1-O 2.94Å; N216-I381 WeakPolarHBondContact O-CG2 3.31Å
217A93.9Very high92.3Very high0 Ų018.5 Ų18.50%09%0.091CC..THydrogen-bonded Turntrans-64.5-25.2-174.300000114.1P170 I173 S382 W385 L389 I392P170-A217 HydrophobicContact CB-CB 4.41Å; P170-A217 WeakPolarHBondContact O-CB 3.19Å; P170-A217 PolarHBondContact O-N 3.28Å; I173-A217 HydrophobicContact CB-CB 4.12Å; I173-A217 HydrophobicContact CG2-CB 4.37Å; I173-A217 PolarHBondContact O-N 3.39Å; A217-S382 WeakPolarHBondContact O-CA 3.37Å; A217-W385 HydrophobicContact CB-CD2 3.84Å; A217-W385 HydrophobicContact CB-CE3 4.35Å; A217-W385 HydrophobicContact CB-CG 4Å; A217-W385 HydrophobicContact CB-CZ2 4.24Å; A217-L389 HydrophobicContact CB-CD1 4.36Å; A217-I392 HydrophobicContact CB-CD1 3.76Å
218T91.1Very high93.2Very high23 Ų2314.9 Ų14.914%0.1417%0.074CC..THydrogen-bonded Turntrans-83.2-13.1175.661.70000113.8P170 E171 N216 L220P170-T218 HydrophobicContact CB-CG2 3.54Å; E171-T218 HydrophobicContact CG-CG2 4.27Å; N216-T218 PolarHBondContact ND2-OG1 3.38Å; N216-T218 PolarHBondContact O-N 2.9Å; N216-T218 PolarHBondContact OD1-OG1 2.93Å; T218-L220 PolarHBondContact O-N 3.04Å; T218-L220 WeakPolarHBondContact OG1-CG 3.43Å; T218-L220 PolarHBondContact OG1-N 3.2Å
219G90.9Very high93.3Very high2 Ų213.9 Ų13.92%0.0217%0.07CC..SBendtrans70.51.4-172.400000114.9N216 H221N216-G219 PolarHBondContact O-N 2.95Å; N216-G219 WeakPolarHBondContact OD1-CA 3.35Å; N216-G219 PolarHBondContact OD1-N 3.21Å; G219-H221 VanDerWaalsContact C-N 3.33Å
220L92Very high93Very high107 Ų10718.2 Ų18.256%0.569%0.089SC*.SBendtrans-75.7-23.5-179.8-64.2179.3000112.8N216 T218N216-L220 PolarHBondContact OD1-N 3.2Å; N216-L220 VanDerWaalsContact OD1-N 3.11Å; T218-L220 PolarHBondContact O-N 3.04Å; T218-L220 WeakPolarHBondContact OG1-CG 3.43Å; T218-L220 PolarHBondContact OG1-N 3.2Å
221H95.3Very high92.6Very high25 Ų2520.5 Ų20.512%0.11611%0.108CC..  trans-120.9108.7175-172.1-144.5000110Y174 A215 N216 G219 Y277Y174-H221 AromaticContact CE1-ND1 3.51Å; Y174-H221 AromaticContact CZ-ND1 3.59Å; Y174-H221 PolarHBondContact OH-ND1 3.1Å; A215-H221 WeakPolarHBondContact CA-O 2.91Å; N216-H221 HydrophobicContact CB-CB 4.42Å; N216-H221 PolarHBondContact N-O 3.09Å; N216-H221 PolarHBondContact OD1-N 3.12Å; N216-H221 PolarHBondContact OD1-O 2.94Å; G219-H221 VanDerWaalsContact C-N 3.33Å; H221-Y277 HydrophobicContact CB-CD1 3.95Å; H221-Y277 HydrophobicContact CB-CD2 3.88Å; H221-Y277 HydrophobicContact CB-CE1 3.78Å; H221-Y277 HydrophobicContact CB-CE2 3.7Å; H221-Y277 HydrophobicContact CB-CG 4Å; H221-Y277 AromaticContact CD2-CD2 3.72Å; H221-Y277 AromaticContact CD2-CG 3.9Å; H221-Y277 VanDerWaalsContact CE1-CB 3.42Å; H221-Y277 WeakPolarHBondContact CE1-CB 3.27Å; H221-Y277 AromaticContact CE1-CG 3.78Å; H221-Y277 AromaticContact CG-CD1 3.83Å; H221-Y277 AromaticContact CG-CD2 3.61Å; H221-Y277 AromaticContact CG-CE2 3.99Å; H221-Y277 AromaticContact CG-CG 3.52Å; H221-Y277 AromaticContact ND1-CD1 3.6Å; H221-Y277 AromaticContact ND1-CG 3.44Å
222K95Very high91.8Very high47 Ų4728.7 Ų28.720%0.20414%0.143CC..BIsolated β-bridgetrans-105.3124.5171.2-68-173.9-66-1720108.2A215 W373 N374 V376 I381A215-K222 HydrophobicContact CB-CG 4.17Å; K222-W373 HydrophobicContact CB-CZ2 3.8Å; K222-W373 HydrophobicContact CD-CD2 4.34Å; K222-W373 HydrophobicContact CD-CH2 4.28Å; K222-W373 HydrophobicContact CD-CZ2 3.87Å; K222-W373 HydrophobicContact CG-CH2 4.41Å; K222-W373 HydrophobicContact CG-CZ2 3.78Å; K222-W373 PolarHBondContact NZ-O 3.19Å; K222-N374 VanDerWaalsContact NZ-C 3.32Å; K222-N374 PolarHBondContact NZ-O 2.91Å; K222-V376 PolarHBondContact NZ-O 2.9Å; K222-I381 HydrophobicContact CD-CD1 3.77Å; K222-I381 HydrophobicContact CG-CD1 3.86Å
223L94.7Very high91.1Very high2 Ų234.7 Ų34.71%0.0117%0.169CC..PPolyproline II helixtrans-75.1158.6176.6-83.173.4000110.4Y174 C214 L225 W265 F270 Q273 V274 W373Y174-L223 HydrophobicContact CD1-CD1 3.87Å; Y174-L223 HydrophobicContact CE1-CD1 3.57Å; C214-L223 HydrophobicContact CB-CB 4.24Å; C214-L223 HydrophobicContact CB-CD2 4.47Å; C214-L223 PolarHBondContact O-N 2.96Å; L223-L225 PolarHBondContact O-N 3.04Å; L223-W265 HydrophobicContact CD2-CZ2 4.24Å; L223-F270 HydrophobicContact CD2-CB 4.27Å; L223-F270 HydrophobicContact CD2-CD2 3.56Å; L223-F270 HydrophobicContact CD2-CE2 4.35Å; L223-F270 HydrophobicContact CD2-CG 4.35Å; L223-Q273 HydrophobicContact CG-CB 4.47Å; L223-V274 HydrophobicContact CD1-CG2 4.46Å; L223-W373 PolarHBondContact O-NE1 2.9Å
224K91.4Very high90.3Very high64 Ų6435.5 Ų35.528%0.27818%0.175SC..PPolyproline II helixtrans-59122.6169.4-167.2179.3-169.5-165.90109.6C226 L245 P246 V247K224-C226 PolarHBondContact O-N 3.12Å; K224-L245 WeakPolarHBondContact CE-O 2.91Å; K224-L245 PolarHBondContact NZ-O 3.21Å; K224-P246 WeakPolarHBondContact CE-O 3.07Å; K224-P246 WeakPolarHBondContact CG-O 3.16Å; K224-V247 WeakPolarHBondContact CE-O 3.35Å; K224-V247 PolarHBondContact NZ-O 3.5Å
225L93.6Very high89.3Confident4 Ų442.1 Ų42.12%0.02120%0.199CC..PPolyproline II helixtrans-54.2138.9-178.1-74.8179.8000111.8I211 M212 C213 L223 V227 V247 S248 I369 W373I211-L225 HydrophobicContact CG2-CB 4.48Å; I211-L225 HydrophobicContact CG2-CD1 3.91Å; I211-L225 HydrophobicContact CG2-CD2 3.94Å; I211-L225 HydrophobicContact CG2-CG 4.35Å; M212-L225 WeakPolarHBondContact O-CD2 3.16Å; C213-L225 HydrophobicContact CB-CD2 4.17Å; L223-L225 PolarHBondContact O-N 3.04Å; L225-V227 HydrophobicContact CB-CG2 4.47Å; L225-V247 HydrophobicContact CB-CG1 4.12Å; L225-S248 PolarHBondContact O-N 3.17Å; L225-I369 HydrophobicContact CD1-CG2 3.36Å; L225-W373 HydrophobicContact CD1-CB 3.59Å; L225-W373 HydrophobicContact CD1-CG 3.88Å; L225-W373 HydrophobicContact CD2-CB 4.43Å; L225-W373 HydrophobicContact CD2-CD2 3.88Å; L225-W373 HydrophobicContact CD2-CE3 4.47Å; L225-W373 HydrophobicContact CD2-CG 3.84Å; L225-W373 HydrophobicContact CG-CB 3.98Å; L225-W373 HydrophobicContact CG-CD2 4.28Å; L225-W373 HydrophobicContact CG-CG 3.69Å
226C94.2Very high88.2Confident1 Ų143.3 Ų43.31%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-89.9125.8167.2-175.70000108.2I211 M212 K224 S248 F250 W265I211-C226 CarbonylContact C-O 3.55Å; I211-C226 WeakPolarHBondContact CA-O 3.28Å; M212-C226 HydrophobicContact CB-CB 4Å; M212-C226 HydrophobicContact CE-CB 3.76Å; M212-C226 PolarHBondContact N-O 3.08Å; M212-C226 PolarHBondContact O-N 3.25Å; K224-C226 PolarHBondContact O-N 3.12Å; C226-S248 WeakPolarHBondContact CA-O 3.01Å; C226-F250 WeakPolarHBondContact SG-CD2 3.4Å; C226-F250 WeakPolarHBondContact SG-CE2 3.43Å; C226-W265 HydrophobicContact CB-CG 4.41Å
227V93.8Very high87.4Confident0 Ų043.3 Ų43.30%021%0.207CC..EExtended strand (participates in β ladder)trans-123.7126.1177.8-177.70000109.6V209 T210 I211 L225 V247 S248 Y249 F250 L366 I369V209-V227 HydrophobicContact CB-CG1 3.95Å; V209-V227 HydrophobicContact CG1-CG1 4.31Å; V209-V227 HydrophobicContact CG2-CG1 4.26Å; T210-V227 CarbonylContact O-C 3.57Å; T210-V227 VanDerWaalsContact O-CA 3.31Å; T210-V227 WeakPolarHBondContact O-CA 3.39Å; I211-V227 HydrophobicContact CG1-CG2 4.33Å; L225-V227 HydrophobicContact CB-CG2 4.47Å; V227-V247 HydrophobicContact CB-CG2 4.15Å; V227-V247 HydrophobicContact CG2-CB 3.86Å; V227-V247 HydrophobicContact CG2-CG1 3.98Å; V227-V247 HydrophobicContact CG2-CG2 3.89Å; V227-S248 PolarHBondContact N-O 3.14Å; V227-Y249 HydrophobicContact CB-CD2 4.47Å; V227-Y249 HydrophobicContact CG1-CD2 4.42Å; V227-Y249 CarbonylContact O-C 3.58Å; V227-Y249 WeakPolarHBondContact O-CA 3.42Å; V227-F250 PolarHBondContact O-N 2.99Å; V227-L366 HydrophobicContact CB-CD2 4.2Å; V227-L366 HydrophobicContact CG1-CD2 3.72Å; V227-L366 HydrophobicContact CG2-CD2 4.27Å; V227-I369 HydrophobicContact CG2-CG2 4.44Å
228V90.5Very high85.8Confident0 Ų048.7 Ų48.70%023%0.231CC..EExtended strand (participates in β ladder)trans-106.1118.9175.4-165.90000109.5V209 T210 F250 Q252 M257 I261V209-V228 WeakPolarHBondContact CA-O 3.41Å; T210-V228 PolarHBondContact N-O 3.22Å; T210-V228 PolarHBondContact O-N 3.33Å; V228-F250 WeakPolarHBondContact CA-O 3.17Å; V228-F250 HydrophobicContact CG2-CB 4.32Å; V228-Q252 HydrophobicContact CG1-CB 3.77Å; V228-M257 HydrophobicContact CG2-SD 4.38Å; V228-I261 HydrophobicContact CG1-CD1 3.89Å; V228-I261 HydrophobicContact CG2-CD1 4.42Å; V228-I261 HydrophobicContact CG2-CG2 4.05Å
229G88.2Confident84.2Confident1 Ų153.6 Ų53.61%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-113.9176.9172.600000112.8Y249 F250 S251 Q252G229-Y249 WeakPolarHBondContact CA-OH 3.38Å; G229-F250 PolarHBondContact N-O 3.29Å; G229-S251 CarbonylContact O-C 3.4Å; G229-S251 VanDerWaalsContact O-CA 3.27Å; G229-S251 WeakPolarHBondContact O-CA 3.29Å; G229-Q252 PolarHBondContact O-N 2.99Å; G229-Q252 VanDerWaalsContact O-O 3.05Å
230K83.7Confident82.7Confident94 Ų9455 Ų5541%0.40927%0.274SS..SBendtrans-71.9-53.9-178.3-65.7-174.3174.2170.60113.1E206 Q252 K253 A255E206-K230 PolarHBondContact O-NZ 3.4Å; K230-Q252 VanDerWaalsContact CA-O 3.3Å; K230-Q252 WeakPolarHBondContact CA-O 3.31Å; K230-K253 WeakPolarHBondContact CG-O 3.29Å; K230-A255 HydrophobicContact CG-CB 3.82Å
231A82.3Confident81.4Confident47 Ų4755.1 Ų55.139%0.38828%0.275SS..SBendtrans-89.9142-173.700000111.6K233 P234 Y249A231-K233 PolarHBondContact O-N 3.02Å; A231-P234 HydrophobicContact CB-CG 4.25Å; A231-Y249 WeakPolarHBondContact O-CE1 3.42Å; A231-Y249 PolarHBondContact O-OH 3.45Å
232K78.8Confident80.1Confident172 Ų17257.1 Ų57.175%0.74829%0.289SS*.SBendtrans-63.6-39.8176.7-170.3176-179.7-178.40113.4S251K232-S251 VanDerWaalsContact CA-CB 3.42Å; K232-S251 WeakPolarHBondContact CA-OG 3.21Å
233K79.2Confident78.8Confident130 Ų13061.9 Ų61.957%0.56532%0.316SS*.SBendtrans-138.789.6173.6-165.9176.3-177.1-1780108.4A231 F237A231-K233 PolarHBondContact O-N 3.02Å; K233-F237 HydrophobicContact CG-CB 3.96Å; K233-F237 HydrophobicContact CG-CD2 4.45Å
234P78.4Confident77.9Confident17 Ų1767.2 Ų67.211%0.1135%0.345CS..  trans-52.5150.9173.5-23.931.9000111.8A231 S236 F237 Y249 L362A231-P234 HydrophobicContact CB-CG 4.25Å; P234-S236 PolarHBondContact O-N 3.46Å; P234-F237 HydrophobicContact CB-CD1 4.3Å; P234-F237 HydrophobicContact CB-CE1 4.3Å; P234-F237 HydrophobicContact CG-CD1 4.36Å; P234-F237 HydrophobicContact CG-CD2 4.36Å; P234-F237 HydrophobicContact CG-CE1 4.03Å; P234-F237 HydrophobicContact CG-CE2 4.04Å; P234-F237 HydrophobicContact CG-CG 4.49Å; P234-F237 HydrophobicContact CG-CZ 3.84Å; P234-F237 WeakPolarHBondContact O-CB 3.38Å; P234-F237 PolarHBondContact O-N 3.15Å; P234-Y249 WeakPolarHBondContact CG-OH 3.48Å; P234-L362 HydrophobicContact CB-CD2 4.16Å; P234-L362 HydrophobicContact CG-CD2 3.64Å
235R75.1Confident77.6Confident141 Ų14164.3 Ų64.353%0.53233%0.332SS..G310 helixtrans-54.4-24.1177-76.7173162.4178.1-8.5113.7F237 K238 E466R235-F237 VanDerWaalsContact C-N 3.28Å; R235-F237 PolarHBondContact O-N 3.05Å; R235-K238 WeakPolarHBondContact O-CD 3.27Å; R235-K238 WeakPolarHBondContact O-CE 3.29Å; R235-K238 WeakPolarHBondContact O-CG 3.37Å; R235-E466 IonicContact CZ-OE1 3.98Å; R235-E466 IonicContact CZ-OE2 3.71Å; R235-E466 IonicContact NE-OE2 3.21Å; R235-E466 PolarHBondContact NE-OE2 3.19Å; R235-E466 IonicContact NH1-OE1 3.95Å; R235-E466 PolarHBondContact NH1-OE1 2.87Å; R235-E466 IonicContact NH1-OE2 3.12Å; R235-E466 PolarHBondContact NH1-OE2 2.99Å; R235-E466 VanDerWaalsContact NH2-CB 3.3Å; R235-E466 IonicContact NH2-OE1 2.75Å; R235-E466 PolarHBondContact NH2-OE1 3.31Å; R235-E466 VanDerWaalsContact NH2-OE1 3.1Å; R235-E466 IonicContact NH2-OE2 2.77Å; R235-E466 PolarHBondContact NH2-OE2 3.48Å; R235-E466 VanDerWaalsContact NH2-OE2 3.08Å
236S75.1Confident77.3Confident33 Ų3365.9 Ų65.923%0.23134%0.342CS..G310 helixtrans-73-15.5176.455.50000113.9P234 K238P234-S236 PolarHBondContact O-N 3.46Å; S236-K238 VanDerWaalsContact C-N 3.27Å; S236-K238 PolarHBondContact O-N 3.3Å
237F77.5Confident77.2Confident0 Ų065.8 Ų65.80%034%0.342CS..G310 helixtrans-88.813.8-176.2-6610000113K233 P234 R235 S239 T240 T242 L245 Y249 L363 L366K233-F237 HydrophobicContact CG-CB 3.96Å; K233-F237 HydrophobicContact CG-CD2 4.45Å; P234-F237 HydrophobicContact CB-CD1 4.3Å; P234-F237 HydrophobicContact CB-CE1 4.3Å; P234-F237 HydrophobicContact CG-CD1 4.36Å; P234-F237 HydrophobicContact CG-CD2 4.36Å; P234-F237 HydrophobicContact CG-CE1 4.03Å; P234-F237 HydrophobicContact CG-CE2 4.04Å; P234-F237 HydrophobicContact CG-CG 4.49Å; P234-F237 HydrophobicContact CG-CZ 3.84Å; P234-F237 WeakPolarHBondContact O-CB 3.38Å; P234-F237 PolarHBondContact O-N 3.15Å; R235-F237 VanDerWaalsContact C-N 3.28Å; R235-F237 PolarHBondContact O-N 3.05Å; F237-S239 PolarHBondContact O-N 3.34Å; F237-T240 PolarHBondContact O-N 3Å; F237-T242 HydrophobicContact CD2-CG2 4.14Å; F237-T242 HydrophobicContact CE2-CG2 4.48Å; F237-L245 HydrophobicContact CD2-CD1 4.26Å; F237-L245 HydrophobicContact CE2-CD1 3.73Å; F237-L245 HydrophobicContact CZ-CD1 4.01Å; F237-Y249 AromaticContact CE2-CD1 3.79Å; F237-Y249 HydrophobicContact CE2-CD1 3.79Å; F237-Y249 HydrophobicContact CE2-CD2 4.37Å; F237-Y249 AromaticContact CE2-CE1 3.86Å; F237-Y249 HydrophobicContact CE2-CE1 3.86Å; F237-Y249 HydrophobicContact CE2-CE2 4.43Å; F237-Y249 HydrophobicContact CE2-CG 4.04Å; F237-Y249 HydrophobicContact CZ-CD1 4.35Å; F237-Y249 HydrophobicContact CZ-CD2 4.13Å; F237-Y249 HydrophobicContact CZ-CE1 4.28Å; F237-Y249 HydrophobicContact CZ-CE2 4.07Å; F237-Y249 HydrophobicContact CZ-CG 4.25Å; F237-L363 HydrophobicContact CD1-CB 4.44Å; F237-L363 HydrophobicContact CD1-CD1 4.31Å; F237-L363 HydrophobicContact CE1-CB 4.47Å; F237-L363 HydrophobicContact CE1-CD1 4.35Å; F237-L366 HydrophobicContact CE1-CD1 3.98Å; F237-L366 HydrophobicContact CZ-CD1 3.63Å
238K60.8Low77.1Confident113 Ų11366.6 Ų66.649%0.49135%0.348SS..THydrogen-bonded Turntrans-48.9-33.6-169.7-86169.6-175.6-167.40114.9R235 S236R235-K238 WeakPolarHBondContact O-CD 3.27Å; R235-K238 WeakPolarHBondContact O-CE 3.29Å; R235-K238 WeakPolarHBondContact O-CG 3.37Å; S236-K238 VanDerWaalsContact C-N 3.27Å; S236-K238 PolarHBondContact O-N 3.3Å
239S58.3Low77.1Confident125 Ų12568 Ų6887%0.87435%0.353SS*.THydrogen-bonded Turntrans-1192.4-176.8-49.50000114.8F237F237-S239 PolarHBondContact O-N 3.34Å
240T59Low77.1Confident32 Ų3269.6 Ų69.620%0.19636%0.36CS..  trans-114.3119.9-170.8-50.20000109.8F237 T242 N244 L245F237-T240 PolarHBondContact O-N 3Å; T240-T242 PolarHBondContact O-N 3.31Å; T240-N244 HydrophobicContact CG2-CB 4.45Å; T240-L245 HydrophobicContact CG2-CD2 3.89Å; T240-L245 HydrophobicContact CG2-CG 4.48Å
241D65.8Low77.2Confident110 Ų11067.3 Ų67.359%0.58836%0.356SS*.  trans-60132.8167.1-77.7-37.7000109.4L243 N244D241-L243 PolarHBondContact O-N 3.46Å; D241-N244 PolarHBondContact O-N 3.33Å
242T67.4Low77.3Confident66 Ų6666.9 Ų66.941%0.40535%0.346SS..G310 helixtrans-57.2-24.417948.60000112.7F237 T240 N244 L245F237-T242 HydrophobicContact CD2-CG2 4.14Å; F237-T242 HydrophobicContact CE2-CG2 4.48Å; T240-T242 PolarHBondContact O-N 3.31Å; T242-N244 VanDerWaalsContact C-N 3.35Å; T242-L245 HydrophobicContact CG2-CD1 4.4Å; T242-L245 WeakPolarHBondContact O-CB 3.5Å; T242-L245 PolarHBondContact O-N 2.84Å
243L67.1Low77.1Confident147 Ų14766.5 Ų66.577%0.7734%0.344SS*.G310 helixtrans-67.7-32.1173.9-65.8171.2000113.1D241 L245D241-L243 PolarHBondContact O-N 3.46Å; L243-L245 VanDerWaalsContact C-N 3.31Å
244N76.7Confident76.8Confident115 Ų11561.4 Ų61.462%0.61533%0.329SS*.G310 helixtrans-87.1-1-178.4-66.9-30.9000113.1T240 D241 T242T240-N244 HydrophobicContact CG2-CB 4.45Å; D241-N244 PolarHBondContact O-N 3.33Å; T242-N244 VanDerWaalsContact C-N 3.35Å
245L85.3Confident76.9Confident3 Ų360.6 Ų60.62%0.01632%0.324CS..SBendtrans-63.5149.6174.3-67.7174.2000110.3K224 F237 T240 T242 L243 V247 Y249 L363 L366K224-L245 WeakPolarHBondContact CE-O 2.91Å; K224-L245 PolarHBondContact NZ-O 3.21Å; F237-L245 HydrophobicContact CD2-CD1 4.26Å; F237-L245 HydrophobicContact CE2-CD1 3.73Å; F237-L245 HydrophobicContact CZ-CD1 4.01Å; T240-L245 HydrophobicContact CG2-CD2 3.89Å; T240-L245 HydrophobicContact CG2-CG 4.48Å; T242-L245 HydrophobicContact CG2-CD1 4.4Å; T242-L245 WeakPolarHBondContact O-CB 3.5Å; T242-L245 PolarHBondContact O-N 2.84Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L245-V247 PolarHBondContact O-N 3.3Å; L245-Y249 HydrophobicContact CD1-CG 4.46Å; L245-L363 HydrophobicContact CD2-CD1 3.43Å; L245-L363 VanDerWaalsContact CD2-CD1 3.43Å; L245-L366 HydrophobicContact CD1-CD1 4.22Å; L245-L366 HydrophobicContact CD2-CD1 4.49Å
246P86.8Confident77.3Confident36 Ų3656 Ų5623%0.23431%0.306CS..SBendtrans-70.2-11.917732.2-38000112.4K224 Y367 A370K224-P246 WeakPolarHBondContact CE-O 3.07Å; K224-P246 WeakPolarHBondContact CG-O 3.16Å; P246-Y367 HydrophobicContact CB-CD1 4.29Å; P246-Y367 HydrophobicContact CB-CE1 4.35Å; P246-Y367 HydrophobicContact CG-CD1 3.74Å; P246-Y367 HydrophobicContact CG-CD2 4.39Å; P246-Y367 HydrophobicContact CG-CE1 3.91Å; P246-Y367 HydrophobicContact CG-CG 3.99Å; P246-A370 HydrophobicContact CB-CB 3.59Å; P246-A370 HydrophobicContact CG-CB 4Å
247V91.3Very high77.6Confident0 Ų054.7 Ų54.70%030%0.297CS..SBendtrans-120.4164176.1-57.10000111.6K224 L225 V227 L245 L366 I369 A370K224-V247 WeakPolarHBondContact CE-O 3.35Å; K224-V247 PolarHBondContact NZ-O 3.5Å; L225-V247 HydrophobicContact CB-CG1 4.12Å; V227-V247 HydrophobicContact CB-CG2 4.15Å; V227-V247 HydrophobicContact CG2-CB 3.86Å; V227-V247 HydrophobicContact CG2-CG1 3.98Å; V227-V247 HydrophobicContact CG2-CG2 3.89Å; L245-V247 PolarHBondContact O-N 3.3Å; V247-L366 HydrophobicContact CG2-CB 4.2Å; V247-L366 HydrophobicContact CG2-CD1 3.83Å; V247-L366 HydrophobicContact CG2-CD2 3.95Å; V247-L366 HydrophobicContact CG2-CG 4.19Å; V247-I369 HydrophobicContact CG1-CG2 4.49Å; V247-A370 HydrophobicContact CG1-CB 4.08Å
248S91.1Very high77.7Confident17 Ų1757 Ų5712%0.11931%0.309CS..EExtended strand (participates in β ladder)trans-88.5101.9169.4-58.40000108.9L225 C226 V227 F250 I269L225-S248 PolarHBondContact O-N 3.17Å; C226-S248 WeakPolarHBondContact CA-O 3.01Å; V227-S248 PolarHBondContact N-O 3.14Å; S248-F250 WeakPolarHBondContact O-CD2 3.47Å; S248-I269 VanDerWaalsContact CB-CD1 3.42Å; S248-I269 WeakPolarHBondContact OG-CD1 3.46Å
249Y90.7Very high78.6Confident28 Ų2855.6 Ų55.611%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-90.7131.1-173.6-172.3-96.9000112.7V227 G229 A231 P234 F237 L245 L362 L366V227-Y249 HydrophobicContact CB-CD2 4.47Å; V227-Y249 HydrophobicContact CG1-CD2 4.42Å; V227-Y249 CarbonylContact O-C 3.58Å; V227-Y249 WeakPolarHBondContact O-CA 3.42Å; G229-Y249 WeakPolarHBondContact CA-OH 3.38Å; A231-Y249 WeakPolarHBondContact O-CE1 3.42Å; A231-Y249 PolarHBondContact O-OH 3.45Å; P234-Y249 WeakPolarHBondContact CG-OH 3.48Å; F237-Y249 AromaticContact CE2-CD1 3.79Å; F237-Y249 HydrophobicContact CE2-CD1 3.79Å; F237-Y249 HydrophobicContact CE2-CD2 4.37Å; F237-Y249 AromaticContact CE2-CE1 3.86Å; F237-Y249 HydrophobicContact CE2-CE1 3.86Å; F237-Y249 HydrophobicContact CE2-CE2 4.43Å; F237-Y249 HydrophobicContact CE2-CG 4.04Å; F237-Y249 HydrophobicContact CZ-CD1 4.35Å; F237-Y249 HydrophobicContact CZ-CD2 4.13Å; F237-Y249 HydrophobicContact CZ-CE1 4.28Å; F237-Y249 HydrophobicContact CZ-CE2 4.07Å; F237-Y249 HydrophobicContact CZ-CG 4.25Å; L245-Y249 HydrophobicContact CD1-CG 4.46Å; Y249-L362 HydrophobicContact CE2-CD2 4.34Å; Y249-L366 HydrophobicContact CD2-CD1 3.97Å; Y249-L366 HydrophobicContact CE2-CD1 4.47Å
250F89Confident79.5Confident35 Ų3552.8 Ų52.815%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-124.6161.5172.9-63.1-93.9000110C226 V227 V228 G229 S248 I261 Q264 W265 I269C226-F250 WeakPolarHBondContact SG-CD2 3.4Å; C226-F250 WeakPolarHBondContact SG-CE2 3.43Å; V227-F250 PolarHBondContact O-N 2.99Å; V228-F250 WeakPolarHBondContact CA-O 3.17Å; V228-F250 HydrophobicContact CG2-CB 4.32Å; G229-F250 PolarHBondContact N-O 3.29Å; S248-F250 WeakPolarHBondContact O-CD2 3.47Å; F250-I261 HydrophobicContact CB-CD1 4.41Å; F250-I261 HydrophobicContact CB-CG2 3.88Å; F250-I261 HydrophobicContact CD1-CG2 3.98Å; F250-I261 HydrophobicContact CD2-CG2 4.17Å; F250-I261 HydrophobicContact CG-CG2 3.75Å; F250-Q264 HydrophobicContact CE1-CB 4.19Å; F250-W265 HydrophobicContact CZ-CB 4.32Å; F250-I269 HydrophobicContact CE2-CD1 3.72Å; F250-I269 HydrophobicContact CZ-CD1 3.61Å
251S86Confident80.8Confident47 Ų4751.6 Ų51.633%0.32928%0.279SS..EExtended strand (participates in β ladder)trans-130.8132.3-178.464.60000113G229 K232G229-S251 CarbonylContact O-C 3.4Å; G229-S251 VanDerWaalsContact O-CA 3.27Å; G229-S251 WeakPolarHBondContact O-CA 3.29Å; K232-S251 VanDerWaalsContact CA-CB 3.42Å; K232-S251 WeakPolarHBondContact CA-OG 3.21Å
252Q83.8Confident81.8Confident38 Ų3846.4 Ų46.418%0.17825%0.251CS..  trans-146.6138.2177-169.4-86.7-1600107.9V228 G229 K230 G254 A255 I261V228-Q252 HydrophobicContact CG1-CB 3.77Å; G229-Q252 PolarHBondContact O-N 2.99Å; G229-Q252 VanDerWaalsContact O-O 3.05Å; K230-Q252 VanDerWaalsContact CA-O 3.3Å; K230-Q252 WeakPolarHBondContact CA-O 3.31Å; Q252-G254 PolarHBondContact O-N 3.08Å; Q252-G254 VanDerWaalsContact O-N 3.08Å; Q252-G254 VanDerWaalsContact OE1-C 3.24Å; Q252-A255 WeakPolarHBondContact O-CA 3.26Å; Q252-A255 PolarHBondContact O-N 2.77Å; Q252-I261 HydrophobicContact CB-CD1 3.85Å; Q252-I261 HydrophobicContact CG-CD1 4.34Å
253K75.3Confident82.7Confident163 Ų16349.4 Ų49.471%0.70926%0.255SS*.THydrogen-bonded Turntrans-54.1-35.7-169.8-72.9-171.1174.3-1690114.5K230K230-K253 WeakPolarHBondContact CG-O 3.29Å
254G73Confident83.6Confident24 Ų2446 Ų4625%0.24724%0.235CC..THydrogen-bonded Turntrans-90.20.7176.400000114.9R208 Q252 W256R208-G254 PolarHBondContact NH1-O 2.91Å; Q252-G254 PolarHBondContact O-N 3.08Å; Q252-G254 VanDerWaalsContact O-N 3.08Å; Q252-G254 VanDerWaalsContact OE1-C 3.24Å; G254-W256 VanDerWaalsContact O-CD1 3.28Å; G254-W256 PolarHBondContact O-N 2.92Å; G254-W256 PolarHBondContact O-NE1 3.03Å
255A79.8Confident84.4Confident0 Ų040.6 Ų40.60%021%0.206CC..  trans5434.2-170.100000113.3R208 T210 K230 Q252R208-A255 PolarHBondContact NH1-O 2.85Å; R208-A255 VanDerWaalsContact NH1-O 3.15Å; T210-A255 WeakPolarHBondContact CB-O 3.37Å; T210-A255 PolarHBondContact OG1-O 3.04Å; K230-A255 HydrophobicContact CG-CB 3.82Å; Q252-A255 WeakPolarHBondContact O-CA 3.26Å; Q252-A255 PolarHBondContact O-N 2.77Å
256W82.8Confident84.8Confident44 Ų4440.5 Ų40.517%0.16721%0.205CC..  trans-99.9151.2177.6-60.7111.6000111.4R208 G254 Y441 E442R208-W256 VanDerWaalsContact NH1-CE2 3.28Å; R208-W256 VanDerWaalsContact NH1-CZ3 3.27Å; G254-W256 VanDerWaalsContact O-CD1 3.28Å; G254-W256 PolarHBondContact O-N 2.92Å; G254-W256 PolarHBondContact O-NE1 3.03Å; W256-Y441 VanDerWaalsContact CZ3-C 3.42Å; W256-Y441 WeakPolarHBondContact CZ3-O 3.39Å; W256-E442 HydrophobicContact CB-CB 4.15Å; W256-E442 HydrophobicContact CD2-CB 3.82Å; W256-E442 HydrophobicContact CD2-CG 4.37Å; W256-E442 HydrophobicContact CE3-CB 4.44Å; W256-E442 VanDerWaalsContact CE3-N 3.3Å; W256-E442 HydrophobicContact CG-CB 3.64Å; W256-E442 HydrophobicContact CG-CG 4.25Å
257M82.3Confident84.8Confident6 Ų642 Ų423%0.0321%0.212CC..BIsolated β-bridgetrans-65.5144.2165.1-172.867.591.800110.1E178 T210 M212 V228 I261 F262 T296 G440E178-M257 HydrophobicContact CG-CB 4.1Å; E178-M257 HydrophobicContact CG-CE 3.54Å; E178-M257 HydrophobicContact CG-CG 4.04Å; E178-M257 WeakPolarHBondContact OE1-CE 3.25Å; E178-M257 WeakPolarHBondContact OE1-CG 3.38Å; T210-M257 HydrophobicContact CG2-CB 4.25Å; M212-M257 HydrophobicContact CB-CE 3.84Å; M212-M257 HydrophobicContact CE-CE 3.62Å; M212-M257 HydrophobicContact CG-CE 4.21Å; M212-M257 HydrophobicContact SD-CE 3.51Å; M212-M257 VanDerWaalsContact SD-CE 3.51Å; V228-M257 HydrophobicContact CG2-SD 4.38Å; M257-I261 HydrophobicContact SD-CB 4.03Å; M257-I261 HydrophobicContact SD-CG2 3.61Å; M257-F262 HydrophobicContact CE-CD2 4.32Å; M257-F262 HydrophobicContact SD-CB 4.25Å; M257-T296 HydrophobicContact CB-CG2 4.04Å; M257-T296 HydrophobicContact CG-CG2 4.12Å; M257-T296 WeakPolarHBondContact O-CG2 3.36Å; M257-G440 PolarHBondContact N-O 3.26Å
258D80.4Confident84.8Confident47 Ų4748.9 Ų48.925%0.25124%0.241SC..  trans-138.5167.717172.540.5000111.2S260 I261 F262D258-S260 PolarHBondContact O-N 3.1Å; D258-S260 WeakPolarHBondContact OD1-CA 3.39Å; D258-S260 VanDerWaalsContact OD1-CB 3.31Å; D258-S260 WeakPolarHBondContact OD1-CB 3.38Å; D258-S260 PolarHBondContact OD1-N 3.3Å; D258-S260 PolarHBondContact OD1-OG 3.47Å; D258-I261 PolarHBondContact O-N 2.91Å; D258-I261 WeakPolarHBondContact OD1-CG1 3.22Å; D258-I261 PolarHBondContact OD1-N 2.91Å; D258-F262 PolarHBondContact O-N 3.19Å
259L78.9Confident84.8Confident85 Ų8548.9 Ų48.945%0.44524%0.24SC..Hα-helixtrans-55.2-35.4-179.2-72.2164000113.2R263 T296 P298L259-R263 VanDerWaalsContact O-CB 3.31Å; L259-R263 WeakPolarHBondContact O-CB 3.4Å; L259-R263 PolarHBondContact O-N 3.08Å; L259-R263 VanDerWaalsContact O-N 3.08Å; L259-T296 WeakPolarHBondContact CA-O 3.46Å; L259-T296 WeakPolarHBondContact CD2-O 3.39Å; L259-P298 HydrophobicContact CD2-CB 4.33Å; L259-P298 HydrophobicContact CD2-CG 3.99Å
260S78.3Confident85Confident65 Ų6547.6 Ų47.646%0.45524%0.235SC..Hα-helixtrans-75.4-38.5-176.581.40000111.8D258 Q264D258-S260 PolarHBondContact O-N 3.1Å; D258-S260 WeakPolarHBondContact OD1-CA 3.39Å; D258-S260 VanDerWaalsContact OD1-CB 3.31Å; D258-S260 WeakPolarHBondContact OD1-CB 3.38Å; D258-S260 PolarHBondContact OD1-N 3.3Å; D258-S260 PolarHBondContact OD1-OG 3.47Å; S260-Q264 WeakPolarHBondContact O-CB 3.26Å; S260-Q264 VanDerWaalsContact O-CG 3.26Å; S260-Q264 WeakPolarHBondContact O-CG 3.42Å; S260-Q264 PolarHBondContact O-N 3.08Å; S260-Q264 VanDerWaalsContact O-N 3.08Å; S260-Q264 PolarHBondContact O-NE2 2.96Å
261I85Confident85.3Confident8 Ų846.3 Ų46.34%0.04123%0.23CC..Hα-helixtrans-70.1-47.1176.9-66.7171.9000109.2V228 F250 Q252 M257 D258 R263 Q264 W265V228-I261 HydrophobicContact CG1-CD1 3.89Å; V228-I261 HydrophobicContact CG2-CD1 4.42Å; V228-I261 HydrophobicContact CG2-CG2 4.05Å; F250-I261 HydrophobicContact CB-CD1 4.41Å; F250-I261 HydrophobicContact CB-CG2 3.88Å; F250-I261 HydrophobicContact CD1-CG2 3.98Å; F250-I261 HydrophobicContact CD2-CG2 4.17Å; F250-I261 HydrophobicContact CG-CG2 3.75Å; Q252-I261 HydrophobicContact CB-CD1 3.85Å; Q252-I261 HydrophobicContact CG-CD1 4.34Å; M257-I261 HydrophobicContact SD-CB 4.03Å; M257-I261 HydrophobicContact SD-CG2 3.61Å; D258-I261 PolarHBondContact O-N 2.91Å; D258-I261 WeakPolarHBondContact OD1-CG1 3.22Å; D258-I261 PolarHBondContact OD1-N 2.91Å; I261-R263 VanDerWaalsContact C-N 3.34Å; I261-R263 PolarHBondContact O-N 2.7Å; I261-Q264 PolarHBondContact O-N 3.46Å; I261-W265 WeakPolarHBondContact O-CB 3.32Å; I261-W265 PolarHBondContact O-N 2.82Å
262F88.1Confident85.7Confident0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-58.3-47.1178.4-170.2-81.4000111.3E178 M212 M257 D258 Q264 W265 F266 L289 L291 H297 P298 L303E178-F262 WeakPolarHBondContact OE1-CD2 3.46Å; M212-F262 HydrophobicContact CE-CD2 4.47Å; M212-F262 HydrophobicContact CE-CE2 4.46Å; M212-F262 HydrophobicContact SD-CD2 3.89Å; M212-F262 HydrophobicContact SD-CE2 3.62Å; M257-F262 HydrophobicContact CE-CD2 4.32Å; M257-F262 HydrophobicContact SD-CB 4.25Å; D258-F262 PolarHBondContact O-N 3.19Å; F262-Q264 PolarHBondContact O-N 3.22Å; F262-W265 HydrophobicContact CE1-CE3 4.48Å; F262-W265 HydrophobicContact CE1-CZ3 4.39Å; F262-W265 HydrophobicContact CE2-CE3 4.37Å; F262-W265 HydrophobicContact CE2-CZ3 4.22Å; F262-W265 HydrophobicContact CZ-CE3 4.27Å; F262-W265 AromaticContact CZ-CZ3 3.91Å; F262-W265 HydrophobicContact CZ-CZ3 3.91Å; F262-W265 PolarHBondContact O-N 2.86Å; F262-F266 PolarHBondContact O-N 2.86Å; F262-L289 HydrophobicContact CZ-CD2 4.49Å; F262-L291 HydrophobicContact CE1-CD1 3.96Å; F262-L291 HydrophobicContact CE2-CD1 4.49Å; F262-L291 HydrophobicContact CE2-CD2 4.26Å; F262-L291 HydrophobicContact CZ-CD1 3.5Å; F262-L291 HydrophobicContact CZ-CD2 3.81Å; F262-L291 HydrophobicContact CZ-CG 4.32Å; F262-H297 AromaticContact CD2-CD2 3.44Å; F262-H297 VanDerWaalsContact CD2-CD2 3.44Å; F262-H297 WeakPolarHBondContact CD2-CD2 3.13Å; F262-H297 AromaticContact CD2-NE2 3.72Å; F262-H297 AromaticContact CE2-CD2 3.29Å; F262-H297 WeakPolarHBondContact CE2-CD2 3.24Å; F262-H297 AromaticContact CE2-NE2 3.28Å; F262-H297 VanDerWaalsContact CE2-NE2 3.28Å; F262-H297 WeakPolarHBondContact CE2-NE2 3.32Å; F262-H297 AromaticContact CZ-CD2 3.8Å; F262-P298 HydrophobicContact CD1-CG 4.12Å; F262-L303 HydrophobicContact CD1-CD1 4.4Å; F262-L303 HydrophobicContact CD1-CD2 4.1Å; F262-L303 HydrophobicContact CE1-CD1 3.67Å; F262-L303 HydrophobicContact CE1-CD2 3.89Å; F262-L303 HydrophobicContact CE1-CG 4.45Å
263R84.7Confident86.2Confident130 Ų13047.4 Ų47.449%0.49124%0.235SC..Hα-helixtrans-61.3-45177.4-176.2175.1177.8-157.50.5112.2L259 I261 W265 F266 D267 P298L259-R263 VanDerWaalsContact O-CB 3.31Å; L259-R263 WeakPolarHBondContact O-CB 3.4Å; L259-R263 PolarHBondContact O-N 3.08Å; L259-R263 VanDerWaalsContact O-N 3.08Å; I261-R263 VanDerWaalsContact C-N 3.34Å; I261-R263 PolarHBondContact O-N 2.7Å; R263-W265 VanDerWaalsContact C-N 3.3Å; R263-W265 PolarHBondContact O-N 3.22Å; R263-F266 PolarHBondContact O-N 2.99Å; R263-D267 IonicContact NE-OD2 2.88Å; R263-D267 PolarHBondContact O-N 3.42Å; R263-P298 HydrophobicContact CB-CG 4.28Å
264Q87.5Confident87.2Confident75 Ų7539.7 Ų39.735%0.3520%0.202SC..Hα-helixtrans-61.6-39.9176.8-78.1-179.176.500112.2F250 S260 I261 F262 K268F250-Q264 HydrophobicContact CE1-CB 4.19Å; S260-Q264 WeakPolarHBondContact O-CB 3.26Å; S260-Q264 VanDerWaalsContact O-CG 3.26Å; S260-Q264 WeakPolarHBondContact O-CG 3.42Å; S260-Q264 PolarHBondContact O-N 3.08Å; S260-Q264 VanDerWaalsContact O-N 3.08Å; S260-Q264 PolarHBondContact O-NE2 2.96Å; I261-Q264 PolarHBondContact O-N 3.46Å; F262-Q264 PolarHBondContact O-N 3.22Å; Q264-K268 WeakPolarHBondContact O-CB 3.43Å; Q264-K268 WeakPolarHBondContact O-CG 3.49Å; Q264-K268 PolarHBondContact O-N 2.86Å
265W93.4Very high88.3Confident2 Ų241.1 Ų41.11%0.00820%0.2CC..Hα-helixtrans-63.1-45.6174169.289.8000111.4A176 M212 C214 L223 C226 F250 I261 F262 R263 D267 I269 F270 L289A176-W265 HydrophobicContact CB-CH2 3.96Å; M212-W265 HydrophobicContact CE-CB 4.27Å; M212-W265 HydrophobicContact CE-CD2 3.16Å; M212-W265 HydrophobicContact CE-CE3 3.48Å; M212-W265 VanDerWaalsContact CE-CE3 3.48Å; M212-W265 HydrophobicContact CE-CG 3.49Å; M212-W265 VanDerWaalsContact CE-CG 3.49Å; M212-W265 HydrophobicContact CE-CH2 4.06Å; M212-W265 HydrophobicContact CE-CZ2 3.79Å; M212-W265 HydrophobicContact CE-CZ3 3.92Å; M212-W265 HydrophobicContact SD-CE3 4.41Å; M212-W265 HydrophobicContact SD-CZ3 4.4Å; C214-W265 HydrophobicContact CB-CH2 4.17Å; C214-W265 HydrophobicContact CB-CZ2 3.76Å; L223-W265 HydrophobicContact CD2-CZ2 4.24Å; C226-W265 HydrophobicContact CB-CG 4.41Å; F250-W265 HydrophobicContact CZ-CB 4.32Å; I261-W265 WeakPolarHBondContact O-CB 3.32Å; I261-W265 PolarHBondContact O-N 2.82Å; F262-W265 HydrophobicContact CE1-CE3 4.48Å; F262-W265 HydrophobicContact CE1-CZ3 4.39Å; F262-W265 HydrophobicContact CE2-CE3 4.37Å; F262-W265 HydrophobicContact CE2-CZ3 4.22Å; F262-W265 HydrophobicContact CZ-CE3 4.27Å; F262-W265 AromaticContact CZ-CZ3 3.91Å; F262-W265 HydrophobicContact CZ-CZ3 3.91Å; F262-W265 PolarHBondContact O-N 2.86Å; R263-W265 VanDerWaalsContact C-N 3.3Å; R263-W265 PolarHBondContact O-N 3.22Å; W265-D267 PolarHBondContact O-N 3.23Å; W265-I269 HydrophobicContact CB-CD1 4.4Å; W265-I269 HydrophobicContact CG-CB 4.37Å; W265-I269 HydrophobicContact CG-CD1 4.3Å; W265-I269 WeakPolarHBondContact O-CA 3.29Å; W265-I269 VanDerWaalsContact O-CB 3.24Å; W265-I269 WeakPolarHBondContact O-CB 3.33Å; W265-I269 PolarHBondContact O-N 3.41Å; W265-F270 HydrophobicContact CD2-CB 4.4Å; W265-F270 HydrophobicContact CE3-CB 4.3Å; W265-F270 HydrophobicContact CH2-CB 3.88Å; W265-F270 AromaticContact CH2-CD2 3.71Å; W265-F270 HydrophobicContact CH2-CD2 3.71Å; W265-F270 AromaticContact CH2-CG 3.97Å; W265-F270 HydrophobicContact CH2-CG 3.97Å; W265-F270 HydrophobicContact CZ2-CB 3.98Å; W265-F270 HydrophobicContact CZ2-CD2 4.04Å; W265-F270 HydrophobicContact CZ2-CG 4.38Å; W265-F270 HydrophobicContact CZ3-CB 4.05Å; W265-F270 HydrophobicContact CZ3-CD2 4.47Å; W265-F270 HydrophobicContact CZ3-CG 4.32Å; W265-F270 PolarHBondContact O-N 2.82Å; W265-L289 HydrophobicContact CH2-CD2 4.02Å; W265-L289 HydrophobicContact CZ3-CD2 3.83Å
266F92.3Very high89Confident0 Ų047.5 Ų47.50%023%0.23CC..Iπ-helixtrans-58.4-51.1179.3-176.6-93.2000111.4F262 R263 F270 V271 L289 L303 I310F262-F266 PolarHBondContact O-N 2.86Å; R263-F266 PolarHBondContact O-N 2.99Å; F266-F270 HydrophobicContact CD2-CB 4.46Å; F266-F270 AromaticContact CD2-CD1 3.67Å; F266-F270 HydrophobicContact CD2-CD1 3.67Å; F266-F270 HydrophobicContact CD2-CE1 4.32Å; F266-F270 HydrophobicContact CD2-CG 4.31Å; F266-F270 AromaticContact CE2-CD1 3.55Å; F266-F270 HydrophobicContact CE2-CD1 3.55Å; F266-F270 AromaticContact CE2-CE1 3.8Å; F266-F270 HydrophobicContact CE2-CE1 3.8Å; F266-F270 HydrophobicContact CZ-CD1 4.31Å; F266-F270 WeakPolarHBondContact O-CB 3.22Å; F266-F270 PolarHBondContact O-N 3.35Å; F266-V271 HydrophobicContact CD1-CG2 4.14Å; F266-V271 HydrophobicContact CE1-CG2 3.77Å; F266-V271 HydrophobicContact CZ-CG2 4.05Å; F266-V271 WeakPolarHBondContact O-CG2 3.33Å; F266-V271 PolarHBondContact O-N 3.46Å; F266-L289 HydrophobicContact CD2-CD2 3.86Å; F266-L289 HydrophobicContact CE2-CD2 3.97Å; F266-L303 HydrophobicContact CB-CD2 4.07Å; F266-L303 HydrophobicContact CD1-CD2 4.07Å; F266-L303 HydrophobicContact CD2-CD2 4.15Å; F266-L303 HydrophobicContact CE1-CB 4.41Å; F266-L303 HydrophobicContact CE2-CB 4.27Å; F266-L303 HydrophobicContact CG-CD2 3.83Å; F266-L303 HydrophobicContact CZ-CB 4.19Å; F266-I310 HydrophobicContact CZ-CG2 4.34Å
267D88Confident89.6Confident68 Ų6846.6 Ų46.636%0.36423%0.226SC..Iπ-helixtrans-72.6-41.2-174.8-66.6-24.3000112.6R263 W265 P272R263-D267 IonicContact NE-OD2 2.88Å; R263-D267 PolarHBondContact O-N 3.42Å; W265-D267 PolarHBondContact O-N 3.23Å; D267-P272 WeakPolarHBondContact O-CD 3.39Å
268K89.8Confident90.2Very high144 Ų14446.3 Ų46.363%0.62623%0.225SC*.Iπ-helixtrans-97.5-18.9-170.8-59.9-179.2178.6173.20114.4Q264Q264-K268 WeakPolarHBondContact O-CB 3.43Å; Q264-K268 WeakPolarHBondContact O-CG 3.49Å; Q264-K268 PolarHBondContact O-N 2.86Å
269I92.5Very high90.9Very high18 Ų1851.4 Ų51.49%0.09224%0.24CC..Iπ-helixtrans-121.7-59-173-57.4170.9000110S248 F250 W265 Q273S248-I269 VanDerWaalsContact CB-CD1 3.42Å; S248-I269 WeakPolarHBondContact OG-CD1 3.46Å; F250-I269 HydrophobicContact CE2-CD1 3.72Å; F250-I269 HydrophobicContact CZ-CD1 3.61Å; W265-I269 HydrophobicContact CB-CD1 4.4Å; W265-I269 HydrophobicContact CG-CB 4.37Å; W265-I269 HydrophobicContact CG-CD1 4.3Å; W265-I269 WeakPolarHBondContact O-CA 3.29Å; W265-I269 VanDerWaalsContact O-CB 3.24Å; W265-I269 WeakPolarHBondContact O-CB 3.33Å; W265-I269 PolarHBondContact O-N 3.41Å; I269-Q273 WeakPolarHBondContact O-CB 3.36Å; I269-Q273 WeakPolarHBondContact O-CG 3.31Å; I269-Q273 PolarHBondContact O-N 2.95Å; I269-Q273 VanDerWaalsContact O-N 3.12Å
270F95.3Very high91.7Very high0 Ų051.5 Ų51.50%025%0.249CC..Iπ-helixtrans-62.2-58.7-175.1178.9-103.4000112Y174 L223 W265 F266 Q273 V274 L289 I310Y174-F270 AromaticContact CD1-CE2 3.99Å; Y174-F270 HydrophobicContact CD1-CE2 3.99Å; Y174-F270 HydrophobicContact CD2-CE2 4.42Å; Y174-F270 HydrophobicContact CD2-CZ 4.3Å; Y174-F270 AromaticContact CG-CE2 3.83Å; Y174-F270 HydrophobicContact CG-CE2 3.83Å; Y174-F270 HydrophobicContact CG-CZ 4.08Å; L223-F270 HydrophobicContact CD2-CB 4.27Å; L223-F270 HydrophobicContact CD2-CD2 3.56Å; L223-F270 HydrophobicContact CD2-CE2 4.35Å; L223-F270 HydrophobicContact CD2-CG 4.35Å; W265-F270 HydrophobicContact CD2-CB 4.4Å; W265-F270 HydrophobicContact CE3-CB 4.3Å; W265-F270 HydrophobicContact CH2-CB 3.88Å; W265-F270 AromaticContact CH2-CD2 3.71Å; W265-F270 HydrophobicContact CH2-CD2 3.71Å; W265-F270 AromaticContact CH2-CG 3.97Å; W265-F270 HydrophobicContact CH2-CG 3.97Å; W265-F270 HydrophobicContact CZ2-CB 3.98Å; W265-F270 HydrophobicContact CZ2-CD2 4.04Å; W265-F270 HydrophobicContact CZ2-CG 4.38Å; W265-F270 HydrophobicContact CZ3-CB 4.05Å; W265-F270 HydrophobicContact CZ3-CD2 4.47Å; W265-F270 HydrophobicContact CZ3-CG 4.32Å; W265-F270 PolarHBondContact O-N 2.82Å; F266-F270 HydrophobicContact CD2-CB 4.46Å; F266-F270 AromaticContact CD2-CD1 3.67Å; F266-F270 HydrophobicContact CD2-CD1 3.67Å; F266-F270 HydrophobicContact CD2-CE1 4.32Å; F266-F270 HydrophobicContact CD2-CG 4.31Å; F266-F270 AromaticContact CE2-CD1 3.55Å; F266-F270 HydrophobicContact CE2-CD1 3.55Å; F266-F270 AromaticContact CE2-CE1 3.8Å; F266-F270 HydrophobicContact CE2-CE1 3.8Å; F266-F270 HydrophobicContact CZ-CD1 4.31Å; F266-F270 WeakPolarHBondContact O-CB 3.22Å; F266-F270 PolarHBondContact O-N 3.35Å; F270-Q273 PolarHBondContact O-N 2.86Å; F270-V274 HydrophobicContact CD2-CG2 3.9Å; F270-V274 HydrophobicContact CE1-CG2 4.37Å; F270-V274 HydrophobicContact CE2-CG2 3.62Å; F270-V274 HydrophobicContact CG-CG2 4.35Å; F270-V274 HydrophobicContact CZ-CG2 3.87Å; F270-V274 WeakPolarHBondContact O-CB 3.31Å; F270-V274 WeakPolarHBondContact O-CG2 3.43Å; F270-V274 PolarHBondContact O-N 2.82Å; F270-L289 HydrophobicContact CD1-CD2 4.28Å; F270-L289 HydrophobicContact CD2-CD1 4.48Å; F270-L289 HydrophobicContact CD2-CD2 4.43Å; F270-L289 HydrophobicContact CE1-CB 3.88Å; F270-L289 HydrophobicContact CE1-CD2 4.1Å; F270-L289 HydrophobicContact CE1-CG 4.44Å; F270-L289 HydrophobicContact CE2-CB 4.39Å; F270-L289 HydrophobicContact CE2-CD1 3.81Å; F270-L289 HydrophobicContact CE2-CD2 4.3Å; F270-L289 HydrophobicContact CE2-CG 4.38Å; F270-L289 HydrophobicContact CG-CD2 4.45Å; F270-L289 HydrophobicContact CZ-CB 3.65Å; F270-L289 HydrophobicContact CZ-CD1 3.95Å; F270-L289 HydrophobicContact CZ-CD2 4.14Å; F270-L289 HydrophobicContact CZ-CG 4.12Å; F270-I310 HydrophobicContact CD1-CG2 4.08Å; F270-I310 HydrophobicContact CE1-CG2 3.49Å; F270-I310 VanDerWaalsContact CE1-CG2 3.49Å; F270-I310 HydrophobicContact CZ-CG2 4.46Å
271V94.6Very high92.4Very high8 Ų854.1 Ų54.15%0.04825%0.251CS..Hα-helixtrans-57.9-49.3-176.9168.40000112.1F266 R275 I310F266-V271 HydrophobicContact CD1-CG2 4.14Å; F266-V271 HydrophobicContact CE1-CG2 3.77Å; F266-V271 HydrophobicContact CZ-CG2 4.05Å; F266-V271 WeakPolarHBondContact O-CG2 3.33Å; F266-V271 PolarHBondContact O-N 3.46Å; V271-R275 VanDerWaalsContact CG1-NH1 3.34Å; V271-R275 WeakPolarHBondContact O-CG 3.3Å; V271-R275 PolarHBondContact O-N 2.65Å; V271-R275 VanDerWaalsContact O-N 3.1Å; V271-I310 HydrophobicContact CG1-CD1 4.2Å; V271-I310 HydrophobicContact CG2-CB 4.41Å; V271-I310 HydrophobicContact CG2-CG2 3.98Å
272P94.2Very high92.7Very high60 Ų6057.2 Ų57.239%0.3929%0.285SS..Hα-helixtrans-63.5-46.2179.3-25.637.2000114D267 R275 E276D267-P272 WeakPolarHBondContact O-CD 3.39Å; P272-R275 PolarHBondContact O-N 3.03Å; P272-E276 PolarHBondContact O-N 3.15Å
273Q94.7Very high92.9Very high49 Ų4959.7 Ų59.723%0.22930%0.298CS..Hα-helixtrans-67.3-39.3-177.9-71.7-175.626.300112L223 I269 F270 E276 Y277L223-Q273 HydrophobicContact CG-CB 4.47Å; I269-Q273 WeakPolarHBondContact O-CB 3.36Å; I269-Q273 WeakPolarHBondContact O-CG 3.31Å; I269-Q273 PolarHBondContact O-N 2.95Å; I269-Q273 VanDerWaalsContact O-N 3.12Å; F270-Q273 PolarHBondContact O-N 2.86Å; Q273-E276 PolarHBondContact O-N 3.24Å; Q273-Y277 WeakPolarHBondContact O-CB 3.49Å; Q273-Y277 PolarHBondContact O-N 2.76Å
274V95.7Very high93.3Very high0 Ų059.1 Ų59.10%030%0.301CS..Hα-helixtrans-64.3-44176.5171.80000110.7Y174 L223 F270 E276 Y277 L278 A287 I310Y174-V274 HydrophobicContact CD1-CG2 4.38Å; Y174-V274 HydrophobicContact CD2-CG2 4.48Å; Y174-V274 HydrophobicContact CE1-CG2 3.94Å; Y174-V274 HydrophobicContact CE2-CG1 3.92Å; Y174-V274 HydrophobicContact CE2-CG2 4.08Å; L223-V274 HydrophobicContact CD1-CG2 4.46Å; F270-V274 HydrophobicContact CD2-CG2 3.9Å; F270-V274 HydrophobicContact CE1-CG2 4.37Å; F270-V274 HydrophobicContact CE2-CG2 3.62Å; F270-V274 HydrophobicContact CG-CG2 4.35Å; F270-V274 HydrophobicContact CZ-CG2 3.87Å; F270-V274 WeakPolarHBondContact O-CB 3.31Å; F270-V274 WeakPolarHBondContact O-CG2 3.43Å; F270-V274 PolarHBondContact O-N 2.82Å; V274-E276 PolarHBondContact O-N 2.83Å; V274-Y277 PolarHBondContact O-N 2.88Å; V274-L278 HydrophobicContact CG1-CD1 3.67Å; V274-L278 HydrophobicContact CG1-CG 4.14Å; V274-L278 WeakPolarHBondContact O-CB 3.34Å; V274-L278 VanDerWaalsContact O-CG 3.23Å; V274-L278 WeakPolarHBondContact O-CG 3.45Å; V274-L278 PolarHBondContact O-N 2.83Å; V274-A287 HydrophobicContact CG1-CB 3.66Å; V274-I310 HydrophobicContact CB-CD1 4.45Å; V274-I310 HydrophobicContact CG1-CD1 4.15Å
275R95.5Very high93.6Very high54 Ų5458.3 Ų58.320%0.20430%0.298CS..Hα-helixtrans-60.3-45.7175.8-74.9-176.1172.5145.2-5.5112.2V271 P272 Y277 L278 R279 E285 D307 I310V271-R275 VanDerWaalsContact CG1-NH1 3.34Å; V271-R275 WeakPolarHBondContact O-CG 3.3Å; V271-R275 PolarHBondContact O-N 2.65Å; V271-R275 VanDerWaalsContact O-N 3.1Å; P272-R275 PolarHBondContact O-N 3.03Å; R275-Y277 PolarHBondContact O-N 2.84Å; R275-L278 PolarHBondContact O-N 2.7Å; R275-R279 VanDerWaalsContact O-CB 3.27Å; R275-R279 WeakPolarHBondContact O-CB 3.43Å; R275-R279 PolarHBondContact O-N 3.39Å; R275-E285 VanDerWaalsContact CD-OE2 3.26Å; R275-E285 WeakPolarHBondContact CD-OE2 3.36Å; R275-E285 HydrophobicContact CG-CB 4.25Å; R275-E285 HydrophobicContact CG-CG 4.45Å; R275-E285 WeakPolarHBondContact CG-OE2 3.38Å; R275-E285 IonicContact NE-OE2 2.63Å; R275-D307 IonicContact CZ-OD2 2.72Å; R275-D307 IonicContact NE-OD2 3.58Å; R275-D307 IonicContact NH2-OD1 2.62Å; R275-D307 PolarHBondContact NH2-OD1 3.18Å; R275-D307 VanDerWaalsContact NH2-OD1 3.12Å; R275-D307 IonicContact NH2-OD2 3.84Å; R275-D307 PolarHBondContact NH2-OD2 2.98Å; R275-I310 HydrophobicContact CG-CD1 3.6Å
276E95.1Very high93.7Very high135 Ų13559.3 Ų59.363%0.63130%0.302SS*.Hα-helixtrans-59-47.1177.6-176.2174.5-172.500111.6P272 Q273 V274 R279 S280P272-E276 PolarHBondContact O-N 3.15Å; Q273-E276 PolarHBondContact O-N 3.24Å; V274-E276 PolarHBondContact O-N 2.83Å; E276-R279 PolarHBondContact O-N 3.23Å; E276-S280 PolarHBondContact O-N 3Å
277Y95.6Very high93.9Very high24 Ų2459.3 Ų59.39%0.09430%0.302CS..Hα-helixtrans-62.2-49.3177.2176.6-100.4000112.3E171 H221 Q273 V274 R275 R279 S280 K281E171-Y277 HydrophobicContact CB-CE1 4.31Å; H221-Y277 HydrophobicContact CB-CD1 3.95Å; H221-Y277 HydrophobicContact CB-CD2 3.88Å; H221-Y277 HydrophobicContact CB-CE1 3.78Å; H221-Y277 HydrophobicContact CB-CE2 3.7Å; H221-Y277 HydrophobicContact CB-CG 4Å; H221-Y277 AromaticContact CD2-CD2 3.72Å; H221-Y277 AromaticContact CD2-CG 3.9Å; H221-Y277 VanDerWaalsContact CE1-CB 3.42Å; H221-Y277 WeakPolarHBondContact CE1-CB 3.27Å; H221-Y277 AromaticContact CE1-CG 3.78Å; H221-Y277 AromaticContact CG-CD1 3.83Å; H221-Y277 AromaticContact CG-CD2 3.61Å; H221-Y277 AromaticContact CG-CE2 3.99Å; H221-Y277 AromaticContact CG-CG 3.52Å; H221-Y277 AromaticContact ND1-CD1 3.6Å; H221-Y277 AromaticContact ND1-CG 3.44Å; Q273-Y277 WeakPolarHBondContact O-CB 3.49Å; Q273-Y277 PolarHBondContact O-N 2.76Å; V274-Y277 PolarHBondContact O-N 2.88Å; R275-Y277 PolarHBondContact O-N 2.84Å; Y277-R279 VanDerWaalsContact C-N 3.32Å; Y277-R279 PolarHBondContact O-N 3.14Å; Y277-S280 WeakPolarHBondContact O-CB 3.45Å; Y277-S280 PolarHBondContact O-N 2.64Å; Y277-S280 VanDerWaalsContact O-N 3.1Å; Y277-S280 PolarHBondContact O-OG 3.42Å; Y277-K281 HydrophobicContact CE1-CG 4.07Å; Y277-K281 HydrophobicContact CE2-CG 4.11Å; Y277-K281 PolarHBondContact O-N 2.77Å; Y277-K281 VanDerWaalsContact O-N 3.11Å; Y277-K281 WeakPolarHBondContact OH-CE 3.41Å
278L95.2Very high94.3Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-62.2-40.7-179.1-67.4176000111.6Q172 V274 R275 S280 K281 G282 L283 K286 A287Q172-L278 HydrophobicContact CG-CD1 4.38Å; Q172-L278 HydrophobicContact CG-CD2 3.67Å; V274-L278 HydrophobicContact CG1-CD1 3.67Å; V274-L278 HydrophobicContact CG1-CG 4.14Å; V274-L278 WeakPolarHBondContact O-CB 3.34Å; V274-L278 VanDerWaalsContact O-CG 3.23Å; V274-L278 WeakPolarHBondContact O-CG 3.45Å; V274-L278 PolarHBondContact O-N 2.83Å; R275-L278 PolarHBondContact O-N 2.7Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 2.92Å; L278-K281 CarbonylContact O-C 3.53Å; L278-K281 PolarHBondContact O-N 3.14Å; L278-K281 VanDerWaalsContact O-N 3.13Å; L278-G282 PolarHBondContact O-N 3.23Å; L278-G282 VanDerWaalsContact O-N 3.12Å; L278-L283 HydrophobicContact CB-CB 4.33Å; L278-L283 HydrophobicContact CD2-CB 4.08Å; L278-L283 HydrophobicContact CD2-CD1 3.88Å; L278-L283 PolarHBondContact O-N 3.43Å; L278-K286 WeakPolarHBondContact CD1-O 3.44Å; L278-A287 HydrophobicContact CD1-CB 4.28Å
279R95.3Very high94.6Very high154 Ų15449.2 Ų49.258%0.58126%0.255SS*.Hα-helixtrans-61-42.2173.5-169.4-176.6-57.4142.24.1111.9R275 E276 Y277 K281 G282 E285R275-R279 VanDerWaalsContact O-CB 3.27Å; R275-R279 WeakPolarHBondContact O-CB 3.43Å; R275-R279 PolarHBondContact O-N 3.39Å; E276-R279 PolarHBondContact O-N 3.23Å; Y277-R279 VanDerWaalsContact C-N 3.32Å; Y277-R279 PolarHBondContact O-N 3.14Å; R279-K281 PolarHBondContact O-N 3.48Å; R279-G282 PolarHBondContact O-N 2.97Å; R279-G282 VanDerWaalsContact O-N 3.1Å; R279-E285 IonicContact CZ-OE1 3.56Å; R279-E285 VanDerWaalsContact CZ-OE1 3.29Å; R279-E285 IonicContact NE-OE1 3.95Å; R279-E285 PolarHBondContact NE-OE1 2.99Å; R279-E285 IonicContact NH2-OE1 3Å; R279-E285 PolarHBondContact NH2-OE1 2.86Å; R279-E285 IonicContact NH2-OE2 3.63Å
280S95.3Very high94.6Very high88 Ų8848.3 Ų48.362%0.61525%0.25SS*.Hα-helixtrans-63.1-26.2176.882.50000113.3E276 Y277 L278E276-S280 PolarHBondContact O-N 3Å; Y277-S280 WeakPolarHBondContact O-CB 3.45Å; Y277-S280 PolarHBondContact O-N 2.64Å; Y277-S280 VanDerWaalsContact O-N 3.1Å; Y277-S280 PolarHBondContact O-OG 3.42Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 2.92Å
281K92.5Very high94.4Very high119 Ų11948.3 Ų48.352%0.51725%0.25SS..THydrogen-bonded Turntrans-92.3-2.7176.8-64.4-61.9-176.6179.10113.7Y277 L278 R279 L283Y277-K281 HydrophobicContact CE1-CG 4.07Å; Y277-K281 HydrophobicContact CE2-CG 4.11Å; Y277-K281 PolarHBondContact O-N 2.77Å; Y277-K281 VanDerWaalsContact O-N 3.11Å; Y277-K281 WeakPolarHBondContact OH-CE 3.41Å; L278-K281 CarbonylContact O-C 3.53Å; L278-K281 PolarHBondContact O-N 3.14Å; L278-K281 VanDerWaalsContact O-N 3.13Å; R279-K281 PolarHBondContact O-N 3.48Å; K281-L283 HydrophobicContact CB-CD1 4.08Å; K281-L283 HydrophobicContact CB-CG 4.04Å; K281-L283 PolarHBondContact O-N 3.04Å
282G91.9Very high94Very high73 Ų7349.2 Ų49.275%0.75326%0.255SS*.THydrogen-bonded Turntrans67.520.9-174.600000113.6L278 R279L278-G282 PolarHBondContact O-N 3.23Å; L278-G282 VanDerWaalsContact O-N 3.12Å; R279-G282 PolarHBondContact O-N 2.97Å; R279-G282 VanDerWaalsContact O-N 3.1Å
283L92.8Very high93.1Very high52 Ų5248.6 Ų48.627%0.27225%0.248SC..  trans-89.3157176.9-66.3175000110.5Q169 E171 Q172 L278 K281Q169-L283 HydrophobicContact CG-CD2 4.43Å; E171-L283 HydrophobicContact CB-CD1 3.84Å; E171-L283 HydrophobicContact CG-CD1 4.46Å; Q172-L283 HydrophobicContact CG-CD1 4.49Å; L278-L283 HydrophobicContact CB-CB 4.33Å; L278-L283 HydrophobicContact CD2-CB 4.08Å; L278-L283 HydrophobicContact CD2-CD1 3.88Å; L278-L283 PolarHBondContact O-N 3.43Å; K281-L283 HydrophobicContact CB-CD1 4.08Å; K281-L283 HydrophobicContact CB-CG 4.04Å; K281-L283 PolarHBondContact O-N 3.04Å
284Q92.4Very high92.1Very high119 Ų11946.5 Ų46.556%0.55624%0.239SC*.  trans-60.9138.9170.4-172.3176.95.700109.7Q172 K286Q172-Q284 PolarHBondContact NE2-O 3.46Å; Q284-K286 HydrophobicContact CG-CB 4.17Å; Q284-K286 PolarHBondContact O-N 3.38Å
285E93.9Very high90.8Very high58 Ų5847.8 Ų47.827%0.27125%0.247SC..SBendtrans-72.150178.7-64.7-171.9-16300112.7R275 R279 Q309R275-E285 VanDerWaalsContact CD-OE2 3.26Å; R275-E285 WeakPolarHBondContact CD-OE2 3.36Å; R275-E285 HydrophobicContact CG-CB 4.25Å; R275-E285 HydrophobicContact CG-CG 4.45Å; R275-E285 WeakPolarHBondContact CG-OE2 3.38Å; R275-E285 IonicContact NE-OE2 2.63Å; R279-E285 IonicContact CZ-OE1 3.56Å; R279-E285 VanDerWaalsContact CZ-OE1 3.29Å; R279-E285 IonicContact NE-OE1 3.95Å; R279-E285 PolarHBondContact NE-OE1 2.99Å; R279-E285 IonicContact NH2-OE1 3Å; R279-E285 PolarHBondContact NH2-OE1 2.86Å; R279-E285 IonicContact NH2-OE2 3.63Å; E285-Q309 WeakPolarHBondContact O-CB 3.25Å
286K95.4Very high89.7Confident22 Ų2245.6 Ų45.610%0.09624%0.24CC..  trans-120.2133.7-179-170-175-177.7179.70108.8E166 L168 Q172 L278 Q284 Q309E166-K286 PolarHBondContact O-NZ 2.98Å; E166-K286 WeakPolarHBondContact OE2-CE 3.38Å; E166-K286 IonicContact OE2-NZ 3.73Å; E166-K286 PolarHBondContact OE2-NZ 2.96Å; L168-K286 HydrophobicContact CD2-CB 4.42Å; L168-K286 HydrophobicContact CD2-CD 3.81Å; L168-K286 HydrophobicContact CD2-CG 3.87Å; Q172-K286 WeakPolarHBondContact CB-O 3.47Å; Q172-K286 VanDerWaalsContact CG-O 3.29Å; Q172-K286 WeakPolarHBondContact CG-O 3.37Å; Q172-K286 PolarHBondContact NE2-O 2.64Å; L278-K286 WeakPolarHBondContact CD1-O 3.44Å; Q284-K286 HydrophobicContact CG-CB 4.17Å; Q284-K286 PolarHBondContact O-N 3.38Å; K286-Q309 VanDerWaalsContact CA-O 3.31Å; K286-Q309 WeakPolarHBondContact CA-O 3.41Å; K286-Q309 HydrophobicContact CB-CB 4.41Å; K286-Q309 HydrophobicContact CG-CB 4.46Å; K286-Q309 WeakPolarHBondContact CG-O 3.5Å
287A96.4Very high88.7Confident0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-154.3154.5179.900000112.4Q172 Y174 V274 L278 Q309 I310 F311Q172-A287 CarbonylContact O-C 3.58Å; Q172-A287 WeakPolarHBondContact O-CA 3.14Å; Q172-A287 VanDerWaalsContact O-CB 3.32Å; Q172-A287 WeakPolarHBondContact O-CB 3.46Å; Y174-A287 HydrophobicContact CD2-CB 4.27Å; Y174-A287 HydrophobicContact CE2-CB 4.26Å; V274-A287 HydrophobicContact CG1-CB 3.66Å; L278-A287 HydrophobicContact CD1-CB 4.28Å; A287-Q309 PolarHBondContact N-O 2.9Å; A287-Q309 VanDerWaalsContact N-O 3.08Å; A287-I310 HydrophobicContact CB-CG1 4.15Å; A287-I310 HydrophobicContact CB-CG2 4.43Å; A287-I310 WeakPolarHBondContact O-CA 3.39Å; A287-F311 PolarHBondContact O-N 3.2Å; A287-F311 VanDerWaalsContact O-N 3.09Å
288V96.1Very high87.5Confident0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-115.3131.2172.764.80000110.3F159 F162 L168 Q172 I173 Y174 F311 K313F159-V288 HydrophobicContact CZ-CG1 4.36Å; F162-V288 HydrophobicContact CE1-CB 4.33Å; F162-V288 HydrophobicContact CE1-CG1 4.43Å; F162-V288 HydrophobicContact CE1-CG2 4.11Å; F162-V288 HydrophobicContact CZ-CG2 4.4Å; L168-V288 HydrophobicContact CD1-CB 4.15Å; L168-V288 HydrophobicContact CD1-CG1 3.84Å; Q172-V288 PolarHBondContact O-N 3.34Å; I173-V288 HydrophobicContact CB-CG1 4.18Å; I173-V288 HydrophobicContact CG1-CG1 3.94Å; I173-V288 HydrophobicContact CG2-CG1 4.04Å; Y174-V288 PolarHBondContact N-O 3.31Å; V288-F311 CarbonylContact C-O 3.41Å; V288-F311 VanDerWaalsContact CA-O 3.31Å; V288-F311 WeakPolarHBondContact CA-O 3.36Å; V288-F311 HydrophobicContact CG2-CD2 4.45Å; V288-F311 HydrophobicContact CG2-CE2 4.23Å; V288-K313 HydrophobicContact CG2-CB 3.94Å; V288-K313 HydrophobicContact CG2-CD 4.12Å; V288-K313 HydrophobicContact CG2-CG 3.82Å
289L96Very high85.9Confident0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-103.3111.7172.1-179.860.4000109.8A176 F262 W265 F266 F270 L291 F311 A312 K313A176-L289 HydrophobicContact CB-CD1 3.88Å; F262-L289 HydrophobicContact CZ-CD2 4.49Å; W265-L289 HydrophobicContact CH2-CD2 4.02Å; W265-L289 HydrophobicContact CZ3-CD2 3.83Å; F266-L289 HydrophobicContact CD2-CD2 3.86Å; F266-L289 HydrophobicContact CE2-CD2 3.97Å; F270-L289 HydrophobicContact CD1-CD2 4.28Å; F270-L289 HydrophobicContact CD2-CD1 4.48Å; F270-L289 HydrophobicContact CD2-CD2 4.43Å; F270-L289 HydrophobicContact CE1-CB 3.88Å; F270-L289 HydrophobicContact CE1-CD2 4.1Å; F270-L289 HydrophobicContact CE1-CG 4.44Å; F270-L289 HydrophobicContact CE2-CB 4.39Å; F270-L289 HydrophobicContact CE2-CD1 3.81Å; F270-L289 HydrophobicContact CE2-CD2 4.3Å; F270-L289 HydrophobicContact CE2-CG 4.38Å; F270-L289 HydrophobicContact CG-CD2 4.45Å; F270-L289 HydrophobicContact CZ-CB 3.65Å; F270-L289 HydrophobicContact CZ-CD1 3.95Å; F270-L289 HydrophobicContact CZ-CD2 4.14Å; F270-L289 HydrophobicContact CZ-CG 4.12Å; L289-L291 HydrophobicContact CD1-CD2 4.26Å; L289-L291 HydrophobicContact CD2-CD1 4.21Å; L289-L291 HydrophobicContact CD2-CD2 4.01Å; L289-L291 HydrophobicContact CD2-CG 4.26Å; L289-L291 HydrophobicContact CG-CD1 4.4Å; L289-L291 HydrophobicContact CG-CD2 3.87Å; L289-L291 HydrophobicContact CG-CG 3.99Å; L289-F311 PolarHBondContact N-O 2.97Å; L289-A312 HydrophobicContact CB-CB 4.46Å; L289-A312 CarbonylContact O-C 3.58Å; L289-A312 WeakPolarHBondContact O-CA 3.3Å; L289-K313 PolarHBondContact O-N 3.43Å
290L93.5Very high84.5Confident0 Ų036.3 Ų36.30%021%0.207CC..EExtended strand (participates in β ladder)trans-87124.8177.3-168.961000110.3F155 F159 Y174 N175 A176 K313 L315 W385 I388F155-L290 HydrophobicContact CZ-CD1 4.04Å; F159-L290 HydrophobicContact CE1-CD2 4.48Å; F159-L290 HydrophobicContact CE2-CD1 4.45Å; F159-L290 HydrophobicContact CZ-CD2 4.36Å; Y174-L290 WeakPolarHBondContact O-CB 3.49Å; Y174-L290 PolarHBondContact O-N 2.84Å; N175-L290 WeakPolarHBondContact CA-O 3.29Å; N175-L290 PolarHBondContact ND2-O 3.05Å; A176-L290 PolarHBondContact N-O 2.94Å; L290-K313 CarbonylContact C-O 3.57Å; L290-K313 WeakPolarHBondContact CA-O 3.28Å; L290-K313 HydrophobicContact CD1-CB 4.18Å; L290-L315 HydrophobicContact CD1-CD2 3.86Å; L290-L315 HydrophobicContact CD1-CG 4.09Å; L290-L315 HydrophobicContact CD2-CD2 3.71Å; L290-L315 HydrophobicContact CD2-CG 4.38Å; L290-L315 HydrophobicContact CG-CD2 3.85Å; L290-L315 HydrophobicContact CG-CG 4.03Å; L290-W385 HydrophobicContact CB-CH2 4.25Å; L290-W385 HydrophobicContact CD2-CH2 4.06Å; L290-W385 HydrophobicContact CD2-CZ3 3.82Å; L290-I388 HydrophobicContact CD2-CD1 3.74Å
291L90.7Very high83Confident0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-128156.2-175.8-61.7173.7000111.6A176 F262 L289 L303 A312 K313 Y314 L315A176-L291 HydrophobicContact CB-CD2 3.9Å; F262-L291 HydrophobicContact CE1-CD1 3.96Å; F262-L291 HydrophobicContact CE2-CD1 4.49Å; F262-L291 HydrophobicContact CE2-CD2 4.26Å; F262-L291 HydrophobicContact CZ-CD1 3.5Å; F262-L291 HydrophobicContact CZ-CD2 3.81Å; F262-L291 HydrophobicContact CZ-CG 4.32Å; L289-L291 HydrophobicContact CD1-CD2 4.26Å; L289-L291 HydrophobicContact CD2-CD1 4.21Å; L289-L291 HydrophobicContact CD2-CD2 4.01Å; L289-L291 HydrophobicContact CD2-CG 4.26Å; L289-L291 HydrophobicContact CG-CD1 4.4Å; L289-L291 HydrophobicContact CG-CD2 3.87Å; L289-L291 HydrophobicContact CG-CG 3.99Å; L291-L303 HydrophobicContact CD1-CD1 3.68Å; L291-A312 HydrophobicContact CD1-CB 4.03Å; L291-K313 PolarHBondContact N-O 3.03Å; L291-Y314 HydrophobicContact CB-CD1 4.43Å; L291-Y314 HydrophobicContact CB-CE1 4.17Å; L291-Y314 CarbonylContact O-C 3.58Å; L291-Y314 WeakPolarHBondContact O-CA 3.48Å; L291-L315 PolarHBondContact O-N 3.16Å
292D85.4Confident81.9Confident26 Ų2631.8 Ų31.814%0.13918%0.183CC..  trans-77.3178.3167.287.6-25.5000111.3S294 H297 Y314D292-S294 VanDerWaalsContact C-N 3.27Å; D292-S294 PolarHBondContact O-N 2.96Å; D292-S294 WeakPolarHBondContact OD1-CB 3.35Å; D292-S294 PolarHBondContact OD1-N 3.27Å; D292-S294 PolarHBondContact OD2-N 3.49Å; D292-H297 PolarHBondContact O-ND1 2.95Å; D292-H297 IonicContact OD1-CE1 2.91Å; D292-H297 PolarHBondContact OD1-CE1 3.05Å; D292-H297 IonicContact OD1-ND1 2.7Å; D292-H297 PolarHBondContact OD1-ND1 2.71Å; D292-Y314 WeakPolarHBondContact O-CD1 3.32Å; D292-Y314 WeakPolarHBondContact O-CE1 3.44Å
293N76Confident81.3Confident47 Ų4728.4 Ų28.425%0.25115%0.148SC..  trans-91.434.7178-65.3-87.6000113.3L315 P317N293-L315 PolarHBondContact ND2-O 2.79Å; N293-P317 HydrophobicContact CB-CB 4.34Å; N293-P317 VanDerWaalsContact ND2-CA 3.34Å; N293-P317 WeakPolarHBondContact ND2-CA 3.44Å
294S74.4Confident81Confident6 Ų630.5 Ų30.54%0.04215%0.152CC..  trans-55.9143.5176.2171.60000112.2D292 T296 H297 Y441D292-S294 VanDerWaalsContact C-N 3.27Å; D292-S294 PolarHBondContact O-N 2.96Å; D292-S294 WeakPolarHBondContact OD1-CB 3.35Å; D292-S294 PolarHBondContact OD1-N 3.27Å; D292-S294 PolarHBondContact OD2-N 3.49Å; S294-T296 PolarHBondContact O-N 2.97Å; S294-T296 VanDerWaalsContact O-N 3.13Å; S294-T296 PolarHBondContact OG-N 2.89Å; S294-T296 PolarHBondContact OG-OG1 3.37Å; S294-H297 PolarHBondContact O-N 3.07Å; S294-H297 VanDerWaalsContact O-N 3.16Å; S294-Y441 VanDerWaalsContact OG-CD1 3.31Å; S294-Y441 WeakPolarHBondContact OG-CD1 3.21Å
295P67.6Low80.7Confident26 Ų2625.3 Ų25.317%0.16913%0.129CC..THydrogen-bonded Turntrans-59.5-19173.124.6-34.7000113.7N88 H297 Y441N88-P295 HydrophobicContact CB-CB 4.02Å; P295-H297 VanDerWaalsContact C-N 3.29Å; P295-Y441 HydrophobicContact CG-CD2 3.8Å; P295-Y441 HydrophobicContact CG-CE2 4.11Å; P295-Y441 HydrophobicContact CG-CG 4.09Å
296T71.5Confident80.1Confident8 Ų831 Ų315%0.04916%0.161CC..THydrogen-bonded Turntrans-81.2-9.3-179.857.70000113.2M257 L259 S294 P298 Y441M257-T296 HydrophobicContact CB-CG2 4.04Å; M257-T296 HydrophobicContact CG-CG2 4.12Å; M257-T296 WeakPolarHBondContact O-CG2 3.36Å; L259-T296 WeakPolarHBondContact CA-O 3.46Å; L259-T296 WeakPolarHBondContact CD2-O 3.39Å; S294-T296 PolarHBondContact O-N 2.97Å; S294-T296 VanDerWaalsContact O-N 3.13Å; S294-T296 PolarHBondContact OG-N 2.89Å; S294-T296 PolarHBondContact OG-OG1 3.37Å; T296-P298 WeakPolarHBondContact O-CD 3.28Å; T296-Y441 VanDerWaalsContact CG2-CB 3.41Å; T296-Y441 HydrophobicContact CG2-CG 4.39Å
297H74.1Confident79.5Confident14 Ų1433.7 Ų33.77%0.06518%0.176CC..SBendtrans-92118.6-175.5-64.9166.8000111.9E178 F262 D292 S294 P295 Y314E178-H297 IonicContact OE1-CD2 3.19Å; E178-H297 IonicContact OE1-NE2 2.77Å; E178-H297 PolarHBondContact OE1-NE2 3.45Å; E178-H297 VanDerWaalsContact OE1-NE2 3.07Å; E178-H297 IonicContact OE2-CE1 3.16Å; E178-H297 IonicContact OE2-NE2 3.1Å; E178-H297 PolarHBondContact OE2-NE2 2.78Å; E178-H297 VanDerWaalsContact OE2-NE2 3.15Å; F262-H297 AromaticContact CD2-CD2 3.44Å; F262-H297 VanDerWaalsContact CD2-CD2 3.44Å; F262-H297 WeakPolarHBondContact CD2-CD2 3.13Å; F262-H297 AromaticContact CD2-NE2 3.72Å; F262-H297 AromaticContact CE2-CD2 3.29Å; F262-H297 WeakPolarHBondContact CE2-CD2 3.24Å; F262-H297 AromaticContact CE2-NE2 3.28Å; F262-H297 VanDerWaalsContact CE2-NE2 3.28Å; F262-H297 WeakPolarHBondContact CE2-NE2 3.32Å; F262-H297 AromaticContact CZ-CD2 3.8Å; D292-H297 PolarHBondContact O-ND1 2.95Å; D292-H297 IonicContact OD1-CE1 2.91Å; D292-H297 PolarHBondContact OD1-CE1 3.05Å; D292-H297 IonicContact OD1-ND1 2.7Å; D292-H297 PolarHBondContact OD1-ND1 2.71Å; S294-H297 PolarHBondContact O-N 3.07Å; S294-H297 VanDerWaalsContact O-N 3.16Å; P295-H297 VanDerWaalsContact C-N 3.29Å; H297-Y314 HydrophobicContact CB-CE1 3.82Å; H297-Y314 WeakPolarHBondContact CB-OH 3.32Å
298P70.8Confident79Confident10 Ų1035 Ų357%0.06519%0.19CC..PPolyproline II helixtrans-64.6146172.3-16.829.8000110.2L259 F262 R263 T296 L303 Y314L259-P298 HydrophobicContact CD2-CB 4.33Å; L259-P298 HydrophobicContact CD2-CG 3.99Å; F262-P298 HydrophobicContact CD1-CG 4.12Å; R263-P298 HydrophobicContact CB-CG 4.28Å; T296-P298 WeakPolarHBondContact O-CD 3.28Å; P298-L303 HydrophobicContact CB-CD2 4.14Å; P298-L303 HydrophobicContact CB-CG 4.15Å; P298-L303 HydrophobicContact CG-CD2 4.02Å; P298-L303 HydrophobicContact CG-CG 4.46Å; P298-L303 WeakPolarHBondContact O-CD1 3.24Å; P298-L303 WeakPolarHBondContact O-CG 3.23Å; P298-Y314 PolarHBondContact O-OH 3.45Å
299N62.8Low78.8Confident50 Ų5038.2 Ų38.227%0.26721%0.205SC..PPolyproline II helixtrans-51148.8-175.6-166.8-85.4000115.4D60 N301 V302 L303D60-N299 HydrophobicContact CB-CB 4.2Å; D60-N299 WeakPolarHBondContact O-CB 3.43Å; D60-N299 PolarHBondContact O-OD1 2.94Å; N299-N301 PolarHBondContact O-N 2.89Å; N299-N301 PolarHBondContact OD1-N 3.4Å; N299-N301 VanDerWaalsContact OD1-N 3.14Å; N299-N301 PolarHBondContact OD1-ND2 3.44Å; N299-V302 PolarHBondContact O-N 3.06Å; N299-L303 PolarHBondContact O-N 3.13Å
300E66Low78.6Confident45 Ų4538.2 Ų38.221%0.2121%0.205CC..THydrogen-bonded Turntrans-45.7-33.2176.8-159.6-175.1158.800114.9A312 K313 Y314E300-A312 WeakPolarHBondContact CG-O 3.47Å; E300-K313 WeakPolarHBondContact OE1-CG 3.44Å; E300-K313 IonicContact OE1-NZ 3.64Å; E300-K313 PolarHBondContact OE1-NZ 2.91Å; E300-K313 VanDerWaalsContact OE1-NZ 3.14Å; E300-Y314 HydrophobicContact CB-CD2 3.7Å; E300-Y314 HydrophobicContact CB-CE2 3.68Å; E300-Y314 HydrophobicContact CG-CD2 4.02Å; E300-Y314 HydrophobicContact CG-CE2 4.25Å
301N62.5Low78.5Confident57 Ų5738.8 Ų38.831%0.30521%0.208SC..THydrogen-bonded Turntrans-78.6-21.2-177.5-63.2-71.3000113.5S61 N299S61-N301 PolarHBondContact OG-ND2 3.04Å; N299-N301 PolarHBondContact O-N 2.89Å; N299-N301 PolarHBondContact OD1-N 3.4Å; N299-N301 VanDerWaalsContact OD1-N 3.14Å; N299-N301 PolarHBondContact OD1-ND2 3.44Å
302V68.9Low78.4Confident55 Ų5538.8 Ų38.833%0.33321%0.208SC..THydrogen-bonded Turntrans-92.5-35-179.8-178.10000110.5N299 R304N299-V302 PolarHBondContact O-N 3.06Å; V302-R304 PolarHBondContact O-N 2.79Å
303L80.3Confident78.6Confident2 Ų239.9 Ų39.91%0.0121%0.211CC..SBendtrans-76.370.5176.5-66.5178.5000111.3F262 F266 L291 P298 N299 F311 A312 Y314F262-L303 HydrophobicContact CD1-CD1 4.4Å; F262-L303 HydrophobicContact CD1-CD2 4.1Å; F262-L303 HydrophobicContact CE1-CD1 3.67Å; F262-L303 HydrophobicContact CE1-CD2 3.89Å; F262-L303 HydrophobicContact CE1-CG 4.45Å; F266-L303 HydrophobicContact CB-CD2 4.07Å; F266-L303 HydrophobicContact CD1-CD2 4.07Å; F266-L303 HydrophobicContact CD2-CD2 4.15Å; F266-L303 HydrophobicContact CE1-CB 4.41Å; F266-L303 HydrophobicContact CE2-CB 4.27Å; F266-L303 HydrophobicContact CG-CD2 3.83Å; F266-L303 HydrophobicContact CZ-CB 4.19Å; L291-L303 HydrophobicContact CD1-CD1 3.68Å; P298-L303 HydrophobicContact CB-CD2 4.14Å; P298-L303 HydrophobicContact CB-CG 4.15Å; P298-L303 HydrophobicContact CG-CD2 4.02Å; P298-L303 HydrophobicContact CG-CG 4.46Å; P298-L303 WeakPolarHBondContact O-CD1 3.24Å; P298-L303 WeakPolarHBondContact O-CG 3.23Å; N299-L303 PolarHBondContact O-N 3.13Å; L303-F311 CarbonylContact O-C 3.47Å; L303-F311 VanDerWaalsContact O-CA 3.28Å; L303-F311 WeakPolarHBondContact O-CA 3.3Å; L303-A312 HydrophobicContact CB-CB 3.58Å; L303-A312 HydrophobicContact CD1-CB 3.71Å; L303-A312 HydrophobicContact CG-CB 4.34Å; L303-A312 PolarHBondContact O-N 2.92Å; L303-Y314 WeakPolarHBondContact CD1-OH 3.4Å
304R85.8Confident79.1Confident96 Ų9639.5 Ų39.536%0.36221%0.207SC..BIsolated β-bridgetrans-139.4141.1176.1-57.7-166.9167.9-131-4.4109.5V302 I310 F311V302-R304 PolarHBondContact O-N 2.79Å; R304-I310 CarbonylContact C-O 3.59Å; R304-I310 VanDerWaalsContact CA-O 3.29Å; R304-I310 WeakPolarHBondContact CA-O 3.19Å; R304-F311 HydrophobicContact CB-CB 4.34Å; R304-F311 HydrophobicContact CG-CB 3.71Å
305S86.6Confident79.5Confident10 Ų1039.4 Ų39.47%0.0721%0.205CC..  trans-63.5159.7168.555.10000111D307 G308 Q309 I310S305-D307 VanDerWaalsContact CB-OD1 3.28Å; S305-D307 WeakPolarHBondContact CB-OD1 3.04Å; S305-D307 PolarHBondContact O-N 2.97Å; S305-D307 VanDerWaalsContact O-N 3.11Å; S305-D307 PolarHBondContact OG-OD1 3.43Å; S305-G308 WeakPolarHBondContact O-CA 3.49Å; S305-G308 PolarHBondContact O-N 3.43Å; S305-Q309 PolarHBondContact OG-N 3.18Å; S305-I310 PolarHBondContact N-O 3.02Å; S305-I310 PolarHBondContact OG-N 3.09Å; S305-I310 PolarHBondContact OG-O 2.99Å
306D82.2Confident79.9Confident176 Ų17639.5 Ų39.594%0.94121%0.206SC*.THydrogen-bonded Turntrans-56.8-30.2-177.5-61.3-38.1000113.8
307D82.8Confident79.8Confident79 Ų7940.8 Ų40.842%0.42222%0.215SC..THydrogen-bonded Turntrans-88.9-4.6176.160.35.9000113.8R275 S305 Q309R275-D307 IonicContact CZ-OD2 2.72Å; R275-D307 IonicContact NE-OD2 3.58Å; R275-D307 IonicContact NH2-OD1 2.62Å; R275-D307 PolarHBondContact NH2-OD1 3.18Å; R275-D307 VanDerWaalsContact NH2-OD1 3.12Å; R275-D307 IonicContact NH2-OD2 3.84Å; R275-D307 PolarHBondContact NH2-OD2 2.98Å; S305-D307 VanDerWaalsContact CB-OD1 3.28Å; S305-D307 WeakPolarHBondContact CB-OD1 3.04Å; S305-D307 PolarHBondContact O-N 2.97Å; S305-D307 VanDerWaalsContact O-N 3.11Å; S305-D307 PolarHBondContact OG-OD1 3.43Å; D307-Q309 HydrophobicContact CB-CG 4.33Å; D307-Q309 PolarHBondContact O-N 3.09Å; D307-Q309 PolarHBondContact OD1-N 2.73Å; D307-Q309 VanDerWaalsContact OD1-N 3.08Å
308G85.4Confident79.4Confident28 Ų2843 Ų4329%0.28923%0.227SC..SBendtrans68.99.3-178.600000115.8S305S305-G308 WeakPolarHBondContact O-CA 3.49Å; S305-G308 PolarHBondContact O-N 3.43Å
309Q90.5Very high79.6Confident68 Ų6842.6 Ų42.632%0.31822%0.224SC..SBendtrans-83.3-27.5-177.1-63.6-58.5-50.700113.4E285 K286 A287 S305 D307E285-Q309 WeakPolarHBondContact O-CB 3.25Å; K286-Q309 VanDerWaalsContact CA-O 3.31Å; K286-Q309 WeakPolarHBondContact CA-O 3.41Å; K286-Q309 HydrophobicContact CB-CB 4.41Å; K286-Q309 HydrophobicContact CG-CB 4.46Å; K286-Q309 WeakPolarHBondContact CG-O 3.5Å; A287-Q309 PolarHBondContact N-O 2.9Å; A287-Q309 VanDerWaalsContact N-O 3.08Å; S305-Q309 PolarHBondContact OG-N 3.18Å; D307-Q309 HydrophobicContact CB-CG 4.33Å; D307-Q309 PolarHBondContact O-N 3.09Å; D307-Q309 PolarHBondContact OD1-N 2.73Å; D307-Q309 VanDerWaalsContact OD1-N 3.08Å
310I93.5Very high80.2Confident0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-109.6123.7174.3-63.7171.4000107.6F266 F270 V271 V274 R275 A287 R304 S305F266-I310 HydrophobicContact CZ-CG2 4.34Å; F270-I310 HydrophobicContact CD1-CG2 4.08Å; F270-I310 HydrophobicContact CE1-CG2 3.49Å; F270-I310 VanDerWaalsContact CE1-CG2 3.49Å; F270-I310 HydrophobicContact CZ-CG2 4.46Å; V271-I310 HydrophobicContact CG1-CD1 4.2Å; V271-I310 HydrophobicContact CG2-CB 4.41Å; V271-I310 HydrophobicContact CG2-CG2 3.98Å; V274-I310 HydrophobicContact CB-CD1 4.45Å; V274-I310 HydrophobicContact CG1-CD1 4.15Å; R275-I310 HydrophobicContact CG-CD1 3.6Å; A287-I310 HydrophobicContact CB-CG1 4.15Å; A287-I310 HydrophobicContact CB-CG2 4.43Å; A287-I310 WeakPolarHBondContact O-CA 3.39Å; R304-I310 CarbonylContact C-O 3.59Å; R304-I310 VanDerWaalsContact CA-O 3.29Å; R304-I310 WeakPolarHBondContact CA-O 3.19Å; S305-I310 PolarHBondContact N-O 3.02Å; S305-I310 PolarHBondContact OG-N 3.09Å; S305-I310 PolarHBondContact OG-O 2.99Å
311F90.4Very high80.7Confident12 Ų1243 Ų435%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-151.2157.5-175.555.4-88.4000112.9F162 A287 V288 L289 L303 R304F162-F311 AromaticContact CE2-CE2 3.94Å; F162-F311 HydrophobicContact CE2-CE2 3.94Å; F162-F311 AromaticContact CE2-CZ 4Å; F162-F311 HydrophobicContact CE2-CZ 4Å; F162-F311 AromaticContact CZ-CE2 3.43Å; F162-F311 HydrophobicContact CZ-CE2 3.43Å; F162-F311 VanDerWaalsContact CZ-CE2 3.43Å; F162-F311 AromaticContact CZ-CZ 3.53Å; F162-F311 HydrophobicContact CZ-CZ 3.53Å; A287-F311 PolarHBondContact O-N 3.2Å; A287-F311 VanDerWaalsContact O-N 3.09Å; V288-F311 CarbonylContact C-O 3.41Å; V288-F311 VanDerWaalsContact CA-O 3.31Å; V288-F311 WeakPolarHBondContact CA-O 3.36Å; V288-F311 HydrophobicContact CG2-CD2 4.45Å; V288-F311 HydrophobicContact CG2-CE2 4.23Å; L289-F311 PolarHBondContact N-O 2.97Å; L303-F311 CarbonylContact O-C 3.47Å; L303-F311 VanDerWaalsContact O-CA 3.28Å; L303-F311 WeakPolarHBondContact O-CA 3.3Å; R304-F311 HydrophobicContact CB-CB 4.34Å; R304-F311 HydrophobicContact CG-CB 3.71Å
312A89.8Confident81.5Confident0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-86.3159.4175.600000112.8L289 L291 E300 L303L289-A312 HydrophobicContact CB-CB 4.46Å; L289-A312 CarbonylContact O-C 3.58Å; L289-A312 WeakPolarHBondContact O-CA 3.3Å; L291-A312 HydrophobicContact CD1-CB 4.03Å; E300-A312 WeakPolarHBondContact CG-O 3.47Å; L303-A312 HydrophobicContact CB-CB 3.58Å; L303-A312 HydrophobicContact CD1-CB 3.71Å; L303-A312 HydrophobicContact CG-CB 4.34Å; L303-A312 PolarHBondContact O-N 2.92Å
313K88.8Confident82.3Confident49 Ų4941.7 Ų41.721%0.21323%0.227CC..EExtended strand (participates in β ladder)trans-137.8149.8165.7-84-160.4160-63.60109.4F159 F162 V288 L289 L290 L291 E300F159-K313 HydrophobicContact CD2-CD 4.37Å; F159-K313 HydrophobicContact CE2-CD 4.16Å; F162-K313 HydrophobicContact CD1-CD 4.03Å; F162-K313 HydrophobicContact CD2-CD 4.5Å; F162-K313 VanDerWaalsContact CD2-CE 3.5Å; F162-K313 HydrophobicContact CE1-CD 3.78Å; F162-K313 HydrophobicContact CE2-CD 4.25Å; F162-K313 HydrophobicContact CG-CD 4.4Å; F162-K313 HydrophobicContact CZ-CD 3.9Å; F162-K313 VanDerWaalsContact CZ-CE 3.46Å; V288-K313 HydrophobicContact CG2-CB 3.94Å; V288-K313 HydrophobicContact CG2-CD 4.12Å; V288-K313 HydrophobicContact CG2-CG 3.82Å; L289-K313 PolarHBondContact O-N 3.43Å; L290-K313 CarbonylContact C-O 3.57Å; L290-K313 WeakPolarHBondContact CA-O 3.28Å; L290-K313 HydrophobicContact CD1-CB 4.18Å; L291-K313 PolarHBondContact N-O 3.03Å; E300-K313 WeakPolarHBondContact OE1-CG 3.44Å; E300-K313 IonicContact OE1-NZ 3.64Å; E300-K313 PolarHBondContact OE1-NZ 2.91Å; E300-K313 VanDerWaalsContact OE1-NZ 3.14Å
314Y85.5Confident82.6Confident39 Ų3941.6 Ų41.615%0.15323%0.227CC..EExtended strand (participates in β ladder)trans-105.9139.3-179.4-73.6-97000111.3L291 D292 H297 P298 E300 L303L291-Y314 HydrophobicContact CB-CD1 4.43Å; L291-Y314 HydrophobicContact CB-CE1 4.17Å; L291-Y314 CarbonylContact O-C 3.58Å; L291-Y314 WeakPolarHBondContact O-CA 3.48Å; D292-Y314 WeakPolarHBondContact O-CD1 3.32Å; D292-Y314 WeakPolarHBondContact O-CE1 3.44Å; H297-Y314 HydrophobicContact CB-CE1 3.82Å; H297-Y314 WeakPolarHBondContact CB-OH 3.32Å; P298-Y314 PolarHBondContact O-OH 3.45Å; E300-Y314 HydrophobicContact CB-CD2 3.7Å; E300-Y314 HydrophobicContact CB-CE2 3.68Å; E300-Y314 HydrophobicContact CG-CD2 4.02Å; E300-Y314 HydrophobicContact CG-CE2 4.25Å; L303-Y314 WeakPolarHBondContact CD1-OH 3.4Å
315L83.5Confident82.9Confident3 Ų337.1 Ų37.12%0.01621%0.21CC..  trans-63.8155.3163.8-67.7175.2000110.3F155 L290 L291 N293 A320 I323 Q324 I388F155-L315 HydrophobicContact CD1-CD2 4.45Å; F155-L315 HydrophobicContact CE1-CD2 3.59Å; F155-L315 HydrophobicContact CZ-CD2 3.74Å; L290-L315 HydrophobicContact CD1-CD2 3.86Å; L290-L315 HydrophobicContact CD1-CG 4.09Å; L290-L315 HydrophobicContact CD2-CD2 3.71Å; L290-L315 HydrophobicContact CD2-CG 4.38Å; L290-L315 HydrophobicContact CG-CD2 3.85Å; L290-L315 HydrophobicContact CG-CG 4.03Å; L291-L315 PolarHBondContact O-N 3.16Å; N293-L315 PolarHBondContact ND2-O 2.79Å; L315-A320 HydrophobicContact CB-CB 4.06Å; L315-A320 HydrophobicContact CD1-CB 4.27Å; L315-I323 HydrophobicContact CD1-CG1 4.45Å; L315-I323 HydrophobicContact CD2-CD1 3.78Å; L315-I323 HydrophobicContact CD2-CG1 3.94Å; L315-Q324 HydrophobicContact CD1-CB 3.81Å; L315-Q324 HydrophobicContact CD1-CG 4.39Å; L315-I388 HydrophobicContact CD2-CD1 4.12Å
316P77.3Confident83Confident28 Ų2837 Ų3718%0.18221%0.21CC..  trans-69.3136171.4-8.223.4000110F155 N318 V319 A320F155-P316 HydrophobicContact CB-CG 3.67Å; F155-P316 HydrophobicContact CD1-CG 4.42Å; F155-P316 VanDerWaalsContact CD2-CD 3.48Å; F155-P316 HydrophobicContact CD2-CG 3.43Å; F155-P316 VanDerWaalsContact CD2-CG 3.43Å; F155-P316 HydrophobicContact CE2-CG 4.2Å; F155-P316 HydrophobicContact CG-CG 3.56Å; P316-N318 PolarHBondContact O-N 2.51Å; P316-V319 HydrophobicContact CB-CG2 3.86Å; P316-V319 HydrophobicContact CG-CG2 3.72Å; P316-V319 PolarHBondContact O-N 2.86Å; P316-A320 PolarHBondContact O-N 2.83Å
317P69.1Low83.3Confident36 Ų3632.9 Ų32.923%0.23419%0.187CC..THydrogen-bonded Turntrans-65.6-23.8-17124.5-34.3000114.1N293N293-P317 HydrophobicContact CB-CB 4.34Å; N293-P317 VanDerWaalsContact ND2-CA 3.34Å; N293-P317 WeakPolarHBondContact ND2-CA 3.44Å
318N65.8Low83.4Confident61 Ų6131.7 Ų31.733%0.32618%0.179SC..THydrogen-bonded Turntrans-79.9-21.7179.759.4-50000113.5D148 A151 P316D148-N318 PolarHBondContact OD1-ND2 3.23Å; A151-N318 WeakPolarHBondContact CB-ND2 3.31Å; P316-N318 PolarHBondContact O-N 2.51Å
319V74.6Confident83.5Confident0 Ų031.5 Ų31.50%018%0.177CC..THydrogen-bonded Turntrans-121.1-1.2-175.3-57.50000113.4D148 A151 V152 P316 S321 L322 I323D148-V319 HydrophobicContact CB-CG1 4.24Å; A151-V319 HydrophobicContact CB-CG1 4.04Å; V152-V319 HydrophobicContact CG2-CB 3.59Å; V152-V319 HydrophobicContact CG2-CG1 3.65Å; V152-V319 HydrophobicContact CG2-CG2 4.03Å; P316-V319 HydrophobicContact CB-CG2 3.86Å; P316-V319 HydrophobicContact CG-CG2 3.72Å; P316-V319 PolarHBondContact O-N 2.86Å; V319-S321 VanDerWaalsContact C-N 3.33Å; V319-S321 PolarHBondContact O-N 2.83Å; V319-L322 HydrophobicContact CB-CD1 4.44Å; V319-L322 HydrophobicContact CG1-CD1 4.48Å; V319-L322 WeakPolarHBondContact O-CA 3.45Å; V319-L322 WeakPolarHBondContact O-CB 3.32Å; V319-L322 PolarHBondContact O-N 3.2Å; V319-I323 HydrophobicContact CG2-CD1 3.74Å; V319-I323 HydrophobicContact CG2-CG1 4.29Å; V319-I323 WeakPolarHBondContact O-CG1 3.41Å; V319-I323 PolarHBondContact O-N 3.08Å
320A74.9Confident83.5Confident12 Ų1228.4 Ų28.410%0.09916%0.163CC..Hα-helixtrans-51.5-48.6-176.100000112.4L315 P316 L322 I323 Q324L315-A320 HydrophobicContact CB-CB 4.06Å; L315-A320 HydrophobicContact CD1-CB 4.27Å; P316-A320 PolarHBondContact O-N 2.83Å; A320-L322 PolarHBondContact O-N 2.62Å; A320-L322 VanDerWaalsContact O-N 3.12Å; A320-I323 PolarHBondContact O-N 2.8Å; A320-Q324 WeakPolarHBondContact O-CA 3.46Å; A320-Q324 WeakPolarHBondContact O-CB 3.34Å; A320-Q324 PolarHBondContact O-N 3.08Å
321S76.9Confident83.4Confident92 Ų9229 Ų2964%0.64317%0.166SC*.Hα-helixtrans-61.6-21.8177.155.70000114.4V319V319-S321 VanDerWaalsContact C-N 3.33Å; V319-S321 PolarHBondContact O-N 2.83Å
322L79.1Confident83.3Confident81 Ų8130.1 Ų30.142%0.42418%0.178SC..Hα-helixtrans-85.7-31.2180-60.1175.8000112.7D148 V319 A320 Q328 K387D148-L322 HydrophobicContact CB-CD1 4.43Å; V319-L322 HydrophobicContact CB-CD1 4.44Å; V319-L322 HydrophobicContact CG1-CD1 4.48Å; V319-L322 WeakPolarHBondContact O-CA 3.45Å; V319-L322 WeakPolarHBondContact O-CB 3.32Å; V319-L322 PolarHBondContact O-N 3.2Å; A320-L322 PolarHBondContact O-N 2.62Å; A320-L322 VanDerWaalsContact O-N 3.12Å; L322-Q328 PolarHBondContact O-NE2 2.94Å; L322-K387 VanDerWaalsContact O-CD 3.31Å; L322-K387 WeakPolarHBondContact O-CD 3.1Å; L322-K387 PolarHBondContact O-NZ 3.06Å
323I84.8Confident83.3Confident3 Ų330.5 Ų30.52%0.01518%0.18CC..Hα-helixtrans-121.6-12-169.267.8176.7000114.9V152 F155 L315 V319 A320 P325 I388V152-I323 HydrophobicContact CB-CG2 4.35Å; V152-I323 HydrophobicContact CG1-CG2 3.73Å; V152-I323 HydrophobicContact CG2-CG2 3.64Å; F155-I323 HydrophobicContact CD1-CD1 3.6Å; F155-I323 HydrophobicContact CE1-CD1 3.99Å; F155-I323 HydrophobicContact CG-CD1 4.42Å; L315-I323 HydrophobicContact CD1-CG1 4.45Å; L315-I323 HydrophobicContact CD2-CD1 3.78Å; L315-I323 HydrophobicContact CD2-CG1 3.94Å; V319-I323 HydrophobicContact CG2-CD1 3.74Å; V319-I323 HydrophobicContact CG2-CG1 4.29Å; V319-I323 WeakPolarHBondContact O-CG1 3.41Å; V319-I323 PolarHBondContact O-N 3.08Å; A320-I323 PolarHBondContact O-N 2.8Å; I323-P325 WeakPolarHBondContact O-CD 3.49Å; I323-P325 VanDerWaalsContact O-N 3.14Å; I323-I388 HydrophobicContact CB-CD1 4.37Å; I323-I388 HydrophobicContact CB-CG1 4.19Å; I323-I388 HydrophobicContact CG1-CD1 4.45Å; I323-I388 WeakPolarHBondContact O-CD1 3.48Å
324Q88.3Confident83.5Confident1 Ų128.1 Ų28.11%0.00517%0.17CC..  trans-55.5115.3178.8173.871.6-36.700110.2N175 A176 D177 L315 A320 S326 D327 Q328N175-Q324 PolarHBondContact ND2-OE1 2.83Å; A176-Q324 PolarHBondContact O-NE2 2.82Å; D177-Q324 WeakPolarHBondContact OD2-CG 3.27Å; D177-Q324 PolarHBondContact OD2-NE2 2.92Å; L315-Q324 HydrophobicContact CD1-CB 3.81Å; L315-Q324 HydrophobicContact CD1-CG 4.39Å; A320-Q324 WeakPolarHBondContact O-CA 3.46Å; A320-Q324 WeakPolarHBondContact O-CB 3.34Å; A320-Q324 PolarHBondContact O-N 3.08Å; Q324-S326 PolarHBondContact O-N 3.23Å; Q324-D327 HydrophobicContact CB-CB 4.24Å; Q324-D327 HydrophobicContact CG-CB 4.13Å; Q324-D327 PolarHBondContact O-N 2.57Å; Q324-Q328 WeakPolarHBondContact O-CG 3.3Å; Q324-Q328 PolarHBondContact O-N 3.04Å; Q324-Q328 PolarHBondContact O-NE2 2.62Å
325P90.3Very high83.7Confident2 Ų226.6 Ų26.61%0.01316%0.164CC..G310 helixtrans-60.5-44.1-173.1-27.635.5000113.5N175 I323 D327 Q328 A384 W385 I388N175-P325 HydrophobicContact CB-CB 4.27Å; N175-P325 HydrophobicContact CB-CG 4.21Å; I323-P325 WeakPolarHBondContact O-CD 3.49Å; I323-P325 VanDerWaalsContact O-N 3.14Å; P325-D327 PolarHBondContact O-N 3Å; P325-D327 VanDerWaalsContact O-N 3.14Å; P325-Q328 WeakPolarHBondContact O-CB 3.35Å; P325-Q328 PolarHBondContact O-N 3.14Å; P325-A384 HydrophobicContact CB-CB 4.39Å; P325-A384 VanDerWaalsContact O-CB 3.32Å; P325-A384 WeakPolarHBondContact O-CB 3.46Å; P325-W385 HydrophobicContact CB-CD2 3.94Å; P325-W385 HydrophobicContact CB-CE3 4.49Å; P325-W385 HydrophobicContact CB-CG 4.21Å; P325-W385 HydrophobicContact CB-CZ2 4.28Å; P325-W385 HydrophobicContact CG-CD2 3.68Å; P325-W385 HydrophobicContact CG-CE3 3.73Å; P325-W385 HydrophobicContact CG-CG 4.35Å; P325-W385 HydrophobicContact CG-CH2 4.03Å; P325-W385 HydrophobicContact CG-CZ2 4Å; P325-W385 HydrophobicContact CG-CZ3 3.89Å; P325-I388 HydrophobicContact CG-CD1 3.96Å
326S90.2Very high83.9Confident8 Ų830.4 Ų30.46%0.05618%0.178CC..G310 helixtrans-59.7-29.9-179.1-67.20000113.4N175 D177 Q324 V330 I331N175-S326 VanDerWaalsContact OD1-CB 3.31Å; N175-S326 WeakPolarHBondContact OD1-CB 3.35Å; N175-S326 PolarHBondContact OD1-N 2.86Å; N175-S326 PolarHBondContact OD1-OG 3.15Å; D177-S326 VanDerWaalsContact CB-CB 3.46Å; Q324-S326 PolarHBondContact O-N 3.23Å; S326-V330 PolarHBondContact O-N 2.95Å; S326-I331 PolarHBondContact O-N 3.22Å
327D87.5Confident84.4Confident88 Ų8829.5 Ų29.547%0.47117%0.172SC..G310 helixtrans-80.8-12.2175.4-75-21.7000113.7Q324 P325 G329Q324-D327 HydrophobicContact CB-CB 4.24Å; Q324-D327 HydrophobicContact CG-CB 4.13Å; Q324-D327 PolarHBondContact O-N 2.57Å; P325-D327 PolarHBondContact O-N 3Å; P325-D327 VanDerWaalsContact O-N 3.14Å; D327-G329 PolarHBondContact O-N 3.15Å
328Q86.3Confident85.4Confident55 Ų5527.8 Ų27.826%0.25716%0.16SC..THydrogen-bonded Turntrans-81.642.8174.5-52.9-50.8-5800112.3L322 Q324 P325 A384 K387L322-Q328 PolarHBondContact O-NE2 2.94Å; Q324-Q328 WeakPolarHBondContact O-CG 3.3Å; Q324-Q328 PolarHBondContact O-N 3.04Å; Q324-Q328 PolarHBondContact O-NE2 2.62Å; P325-Q328 WeakPolarHBondContact O-CB 3.35Å; P325-Q328 PolarHBondContact O-N 3.14Å; Q328-A384 HydrophobicContact CB-CB 3.9Å; Q328-K387 HydrophobicContact CG-CD 4.4Å
329G85.6Confident86.3Confident23 Ų2325 Ų2524%0.23715%0.145CC..THydrogen-bonded Turntrans98.7-14.6172.900000115.9D327 A332 T333D327-G329 PolarHBondContact O-N 3.15Å; G329-A332 PolarHBondContact O-N 2.94Å; G329-T333 WeakPolarHBondContact O-CB 3.19Å; G329-T333 PolarHBondContact O-N 3.07Å; G329-T333 PolarHBondContact O-OG1 2.83Å
330V91.1Very high86.7Confident4 Ų425.1 Ų25.12%0.02415%0.147CC..Hα-helixtrans-61.9-51.7-179.7176.70000111.4S326 T333 M334 W373 V376 I381 A384S326-V330 PolarHBondContact O-N 2.95Å; V330-T333 PolarHBondContact O-N 3.07Å; V330-M334 PolarHBondContact O-N 2.87Å; V330-W373 HydrophobicContact CG1-CH2 4.1Å; V330-W373 HydrophobicContact CG1-CZ3 3.75Å; V330-V376 HydrophobicContact CG1-CG1 4.31Å; V330-I381 HydrophobicContact CG1-CG1 4.14Å; V330-I381 HydrophobicContact CG2-CB 4.5Å; V330-I381 HydrophobicContact CG2-CG1 4.09Å; V330-A384 HydrophobicContact CG2-CB 3.67Å
331I90.9Very high87.1Confident11 Ų1125 Ų256%0.05615%0.147CC..Hα-helixtrans-64.4-42.6177.9-74.9170.1000111.1D177 T179 S326 T333 M334 K335D177-I331 HydrophobicContact CB-CD1 3.98Å; T179-I331 HydrophobicContact CG2-CG2 3.8Å; S326-I331 PolarHBondContact O-N 3.22Å; I331-T333 PolarHBondContact O-N 2.81Å; I331-M334 PolarHBondContact O-N 3.06Å; I331-K335 HydrophobicContact CG2-CD 3.94Å; I331-K335 HydrophobicContact CG2-CG 4.48Å; I331-K335 WeakPolarHBondContact O-CG 3.27Å; I331-K335 PolarHBondContact O-N 2.84Å
332A88.8Confident87.3Confident37 Ų3721 Ų2131%0.30612%0.118SC..Hα-helixtrans-60.8-44.7179.300000111.5G329 K335 R336G329-A332 PolarHBondContact O-N 2.94Å; A332-K335 PolarHBondContact O-N 3.14Å; A332-R336 WeakPolarHBondContact O-CG 3.43Å; A332-R336 PolarHBondContact O-N 2.84Å
333T90.2Very high87.2Confident7 Ų717.3 Ų17.34%0.04310%0.099CC..Hα-helixtrans-64-43.8176.5-63.20000111.6G329 V330 I331 K335 R336 N337G329-T333 WeakPolarHBondContact O-CB 3.19Å; G329-T333 PolarHBondContact O-N 3.07Å; G329-T333 PolarHBondContact O-OG1 2.83Å; V330-T333 PolarHBondContact O-N 3.07Å; I331-T333 PolarHBondContact O-N 2.81Å; T333-K335 VanDerWaalsContact C-N 3.33Å; T333-K335 PolarHBondContact O-N 3.16Å; T333-R336 PolarHBondContact O-N 2.88Å; T333-N337 WeakPolarHBondContact O-CB 3.46Å; T333-N337 PolarHBondContact O-N 3Å; T333-N337 PolarHBondContact O-OD1 2.85Å
334M92.4Very high86.8Confident0 Ų021.8 Ų21.80%012%0.12CC..Hα-helixtrans-57.6-45.7175.2-178-85.6-74.400111.7T179 I211 V330 I331 N337 Y338 A372 W373 V376T179-M334 HydrophobicContact CG2-CE 4.46Å; I211-M334 HydrophobicContact CD1-CE 4.24Å; I211-M334 HydrophobicContact CG2-CE 4.02Å; V330-M334 PolarHBondContact O-N 2.87Å; I331-M334 PolarHBondContact O-N 3.06Å; M334-N337 WeakPolarHBondContact O-CB 3.48Å; M334-N337 PolarHBondContact O-N 3.06Å; M334-Y338 PolarHBondContact O-N 2.87Å; M334-A372 HydrophobicContact CG-CB 4.43Å; M334-W373 HydrophobicContact CB-CE3 4.4Å; M334-W373 HydrophobicContact CG-CB 4.4Å; M334-W373 HydrophobicContact CG-CE3 4.18Å; M334-V376 HydrophobicContact CB-CG2 3.82Å; M334-V376 HydrophobicContact CG-CG2 4.46Å
335K89.8Confident86.2Confident7 Ų724.2 Ų24.23%0.0313%0.132CC..Hα-helixtrans-63.6-43.8178.3-73.8173.9160.5-161.40112.1T179 G180 L181 I331 A332 T333 N337 Y338 R339 D435T179-K335 VanDerWaalsContact OG1-CE 3.24Å; T179-K335 WeakPolarHBondContact OG1-CE 3.48Å; T179-K335 PolarHBondContact OG1-NZ 3.03Å; G180-K335 VanDerWaalsContact O-CE 3.28Å; G180-K335 WeakPolarHBondContact O-CE 3.38Å; G180-K335 PolarHBondContact O-NZ 2.87Å; L181-K335 HydrophobicContact CD1-CG 4.19Å; I331-K335 HydrophobicContact CG2-CD 3.94Å; I331-K335 HydrophobicContact CG2-CG 4.48Å; I331-K335 WeakPolarHBondContact O-CG 3.27Å; I331-K335 PolarHBondContact O-N 2.84Å; A332-K335 PolarHBondContact O-N 3.14Å; T333-K335 VanDerWaalsContact C-N 3.33Å; T333-K335 PolarHBondContact O-N 3.16Å; K335-N337 VanDerWaalsContact C-N 3.34Å; K335-N337 PolarHBondContact O-N 2.88Å; K335-Y338 WeakPolarHBondContact O-CB 3.38Å; K335-Y338 PolarHBondContact O-N 2.74Å; K335-R339 VanDerWaalsContact O-CG 3.26Å; K335-R339 WeakPolarHBondContact O-CG 3.47Å; K335-R339 PolarHBondContact O-N 2.85Å; K335-D435 VanDerWaalsContact CD-OD1 3.24Å; K335-D435 WeakPolarHBondContact CD-OD1 3.36Å; K335-D435 VanDerWaalsContact CE-OD1 3.32Å; K335-D435 WeakPolarHBondContact CE-OD1 3.45Å; K335-D435 VanDerWaalsContact NZ-C 3.35Å; K335-D435 PolarHBondContact NZ-O 2.91Å; K335-D435 IonicContact NZ-OD1 3.02Å; K335-D435 PolarHBondContact NZ-OD1 3.09Å
336R87.2Confident85.3Confident82 Ų8224.2 Ų24.231%0.30913%0.132SC..Hα-helixtrans-60-44.5174.7-71.3179.4-169.3134.10.4111.6A332 T333 Y338 R339 A340 L432A332-R336 WeakPolarHBondContact O-CG 3.43Å; A332-R336 PolarHBondContact O-N 2.84Å; T333-R336 PolarHBondContact O-N 2.88Å; R336-Y338 VanDerWaalsContact C-N 3.34Å; R336-Y338 PolarHBondContact O-N 3.13Å; R336-R339 PolarHBondContact O-N 3Å; R336-A340 WeakPolarHBondContact O-CB 3.32Å; R336-A340 PolarHBondContact O-N 3.12Å; R336-L432 HydrophobicContact CG-CD2 4.35Å
337N88.9Confident84.2Confident10 Ų1026.8 Ų26.85%0.05315%0.145CC..Hα-helixtrans-58.5-45.1175.9-68.6-11.4000111.9T333 M334 K335 R339 A340 G341 A372 L375 I405T333-N337 WeakPolarHBondContact O-CB 3.46Å; T333-N337 PolarHBondContact O-N 3Å; T333-N337 PolarHBondContact O-OD1 2.85Å; M334-N337 WeakPolarHBondContact O-CB 3.48Å; M334-N337 PolarHBondContact O-N 3.06Å; K335-N337 VanDerWaalsContact C-N 3.34Å; K335-N337 PolarHBondContact O-N 2.88Å; N337-R339 PolarHBondContact O-N 3.05Å; N337-A340 PolarHBondContact O-N 3.28Å; N337-G341 PolarHBondContact O-N 3.01Å; N337-A372 HydrophobicContact CB-CB 3.89Å; N337-A372 PolarHBondContact ND2-O 3.32Å; N337-L375 HydrophobicContact CB-CD1 4.48Å; N337-I405 HydrophobicContact CB-CD1 4.42Å; N337-I405 VanDerWaalsContact OD1-CD1 3.23Å; N337-I405 WeakPolarHBondContact OD1-CD1 3.5Å
338Y90.1Very high83.3Confident0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-59-46.7176.2171-95000112L181 W183 M334 K335 R336 L342 E368 I369L181-Y338 HydrophobicContact CD1-CD1 3.99Å; L181-Y338 HydrophobicContact CD1-CE1 4.35Å; L181-Y338 HydrophobicContact CD2-CD1 3.97Å; L181-Y338 HydrophobicContact CD2-CD2 4.25Å; L181-Y338 HydrophobicContact CD2-CE1 3.96Å; L181-Y338 HydrophobicContact CD2-CE2 4.21Å; L181-Y338 HydrophobicContact CD2-CG 4.13Å; L181-Y338 HydrophobicContact CG-CD1 4.48Å; L181-Y338 HydrophobicContact CG-CE1 4.45Å; W183-Y338 WeakPolarHBondContact CA-OH 3.45Å; W183-Y338 WeakPolarHBondContact CB-OH 3.48Å; W183-Y338 PolarHBondContact O-OH 2.86Å; M334-Y338 PolarHBondContact O-N 2.87Å; K335-Y338 WeakPolarHBondContact O-CB 3.38Å; K335-Y338 PolarHBondContact O-N 2.74Å; R336-Y338 VanDerWaalsContact C-N 3.34Å; R336-Y338 PolarHBondContact O-N 3.13Å; Y338-L342 HydrophobicContact CE1-CD2 4.45Å; Y338-L342 WeakPolarHBondContact O-CB 3.37Å; Y338-L342 PolarHBondContact O-N 3.16Å; Y338-E368 HydrophobicContact CD2-CB 3.98Å; Y338-E368 HydrophobicContact CD2-CG 3.67Å; Y338-E368 HydrophobicContact CE2-CB 3.82Å; Y338-E368 HydrophobicContact CE2-CG 3.81Å; Y338-I369 HydrophobicContact CD2-CG1 3.69Å; Y338-I369 HydrophobicContact CE2-CD1 4.48Å; Y338-I369 HydrophobicContact CE2-CG1 3.72Å
339R85.3Confident82.5Confident1 Ų131.4 Ų31.40%0.00416%0.164CC..Hα-helixtrans-64.6-41.6-179.3-66.3-62.3179-168.8-5.2111.8F182 C185 K335 R336 N337 L343 W431 L432 D435F182-R339 VanDerWaalsContact O-CZ 3.28Å; F182-R339 PolarHBondContact O-NH1 3.38Å; F182-R339 PolarHBondContact O-NH2 3.28Å; C185-R339 PolarHBondContact O-NH1 3.27Å; K335-R339 VanDerWaalsContact O-CG 3.26Å; K335-R339 WeakPolarHBondContact O-CG 3.47Å; K335-R339 PolarHBondContact O-N 2.85Å; R336-R339 PolarHBondContact O-N 3Å; N337-R339 PolarHBondContact O-N 3.05Å; R339-L343 WeakPolarHBondContact O-CG 2.79Å; R339-L343 PolarHBondContact O-N 3.05Å; R339-W431 HydrophobicContact CB-CH2 3.55Å; R339-W431 HydrophobicContact CB-CZ2 3.99Å; R339-W431 HydrophobicContact CB-CZ3 3.92Å; R339-W431 HydrophobicContact CG-CH2 4.18Å; R339-W431 HydrophobicContact CG-CZ2 4.16Å; R339-L432 HydrophobicContact CB-CD2 3.86Å; R339-L432 HydrophobicContact CG-CD2 4.22Å; R339-D435 IonicContact CZ-OD2 2.65Å; R339-D435 IonicContact NH2-OD2 2.58Å; R339-D435 PolarHBondContact NH2-OD2 3.14Å
340A82.5Confident81.3Confident4 Ų433.6 Ų33.63%0.03319%0.186CC..Hα-helixtrans-67.6-47.1178.200000111.9R336 N337 L342 L343 Q344 I405 V410R336-A340 WeakPolarHBondContact O-CB 3.32Å; R336-A340 PolarHBondContact O-N 3.12Å; N337-A340 PolarHBondContact O-N 3.28Å; A340-L342 VanDerWaalsContact C-N 3.32Å; A340-L342 PolarHBondContact O-N 3.07Å; A340-L343 PolarHBondContact O-N 3.26Å; A340-L343 VanDerWaalsContact O-N 3.14Å; A340-Q344 PolarHBondContact O-N 2.88Å; A340-I405 HydrophobicContact CB-CD1 3.64Å; A340-I405 HydrophobicContact CB-CG2 3.85Å; A340-V410 HydrophobicContact CB-CG2 4.18Å
341G83.2Confident80Confident10 Ų1035.7 Ų35.710%0.10320%0.197CC..Hα-helixtrans-62.7-37.8177.800000112.7N337 L343 Q344 N345 E368N337-G341 PolarHBondContact O-N 3.01Å; G341-L343 VanDerWaalsContact C-N 3.29Å; G341-L343 PolarHBondContact O-N 3.22Å; G341-Q344 PolarHBondContact O-N 2.87Å; G341-N345 VanDerWaalsContact O-CG 3.25Å; G341-N345 PolarHBondContact O-N 2.76Å; G341-N345 PolarHBondContact O-ND2 2.94Å; G341-E368 WeakPolarHBondContact CA-OE1 3.4Å
342L81.4Confident79Confident7 Ų739 Ų394%0.03722%0.215CC..Hα-helixtrans-59.5-38.9173.8-16972.3000112.9Y338 A340 N346 F356 L360Y338-L342 HydrophobicContact CE1-CD2 4.45Å; Y338-L342 WeakPolarHBondContact O-CB 3.37Å; Y338-L342 PolarHBondContact O-N 3.16Å; A340-L342 VanDerWaalsContact C-N 3.32Å; A340-L342 PolarHBondContact O-N 3.07Å; L342-N346 PolarHBondContact O-N 3.25Å; L342-F356 HydrophobicContact CD1-CE1 3.92Å; L342-F356 HydrophobicContact CD1-CZ 3.85Å; L342-F356 HydrophobicContact CG-CE1 4.03Å; L342-F356 HydrophobicContact CG-CZ 4.3Å; L342-L360 HydrophobicContact CD1-CD1 3.78Å; L342-L360 HydrophobicContact CD1-CD2 3.83Å; L342-L360 HydrophobicContact CD1-CG 4.48Å; L342-L360 HydrophobicContact CD2-CD2 4.37Å
343L76.4Confident78.1Confident3 Ų337.4 Ų37.42%0.01620%0.201CC..Hα-helixtrans-74.2-38.6177-68.5171.7000111.9R339 A340 G341 N346 L347 V410 I413 L414 L420 W431R339-L343 WeakPolarHBondContact O-CG 2.79Å; R339-L343 PolarHBondContact O-N 3.05Å; A340-L343 PolarHBondContact O-N 3.26Å; A340-L343 VanDerWaalsContact O-N 3.14Å; G341-L343 VanDerWaalsContact C-N 3.29Å; G341-L343 PolarHBondContact O-N 3.22Å; L343-N346 WeakPolarHBondContact O-CB 3.48Å; L343-N346 PolarHBondContact O-N 2.84Å; L343-L347 PolarHBondContact O-N 3.24Å; L343-L347 VanDerWaalsContact O-N 3.09Å; L343-V410 HydrophobicContact CD1-CG1 3.74Å; L343-I413 HydrophobicContact CB-CG2 3.64Å; L343-I413 HydrophobicContact CD1-CG2 4.39Å; L343-L414 HydrophobicContact CD1-CD1 4.4Å; L343-L414 HydrophobicContact CD1-CD2 3.59Å; L343-L414 HydrophobicContact CD1-CG 3.89Å; L343-L414 HydrophobicContact CD2-CD2 3.74Å; L343-L414 HydrophobicContact CG-CD2 4.31Å; L343-L420 HydrophobicContact CD2-CD1 4.27Å; L343-W431 HydrophobicContact CD1-CH2 3.56Å; L343-W431 HydrophobicContact CD1-CZ3 3.84Å; L343-W431 HydrophobicContact CD2-CH2 4.46Å; L343-W431 HydrophobicContact CG-CH2 3.97Å
344Q77.3Confident77Confident98 Ų9842 Ų4246%0.45822%0.221SC..Hα-helixtrans-62-46.6177.1-176.1174.6-8.800111.3A340 G341 N346 L347 E348A340-Q344 PolarHBondContact O-N 2.88Å; G341-Q344 PolarHBondContact O-N 2.87Å; Q344-N346 PolarHBondContact O-N 3.41Å; Q344-L347 WeakPolarHBondContact O-CB 3.16Å; Q344-L347 PolarHBondContact O-N 3.31Å; Q344-E348 PolarHBondContact NE2-OE1 3.21Å; Q344-E348 VanDerWaalsContact NE2-OE1 3.09Å; Q344-E348 PolarHBondContact O-N 3.22Å
345N75.3Confident76.1Confident51 Ų5143.8 Ų43.827%0.27323%0.233SC..Hα-helixtrans-58.7-37.2176-66.2-14.1000111.7G341 E349 F356 E368G341-N345 VanDerWaalsContact O-CG 3.25Å; G341-N345 PolarHBondContact O-N 2.76Å; G341-N345 PolarHBondContact O-ND2 2.94Å; N345-E349 WeakPolarHBondContact O-CG 2.9Å; N345-E349 PolarHBondContact O-N 3.19Å; N345-E349 VanDerWaalsContact O-N 3.14Å; N345-F356 HydrophobicContact CB-CE2 4.47Å; N345-E368 PolarHBondContact ND2-OE2 3.32Å
346N71.9Confident75.4Confident3 Ų344 Ų442%0.01623%0.234CC..Hα-helixtrans-64.7-40.9175.4174.8-118.3000112.7L342 L343 Q344 G350 N351 F356 T417L342-N346 PolarHBondContact O-N 3.25Å; L343-N346 WeakPolarHBondContact O-CB 3.48Å; L343-N346 PolarHBondContact O-N 2.84Å; Q344-N346 PolarHBondContact O-N 3.41Å; N346-G350 PolarHBondContact O-N 3.01Å; N346-N351 PolarHBondContact ND2-O 3.42Å; N346-F356 HydrophobicContact CB-CD1 3.91Å; N346-F356 HydrophobicContact CB-CD2 4.12Å; N346-F356 HydrophobicContact CB-CE1 4.07Å; N346-F356 HydrophobicContact CB-CE2 4.26Å; N346-F356 HydrophobicContact CB-CG 3.94Å; N346-F356 HydrophobicContact CB-CZ 4.23Å; N346-F356 WeakPolarHBondContact ND2-CB 3.29Å; N346-F356 WeakPolarHBondContact ND2-CG 3.25Å; N346-T417 VanDerWaalsContact OD1-CG2 3.31Å; N346-T417 WeakPolarHBondContact OD1-CG2 3.31Å
347L67.2Low74.8Confident61 Ų6144.9 Ų44.932%0.31924%0.238SC..Hα-helixtrans-64.7-44.3176.9-73-177.4000111.8L343 Q344 E349 G350 I413 T417L343-L347 PolarHBondContact O-N 3.24Å; L343-L347 VanDerWaalsContact O-N 3.09Å; Q344-L347 WeakPolarHBondContact O-CB 3.16Å; Q344-L347 PolarHBondContact O-N 3.31Å; L347-E349 VanDerWaalsContact C-N 3.31Å; L347-E349 PolarHBondContact O-N 3.12Å; L347-G350 PolarHBondContact O-N 3.23Å; L347-I413 HydrophobicContact CD1-CB 4.26Å; L347-I413 HydrophobicContact CD1-CG1 4.48Å; L347-I413 HydrophobicContact CD1-CG2 3.61Å; L347-I413 HydrophobicContact CG-CG2 4.34Å; L347-T417 HydrophobicContact CD2-CG2 4.46Å; L347-T417 WeakPolarHBondContact CD2-OG1 3.13Å
348E68.3Low74.1Confident135 Ų13552.5 Ų52.563%0.63127%0.27SS*.Hα-helixtrans-62.9-37.1-179.9-71.2177.2-170.900112.1Q344 G350Q344-E348 PolarHBondContact NE2-OE1 3.21Å; Q344-E348 VanDerWaalsContact NE2-OE1 3.09Å; Q344-E348 PolarHBondContact O-N 3.22Å; E348-G350 PolarHBondContact O-N 2.81Å
349E68.3Low73.6Confident106 Ų10658.6 Ų58.650%0.49530%0.297SS..THydrogen-bonded Turntrans-74.1-11.9175.6-71.9-174.2-175.300114.1N345 L347 N351N345-E349 WeakPolarHBondContact O-CG 2.9Å; N345-E349 PolarHBondContact O-N 3.19Å; N345-E349 VanDerWaalsContact O-N 3.14Å; L347-E349 VanDerWaalsContact C-N 3.31Å; L347-E349 PolarHBondContact O-N 3.12Å; E349-N351 HydrophobicContact CB-CB 4.28Å; E349-N351 PolarHBondContact O-N 3Å; E349-N351 PolarHBondContact OE2-ND2 3.44Å
350G61.6Low73.4Confident68 Ų6859.1 Ų59.170%0.70130%0.3SS*.THydrogen-bonded Turntrans60.913.8-177.300000114.6N346 L347 E348N346-G350 PolarHBondContact O-N 3.01Å; L347-G350 PolarHBondContact O-N 3.23Å; E348-G350 PolarHBondContact O-N 2.81Å
351N64.1Low73.5Confident49 Ų4961.2 Ų61.226%0.26231%0.312SS..  trans-82.7142.6-173.4-81.5-35.5000111.2N346 E349 L353 F356N346-N351 PolarHBondContact ND2-O 3.42Å; E349-N351 HydrophobicContact CB-CB 4.28Å; E349-N351 PolarHBondContact O-N 3Å; E349-N351 PolarHBondContact OE2-ND2 3.44Å; N351-L353 PolarHBondContact O-N 3.01Å; N351-F356 HydrophobicContact CB-CB 4.35Å
352D69.2Low73.7Confident79 Ų7961.8 Ų61.842%0.42231%0.313SS..  trans-55.2134.9166.3173.366.5000109.5K354 S355 F356D352-K354 PolarHBondContact O-N 3.15Å; D352-K354 VanDerWaalsContact O-N 3.1Å; D352-K354 VanDerWaalsContact OD2-CB 3.29Å; D352-K354 WeakPolarHBondContact OD2-CB 2.98Å; D352-K354 PolarHBondContact OD2-N 3.4Å; D352-S355 PolarHBondContact N-OG 3.34Å; D352-S355 WeakPolarHBondContact O-CA 3.07Å; D352-S355 WeakPolarHBondContact O-CB 3.34Å; D352-S355 PolarHBondContact O-N 3.34Å; D352-S355 PolarHBondContact O-OG 3.01Å; D352-F356 PolarHBondContact O-N 3.49Å
353L68.6Low73.9Confident4 Ų462.6 Ų62.62%0.02132%0.317CS..Hα-helixtrans-56.2-34.8-172.8-175.671.6000112.8L186 I190 N351 S355 W357 T417 L420L186-L353 HydrophobicContact CD1-CD2 4.18Å; L186-L353 HydrophobicContact CD1-CG 4.23Å; L186-L353 HydrophobicContact CD2-CD1 4.05Å; L186-L353 HydrophobicContact CD2-CD2 4.33Å; L186-L353 HydrophobicContact CD2-CG 4.33Å; I190-L353 HydrophobicContact CD1-CD2 3.49Å; I190-L353 VanDerWaalsContact CD1-CD2 3.49Å; I190-L353 HydrophobicContact CD1-CG 4.43Å; N351-L353 PolarHBondContact O-N 3.01Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.08Å; L353-W357 VanDerWaalsContact O-CB 3.27Å; L353-W357 WeakPolarHBondContact O-CB 3.44Å; L353-W357 PolarHBondContact O-N 2.89Å; L353-T417 HydrophobicContact CD1-CG2 4.42Å; L353-L420 HydrophobicContact CD1-CD1 4.48Å; L353-L420 HydrophobicContact CD2-CD1 3.4Å; L353-L420 VanDerWaalsContact CD2-CD1 3.4Å; L353-L420 HydrophobicContact CD2-CD2 3.99Å; L353-L420 HydrophobicContact CD2-CG 3.57Å
354K68.9Low74.5Confident103 Ų10366 Ų6645%0.44834%0.335SS..Hα-helixtrans-68.2-35176.7-60.2174.6-179.2167.50111.6D352 K358D352-K354 PolarHBondContact O-N 3.15Å; D352-K354 VanDerWaalsContact O-N 3.1Å; D352-K354 VanDerWaalsContact OD2-CB 3.29Å; D352-K354 WeakPolarHBondContact OD2-CB 2.98Å; D352-K354 PolarHBondContact OD2-N 3.4Å; K354-K358 WeakPolarHBondContact O-CG 3.32Å; K354-K358 PolarHBondContact O-N 2.81Å; K354-K358 VanDerWaalsContact O-N 3.15Å
355S71.8Confident75Confident38 Ų3861.4 Ų61.427%0.26631%0.314SS..Hα-helixtrans-71.4-42177.876.20000111.6D352 L353 K358 K359D352-S355 PolarHBondContact N-OG 3.34Å; D352-S355 WeakPolarHBondContact O-CA 3.07Å; D352-S355 WeakPolarHBondContact O-CB 3.34Å; D352-S355 PolarHBondContact O-N 3.34Å; D352-S355 PolarHBondContact O-OG 3.01Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.08Å; S355-K358 PolarHBondContact O-N 3.32Å; S355-K359 WeakPolarHBondContact O-CG 3.23Å; S355-K359 PolarHBondContact O-N 3.22Å
356F75.1Confident75.8Confident13 Ų1359 Ų596%0.05730%0.301CS..Hα-helixtrans-60.1-49172.5172.7-98.9000111L342 N345 N346 N351 D352 K358 K359 L360L342-F356 HydrophobicContact CD1-CE1 3.92Å; L342-F356 HydrophobicContact CD1-CZ 3.85Å; L342-F356 HydrophobicContact CG-CE1 4.03Å; L342-F356 HydrophobicContact CG-CZ 4.3Å; N345-F356 HydrophobicContact CB-CE2 4.47Å; N346-F356 HydrophobicContact CB-CD1 3.91Å; N346-F356 HydrophobicContact CB-CD2 4.12Å; N346-F356 HydrophobicContact CB-CE1 4.07Å; N346-F356 HydrophobicContact CB-CE2 4.26Å; N346-F356 HydrophobicContact CB-CG 3.94Å; N346-F356 HydrophobicContact CB-CZ 4.23Å; N346-F356 WeakPolarHBondContact ND2-CB 3.29Å; N346-F356 WeakPolarHBondContact ND2-CG 3.25Å; N351-F356 HydrophobicContact CB-CB 4.35Å; D352-F356 PolarHBondContact O-N 3.49Å; F356-K358 VanDerWaalsContact C-N 3.3Å; F356-K358 PolarHBondContact O-N 2.93Å; F356-K359 CarbonylContact O-C 3.57Å; F356-K359 PolarHBondContact O-N 3.47Å; F356-L360 HydrophobicContact CZ-CD1 4.24Å; F356-L360 PolarHBondContact O-N 2.86Å
357W74.8Confident76.7Confident99 Ų9963.8 Ų63.838%0.37532%0.319SS..Hα-helixtrans-59.5-38.1179.8-172.987.3000113.6K184 L186 L353 K359K184-W357 HydrophobicContact CB-CZ2 4.25Å; K184-W357 HydrophobicContact CD-CD2 4.41Å; K184-W357 HydrophobicContact CD-CZ2 3.87Å; K184-W357 PolarHBondContact O-NE1 3.17Å; L186-W357 HydrophobicContact CD1-CB 4.25Å; L186-W357 HydrophobicContact CD1-CG 3.96Å; L353-W357 VanDerWaalsContact O-CB 3.27Å; L353-W357 WeakPolarHBondContact O-CB 3.44Å; L353-W357 PolarHBondContact O-N 2.89Å; W357-K359 VanDerWaalsContact C-N 3.31Å
358K75.2Confident77.9Confident171 Ų17161.3 Ų61.374%0.74331%0.306SS*.Hα-helixtrans-68.2-30.3175.2-77.6-179.2-179.6-175.40113.1K354 S355 F356K354-K358 WeakPolarHBondContact O-CG 3.32Å; K354-K358 PolarHBondContact O-N 2.81Å; K354-K358 VanDerWaalsContact O-N 3.15Å; S355-K358 PolarHBondContact O-N 3.32Å; F356-K358 VanDerWaalsContact C-N 3.3Å; F356-K358 PolarHBondContact O-N 2.93Å
359K79.4Confident79.1Confident128 Ų12854.9 Ų54.956%0.55728%0.276SS*.Hα-helixtrans-84.6-27.4179.3-70.6175.9-176.1175.10112.5S355 F356 W357 T361S355-K359 WeakPolarHBondContact O-CG 3.23Å; S355-K359 PolarHBondContact O-N 3.22Å; F356-K359 CarbonylContact O-C 3.57Å; F356-K359 PolarHBondContact O-N 3.47Å; W357-K359 VanDerWaalsContact C-N 3.31Å; K359-T361 VanDerWaalsContact O-CG2 3.3Å; K359-T361 WeakPolarHBondContact O-CG2 3.46Å; K359-T361 PolarHBondContact O-N 3.46Å; K359-T361 VanDerWaalsContact O-N 3.09Å
360L80.5Confident80.3Confident11 Ų1150.3 Ų50.36%0.05826%0.257CS..  trans-55.4113.9-177.2-175.668.1000110.9W183 K184 L342 F356 D364W183-L360 HydrophobicContact CE3-CD2 4.34Å; W183-L360 HydrophobicContact CZ3-CD2 4.42Å; W183-L360 HydrophobicContact CZ3-CG 4.22Å; K184-L360 WeakPolarHBondContact CE-O 3.44Å; K184-L360 HydrophobicContact CG-CD2 4.24Å; K184-L360 PolarHBondContact NZ-O 3.42Å; L342-L360 HydrophobicContact CD1-CD1 3.78Å; L342-L360 HydrophobicContact CD1-CD2 3.83Å; L342-L360 HydrophobicContact CD1-CG 4.48Å; L342-L360 HydrophobicContact CD2-CD2 4.37Å; F356-L360 HydrophobicContact CZ-CD1 4.24Å; F356-L360 PolarHBondContact O-N 2.86Å; L360-D364 HydrophobicContact CD1-CB 3.93Å
361T86.1Confident81.7Confident49 Ų4951.2 Ų51.230%0.30124%0.244SC..  trans-97.5164.4177.476.40000111.1K359 L363 D364 A365K359-T361 VanDerWaalsContact O-CG2 3.3Å; K359-T361 WeakPolarHBondContact O-CG2 3.46Å; K359-T361 PolarHBondContact O-N 3.46Å; K359-T361 VanDerWaalsContact O-N 3.09Å; T361-L363 PolarHBondContact O-N 3.4Å; T361-L363 PolarHBondContact OG1-N 2.91Å; T361-D364 WeakPolarHBondContact CA-OD2 3.5Å; T361-D364 VanDerWaalsContact CB-OD2 3.29Å; T361-D364 WeakPolarHBondContact CB-OD2 3.27Å; T361-D364 WeakPolarHBondContact CG2-OD2 3.45Å; T361-D364 PolarHBondContact N-OD2 3.04Å; T361-D364 PolarHBondContact O-N 3.37Å; T361-D364 PolarHBondContact OG1-N 3.44Å; T361-D364 PolarHBondContact OG1-OD2 3.27Å; T361-A365 PolarHBondContact O-N 3.11Å; T361-A365 VanDerWaalsContact O-N 3.12Å
362L85.8Confident83.1Confident21 Ų2148.9 Ų48.911%0.1123%0.231CC..Hα-helixtrans-61-31171.4177.458.5000111.4W183 V209 P234 Y249 A365 L366W183-L362 HydrophobicContact CD2-CD1 4.31Å; W183-L362 HydrophobicContact CH2-CB 4.07Å; W183-L362 HydrophobicContact CZ2-CB 4.06Å; W183-L362 HydrophobicContact CZ2-CD1 4.32Å; V209-L362 HydrophobicContact CG1-CD1 3.86Å; P234-L362 HydrophobicContact CB-CD2 4.16Å; P234-L362 HydrophobicContact CG-CD2 3.64Å; Y249-L362 HydrophobicContact CE2-CD2 4.34Å; L362-A365 PolarHBondContact O-N 2.86Å; L362-L366 HydrophobicContact CD1-CD2 4.21Å; L362-L366 HydrophobicContact CD1-CG 4.36Å; L362-L366 HydrophobicContact CG-CG 4.46Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.24Å
363L87.1Confident84.3Confident25 Ų2545.5 Ų45.513%0.13121%0.212CC..Hα-helixtrans-64.7-46.4179-178.462.6000110.6F237 L245 T361 A365 L366 Y367F237-L363 HydrophobicContact CD1-CB 4.44Å; F237-L363 HydrophobicContact CD1-CD1 4.31Å; F237-L363 HydrophobicContact CE1-CB 4.47Å; F237-L363 HydrophobicContact CE1-CD1 4.35Å; L245-L363 HydrophobicContact CD2-CD1 3.43Å; L245-L363 VanDerWaalsContact CD2-CD1 3.43Å; T361-L363 PolarHBondContact O-N 3.4Å; T361-L363 PolarHBondContact OG1-N 2.91Å; L363-A365 VanDerWaalsContact C-N 3.29Å; L363-A365 PolarHBondContact O-N 3.02Å; L363-L366 WeakPolarHBondContact O-CB 3.43Å; L363-L366 PolarHBondContact O-N 3.44Å; L363-L366 VanDerWaalsContact O-N 3.07Å; L363-Y367 HydrophobicContact CD1-CD2 4.17Å; L363-Y367 HydrophobicContact CD1-CE2 3.74Å; L363-Y367 HydrophobicContact CG-CD2 4.16Å; L363-Y367 HydrophobicContact CG-CE2 3.94Å; L363-Y367 VanDerWaalsContact O-CD2 3.31Å; L363-Y367 WeakPolarHBondContact O-CD2 3.46Å; L363-Y367 PolarHBondContact O-N 3.17Å; L363-Y367 VanDerWaalsContact O-N 3.11Å
364D87.2Confident85.5Confident75 Ų7550.7 Ų50.740%0.40124%0.24SC..Hα-helixtrans-59.2-44176.7-49.7-44.9000110.4L360 T361 L366 Y367 E368L360-D364 HydrophobicContact CD1-CB 3.93Å; T361-D364 WeakPolarHBondContact CA-OD2 3.5Å; T361-D364 VanDerWaalsContact CB-OD2 3.29Å; T361-D364 WeakPolarHBondContact CB-OD2 3.27Å; T361-D364 WeakPolarHBondContact CG2-OD2 3.45Å; T361-D364 PolarHBondContact N-OD2 3.04Å; T361-D364 PolarHBondContact O-N 3.37Å; T361-D364 PolarHBondContact OG1-N 3.44Å; T361-D364 PolarHBondContact OG1-OD2 3.27Å; D364-L366 VanDerWaalsContact C-N 3.32Å; D364-L366 PolarHBondContact O-N 3.26Å; D364-Y367 PolarHBondContact O-N 3.44Å; D364-E368 PolarHBondContact O-N 2.78Å
365A89.6Confident86.5Confident0 Ų050.7 Ų50.70%025%0.245CC..Hα-helixtrans-60.9-37.717500000112.8W183 T361 L362 L363 E368 I369W183-A365 HydrophobicContact CB-CB 4.08Å; W183-A365 HydrophobicContact CD2-CB 4.06Å; W183-A365 HydrophobicContact CE3-CB 3.58Å; W183-A365 HydrophobicContact CG-CB 4.3Å; W183-A365 HydrophobicContact CZ3-CB 4.3Å; T361-A365 PolarHBondContact O-N 3.11Å; T361-A365 VanDerWaalsContact O-N 3.12Å; L362-A365 PolarHBondContact O-N 2.86Å; L363-A365 VanDerWaalsContact C-N 3.29Å; L363-A365 PolarHBondContact O-N 3.02Å; A365-E368 PolarHBondContact O-N 3.2Å; A365-I369 VanDerWaalsContact O-CB 3.32Å; A365-I369 WeakPolarHBondContact O-CB 3.07Å; A365-I369 WeakPolarHBondContact O-CD1 3.41Å; A365-I369 WeakPolarHBondContact O-CG1 3.5Å; A365-I369 PolarHBondContact O-N 3.33Å
366L91.8Very high87.4Confident0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-66.2-37.3176.4-67.9-171000112.6V227 F237 L245 V247 Y249 L362 L363 D364 I369 A370V227-L366 HydrophobicContact CB-CD2 4.2Å; V227-L366 HydrophobicContact CG1-CD2 3.72Å; V227-L366 HydrophobicContact CG2-CD2 4.27Å; F237-L366 HydrophobicContact CE1-CD1 3.98Å; F237-L366 HydrophobicContact CZ-CD1 3.63Å; L245-L366 HydrophobicContact CD1-CD1 4.22Å; L245-L366 HydrophobicContact CD2-CD1 4.49Å; V247-L366 HydrophobicContact CG2-CB 4.2Å; V247-L366 HydrophobicContact CG2-CD1 3.83Å; V247-L366 HydrophobicContact CG2-CD2 3.95Å; V247-L366 HydrophobicContact CG2-CG 4.19Å; Y249-L366 HydrophobicContact CD2-CD1 3.97Å; Y249-L366 HydrophobicContact CE2-CD1 4.47Å; L362-L366 HydrophobicContact CD1-CD2 4.21Å; L362-L366 HydrophobicContact CD1-CG 4.36Å; L362-L366 HydrophobicContact CG-CG 4.46Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.24Å; L363-L366 WeakPolarHBondContact O-CB 3.43Å; L363-L366 PolarHBondContact O-N 3.44Å; L363-L366 VanDerWaalsContact O-N 3.07Å; D364-L366 VanDerWaalsContact C-N 3.32Å; D364-L366 PolarHBondContact O-N 3.26Å; L366-I369 HydrophobicContact CD2-CD1 4.25Å; L366-A370 WeakPolarHBondContact O-CB 3.33Å; L366-A370 PolarHBondContact O-N 2.83Å; L366-A370 VanDerWaalsContact O-N 3.11Å
367Y90.5Very high88.1Confident105 Ų10551.8 Ų51.841%0.41225%0.245SC..Hα-helixtrans-64.8-46.1172.8-82.8-81.7000110.9P246 L363 D364 I369 A370 M371P246-Y367 HydrophobicContact CB-CD1 4.29Å; P246-Y367 HydrophobicContact CB-CE1 4.35Å; P246-Y367 HydrophobicContact CG-CD1 3.74Å; P246-Y367 HydrophobicContact CG-CD2 4.39Å; P246-Y367 HydrophobicContact CG-CE1 3.91Å; P246-Y367 HydrophobicContact CG-CG 3.99Å; L363-Y367 HydrophobicContact CD1-CD2 4.17Å; L363-Y367 HydrophobicContact CD1-CE2 3.74Å; L363-Y367 HydrophobicContact CG-CD2 4.16Å; L363-Y367 HydrophobicContact CG-CE2 3.94Å; L363-Y367 VanDerWaalsContact O-CD2 3.31Å; L363-Y367 WeakPolarHBondContact O-CD2 3.46Å; L363-Y367 PolarHBondContact O-N 3.17Å; L363-Y367 VanDerWaalsContact O-N 3.11Å; D364-Y367 PolarHBondContact O-N 3.44Å; Y367-I369 PolarHBondContact O-N 2.93Å; Y367-A370 PolarHBondContact O-N 2.74Å; Y367-M371 WeakPolarHBondContact O-CG 3.15Å; Y367-M371 PolarHBondContact O-N 2.97Å
368E91.1Very high88.9Confident8 Ų849.8 Ų49.84%0.03725%0.245CC..Hα-helixtrans-63.4-41.8178.4-166.356.9-132.600112.2Y338 G341 N345 D364 A365 A370 M371 A372Y338-E368 HydrophobicContact CD2-CB 3.98Å; Y338-E368 HydrophobicContact CD2-CG 3.67Å; Y338-E368 HydrophobicContact CE2-CB 3.82Å; Y338-E368 HydrophobicContact CE2-CG 3.81Å; G341-E368 WeakPolarHBondContact CA-OE1 3.4Å; N345-E368 PolarHBondContact ND2-OE2 3.32Å; D364-E368 PolarHBondContact O-N 2.78Å; A365-E368 PolarHBondContact O-N 3.2Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 3.31Å; E368-M371 PolarHBondContact O-N 3.32Å; E368-M371 WeakPolarHBondContact OE2-CE 3.47Å; E368-A372 VanDerWaalsContact O-CB 3.28Å; E368-A372 WeakPolarHBondContact O-CB 3.24Å; E368-A372 PolarHBondContact O-N 3.33Å
369I93.9Very high89.6Confident0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-58.2-44174.1-74.8161.8000110.9L181 V209 I211 L225 V227 V247 Y338 A365 L366 Y367 A372 W373L181-I369 HydrophobicContact CD2-CD1 3.75Å; L181-I369 HydrophobicContact CD2-CG1 3.69Å; V209-I369 HydrophobicContact CG2-CD1 4.22Å; I211-I369 HydrophobicContact CD1-CD1 3.84Å; I211-I369 HydrophobicContact CD1-CG1 3.99Å; I211-I369 HydrophobicContact CD1-CG2 3.86Å; L225-I369 HydrophobicContact CD1-CG2 3.36Å; V227-I369 HydrophobicContact CG2-CG2 4.44Å; V247-I369 HydrophobicContact CG1-CG2 4.49Å; Y338-I369 HydrophobicContact CD2-CG1 3.69Å; Y338-I369 HydrophobicContact CE2-CD1 4.48Å; Y338-I369 HydrophobicContact CE2-CG1 3.72Å; A365-I369 VanDerWaalsContact O-CB 3.32Å; A365-I369 WeakPolarHBondContact O-CB 3.07Å; A365-I369 WeakPolarHBondContact O-CD1 3.41Å; A365-I369 WeakPolarHBondContact O-CG1 3.5Å; A365-I369 PolarHBondContact O-N 3.33Å; L366-I369 HydrophobicContact CD2-CD1 4.25Å; Y367-I369 PolarHBondContact O-N 2.93Å; I369-A372 PolarHBondContact O-N 3.17Å; I369-W373 PolarHBondContact O-N 3.07Å
370A93.9Very high90.1Very high11 Ų1138.4 Ų38.49%0.09120%0.2CC..Hα-helixtrans-67.9-39.2178.700000112.2P246 V247 L366 Y367 E368 W373 N374P246-A370 HydrophobicContact CB-CB 3.59Å; P246-A370 HydrophobicContact CG-CB 4Å; V247-A370 HydrophobicContact CG1-CB 4.08Å; L366-A370 WeakPolarHBondContact O-CB 3.33Å; L366-A370 PolarHBondContact O-N 2.83Å; L366-A370 VanDerWaalsContact O-N 3.11Å; Y367-A370 PolarHBondContact O-N 2.74Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 3.31Å; A370-W373 PolarHBondContact O-N 2.93Å; A370-N374 VanDerWaalsContact O-CG 3.28Å; A370-N374 PolarHBondContact O-N 3.36Å; A370-N374 PolarHBondContact O-ND2 2.79Å
371M91.6Very high90.6Very high86 Ų8638 Ų3842%0.42420%0.198SC..Hα-helixtrans-63.9-47174.1-69.2-167.2-57.600111.2Y367 E368 W373 N374 L375Y367-M371 WeakPolarHBondContact O-CG 3.15Å; Y367-M371 PolarHBondContact O-N 2.97Å; E368-M371 PolarHBondContact O-N 3.32Å; E368-M371 WeakPolarHBondContact OE2-CE 3.47Å; M371-W373 VanDerWaalsContact C-N 3.27Å; M371-W373 PolarHBondContact O-N 3.44Å; M371-N374 WeakPolarHBondContact O-CA 3.38Å; M371-N374 WeakPolarHBondContact O-CB 3.17Å; M371-N374 PolarHBondContact O-N 3.21Å; M371-L375 WeakPolarHBondContact O-CG 3.48Å; M371-L375 PolarHBondContact O-N 3.17Å
372A93.1Very high90.9Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-56-40.8176.600000112.6M334 N337 E368 I369 L375 V376M334-A372 HydrophobicContact CG-CB 4.43Å; N337-A372 HydrophobicContact CB-CB 3.89Å; N337-A372 PolarHBondContact ND2-O 3.32Å; E368-A372 VanDerWaalsContact O-CB 3.28Å; E368-A372 WeakPolarHBondContact O-CB 3.24Å; E368-A372 PolarHBondContact O-N 3.33Å; I369-A372 PolarHBondContact O-N 3.17Å; A372-L375 PolarHBondContact O-N 3.03Å; A372-V376 PolarHBondContact O-N 3.27Å
373W95.3Very high91Very high8 Ų840 Ų403%0.0320%0.201CC..Hα-helixtrans-67.4-40.1173.9-178.9-126.6000113.1C213 A215 K222 L223 L225 V330 M334 I369 A370 M371 L375 V376 I381C213-W373 HydrophobicContact CB-CH2 3.95Å; C213-W373 HydrophobicContact CB-CZ2 4.43Å; C213-W373 HydrophobicContact CB-CZ3 4.01Å; A215-W373 HydrophobicContact CB-CH2 4.13Å; A215-W373 HydrophobicContact CB-CZ2 4.14Å; K222-W373 HydrophobicContact CB-CZ2 3.8Å; K222-W373 HydrophobicContact CD-CD2 4.34Å; K222-W373 HydrophobicContact CD-CH2 4.28Å; K222-W373 HydrophobicContact CD-CZ2 3.87Å; K222-W373 HydrophobicContact CG-CH2 4.41Å; K222-W373 HydrophobicContact CG-CZ2 3.78Å; K222-W373 PolarHBondContact NZ-O 3.19Å; L223-W373 PolarHBondContact O-NE1 2.9Å; L225-W373 HydrophobicContact CD1-CB 3.59Å; L225-W373 HydrophobicContact CD1-CG 3.88Å; L225-W373 HydrophobicContact CD2-CB 4.43Å; L225-W373 HydrophobicContact CD2-CD2 3.88Å; L225-W373 HydrophobicContact CD2-CE3 4.47Å; L225-W373 HydrophobicContact CD2-CG 3.84Å; L225-W373 HydrophobicContact CG-CB 3.98Å; L225-W373 HydrophobicContact CG-CD2 4.28Å; L225-W373 HydrophobicContact CG-CG 3.69Å; V330-W373 HydrophobicContact CG1-CH2 4.1Å; V330-W373 HydrophobicContact CG1-CZ3 3.75Å; M334-W373 HydrophobicContact CB-CE3 4.4Å; M334-W373 HydrophobicContact CG-CB 4.4Å; M334-W373 HydrophobicContact CG-CE3 4.18Å; I369-W373 PolarHBondContact O-N 3.07Å; A370-W373 PolarHBondContact O-N 2.93Å; M371-W373 VanDerWaalsContact C-N 3.27Å; M371-W373 PolarHBondContact O-N 3.44Å; W373-L375 VanDerWaalsContact C-N 3.27Å; W373-L375 PolarHBondContact O-N 2.95Å; W373-V376 HydrophobicContact CE3-CB 4.31Å; W373-V376 HydrophobicContact CE3-CG2 3.9Å; W373-V376 HydrophobicContact CZ3-CB 4.4Å; W373-V376 HydrophobicContact CZ3-CG1 4.48Å; W373-V376 HydrophobicContact CZ3-CG2 4.21Å; W373-V376 WeakPolarHBondContact O-CB 3.46Å; W373-V376 PolarHBondContact O-N 3.11Å; W373-I381 HydrophobicContact CH2-CD1 4.39Å
374N92.1Very high91.2Very high114 Ų11439 Ų3961%0.6120%0.196SC*.Hα-helixtrans-64.3-33175.8-73.6-26.3000112.4K222 A370 M371 V376K222-N374 VanDerWaalsContact NZ-C 3.32Å; K222-N374 PolarHBondContact NZ-O 2.91Å; A370-N374 VanDerWaalsContact O-CG 3.28Å; A370-N374 PolarHBondContact O-N 3.36Å; A370-N374 PolarHBondContact O-ND2 2.79Å; M371-N374 WeakPolarHBondContact O-CA 3.38Å; M371-N374 WeakPolarHBondContact O-CB 3.17Å; M371-N374 PolarHBondContact O-N 3.21Å; N374-V376 VanDerWaalsContact C-N 3.31Å; N374-V376 PolarHBondContact O-N 3.33Å
375L91.3Very high91.4Very high103 Ų10335.5 Ų35.554%0.53918%0.177SC..Hα-helixtrans-71.3-19.4176.1-70.5172.6000114.1N337 M371 A372 W373 K377N337-L375 HydrophobicContact CB-CD1 4.48Å; M371-L375 WeakPolarHBondContact O-CG 3.48Å; M371-L375 PolarHBondContact O-N 3.17Å; A372-L375 PolarHBondContact O-N 3.03Å; W373-L375 VanDerWaalsContact C-N 3.27Å; W373-L375 PolarHBondContact O-N 2.95Å; L375-K377 PolarHBondContact O-N 3.27Å; L375-K377 VanDerWaalsContact O-N 3.08Å
376V90.8Very high91.3Very high1 Ų140.2 Ų40.21%0.00620%0.198CC..SBendtrans-62.2115.7174.1-179.20000109.3K222 V330 M334 A372 W373 N374 I381K222-V376 PolarHBondContact NZ-O 2.9Å; V330-V376 HydrophobicContact CG1-CG1 4.31Å; M334-V376 HydrophobicContact CB-CG2 3.82Å; M334-V376 HydrophobicContact CG-CG2 4.46Å; A372-V376 PolarHBondContact O-N 3.27Å; W373-V376 HydrophobicContact CE3-CB 4.31Å; W373-V376 HydrophobicContact CE3-CG2 3.9Å; W373-V376 HydrophobicContact CZ3-CB 4.4Å; W373-V376 HydrophobicContact CZ3-CG1 4.48Å; W373-V376 HydrophobicContact CZ3-CG2 4.21Å; W373-V376 WeakPolarHBondContact O-CB 3.46Å; W373-V376 PolarHBondContact O-N 3.11Å; N374-V376 VanDerWaalsContact C-N 3.31Å; N374-V376 PolarHBondContact O-N 3.33Å; V376-I381 HydrophobicContact CG1-CD1 4.18Å; V376-I381 HydrophobicContact CG1-CG1 4.01Å
377K90.1Very high91.1Very high73 Ų7345.5 Ų45.532%0.31722%0.221SC..  trans-70.2145.3-175.7-62.3178.5-179.5173.10110.5L375 V379 T380 I381 D401L375-K377 PolarHBondContact O-N 3.27Å; L375-K377 VanDerWaalsContact O-N 3.08Å; K377-V379 HydrophobicContact CB-CG1 3.89Å; K377-V379 HydrophobicContact CD-CG1 4.43Å; K377-V379 PolarHBondContact O-N 3.38Å; K377-T380 WeakPolarHBondContact O-CB 3.5Å; K377-T380 PolarHBondContact O-N 3.34Å; K377-T380 VanDerWaalsContact O-N 3.09Å; K377-I381 PolarHBondContact O-N 3.43Å; K377-D401 PolarHBondContact NZ-O 3.14Å; K377-D401 VanDerWaalsContact NZ-O 3.14Å
378P91.1Very high90.9Very high57 Ų5740.5 Ų40.537%0.3720%0.201SC..Hα-helixtrans-55.2-35.1174.2-27.936000113.3T380 I381 S382P378-T380 VanDerWaalsContact C-N 3.33Å; P378-T380 PolarHBondContact O-N 2.82Å; P378-I381 PolarHBondContact O-N 3.5Å; P378-I381 VanDerWaalsContact O-N 3.14Å; P378-S382 PolarHBondContact O-N 3.31Å; P378-S382 PolarHBondContact O-OG 3.1Å
379V88.9Confident90.7Very high45 Ų4540.9 Ų40.927%0.27320%0.204SC..Hα-helixtrans-62.7-36.6177.4700000112.8K377 I381 S382 R383K377-V379 HydrophobicContact CB-CG1 3.89Å; K377-V379 HydrophobicContact CD-CG1 4.43Å; K377-V379 PolarHBondContact O-N 3.38Å; V379-I381 VanDerWaalsContact C-N 3.28Å; V379-I381 PolarHBondContact O-N 3.49Å; V379-S382 WeakPolarHBondContact CA-OG 3.28Å; V379-S382 PolarHBondContact O-N 2.86Å; V379-S382 PolarHBondContact O-OG 3.21Å; V379-S382 VanDerWaalsContact O-OG 3.13Å; V379-R383 HydrophobicContact CG2-CG 4.29Å; V379-R383 VanDerWaalsContact O-CB 3.26Å; V379-R383 WeakPolarHBondContact O-CB 3.41Å; V379-R383 WeakPolarHBondContact O-CG 3.01Å; V379-R383 PolarHBondContact O-N 3.1Å
380T89.9Confident90Very high15 Ų1544.5 Ų44.59%0.09223%0.227CC..Hα-helixtrans-63.1-40.6175.3-490000110.1K377 P378 A384K377-T380 WeakPolarHBondContact O-CB 3.5Å; K377-T380 PolarHBondContact O-N 3.34Å; K377-T380 VanDerWaalsContact O-N 3.09Å; P378-T380 VanDerWaalsContact C-N 3.33Å; P378-T380 PolarHBondContact O-N 2.82Å; T380-A384 PolarHBondContact O-N 3.24Å
381I92.1Very high88.7Confident3 Ų351.8 Ų51.82%0.01526%0.261CS..Hα-helixtrans-69.7-48.6177.8-61.7167.2000110.4A215 N216 K222 V330 W373 V376 K377 P378 V379 R383 A384 W385A215-I381 HydrophobicContact CB-CD1 3.87Å; A215-I381 HydrophobicContact CB-CG2 4.1Å; N216-I381 WeakPolarHBondContact O-CG2 3.31Å; K222-I381 HydrophobicContact CD-CD1 3.77Å; K222-I381 HydrophobicContact CG-CD1 3.86Å; V330-I381 HydrophobicContact CG1-CG1 4.14Å; V330-I381 HydrophobicContact CG2-CB 4.5Å; V330-I381 HydrophobicContact CG2-CG1 4.09Å; W373-I381 HydrophobicContact CH2-CD1 4.39Å; V376-I381 HydrophobicContact CG1-CD1 4.18Å; V376-I381 HydrophobicContact CG1-CG1 4.01Å; K377-I381 PolarHBondContact O-N 3.43Å; P378-I381 PolarHBondContact O-N 3.5Å; P378-I381 VanDerWaalsContact O-N 3.14Å; V379-I381 VanDerWaalsContact C-N 3.28Å; V379-I381 PolarHBondContact O-N 3.49Å; I381-R383 VanDerWaalsContact C-N 3.34Å; I381-R383 PolarHBondContact O-N 2.91Å; I381-A384 WeakPolarHBondContact O-CB 3.33Å; I381-A384 PolarHBondContact O-N 3.27Å; I381-A384 VanDerWaalsContact O-N 3.08Å; I381-W385 PolarHBondContact O-N 2.99Å
382S91.1Very high87.7Confident17 Ų1748.8 Ų48.812%0.11925%0.247CC..Hα-helixtrans-63.2-39.2-179.964.70000112.5A217 P378 V379 A384 W385A217-S382 WeakPolarHBondContact O-CA 3.37Å; P378-S382 PolarHBondContact O-N 3.31Å; P378-S382 PolarHBondContact O-OG 3.1Å; V379-S382 WeakPolarHBondContact CA-OG 3.28Å; V379-S382 PolarHBondContact O-N 2.86Å; V379-S382 PolarHBondContact O-OG 3.21Å; V379-S382 VanDerWaalsContact O-OG 3.13Å; S382-A384 PolarHBondContact O-N 3.46Å; S382-W385 PolarHBondContact O-N 3.02Å; S382-W385 VanDerWaalsContact O-N 3.12Å
383R89.4Confident85.9Confident94 Ų9457 Ų5736%0.35529%0.285SS..Hα-helixtrans-58.1-37.5172.8-76.3174.1179166.90.2111.8V379 I381 W385 K386 D402V379-R383 HydrophobicContact CG2-CG 4.29Å; V379-R383 VanDerWaalsContact O-CB 3.26Å; V379-R383 WeakPolarHBondContact O-CB 3.41Å; V379-R383 WeakPolarHBondContact O-CG 3.01Å; V379-R383 PolarHBondContact O-N 3.1Å; I381-R383 VanDerWaalsContact C-N 3.34Å; I381-R383 PolarHBondContact O-N 2.91Å; R383-W385 PolarHBondContact O-N 3.45Å; R383-K386 WeakPolarHBondContact O-CB 3.23Å; R383-K386 WeakPolarHBondContact O-CG 3.13Å; R383-K386 PolarHBondContact O-N 3.35Å; R383-K386 VanDerWaalsContact O-N 3.14Å; R383-D402 IonicContact CZ-OD1 3.29Å; R383-D402 IonicContact NH1-OD1 2.7Å; R383-D402 PolarHBondContact NH1-OD1 3.04Å; R383-D402 IonicContact NH1-OD2 2.95Å; R383-D402 IonicContact NH2-OD1 3.9Å; R383-D402 IonicContact NH2-OD2 3.52Å; R383-D402 PolarHBondContact NH2-OD2 3.45Å
384A90.4Very high84Confident3 Ų360.9 Ų60.93%0.02530%0.303CS..Hα-helixtrans-62.8-25.9178.800000113.7P325 Q328 V330 T380 I381 S382P325-A384 HydrophobicContact CB-CB 4.39Å; P325-A384 VanDerWaalsContact O-CB 3.32Å; P325-A384 WeakPolarHBondContact O-CB 3.46Å; Q328-A384 HydrophobicContact CB-CB 3.9Å; V330-A384 HydrophobicContact CG2-CB 3.67Å; T380-A384 PolarHBondContact O-N 3.24Å; I381-A384 WeakPolarHBondContact O-CB 3.33Å; I381-A384 PolarHBondContact O-N 3.27Å; I381-A384 VanDerWaalsContact O-N 3.08Å; S382-A384 PolarHBondContact O-N 3.46Å
385W92.3Very high82Confident3 Ų364.7 Ų64.71%0.01131%0.314CS..THydrogen-bonded Turntrans-83.7-10.8177.6-75.391.5000114.3I173 N175 A217 L290 P325 I381 S382 R383 K387 I388 L389 I392I173-W385 HydrophobicContact CG2-CH2 3.52Å; I173-W385 HydrophobicContact CG2-CZ2 4.28Å; I173-W385 HydrophobicContact CG2-CZ3 3.66Å; N175-W385 HydrophobicContact CB-CH2 3.71Å; N175-W385 HydrophobicContact CB-CZ2 3.3Å; A217-W385 HydrophobicContact CB-CD2 3.84Å; A217-W385 HydrophobicContact CB-CE3 4.35Å; A217-W385 HydrophobicContact CB-CG 4Å; A217-W385 HydrophobicContact CB-CZ2 4.24Å; L290-W385 HydrophobicContact CB-CH2 4.25Å; L290-W385 HydrophobicContact CD2-CH2 4.06Å; L290-W385 HydrophobicContact CD2-CZ3 3.82Å; P325-W385 HydrophobicContact CB-CD2 3.94Å; P325-W385 HydrophobicContact CB-CE3 4.49Å; P325-W385 HydrophobicContact CB-CG 4.21Å; P325-W385 HydrophobicContact CB-CZ2 4.28Å; P325-W385 HydrophobicContact CG-CD2 3.68Å; P325-W385 HydrophobicContact CG-CE3 3.73Å; P325-W385 HydrophobicContact CG-CG 4.35Å; P325-W385 HydrophobicContact CG-CH2 4.03Å; P325-W385 HydrophobicContact CG-CZ2 4Å; P325-W385 HydrophobicContact CG-CZ3 3.89Å; I381-W385 PolarHBondContact O-N 2.99Å; S382-W385 PolarHBondContact O-N 3.02Å; S382-W385 VanDerWaalsContact O-N 3.12Å; R383-W385 PolarHBondContact O-N 3.45Å; W385-K387 PolarHBondContact O-N 3.35Å; W385-I388 HydrophobicContact CE3-CB 4.43Å; W385-I388 HydrophobicContact CZ3-CD1 4.49Å; W385-I388 PolarHBondContact O-N 2.81Å; W385-L389 HydrophobicContact CE3-CD1 3.91Å; W385-L389 HydrophobicContact CE3-CG 4.36Å; W385-L389 HydrophobicContact CZ3-CD1 4.33Å; W385-L389 PolarHBondContact O-N 3.16Å; W385-I392 HydrophobicContact CB-CD1 3.61Å; W385-I392 HydrophobicContact CG-CD1 4.23Å
386K87.6Confident79.5Confident99 Ų9967.7 Ų67.743%0.4333%0.326SS..THydrogen-bonded Turntrans-53.2-33.8-173.9-76.6-178.5175.8-173.10114.2R383 I388 E394R383-K386 WeakPolarHBondContact O-CB 3.23Å; R383-K386 WeakPolarHBondContact O-CG 3.13Å; R383-K386 PolarHBondContact O-N 3.35Å; R383-K386 VanDerWaalsContact O-N 3.14Å; K386-I388 VanDerWaalsContact C-N 3.31Å; K386-I388 PolarHBondContact O-N 3.24Å; K386-E394 WeakPolarHBondContact CE-OE1 3.24Å; K386-E394 IonicContact NZ-OE1 3.03Å; K386-E394 PolarHBondContact NZ-OE1 2.92Å
387K86Confident77.1Confident110 Ų11072.4 Ų72.448%0.47836%0.359SS..THydrogen-bonded Turntrans-65.5-32177.9-71.3-177.4170.8177.60113.3C156 L322 Q328 W385C156-K387 PolarHBondContact SG-O 3.5Å; C156-K387 VanDerWaalsContact SG-O 3.4Å; L322-K387 VanDerWaalsContact O-CD 3.31Å; L322-K387 WeakPolarHBondContact O-CD 3.1Å; L322-K387 PolarHBondContact O-NZ 3.06Å; Q328-K387 HydrophobicContact CG-CD 4.4Å; W385-K387 PolarHBondContact O-N 3.35Å
388I87.6Confident74.7Confident0 Ų076.1 Ų76.10%038%0.381CS..THydrogen-bonded Turntrans-98-44.5-179.4-57.2-177000110.7F159 L290 L315 I323 P325 W385 K386F159-I388 HydrophobicContact CD1-CG2 3.52Å; F159-I388 HydrophobicContact CE1-CG2 3.9Å; L290-I388 HydrophobicContact CD2-CD1 3.74Å; L315-I388 HydrophobicContact CD2-CD1 4.12Å; I323-I388 HydrophobicContact CB-CD1 4.37Å; I323-I388 HydrophobicContact CB-CG1 4.19Å; I323-I388 HydrophobicContact CG1-CD1 4.45Å; I323-I388 WeakPolarHBondContact O-CD1 3.48Å; P325-I388 HydrophobicContact CG-CD1 3.96Å; W385-I388 HydrophobicContact CE3-CB 4.43Å; W385-I388 HydrophobicContact CZ3-CD1 4.49Å; W385-I388 PolarHBondContact O-N 2.81Å; K386-I388 VanDerWaalsContact C-N 3.31Å; K386-I388 PolarHBondContact O-N 3.24Å
389L86.2Confident72.5Confident17 Ų1780.1 Ų80.19%0.08940%0.4CS..  trans-127.879.2-173.6-59.5176.7000110.3F159 R160 I163 I173 A217 W385 M391 I392F159-L389 HydrophobicContact CD1-CD2 4.34Å; F159-L389 HydrophobicContact CE1-CD2 4.44Å; R160-L389 HydrophobicContact CG-CD2 4.32Å; I163-L389 HydrophobicContact CD1-CD1 4.29Å; I163-L389 HydrophobicContact CD1-CD2 3.45Å; I163-L389 VanDerWaalsContact CD1-CD2 3.45Å; I163-L389 HydrophobicContact CD1-CG 4.48Å; I173-L389 HydrophobicContact CD1-CD1 3.72Å; I173-L389 HydrophobicContact CG2-CD1 4.36Å; A217-L389 HydrophobicContact CB-CD1 4.36Å; W385-L389 HydrophobicContact CE3-CD1 3.91Å; W385-L389 HydrophobicContact CE3-CG 4.36Å; W385-L389 HydrophobicContact CZ3-CD1 4.33Å; W385-L389 PolarHBondContact O-N 3.16Å; L389-M391 PolarHBondContact O-N 2.76Å; L389-I392 HydrophobicContact CB-CD1 3.72Å; L389-I392 HydrophobicContact CB-CG1 3.94Å; L389-I392 HydrophobicContact CD1-CD1 4.05Å; L389-I392 PolarHBondContact O-N 3.13Å
390P78.8Confident70Confident75 Ų7587.2 Ų87.249%0.48743%0.427SS..THydrogen-bonded Turntrans-66.6-15.6179.826-34.2000113.6I392P390-I392 VanDerWaalsContact C-N 3.34Å
391M67.3Low67.6Low164 Ų16493.2 Ų93.281%0.80846%0.459SS*.THydrogen-bonded Turntrans-85.62.4-176.5-58.1-60.717900114.3L389 E393L389-M391 PolarHBondContact O-N 2.76Å; M391-E393 VanDerWaalsContact C-N 3.32Å; M391-E393 PolarHBondContact O-N 3.21Å
392I70.3Confident65.3Low24 Ų2498.5 Ų98.512%0.12349%0.487CS..  trans-70.196.9173.4-62.5171.7000106.7A217 W385 L389 P390 E394A217-I392 HydrophobicContact CB-CD1 3.76Å; W385-I392 HydrophobicContact CB-CD1 3.61Å; W385-I392 HydrophobicContact CG-CD1 4.23Å; L389-I392 HydrophobicContact CB-CD1 3.72Å; L389-I392 HydrophobicContact CB-CG1 3.94Å; L389-I392 HydrophobicContact CD1-CD1 4.05Å; L389-I392 PolarHBondContact O-N 3.13Å; P390-I392 VanDerWaalsContact C-N 3.34Å; I392-E394 PolarHBondContact O-N 2.76Å
393E55.9Low63.2Low171 Ų171104.4 Ų104.480%0.79951%0.513SS*.  trans-52.6123.3177.5-73.8-177.916700109.4M391 K395M391-E393 VanDerWaalsContact C-N 3.32Å; M391-E393 PolarHBondContact O-N 3.21Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.4Å
394E55.8Low61.6Low91 Ų91103.3 Ų103.343%0.42551%0.514SS..  trans-63.5101.5161.8-68.7-176.4173.900105.6K386 I392 E396K386-E394 WeakPolarHBondContact CE-OE1 3.24Å; K386-E394 IonicContact NZ-OE1 3.03Å; K386-E394 PolarHBondContact NZ-OE1 2.92Å; I392-E394 PolarHBondContact O-N 2.76Å; E394-E396 PolarHBondContact O-N 2.71Å
395K49.3Very low60.2Low193 Ų193105.8 Ų105.884%0.83953%0.526SS*.  trans-61.598.1156.4-84.4-176.4175.7174.40105E393 S397E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.4Å; K395-S397 PolarHBondContact O-N 3.43Å
396E39.4Very low58.9Low167 Ų167107.5 Ų107.578%0.7854%0.539SS*.  trans-52.493.1167.1-78.4-177.3159.200107.1E394 L398E394-E396 PolarHBondContact O-N 2.71Å; E396-L398 VanDerWaalsContact C-N 3.28Å; E396-L398 PolarHBondContact O-N 3.33Å; E396-L398 VanDerWaalsContact O-N 3.11Å
397S39.2Very low57.8Low100 Ų100105.2 Ų105.270%0.69953%0.533SS*.  trans-71.898.9157.153.80000105.2K395 D399K395-S397 PolarHBondContact O-N 3.43Å; S397-D399 PolarHBondContact O-N 2.63Å
398L40.4Very low56.8Low151 Ų151103 Ų10379%0.79154%0.535SS*.SBendtrans-45.7125163.6-72.1152.4000108.6E396E396-L398 VanDerWaalsContact C-N 3.28Å; E396-L398 PolarHBondContact O-N 3.33Å; E396-L398 VanDerWaalsContact O-N 3.11Å
399D44.9Very low56Low141 Ų141105.7 Ų105.775%0.75455%0.551SS**  trans5997.1172.2-60.2-23.2000117.8S397S397-D399 PolarHBondContact O-N 2.63Å
400F37.2Very low55.3Low193 Ų193105 Ų10585%0.84655%0.548SS*.  trans-158.6124.8134.5-85.4-70.9000108.8D402F400-D402 PolarHBondContact O-N 3.07Å
401D38.9Very low54.8Low142 Ų142102.3 Ų102.376%0.75953%0.532SS*.  trans-36.8126.7-176.2-65.2-52.1000113.9K377 E403K377-D401 PolarHBondContact NZ-O 3.14Å; K377-D401 VanDerWaalsContact NZ-O 3.14Å; D401-E403 PolarHBondContact O-N 3.19Å
402D42.6Very low55.1Low114 Ų11498 Ų9861%0.6152%0.515SS*.  trans-74.637.7179.5-136.3-2.1000110.9R383 F400 D404R383-D402 IonicContact CZ-OD1 3.29Å; R383-D402 IonicContact NH1-OD1 2.7Å; R383-D402 PolarHBondContact NH1-OD1 3.04Å; R383-D402 IonicContact NH1-OD2 2.95Å; R383-D402 IonicContact NH2-OD1 3.9Å; R383-D402 IonicContact NH2-OD2 3.52Å; R383-D402 PolarHBondContact NH2-OD2 3.45Å; F400-D402 PolarHBondContact O-N 3.07Å; D402-D404 PolarHBondContact O-N 3.2Å
403E48.5Very low55.2Low140 Ų14098.3 Ų98.365%0.65452%0.517SS*.  trans-92.789.5171.1-71.3-168.9172.700108.5D401D401-E403 PolarHBondContact O-N 3.19Å
404D54.9Low56Low71 Ų7190.3 Ų90.338%0.3848%0.479SS..  trans-47.6145.1143.2-80.9-31.3000107.7D402 S406D402-D404 PolarHBondContact O-N 3.2Å; D404-S406 PolarHBondContact O-N 2.69Å
405I62.1Low56.6Low56 Ų5692 Ų9229%0.28749%0.487SS..  trans-51.4105.3179.8-65178.9000108.7N337 A340 V410N337-I405 HydrophobicContact CB-CD1 4.42Å; N337-I405 VanDerWaalsContact OD1-CD1 3.23Å; N337-I405 WeakPolarHBondContact OD1-CD1 3.5Å; A340-I405 HydrophobicContact CB-CD1 3.64Å; A340-I405 HydrophobicContact CB-CG2 3.85Å; I405-V410 HydrophobicContact CG2-CG2 3.48Å; I405-V410 VanDerWaalsContact CG2-CG2 3.48Å
406S64.8Low57.6Low39 Ų3989 Ų8927%0.27348%0.476SS..  trans-73.5149.6-172.879.40000108.7D404 A408 T409 V410D404-S406 PolarHBondContact O-N 2.69Å; S406-A408 PolarHBondContact O-N 2.86Å; S406-A408 VanDerWaalsContact O-N 3.08Å; S406-A408 WeakPolarHBondContact OG-CB 3.48Å; S406-A408 PolarHBondContact OG-N 2.98Å; S406-T409 WeakPolarHBondContact O-CB 3.18Å; S406-T409 PolarHBondContact O-N 3.26Å; S406-T409 PolarHBondContact OG-N 2.78Å; S406-T409 PolarHBondContact OG-OG1 3.48Å; S406-V410 PolarHBondContact O-N 3.25Å; S406-V410 VanDerWaalsContact O-N 3.15Å
407V64.1Low58.9Low51 Ų5181.2 Ų81.231%0.30944%0.44SS..Hα-helixtrans-49.3-33.8167.7169.60000110.2A411 L428 E429 L432V407-A411 WeakPolarHBondContact O-CB 3.08Å; V407-A411 PolarHBondContact O-N 3.25Å; V407-L428 HydrophobicContact CB-CD2 4.09Å; V407-L428 HydrophobicContact CG1-CD2 3.49Å; V407-L428 VanDerWaalsContact CG1-CD2 3.49Å; V407-L428 HydrophobicContact CG2-CD2 4.32Å; V407-E429 HydrophobicContact CG1-CG 4.42Å; V407-E429 HydrophobicContact CG2-CG 4.44Å; V407-L432 HydrophobicContact CG2-CD1 4.33Å
408A64.3Low60.2Low62 Ų6284.1 Ų84.151%0.51244%0.44SS..Hα-helixtrans-66.4-44.9177.300000112.2S406 V410 A411 T412S406-A408 PolarHBondContact O-N 2.86Å; S406-A408 VanDerWaalsContact O-N 3.08Å; S406-A408 WeakPolarHBondContact OG-CB 3.48Å; S406-A408 PolarHBondContact OG-N 2.98Å; A408-V410 PolarHBondContact O-N 2.86Å; A408-A411 WeakPolarHBondContact O-CB 3.28Å; A408-A411 PolarHBondContact O-N 3Å; A408-T412 PolarHBondContact O-N 3.25Å; A408-T412 PolarHBondContact O-OG1 3.47Å
409T70.8Confident61.4Low57 Ų5779.1 Ų79.135%0.3543%0.425SS..Hα-helixtrans-60.7-45.5177.4-47.70000111S406 T412 I413S406-T409 WeakPolarHBondContact O-CB 3.18Å; S406-T409 PolarHBondContact O-N 3.26Å; S406-T409 PolarHBondContact OG-N 2.78Å; S406-T409 PolarHBondContact OG-OG1 3.48Å; T409-T412 PolarHBondContact O-N 3.32Å; T409-I413 WeakPolarHBondContact O-CG1 3.49Å; T409-I413 PolarHBondContact O-N 2.87Å
410V72.1Confident62.4Low2 Ų272.5 Ų72.51%0.01239%0.39CS..Hα-helixtrans-66.6-38.8176.2-170.10000111A340 L343 I405 S406 A408 T412 I413 L414 L428 W431A340-V410 HydrophobicContact CB-CG2 4.18Å; L343-V410 HydrophobicContact CD1-CG1 3.74Å; I405-V410 HydrophobicContact CG2-CG2 3.48Å; I405-V410 VanDerWaalsContact CG2-CG2 3.48Å; S406-V410 PolarHBondContact O-N 3.25Å; S406-V410 VanDerWaalsContact O-N 3.15Å; A408-V410 PolarHBondContact O-N 2.86Å; V410-T412 VanDerWaalsContact C-N 3.35Å; V410-T412 PolarHBondContact O-N 3.47Å; V410-I413 WeakPolarHBondContact O-CB 3.35Å; V410-I413 PolarHBondContact O-N 2.96Å; V410-L414 HydrophobicContact CG1-CD1 4.23Å; V410-L414 WeakPolarHBondContact O-CB 3.48Å; V410-L414 VanDerWaalsContact O-CG 3.25Å; V410-L414 WeakPolarHBondContact O-CG 3.35Å; V410-L414 PolarHBondContact O-N 3.41Å; V410-L428 HydrophobicContact CB-CD1 4.3Å; V410-L428 HydrophobicContact CB-CD2 4.3Å; V410-L428 HydrophobicContact CG1-CD1 3.9Å; V410-W431 HydrophobicContact CG1-CZ3 4.19Å
411A68.7Low63.5Low20 Ų2068.7 Ų68.717%0.16538%0.375CS..Hα-helixtrans-63-40175.800000112.1V407 A408 L414 Q415V407-A411 WeakPolarHBondContact O-CB 3.08Å; V407-A411 PolarHBondContact O-N 3.25Å; A408-A411 WeakPolarHBondContact O-CB 3.28Å; A408-A411 PolarHBondContact O-N 3Å; A411-L414 PolarHBondContact O-N 3.4Å; A411-Q415 WeakPolarHBondContact O-CG 3.39Å; A411-Q415 PolarHBondContact O-N 3.17Å
412T73.8Confident64.7Low73 Ų7366.4 Ų66.445%0.44836%0.362SS..Hα-helixtrans-62.5-46.4174.1-57.20000111.1A408 T409 V410 L414 Q415 H416A408-T412 PolarHBondContact O-N 3.25Å; A408-T412 PolarHBondContact O-OG1 3.47Å; T409-T412 PolarHBondContact O-N 3.32Å; V410-T412 VanDerWaalsContact C-N 3.35Å; V410-T412 PolarHBondContact O-N 3.47Å; T412-L414 VanDerWaalsContact C-N 3.26Å; T412-L414 PolarHBondContact O-N 3.25Å; T412-Q415 PolarHBondContact O-N 3.43Å; T412-H416 PolarHBondContact O-N 3.27Å; T412-H416 PolarHBondContact O-ND1 3.04Å
413I71.7Confident65.8Low30 Ų3062.3 Ų62.315%0.15434%0.341CS..Hα-helixtrans-54.7-46175.7-71.9169.5000110.2L343 L347 T409 V410 H416 T417L343-I413 HydrophobicContact CB-CG2 3.64Å; L343-I413 HydrophobicContact CD1-CG2 4.39Å; L347-I413 HydrophobicContact CD1-CB 4.26Å; L347-I413 HydrophobicContact CD1-CG1 4.48Å; L347-I413 HydrophobicContact CD1-CG2 3.61Å; L347-I413 HydrophobicContact CG-CG2 4.34Å; T409-I413 WeakPolarHBondContact O-CG1 3.49Å; T409-I413 PolarHBondContact O-N 2.87Å; V410-I413 WeakPolarHBondContact O-CB 3.35Å; V410-I413 PolarHBondContact O-N 2.96Å; I413-H416 PolarHBondContact O-N 3.08Å; I413-T417 PolarHBondContact O-N 2.87Å; I413-T417 PolarHBondContact O-OG1 3Å
414L71.6Confident66.7Low4 Ų458.5 Ų58.52%0.02133%0.328CS..Hα-helixtrans-68.8-34.5-177.9-72.8173.2000115P187 L343 V410 A411 T412 H416 T417 L420 V423 L428P187-L414 HydrophobicContact CG-CD2 4.3Å; L343-L414 HydrophobicContact CD1-CD1 4.4Å; L343-L414 HydrophobicContact CD1-CD2 3.59Å; L343-L414 HydrophobicContact CD1-CG 3.89Å; L343-L414 HydrophobicContact CD2-CD2 3.74Å; L343-L414 HydrophobicContact CG-CD2 4.31Å; V410-L414 HydrophobicContact CG1-CD1 4.23Å; V410-L414 WeakPolarHBondContact O-CB 3.48Å; V410-L414 VanDerWaalsContact O-CG 3.25Å; V410-L414 WeakPolarHBondContact O-CG 3.35Å; V410-L414 PolarHBondContact O-N 3.41Å; A411-L414 PolarHBondContact O-N 3.4Å; T412-L414 VanDerWaalsContact C-N 3.26Å; T412-L414 PolarHBondContact O-N 3.25Å; L414-H416 PolarHBondContact O-N 2.97Å; L414-T417 PolarHBondContact O-N 3.28Å; L414-T417 VanDerWaalsContact O-N 3.12Å; L414-L420 HydrophobicContact CD2-CB 3.99Å; L414-L420 HydrophobicContact CD2-CD1 3.25Å; L414-L420 HydrophobicContact CD2-CG 4.22Å; L414-V423 HydrophobicContact CD1-CG1 4.27Å; L414-L428 HydrophobicContact CD1-CD1 3.01Å; L414-L428 HydrophobicContact CD1-CG 4.41Å; L414-L428 HydrophobicContact CG-CD1 4.36Å
415Q69.6Low67.4Low127 Ų12759.3 Ų59.359%0.59334%0.335SS*.Hα-helixtrans-61-29.8174-75.8175.14.600111.9A411 T412A411-Q415 WeakPolarHBondContact O-CG 3.39Å; A411-Q415 PolarHBondContact O-N 3.17Å; T412-Q415 PolarHBondContact O-N 3.43Å
416H69Low67.6Low130 Ų13062.7 Ų62.760%0.60235%0.35SS*.THydrogen-bonded Turntrans-91.8-7.4178.6-6284.5000112.8T412 I413 L414T412-H416 PolarHBondContact O-N 3.27Å; T412-H416 PolarHBondContact O-ND1 3.04Å; I413-H416 PolarHBondContact O-N 3.08Å; L414-H416 PolarHBondContact O-N 2.97Å
417T67.7Low68Low2 Ų262.9 Ų62.91%0.01235%0.348CS..SBendtrans-85.9115.8176.5-47.70000110.9N346 L347 L353 I413 L414 G419 L420N346-T417 VanDerWaalsContact OD1-CG2 3.31Å; N346-T417 WeakPolarHBondContact OD1-CG2 3.31Å; L347-T417 HydrophobicContact CD2-CG2 4.46Å; L347-T417 WeakPolarHBondContact CD2-OG1 3.13Å; L353-T417 HydrophobicContact CD1-CG2 4.42Å; I413-T417 PolarHBondContact O-N 2.87Å; I413-T417 PolarHBondContact O-OG1 3Å; L414-T417 PolarHBondContact O-N 3.28Å; L414-T417 VanDerWaalsContact O-N 3.12Å; T417-G419 PolarHBondContact O-N 3.27Å; T417-L420 HydrophobicContact CG2-CD1 4.33Å; T417-L420 PolarHBondContact O-N 3Å
418K66.3Low68.4Low161 Ų16160.6 Ų60.670%0.733%0.334SS*.THydrogen-bonded Turntrans-54.8123.3175.6-73-176179.5175.60111E421K418-E421 WeakPolarHBondContact CA-OE1 3.3Å
419G64.9Low68.7Low47 Ų4762 Ų6249%0.48533%0.33SS..THydrogen-bonded Turntrans93-1.5-178.600000116.3T417 E421T417-G419 PolarHBondContact O-N 3.27Å; G419-E421 PolarHBondContact N-OE1 3.06Å; G419-E421 VanDerWaalsContact N-OE1 3.09Å
420L66.1Low68.9Low2 Ų265.7 Ų65.71%0.0134%0.341CS..  trans-121.912.9172.1-65.9176.6000113.5P187 I190 L343 L353 L414 T417 N422 V423P187-L420 HydrophobicContact CB-CD2 4.37Å; P187-L420 HydrophobicContact CG-CD1 4.2Å; I190-L420 HydrophobicContact CD1-CD2 4.31Å; L343-L420 HydrophobicContact CD2-CD1 4.27Å; L353-L420 HydrophobicContact CD1-CD1 4.48Å; L353-L420 HydrophobicContact CD2-CD1 3.4Å; L353-L420 VanDerWaalsContact CD2-CD1 3.4Å; L353-L420 HydrophobicContact CD2-CD2 3.99Å; L353-L420 HydrophobicContact CD2-CG 3.57Å; L414-L420 HydrophobicContact CD2-CB 3.99Å; L414-L420 HydrophobicContact CD2-CD1 3.25Å; L414-L420 HydrophobicContact CD2-CG 4.22Å; T417-L420 HydrophobicContact CG2-CD1 4.33Å; T417-L420 PolarHBondContact O-N 3Å; L420-N422 PolarHBondContact O-N 2.98Å; L420-V423 HydrophobicContact CB-CG2 3.95Å; L420-V423 HydrophobicContact CD2-CG2 3.79Å; L420-V423 HydrophobicContact CG-CG2 4.42Å; L420-V423 WeakPolarHBondContact O-CG2 3.26Å; L420-V423 PolarHBondContact O-N 2.71Å; L420-V423 VanDerWaalsContact O-N 3.07Å
421E62.1Low69.1Low113 Ų11366 Ų6653%0.52834%0.342SS..THydrogen-bonded Turntrans-54.2-22.4-172.6-66.3136.4-149.700115.9K418 G419K418-E421 WeakPolarHBondContact CA-OE1 3.3Å; G419-E421 PolarHBondContact N-OE1 3.06Å; G419-E421 VanDerWaalsContact N-OE1 3.09Å
422N62.2Low69.3Low94 Ų9465.7 Ų65.750%0.50334%0.337SS..THydrogen-bonded Turntrans-128.132.9177.410-34.7000114.1R189 L420 T424R189-N422 VanDerWaalsContact CZ-C 3.44Å; R189-N422 VanDerWaalsContact CZ-CB 3.48Å; R189-N422 PolarHBondContact NE-O 2.93Å; R189-N422 PolarHBondContact NH1-ND2 3.34Å; R189-N422 PolarHBondContact NH1-O 3.13Å; R189-N422 PolarHBondContact NH2-O 3.39Å; L420-N422 PolarHBondContact O-N 2.98Å; N422-T424 PolarHBondContact O-N 3.02Å
423V66.9Low69.3Low27 Ų2767.1 Ų67.116%0.16434%0.339CS..  trans-59.5125161.5175.10000109P187 L414 L420 N427 L428P187-V423 HydrophobicContact CB-CG1 4.38Å; P187-V423 HydrophobicContact CB-CG2 4.19Å; L414-V423 HydrophobicContact CD1-CG1 4.27Å; L420-V423 HydrophobicContact CB-CG2 3.95Å; L420-V423 HydrophobicContact CD2-CG2 3.79Å; L420-V423 HydrophobicContact CG-CG2 4.42Å; L420-V423 WeakPolarHBondContact O-CG2 3.26Å; L420-V423 PolarHBondContact O-N 2.71Å; L420-V423 VanDerWaalsContact O-N 3.07Å; V423-N427 HydrophobicContact CG1-CB 4.32Å; V423-L428 HydrophobicContact CG1-CB 4.41Å
424T67.8Low69.6Low61 Ų6168.4 Ų68.437%0.37435%0.348SS..  trans-79.5154.6175.457.50000110.3N422 E426 N427 L428N422-T424 PolarHBondContact O-N 3.02Å; T424-E426 VanDerWaalsContact C-N 3.25Å; T424-E426 PolarHBondContact O-N 3.12Å; T424-N427 PolarHBondContact O-N 2.69Å; T424-N427 VanDerWaalsContact O-N 3.08Å; T424-N427 WeakPolarHBondContact OG1-CB 3.48Å; T424-N427 VanDerWaalsContact OG1-CG 3.3Å; T424-N427 PolarHBondContact OG1-N 2.93Å; T424-N427 PolarHBondContact OG1-ND2 3.18Å; T424-L428 PolarHBondContact O-N 2.72Å
425T68.4Low69.8Low88 Ų8868.2 Ų68.254%0.5435%0.347SS..Hα-helixtrans-54.6-41.5174.345.80000112N427 L428 E429T425-N427 PolarHBondContact O-N 2.82Å; T425-L428 VanDerWaalsContact O-CB 3.26Å; T425-L428 WeakPolarHBondContact O-CB 3.26Å; T425-L428 PolarHBondContact O-N 3.04Å; T425-L428 VanDerWaalsContact O-N 3.15Å; T425-E429 PolarHBondContact O-N 3.31Å
426E67.5Low70Confident127 Ų12765.9 Ų65.959%0.59335%0.345SS*.Hα-helixtrans-62.8-37.2176.1-64.7173.2-172.100113.6T424 L428 K430T424-E426 VanDerWaalsContact C-N 3.25Å; T424-E426 PolarHBondContact O-N 3.12Å; E426-L428 VanDerWaalsContact C-N 3.32Å; E426-K430 WeakPolarHBondContact O-CG 3.37Å; E426-K430 PolarHBondContact O-N 2.73Å
427N71.7Confident70Confident43 Ų4365 Ų6523%0.2335%0.349CS..Hα-helixtrans-73.6-30.1176.7-77.7-31.3000111.5V423 T424 T425 W431V423-N427 HydrophobicContact CG1-CB 4.32Å; T424-N427 PolarHBondContact O-N 2.69Å; T424-N427 VanDerWaalsContact O-N 3.08Å; T424-N427 WeakPolarHBondContact OG1-CB 3.48Å; T424-N427 VanDerWaalsContact OG1-CG 3.3Å; T424-N427 PolarHBondContact OG1-N 2.93Å; T424-N427 PolarHBondContact OG1-ND2 3.18Å; T425-N427 PolarHBondContact O-N 2.82Å; N427-W431 WeakPolarHBondContact O-CB 3.36Å; N427-W431 PolarHBondContact O-N 3.21Å
428L72.6Confident70.4Confident2 Ų265.9 Ų65.91%0.0135%0.353CS..Hα-helixtrans-65.6-50.1174.6-169.7116.5000111.5V407 V410 L414 V423 T424 T425 E426 K430 W431 L432V407-L428 HydrophobicContact CB-CD2 4.09Å; V407-L428 HydrophobicContact CG1-CD2 3.49Å; V407-L428 VanDerWaalsContact CG1-CD2 3.49Å; V407-L428 HydrophobicContact CG2-CD2 4.32Å; V410-L428 HydrophobicContact CB-CD1 4.3Å; V410-L428 HydrophobicContact CB-CD2 4.3Å; V410-L428 HydrophobicContact CG1-CD1 3.9Å; L414-L428 HydrophobicContact CD1-CD1 3.01Å; L414-L428 HydrophobicContact CD1-CG 4.41Å; L414-L428 HydrophobicContact CG-CD1 4.36Å; V423-L428 HydrophobicContact CG1-CB 4.41Å; T424-L428 PolarHBondContact O-N 2.72Å; T425-L428 VanDerWaalsContact O-CB 3.26Å; T425-L428 WeakPolarHBondContact O-CB 3.26Å; T425-L428 PolarHBondContact O-N 3.04Å; T425-L428 VanDerWaalsContact O-N 3.15Å; E426-L428 VanDerWaalsContact C-N 3.32Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 2.86Å; L428-W431 WeakPolarHBondContact O-CB 3.44Å; L428-W431 PolarHBondContact O-N 3.16Å; L428-L432 HydrophobicContact CD2-CD1 3.65Å; L428-L432 HydrophobicContact CD2-CG 4.35Å; L428-L432 HydrophobicContact CG-CD1 4.3Å; L428-L432 HydrophobicContact CG-CG 4.49Å; L428-L432 WeakPolarHBondContact O-CG 3.31Å; L428-L432 PolarHBondContact O-N 3.35Å
429E71.9Confident70.3Confident93 Ų9360.2 Ų60.244%0.43533%0.332SS..Hα-helixtrans-58-47.4178.1-72.7173.9173.300110.7V407 T425 W431 L432 E433V407-E429 HydrophobicContact CG1-CG 4.42Å; V407-E429 HydrophobicContact CG2-CG 4.44Å; T425-E429 PolarHBondContact O-N 3.31Å; E429-W431 VanDerWaalsContact C-N 3.26Å; E429-W431 PolarHBondContact O-N 2.67Å; E429-L432 PolarHBondContact O-N 3.33Å; E429-E433 WeakPolarHBondContact O-CB 3.45Å; E429-E433 WeakPolarHBondContact O-CG 3.27Å; E429-E433 PolarHBondContact O-N 3.29Å
430K74.1Confident70.2Confident134 Ų13458 Ų5858%0.58331%0.309SS*.Hα-helixtrans-58.5-35.5174.7-73.6173.8-175.91690113.4E426 L428 V434E426-K430 WeakPolarHBondContact O-CG 3.37Å; E426-K430 PolarHBondContact O-N 2.73Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 2.86Å; K430-V434 PolarHBondContact O-N 3.18Å; K430-V434 VanDerWaalsContact O-N 3.12Å
431W76.1Confident70.5Confident9 Ų958.9 Ų58.93%0.03431%0.313CS..Hα-helixtrans-74.4-41.8177.8170.467.5000112.3C185 L186 P187 R339 L343 V410 N427 L428 E429 E433 V434C185-W431 PolarHBondContact O-NE1 2.99Å; L186-W431 VanDerWaalsContact C-CD1 3.45Å; L186-W431 VanDerWaalsContact C-NE1 3.3Å; P187-W431 HydrophobicContact CB-CB 4.46Å; P187-W431 HydrophobicContact CB-CD2 4.22Å; P187-W431 HydrophobicContact CB-CG 4.17Å; P187-W431 HydrophobicContact CG-CD2 3.63Å; P187-W431 HydrophobicContact CG-CE3 3.84Å; P187-W431 HydrophobicContact CG-CG 4.07Å; P187-W431 HydrophobicContact CG-CH2 4.12Å; P187-W431 HydrophobicContact CG-CZ2 3.95Å; P187-W431 HydrophobicContact CG-CZ3 4.09Å; R339-W431 HydrophobicContact CB-CH2 3.55Å; R339-W431 HydrophobicContact CB-CZ2 3.99Å; R339-W431 HydrophobicContact CB-CZ3 3.92Å; R339-W431 HydrophobicContact CG-CH2 4.18Å; R339-W431 HydrophobicContact CG-CZ2 4.16Å; L343-W431 HydrophobicContact CD1-CH2 3.56Å; L343-W431 HydrophobicContact CD1-CZ3 3.84Å; L343-W431 HydrophobicContact CD2-CH2 4.46Å; L343-W431 HydrophobicContact CG-CH2 3.97Å; V410-W431 HydrophobicContact CG1-CZ3 4.19Å; N427-W431 WeakPolarHBondContact O-CB 3.36Å; N427-W431 PolarHBondContact O-N 3.21Å; L428-W431 WeakPolarHBondContact O-CB 3.44Å; L428-W431 PolarHBondContact O-N 3.16Å; E429-W431 VanDerWaalsContact C-N 3.26Å; E429-W431 PolarHBondContact O-N 2.67Å; W431-E433 PolarHBondContact O-N 2.9Å; W431-V434 WeakPolarHBondContact O-CB 3.34Å; W431-V434 VanDerWaalsContact O-CG1 3.23Å; W431-V434 WeakPolarHBondContact O-CG1 3.11Å; W431-V434 PolarHBondContact O-N 3.39Å
432L74.2Confident71.2Confident12 Ų1256.2 Ų56.26%0.06330%0.3CS..Hα-helixtrans-61.6-28.7174.7-69.3177000111.8R336 R339 V407 L428 E429R336-L432 HydrophobicContact CG-CD2 4.35Å; R339-L432 HydrophobicContact CB-CD2 3.86Å; R339-L432 HydrophobicContact CG-CD2 4.22Å; V407-L432 HydrophobicContact CG2-CD1 4.33Å; L428-L432 HydrophobicContact CD2-CD1 3.65Å; L428-L432 HydrophobicContact CD2-CG 4.35Å; L428-L432 HydrophobicContact CG-CD1 4.3Å; L428-L432 HydrophobicContact CG-CG 4.49Å; L428-L432 WeakPolarHBondContact O-CG 3.31Å; L428-L432 PolarHBondContact O-N 3.35Å; E429-L432 PolarHBondContact O-N 3.33Å
433E74.1Confident71.7Confident104 Ų10454.7 Ų54.749%0.48629%0.294SS..THydrogen-bonded Turntrans-102.47.9-178.8-63.1-176.8171.700114.1E429 W431 D435 S436E429-E433 WeakPolarHBondContact O-CB 3.45Å; E429-E433 WeakPolarHBondContact O-CG 3.27Å; E429-E433 PolarHBondContact O-N 3.29Å; W431-E433 PolarHBondContact O-N 2.9Å; E433-D435 PolarHBondContact O-N 3.33Å; E433-S436 VanDerWaalsContact O-CB 3.25Å; E433-S436 WeakPolarHBondContact O-CB 3.46Å; E433-S436 PolarHBondContact O-N 3.1Å; E433-S436 PolarHBondContact O-OG 3.17Å
434V76.9Confident72.2Confident56 Ų5654.2 Ų54.234%0.33929%0.291SS..THydrogen-bonded Turntrans-56.9-29.8-172.370.30000114.1K430 W431K430-V434 PolarHBondContact O-N 3.18Å; K430-V434 VanDerWaalsContact O-N 3.12Å; W431-V434 WeakPolarHBondContact O-CB 3.34Å; W431-V434 VanDerWaalsContact O-CG1 3.23Å; W431-V434 WeakPolarHBondContact O-CG1 3.11Å; W431-V434 PolarHBondContact O-N 3.39Å
435D76.8Confident72.9Confident1 Ų155 Ų551%0.00530%0.295CS..THydrogen-bonded Turntrans-114.612.4-178.550.635.4000112.6L181 F182 K335 R339 E433 T437 E438L181-D435 WeakPolarHBondContact CD1-OD2 3.21Å; F182-D435 HydrophobicContact CD2-CB 3.82Å; F182-D435 HydrophobicContact CE2-CB 4.09Å; K335-D435 VanDerWaalsContact CD-OD1 3.24Å; K335-D435 WeakPolarHBondContact CD-OD1 3.36Å; K335-D435 VanDerWaalsContact CE-OD1 3.32Å; K335-D435 WeakPolarHBondContact CE-OD1 3.45Å; K335-D435 VanDerWaalsContact NZ-C 3.35Å; K335-D435 PolarHBondContact NZ-O 2.91Å; K335-D435 IonicContact NZ-OD1 3.02Å; K335-D435 PolarHBondContact NZ-OD1 3.09Å; R339-D435 IonicContact CZ-OD2 2.65Å; R339-D435 IonicContact NH2-OD2 2.58Å; R339-D435 PolarHBondContact NH2-OD2 3.14Å; E433-D435 PolarHBondContact O-N 3.33Å; D435-T437 PolarHBondContact O-N 3.37Å; D435-T437 VanDerWaalsContact O-N 3.13Å; D435-E438 HydrophobicContact CB-CB 4.45Å; D435-E438 HydrophobicContact CB-CG 4.05Å; D435-E438 PolarHBondContact O-N 3.37Å; D435-E438 VanDerWaalsContact O-N 3.16Å
436S72.6Confident73.5Confident77 Ų7753 Ų5354%0.53828%0.282SS..THydrogen-bonded Turntrans-56.9-26.617857.50000113.7E433E433-S436 VanDerWaalsContact O-CB 3.25Å; E433-S436 WeakPolarHBondContact O-CB 3.46Å; E433-S436 PolarHBondContact O-N 3.1Å; E433-S436 PolarHBondContact O-OG 3.17Å
437T69.7Low74Confident113 Ų11351.4 Ų51.469%0.69328%0.284SS*.THydrogen-bonded Turntrans-104.37.2-17755.70000113.7D435 P439D435-T437 PolarHBondContact O-N 3.37Å; D435-T437 VanDerWaalsContact O-N 3.13Å; T437-P439 VanDerWaalsContact O-CD 3.25Å; T437-P439 WeakPolarHBondContact O-CD 3.4Å
438E75.9Confident74.4Confident19 Ų1952.9 Ų52.99%0.08929%0.289CS..  trans-85.1107.2-177.2-71.7-71.8134.200111.2G180 F182 K203 R208 D435 G440G180-E438 PolarHBondContact N-O 2.76Å; F182-E438 HydrophobicContact CE2-CG 3.74Å; F182-E438 HydrophobicContact CZ-CG 3.94Å; K203-E438 IonicContact NZ-OE1 3.91Å; K203-E438 PolarHBondContact NZ-OE1 3.02Å; R208-E438 IonicContact NE-OE2 3.99Å; D435-E438 HydrophobicContact CB-CB 4.45Å; D435-E438 HydrophobicContact CB-CG 4.05Å; D435-E438 PolarHBondContact O-N 3.37Å; D435-E438 VanDerWaalsContact O-N 3.16Å; E438-G440 PolarHBondContact O-N 3.31Å
439P63.3Low74.8Confident42 Ų4252.9 Ų52.927%0.27329%0.29SS..  trans-76.512-162.530.8-35.4000115.1T437 Y441 V443T437-P439 VanDerWaalsContact O-CD 3.25Å; T437-P439 WeakPolarHBondContact O-CD 3.4Å; P439-Y441 HydrophobicContact CB-CD1 4.16Å; P439-Y441 HydrophobicContact CB-CE1 3.68Å; P439-Y441 HydrophobicContact CB-CE2 4.15Å; P439-Y441 HydrophobicContact CG-CE2 4.31Å; P439-Y441 WeakPolarHBondContact O-CD1 3.47Å; P439-Y441 VanDerWaalsContact O-CE1 3.29Å; P439-Y441 WeakPolarHBondContact O-CE1 3.43Å; P439-Y441 PolarHBondContact O-N 3.14Å; P439-V443 HydrophobicContact CG-CG2 3.68Å
440G64.4Low75.2Confident0 Ų049.4 Ų49.40%027%0.274CS..SBendtrans67.6-21.6179.800000115.9T210 M257 E438T210-G440 WeakPolarHBondContact CG2-O 3.5Å; T210-G440 PolarHBondContact OG1-O 3.3Å; M257-G440 PolarHBondContact N-O 3.26Å; E438-G440 PolarHBondContact O-N 3.31Å
441Y70.5Confident75.5Confident22 Ų2246.7 Ų46.79%0.08626%0.26CS..BIsolated β-bridgetrans-116.4156.7176.362.1-100.9000112.8A92 W256 S294 P295 T296 P439 V443A92-Y441 VanDerWaalsContact CB-OH 3.24Å; A92-Y441 WeakPolarHBondContact CB-OH 3.4Å; W256-Y441 VanDerWaalsContact CZ3-C 3.42Å; W256-Y441 WeakPolarHBondContact CZ3-O 3.39Å; S294-Y441 VanDerWaalsContact OG-CD1 3.31Å; S294-Y441 WeakPolarHBondContact OG-CD1 3.21Å; P295-Y441 HydrophobicContact CG-CD2 3.8Å; P295-Y441 HydrophobicContact CG-CE2 4.11Å; P295-Y441 HydrophobicContact CG-CG 4.09Å; T296-Y441 VanDerWaalsContact CG2-CB 3.41Å; T296-Y441 HydrophobicContact CG2-CG 4.39Å; P439-Y441 HydrophobicContact CB-CD1 4.16Å; P439-Y441 HydrophobicContact CB-CE1 3.68Å; P439-Y441 HydrophobicContact CB-CE2 4.15Å; P439-Y441 HydrophobicContact CG-CE2 4.31Å; P439-Y441 WeakPolarHBondContact O-CD1 3.47Å; P439-Y441 VanDerWaalsContact O-CE1 3.29Å; P439-Y441 WeakPolarHBondContact O-CE1 3.43Å; P439-Y441 PolarHBondContact O-N 3.14Å; Y441-V443 HydrophobicContact CD2-CG2 4.31Å; Y441-V443 HydrophobicContact CE2-CG2 3.94Å; Y441-V443 PolarHBondContact O-N 2.68Å
442E77.1Confident75.6Confident57 Ų5752.4 Ų52.427%0.26628%0.282SS..  trans-69.2125-175.6-167.6168.7-137.300111.3W256 L444 R452W256-E442 HydrophobicContact CB-CB 4.15Å; W256-E442 HydrophobicContact CD2-CB 3.82Å; W256-E442 HydrophobicContact CD2-CG 4.37Å; W256-E442 HydrophobicContact CE3-CB 4.44Å; W256-E442 VanDerWaalsContact CE3-N 3.3Å; W256-E442 HydrophobicContact CG-CB 3.64Å; W256-E442 HydrophobicContact CG-CG 4.25Å; E442-L444 HydrophobicContact CG-CD2 3.67Å; E442-L444 HydrophobicContact CG-CG 4.17Å; E442-R452 IonicContact OE2-CZ 2.65Å; E442-R452 IonicContact OE2-NH1 3.03Å; E442-R452 PolarHBondContact OE2-NH1 3.33Å
443V74.1Confident75.8Confident62 Ų6252 Ų5238%0.37628%0.28SS..  trans-102.5105.9173.6-179.20000108.2P439 Y441P439-V443 HydrophobicContact CG-CG2 3.68Å; Y441-V443 HydrophobicContact CD2-CG2 4.31Å; Y441-V443 HydrophobicContact CE2-CG2 3.94Å; Y441-V443 PolarHBondContact O-N 2.68Å
444L76.6Confident76Confident17 Ų1750.2 Ų50.29%0.08927%0.272CS..  trans-90136.3-176.5-59.3171.7000111.4E85 Q89 E442 E448 I449E85-L444 HydrophobicContact CG-CD1 3.98Å; Q89-L444 PolarHBondContact NE2-O 3.32Å; Q89-L444 PolarHBondContact OE1-O 3.15Å; E442-L444 HydrophobicContact CG-CD2 3.67Å; E442-L444 HydrophobicContact CG-CG 4.17Å; L444-E448 HydrophobicContact CB-CB 4.16Å; L444-E448 HydrophobicContact CD2-CB 4.02Å; L444-I449 HydrophobicContact CB-CD1 4.4Å; L444-I449 HydrophobicContact CB-CG1 3.6Å; L444-I449 HydrophobicContact CD1-CG1 4.23Å
445T82Confident75.5Confident77 Ų7750.2 Ų50.247%0.47228%0.283SS..  trans-68.8161.4165.463.80000111.2S447 E448 I449T445-S447 VanDerWaalsContact C-N 3.25Å; T445-S447 PolarHBondContact O-N 3.01Å; T445-E448 WeakPolarHBondContact CB-OE2 3.3Å; T445-E448 PolarHBondContact N-OE2 3.4Å; T445-E448 PolarHBondContact O-N 2.89Å; T445-E448 VanDerWaalsContact OG1-CG 3.27Å; T445-E448 WeakPolarHBondContact OG1-CG 3.49Å; T445-E448 PolarHBondContact OG1-N 3.17Å; T445-E448 PolarHBondContact OG1-OE2 3.48Å; T445-I449 VanDerWaalsContact O-CG1 3.31Å; T445-I449 WeakPolarHBondContact O-CG1 3.44Å; T445-I449 PolarHBondContact O-N 3.39Å
446D80.6Confident74.6Confident47 Ų4755.5 Ų55.525%0.25131%0.307SS..Hα-helixtrans-54.9-41.8179.5-68.4-16.8000112.8R105 F108 F109 I449 I450R105-D446 VanDerWaalsContact CZ-CG 3.5Å; R105-D446 IonicContact CZ-OD1 3.95Å; R105-D446 IonicContact CZ-OD2 3.06Å; R105-D446 IonicContact NH1-OD1 2.63Å; R105-D446 IonicContact NH1-OD2 2.86Å; R105-D446 PolarHBondContact NH1-OD2 2.81Å; R105-D446 IonicContact NH2-OD1 3.37Å; R105-D446 PolarHBondContact NH2-OD1 3.19Å; R105-D446 IonicContact NH2-OD2 3.72Å; R105-D446 PolarHBondContact NH2-OD2 3.36Å; F108-D446 HydrophobicContact CE1-CB 4.09Å; F108-D446 HydrophobicContact CZ-CB 4.42Å; F109-D446 HydrophobicContact CE1-CB 4.32Å; D446-I449 PolarHBondContact O-N 3.49Å; D446-I450 VanDerWaalsContact O-CD1 3.28Å; D446-I450 WeakPolarHBondContact O-CD1 2.97Å; D446-I450 WeakPolarHBondContact O-CG1 3.15Å; D446-I450 PolarHBondContact O-N 2.7Å
447S79.1Confident73.4Confident92 Ų9257.3 Ų57.364%0.64332%0.315SS*.Hα-helixtrans-64-39.5177.8-53.30000112.3T445 I450 R451T445-S447 VanDerWaalsContact C-N 3.25Å; T445-S447 PolarHBondContact O-N 3.01Å; S447-I450 PolarHBondContact O-N 2.88Å; S447-R451 WeakPolarHBondContact O-CB 3.41Å; S447-R451 PolarHBondContact O-N 2.58Å
448E80.8Confident72.1Confident74 Ų7455.8 Ų55.835%0.34630%0.303SS..Hα-helixtrans-71.2-38.1177.2-69.1160161.300111.8L444 T445 I450 R451 R452L444-E448 HydrophobicContact CB-CB 4.16Å; L444-E448 HydrophobicContact CD2-CB 4.02Å; T445-E448 WeakPolarHBondContact CB-OE2 3.3Å; T445-E448 PolarHBondContact N-OE2 3.4Å; T445-E448 PolarHBondContact O-N 2.89Å; T445-E448 VanDerWaalsContact OG1-CG 3.27Å; T445-E448 WeakPolarHBondContact OG1-CG 3.49Å; T445-E448 PolarHBondContact OG1-N 3.17Å; T445-E448 PolarHBondContact OG1-OE2 3.48Å; E448-I450 VanDerWaalsContact C-N 3.33Å; E448-I450 PolarHBondContact O-N 3.06Å; E448-R451 PolarHBondContact O-N 2.91Å; E448-R452 VanDerWaalsContact O-CB 3.3Å; E448-R452 WeakPolarHBondContact O-CB 3.44Å; E448-R452 PolarHBondContact O-N 3.02Å
449I80.3Confident70.2Confident3 Ų363.4 Ų63.42%0.01534%0.339CS..Hα-helixtrans-59-46173.1-65.7170.6000110.2A82 E85 W86 Q89 F109 L444 T445 D446 R452 A453A82-I449 HydrophobicContact CB-CG2 3.75Å; A82-I449 WeakPolarHBondContact O-CG2 3.48Å; E85-I449 HydrophobicContact CB-CG2 4.19Å; E85-I449 HydrophobicContact CG-CG1 4.1Å; E85-I449 HydrophobicContact CG-CG2 4.37Å; W86-I449 HydrophobicContact CB-CD1 3.99Å; Q89-I449 VanDerWaalsContact NE2-CD1 3.34Å; F109-I449 HydrophobicContact CE1-CB 4.38Å; F109-I449 HydrophobicContact CE1-CG2 4.1Å; F109-I449 HydrophobicContact CZ-CB 4.49Å; F109-I449 HydrophobicContact CZ-CD1 4.27Å; F109-I449 HydrophobicContact CZ-CG2 4.06Å; L444-I449 HydrophobicContact CB-CD1 4.4Å; L444-I449 HydrophobicContact CB-CG1 3.6Å; L444-I449 HydrophobicContact CD1-CG1 4.23Å; T445-I449 VanDerWaalsContact O-CG1 3.31Å; T445-I449 WeakPolarHBondContact O-CG1 3.44Å; T445-I449 PolarHBondContact O-N 3.39Å; D446-I449 PolarHBondContact O-N 3.49Å; I449-R452 PolarHBondContact O-N 3.35Å; I449-A453 VanDerWaalsContact O-CB 3.27Å; I449-A453 WeakPolarHBondContact O-CB 3.27Å; I449-A453 PolarHBondContact O-N 2.98Å
450I81.1Confident68.8Low20 Ų2066 Ų6610%0.10336%0.358CS..Hα-helixtrans-60.3-51.2178-70.4159.2000110.3F109 A112 L113 D446 S447 E448 R452 A453 Q454F109-I450 HydrophobicContact CD1-CD1 4.09Å; F109-I450 HydrophobicContact CD1-CG1 3.67Å; F109-I450 HydrophobicContact CE1-CD1 4.25Å; F109-I450 HydrophobicContact CE1-CG1 3.9Å; A112-I450 HydrophobicContact CB-CD1 3.42Å; A112-I450 VanDerWaalsContact CB-CD1 3.42Å; A112-I450 HydrophobicContact CB-CG1 4.27Å; L113-I450 HydrophobicContact CD2-CB 4.34Å; L113-I450 HydrophobicContact CD2-CG2 3.75Å; L113-I450 HydrophobicContact CG-CG2 4.3Å; D446-I450 VanDerWaalsContact O-CD1 3.28Å; D446-I450 WeakPolarHBondContact O-CD1 2.97Å; D446-I450 WeakPolarHBondContact O-CG1 3.15Å; D446-I450 PolarHBondContact O-N 2.7Å; S447-I450 PolarHBondContact O-N 2.88Å; E448-I450 VanDerWaalsContact C-N 3.33Å; E448-I450 PolarHBondContact O-N 3.06Å; I450-R452 VanDerWaalsContact C-N 3.35Å; I450-R452 PolarHBondContact O-N 3.12Å; I450-A453 WeakPolarHBondContact O-CB 3.44Å; I450-A453 PolarHBondContact O-N 3.29Å; I450-A453 VanDerWaalsContact O-N 3.11Å; I450-Q454 PolarHBondContact O-N 3.49Å
451R78.9Confident67.4Low77 Ų7770 Ų7029%0.29139%0.386SS..Hα-helixtrans-60.1-44.2-179.1-170.6-176.962.8170.24.1112.1S447 E448 A453 Q454 G455 Q456 D458S447-R451 WeakPolarHBondContact O-CB 3.41Å; S447-R451 PolarHBondContact O-N 2.58Å; E448-R451 PolarHBondContact O-N 2.91Å; R451-A453 VanDerWaalsContact C-N 3.33Å; R451-A453 PolarHBondContact O-N 2.97Å; R451-Q454 PolarHBondContact O-N 3.42Å; R451-G455 PolarHBondContact O-N 2.82Å; R451-Q456 HydrophobicContact CG-CB 3.55Å; R451-Q456 WeakPolarHBondContact CG-O 3.25Å; R451-Q456 PolarHBondContact O-N 3.01Å; R451-Q456 VanDerWaalsContact O-N 3.15Å; R451-D458 IonicContact CZ-OD1 3.95Å; R451-D458 IonicContact CZ-OD2 2.63Å; R451-D458 IonicContact NH1-OD1 3.29Å; R451-D458 PolarHBondContact NH1-OD1 2.91Å; R451-D458 IonicContact NH1-OD2 3.07Å; R451-D458 IonicContact NH2-OD1 3.13Å; R451-D458 PolarHBondContact NH2-OD1 3.1Å; R451-D458 IonicContact NH2-OD2 3.84Å; R451-D458 PolarHBondContact NH2-OD2 3.22Å
452R78.8Confident65.5Low129 Ų12977.4 Ų77.449%0.48742%0.421SS..Hα-helixtrans-64.5-37.6175.7-166.9175.6-167.7147-1.4111.7E442 E448 I449 I450 Q454 G455E442-R452 IonicContact OE2-CZ 2.65Å; E442-R452 IonicContact OE2-NH1 3.03Å; E442-R452 PolarHBondContact OE2-NH1 3.33Å; E448-R452 VanDerWaalsContact O-CB 3.3Å; E448-R452 WeakPolarHBondContact O-CB 3.44Å; E448-R452 PolarHBondContact O-N 3.02Å; I449-R452 PolarHBondContact O-N 3.35Å; I450-R452 VanDerWaalsContact C-N 3.35Å; I450-R452 PolarHBondContact O-N 3.12Å; R452-Q454 VanDerWaalsContact C-N 3.33Å; R452-G455 PolarHBondContact O-N 3.43Å
453A77.6Confident63.5Low4 Ų480.9 Ų80.93%0.03344%0.441CS..Hα-helixtrans-67.1-32.5175.600000112.7E78 R81 A82 L113 I449 I450 R451 G455E78-A453 HydrophobicContact CB-CB 4.46Å; E78-A453 WeakPolarHBondContact CG-O 3.43Å; R81-A453 PolarHBondContact NH1-O 3.39Å; R81-A453 PolarHBondContact NH2-O 3.14Å; A82-A453 HydrophobicContact CB-CB 3.88Å; L113-A453 HydrophobicContact CD2-CB 4.1Å; I449-A453 VanDerWaalsContact O-CB 3.27Å; I449-A453 WeakPolarHBondContact O-CB 3.27Å; I449-A453 PolarHBondContact O-N 2.98Å; I450-A453 WeakPolarHBondContact O-CB 3.44Å; I450-A453 PolarHBondContact O-N 3.29Å; I450-A453 VanDerWaalsContact O-N 3.11Å; R451-A453 VanDerWaalsContact C-N 3.33Å; R451-A453 PolarHBondContact O-N 2.97Å; A453-G455 PolarHBondContact O-N 2.99Å
454Q78.2Confident61.4Low66 Ų6686.2 Ų86.231%0.30846%0.462SS..THydrogen-bonded Turntrans-78.4-1.9174-70.4173.8-28.600113.6L113 I450 R451 R452 Q456L113-Q454 HydrophobicContact CD2-CG 3.61Å; L113-Q454 PolarHBondContact O-NE2 3.09Å; L113-Q454 VanDerWaalsContact O-NE2 3.1Å; I450-Q454 PolarHBondContact O-N 3.49Å; R451-Q454 PolarHBondContact O-N 3.42Å; R452-Q454 VanDerWaalsContact C-N 3.33Å; Q454-Q456 HydrophobicContact CB-CG 4.36Å; Q454-Q456 PolarHBondContact O-N 2.95Å
455G66.3Low59.4Low55 Ų5593.2 Ų93.257%0.56750%0.495SS*.THydrogen-bonded Turntrans72.211.9-178.100000113.9R451 R452 A453 T457R451-G455 PolarHBondContact O-N 2.82Å; R452-G455 PolarHBondContact O-N 3.43Å; A453-G455 PolarHBondContact O-N 2.99Å; G455-T457 PolarHBondContact O-N 2.75Å; G455-T457 VanDerWaalsContact O-N 3.1Å
456Q58.1Low57.1Low113 Ų11394.5 Ų94.553%0.52850%0.495SS..  trans-75.495.8170.8-68.4177.19.200107.8R451 Q454R451-Q456 HydrophobicContact CG-CB 3.55Å; R451-Q456 WeakPolarHBondContact CG-O 3.25Å; R451-Q456 PolarHBondContact O-N 3.01Å; R451-Q456 VanDerWaalsContact O-N 3.15Å; Q454-Q456 HydrophobicContact CB-CG 4.36Å; Q454-Q456 PolarHBondContact O-N 2.95Å
457T47.6Very low54.7Low115 Ų115100.7 Ų100.771%0.70652%0.522SS*.  trans-67.6146.2165.8410000109.3G455 E459G455-T457 PolarHBondContact O-N 2.75Å; G455-T457 VanDerWaalsContact O-N 3.1Å; T457-E459 PolarHBondContact O-N 2.93Å
458D42.3Very low52.7Low81 Ų81103 Ų10343%0.43353%0.526SS..  trans-50.899.9166.5-80.6-61.5000110.1R451R451-D458 IonicContact CZ-OD1 3.95Å; R451-D458 IonicContact CZ-OD2 2.63Å; R451-D458 IonicContact NH1-OD1 3.29Å; R451-D458 PolarHBondContact NH1-OD1 2.91Å; R451-D458 IonicContact NH1-OD2 3.07Å; R451-D458 IonicContact NH2-OD1 3.13Å; R451-D458 PolarHBondContact NH2-OD1 3.1Å; R451-D458 IonicContact NH2-OD2 3.84Å; R451-D458 PolarHBondContact NH2-OD2 3.22Å
459E37.3Very low50.4Low179 Ų179107.2 Ų107.284%0.83655%0.546SS*.  trans-77-4.1163.2-74.4-169.5162.600111.2T457 S461T457-E459 PolarHBondContact O-N 2.93Å; E459-S461 VanDerWaalsContact C-N 3.29Å; E459-S461 PolarHBondContact O-N 3.37Å
460S33.1Very low48.2Very low96 Ų96114.6 Ų114.667%0.67158%0.584SS**  trans-90.859.2174.763.30000112.2
461S35.2Very low46.4Very low84 Ų84118.9 Ų118.959%0.58761%0.607SS**SBendtrans-163.789139.742.80000104.5E459 N463E459-S461 VanDerWaalsContact C-N 3.29Å; E459-S461 PolarHBondContact O-N 3.37Å; S461-N463 PolarHBondContact O-N 3.1Å
462E31Very low44.5Very low178 Ų178120.6 Ų120.683%0.83263%0.627SS**  trans-40.3134.9158.8-70.3178.4159.800107.3E464E462-E464 PolarHBondContact O-N 3.47Å
463N34.2Very low43.1Very low130 Ų130122.6 Ų122.670%0.69564%0.643SS**  trans-55.498.4161.3-70.8-31.9000105.6S461 E465S461-N463 PolarHBondContact O-N 3.1Å; N463-E465 HydrophobicContact CB-CG 4.14Å; N463-E465 PolarHBondContact O-N 3.4Å
464E30.8Very low42.1Very low173 Ų173131.6 Ų131.681%0.80868%0.681SS**  trans-6383.8136.2-73.5-174.7-174.300103.5E462 E466E462-E464 PolarHBondContact O-N 3.47Å; E464-E466 PolarHBondContact O-N 3.43Å
465E34Very low41.4Very low165 Ų165136.3 Ų136.377%0.77170%0.703SS**  trans-5383.1142.1-77.3-178.1-177.400103.9N463 E467N463-E465 HydrophobicContact CB-CG 4.14Å; N463-E465 PolarHBondContact O-N 3.4Å; E465-E467 PolarHBondContact O-N 2.92Å
466E33.4Very low41.8Very low104 Ų104137.3 Ų137.349%0.48669%0.694SS.*  trans-49.9104.2162-100.4-169.1133.300104.2R235 E464 I468R235-E466 IonicContact CZ-OE1 3.98Å; R235-E466 IonicContact CZ-OE2 3.71Å; R235-E466 IonicContact NE-OE2 3.21Å; R235-E466 PolarHBondContact NE-OE2 3.19Å; R235-E466 IonicContact NH1-OE1 3.95Å; R235-E466 PolarHBondContact NH1-OE1 2.87Å; R235-E466 IonicContact NH1-OE2 3.12Å; R235-E466 PolarHBondContact NH1-OE2 2.99Å; R235-E466 VanDerWaalsContact NH2-CB 3.3Å; R235-E466 IonicContact NH2-OE1 2.75Å; R235-E466 PolarHBondContact NH2-OE1 3.31Å; R235-E466 VanDerWaalsContact NH2-OE1 3.1Å; R235-E466 IonicContact NH2-OE2 2.77Å; R235-E466 PolarHBondContact NH2-OE2 3.48Å; R235-E466 VanDerWaalsContact NH2-OE2 3.08Å; E464-E466 PolarHBondContact O-N 3.43Å; E466-I468 PolarHBondContact O-N 3.05Å
467E31.6Very low43Very low176 Ų176136.4 Ų136.482%0.82269%0.693SS**  trans-37.7112.9179-115.6178.6165.700106.8E465 E469E465-E467 PolarHBondContact O-N 2.92Å; E467-E469 PolarHBondContact O-N 3.23Å
468I35.4Very low44.8Very low141 Ų141134 Ų13472%0.72367%0.673SS**  trans-68.291.5174.5-58.7174000103.7E466 L470E466-I468 PolarHBondContact O-N 3.05Å; I468-L470 HydrophobicContact CG2-CG 4.26Å; I468-L470 PolarHBondContact O-N 3.31Å
469E33.5Very low46.7Very low162 Ų162132.7 Ų132.776%0.75767%0.674SS**  trans-55.7100154.5-96.5-169.8157.400105E467 I471E467-E469 PolarHBondContact O-N 3.23Å; E469-I471 PolarHBondContact O-N 3.33Å
470L34.7Very low49Very low158 Ų158125.4 Ų125.483%0.82764%0.644SS**  trans-62.977.4169.2-83150.2000106.9I468 P472I468-L470 HydrophobicContact CG2-CG 4.26Å; I468-L470 PolarHBondContact O-N 3.31Å; L470-P472 WeakPolarHBondContact O-CD 3.36Å
471I42.4Very low51.4Low111 Ų111121.9 Ų121.957%0.56962%0.621SS**  trans-61120.1163-55176.6000104.7E469 E473E469-I471 PolarHBondContact O-N 3.33Å; I471-E473 PolarHBondContact O-N 2.98Å
472P39Very low53.9Low112 Ų112118.6 Ų118.673%0.72760%0.597SS**  trans-54.4129.4-172.9-22.629.8000110.7L470 K474L470-P472 WeakPolarHBondContact O-CD 3.36Å; P472-K474 PolarHBondContact O-N 3.42Å
473E48.6Very low56.5Low172 Ų172115.5 Ų115.580%0.80458%0.582SS**  trans-55.9109.6173.3-74.8-177.4169.500109.1I471 H475I471-E473 PolarHBondContact O-N 2.98Å; E473-H475 PolarHBondContact O-N 3.1Å
474K57Low59.1Low193 Ų193116 Ų11684%0.83957%0.574SS**  trans-79.377.7176.6-155.7177.4-173179.60108.3P472 I476P472-K474 PolarHBondContact O-N 3.42Å; K474-I476 PolarHBondContact O-N 3.12Å; K474-I476 VanDerWaalsContact O-N 3.09Å
475H63.6Low61.7Low165 Ų165108.6 Ų108.676%0.76454%0.541SS*.  trans-67.8107.3176.9-170.1-76.1000109.8E473 N477E473-H475 PolarHBondContact O-N 3.1Å; H475-N477 PolarHBondContact O-N 3.41Å
476I75.4Confident64.1Low76 Ų76103.9 Ų103.939%0.3952%0.519SS..  trans-76.2119.2178.5-60150.2000108K474 A480 A481 W484K474-I476 PolarHBondContact O-N 3.12Å; K474-I476 VanDerWaalsContact O-N 3.09Å; I476-A480 HydrophobicContact CG2-CB 3.89Å; I476-A481 HydrophobicContact CG2-CB 4.1Å; I476-W484 HydrophobicContact CB-CZ3 4.49Å; I476-W484 HydrophobicContact CD1-CE3 4.43Å; I476-W484 HydrophobicContact CD1-CH2 3.64Å; I476-W484 HydrophobicContact CD1-CZ3 3.32Å; I476-W484 HydrophobicContact CG1-CH2 3.66Å; I476-W484 HydrophobicContact CG1-CZ3 3.8Å; I476-W484 HydrophobicContact CG2-CE3 4.32Å; I476-W484 HydrophobicContact CG2-CH2 4.04Å; I476-W484 HydrophobicContact CG2-CZ3 3.92Å
477N83.7Confident66.6Low93 Ų93103 Ų10350%0.49752%0.518SS..  trans-70.8158.8177.17241000111.3H475 A479 A480 A481H475-N477 PolarHBondContact O-N 3.41Å; N477-A479 PolarHBondContact O-N 3.23Å; N477-A479 WeakPolarHBondContact OD1-CB 3.42Å; N477-A479 PolarHBondContact OD1-N 2.92Å; N477-A479 VanDerWaalsContact OD1-N 3.12Å; N477-A480 PolarHBondContact O-N 3.04Å; N477-A480 WeakPolarHBondContact OD1-CB 3.44Å; N477-A480 PolarHBondContact OD1-N 3.02Å; N477-A481 PolarHBondContact O-N 3.31Å
478H84.4Confident69.1Low65 Ų6598.6 Ų98.630%0.30150%0.499SS..Hα-helixtrans-59.3-30.3-177.7-67.2-43.6000113.8L482 I513 Q517H478-L482 VanDerWaalsContact O-CG 3.24Å; H478-L482 WeakPolarHBondContact O-CG 3.23Å; H478-L482 PolarHBondContact O-N 3.25Å; H478-I513 HydrophobicContact CB-CG2 4.46Å; H478-Q517 HydrophobicContact CB-CB 3.91Å; H478-Q517 HydrophobicContact CB-CG 3.84Å
479A82.1Confident71.4Confident54 Ų5492.2 Ų92.245%0.44647%0.466SS..Hα-helixtrans-69.8-45.5178.800000111.7N477 L482 Q483N477-A479 PolarHBondContact O-N 3.23Å; N477-A479 WeakPolarHBondContact OD1-CB 3.42Å; N477-A479 PolarHBondContact OD1-N 2.92Å; N477-A479 VanDerWaalsContact OD1-N 3.12Å; A479-L482 PolarHBondContact O-N 3.15Å; A479-Q483 PolarHBondContact O-N 3.45Å
480A85.5Confident73.8Confident26 Ų2688.2 Ų88.222%0.21545%0.451CS..Hα-helixtrans-63.1-42.3175.500000111.4I476 N477 L482 Q483 W484I476-A480 HydrophobicContact CG2-CB 3.89Å; N477-A480 PolarHBondContact O-N 3.04Å; N477-A480 WeakPolarHBondContact OD1-CB 3.44Å; N477-A480 PolarHBondContact OD1-N 3.02Å; A480-L482 VanDerWaalsContact C-N 3.35Å; A480-L482 PolarHBondContact O-N 3.38Å; A480-Q483 PolarHBondContact O-N 3.24Å; A480-W484 VanDerWaalsContact O-CG 3.24Å; A480-W484 PolarHBondContact O-N 3.29Å
481A84.9Confident76.1Confident21 Ų2186.8 Ų86.817%0.17444%0.435CS..Hα-helixtrans-61.7-41.5175.900000112.2I476 N477 W484 T485 I513I476-A481 HydrophobicContact CG2-CB 4.1Å; N477-A481 PolarHBondContact O-N 3.31Å; A481-W484 PolarHBondContact O-N 2.63Å; A481-T485 WeakPolarHBondContact O-CG2 3.28Å; A481-T485 PolarHBondContact O-N 3.38Å; A481-T485 PolarHBondContact O-OG1 3.36Å; A481-I513 HydrophobicContact CB-CD1 4.28Å; A481-I513 HydrophobicContact CB-CG2 4.22Å
482L85.9Confident77.7Confident15 Ų1583.2 Ų83.28%0.07942%0.417CS..Hα-helixtrans-64.1-45.1175.4-73.8171.3000111.8H478 A479 A480 W484 T485 E486 R510 I513 R514 Q517H478-L482 VanDerWaalsContact O-CG 3.24Å; H478-L482 WeakPolarHBondContact O-CG 3.23Å; H478-L482 PolarHBondContact O-N 3.25Å; A479-L482 PolarHBondContact O-N 3.15Å; A480-L482 VanDerWaalsContact C-N 3.35Å; A480-L482 PolarHBondContact O-N 3.38Å; L482-W484 VanDerWaalsContact C-N 3.29Å; L482-W484 PolarHBondContact O-N 3.07Å; L482-T485 PolarHBondContact O-N 3.43Å; L482-T485 VanDerWaalsContact O-N 3.15Å; L482-T485 PolarHBondContact O-OG1 3.37Å; L482-E486 PolarHBondContact O-N 3.33Å; L482-R510 HydrophobicContact CD2-CG 3.81Å; L482-I513 HydrophobicContact CD1-CG2 4.5Å; L482-I513 HydrophobicContact CD2-CB 3.9Å; L482-I513 HydrophobicContact CD2-CG2 3.73Å; L482-I513 HydrophobicContact CG-CB 4.45Å; L482-I513 HydrophobicContact CG-CG2 3.72Å; L482-R514 HydrophobicContact CD1-CG 3.96Å; L482-R514 HydrophobicContact CD2-CG 3.53Å; L482-R514 HydrophobicContact CG-CG 4.43Å; L482-Q517 VanDerWaalsContact CD1-OE1 3.3Å
483Q86.4Confident79.5Confident113 Ų11382.6 Ų82.653%0.52840%0.404SS..Hα-helixtrans-60.3-40.2177.6-170174.51000111.6A479 A480 E486 N487A479-Q483 PolarHBondContact O-N 3.45Å; A480-Q483 PolarHBondContact O-N 3.24Å; Q483-E486 PolarHBondContact O-N 2.96Å; Q483-N487 WeakPolarHBondContact O-CB 3.19Å; Q483-N487 PolarHBondContact O-N 3.48Å; Q483-N487 PolarHBondContact O-OD1 2.83Å
484W87.9Confident81.1Confident140 Ų14081.5 Ų81.553%0.5340%0.399SS..Hα-helixtrans-65.8-40175-64.9-8.9000112.6I476 A480 A481 L482 E486 L488I476-W484 HydrophobicContact CB-CZ3 4.49Å; I476-W484 HydrophobicContact CD1-CE3 4.43Å; I476-W484 HydrophobicContact CD1-CH2 3.64Å; I476-W484 HydrophobicContact CD1-CZ3 3.32Å; I476-W484 HydrophobicContact CG1-CH2 3.66Å; I476-W484 HydrophobicContact CG1-CZ3 3.8Å; I476-W484 HydrophobicContact CG2-CE3 4.32Å; I476-W484 HydrophobicContact CG2-CH2 4.04Å; I476-W484 HydrophobicContact CG2-CZ3 3.92Å; A480-W484 VanDerWaalsContact O-CG 3.24Å; A480-W484 PolarHBondContact O-N 3.29Å; A481-W484 PolarHBondContact O-N 2.63Å; L482-W484 VanDerWaalsContact C-N 3.29Å; L482-W484 PolarHBondContact O-N 3.07Å; W484-E486 VanDerWaalsContact C-N 3.3Å; W484-E486 PolarHBondContact O-N 3.22Å; W484-L488 VanDerWaalsContact O-CB 3.24Å; W484-L488 WeakPolarHBondContact O-CB 3.22Å; W484-L488 PolarHBondContact O-N 3.36Å
485T86.1Confident82Confident18 Ų1877.2 Ų77.211%0.1138%0.382CS..Hα-helixtrans-66.4-31.817558.40000113A481 L482 L489 I513A481-T485 WeakPolarHBondContact O-CG2 3.28Å; A481-T485 PolarHBondContact O-N 3.38Å; A481-T485 PolarHBondContact O-OG1 3.36Å; L482-T485 PolarHBondContact O-N 3.43Å; L482-T485 VanDerWaalsContact O-N 3.15Å; L482-T485 PolarHBondContact O-OG1 3.37Å; T485-L489 VanDerWaalsContact O-CG 3.26Å; T485-L489 WeakPolarHBondContact O-CG 3.46Å; T485-L489 PolarHBondContact O-N 3.29Å; T485-L489 VanDerWaalsContact O-N 3.11Å; T485-I513 HydrophobicContact CG2-CD1 3.97Å
486E84.7Confident81.9Confident67 Ų6772.7 Ų72.731%0.31338%0.38SS..Hα-helixtrans-72.1-50.2175.4-74.4174.5176.400110.6L482 Q483 W484 L488 L489 D490 R514L482-E486 PolarHBondContact O-N 3.33Å; Q483-E486 PolarHBondContact O-N 2.96Å; W484-E486 VanDerWaalsContact C-N 3.3Å; W484-E486 PolarHBondContact O-N 3.22Å; E486-L488 PolarHBondContact O-N 2.89Å; E486-L489 WeakPolarHBondContact O-CB 3.32Å; E486-L489 PolarHBondContact O-N 3.01Å; E486-D490 VanDerWaalsContact O-CG 3.28Å; E486-D490 PolarHBondContact O-N 3.25Å; E486-R514 IonicContact OE1-NH2 2.92Å; E486-R514 PolarHBondContact OE1-NH2 2.99Å
487N86.8Confident81.1Confident86 Ų8676.7 Ų76.746%0.4640%0.402SS..Hα-helixtrans-57.9-37.1175.7-66.9-4.2000112.6Q483 D490 Y491Q483-N487 WeakPolarHBondContact O-CB 3.19Å; Q483-N487 PolarHBondContact O-N 3.48Å; Q483-N487 PolarHBondContact O-OD1 2.83Å; N487-D490 PolarHBondContact O-N 3.28Å; N487-Y491 WeakPolarHBondContact O-CB 3.45Å; N487-Y491 PolarHBondContact O-N 3.07Å
488L83.4Confident79.9Confident83 Ų8375 Ų7544%0.43539%0.392SS..Hα-helixtrans-70-40.5177.4-171.568000111.5W484 E486 D490 L492 I506W484-L488 VanDerWaalsContact O-CB 3.24Å; W484-L488 WeakPolarHBondContact O-CB 3.22Å; W484-L488 PolarHBondContact O-N 3.36Å; E486-L488 PolarHBondContact O-N 2.89Å; L488-D490 VanDerWaalsContact C-N 3.33Å; L488-L492 HydrophobicContact CG-CD1 4.16Å; L488-L492 WeakPolarHBondContact O-CB 3.47Å; L488-L492 WeakPolarHBondContact O-CD1 3.4Å; L488-L492 WeakPolarHBondContact O-CG 3.27Å; L488-L492 PolarHBondContact O-N 3.03Å; L488-I506 HydrophobicContact CD2-CD1 3.74Å; L488-I506 HydrophobicContact CD2-CG1 4.31Å; L488-I506 HydrophobicContact CG-CD1 4.12Å
489L84.1Confident79Confident6 Ų677.3 Ų77.33%0.03141%0.405CS..Hα-helixtrans-61.4-43.5172.8-77.5167.8000111.1T485 E486 L492 E493 R503 I506 R507T485-L489 VanDerWaalsContact O-CG 3.26Å; T485-L489 WeakPolarHBondContact O-CG 3.46Å; T485-L489 PolarHBondContact O-N 3.29Å; T485-L489 VanDerWaalsContact O-N 3.11Å; E486-L489 WeakPolarHBondContact O-CB 3.32Å; E486-L489 PolarHBondContact O-N 3.01Å; L489-L492 PolarHBondContact O-N 2.9Å; L489-E493 WeakPolarHBondContact O-CB 3.33Å; L489-E493 VanDerWaalsContact O-CG 3.31Å; L489-E493 WeakPolarHBondContact O-CG 3.17Å; L489-E493 PolarHBondContact O-N 3.11Å; L489-R503 HydrophobicContact CD2-CG 4.18Å; L489-I506 HydrophobicContact CD1-CG2 4.14Å; L489-I506 HydrophobicContact CD2-CB 3.97Å; L489-I506 HydrophobicContact CD2-CG2 3.83Å; L489-I506 HydrophobicContact CG-CB 4.34Å; L489-I506 HydrophobicContact CG-CG2 3.63Å; L489-R507 HydrophobicContact CD1-CG 4.2Å; L489-R507 HydrophobicContact CD2-CG 4.22Å
490D84Confident78.4Confident79 Ų7980.9 Ų80.942%0.42242%0.416SS..Hα-helixtrans-65.7-44.6179.9-65.2-12.4000111.4E486 N487 L488 L492 E493 Q494E486-D490 VanDerWaalsContact O-CG 3.28Å; E486-D490 PolarHBondContact O-N 3.25Å; N487-D490 PolarHBondContact O-N 3.28Å; L488-D490 VanDerWaalsContact C-N 3.33Å; D490-L492 VanDerWaalsContact C-N 3.3Å; D490-L492 PolarHBondContact O-N 2.9Å; D490-E493 PolarHBondContact O-N 3.02Å; D490-Q494 VanDerWaalsContact O-CG 3.3Å; D490-Q494 WeakPolarHBondContact O-CG 3.25Å; D490-Q494 PolarHBondContact O-N 3Å
491Y82.9Confident77.9Confident127 Ų12783 Ų8350%0.49843%0.428SS..Hα-helixtrans-56.7-47.8173.7170.8-99.6000111N487 E493 Q494 Q495N487-Y491 WeakPolarHBondContact O-CB 3.45Å; N487-Y491 PolarHBondContact O-N 3.07Å; Y491-E493 VanDerWaalsContact C-N 3.35Å; Y491-E493 PolarHBondContact O-N 3.3Å; Y491-Q494 WeakPolarHBondContact O-CB 3.31Å; Y491-Q494 PolarHBondContact O-N 2.88Å; Y491-Q494 VanDerWaalsContact O-N 3.11Å; Y491-Q495 HydrophobicContact CD1-CG 4.47Å; Y491-Q495 HydrophobicContact CE1-CG 3.96Å; Y491-Q495 HydrophobicContact CE2-CG 4.22Å; Y491-Q495 PolarHBondContact O-N 3.45Å
492L76.5Confident77.4Confident37 Ų3786 Ų8619%0.19444%0.441CS..Hα-helixtrans-66.9-34.1-178.8-81177.1000113.1L488 L489 D490 Q494 Q495 M498 I506L488-L492 HydrophobicContact CG-CD1 4.16Å; L488-L492 WeakPolarHBondContact O-CB 3.47Å; L488-L492 WeakPolarHBondContact O-CD1 3.4Å; L488-L492 WeakPolarHBondContact O-CG 3.27Å; L488-L492 PolarHBondContact O-N 3.03Å; L489-L492 PolarHBondContact O-N 2.9Å; D490-L492 VanDerWaalsContact C-N 3.3Å; D490-L492 PolarHBondContact O-N 2.9Å; L492-Q494 PolarHBondContact O-N 3.49Å; L492-Q495 PolarHBondContact O-N 2.81Å; L492-M498 HydrophobicContact CB-CE 3.83Å; L492-M498 HydrophobicContact CB-SD 3.48Å; L492-M498 WeakPolarHBondContact CB-SD 3.43Å; L492-M498 HydrophobicContact CD1-SD 3.85Å; L492-M498 HydrophobicContact CD2-SD 3.95Å; L492-M498 HydrophobicContact CG-SD 3.96Å; L492-M498 WeakPolarHBondContact O-CE 3.33Å; L492-I506 HydrophobicContact CD1-CD1 3.19Å
493E76.8Confident76.8Confident99 Ų9988.7 Ų88.746%0.46345%0.45SS..Hα-helixtrans-64.9-26.3172.6-77.6-179.817900112.5L489 D490 Y491 R503L489-E493 WeakPolarHBondContact O-CB 3.33Å; L489-E493 VanDerWaalsContact O-CG 3.31Å; L489-E493 WeakPolarHBondContact O-CG 3.17Å; L489-E493 PolarHBondContact O-N 3.11Å; D490-E493 PolarHBondContact O-N 3.02Å; Y491-E493 VanDerWaalsContact C-N 3.35Å; Y491-E493 PolarHBondContact O-N 3.3Å; E493-R503 IonicContact OE1-CZ 3.14Å; E493-R503 IonicContact OE1-NH1 2.87Å; E493-R503 PolarHBondContact OE1-NH1 3.22Å; E493-R503 IonicContact OE1-NH2 2.85Å
494Q80.9Confident76.5Confident149 Ų14988 Ų8870%0.69645%0.45SS*.Hα-helixtrans-82.2-22.5179.9-67.716715.600114D490 Y491 L492 G496D490-Q494 VanDerWaalsContact O-CG 3.3Å; D490-Q494 WeakPolarHBondContact O-CG 3.25Å; D490-Q494 PolarHBondContact O-N 3Å; Y491-Q494 WeakPolarHBondContact O-CB 3.31Å; Y491-Q494 PolarHBondContact O-N 2.88Å; Y491-Q494 VanDerWaalsContact O-N 3.11Å; L492-Q494 PolarHBondContact O-N 3.49Å; Q494-G496 PolarHBondContact O-N 3.02Å
495Q76.4Confident76.3Confident103 Ų10385.2 Ų85.248%0.48145%0.448SS..SBendtrans-81.6-5.8-171.6-67-58.3-58.900115.1Y491 L492 D497Y491-Q495 HydrophobicContact CD1-CG 4.47Å; Y491-Q495 HydrophobicContact CE1-CG 3.96Å; Y491-Q495 HydrophobicContact CE2-CG 4.22Å; Y491-Q495 PolarHBondContact O-N 3.45Å; L492-Q495 PolarHBondContact O-N 2.81Å; Q495-D497 PolarHBondContact O-N 3.37Å
496G62.1Low76.1Confident70 Ų7085.3 Ų85.372%0.72245%0.447SS*.SBendtrans70.2-32.5171.800000117Q494Q494-G496 PolarHBondContact O-N 3.02Å
497D58.7Low76Confident160 Ų16086.6 Ų86.686%0.85645%0.45SS*.  trans-101.534.8-174.1-77.8-28.9000113.6Q495Q495-D497 PolarHBondContact O-N 3.37Å
498M57.9Low75.9Confident57 Ų5790.1 Ų90.128%0.28146%0.461SS..  trans-95.2134.7-172.8-171.6-178.535.500114.2L492 R503L492-M498 HydrophobicContact CB-CE 3.83Å; L492-M498 HydrophobicContact CB-SD 3.48Å; L492-M498 WeakPolarHBondContact CB-SD 3.43Å; L492-M498 HydrophobicContact CD1-SD 3.85Å; L492-M498 HydrophobicContact CD2-SD 3.95Å; L492-M498 HydrophobicContact CG-SD 3.96Å; L492-M498 WeakPolarHBondContact O-CE 3.33Å; M498-R503 HydrophobicContact CE-CB 4.16Å; M498-R503 HydrophobicContact SD-CB 4.15Å
499I64.8Low76Confident113 Ų11390.6 Ų90.658%0.57946%0.463SS*.  trans-79.9127.7175.2-31.8180000110.1P501 D502I499-P501 VanDerWaalsContact C-N 3.28Å; I499-P501 HydrophobicContact CG2-CG 4.09Å; I499-P501 WeakPolarHBondContact O-CD 3.41Å; I499-P501 VanDerWaalsContact O-N 3.09Å; I499-D502 PolarHBondContact O-N 2.91Å
500L70.2Confident76Confident129 Ų12993.3 Ų93.368%0.67547%0.473SS*.Hα-helixtrans-45.4-36.7179.2-159.995.3000115.8D502 L504L500-D502 PolarHBondContact O-N 3.43Å; L500-L504 HydrophobicContact CD2-CD1 4.27Å; L500-L504 WeakPolarHBondContact O-CG 3.39Å; L500-L504 PolarHBondContact O-N 3.23Å
501P74.1Confident76.1Confident72 Ų7291.7 Ų91.747%0.46847%0.471SS..Hα-helixtrans-60.4-41179.7-25.236.7000114.2I499 R503 L504 V505I499-P501 VanDerWaalsContact C-N 3.28Å; I499-P501 HydrophobicContact CG2-CG 4.09Å; I499-P501 WeakPolarHBondContact O-CD 3.41Å; I499-P501 VanDerWaalsContact O-N 3.09Å; P501-R503 VanDerWaalsContact C-N 3.34Å; P501-R503 PolarHBondContact O-N 3.06Å; P501-L504 WeakPolarHBondContact O-CB 3.26Å; P501-L504 PolarHBondContact O-N 3.43Å; P501-V505 WeakPolarHBondContact O-CG2 3.38Å; P501-V505 PolarHBondContact O-N 2.59Å
502D74.4Confident76.2Confident82 Ų8288.9 Ų88.944%0.43947%0.467SS..Hα-helixtrans-67.4-39.4-174.6-60.8-33000111.3I499 L500 L504 V505 I506I499-D502 PolarHBondContact O-N 2.91Å; L500-D502 PolarHBondContact O-N 3.43Å; D502-L504 VanDerWaalsContact C-N 3.3Å; D502-L504 PolarHBondContact O-N 2.91Å; D502-V505 PolarHBondContact O-N 2.63Å; D502-I506 WeakPolarHBondContact O-CG1 3.47Å; D502-I506 PolarHBondContact O-N 2.59Å
503R74.4Confident76.7Confident72 Ų7288.6 Ų88.627%0.27247%0.465SS..Hα-helixtrans-60.9-39172.4179.1175.2156.2122.3-9.1111.9L489 E493 M498 P501 R507L489-R503 HydrophobicContact CD2-CG 4.18Å; E493-R503 IonicContact OE1-CZ 3.14Å; E493-R503 IonicContact OE1-NH1 2.87Å; E493-R503 PolarHBondContact OE1-NH1 3.22Å; E493-R503 IonicContact OE1-NH2 2.85Å; M498-R503 HydrophobicContact CE-CB 4.16Å; M498-R503 HydrophobicContact SD-CB 4.15Å; P501-R503 VanDerWaalsContact C-N 3.34Å; P501-R503 PolarHBondContact O-N 3.06Å; R503-R507 WeakPolarHBondContact O-CB 3.44Å; R503-R507 WeakPolarHBondContact O-CG 3.48Å; R503-R507 PolarHBondContact O-N 3.04Å
504L78.7Confident77.1Confident100 Ų10088.7 Ų88.752%0.52446%0.461SS..Hα-helixtrans-68.8-39.2176.8-69.4173.4000111.6L500 P501 D502 R507 K508L500-L504 HydrophobicContact CD2-CD1 4.27Å; L500-L504 WeakPolarHBondContact O-CG 3.39Å; L500-L504 PolarHBondContact O-N 3.23Å; P501-L504 WeakPolarHBondContact O-CB 3.26Å; P501-L504 PolarHBondContact O-N 3.43Å; D502-L504 VanDerWaalsContact C-N 3.3Å; D502-L504 PolarHBondContact O-N 2.91Å; L504-R507 PolarHBondContact O-N 3.36Å; L504-K508 WeakPolarHBondContact O-CB 3.37Å; L504-K508 PolarHBondContact O-N 3.39Å
505V83.8Confident77.1Confident81 Ų8186.1 Ų86.149%0.49145%0.452SS..Hα-helixtrans-61.2-49.7175.6172.90000110.8P501 D502 R507 K508 L509P501-V505 WeakPolarHBondContact O-CG2 3.38Å; P501-V505 PolarHBondContact O-N 2.59Å; D502-V505 PolarHBondContact O-N 2.63Å; V505-R507 VanDerWaalsContact C-N 3.33Å; V505-R507 PolarHBondContact O-N 3.1Å; V505-K508 WeakPolarHBondContact O-CB 3.47Å; V505-K508 PolarHBondContact O-N 2.9Å; V505-K508 VanDerWaalsContact O-N 3.16Å; V505-L509 HydrophobicContact CG1-CD1 4.05Å; V505-L509 PolarHBondContact O-N 3.46Å
506I83.1Confident77.5Confident19 Ų1987.5 Ų87.510%0.09746%0.457CS..Hα-helixtrans-65.3-38.4-179.7-61.7165000110.9L488 L489 L492 D502 K508 L509 R510L488-I506 HydrophobicContact CD2-CD1 3.74Å; L488-I506 HydrophobicContact CD2-CG1 4.31Å; L488-I506 HydrophobicContact CG-CD1 4.12Å; L489-I506 HydrophobicContact CD1-CG2 4.14Å; L489-I506 HydrophobicContact CD2-CB 3.97Å; L489-I506 HydrophobicContact CD2-CG2 3.83Å; L489-I506 HydrophobicContact CG-CB 4.34Å; L489-I506 HydrophobicContact CG-CG2 3.63Å; L492-I506 HydrophobicContact CD1-CD1 3.19Å; D502-I506 WeakPolarHBondContact O-CG1 3.47Å; D502-I506 PolarHBondContact O-N 2.59Å; I506-K508 VanDerWaalsContact C-N 3.35Å; I506-K508 PolarHBondContact O-N 3.38Å; I506-L509 WeakPolarHBondContact O-CB 3.48Å; I506-L509 PolarHBondContact O-N 3.38Å; I506-R510 WeakPolarHBondContact O-CB 3.27Å; I506-R510 PolarHBondContact O-N 3.1Å
507R81.9Confident78.6Confident95 Ų9586.3 Ų86.336%0.35843%0.432SS..Hα-helixtrans-62.5-40.1173.7-77.5174.3173.1-158.1-8.9112.6L489 R503 L504 V505 R510 A511L489-R507 HydrophobicContact CD1-CG 4.2Å; L489-R507 HydrophobicContact CD2-CG 4.22Å; R503-R507 WeakPolarHBondContact O-CB 3.44Å; R503-R507 WeakPolarHBondContact O-CG 3.48Å; R503-R507 PolarHBondContact O-N 3.04Å; L504-R507 PolarHBondContact O-N 3.36Å; V505-R507 VanDerWaalsContact C-N 3.33Å; V505-R507 PolarHBondContact O-N 3.1Å; R507-R510 PolarHBondContact O-N 3.15Å; R507-A511 PolarHBondContact O-N 2.92Å
508K85.3Confident79.7Confident159 Ų15985.6 Ų85.669%0.69142%0.422SS*.Hα-helixtrans-66.8-41.8176.3-170.9179.6-179.6-177.80111.4L504 V505 I506 A511 T512L504-K508 WeakPolarHBondContact O-CB 3.37Å; L504-K508 PolarHBondContact O-N 3.39Å; V505-K508 WeakPolarHBondContact O-CB 3.47Å; V505-K508 PolarHBondContact O-N 2.9Å; V505-K508 VanDerWaalsContact O-N 3.16Å; I506-K508 VanDerWaalsContact C-N 3.35Å; I506-K508 PolarHBondContact O-N 3.38Å; K508-A511 PolarHBondContact O-N 3.1Å; K508-T512 PolarHBondContact O-N 3.43Å; K508-T512 PolarHBondContact O-OG1 3.43Å
509L84.9Confident80.6Confident93 Ų9389.2 Ų89.249%0.48744%0.439SS..Hα-helixtrans-58.6-48.6172.2-78.6164.1000111.1V505 I506 A511 T512 I513V505-L509 HydrophobicContact CG1-CD1 4.05Å; V505-L509 PolarHBondContact O-N 3.46Å; I506-L509 WeakPolarHBondContact O-CB 3.48Å; I506-L509 PolarHBondContact O-N 3.38Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 2.94Å; L509-T512 WeakPolarHBondContact O-CB 3.39Å; L509-T512 PolarHBondContact O-N 3.44Å; L509-T512 VanDerWaalsContact O-N 3.1Å; L509-I513 WeakPolarHBondContact O-CG1 3.34Å; L509-I513 PolarHBondContact O-N 3.03Å
510R85.1Confident81.1Confident64 Ų6487.1 Ų87.124%0.24243%0.432CS..Hα-helixtrans-56.6-45.7175.8-171.1179.873.1175.50.5112.2L482 I506 R507 T512 I513 R514L482-R510 HydrophobicContact CD2-CG 3.81Å; I506-R510 WeakPolarHBondContact O-CB 3.27Å; I506-R510 PolarHBondContact O-N 3.1Å; R507-R510 PolarHBondContact O-N 3.15Å; R510-T512 VanDerWaalsContact C-N 3.31Å; R510-T512 PolarHBondContact O-N 3.24Å; R510-I513 PolarHBondContact O-N 2.75Å; R510-R514 WeakPolarHBondContact O-CG 3.49Å; R510-R514 PolarHBondContact O-N 2.99Å
511A84.3Confident81.1Confident45 Ų4587.7 Ų87.737%0.37243%0.429SS..Hα-helixtrans-61-41.4176.800000112R507 K508 L509 R514 N515R507-A511 PolarHBondContact O-N 2.92Å; K508-A511 PolarHBondContact O-N 3.1Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 2.94Å; A511-R514 PolarHBondContact O-N 3.07Å; A511-N515 VanDerWaalsContact O-CG 3.29Å; A511-N515 PolarHBondContact O-N 3.09Å
512T85.8Confident80.4Confident67 Ų6788.5 Ų88.541%0.41144%0.436SS..Hα-helixtrans-64.2-43.8178.3-55.40000111.1K508 L509 R510 N515 K516K508-T512 PolarHBondContact O-N 3.43Å; K508-T512 PolarHBondContact O-OG1 3.43Å; L509-T512 WeakPolarHBondContact O-CB 3.39Å; L509-T512 PolarHBondContact O-N 3.44Å; L509-T512 VanDerWaalsContact O-N 3.1Å; R510-T512 VanDerWaalsContact C-N 3.31Å; R510-T512 PolarHBondContact O-N 3.24Å; T512-N515 PolarHBondContact O-N 3.46Å; T512-K516 WeakPolarHBondContact O-CG 3.31Å; T512-K516 PolarHBondContact O-N 3.45Å
513I86.5Confident79.3Confident32 Ų3289.6 Ų89.616%0.16445%0.45CS..Hα-helixtrans-64.8-43.5177.1-62.1162.3000110.7H478 A481 L482 T485 L509 R510 N515 K516 Q517H478-I513 HydrophobicContact CB-CG2 4.46Å; A481-I513 HydrophobicContact CB-CD1 4.28Å; A481-I513 HydrophobicContact CB-CG2 4.22Å; L482-I513 HydrophobicContact CD1-CG2 4.5Å; L482-I513 HydrophobicContact CD2-CB 3.9Å; L482-I513 HydrophobicContact CD2-CG2 3.73Å; L482-I513 HydrophobicContact CG-CB 4.45Å; L482-I513 HydrophobicContact CG-CG2 3.72Å; T485-I513 HydrophobicContact CG2-CD1 3.97Å; L509-I513 WeakPolarHBondContact O-CG1 3.34Å; L509-I513 PolarHBondContact O-N 3.03Å; R510-I513 PolarHBondContact O-N 2.75Å; I513-N515 VanDerWaalsContact C-N 3.32Å; I513-N515 PolarHBondContact O-N 3.35Å; I513-K516 PolarHBondContact O-N 3.32Å; I513-Q517 PolarHBondContact O-N 3.24Å
514R84.9Confident77.9Confident101 Ų10196.6 Ų96.638%0.38149%0.486SS..Hα-helixtrans-59.5-41.5175-75.5-171.8-177.6171.70.1111.9L482 E486 R510 A511 Q517 K518L482-R514 HydrophobicContact CD1-CG 3.96Å; L482-R514 HydrophobicContact CD2-CG 3.53Å; L482-R514 HydrophobicContact CG-CG 4.43Å; E486-R514 IonicContact OE1-NH2 2.92Å; E486-R514 PolarHBondContact OE1-NH2 2.99Å; R510-R514 WeakPolarHBondContact O-CG 3.49Å; R510-R514 PolarHBondContact O-N 2.99Å; A511-R514 PolarHBondContact O-N 3.07Å; R514-Q517 PolarHBondContact O-N 2.98Å; R514-K518 WeakPolarHBondContact O-CG 3.5Å; R514-K518 PolarHBondContact O-N 2.86Å
515N82.6Confident77.9Confident95 Ų9596.4 Ų96.451%0.50848%0.484SS..Hα-helixtrans-65.6-43.4177.7-72-12.4000111.6A511 T512 I513 Q517 K518 M519A511-N515 VanDerWaalsContact O-CG 3.29Å; A511-N515 PolarHBondContact O-N 3.09Å; T512-N515 PolarHBondContact O-N 3.46Å; I513-N515 VanDerWaalsContact C-N 3.32Å; I513-N515 PolarHBondContact O-N 3.35Å; N515-Q517 VanDerWaalsContact C-N 3.34Å; N515-Q517 PolarHBondContact O-N 2.9Å; N515-K518 PolarHBondContact O-N 3.27Å; N515-M519 WeakPolarHBondContact O-CG 3.18Å; N515-M519 PolarHBondContact O-N 3.01Å
516K84.4Confident77.5Confident132 Ų13297.2 Ų97.257%0.57448%0.484SS*.Hα-helixtrans-60.4-42.4174.1-73.8-174.2176-173.40112.1T512 I513 K518 M519 T520T512-K516 WeakPolarHBondContact O-CG 3.31Å; T512-K516 PolarHBondContact O-N 3.45Å; I513-K516 PolarHBondContact O-N 3.32Å; K516-K518 PolarHBondContact O-N 3.47Å; K516-M519 PolarHBondContact O-N 3.2Å; K516-T520 PolarHBondContact O-N 3.43Å; K516-T520 PolarHBondContact O-OG1 3.01Å
517Q85Confident77.2Confident45 Ų45101.6 Ų101.621%0.2151%0.505CS..Hα-helixtrans-63.1-38.6176.8-169.1-174.833.800112.7H478 L482 I513 R514 N515 T520 K521H478-Q517 HydrophobicContact CB-CB 3.91Å; H478-Q517 HydrophobicContact CB-CG 3.84Å; L482-Q517 VanDerWaalsContact CD1-OE1 3.3Å; I513-Q517 PolarHBondContact O-N 3.24Å; R514-Q517 PolarHBondContact O-N 2.98Å; N515-Q517 VanDerWaalsContact C-N 3.34Å; N515-Q517 PolarHBondContact O-N 2.9Å; Q517-T520 WeakPolarHBondContact CA-OG1 3.34Å; Q517-T520 PolarHBondContact O-OG1 2.72Å; Q517-K521 WeakPolarHBondContact O-CG 3.49Å; Q517-K521 PolarHBondContact O-N 3.47Å; Q517-K521 VanDerWaalsContact O-N 3.15Å
518K81.3Confident77Confident145 Ų145101.9 Ų101.963%0.6351%0.514SS*.Hα-helixtrans-65.7-42.9175.2-74177.7179.5-175.90111.7R514 N515 K516 T520 K521 S522R514-K518 WeakPolarHBondContact O-CG 3.5Å; R514-K518 PolarHBondContact O-N 2.86Å; N515-K518 PolarHBondContact O-N 3.27Å; K516-K518 PolarHBondContact O-N 3.47Å; K518-T520 VanDerWaalsContact C-N 3.34Å; K518-T520 PolarHBondContact O-N 3.29Å; K518-K521 PolarHBondContact O-N 3.26Å; K518-S522 PolarHBondContact O-N 2.98Å; K518-S522 PolarHBondContact O-OG 3.08Å
519M76.4Confident76.4Confident133 Ų13398.4 Ų98.466%0.65550%0.503SS*.Hα-helixtrans-65-35.4178.8-65.2-102.8-96.200112.6N515 K516 S522 S523N515-M519 WeakPolarHBondContact O-CG 3.18Å; N515-M519 PolarHBondContact O-N 3.01Å; K516-M519 PolarHBondContact O-N 3.2Å; M519-S522 WeakPolarHBondContact CA-OG 3.38Å; M519-S522 PolarHBondContact O-OG 3.04Å; M519-S523 PolarHBondContact O-N 3.44Å; M519-S523 PolarHBondContact O-OG 3.11Å
520T75.6Confident75.9Confident69 Ų6998.7 Ų98.742%0.42350%0.504SS..Hα-helixtrans-69.4-38.7173.89.60000111.7K516 Q517 K518 S522 S523K516-T520 PolarHBondContact O-N 3.43Å; K516-T520 PolarHBondContact O-OG1 3.01Å; Q517-T520 WeakPolarHBondContact CA-OG1 3.34Å; Q517-T520 PolarHBondContact O-OG1 2.72Å; K518-T520 VanDerWaalsContact C-N 3.34Å; K518-T520 PolarHBondContact O-N 3.29Å; T520-S522 VanDerWaalsContact C-N 3.34Å; T520-S523 PolarHBondContact O-N 2.94Å
521K70.8Confident75.2Confident141 Ų141101.2 Ų101.261%0.61352%0.523SS*.Hα-helixtrans-72.3-21.9177.1-75-176.8176.5-173.20114.4Q517 K518Q517-K521 WeakPolarHBondContact O-CG 3.49Å; Q517-K521 PolarHBondContact O-N 3.47Å; Q517-K521 VanDerWaalsContact O-N 3.15Å; K518-K521 PolarHBondContact O-N 3.26Å
522S59.8Low74.5Confident89 Ų89105.5 Ų105.562%0.62253%0.534SS*.THydrogen-bonded Turntrans-88.8-8.3176.162.40000113.8K518 M519 T520K518-S522 PolarHBondContact O-N 2.98Å; K518-S522 PolarHBondContact O-OG 3.08Å; M519-S522 WeakPolarHBondContact CA-OG 3.38Å; M519-S522 PolarHBondContact O-OG 3.04Å; T520-S522 VanDerWaalsContact C-N 3.34Å
523S51.3Low73.6Confident104 Ų104108.8 Ų108.873%0.72754%0.544SS*.  trans-105.5-0.8-179.4-50.60000112.9M519 T520M519-S523 PolarHBondContact O-N 3.44Å; M519-S523 PolarHBondContact O-OG 3.11Å; T520-S523 PolarHBondContact O-N 2.94Å
524Q44.1Very low72.4Confident219 Ų219115.7 Ų115.7100%1.02358%0.579SS**  trans-104.60168.4-71.1-179.1-22.300108

Retrieved 524 of 524 residues in 102 ms (Link to these results)

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