A0A077ZBN8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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
1M74Confident83.7Confident108 Ų10864.6 Ų64.653%0.53242%0.415SS..  0147.20-60.1-177.8115.400107.3L9 M21 F30 V32M1-L9 HydrophobicContact CB-CD1 3.79Å; M1-L9 HydrophobicContact SD-CD1 4.43Å; M1-M21 HydrophobicContact CE-CE 4.42Å; M1-M21 HydrophobicContact SD-CE 3.66Å; M1-F30 HydrophobicContact CE-CB 3.77Å; M1-F30 HydrophobicContact CE-CD1 3.07Å; M1-F30 HydrophobicContact CE-CD2 3.92Å; M1-F30 HydrophobicContact CE-CE1 3.48Å; M1-F30 VanDerWaalsContact CE-CE1 3.48Å; M1-F30 HydrophobicContact CE-CE2 4.25Å; M1-F30 HydrophobicContact CE-CG 3.3Å; M1-F30 HydrophobicContact CE-CZ 4.04Å; M1-F30 HydrophobicContact SD-CD1 4.16Å; M1-F30 HydrophobicContact SD-CE1 4.34Å; M1-V32 HydrophobicContact CG-CG2 4.31Å
2V76.6Confident83.9Confident47 Ų4763.4 Ų63.429%0.28541%0.405SS..  trans-103.3-40.4-179.8-175.90000109.7N8 L9 E31 A33V2-N8 PolarHBondContact O-OD1 3.15Å; V2-N8 VanDerWaalsContact O-OD1 3.08Å; V2-L9 PolarHBondContact O-N 3.37Å; V2-E31 HydrophobicContact CB-CB 4.45Å; V2-E31 HydrophobicContact CB-CG 4.39Å; V2-E31 PolarHBondContact N-O 2.85Å; V2-A33 HydrophobicContact CG2-CB 4.06Å
3A83.6Confident84.2Confident4 Ų464.8 Ų64.83%0.03341%0.412CS..EExtended strand (participates in β ladder)trans-14915817700000112.9Q7 E31A3-Q7 CarbonylContact C-O 3.58Å; A3-Q7 WeakPolarHBondContact CA-O 3.38Å; A3-Q7 VanDerWaalsContact CB-O 3.23Å; A3-Q7 WeakPolarHBondContact CB-O 3.09Å; A3-E31 HydrophobicContact CB-CB 3.85Å; A3-E31 PolarHBondContact N-O 3.05Å; A3-E31 PolarHBondContact O-N 3.43Å
4V86.6Confident84.6Confident1 Ų171.7 Ų71.71%0.00644%0.437CS..EExtended strand (participates in β ladder)trans-121.9124.2167-174.80000108.4G6 Q7 L9 M21 V28 N29 F30V4-G6 PolarHBondContact O-N 3.13Å; V4-G6 VanDerWaalsContact O-N 3.15Å; V4-Q7 PolarHBondContact N-O 3.01Å; V4-Q7 VanDerWaalsContact O-CB 3.29Å; V4-Q7 WeakPolarHBondContact O-CB 3.13Å; V4-Q7 PolarHBondContact O-N 2.74Å; V4-L9 HydrophobicContact CG2-CD1 3.33Å; V4-L9 HydrophobicContact CG2-CD2 3.93Å; V4-L9 HydrophobicContact CG2-CG 3.82Å; V4-M21 HydrophobicContact CG1-CG 4.06Å; V4-M21 HydrophobicContact CG2-CE 3.77Å; V4-M21 HydrophobicContact CG2-CG 4.22Å; V4-V28 HydrophobicContact CG1-CG1 3.54Å; V4-N29 CarbonylContact C-O 3.52Å; V4-N29 WeakPolarHBondContact CA-O 3.44Å; V4-F30 HydrophobicContact CB-CD1 4.41Å; V4-F30 HydrophobicContact CB-CE1 4.43Å; V4-F30 HydrophobicContact CG1-CD1 4.18Å; V4-F30 HydrophobicContact CG1-CE1 3.87Å; V4-F30 HydrophobicContact CG2-CD1 3.89Å; V4-F30 HydrophobicContact CG2-CE1 3.85Å
5N86.6Confident84.9Confident64 Ų6475.9 Ų75.934%0.34245%0.45SS..THydrogen-bonded Turntrans51.536.4-179.6-60.5-33.3000113.4Q7 S24 N29N5-Q7 VanDerWaalsContact C-N 3.26Å; N5-Q7 PolarHBondContact O-N 2.89Å; N5-S24 WeakPolarHBondContact ND2-CB 3.46Å; N5-N29 PolarHBondContact N-O 2.91Å; N5-N29 PolarHBondContact OD1-N 3Å
6G86.3Confident85.2Confident69 Ų6978.9 Ų78.971%0.71145%0.452SS*.THydrogen-bonded Turntrans79.6-2.9-176.200000115.2V4V4-G6 PolarHBondContact O-N 3.13Å; V4-G6 VanDerWaalsContact O-N 3.15Å
7Q83.9Confident85.4Confident114 Ų11475.1 Ų75.153%0.53343%0.432SS..EExtended strand (participates in β ladder)trans-87.4119.6174.8-61-65.1-26.400110.4A3 V4 N5 L9 L20A3-Q7 CarbonylContact C-O 3.58Å; A3-Q7 WeakPolarHBondContact CA-O 3.38Å; A3-Q7 VanDerWaalsContact CB-O 3.23Å; A3-Q7 WeakPolarHBondContact CB-O 3.09Å; V4-Q7 PolarHBondContact N-O 3.01Å; V4-Q7 VanDerWaalsContact O-CB 3.29Å; V4-Q7 WeakPolarHBondContact O-CB 3.13Å; V4-Q7 PolarHBondContact O-N 2.74Å; N5-Q7 VanDerWaalsContact C-N 3.26Å; N5-Q7 PolarHBondContact O-N 2.89Å; Q7-L9 PolarHBondContact O-N 2.59Å; Q7-L20 HydrophobicContact CB-CD1 3.93Å; Q7-L20 HydrophobicContact CG-CD2 4.46Å
8N87Confident85.7Confident96 Ų9673.3 Ų73.351%0.51343%0.428SS..EExtended strand (participates in β ladder)trans-61.7130.2179.9-171.51.7000110.9V2 V10 V12V2-N8 PolarHBondContact O-OD1 3.15Å; V2-N8 VanDerWaalsContact O-OD1 3.08Å; N8-V10 VanDerWaalsContact OD1-CB 3.31Å; N8-V10 WeakPolarHBondContact OD1-CB 3.4Å; N8-V10 VanDerWaalsContact OD1-CG2 3.24Å; N8-V10 WeakPolarHBondContact OD1-CG2 3.43Å; N8-V10 PolarHBondContact OD1-N 2.82Å; N8-V12 WeakPolarHBondContact O-CG2 3.47Å
9L84.3Confident85.9Confident20 Ų2075.6 Ų75.611%0.10543%0.432CS..  trans-99.1-4.3177.4-67.1-174.3000113.4M1 V2 V4 Q7 G11 V12 A17 L20M1-L9 HydrophobicContact CB-CD1 3.79Å; M1-L9 HydrophobicContact SD-CD1 4.43Å; V2-L9 PolarHBondContact O-N 3.37Å; V4-L9 HydrophobicContact CG2-CD1 3.33Å; V4-L9 HydrophobicContact CG2-CD2 3.93Å; V4-L9 HydrophobicContact CG2-CG 3.82Å; Q7-L9 PolarHBondContact O-N 2.59Å; L9-G11 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-A17 HydrophobicContact CD1-CB 4.39Å; L9-A17 HydrophobicContact CD2-CB 3.69Å; L9-L20 HydrophobicContact CD2-CD1 4.04Å
10V85.5Confident86Confident103 Ų10373.2 Ų73.262%0.62442%0.418SS*.THydrogen-bonded Turntrans-67.4118.4179.4179.90000109.3N8 V12N8-V10 VanDerWaalsContact OD1-CB 3.31Å; N8-V10 WeakPolarHBondContact OD1-CB 3.4Å; N8-V10 VanDerWaalsContact OD1-CG2 3.24Å; N8-V10 WeakPolarHBondContact OD1-CG2 3.43Å; N8-V10 PolarHBondContact OD1-N 2.82Å; V10-V12 VanDerWaalsContact C-N 3.33Å
11G86.4Confident86.1Confident85 Ų8572.7 Ų72.788%0.87641%0.413SS*.THydrogen-bonded Turntrans835.1-179.400000115.1L9L9-G11 PolarHBondContact O-N 3.32Å
12V85.7Confident86.9Confident50 Ų5072.5 Ų72.530%0.30342%0.422SS..  trans-91.2142.5178.5174.80000109.9N8 L9 V10 Y16 A17N8-V12 WeakPolarHBondContact O-CG2 3.47Å; L9-V12 PolarHBondContact O-N 3.31Å; V10-V12 VanDerWaalsContact C-N 3.33Å; V12-Y16 HydrophobicContact CG1-CD1 3.34Å; V12-Y16 HydrophobicContact CG1-CE1 4.33Å; V12-Y16 HydrophobicContact CG1-CG 3.92Å; V12-A17 HydrophobicContact CG1-CB 4.46Å
13T88.3Confident87.5Confident81 Ų8176.6 Ų76.650%0.49744%0.438SS..  trans-68.5154.5176.381.60000111.3E15 Y16 A17T13-E15 WeakPolarHBondContact CB-OE2 3.41Å; T13-E15 PolarHBondContact O-N 3.15Å; T13-E15 PolarHBondContact OG1-OE2 3.4Å; T13-Y16 PolarHBondContact O-N 3.43Å; T13-Y16 PolarHBondContact OG1-N 3.49Å; T13-A17 PolarHBondContact O-N 3.4Å
14Q89.3Confident87.6Confident162 Ų16277.5 Ų77.576%0.75744%0.444SS*.Hα-helixtrans-58.9-34.7-179.4-174.71751.700112.1A17 A18Q14-A17 PolarHBondContact O-N 2.83Å; Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 3.01Å
15E89.7Confident87.5Confident134 Ų13479.9 Ų79.963%0.62647%0.469SS*.Hα-helixtrans-66.6-42.9179.3-56.671.2-153.100111.3T13 A18 K19T13-E15 WeakPolarHBondContact CB-OE2 3.41Å; T13-E15 PolarHBondContact O-N 3.15Å; T13-E15 PolarHBondContact OG1-OE2 3.4Å; E15-A18 PolarHBondContact O-N 3.03Å; E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 PolarHBondContact O-N 3.07Å
16Y88.9Confident87.6Confident124 Ų12483.7 Ų83.749%0.48650%0.497SS..Hα-helixtrans-70.7-39.3178-170.6-89.6000111.1V12 T13 A18 K19 L20V12-Y16 HydrophobicContact CG1-CD1 3.34Å; V12-Y16 HydrophobicContact CG1-CE1 4.33Å; V12-Y16 HydrophobicContact CG1-CG 3.92Å; T13-Y16 PolarHBondContact O-N 3.43Å; T13-Y16 PolarHBondContact OG1-N 3.49Å; Y16-A18 VanDerWaalsContact C-N 3.33Å; Y16-A18 PolarHBondContact O-N 2.9Å; Y16-K19 WeakPolarHBondContact O-CB 3.48Å; Y16-K19 PolarHBondContact O-N 2.95Å; Y16-L20 HydrophobicContact CD1-CD1 3.98Å; Y16-L20 HydrophobicContact CD1-CG 4.19Å; Y16-L20 HydrophobicContact CE1-CD1 3.79Å; Y16-L20 HydrophobicContact CE1-CD2 4.24Å; Y16-L20 HydrophobicContact CE1-CG 4.01Å; Y16-L20 WeakPolarHBondContact O-CG 3.49Å; Y16-L20 PolarHBondContact O-N 3.13Å
17A89.2Confident87.6Confident14 Ų1485.3 Ų85.312%0.11649%0.493CS..Hα-helixtrans-59.5-43.8171.600000111.8L9 V12 T13 Q14 L20 M21L9-A17 HydrophobicContact CD1-CB 4.39Å; L9-A17 HydrophobicContact CD2-CB 3.69Å; V12-A17 HydrophobicContact CG1-CB 4.46Å; T13-A17 PolarHBondContact O-N 3.4Å; Q14-A17 PolarHBondContact O-N 2.83Å; A17-L20 PolarHBondContact O-N 3.3Å; A17-M21 WeakPolarHBondContact O-CG 3.29Å; A17-M21 PolarHBondContact O-N 2.81Å; A17-M21 VanDerWaalsContact O-N 3.13Å
18A90.3Very high87.8Confident44 Ų4482.1 Ų82.136%0.36448%0.481SS..Hα-helixtrans-64.6-38.5175.600000111.8Q14 E15 Y16 L20 M21 S22Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 3.01Å; E15-A18 PolarHBondContact O-N 3.03Å; Y16-A18 VanDerWaalsContact C-N 3.33Å; Y16-A18 PolarHBondContact O-N 2.9Å; A18-L20 PolarHBondContact O-N 3.07Å; A18-M21 PolarHBondContact O-N 3.25Å; A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 2.76Å; A18-S22 PolarHBondContact O-OG 3.42Å; A18-S22 VanDerWaalsContact O-OG 3.07Å
19K90.7Very high87.9Confident116 Ų11682.6 Ų82.650%0.50448%0.484SS..Hα-helixtrans-60.8-43.4174.3-175.8178.5178.4-179.70111.8E15 Y16 M21 S22 Q23E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 PolarHBondContact O-N 3.07Å; Y16-K19 WeakPolarHBondContact O-CB 3.48Å; Y16-K19 PolarHBondContact O-N 2.95Å; K19-M21 VanDerWaalsContact C-N 3.28Å; K19-M21 PolarHBondContact O-N 3.44Å; K19-S22 PolarHBondContact O-N 2.9Å; K19-Q23 HydrophobicContact CG-CG 4.37Å; K19-Q23 WeakPolarHBondContact O-CB 3.32Å; K19-Q23 VanDerWaalsContact O-CG 3.29Å; K19-Q23 WeakPolarHBondContact O-CG 3.23Å; K19-Q23 PolarHBondContact O-N 3.2Å
20L87.5Confident88.1Confident27 Ų2786.2 Ų86.214%0.14150%0.499CS..Hα-helixtrans-61.6-37.1175.3-68.9174.3000112Q7 L9 Y16 A17 A18 S24Q7-L20 HydrophobicContact CB-CD1 3.93Å; Q7-L20 HydrophobicContact CG-CD2 4.46Å; L9-L20 HydrophobicContact CD2-CD1 4.04Å; Y16-L20 HydrophobicContact CD1-CD1 3.98Å; Y16-L20 HydrophobicContact CD1-CG 4.19Å; Y16-L20 HydrophobicContact CE1-CD1 3.79Å; Y16-L20 HydrophobicContact CE1-CD2 4.24Å; Y16-L20 HydrophobicContact CE1-CG 4.01Å; Y16-L20 WeakPolarHBondContact O-CG 3.49Å; Y16-L20 PolarHBondContact O-N 3.13Å; A17-L20 PolarHBondContact O-N 3.3Å; A18-L20 PolarHBondContact O-N 3.07Å; L20-S24 PolarHBondContact O-N 3.13Å
21M88.3Confident88.2Confident63 Ų6386.9 Ų86.931%0.3150%0.495SS..Hα-helixtrans-70.1-42.4173.9-64.2178-167.400111.9M1 V4 A17 A18 K19 Q23 S24 F30M1-M21 HydrophobicContact CE-CE 4.42Å; M1-M21 HydrophobicContact SD-CE 3.66Å; V4-M21 HydrophobicContact CG1-CG 4.06Å; V4-M21 HydrophobicContact CG2-CE 3.77Å; V4-M21 HydrophobicContact CG2-CG 4.22Å; A17-M21 WeakPolarHBondContact O-CG 3.29Å; A17-M21 PolarHBondContact O-N 2.81Å; A17-M21 VanDerWaalsContact O-N 3.13Å; A18-M21 PolarHBondContact O-N 3.25Å; K19-M21 VanDerWaalsContact C-N 3.28Å; K19-M21 PolarHBondContact O-N 3.44Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 3.19Å; M21-S24 WeakPolarHBondContact O-CB 3.09Å; M21-S24 PolarHBondContact O-N 2.92Å; M21-S24 PolarHBondContact O-OG 3.49Å; M21-F30 HydrophobicContact CE-CE1 3.77Å; M21-F30 HydrophobicContact CE-CZ 4.45Å; M21-F30 HydrophobicContact CG-CE1 4.1Å; M21-F30 HydrophobicContact CG-CZ 4.44Å; M21-F30 HydrophobicContact SD-CE1 4.11Å; M21-F30 HydrophobicContact SD-CZ 4.31Å
22S89.4Confident88.2Confident104 Ų10484.8 Ų84.873%0.72747%0.465SS*.Hα-helixtrans-69.2-29.6179.5-62.70000113.3A18 K19 S24A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 2.76Å; A18-S22 PolarHBondContact O-OG 3.42Å; A18-S22 VanDerWaalsContact O-OG 3.07Å; K19-S22 PolarHBondContact O-N 2.9Å; S22-S24 VanDerWaalsContact C-N 3.31Å
23Q89Confident88.2Confident133 Ų13384.7 Ų84.762%0.62147%0.47SS*.Hα-helixtrans-79-16.7174.9-73.3-179.7-28.400112.8K19 M21K19-Q23 HydrophobicContact CG-CG 4.37Å; K19-Q23 WeakPolarHBondContact O-CB 3.32Å; K19-Q23 VanDerWaalsContact O-CG 3.29Å; K19-Q23 WeakPolarHBondContact O-CG 3.23Å; K19-Q23 PolarHBondContact O-N 3.2Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 3.19Å
24S85.8Confident88Confident23 Ų2388.1 Ų88.116%0.16148%0.478CS..SBendtrans-72.4147.617770.60000111.2N5 L20 M21 S22 V28N5-S24 WeakPolarHBondContact ND2-CB 3.46Å; L20-S24 PolarHBondContact O-N 3.13Å; M21-S24 WeakPolarHBondContact O-CB 3.09Å; M21-S24 PolarHBondContact O-N 2.92Å; M21-S24 PolarHBondContact O-OG 3.49Å; S22-S24 VanDerWaalsContact C-N 3.31Å; S24-V28 WeakPolarHBondContact OG-CG2 3.28Å
25G85.8Confident87.6Confident51 Ų5182 Ų8253%0.52646%0.458SS..  trans-71.8-154.6-179.700000112.6V27G25-V27 PolarHBondContact O-N 3.32Å
26P87.9Confident87.3Confident144 Ų14477.1 Ų77.194%0.93544%0.441SS*.SBendtrans-58.7-20.2179.9-24.434000114.8
27V85.9Confident87.1Confident104 Ų10471.3 Ų71.363%0.6342%0.418SS*.  trans-120.6130.9-177.4-177.20000109.3G25G25-V27 PolarHBondContact O-N 3.32Å
28V89Confident86.8Confident47 Ų4774.2 Ų74.229%0.28543%0.432SS..  trans-120.5121.8176.3-162.10000108.9V4 S24 F30V4-V28 HydrophobicContact CG1-CG1 3.54Å; S24-V28 WeakPolarHBondContact OG-CG2 3.28Å; V28-F30 HydrophobicContact CB-CE1 4.35Å; V28-F30 HydrophobicContact CB-CE2 3.87Å; V28-F30 HydrophobicContact CB-CZ 3.75Å; V28-F30 HydrophobicContact CG1-CD1 4.18Å; V28-F30 HydrophobicContact CG1-CE1 3.46Å; V28-F30 VanDerWaalsContact CG1-CE1 3.46Å; V28-F30 HydrophobicContact CG1-CE2 3.9Å; V28-F30 HydrophobicContact CG1-CZ 3.32Å
29N89.2Confident86.4Confident105 Ų10582.2 Ų82.256%0.56145%0.454SS*.  trans-92.7124.3177.9-64.2-34.6000109.3V4 N5V4-N29 CarbonylContact C-O 3.52Å; V4-N29 WeakPolarHBondContact CA-O 3.44Å; N5-N29 PolarHBondContact N-O 2.91Å; N5-N29 PolarHBondContact OD1-N 3Å
30F88.4Confident86Confident97 Ų9782.3 Ų82.343%0.42546%0.46SS..EExtended strand (participates in β ladder)trans-114.7130.4179.8-64.3-60.8000110.9M1 V4 M21 V28 V32M1-F30 HydrophobicContact CE-CB 3.77Å; M1-F30 HydrophobicContact CE-CD1 3.07Å; M1-F30 HydrophobicContact CE-CD2 3.92Å; M1-F30 HydrophobicContact CE-CE1 3.48Å; M1-F30 VanDerWaalsContact CE-CE1 3.48Å; M1-F30 HydrophobicContact CE-CE2 4.25Å; M1-F30 HydrophobicContact CE-CG 3.3Å; M1-F30 HydrophobicContact CE-CZ 4.04Å; M1-F30 HydrophobicContact SD-CD1 4.16Å; M1-F30 HydrophobicContact SD-CE1 4.34Å; V4-F30 HydrophobicContact CB-CD1 4.41Å; V4-F30 HydrophobicContact CB-CE1 4.43Å; V4-F30 HydrophobicContact CG1-CD1 4.18Å; V4-F30 HydrophobicContact CG1-CE1 3.87Å; V4-F30 HydrophobicContact CG2-CD1 3.89Å; V4-F30 HydrophobicContact CG2-CE1 3.85Å; M21-F30 HydrophobicContact CE-CE1 3.77Å; M21-F30 HydrophobicContact CE-CZ 4.45Å; M21-F30 HydrophobicContact CG-CE1 4.1Å; M21-F30 HydrophobicContact CG-CZ 4.44Å; M21-F30 HydrophobicContact SD-CE1 4.11Å; M21-F30 HydrophobicContact SD-CZ 4.31Å; V28-F30 HydrophobicContact CB-CE1 4.35Å; V28-F30 HydrophobicContact CB-CE2 3.87Å; V28-F30 HydrophobicContact CB-CZ 3.75Å; V28-F30 HydrophobicContact CG1-CD1 4.18Å; V28-F30 HydrophobicContact CG1-CE1 3.46Å; V28-F30 VanDerWaalsContact CG1-CE1 3.46Å; V28-F30 HydrophobicContact CG1-CE2 3.9Å; V28-F30 HydrophobicContact CG1-CZ 3.32Å; F30-V32 HydrophobicContact CB-CG2 4.34Å
31E88.5Confident85.7Confident116 Ų11683.1 Ų83.154%0.54248%0.475SS..EExtended strand (participates in β ladder)trans-98.3127165.5-163.9179.6160.100108.7V2 A3V2-E31 HydrophobicContact CB-CB 4.45Å; V2-E31 HydrophobicContact CB-CG 4.39Å; V2-E31 PolarHBondContact N-O 2.85Å; A3-E31 HydrophobicContact CB-CB 3.85Å; A3-E31 PolarHBondContact N-O 3.05Å; A3-E31 PolarHBondContact O-N 3.43Å
32V84.9Confident85.3Confident42 Ų4284 Ų8426%0.25548%0.48SS..  trans-134.7132.4-178.6-173.60000108.1M1 F30 K34 A36 A37M1-V32 HydrophobicContact CG-CG2 4.31Å; F30-V32 HydrophobicContact CB-CG2 4.34Å; V32-K34 PolarHBondContact O-N 2.77Å; V32-A36 HydrophobicContact CG1-CB 4.05Å; V32-A37 HydrophobicContact CG1-CB 4.2Å
33A85.7Confident84.7Confident48 Ų4879.1 Ų79.140%0.39745%0.446SS..  trans-58.2135.417400000110.2V2 G35 A36 A37V2-A33 HydrophobicContact CG2-CB 4.06Å; A33-G35 VanDerWaalsContact C-N 3.25Å; A33-G35 PolarHBondContact O-N 3.48Å; A33-A36 HydrophobicContact CB-CB 4.17Å; A33-A36 WeakPolarHBondContact O-CA 3.42Å; A33-A36 WeakPolarHBondContact O-CB 3.46Å; A33-A36 PolarHBondContact O-N 2.92Å; A33-A37 PolarHBondContact O-N 3.36Å
34K83.8Confident84Confident152 Ų15279.3 Ų79.366%0.66145%0.447SS*.Hα-helixtrans-52.7-43.7-177.6-67-177179.8176.90112.4V32 A37 L38 L48V32-K34 PolarHBondContact O-N 2.77Å; K34-A37 PolarHBondContact O-N 3.42Å; K34-L38 WeakPolarHBondContact O-CG 3.24Å; K34-L38 PolarHBondContact O-N 3.15Å; K34-L48 HydrophobicContact CB-CD1 4.09Å; K34-L48 HydrophobicContact CD-CD2 4.14Å; K34-L48 HydrophobicContact CG-CD1 4.11Å; K34-L48 HydrophobicContact CG-CD2 4.03Å
35G82.3Confident83.4Confident33 Ų3383.1 Ų83.134%0.3447%0.473SS..Hα-helixtrans-59.5-46.517500000112.1A33 A37 L38 Y39A33-G35 VanDerWaalsContact C-N 3.25Å; A33-G35 PolarHBondContact O-N 3.48Å; G35-A37 VanDerWaalsContact C-N 3.33Å; G35-A37 PolarHBondContact O-N 3.38Å; G35-L38 WeakPolarHBondContact O-CB 3.49Å; G35-L38 PolarHBondContact O-N 3.44Å; G35-L38 VanDerWaalsContact O-N 3.16Å; G35-Y39 WeakPolarHBondContact O-CD2 3.44Å; G35-Y39 PolarHBondContact O-N 3.04Å
36A82.7Confident82.7Confident32 Ų3284.5 Ų84.526%0.26447%0.472SS..Hα-helixtrans-63.4-38.4177.100000112V32 A33 L38 Y39 N40V32-A36 HydrophobicContact CG1-CB 4.05Å; A33-A36 HydrophobicContact CB-CB 4.17Å; A33-A36 WeakPolarHBondContact O-CA 3.42Å; A33-A36 WeakPolarHBondContact O-CB 3.46Å; A33-A36 PolarHBondContact O-N 2.92Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-Y39 PolarHBondContact O-N 2.82Å; A36-N40 WeakPolarHBondContact O-CB 3.42Å; A36-N40 PolarHBondContact O-N 3.17Å; A36-N40 PolarHBondContact O-ND2 2.83Å
37A85.1Confident81.9Confident2 Ų280.9 Ų80.92%0.01746%0.461CS..Hα-helixtrans-64.5-39.2174.300000111.9V32 A33 K34 G35 G41 L42 A43 V46 L48V32-A37 HydrophobicContact CG1-CB 4.2Å; A33-A37 PolarHBondContact O-N 3.36Å; K34-A37 PolarHBondContact O-N 3.42Å; G35-A37 VanDerWaalsContact C-N 3.33Å; G35-A37 PolarHBondContact O-N 3.38Å; A37-G41 PolarHBondContact O-N 3.06Å; A37-L42 HydrophobicContact CB-CB 4.32Å; A37-L42 CarbonylContact O-C 3.56Å; A37-L42 WeakPolarHBondContact O-CA 3.31Å; A37-L42 PolarHBondContact O-N 3.42Å; A37-A43 PolarHBondContact O-N 3.2Å; A37-V46 HydrophobicContact CB-CG2 4.01Å; A37-L48 HydrophobicContact CB-CD1 3.84Å
38L82Confident80.9Confident76 Ų7678.2 Ų78.240%0.39844%0.443SS..Hα-helixtrans-64.6-50.3174-74.5161.8000112K34 G35 A36 N40 G41 A43K34-L38 WeakPolarHBondContact O-CG 3.24Å; K34-L38 PolarHBondContact O-N 3.15Å; G35-L38 WeakPolarHBondContact O-CB 3.49Å; G35-L38 PolarHBondContact O-N 3.44Å; G35-L38 VanDerWaalsContact O-N 3.16Å; A36-L38 VanDerWaalsContact C-N 3.34Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 2.98Å; L38-G41 PolarHBondContact O-N 3Å; L38-G41 VanDerWaalsContact O-N 3.12Å; L38-A43 HydrophobicContact CD2-CB 3.49Å; L38-A43 VanDerWaalsContact CD2-CB 3.49Å; L38-A43 HydrophobicContact CG-CB 4.02Å
39Y81.9Confident79.6Confident211 Ų21185 Ų8583%0.82747%0.471SS*.Hα-helixtrans-63.9-34.7-179.2-78.3-67.4000113.2G35 A36 G41G35-Y39 WeakPolarHBondContact O-CD2 3.44Å; G35-Y39 PolarHBondContact O-N 3.04Å; A36-Y39 PolarHBondContact O-N 2.82Å; Y39-G41 VanDerWaalsContact C-N 3.29Å; Y39-G41 PolarHBondContact O-N 2.93Å
40N82.2Confident78.1Confident118 Ų11883.3 Ų83.363%0.63146%0.46SS*.THydrogen-bonded Turntrans-87.56.5177.8-68.1-74.1000113.2A36 L38 L42A36-N40 WeakPolarHBondContact O-CB 3.42Å; A36-N40 PolarHBondContact O-N 3.17Å; A36-N40 PolarHBondContact O-ND2 2.83Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 2.98Å; N40-L42 HydrophobicContact CB-CD1 4.3Å; N40-L42 HydrophobicContact CB-CG 4.2Å; N40-L42 PolarHBondContact O-N 2.93Å
41G81.8Confident76.6Confident44 Ų4483.4 Ų83.445%0.45447%0.47SS..THydrogen-bonded Turntrans70.17.3179.700000115A37 L38 Y39 A43A37-G41 PolarHBondContact O-N 3.06Å; L38-G41 PolarHBondContact O-N 3Å; L38-G41 VanDerWaalsContact O-N 3.12Å; Y39-G41 VanDerWaalsContact C-N 3.29Å; Y39-G41 PolarHBondContact O-N 2.93Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.28Å
42L79.7Confident74.9Confident81 Ų8182.5 Ų82.542%0.42448%0.482SS..G310 helixtrans-77.1-11.3178.8-61.9177000112.9A37 N40 H44 S45 V46A37-L42 HydrophobicContact CB-CB 4.32Å; A37-L42 CarbonylContact O-C 3.56Å; A37-L42 WeakPolarHBondContact O-CA 3.31Å; A37-L42 PolarHBondContact O-N 3.42Å; N40-L42 HydrophobicContact CB-CD1 4.3Å; N40-L42 HydrophobicContact CB-CG 4.2Å; N40-L42 PolarHBondContact O-N 2.93Å; L42-H44 PolarHBondContact O-N 2.76Å; L42-H44 VanDerWaalsContact O-N 3.15Å; L42-S45 WeakPolarHBondContact O-CA 3.42Å; L42-S45 WeakPolarHBondContact O-CB 3.16Å; L42-S45 PolarHBondContact O-N 2.85Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 3.39Å
43A77Confident73Confident2 Ų290.2 Ų90.22%0.01751%0.507CS..G310 helixtrans-52.5-37.7-17800000113.9A37 L38 G41 G47 L48A37-A43 PolarHBondContact O-N 3.2Å; L38-A43 HydrophobicContact CD2-CB 3.49Å; L38-A43 VanDerWaalsContact CD2-CB 3.49Å; L38-A43 HydrophobicContact CG-CB 4.02Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.28Å; A43-G47 PolarHBondContact O-N 3.46Å; A43-L48 HydrophobicContact CB-CB 4.06Å; A43-L48 PolarHBondContact O-N 2.99Å
44H74.8Confident70.9Confident138 Ų13892.1 Ų92.164%0.63952%0.523SS*.G310 helixtrans-64.5-41.3174.7-57.199000112.4L42 V46 Q50L42-H44 PolarHBondContact O-N 2.76Å; L42-H44 VanDerWaalsContact O-N 3.15Å; H44-V46 VanDerWaalsContact C-N 3.34Å; H44-Q50 PolarHBondContact CD2-NE2 3.21Å; H44-Q50 PolarHBondContact CE1-NE2 2.85Å; H44-Q50 PolarHBondContact ND1-NE2 2.82Å; H44-Q50 PolarHBondContact NE2-NE2 3.46Å
45S72.2Confident68.9Low102 Ų10290.3 Ų90.371%0.71354%0.536SS*.THydrogen-bonded Turntrans-72-29.7-178-50.90000112.3L42L42-S45 WeakPolarHBondContact O-CA 3.42Å; L42-S45 WeakPolarHBondContact O-CB 3.16Å; L42-S45 PolarHBondContact O-N 2.85Å
46V71Confident66.7Low81 Ų8191 Ų9149%0.49154%0.543SS..THydrogen-bonded Turntrans-96.311.9179.7-62.60000113.7A37 L42 H44 L48A37-V46 HydrophobicContact CB-CG2 4.01Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 3.39Å; H44-V46 VanDerWaalsContact C-N 3.34Å; V46-L48 HydrophobicContact CG2-CB 4.18Å; V46-L48 HydrophobicContact CG2-CD1 3.58Å; V46-L48 HydrophobicContact CG2-CG 3.6Å; V46-L48 PolarHBondContact O-N 3.42Å; V46-L48 VanDerWaalsContact O-N 3.13Å
47G71.8Confident64.9Low68 Ų6896.2 Ų96.270%0.70157%0.572SS**THydrogen-bonded Turntrans65.214.9178.200000114.5A43 Q49A43-G47 PolarHBondContact O-N 3.46Å; G47-Q49 PolarHBondContact O-N 3.18Å; G47-Q49 VanDerWaalsContact O-N 3.07Å
48L65.2Low62.8Low48 Ų48100 Ų10025%0.25160%0.598SS.*  trans-72.7105.6173.2-68.4175.3000107.4K34 A37 A43 V46 Q50K34-L48 HydrophobicContact CB-CD1 4.09Å; K34-L48 HydrophobicContact CD-CD2 4.14Å; K34-L48 HydrophobicContact CG-CD1 4.11Å; K34-L48 HydrophobicContact CG-CD2 4.03Å; A37-L48 HydrophobicContact CB-CD1 3.84Å; A43-L48 HydrophobicContact CB-CB 4.06Å; A43-L48 PolarHBondContact O-N 2.99Å; V46-L48 HydrophobicContact CG2-CB 4.18Å; V46-L48 HydrophobicContact CG2-CD1 3.58Å; V46-L48 HydrophobicContact CG2-CG 3.6Å; V46-L48 PolarHBondContact O-N 3.42Å; V46-L48 VanDerWaalsContact O-N 3.13Å; L48-Q50 PolarHBondContact O-N 3.02Å
49Q61.8Low61.1Low188 Ų188102.2 Ų102.288%0.87962%0.615SS**  trans-53114.6171.6-174.5157.356.800108G47G47-Q49 PolarHBondContact O-N 3.18Å; G47-Q49 VanDerWaalsContact O-N 3.07Å
50Q56.4Low59.6Low71 Ų7197.6 Ų97.633%0.33260%0.601SS.*  trans-57.1136.7173-69.7-179.23.500107.6H44 L48 A52H44-Q50 PolarHBondContact CD2-NE2 3.21Å; H44-Q50 PolarHBondContact CE1-NE2 2.85Å; H44-Q50 PolarHBondContact ND1-NE2 2.82Å; H44-Q50 PolarHBondContact NE2-NE2 3.46Å; L48-Q50 PolarHBondContact O-N 3.02Å; Q50-A52 PolarHBondContact O-N 3.08Å
51P57.2Low57.9Low99 Ų99102.7 Ų102.764%0.64361%0.611SS**  trans-52.9125.4166.923.2-30.6000106.5R53P51-R53 PolarHBondContact O-N 3.33Å
52A52.9Low56.1Low96 Ų96111.2 Ų111.279%0.79363%0.631SS**  trans-46115.3179.400000106.9Q50 A54Q50-A52 PolarHBondContact O-N 3.08Å; A52-A54 VanDerWaalsContact C-N 3.32Å; A52-A54 PolarHBondContact O-N 3.05Å
53R45.1Very low54.4Low205 Ų205110.2 Ų110.277%0.77463%0.631SS**  trans-55.4103-179.7-82.3178.4161.2-177.1-5.4106.8P51 A55P51-R53 PolarHBondContact O-N 3.33Å; R53-A55 PolarHBondContact O-N 3.41Å
54A43Very low53.2Low88 Ų88115 Ų11573%0.72766%0.66SS**  trans-53.2114157.900000104.7A52 G56A52-A54 VanDerWaalsContact C-N 3.32Å; A52-A54 PolarHBondContact O-N 3.05Å; A54-G56 PolarHBondContact O-N 2.9Å
55A40Very low52.1Low114 Ų114111 Ų11194%0.94265%0.648SS**SBendtrans-6390.2176.800000107.6R53R53-A55 PolarHBondContact O-N 3.41Å
56G36.3Very low51Low48 Ų48109.8 Ų109.850%0.49563%0.633SS.*  trans156.8128.9-176.800000110.5A54A54-G56 PolarHBondContact O-N 2.9Å
57T45Very low50.2Low140 Ų140111.2 Ų111.286%0.85964%0.637SS**SBendtrans80.180.1179.7780000115T59T57-T59 PolarHBondContact O-N 3.06Å; T57-T59 VanDerWaalsContact O-N 3.15Å
58S41.3Very low48.9Very low81 Ų81115.8 Ų115.857%0.56663%0.634SS**  trans11.293.2137.4-168.70000115.4H60S58-H60 PolarHBondContact O-N 3.01Å; S58-H60 PolarHBondContact OG-CD2 3.08Å; S58-H60 VanDerWaalsContact OG-CD2 3.23Å; S58-H60 PolarHBondContact OG-CE1 3.2Å; S58-H60 PolarHBondContact OG-NE2 3.04Å; S58-H60 VanDerWaalsContact OG-NE2 3.14Å
59T47.3Very low48.2Very low124 Ų124118.9 Ų118.976%0.76165%0.647SS**  trans-6990.9153.7-39.10000105.6T57 R61T57-T59 PolarHBondContact O-N 3.06Å; T57-T59 VanDerWaalsContact O-N 3.15Å; T59-R61 PolarHBondContact O-N 2.76Å
60H49.7Very low47.6Very low113 Ų113116 Ų11652%0.52364%0.638SS.*  trans-56.789.8171.6-76.6-86.7000108.1S58 Y62 D66S58-H60 PolarHBondContact O-N 3.01Å; S58-H60 PolarHBondContact OG-CD2 3.08Å; S58-H60 VanDerWaalsContact OG-CD2 3.23Å; S58-H60 PolarHBondContact OG-CE1 3.2Å; S58-H60 PolarHBondContact OG-NE2 3.04Å; S58-H60 VanDerWaalsContact OG-NE2 3.14Å; H60-Y62 PolarHBondContact O-N 2.89Å; H60-Y62 VanDerWaalsContact O-N 3.16Å; H60-D66 IonicContact CE1-OD2 2.89Å; H60-D66 PolarHBondContact CE1-OD2 2.85Å; H60-D66 IonicContact ND1-OD2 3.42Å; H60-D66 PolarHBondContact ND1-OD2 3.5Å
61R46.1Very low47.5Very low225 Ų225116.1 Ų116.185%0.84964%0.643SS**  trans-48.7117.6138-79.5-175.2161178.6-5.3104.1T59 S63T59-R61 PolarHBondContact O-N 2.76Å; R61-S63 PolarHBondContact O-N 2.99Å
62Y44.5Very low47.3Very low224 Ų224117 Ų11788%0.87864%0.638SS**  trans-57.280.6170.6-66.9-84.8000108.2H60H60-Y62 PolarHBondContact O-N 2.89Å; H60-Y62 VanDerWaalsContact O-N 3.16Å
63S44.1Very low47.1Very low60 Ų60119 Ų11942%0.4264%0.636SS.*  trans-73.7126165.6-167.70000104.2R61 S65 D66R61-S63 PolarHBondContact O-N 2.99Å; S63-S65 PolarHBondContact O-N 2.91Å; S63-S65 PolarHBondContact OG-OG 3.39Å; S63-D66 PolarHBondContact O-N 3Å; S63-D66 VanDerWaalsContact O-N 3.09Å
64T51.2Low47.1Very low101 Ų101115.6 Ų115.662%0.6263%0.633SS**THydrogen-bonded Turntrans-56.7-6.5179.383.10000112.6Y68T64-Y68 WeakPolarHBondContact O-CD2 3.22Å
65S51.8Low47.3Very low55 Ų55119.1 Ų119.139%0.38563%0.628SS.*THydrogen-bonded Turntrans-67.9-35.1175.2-38.40000113.7S63 I67 Y68 H69S63-S65 PolarHBondContact O-N 2.91Å; S63-S65 PolarHBondContact OG-OG 3.39Å; S65-I67 VanDerWaalsContact C-N 3.28Å; S65-I67 PolarHBondContact O-N 3.49Å; S65-Y68 PolarHBondContact O-N 3.12Å; S65-H69 PolarHBondContact O-CD2 3.29Å
66D49.7Very low47.4Very low76 Ų76122.3 Ų122.341%0.40662%0.623SS.*Hα-helixtrans-79-16.6-177.2-64.4-23.1000112.4H60 S63 Y68H60-D66 IonicContact CE1-OD2 2.89Å; H60-D66 PolarHBondContact CE1-OD2 2.85Å; H60-D66 IonicContact ND1-OD2 3.42Å; H60-D66 PolarHBondContact ND1-OD2 3.5Å; S63-D66 PolarHBondContact O-N 3Å; S63-D66 VanDerWaalsContact O-N 3.09Å; D66-Y68 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.16Å
67I53.4Low47.7Very low111 Ų111126.1 Ų126.157%0.56964%0.636SS**Hα-helixtrans-70.8-25.2177.2-58.8175.9000111.4S65 V71S65-I67 VanDerWaalsContact C-N 3.28Å; S65-I67 PolarHBondContact O-N 3.49Å; I67-V71 WeakPolarHBondContact O-CG2 3.16Å
68Y44.2Very low47.3Very low164 Ų164125.5 Ų125.564%0.64363%0.632SS**Hα-helixtrans-95.5-24.2-179.7-71.4-81.6000113.8T64 S65 D66T64-Y68 WeakPolarHBondContact O-CD2 3.22Å; S65-Y68 PolarHBondContact O-N 3.12Å; D66-Y68 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.16Å
69H51.6Low47Very low113 Ų113130.4 Ų130.452%0.52365%0.646SS.*Hα-helixtrans-79.9-24.7-177.1-68-48.5000113.7S65S65-H69 PolarHBondContact O-CD2 3.29Å
70N49.3Very low46.4Very low129 Ų129131.1 Ų131.169%0.6965%0.65SS**Hα-helixtrans-87.2-9.5175.3-122.6-2.8000114.3
71V54.1Low46Very low72 Ų72132.3 Ų132.344%0.43667%0.665SS.*Hα-helixtrans-89.2-19174.4-179.90000111.7I67 R75I67-V71 WeakPolarHBondContact O-CG2 3.16Å; V71-R75 WeakPolarHBondContact O-CD 3.45Å; V71-R75 WeakPolarHBondContact O-CG 3.4Å
72Q53.4Low45.6Very low117 Ų117130.6 Ų130.655%0.54766%0.664SS.*Hα-helixtrans-90.8-29.6176.9-82.5168.5-36.600113.4N74Q72-N74 VanDerWaalsContact C-N 3.33Å
73N48.4Very low45.6Very low138 Ų138128.5 Ų128.574%0.73866%0.662SS**THydrogen-bonded Turntrans-82.9-7.1178-75.2-20.7000114.4
74N45Very low45.4Very low135 Ų135131.3 Ų131.372%0.72268%0.679SS**THydrogen-bonded Turntrans-104.415.3173.1-127.9-2.2000113.2Q72Q72-N74 VanDerWaalsContact C-N 3.33Å
75R47.8Very low45.6Very low161 Ų161132.3 Ų132.361%0.60869%0.687SS**  trans-99.314.1177.5-80.8179.9174.3146.2-0.1114V71V71-R75 WeakPolarHBondContact O-CD 3.45Å; V71-R75 WeakPolarHBondContact O-CG 3.4Å
76H41.4Very low45.5Very low182 Ų182134.3 Ų134.384%0.84370%0.698SS**SBendtrans-116.845.5175.5-77.17000112.2
77V42.4Very low44.8Very low128 Ų128134.9 Ų134.978%0.77671%0.714SS**SBendtrans-140.254158.8-165.50000108.5
78V36.3Very low44.4Very low126 Ų126138.4 Ų138.476%0.76473%0.725SS**  trans-141.180.3170.3-173.50000107.9
79Q34.8Very low44Very low185 Ų185140.3 Ų140.386%0.86473%0.733SS**  trans-174.892.4160.4-105.4166.536.500107
80T35.1Very low43.5Very low139 Ų139142.2 Ų142.285%0.85375%0.747SS**  trans177.1138.1134.249.40000109.5
81V41Very low42.9Very low137 Ų137145.6 Ų145.683%0.8375%0.75SS**  trans89.691.4160.9-148.30000118.1
82K38.8Very low42Very low190 Ų190148.3 Ų148.383%0.82676%0.759SS**  trans-20.3136.9142.5-94.2176168.7178.60115.8
83Q43.9Very low41.6Very low180 Ų180151.5 Ų151.584%0.84177%0.768SS**  trans106.6131.2154-64.6178.51100117.4
84P39.9Very low41.1Very low119 Ų119150.1 Ų150.177%0.77377%0.769SS**PPolyproline II helixtrans-87.6137.2171.235.2-28.4000110
85P56.3Low40.7Very low121 Ų121148.5 Ų148.579%0.78677%0.774SS**PPolyproline II helixtrans-80.6143.8170.830.9-28.7000110.6
86P48.4Very low40.3Very low97 Ų97144.5 Ų144.563%0.6378%0.783SS**PPolyproline II helixtrans-79.7147.8-169.832.1-33.8000112.4F88P86-F88 HydrophobicContact CB-CD2 3.9Å; P86-F88 HydrophobicContact CB-CE2 3.91Å; P86-F88 HydrophobicContact CG-CD2 3.81Å; P86-F88 HydrophobicContact CG-CE2 3.93Å; P86-F88 PolarHBondContact O-N 2.93Å
87A36.1Very low40.6Very low88 Ų88142.1 Ų142.173%0.72779%0.787SS**PPolyproline II helixtrans-64117162.700000109.5
88F43.8Very low40.4Very low185 Ų185139.4 Ų139.481%0.81179%0.785SS**  trans-130.3120.4166.3-90.4-84.1000111P86P86-F88 HydrophobicContact CB-CD2 3.9Å; P86-F88 HydrophobicContact CB-CE2 3.91Å; P86-F88 HydrophobicContact CG-CD2 3.81Å; P86-F88 HydrophobicContact CG-CE2 3.93Å; P86-F88 PolarHBondContact O-N 2.93Å
89Y36.3Very low40.5Very low204 Ų204136.9 Ų136.980%0.879%0.785SS**  trans-71.6135.9167.3-58.8-100000109.5
90N41.7Very low41.1Very low153 Ų153140 Ų14082%0.81879%0.788SS**  trans169105.7144.7-86.5-22.6000107
91R35.9Very low41.6Very low201 Ų201138.1 Ų138.176%0.75878%0.781SS**  62.3104.275.6-163.6-167.9-89.3-128.5-7.7111.8
92M36.3Very low41.5Very low128 Ų128135.6 Ų135.663%0.63178%0.782SS**  156.7112.3122-82.3-158173.100112.8
93Y44Very low41.9Very low185 Ų185137 Ų13773%0.72578%0.783SS**  trans51.2145.3145.1-36.7-62.7000120.2
94S38.3Very low41.9Very low109 Ų109134.1 Ų134.176%0.76278%0.782SS**  cis-164.5145.310.5-160.80000110
95A36.9Very low42.2Very low100 Ų100136.9 Ų136.983%0.82679%0.787SS**  trans38.7120143.600000121
96G38.6Very low41.4Very low78 Ų78136.2 Ų136.280%0.80479%0.785SS**  trans170.275.3160.500000115.2
97S48.7Very low41.3Very low131 Ų131136.5 Ų136.592%0.91680%0.796SS**  trans16.9125.2148-167.70000119.7
98G38.2Very low41.7Very low72 Ų72138.2 Ų138.274%0.74280%0.803SS**  trans117.787.8135.300000117.4
99G38.8Very low41.8Very low73 Ų73134.6 Ų134.675%0.75380%0.8SS**  74.6122.7120.900000120.2
100R46.9Very low42.3Very low249 Ų249133 Ų13394%0.9481%0.805SS**  trans108.3103.4138.1-62.5-176.8165.6-141.5-3.5117.9
101S45Very low42.4Very low101 Ų101133.6 Ų133.671%0.70681%0.807SS**  74.287.9125.7-145.30000117.6R103S101-R103 PolarHBondContact O-N 3.41Å
102G38.6Very low42.6Very low83 Ų83132.6 Ų132.686%0.85681%0.81SS**  trans-73.7112.2148.300000109.7
103R46.8Very low42.8Very low221 Ų221134.5 Ų134.583%0.83482%0.823SS**  trans-125.2103.1159.4-82.4-172.8161.7-167.3-4.6108.7S101 M105S101-R103 PolarHBondContact O-N 3.41Å; R103-M105 PolarHBondContact O-N 3.27Å
104S43.8Very low42.8Very low119 Ų119130 Ų13083%0.83282%0.824SS**PPolyproline II helixtrans-57.9124.3169.3-168.60000109.7
105M46.1Very low43.1Very low176 Ų176136.1 Ų136.187%0.86783%0.832SS**PPolyproline II helixtrans-93.7117.3179.5-51.7-158.482.500109.2R103R103-M105 PolarHBondContact O-N 3.27Å
106S41.1Very low43.5Very low107 Ų107139.9 Ų139.975%0.74884%0.835SS**PPolyproline II helixtrans-96.5133168.5-62.70000109.5S108S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.1Å
107A45.4Very low43.7Very low104 Ų104144.2 Ų144.286%0.8684%0.84SS**SBendtrans-68.395.6-170.200000112.9
108S44.6Very low43.4Very low124 Ų124140.9 Ų140.987%0.86783%0.826SS**  trans-158.422.7167.8-79.50000115.5S106S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.1Å
109S45.2Very low43.7Very low108 Ų108143.1 Ų143.176%0.75583%0.83SS**  trans-138.450-178.157.30000114.1
110L48.5Very low43.8Very low172 Ų172148.6 Ų148.690%0.90184%0.836SS**  trans-125.556.3174.4-90.3162.2000110.2
111L43.3Very low44.1Very low165 Ų165141.7 Ų141.786%0.86482%0.824SS**SBendtrans-164.458.1172.4-105.5-178.7000113
112H39.1Very low43.9Very low179 Ų179144.1 Ų144.183%0.82983%0.828SS**  trans173.7110.5150.4-113.859.2000108.6
113D41.9Very low44.3Very low168 Ų168148.4 Ų148.490%0.89883%0.827SS**  trans-161.7140139.3-105.7-29.5000112
114A42.6Very low44.1Very low90 Ų90148.3 Ų148.374%0.74483%0.827SS**  trans72.175.2163.700000118.2
115Y44.6Very low44.3Very low238 Ų238152.4 Ų152.493%0.93382%0.824SS**  trans-60.4143.2142.9-112.4-107.1000110.6
116M45.7Very low44.1Very low180 Ų180150.9 Ų150.989%0.88782%0.815SS**  trans-76.1122.3179.1-63.6-82.8176.400111.5
117D42.4Very low44.6Very low168 Ų168150.7 Ų150.790%0.89882%0.82SS**  trans-170.7121.1158.8-145.92000106.4
118G43.1Very low44.6Very low61 Ų61149.2 Ų149.263%0.62982%0.815SS**  cis111.377.349.800000109.1
119S44.6Very low44.7Very low120 Ų120151.2 Ų151.284%0.83982%0.816SS**  trans-170123.4160.24.80000114
120H40.5Very low45Very low187 Ų187152 Ų15287%0.86682%0.818SS**  trans-65-166.9175.9-59.9-96000114.6
121P52.4Low44.9Very low105 Ų105149.1 Ų149.168%0.68281%0.813SS**  cis-133.6175.9-21.216.39000113.3
122L40.7Very low45.3Very low151 Ų151147.4 Ų147.479%0.79181%0.809SS**  168.1113.3119.7-86.9170.3000112.8
123M48.8Very low45.5Very low173 Ų173144.4 Ų144.485%0.85281%0.808SS**  trans53.4120.7140.1-63-76.7146.600119.8
124R42.1Very low45.8Very low220 Ų220142.2 Ų142.283%0.8380%0.803SS**  166.8112.3103.4-174.5165.6-161-173.85113.2
125R47.6Very low45.6Very low205 Ų205142.7 Ų142.777%0.77481%0.807SS**  trans50.4141.3131.1-82.3-172-176.4-145.39.9119.6
126E42.3Very low45.6Very low144 Ų144138 Ų13867%0.67380%0.803SS**  cis-158.6162.39.4-62.9-151.1158.400110.6
127A50.3Low45.3Very low103 Ų103133.5 Ų133.585%0.85179%0.794SS**  trans66.2117.9144.900000121.7
128G46.3Very low45.1Very low73 Ų73132 Ų13275%0.75379%0.791SS**  trans161.677.5155.800000115.6
129D46.1Very low45Very low165 Ų165133.1 Ų133.188%0.88280%0.795SS**  trans65.2120.3156.4-64-22.9000123.1
130P53.2Low44.8Very low125 Ų125132.6 Ų132.681%0.81279%0.791SS**  trans-115.4139.4161.836.4-23.3000112.5
131S44.6Very low45Very low112 Ų112128.6 Ų128.678%0.78378%0.784SS**  trans-153.9131.9157.484.50000114
132V51.5Low44.6Very low128 Ų128130 Ų13078%0.77679%0.786SS**  trans69.788.7156.9-153.50000117.2
133S43.8Very low44.9Very low116 Ų116127.3 Ų127.381%0.81178%0.776SS**  60.3141.478.4-65.80000118.5
134P47.8Very low44.7Very low123 Ų123129 Ų12980%0.79977%0.774SS**  trans-118.7160.4-149.338.2-22.3000115.5
135A40Very low44.9Very low99 Ų99125.1 Ų125.182%0.81877%0.769SS**  trans-167.2129159.200000115.2
136V42.9Very low44.7Very low141 Ų141124.5 Ų124.586%0.85577%0.766SS**  trans-0.9132.5147.2-178.50000120.5
137A39.9Very low44.8Very low85 Ų85124.2 Ų124.270%0.70277%0.765SS**  trans164112.5131.700000109.8
138T37.8Very low44.7Very low136 Ų136128.8 Ų128.883%0.83476%0.76SS**  48.2118.298.9-22.80000115.4
139A41.3Very low44.5Very low85 Ų85132.1 Ų132.170%0.70276%0.756SS**  trans146.5112.113600000113.6
140S41.5Very low44.8Very low109 Ų109128.7 Ų128.776%0.76274%0.741SS**  52154.6128.657.50000123.8
141S44.9Very low44.3Very low102 Ų102131.1 Ų131.171%0.71374%0.742SS**  trans91.8136.6161.679.20000115.3
142D43.1Very low44.6Very low135 Ų135131.6 Ų131.672%0.72273%0.733SS**  cis-177.2149.6-8.3-115-39.2000107.5
143T46.2Very low44.6Very low95 Ų95131.3 Ų131.358%0.58373%0.734SS**  trans61.2135.214558.40000119.5
144Y46.2Very low44.8Very low208 Ų208135.3 Ų135.382%0.81673%0.733SS**  -148.5126.265.4-73.9-92.8000109.8
145L45.7Very low44.6Very low138 Ų138135.7 Ų135.772%0.72373%0.733SS**  53.4129.789.7-80163.9000112.9
146R42.6Very low44.8Very low192 Ų192135.6 Ų135.673%0.72573%0.732SS**  cis179.4140.213.7-151.7-166.4174.8-152.2-20.2109.4
147H45.7Very low44.9Very low139 Ų139134.3 Ų134.364%0.64473%0.729SS**  trans62.2146.4149-64.4-23.2000120.8
148R47.5Very low45.2Very low199 Ų199141.3 Ų141.375%0.75174%0.738SS**  cis-172.8147.542.1-139.2176.6168.1167.1-7.7111.1
149E42.5Very low45.4Very low143 Ų143143 Ų14367%0.66874%0.738SS**  trans70.6138.5147-74.1156.1-170.800119.4
150T51Low45.9Very low93 Ų93144.8 Ų144.857%0.57174%0.743SS**  cis180138.84.8-88.30000110
151E44.6Very low46.6Very low175 Ų175146.6 Ų146.682%0.81875%0.749SS**  trans60.7144.1150.5-64.5163.2-159.400121.6
152M50.8Low46.7Very low122 Ų122149.4 Ų149.460%0.60175%0.75SS**  cis-171.8141.9-5.4-91.3-85.3-90.700105.9Y154M152-Y154 HydrophobicContact CB-CE2 4.4Å; M152-Y154 HydrophobicContact CE-CE2 4.08Å; M152-Y154 WeakPolarHBondContact CE-OH 3.34Å
153P50.8Low46.9Very low123 Ų123151.2 Ų151.280%0.79976%0.756SS**PPolyproline II helixtrans-102.8123.4168.233.6-23.5000111.4
154Y47.9Very low47Very low199 Ų199150.1 Ų150.178%0.7876%0.764SS**PPolyproline II helixtrans-100130.5171.2-79.3-78.4000112.1M152M152-Y154 HydrophobicContact CB-CE2 4.4Å; M152-Y154 HydrophobicContact CE-CE2 4.08Å; M152-Y154 WeakPolarHBondContact CE-OH 3.34Å
155T44.1Very low47.1Very low131 Ų131150.8 Ų150.880%0.80477%0.765SS**PPolyproline II helixtrans-75.3139.917253.20000112.1
156A43.4Very low47Very low97 Ų97148.4 Ų148.480%0.80277%0.765SS**  trans-150.297.4154.100000108.3
157S45Very low47.5Very low114 Ų114146.9 Ų146.980%0.79777%0.768SS**  53.487.893.4-73.80000114.9
158R46.4Very low48Very low233 Ų233146.8 Ų146.888%0.87978%0.778SS**  23.9120.7117.9-160.7-178.1-160.1-163.45116.1
159M42.7Very low48.6Very low171 Ų171143 Ų14384%0.84278%0.779SS**  -173.2132.8128.9-76.1-126.7172.700110.9
160P51.3Low49.4Very low123 Ų123142 Ų14280%0.79978%0.784SS**  trans-96.3141.9161.134.8-25.5000110.3
161V57Low48.9Very low146 Ų146142.4 Ų142.489%0.88580%0.797SS**  trans-137.3154.9172-89.60000112.4
162H47.1Very low49.4Very low162 Ų162141.6 Ų141.675%0.7580%0.797SS**  trans-97.3163.7-152.2-144.639000111.9
163M47.3Very low49.4Very low172 Ų172144.7 Ų144.785%0.84781%0.81SS**  trans62.7125.8153.8-64.1-155.9-177.900120.6
164G47.2Very low49.4Very low72 Ų72145 Ų14574%0.74281%0.809SS**  trans173.372.116300000109.8
165R48.8Very low49.3Very low223 Ų223146.5 Ų146.584%0.84281%0.814SS**  81.411398.7-165.6172.8176.9176-1.2112.2
166A42.4Very low49.3Very low87 Ų87145.8 Ų145.872%0.71981%0.814SS**  trans-55.5142.1175.500000113.2
167M53.5Low50.3Low160 Ų160147 Ų14779%0.78881%0.813SS**  trans-144.6107.5157.3-72.9-62.1172.400108.9
168T56.3Low50.5Low138 Ų138146.8 Ų146.885%0.84781%0.812SS**  trans-92.3140.4163.338.40000110
169P61.2Low50.4Low119 Ų119144 Ų14477%0.77381%0.813SS**  trans-129.2167.5154.240.3-26.1000111.1
170P57.7Low50.8Low121 Ų121144.4 Ų144.479%0.78682%0.816SS**  -103.3166.1-114.419.51.1000114.9
171A42.4Very low50.9Low102 Ų102144.8 Ų144.884%0.84382%0.816SS**  trans-60.2132.6171.700000112.5
172I54.7Low50.6Low158 Ų158143.2 Ų143.281%0.8181%0.809SS**  trans-101.7115.2163.1-65.7176.7000107.7V174I172-V174 HydrophobicContact CG2-CG2 3.95Å
173Q49.1Very low50.4Low187 Ų187142.7 Ų142.787%0.87481%0.812SS**  trans-91.7107.1179.7-161.9171.115.300107.1
174V51.6Low50.3Low129 Ų129145.2 Ų145.278%0.78281%0.812SS**  trans-116.8120168-175.10000109I172I172-V174 HydrophobicContact CG2-CG2 3.95Å
175R46.3Very low50.1Low232 Ų232147.2 Ų147.288%0.87581%0.814SS**PPolyproline II helixtrans-60.1131.7-172.6-65.4156120-151.90.1112.2
176S43.8Very low50.4Low116 Ų116142.3 Ų142.381%0.81181%0.811SS**PPolyproline II helixtrans-82.4130.7152-47.30000108.8
177P63.6Low50.6Low121 Ų121143.1 Ų143.179%0.78682%0.818SS**PPolyproline II helixtrans-94.4123.4159.730-22000110.5
178S50.7Low50.2Low111 Ų111139.6 Ų139.678%0.77682%0.823SS**  trans4.3129.7156-54.50000120.7
179L44.5Very low49.7Very low173 Ų173136.5 Ų136.591%0.90682%0.818SS**  trans-48.3124.5146.1-72.8148.8000111.5
180M49.6Very low49.1Very low181 Ų181140.1 Ų140.189%0.89283%0.827SS**  trans-145.498.8152.8-82.617876.700108.4
181T53.7Low48.3Very low130 Ų130143 Ų14380%0.79883%0.83SS**  trans-84.6159.1138.352.60000106.1
182P50.8Low49Very low113 Ų113142.2 Ų142.273%0.73482%0.816SS**  cis-147.2179.834.137.8-14.9000116.5
183N42.5Very low48.4Very low152 Ų152144.8 Ų144.881%0.81382%0.817SS**  trans91135.5137.3-132.4-3.7000119.9
184R45Very low48.2Very low225 Ų225139.2 Ų139.285%0.84980%0.803SS**  trans102.897139.5-142.4172.4-167.8-165.61.9118
185S44.3Very low48.2Very low114 Ų114140.1 Ų140.180%0.79780%0.798SS**  trans-64.2156.5154.9-430000112.1
186P55.3Low47.7Very low120 Ų120137.5 Ų137.578%0.77980%0.796SS**  -133.8129.5123.833.4-20.1000110
187A47Very low47.8Very low103 Ų103136.2 Ų136.285%0.85179%0.792SS**  58.8114.179.700000114.3
188G45.1Very low46.9Very low87 Ų87134.9 Ų134.990%0.89779%0.786SS**  trans134.3117.4150.200000117.1
189G44Very low46.7Very low73 Ų73137.2 Ų137.275%0.75378%0.784SS**  trans129.673.316200000113.6
190M49.3Very low46.6Very low195 Ų195137.4 Ų137.496%0.96178%0.781SS**  72.4100.890.8-70.7-173.2175.800115.3
191E41.9Very low46.1Very low182 Ų182138.2 Ų138.285%0.8578%0.775SS**  trans-81.9-168153.4-129-158.8172.900109.2
192P56.8Low45.6Very low84 Ų84136.9 Ų136.955%0.54577%0.771SS.*  cis-140.3-149.6-14.732.3-6.9000113.1
193Y41.6Very low45.5Very low213 Ų213142.8 Ų142.884%0.83578%0.779SS**  trans100.5132.3175.4-66.3-77.8000114
194A44.5Very low45.6Very low69 Ų69146.7 Ų146.757%0.5778%0.782SS**  cis-179.7148.88.600000110.7
195H51.5Low46.2Very low148 Ų148141.9 Ų141.969%0.68578%0.78SS**  trans55.5109.9137.2-55.9-56.4000119.9
196E37.2Very low46.8Very low178 Ų178144 Ų14483%0.83278%0.781SS**  96.1134.681.7-107.4176.912600113.3
197A44.8Very low47Very low88 Ų88143.5 Ų143.573%0.72778%0.778SS**  trans141.7105132.600000114.1
198S44.3Very low47.9Very low94 Ų94144.9 Ų144.966%0.65778%0.779SS**  63.3118.5129.655.70000122.7
199Q46.5Very low47.8Very low159 Ų159149.2 Ų149.274%0.74378%0.776SS**  58.1121.2121.7-54.8-17556.500118.7
200Q43.2Very low47.8Very low177 Ų177150.6 Ų150.683%0.82777%0.774SS**  173.9117.4107.1-91.4178.9-18.100112.5
201Y37.9Very low47.7Very low199 Ų199145.7 Ų145.778%0.7876%0.756SS**  trans26.7134.9140-64.1-82.5000122.8
202S44.9Very low47.8Very low101 Ų101145.8 Ų145.871%0.70676%0.757SS**  trans81.8106.3140.5-62.70000117.2
203R48.3Very low47Very low238 Ų238145.1 Ų145.190%0.89877%0.765SS**  168.3107.5107.4-76.1-105-177.9-140.8-0.7109.5
204R44.4Very low47.1Very low234 Ų234146.5 Ų146.588%0.88377%0.77SS**  trans-73148.1158.7-80-177.4171.6-144.7-0.3109.4
205P56.6Low46.7Very low124 Ų124147.2 Ų147.281%0.80578%0.784SS**  trans-106.4129.5147.70.120.5000110.6
206L56.8Low46.2Very low157 Ų157143.8 Ų143.882%0.82279%0.789SS**PPolyproline II helixtrans-74.6150.1166.4-79.4139.4000110.3
207P61.3Low46.3Very low110 Ų110147.2 Ų147.271%0.71480%0.796SS**PPolyproline II helixtrans-83.9150.6167.834.6-30.1000111
208P65.6Low46.2Very low133 Ų133146 Ų14686%0.86479%0.791SS**PPolyproline II helixtrans-78.2143.9179.630.9-32.7000112.7
209E42.5Very low46.1Very low177 Ų177148.9 Ų148.983%0.82780%0.795SS**PPolyproline II helixtrans-78.5158.2173.2-65-172.4135.900113.3
210S43.5Very low45.9Very low102 Ų102149.1 Ų149.171%0.71380%0.801SS**  trans85.4157.7141.9-72.20000119.2
211P47.7Very low45.9Very low92 Ų92149.2 Ų149.260%0.59780%0.799SS**  -135.5-179.9-63.326.6-4.1000112.4
212H44.4Very low46.2Very low185 Ų185147.6 Ų147.686%0.85680%0.803SS**  trans81.1125165.5-47.2-66.8000118.4
213G39.9Very low45.9Very low70 Ų70146.2 Ų146.272%0.72280%0.804SS**  trans16285.9163.500000115.3
214Y43.8Very low45.7Very low242 Ų242143 Ų14395%0.94980%0.804SS**  trans39.5117.4141.9-87.4-96.7000120.9
215G36.4Very low45.4Very low83 Ų83135.7 Ų135.786%0.85680%0.803SS**  80.8106.5125.900000117.8
216G39.6Very low44.5Very low76 Ų76133.2 Ų133.278%0.78480%0.8SS**  trans-178.277.9167.100000112.7G218G216-G218 PolarHBondContact O-N 2.77Å
217Y39.3Very low43.9Very low251 Ų251132.8 Ų132.898%0.98480%0.803SS**  trans-67.899.3163.8-68.3-81.5000108.1
218G43.4Very low43.1Very low61 Ų61134 Ų13463%0.62981%0.808SS**  trans-139.5104-176.300000111.9G216G216-G218 PolarHBondContact O-N 2.77Å
219Q42.1Very low42.1Very low156 Ų156133.3 Ų133.373%0.72981%0.806SS**  trans5892.6150.7-54.9-1540.300119.1K221Q219-K221 PolarHBondContact O-N 3.22Å; Q219-K221 VanDerWaalsContact O-N 3.16Å
220N42.3Very low42Very low163 Ų163128.1 Ų128.187%0.87280%0.801SS**  trans-78.889.8149.9-73.7-22.2000109.3L222N220-L222 PolarHBondContact O-N 2.74Å
221K44.2Very low42.2Very low180 Ų180129 Ų12978%0.78381%0.806SS**  trans-83.393.2154.8-78-169.8178.9-1690107.8Q219Q219-K221 PolarHBondContact O-N 3.22Å; Q219-K221 VanDerWaalsContact O-N 3.16Å
222L43.4Very low42.6Very low165 Ų165130.6 Ų130.686%0.86482%0.817SS**  trans-94.3102.7160.5-86157.8000107.4N220N220-L222 PolarHBondContact O-N 2.74Å
223G37.9Very low42.4Very low71 Ų71129.9 Ų129.973%0.73282%0.819SS**  trans-69.9136.6168.400000109.9
224N44.4Very low42.2Very low170 Ų170135.5 Ų135.591%0.90983%0.826SS**  trans-134.8123.4159.8-118.5-8000108.6
225G38.7Very low41.8Very low82 Ų82132 Ų13285%0.84582%0.823SS**  trans-68.6147-178.100000112.2
226G37.7Very low42.1Very low72 Ų72134.1 Ų134.174%0.74282%0.819SS**  trans-156117.8175.900000109.5
227V44.5Very low41.9Very low147 Ų147136 Ų13689%0.89182%0.82SS**  trans-70.7135-161.8-1760000112.2
228V44.8Very low42.1Very low137 Ų137133 Ų13383%0.8382%0.815SS**  trans-81.2116168.9-179.30000108.4
229S44.4Very low41.7Very low117 Ų117134 Ų13482%0.81883%0.825SS**  trans-103.1109161.854.60000109.3
230G40.4Very low41.4Very low69 Ų69130.2 Ų130.271%0.71183%0.828SS**PPolyproline II helixtrans-79.6150.3170.600000111.8
231S47.6Very low41.2Very low119 Ų119134.2 Ų134.283%0.83283%0.831SS**PPolyproline II helixtrans-56.7144.2178.5-45.70000113.6
232P55.4Low40.9Very low127 Ų127132.8 Ų132.883%0.82584%0.838SS**PPolyproline II helixtrans-83.313416330.7-27.7000111.1
233L40Very low40.5Very low170 Ų170136.4 Ų136.489%0.8984%0.84SS**PPolyproline II helixtrans-49.4136.1169.3-75.1155000112L235L233-L235 PolarHBondContact O-N 2.91Å
234Q36.1Very low40.5Very low187 Ų187136.3 Ų136.387%0.87483%0.832SS**PPolyproline II helixtrans-69.3122.5159-65.3-173.314.200108.4
235L36.1Very low40.2Very low170 Ų170136.5 Ų136.589%0.8983%0.828SS**  trans-124.9122.9160.3-153.478.3000109.2L233L233-L235 PolarHBondContact O-N 2.91Å
236V41.2Very low40Very low126 Ų126138.4 Ų138.476%0.76482%0.822SS**  trans-59130.6-179.2166.50000111.1
237S36.8Very low39.9Very low115 Ų115139.9 Ų139.980%0.80483%0.828SS**  trans-80.8116.6168.4177.80000109.8
238Q42.2Very low39.7Very low188 Ų188138.6 Ų138.688%0.87982%0.82SS**  trans-125.2130152.9-89.8-164.7-100108.6
239G35.8Very low39.5Very low82 Ų82140 Ų14085%0.84582%0.822SS**  trans-70.6157-170.400000114.8
240G36.4Very low39.3Very low77 Ų77141.8 Ų141.879%0.79482%0.823SS**  trans-174102.217200000109.9
241R36.2Very low39.4Very low247 Ų247143.4 Ų143.493%0.93282%0.824SS**  trans-61.4138.5176.8-65.1166155.6-179.6-7.2110.7
242T39.6Very low39.1Very low151 Ų151145.8 Ų145.893%0.92683%0.826SS**  -163.4149.9128.434.60000111.2
243R34.1Very low38.2Very low241 Ų241145.7 Ų145.791%0.90983%0.828SS**  trans-101.7157.7-157.8-173.2-177178.8172.2-0.3110.5
244A38.6Very low38.4Very low69 Ų69141.6 Ų141.657%0.5782%0.819SS**  trans93146.3149.200000116.9
245H37.1Very low38.9Very low174 Ų174138.3 Ų138.381%0.80681%0.814SS**  cis-149.6140.79.5-86.6-83.6000110.5
246V34.5Very low39.6Very low122 Ų122135.9 Ų135.974%0.73981%0.808SS**  trans40.9117.9136-168.30000120.8
247A36.8Very low39.6Very low103 Ų103133.3 Ų133.385%0.85180%0.8SS**  -148.9121.4127.200000109.4
248V38.9Very low39.8Very low119 Ų119134.4 Ų134.472%0.72180%0.802SS**  trans-71.6138.4176.3-91.40000110.7
249N42.3Very low39.6Very low166 Ų166134.7 Ų134.789%0.88880%0.796SS**  trans-151.5102.8144.4-94.5-17.5000108.2
250D38.4Very low39.7Very low155 Ų155138.4 Ų138.483%0.82980%0.796SS**  trans-57.4124.9162.1-83.1-44000109.9
251S43.4Very low40Very low104 Ų104141.3 Ų141.373%0.72780%0.798SS**  trans-173.9109.7131.714.80000112.2
252L40.8Very low40.2Very low168 Ų168135 Ų13588%0.8878%0.783SS**  trans61.4128.2139.2-74.981.3000121.2
253S36.6Very low39.9Very low125 Ų125135.9 Ų135.987%0.87478%0.776SS**  trans99.4110.7143.4-148.40000116.2
254A44.2Very low40.1Very low85 Ų85132.2 Ų132.270%0.70277%0.774SS**PPolyproline II helixtrans-56.2153.7-17100000114.4
255P47.5Very low40.1Very low117 Ų117134 Ų13476%0.7678%0.782SS**PPolyproline II helixtrans-62.2146172.627.7-34.3000110.7A257P255-A257 PolarHBondContact O-N 3.24Å; P255-A257 VanDerWaalsContact O-N 3.15Å
256P50.6Low40.6Very low119 Ų119132.3 Ų132.377%0.77378%0.779SS**PPolyproline II helixtrans-63.2119-177.525.6-33.2000110.8V258P256-V258 PolarHBondContact O-N 3.23Å
257A40.9Very low41.2Very low72 Ų72134.2 Ų134.260%0.59579%0.785SS**  trans-71.1114.2166.800000108.9P255 Y259P255-A257 PolarHBondContact O-N 3.24Å; P255-A257 VanDerWaalsContact O-N 3.15Å; A257-Y259 HydrophobicContact CB-CD2 4.42Å; A257-Y259 HydrophobicContact CB-CE2 3.87Å
258V40.3Very low41.8Very low139 Ų139138.3 Ų138.384%0.84279%0.787SS**  trans-89.7106.5173.5-170.80000107.7P256P256-V258 PolarHBondContact O-N 3.23Å
259Y39.3Very low42.5Very low194 Ų194143.7 Ų143.776%0.76179%0.794SS**PPolyproline II helixtrans-82127.7172.8-70-88.1000109.7A257 V261A257-Y259 HydrophobicContact CB-CD2 4.42Å; A257-Y259 HydrophobicContact CB-CE2 3.87Å; Y259-V261 PolarHBondContact O-N 3.44Å
260L37.6Very low42.7Very low160 Ų160144.3 Ų144.384%0.83879%0.789SS**PPolyproline II helixtrans-64.9118.4166.2-116.497000108
261V43Very low43.2Very low137 Ų137144.6 Ų144.683%0.8379%0.788SS**PPolyproline II helixtrans-95.5116.5163.8-174.50000107.3Y259Y259-V261 PolarHBondContact O-N 3.44Å
262D39.7Very low43.3Very low115 Ų115146.6 Ų146.662%0.61579%0.79SS**PPolyproline II helixtrans-66.4140.7-178-91.2-41.4000113.3
263Q32.5Very low43.4Very low169 Ų169145.7 Ų145.779%0.7979%0.785SS**  trans48.293.2143.9-57.6-172.665.900118.7
264L40.1Very low43.9Very low165 Ų165145.3 Ų145.386%0.86478%0.777SS**  trans-124.194.3148.7-69.7172.8000109.2N266L264-N266 PolarHBondContact O-N 2.94Å
265S37.3Very low43.8Very low106 Ų106147 Ų14774%0.74178%0.779SS**  trans-43.6118.3156.1165.30000109.5
266N47.4Very low43.4Very low139 Ų139145.9 Ų145.974%0.74377%0.774SS**  trans-171.467.1161.7-84.5-35.2000109.7L264L264-N266 PolarHBondContact O-N 2.94Å
267N47.6Very low42.9Very low161 Ų161145.1 Ų145.186%0.86178%0.778SS**  trans-91.911.8-179.2-60.8-13.8000113.5
268E50.7Low42.7Very low190 Ų190146.4 Ų146.489%0.88878%0.782SS**SBendtrans-118.316.9-163.8-63.3-160.8146.700116.4
269R52.3Low42.6Very low232 Ų232148.3 Ų148.388%0.87578%0.782SS**SBendtrans-125.59.3-178.3-98.9-171.7178.1-1630.4117.2
270F47Very low42.8Very low179 Ų179145.9 Ų145.979%0.78579%0.788SS**SBendtrans-93.5-2.9-170.1-108.1-87.2000116.4
271M49.3Very low43.2Very low161 Ų161144.8 Ų144.879%0.79378%0.782SS**SBendtrans-103.3-13.5-177.4-67-62.3-75.800115.1
272D44Very low43.1Very low146 Ų146143.5 Ų143.578%0.78178%0.777SS**SBendtrans-90.5-12.8-177.7-78.5-11000114.5
273L43.2Very low43.4Very low149 Ų149145.1 Ų145.178%0.7879%0.791SS**SBendtrans-99-10.1-177-147.573.3000113.9
274V47.6Very low43.6Very low117 Ų117142.1 Ų142.171%0.70979%0.788SS**THydrogen-bonded Turntrans-92-0.4-176.6-170.70000111.9
275T41.8Very low43.5Very low121 Ų121137.5 Ų137.574%0.74278%0.781SS**THydrogen-bonded Turntrans-107.48.1179.5-47.60000113.3
276S39.3Very low44Very low92 Ų92141.5 Ų141.564%0.64379%0.788SS**SBendtrans-117.410.6-170.2-36.30000116.1
277A41Very low44Very low103 Ų103141.7 Ų141.785%0.85179%0.788SS**  trans-116.164.5-178.800000111.8
278S35.7Very low43.7Very low99 Ų99141.2 Ų141.269%0.69278%0.781SS**  trans-137.280.3167.662.50000109.3
279E38.4Very low43.4Very low180 Ų180138.9 Ų138.984%0.84177%0.774SS**  trans-174.882.2161.5-106.7164.3-150.700109.2
280T43.9Very low43.1Very low143 Ų143135.8 Ų135.888%0.87777%0.773SS**  trans-99.399.7160.354.40000107.4
281N45.5Very low42.8Very low136 Ų136134.2 Ų134.273%0.72777%0.772SS**  trans-68.8137.1170.5-86-48.4000110.5
282P42Very low42.3Very low110 Ų110133.9 Ų133.971%0.71477%0.773SS**  trans-85.9115.3171.332.9-27.3000109.2S284P282-S284 PolarHBondContact O-N 2.87Å
283V45.3Very low42.5Very low149 Ų149132.2 Ų132.290%0.90378%0.78SS**  trans-86.595.8169.6179.40000108.1
284S36.5Very low42.5Very low106 Ų106133.7 Ų133.774%0.74178%0.78SS**  trans-119.8124.8165.853.90000108.6P282P282-S284 PolarHBondContact O-N 2.87Å
285G38.2Very low42.6Very low68 Ų68135.8 Ų135.870%0.70179%0.786SS**  trans122.5115.3163.400000114.5
286E47.9Very low42.5Very low191 Ų191137.6 Ų137.689%0.89379%0.786SS**  trans149.479.6148.5-82.8-179.8-175.500108.2
287L46.3Very low42.4Very low142 Ų142138.5 Ų138.574%0.74379%0.792SS**  53.495.682.7-82161.2000114.4
288E41.6Very low42.3Very low152 Ų152139.9 Ų139.971%0.7179%0.793SS**  71143.6128.1-62.3-178.5-158.500121.9
289N44.2Very low42.3Very low141 Ų141140.5 Ų140.575%0.75480%0.797SS**  trans90.9108.1165.1-51.8-40.5000116.2
290I45.8Very low42.6Very low166 Ų166137.1 Ų137.185%0.85179%0.791SS**  -173.7109.9104.6-82147.3000107.6
291I40.6Very low42.4Very low147 Ų147136.3 Ų136.375%0.75479%0.791SS**  trans-87.4156.5166.2-65168.8000107
292D39.4Very low42Very low153 Ų153135.1 Ų135.182%0.81879%0.793SS**  trans88.1103.7167.4-59.3-39.2000119.3
293A48.3Very low42Very low112 Ų112138 Ų13893%0.92680%0.801SS**  -171.5133.8118.300000112.4
294K44.2Very low41.4Very low179 Ų179138.2 Ų138.278%0.77880%0.796SS**  trans-95.1131.8-170.9167.7175.9-178.5-74.60110.7
295L47.9Very low41.7Very low161 Ų161139.5 Ų139.584%0.84380%0.799SS**  trans-169.998.3158.6-103.8129.6000108.9
296E41.2Very low41.6Very low159 Ų159143.8 Ų143.874%0.74380%0.801SS**  94105.790.2-146.892.7-163.900111.6
297S37.5Very low41.2Very low111 Ų111143.2 Ų143.278%0.77680%0.797SS**  trans-78.3160.4175.754.70000113
298P39.1Very low40.7Very low132 Ų132146.3 Ų146.386%0.85781%0.805SS**  -143.2155.2121.532.3-14.6000115.5
299S34.7Very low40.6Very low112 Ų112146.6 Ų146.678%0.78381%0.811SS**  trans-119.7179.6179.1178.80000108.8
300P45Very low40.3Very low109 Ų109147.7 Ų147.771%0.70881%0.812SS**  cis-122.5159.3-47.929.7-13.6000111.7
301S40.2Very low40.2Very low126 Ų126144.2 Ų144.288%0.88181%0.808SS**  trans-155.6128.6156.5-71.20000111.8
302S36Very low40.4Very low111 Ų111144.9 Ų144.978%0.77681%0.806SS**  trans-45.9133.5-177.250.80000118
303I42.4Very low40.5Very low172 Ų172148.2 Ų148.288%0.88281%0.808SS**  trans-137126.3135.6-60.9-175.9000108.3
304L31.8Very low40.2Very low153 Ų153147.3 Ų147.380%0.80179%0.791SS**  trans-102.9109.9-176.4175.7132.8000108.4
305V44.5Very low40Very low133 Ų133149.5 Ų149.581%0.80680%0.796SS**  trans-154.5135.5148.7-175.10000109.7
306H34.3Very low39.8Very low158 Ų158149.8 Ų149.873%0.73179%0.793SS**  trans-46.4139.8-172.3-74.1-96.2000119.1
307H40Very low39.7Very low178 Ų178149.8 Ų149.882%0.82480%0.798SS**  178.897.2112.8-84.8-71.1000108.5N309H307-N309 PolarHBondContact O-N 3.14Å
308K35.7Very low40.1Very low208 Ų208148.3 Ų148.390%0.90479%0.792SS**  trans-90.492.3-179.3-71.7-178.4176.3179.10110.6
309N39.8Very low40.3Very low157 Ų157149 Ų14984%0.8479%0.789SS**  trans-119.172.3167.3-70.31.5000109.9H307H307-N309 PolarHBondContact O-N 3.14Å
310E37.5Very low40.9Very low164 Ų164152.7 Ų152.777%0.76679%0.794SS**  trans-91104.4163.3-81.5-174.7177.600109K312E310-K312 PolarHBondContact O-N 3.06Å
311A45.1Very low41.1Very low94 Ų94153.2 Ų153.278%0.77780%0.795SS**  trans-74.187.8170.900000109.9
312K43.7Very low41.5Very low160 Ų160153.5 Ų153.570%0.69679%0.794SS**  trans-80.7118160.9-70.1-177.8-1801780108.1E310 V314E310-K312 PolarHBondContact O-N 3.06Å; K312-V314 VanDerWaalsContact C-N 3.35Å; K312-V314 HydrophobicContact CB-CG2 4.17Å; K312-V314 PolarHBondContact O-N 3.31Å
313Y41.8Very low42Very low224 Ų224158.3 Ų158.388%0.87880%0.795SS**  trans-67.494.5169.8-72.7-83.3000109
314V41.1Very low42.5Very low92 Ų92156.4 Ų156.456%0.55879%0.792SS**  trans-111110.6171-178.50000106.7K312 Q316K312-V314 VanDerWaalsContact C-N 3.35Å; K312-V314 HydrophobicContact CB-CG2 4.17Å; K312-V314 PolarHBondContact O-N 3.31Å; V314-Q316 HydrophobicContact CG1-CG 3.92Å; V314-Q316 PolarHBondContact O-N 3.45Å
315Y41Very low43.5Very low226 Ų226156.7 Ų156.789%0.88679%0.789SS**  trans-66.596.3167.4-84-93.8000108
316Q42.8Very low44Very low167 Ų167156.9 Ų156.978%0.7879%0.79SS**  trans-109.3112.4167.8-92.9173.117.900108.9V314 A318V314-Q316 HydrophobicContact CG1-CG 3.92Å; V314-Q316 PolarHBondContact O-N 3.45Å; Q316-A318 PolarHBondContact O-N 3.05Å
317N40.1Very low44.6Very low158 Ų158156.2 Ų156.285%0.84579%0.791SS**  trans-67.8116.4163.3-64.5-73.8000107.5
318A45.3Very low45.5Very low80 Ų80149.9 Ų149.966%0.66177%0.773SS**  trans-160.898.7163.200000107.6Q316Q316-A318 PolarHBondContact O-N 3.05Å
319D44.1Very low47Very low148 Ų148143.5 Ų143.579%0.79177%0.766SS**  45.7125.5126.3-52.1-28.9000119.4
320E45.6Very low48.2Very low189 Ų189145 Ų14588%0.88377%0.768SS**  trans75.767.3149-61.7176.8-177.500118.9
321T49.3Very low49.9Very low119 Ų119145.6 Ų145.673%0.7377%0.771SS**SBendtrans-141.9147.3145.844.20000108.4R323T321-R323 VanDerWaalsContact C-N 3.32Å; T321-R323 PolarHBondContact O-N 2.95Å
322P49.3Very low51.4Low132 Ų132147.4 Ų147.486%0.85777%0.772SS**  trans-68.192.9-172.928.7-33000109T324P322-T324 PolarHBondContact O-N 3.43Å; P322-T324 VanDerWaalsContact O-N 3.13Å
323R47.7Very low53.1Low213 Ų213148 Ų14880%0.80477%0.771SS**  trans-52.7121.4172.7-77.2-176.5173.7-169.5-0.7107.1T321 Q325T321-R323 VanDerWaalsContact C-N 3.32Å; T321-R323 PolarHBondContact O-N 2.95Å; R323-Q325 PolarHBondContact O-N 3.41Å
324T51.5Low54.9Low132 Ų132145.4 Ų145.481%0.8177%0.765SS**  trans-38.3108165.7250000108.4P322 V326P322-T324 PolarHBondContact O-N 3.43Å; P322-T324 VanDerWaalsContact O-N 3.13Å; T324-V326 PolarHBondContact O-N 3.1Å
325Q52.9Low56.9Low159 Ų159142 Ų14274%0.74374%0.743SS**  trans-68.1109.3-177.5-62.3179.44.500106.4R323 I327R323-Q325 PolarHBondContact O-N 3.41Å; Q325-I327 HydrophobicContact CB-CD1 3.99Å; Q325-I327 HydrophobicContact CB-CG1 3.67Å; Q325-I327 PolarHBondContact O-N 2.87Å
326V55Low58.9Low136 Ų136133.9 Ų133.982%0.82472%0.718SS**  trans-71.276.9165-178.30000106.4T324 G328T324-V326 PolarHBondContact O-N 3.1Å; V326-G328 PolarHBondContact O-N 3.47Å
327I47.2Very low60.9Low145 Ų145134.2 Ų134.274%0.74471%0.712SS**THydrogen-bonded Turntrans-78.1107.9170.6-59.5169.7000105.3Q325Q325-I327 HydrophobicContact CB-CD1 3.99Å; Q325-I327 HydrophobicContact CB-CG1 3.67Å; Q325-I327 PolarHBondContact O-N 2.87Å
328G58.6Low62.9Low44 Ų44132.3 Ų132.345%0.45470%0.698SS.*THydrogen-bonded Turntrans142.9-2.2175.800000116.7V326 Q330 E331V326-G328 PolarHBondContact O-N 3.47Å; G328-Q330 PolarHBondContact O-N 3.43Å; G328-E331 PolarHBondContact O-N 2.9Å
329G67.2Low64.7Low74 Ų74133.6 Ų133.676%0.76369%0.691SS**THydrogen-bonded Turntrans-67.37.4179.600000116.3
330Q64.9Low66.3Low188 Ų188134.7 Ų134.788%0.87968%0.684SS**THydrogen-bonded Turntrans-12713.6-176.6-73.3-179.316.200114.3G328 V332G328-Q330 PolarHBondContact O-N 3.43Å; Q330-V332 PolarHBondContact O-N 3.17Å
331E74Confident67.9Low177 Ų177131.5 Ų131.583%0.82767%0.672SS**  trans-74.9100.4173-66.9-172.4-173.400110.9G328 Y333G328-E331 PolarHBondContact O-N 2.9Å; E331-Y333 PolarHBondContact O-N 3.16Å
332V77.1Confident69.2Low133 Ų133134.5 Ų134.581%0.80668%0.675SS**  trans-7199167.9-177.50000108Q330 K334Q330-V332 PolarHBondContact O-N 3.17Å; V332-K334 PolarHBondContact O-N 3.45Å
333Y78.2Confident70.2Confident171 Ų171135.2 Ų135.267%0.67167%0.667SS**  trans-59.4111.3175179.1-106.8000110.6E331 D335 P336E331-Y333 PolarHBondContact O-N 3.16Å; Y333-D335 HydrophobicContact CD1-CB 3.96Å; Y333-D335 VanDerWaalsContact CE1-CA 3.43Å; Y333-D335 HydrophobicContact CE1-CB 3.61Å; Y333-D335 PolarHBondContact O-N 3.12Å; Y333-P336 WeakPolarHBondContact OH-CD 3.05Å
334K79.6Confident71.1Confident171 Ų171130.7 Ų130.774%0.74366%0.658SS**  trans-79.694.7170.2-70.4-174.7179.5-174.50108.7V332 P336V332-K334 PolarHBondContact O-N 3.45Å; K334-P336 WeakPolarHBondContact O-CD 3.11Å; K334-P336 VanDerWaalsContact O-N 3.16Å
335D82.9Confident71.7Confident20 Ų20133 Ų13311%0.10766%0.657CS.*  trans-63114.2-178.4-170.9-16000111.1Y333 R337 Q338Y333-D335 HydrophobicContact CD1-CB 3.96Å; Y333-D335 VanDerWaalsContact CE1-CA 3.43Å; Y333-D335 HydrophobicContact CE1-CB 3.61Å; Y333-D335 PolarHBondContact O-N 3.12Å; D335-R337 PolarHBondContact O-N 2.7Å; D335-R337 WeakPolarHBondContact OD1-CB 3.4Å; D335-R337 WeakPolarHBondContact OD1-CG 3.31Å; D335-R337 PolarHBondContact OD1-N 3.46Å; D335-R337 IonicContact OD1-NE 2.7Å; D335-R337 PolarHBondContact OD1-NE 2.79Å; D335-R337 VanDerWaalsContact OD1-NE 3.08Å; D335-R337 IonicContact OD2-CZ 2.86Å; D335-R337 IonicContact OD2-NE 2.99Å; D335-R337 PolarHBondContact OD2-NE 2.86Å; D335-R337 IonicContact OD2-NH2 3.19Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; D335-Q338 HydrophobicContact CB-CG 4.07Å; D335-Q338 WeakPolarHBondContact O-CB 3.36Å; D335-Q338 PolarHBondContact O-N 2.86Å
336P84.5Confident71.9Confident55 Ų55130.8 Ų130.836%0.35766%0.656SS.*Hα-helixtrans-58.6-21.3178.2-22.734000112.8Y333 K334 Q338 E339 R340Y333-P336 WeakPolarHBondContact OH-CD 3.05Å; K334-P336 WeakPolarHBondContact O-CD 3.11Å; K334-P336 VanDerWaalsContact O-N 3.16Å; P336-Q338 VanDerWaalsContact C-N 3.33Å; P336-E339 PolarHBondContact O-N 3.26Å; P336-R340 WeakPolarHBondContact O-CG 3.27Å; P336-R340 PolarHBondContact O-N 3.26Å
337R83.1Confident72Confident175 Ų175129.7 Ų129.766%0.6665%0.649SS**Hα-helixtrans-66.4-34.9174.4-59.6178-66.4-177.51.4111.8D335 R340 L341D335-R337 PolarHBondContact O-N 2.7Å; D335-R337 WeakPolarHBondContact OD1-CB 3.4Å; D335-R337 WeakPolarHBondContact OD1-CG 3.31Å; D335-R337 PolarHBondContact OD1-N 3.46Å; D335-R337 IonicContact OD1-NE 2.7Å; D335-R337 PolarHBondContact OD1-NE 2.79Å; D335-R337 VanDerWaalsContact OD1-NE 3.08Å; D335-R337 IonicContact OD2-CZ 2.86Å; D335-R337 IonicContact OD2-NE 2.99Å; D335-R337 PolarHBondContact OD2-NE 2.86Å; D335-R337 IonicContact OD2-NH2 3.19Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; R337-R340 PolarHBondContact O-N 3.03Å; R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 PolarHBondContact O-N 3.15Å
338Q83.8Confident72.5Confident118 Ų118131.2 Ų131.255%0.55165%0.654SS**Hα-helixtrans-69.1-36.7177-67.9-177.22.300111.4D335 P336 L341 K342D335-Q338 HydrophobicContact CB-CG 4.07Å; D335-Q338 WeakPolarHBondContact O-CB 3.36Å; D335-Q338 PolarHBondContact O-N 2.86Å; P336-Q338 VanDerWaalsContact C-N 3.33Å; Q338-L341 PolarHBondContact O-N 2.93Å; Q338-K342 WeakPolarHBondContact O-CG 3.39Å; Q338-K342 PolarHBondContact O-N 2.71Å; Q338-K342 VanDerWaalsContact O-N 3.1Å
339E82Confident72.7Confident107 Ų107130.3 Ų130.350%0.564%0.644SS.*Hα-helixtrans-65.6-45.3173.5-63.8-168.3159.800111.4P336 L341 K342 Q343P336-E339 PolarHBondContact O-N 3.26Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.37Å; E339-K342 PolarHBondContact O-N 2.94Å; E339-Q343 WeakPolarHBondContact O-CG 3.35Å; E339-Q343 PolarHBondContact O-N 3.38Å; E339-Q343 VanDerWaalsContact O-N 3.14Å
340R79Confident72.7Confident171 Ų171135.1 Ų135.165%0.64565%0.647SS**Hα-helixtrans-61.4-41.8175-69.6178.2-166.1173.54.6111.8P336 R337 K342 Q343 L344P336-R340 WeakPolarHBondContact O-CG 3.27Å; P336-R340 PolarHBondContact O-N 3.26Å; R337-R340 PolarHBondContact O-N 3.03Å; R340-K342 VanDerWaalsContact C-N 3.32Å; R340-K342 PolarHBondContact O-N 3.16Å; R340-Q343 CarbonylContact O-C 3.42Å; R340-Q343 PolarHBondContact O-N 3.14Å; R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 2.93Å
341L78Confident73.1Confident122 Ų122136 Ų13664%0.63965%0.648SS**Hα-helixtrans-64-36.1179.2-172.262000112.4R337 Q338 E339 Q343 L344R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 PolarHBondContact O-N 3.15Å; Q338-L341 PolarHBondContact O-N 2.93Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.37Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; L341-L344 HydrophobicContact CD1-CD1 4.25Å; L341-L344 PolarHBondContact O-N 3.03Å
342K77.3Confident73.2Confident181 Ų181130.4 Ų130.479%0.78762%0.623SS**Hα-helixtrans-69-27.8172.6-71.1174.9-177.1178.20112.9Q338 E339 R340Q338-K342 WeakPolarHBondContact O-CG 3.39Å; Q338-K342 PolarHBondContact O-N 2.71Å; Q338-K342 VanDerWaalsContact O-N 3.1Å; E339-K342 PolarHBondContact O-N 2.94Å; R340-K342 VanDerWaalsContact C-N 3.32Å; R340-K342 PolarHBondContact O-N 3.16Å
343Q70.9Confident73.4Confident148 Ų148126.9 Ų126.969%0.69261%0.605SS**Hα-helixtrans-84-19.4177.1-68.3174.831.300113.4E339 R340 L341 K345E339-Q343 WeakPolarHBondContact O-CG 3.35Å; E339-Q343 PolarHBondContact O-N 3.38Å; E339-Q343 VanDerWaalsContact O-N 3.14Å; R340-Q343 CarbonylContact O-C 3.42Å; R340-Q343 PolarHBondContact O-N 3.14Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; Q343-K345 VanDerWaalsContact C-N 3.27Å; Q343-K345 PolarHBondContact O-N 3.2Å
344L65.9Low73.6Confident118 Ų118126.7 Ų126.762%0.61861%0.607SS**  trans-70.286.7170-68.9173.3000108.8R340 L341R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 2.93Å; L341-L344 HydrophobicContact CD1-CD1 4.25Å; L341-L344 PolarHBondContact O-N 3.03Å
345K63.3Low73.8Confident179 Ų179125.2 Ų125.278%0.77860%0.597SS**  trans-53138.3161.1-69.7-179.1179.6176.60107.6Q343 V347Q343-K345 VanDerWaalsContact C-N 3.27Å; Q343-K345 PolarHBondContact O-N 3.2Å; K345-V347 PolarHBondContact O-N 3.38Å
346P57.7Low73.8Confident114 Ų114126.7 Ų126.774%0.7461%0.605SS**  trans-52.7111.6176.921.4-31.3000107.7E348P346-E348 PolarHBondContact O-N 3.22Å; P346-E348 VanDerWaalsContact O-N 3.14Å
347V57.4Low73.9Confident112 Ų112128.7 Ų128.768%0.67961%0.608SS**  trans-61.2121.6-178.1176.90000105.6K345 G349 E350K345-V347 PolarHBondContact O-N 3.38Å; V347-G349 PolarHBondContact O-N 3.43Å; V347-E350 PolarHBondContact O-N 2.76Å; V347-E350 VanDerWaalsContact O-N 3.11Å
348E57.2Low74Confident178 Ų178123.3 Ų123.383%0.83259%0.591SS**G310 helixtrans-50.9-14.8-175.7-69.9-175.2145.800113.7P346 E350P346-E348 PolarHBondContact O-N 3.22Å; P346-E348 VanDerWaalsContact O-N 3.14Å; E348-E350 VanDerWaalsContact C-N 3.32Å; E348-E350 PolarHBondContact O-N 2.92Å
349G61.9Low74Confident25 Ų25123 Ų12326%0.25859%0.585SS.*G310 helixtrans-65.9-20.1176.200000116.6V347 K351 L352V347-G349 PolarHBondContact O-N 3.43Å; G349-K351 VanDerWaalsContact C-N 3.31Å; G349-K351 PolarHBondContact O-N 3.42Å; G349-L352 PolarHBondContact O-N 3.43Å
350E68.3Low74.1Confident174 Ų174122.2 Ų122.281%0.81358%0.584SS**G310 helixtrans-74.6-22.8-174.9-143.8172.9-157.800113.1V347 E348V347-E350 PolarHBondContact O-N 2.76Å; V347-E350 VanDerWaalsContact O-N 3.11Å; E348-E350 VanDerWaalsContact C-N 3.32Å; E348-E350 PolarHBondContact O-N 2.92Å
351K73.2Confident74.4Confident207 Ų207119.2 Ų119.290%0.958%0.575SS**G310 helixtrans-97.22.4177.6-65.1-175.8180-179.60114G349G349-K351 VanDerWaalsContact C-N 3.31Å; G349-K351 PolarHBondContact O-N 3.42Å
352L75.3Confident74.6Confident60 Ų60113.8 Ų113.831%0.31455%0.549SS..  trans-79.4137.1-174.2-72.4179000112.1G349 D356 L360G349-L352 PolarHBondContact O-N 3.43Å; L352-D356 HydrophobicContact CB-CB 3.94Å; L352-D356 HydrophobicContact CD1-CB 4.35Å; L352-D356 HydrophobicContact CD2-CB 3.9Å; L352-D356 HydrophobicContact CG-CB 4.28Å; L352-L360 HydrophobicContact CD1-CD1 3.27Å; L352-L360 HydrophobicContact CD1-CG 4.24Å
353S81.5Confident74.9Confident59 Ų59113 Ų11341%0.41355%0.545SS..  trans-58.4155.2172.5790000110.3R355 D356 K357S353-R355 PolarHBondContact O-N 3.11Å; S353-D356 PolarHBondContact O-N 2.87Å; S353-D356 VanDerWaalsContact OG-CG 3.31Å; S353-D356 PolarHBondContact OG-N 2.99Å; S353-D356 PolarHBondContact OG-OD2 3.42Å; S353-K357 PolarHBondContact O-N 2.62Å
354F82.9Confident75.3Confident166 Ų166112.6 Ų112.673%0.72854%0.543SS*.Hα-helixtrans-50.8-36.7178.1177-99.6000112.3K357 M358F354-K357 PolarHBondContact O-N 3.14Å; F354-M358 HydrophobicContact CD1-CG 4.17Å; F354-M358 HydrophobicContact CE1-CG 3.67Å; F354-M358 HydrophobicContact CE1-SD 4.48Å; F354-M358 HydrophobicContact CE2-CG 4.32Å; F354-M358 HydrophobicContact CZ-CG 3.76Å; F354-M358 HydrophobicContact CZ-SD 4.08Å; F354-M358 WeakPolarHBondContact O-CB 3.33Å; F354-M358 WeakPolarHBondContact O-CG 3.19Å; F354-M358 PolarHBondContact O-N 3.47Å
355R83.4Confident75.8Confident141 Ų141113.9 Ų113.953%0.53254%0.544SS..Hα-helixtrans-65.6-40177.8-171.8175.2-178.2154.70.7112.6S353 M358 R359S353-R355 PolarHBondContact O-N 3.11Å; R355-M358 PolarHBondContact O-N 3.17Å; R355-R359 WeakPolarHBondContact O-CG 3.4Å; R355-R359 PolarHBondContact O-N 3.23Å
356D84.1Confident76.2Confident51 Ų51112.7 Ų112.727%0.27355%0.546SS..Hα-helixtrans-74.8-35.1178.8-58.8-42.1000111.2L352 S353 R359 L360L352-D356 HydrophobicContact CB-CB 3.94Å; L352-D356 HydrophobicContact CD1-CB 4.35Å; L352-D356 HydrophobicContact CD2-CB 3.9Å; L352-D356 HydrophobicContact CG-CB 4.28Å; S353-D356 PolarHBondContact O-N 2.87Å; S353-D356 VanDerWaalsContact OG-CG 3.31Å; S353-D356 PolarHBondContact OG-N 2.99Å; S353-D356 PolarHBondContact OG-OD2 3.42Å; D356-R359 WeakPolarHBondContact O-CB 3.45Å; D356-R359 PolarHBondContact O-N 2.89Å; D356-R359 IonicContact OD1-NH1 3.08Å; D356-R359 PolarHBondContact OD1-NH1 3.4Å; D356-L360 PolarHBondContact O-N 2.92Å
357K86Confident76.9Confident97 Ų97113.7 Ų113.742%0.42254%0.541SS..Hα-helixtrans-61-46.8170.5-165.7178-64.7-176.10111.2S353 F354 R359 L360 F361S353-K357 PolarHBondContact O-N 2.62Å; F354-K357 PolarHBondContact O-N 3.14Å; K357-R359 VanDerWaalsContact C-N 3.3Å; K357-R359 PolarHBondContact O-N 3.48Å; K357-L360 PolarHBondContact O-N 3.06Å; K357-F361 HydrophobicContact CD-CE2 3.93Å; K357-F361 HydrophobicContact CG-CD2 3.88Å; K357-F361 HydrophobicContact CG-CE2 3.46Å; K357-F361 VanDerWaalsContact CG-CE2 3.46Å; K357-F361 HydrophobicContact CG-CZ 4.5Å; K357-F361 WeakPolarHBondContact O-CD2 3.48Å; K357-F361 PolarHBondContact O-N 2.92Å
358M84.7Confident77.6Confident62 Ų62113.6 Ų113.631%0.30554%0.543SS..Hα-helixtrans-57.7-40172.6-82.7-64.4-56.500112.7F354 R355 A362 T369 P370F354-M358 HydrophobicContact CD1-CG 4.17Å; F354-M358 HydrophobicContact CE1-CG 3.67Å; F354-M358 HydrophobicContact CE1-SD 4.48Å; F354-M358 HydrophobicContact CE2-CG 4.32Å; F354-M358 HydrophobicContact CZ-CG 3.76Å; F354-M358 HydrophobicContact CZ-SD 4.08Å; F354-M358 WeakPolarHBondContact O-CB 3.33Å; F354-M358 WeakPolarHBondContact O-CG 3.19Å; F354-M358 PolarHBondContact O-N 3.47Å; R355-M358 PolarHBondContact O-N 3.17Å; M358-A362 WeakPolarHBondContact O-CB 3.44Å; M358-A362 PolarHBondContact O-N 2.85Å; M358-T369 HydrophobicContact CB-CG2 4.43Å; M358-P370 HydrophobicContact CE-CG 3.6Å
359R84.7Confident78.3Confident112 Ų112107.7 Ų107.742%0.42352%0.519SS..Hα-helixtrans-65.8-41175.7-75.3173.8179.2148.5-10.3112.8R355 D356 K357 A362 K363 T369R355-R359 WeakPolarHBondContact O-CG 3.4Å; R355-R359 PolarHBondContact O-N 3.23Å; D356-R359 WeakPolarHBondContact O-CB 3.45Å; D356-R359 PolarHBondContact O-N 2.89Å; D356-R359 IonicContact OD1-NH1 3.08Å; D356-R359 PolarHBondContact OD1-NH1 3.4Å; K357-R359 VanDerWaalsContact C-N 3.3Å; K357-R359 PolarHBondContact O-N 3.48Å; R359-A362 PolarHBondContact O-N 2.66Å; R359-K363 WeakPolarHBondContact O-CB 3.46Å; R359-K363 PolarHBondContact O-N 3.49Å; R359-T369 HydrophobicContact CG-CG2 3.73Å
360L83.9Confident78.5Confident90 Ų90110.7 Ų110.747%0.47153%0.534SS..Hα-helixtrans-64.4-45.5177.6-79.8179.4000111.7L352 D356 K357 K363 E364L352-L360 HydrophobicContact CD1-CD1 3.27Å; L352-L360 HydrophobicContact CD1-CG 4.24Å; D356-L360 PolarHBondContact O-N 2.92Å; K357-L360 PolarHBondContact O-N 3.06Å; L360-K363 PolarHBondContact O-N 3.09Å; L360-E364 PolarHBondContact O-N 3.42Å
361F84.2Confident78.4Confident107 Ų107111.4 Ų111.447%0.46953%0.534SS..Hα-helixtrans-61.8-47.4174.8-74.8-62.2000111.3K357 K363 E364 F365K357-F361 HydrophobicContact CD-CE2 3.93Å; K357-F361 HydrophobicContact CG-CD2 3.88Å; K357-F361 HydrophobicContact CG-CE2 3.46Å; K357-F361 VanDerWaalsContact CG-CE2 3.46Å; K357-F361 HydrophobicContact CG-CZ 4.5Å; K357-F361 WeakPolarHBondContact O-CD2 3.48Å; K357-F361 PolarHBondContact O-N 2.92Å; F361-K363 VanDerWaalsContact C-N 3.25Å; F361-K363 PolarHBondContact O-N 3.03Å; F361-E364 WeakPolarHBondContact O-CB 3.11Å; F361-E364 PolarHBondContact O-N 2.78Å; F361-F365 VanDerWaalsContact O-CD2 3.27Å; F361-F365 WeakPolarHBondContact O-CD2 3.4Å; F361-F365 PolarHBondContact O-N 3.1Å; F361-F365 VanDerWaalsContact O-N 3.12Å
362A83.2Confident78.1Confident9 Ų9106.5 Ų106.57%0.07452%0.524CS..Hα-helixtrans-56.5-40.7176.500000112M358 R359 F365 N366 E367 T369M358-A362 WeakPolarHBondContact O-CB 3.44Å; M358-A362 PolarHBondContact O-N 2.85Å; R359-A362 PolarHBondContact O-N 2.66Å; A362-F365 PolarHBondContact O-N 3.28Å; A362-N366 PolarHBondContact O-N 3.5Å; A362-N366 VanDerWaalsContact O-N 3.16Å; A362-E367 CarbonylContact C-O 3.48Å; A362-E367 WeakPolarHBondContact CB-O 3.41Å; A362-E367 PolarHBondContact O-N 3.12Å; A362-E367 VanDerWaalsContact O-O 3.04Å; A362-T369 WeakPolarHBondContact CB-OG1 3.3Å
363K82.9Confident77.4Confident164 Ų164106.8 Ų106.871%0.71354%0.54SS*.Hα-helixtrans-66.7-36175.5-171.2178179.6-177.30113.1R359 L360 F361 F365 N366R359-K363 WeakPolarHBondContact O-CB 3.46Å; R359-K363 PolarHBondContact O-N 3.49Å; L360-K363 PolarHBondContact O-N 3.09Å; F361-K363 VanDerWaalsContact C-N 3.25Å; F361-K363 PolarHBondContact O-N 3.03Å; K363-F365 VanDerWaalsContact C-N 3.34Å; K363-N366 PolarHBondContact O-N 3.47Å
364E79.9Confident76.5Confident139 Ų139108.5 Ų108.565%0.6555%0.548SS*.Hα-helixtrans-67.1-35.7178-172.2173.2-173.700112.2L360 F361L360-E364 PolarHBondContact O-N 3.42Å; F361-E364 WeakPolarHBondContact O-CB 3.11Å; F361-E364 PolarHBondContact O-N 2.78Å
365F75.7Confident75.8Confident145 Ų145110.6 Ų110.664%0.63656%0.557SS**THydrogen-bonded Turntrans-93.25.9178.7-68.2-78.9000114.1F361 A362 K363 E367F361-F365 VanDerWaalsContact O-CD2 3.27Å; F361-F365 WeakPolarHBondContact O-CD2 3.4Å; F361-F365 PolarHBondContact O-N 3.1Å; F361-F365 VanDerWaalsContact O-N 3.12Å; A362-F365 PolarHBondContact O-N 3.28Å; K363-F365 VanDerWaalsContact C-N 3.34Å; F365-E367 HydrophobicContact CB-CB 4.46Å; F365-E367 PolarHBondContact O-N 3.28Å; F365-E367 VanDerWaalsContact O-N 3.17Å
366N72.1Confident74.9Confident155 Ų155105 Ų10583%0.82954%0.54SS*.THydrogen-bonded Turntrans5130.3-172.3-69.6-47.1000113.6A362 K363A362-N366 PolarHBondContact O-N 3.5Å; A362-N366 VanDerWaalsContact O-N 3.16Å; K363-N366 PolarHBondContact O-N 3.47Å
367E73.2Confident74.4Confident135 Ų135106 Ų10663%0.63155%0.55SS**  trans-104.1143.4-178.5-161.3177.4179.400109.8A362 F365 T369A362-E367 CarbonylContact C-O 3.48Å; A362-E367 WeakPolarHBondContact CB-O 3.41Å; A362-E367 PolarHBondContact O-N 3.12Å; A362-E367 VanDerWaalsContact O-O 3.04Å; F365-E367 HydrophobicContact CB-CB 4.46Å; F365-E367 PolarHBondContact O-N 3.28Å; F365-E367 VanDerWaalsContact O-N 3.17Å; E367-T369 PolarHBondContact O-N 3.11Å
368P70.5Confident73.9Confident110 Ų110106 Ų10671%0.71456%0.563SS**PPolyproline II helixtrans-60.9132.1174.923.3-34.4000111.3P370P368-P370 WeakPolarHBondContact O-CD 3.39Å
369T73.7Confident73.6Confident54 Ų54105.6 Ų105.633%0.33157%0.569SS.*PPolyproline II helixtrans-56.8126.3172.7-50.30000109.5M358 R359 A362 E367 K371M358-T369 HydrophobicContact CB-CG2 4.43Å; R359-T369 HydrophobicContact CG-CG2 3.73Å; A362-T369 WeakPolarHBondContact CB-OG1 3.3Å; E367-T369 PolarHBondContact O-N 3.11Å; T369-K371 PolarHBondContact O-N 3.41Å
370P65.1Low73.3Confident87 Ų87105.1 Ų105.157%0.56557%0.572SS**PPolyproline II helixtrans-54.6125179.6-26.834.5000110.6M358 P368M358-P370 HydrophobicContact CE-CG 3.6Å; P368-P370 WeakPolarHBondContact O-CD 3.39Å
371K67.1Low73.1Confident190 Ų190106.2 Ų106.283%0.82657%0.57SS**PPolyproline II helixtrans-60.6140.1173.1-67.5179.6-178.2175.10107.7T369 G373T369-K371 PolarHBondContact O-N 3.41Å; K371-G373 PolarHBondContact O-N 3.47Å
372P66.3Low72.9Confident104 Ų104107 Ų10768%0.67558%0.575SS**  trans-54.2113.9173.622.4-31.3000108.2V374P372-V374 PolarHBondContact O-N 3.16Å
373G59.5Low72.7Confident65 Ų65111.4 Ų111.467%0.6760%0.596SS**  trans-57.2137.9-175.700000110.4K371 K375K371-G373 PolarHBondContact O-N 3.47Å; G373-K375 PolarHBondContact O-N 3.49Å
374V63.3Low72.5Confident95 Ų95108.3 Ų108.358%0.57658%0.584SS**  trans-55.6127.3173.2-177.60000107.8P372 S376 R381P372-V374 PolarHBondContact O-N 3.16Å; V374-S376 WeakPolarHBondContact CG1-OG 3.31Å; V374-S376 PolarHBondContact O-N 3.45Å; V374-S376 VanDerWaalsContact O-N 3.12Å; V374-R381 VanDerWaalsContact CB-NH2 3.34Å
375K67.9Low72.5Confident211 Ų211107.5 Ų107.592%0.91758%0.582SS**SBendtrans-66.7-9.7-174.3-66.6-178.1177.8-178.60114G373G373-K375 PolarHBondContact O-N 3.49Å
376S65.3Low72.5Confident24 Ų24105.1 Ų105.117%0.16858%0.576CS.*SBendtrans-94.4127.8172.751.70000110.4V374V374-S376 WeakPolarHBondContact CG1-OG 3.31Å; V374-S376 PolarHBondContact O-N 3.45Å; V374-S376 VanDerWaalsContact O-N 3.12Å
377S73.6Confident72.6Confident70 Ų70103.1 Ų103.149%0.4956%0.564SS.*  trans-53.6149.9168171.40000109.8A379 Q380 R381S377-A379 PolarHBondContact O-N 3.48Å; S377-A379 PolarHBondContact OG-N 3.01Å; S377-Q380 WeakPolarHBondContact O-CA 3.33Å; S377-Q380 WeakPolarHBondContact O-CB 3.33Å; S377-Q380 PolarHBondContact O-N 3.35Å; S377-R381 PolarHBondContact O-N 3.07Å
378S75.3Confident72.5Confident98 Ų98103.1 Ų103.169%0.68557%0.569SS**Hα-helixtrans-51.6-40.9176.2-165.40000111.5Q380 R381 E382S378-Q380 VanDerWaalsContact C-N 3.33Å; S378-Q380 PolarHBondContact O-N 3.09Å; S378-R381 PolarHBondContact O-N 3.32Å; S378-E382 PolarHBondContact O-N 3.42Å; S378-E382 VanDerWaalsContact O-N 3.11Å
379A78.3Confident72.5Confident53 Ų53104 Ų10444%0.43857%0.566SS.*Hα-helixtrans-65.3-35.8175.800000112.7S377 E382 I383S377-A379 PolarHBondContact O-N 3.48Å; S377-A379 PolarHBondContact OG-N 3.01Å; A379-E382 PolarHBondContact O-N 2.86Å; A379-I383 WeakPolarHBondContact O-CD1 3.37Å; A379-I383 VanDerWaalsContact O-CG1 3.26Å; A379-I383 WeakPolarHBondContact O-CG1 3.39Å; A379-I383 PolarHBondContact O-N 3.49Å
380Q78.5Confident72Confident102 Ų102106.6 Ų106.648%0.47759%0.586SS.*Hα-helixtrans-71.5-38-179.5-153.8161.49.800111S377 S378 E382 I383 E384S377-Q380 WeakPolarHBondContact O-CA 3.33Å; S377-Q380 WeakPolarHBondContact O-CB 3.33Å; S377-Q380 PolarHBondContact O-N 3.35Å; S378-Q380 VanDerWaalsContact C-N 3.33Å; S378-Q380 PolarHBondContact O-N 3.09Å; Q380-E382 VanDerWaalsContact C-N 3.34Å; Q380-I383 PolarHBondContact O-N 3.42Å; Q380-E384 WeakPolarHBondContact O-CG 3.42Å; Q380-E384 PolarHBondContact O-N 3.48Å
381R80.5Confident71.3Confident113 Ų113116.3 Ų116.343%0.42661%0.612SS.*Hα-helixtrans-63.2-40.2172-162.8-176-58.3164.38.3111.8V374 S377 S378 E384 M385V374-R381 VanDerWaalsContact CB-NH2 3.34Å; S377-R381 PolarHBondContact O-N 3.07Å; S378-R381 PolarHBondContact O-N 3.32Å; R381-E384 PolarHBondContact O-N 2.95Å; R381-M385 VanDerWaalsContact O-CG 3.31Å; R381-M385 WeakPolarHBondContact O-CG 3.47Å; R381-M385 PolarHBondContact O-N 3Å
382E79.3Confident71.5Confident124 Ų124112.7 Ų112.758%0.57960%0.601SS**Hα-helixtrans-64.1-44.5176.7-172.7178.9173.700112.1S378 A379 Q380 M385 N386S378-E382 PolarHBondContact O-N 3.42Å; S378-E382 VanDerWaalsContact O-N 3.11Å; A379-E382 PolarHBondContact O-N 2.86Å; Q380-E382 VanDerWaalsContact C-N 3.34Å; E382-M385 PolarHBondContact O-N 3.17Å; E382-N386 PolarHBondContact O-N 3.03Å; E382-N386 VanDerWaalsContact O-N 3.09Å
383I78.5Confident71.8Confident102 Ų102113.1 Ų113.152%0.52360%0.597SS.*Hα-helixtrans-62-45176.3-67.2163.1000111.2A379 Q380 M385 N386 L387A379-I383 WeakPolarHBondContact O-CD1 3.37Å; A379-I383 VanDerWaalsContact O-CG1 3.26Å; A379-I383 WeakPolarHBondContact O-CG1 3.39Å; A379-I383 PolarHBondContact O-N 3.49Å; Q380-I383 PolarHBondContact O-N 3.42Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-M385 PolarHBondContact O-N 3.43Å; I383-N386 PolarHBondContact O-N 3.2Å; I383-L387 HydrophobicContact CG2-CD1 3.68Å; I383-L387 HydrophobicContact CG2-CG 4.49Å; I383-L387 WeakPolarHBondContact O-CB 3.46Å; I383-L387 WeakPolarHBondContact O-CD1 3.26Å; I383-L387 WeakPolarHBondContact O-CG 3.47Å; I383-L387 PolarHBondContact O-N 3.34Å
384E79.3Confident72.5Confident98 Ų98115.8 Ų115.846%0.45859%0.593SS.*Hα-helixtrans-62-37.6177.7-74.8170.6-166.700112.5Q380 R381 N388Q380-E384 WeakPolarHBondContact O-CG 3.42Å; Q380-E384 PolarHBondContact O-N 3.48Å; R381-E384 PolarHBondContact O-N 2.95Å; E384-N388 PolarHBondContact O-N 3.35Å
385M78.8Confident73Confident123 Ų123117 Ų11761%0.60659%0.594SS**Hα-helixtrans-67.6-42.1176.2-70-172.892.400112R381 E382 I383 N388 I389R381-M385 VanDerWaalsContact O-CG 3.31Å; R381-M385 WeakPolarHBondContact O-CG 3.47Å; R381-M385 PolarHBondContact O-N 3Å; E382-M385 PolarHBondContact O-N 3.17Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-M385 PolarHBondContact O-N 3.43Å; M385-N388 PolarHBondContact O-N 2.96Å; M385-I389 VanDerWaalsContact O-CD1 3.3Å; M385-I389 WeakPolarHBondContact O-CD1 3.47Å; M385-I389 WeakPolarHBondContact O-CG1 3.5Å; M385-I389 PolarHBondContact O-N 3.31Å
386N75.9Confident73.3Confident95 Ų95111.1 Ų111.151%0.50857%0.574SS.*Hα-helixtrans-69.5-33.9178.3-70-22.4000112.6E382 I383 N388 I389E382-N386 PolarHBondContact O-N 3.03Å; E382-N386 VanDerWaalsContact O-N 3.09Å; I383-N386 PolarHBondContact O-N 3.2Å; N386-N388 VanDerWaalsContact C-N 3.33Å; N386-I389 PolarHBondContact O-N 3.43Å
387L75.6Confident73.9Confident112 Ų112116.9 Ų116.959%0.58660%0.601SS**Hα-helixtrans-65-36173.9-83158.7000112.5I383 I389 S390I383-L387 HydrophobicContact CG2-CD1 3.68Å; I383-L387 HydrophobicContact CG2-CG 4.49Å; I383-L387 WeakPolarHBondContact O-CB 3.46Å; I383-L387 WeakPolarHBondContact O-CD1 3.26Å; I383-L387 WeakPolarHBondContact O-CG 3.47Å; I383-L387 PolarHBondContact O-N 3.34Å; L387-I389 VanDerWaalsContact C-N 3.27Å; L387-I389 PolarHBondContact O-N 3.49Å; L387-S390 PolarHBondContact O-N 3.31Å
388N70.8Confident73.9Confident135 Ų135120.3 Ų120.372%0.72261%0.609SS**THydrogen-bonded Turntrans-77.4-9.8179.7-76.75.1000113.9E384 M385 N386E384-N388 PolarHBondContact O-N 3.35Å; M385-N388 PolarHBondContact O-N 2.96Å; N386-N388 VanDerWaalsContact C-N 3.33Å
389I71.2Confident73.8Confident129 Ų129122 Ų12266%0.66260%0.603SS**THydrogen-bonded Turntrans-91.9-13.6177.4-68.1159.7000111.7M385 N386 L387M385-I389 VanDerWaalsContact O-CD1 3.3Å; M385-I389 WeakPolarHBondContact O-CD1 3.47Å; M385-I389 WeakPolarHBondContact O-CG1 3.5Å; M385-I389 PolarHBondContact O-N 3.31Å; N386-I389 PolarHBondContact O-N 3.43Å; L387-I389 VanDerWaalsContact C-N 3.27Å; L387-I389 PolarHBondContact O-N 3.49Å
390S61.2Low73.4Confident108 Ų108127.8 Ų127.876%0.75562%0.617SS**  trans-10319.6-178.2-56.20000114.8L387L387-S390 PolarHBondContact O-N 3.31Å
391R51.4Low72.9Confident292 Ų292130.1 Ų130.1100%1.10263%0.63SS**  trans-118.40165.2-82.3-169.9179.4-1771.1109.1

Retrieved 391 of 391 residues in 69.5 ms (Link to these results)