A0A087XNE7_POEFO Loading...

Small ribosomal subunit protein mS27

AlphaFold DB , UniProt , Accession A0A087XNE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 362 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
1M65.5Low84.9Confident210 Ų21079 Ų79100%1.03439%0.392SS*.  0-46.20-79.9-162.5-160.900113.1L5M1-L5 PolarHBondContact O-N 3.28Å
2L78.2Confident85.3Confident48 Ų4886.8 Ų86.825%0.25141%0.413SS..Hα-helixtrans-73.2-41.4179.7-71.5168.6000113.5N4 L5 M6 R23 F24L2-N4 PolarHBondContact O-N 3.13Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.27Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L2-M6 WeakPolarHBondContact O-CG 3.39Å; L2-M6 PolarHBondContact O-N 2.83Å; L2-R23 HydrophobicContact CD1-CB 4.17Å; L2-F24 HydrophobicContact CB-CD2 4.19Å
3A81.6Confident85.4Confident16 Ų1691.6 Ų91.613%0.13244%0.443CS..Hα-helixtrans-51.2-56.6172.400000112.2L5 M6 D7 F24 Y40A3-L5 PolarHBondContact O-N 3.24Å; A3-L5 VanDerWaalsContact O-N 3.16Å; A3-M6 WeakPolarHBondContact O-CA 3.44Å; A3-M6 WeakPolarHBondContact O-CB 3.45Å; A3-M6 PolarHBondContact O-N 3.45Å; A3-D7 PolarHBondContact O-N 3.39Å; A3-F24 HydrophobicContact CB-CE2 4.18Å; A3-Y40 WeakPolarHBondContact CA-OH 3.36Å; A3-Y40 HydrophobicContact CB-CE2 3.91Å; A3-Y40 VanDerWaalsContact CB-OH 3.28Å; A3-Y40 WeakPolarHBondContact CB-OH 3.4Å
4N86.6Confident85.5Confident105 Ų10593.9 Ų93.956%0.56145%0.45SS*.Hα-helixtrans-59.7-30177.2-595.9000113.8L2 R8L2-N4 PolarHBondContact O-N 3.13Å; N4-R8 WeakPolarHBondContact O-CB 3.39Å; N4-R8 WeakPolarHBondContact O-CG 3.2Å; N4-R8 PolarHBondContact O-N 2.94Å; N4-R8 VanDerWaalsContact O-N 3.15Å
5L87.7Confident85.8Confident84 Ų8491.9 Ų91.944%0.4445%0.448SS..Hα-helixtrans-68.4-45.8174.7178.770.2000110.1M1 L2 A3 R8 T9 T20M1-L5 PolarHBondContact O-N 3.28Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.27Å; L2-L5 VanDerWaalsContact O-N 3.09Å; A3-L5 PolarHBondContact O-N 3.24Å; A3-L5 VanDerWaalsContact O-N 3.16Å; L5-R8 PolarHBondContact O-N 3.16Å; L5-T9 PolarHBondContact O-N 3.05Å; L5-T9 PolarHBondContact O-OG1 3.5Å; L5-T9 VanDerWaalsContact O-OG1 3.1Å; L5-T20 HydrophobicContact CD2-CG2 4.34Å
6M87.8Confident86Confident2 Ų286.4 Ų86.41%0.0142%0.421CS..Hα-helixtrans-62.6-45.8177.9-69.8179.366.600111.2L2 A3 R8 T9 Y10 V16 I21 Y40L2-M6 WeakPolarHBondContact O-CG 3.39Å; L2-M6 PolarHBondContact O-N 2.83Å; A3-M6 WeakPolarHBondContact O-CA 3.44Å; A3-M6 WeakPolarHBondContact O-CB 3.45Å; A3-M6 PolarHBondContact O-N 3.45Å; M6-R8 PolarHBondContact O-N 3.08Å; M6-T9 VanDerWaalsContact C-OG1 3.31Å; M6-T9 VanDerWaalsContact CA-OG1 3.26Å; M6-T9 WeakPolarHBondContact CA-OG1 3.3Å; M6-T9 PolarHBondContact O-N 3.28Å; M6-T9 VanDerWaalsContact O-N 3.11Å; M6-T9 PolarHBondContact O-OG1 3.45Å; M6-Y10 HydrophobicContact CB-CD2 4.31Å; M6-Y10 HydrophobicContact CB-CE2 3.95Å; M6-Y10 HydrophobicContact CE-CE2 4.09Å; M6-Y10 WeakPolarHBondContact O-CD2 3.39Å; M6-Y10 PolarHBondContact O-N 2.8Å; M6-V16 HydrophobicContact CE-CG1 4.1Å; M6-V16 HydrophobicContact CG-CG1 4.14Å; M6-I21 HydrophobicContact CE-CD1 4.06Å; M6-I21 HydrophobicContact CE-CG1 3.36Å; M6-I21 HydrophobicContact SD-CG1 4.17Å; M6-Y40 HydrophobicContact CB-CD1 4.24Å; M6-Y40 HydrophobicContact CB-CE1 4.02Å; M6-Y40 HydrophobicContact CE-CD1 3.75Å; M6-Y40 HydrophobicContact CE-CG 4.01Å; M6-Y40 HydrophobicContact SD-CD1 4.29Å; M6-Y40 HydrophobicContact SD-CG 4.44Å
7D90.9Very high86.2Confident41 Ų4184.2 Ų84.222%0.21942%0.417CS..Hα-helixtrans-60.1-46177-66.8-37.1000111.6A3 T9 Y10 D11 Y40 K43A3-D7 PolarHBondContact O-N 3.39Å; D7-T9 VanDerWaalsContact C-N 3.27Å; D7-T9 PolarHBondContact O-N 3.19Å; D7-Y10 PolarHBondContact O-N 2.97Å; D7-Y10 VanDerWaalsContact O-N 3.13Å; D7-D11 WeakPolarHBondContact O-CB 3.13Å; D7-D11 PolarHBondContact O-N 3.44Å; D7-Y40 WeakPolarHBondContact OD1-CE1 3.39Å; D7-Y40 PolarHBondContact OD1-OH 3.39Å; D7-Y40 PolarHBondContact OD2-OH 3.41Å; D7-K43 IonicContact OD1-NZ 2.62Å
8R89.7Confident86.5Confident165 Ų16580.4 Ų80.462%0.62340%0.4SS*.Hα-helixtrans-59.6-34.9174.9-75.9174.1176.5-170.1-0.1113.5N4 L5 M6 R12N4-R8 WeakPolarHBondContact O-CB 3.39Å; N4-R8 WeakPolarHBondContact O-CG 3.2Å; N4-R8 PolarHBondContact O-N 2.94Å; N4-R8 VanDerWaalsContact O-N 3.15Å; L5-R8 PolarHBondContact O-N 3.16Å; M6-R8 PolarHBondContact O-N 3.08Å; R8-R12 WeakPolarHBondContact O-CB 3.46Å; R8-R12 WeakPolarHBondContact O-CD 3.28Å; R8-R12 WeakPolarHBondContact O-CG 3.4Å; R8-R12 PolarHBondContact O-N 3.23Å
9T87.9Confident86.7Confident34 Ų3476.5 Ų76.521%0.20938%0.38CS..Hα-helixtrans-73.2-39.4176.442.80000111.7L5 M6 D7 R12 N13 F14 V16L5-T9 PolarHBondContact O-N 3.05Å; L5-T9 PolarHBondContact O-OG1 3.5Å; L5-T9 VanDerWaalsContact O-OG1 3.1Å; M6-T9 VanDerWaalsContact C-OG1 3.31Å; M6-T9 VanDerWaalsContact CA-OG1 3.26Å; M6-T9 WeakPolarHBondContact CA-OG1 3.3Å; M6-T9 PolarHBondContact O-N 3.28Å; M6-T9 VanDerWaalsContact O-N 3.11Å; M6-T9 PolarHBondContact O-OG1 3.45Å; D7-T9 VanDerWaalsContact C-N 3.27Å; D7-T9 PolarHBondContact O-N 3.19Å; T9-R12 CarbonylContact O-C 3.56Å; T9-R12 PolarHBondContact O-N 2.71Å; T9-N13 PolarHBondContact O-N 2.91Å; T9-F14 PolarHBondContact O-N 3.42Å; T9-V16 WeakPolarHBondContact OG1-CG2 3.3Å
10Y87.8Confident86.9Confident34 Ų3473.4 Ų73.413%0.13337%0.365CS..Hα-helixtrans-66.5-44.3175.7-68.8-56.3000111.9M6 D7 R12 N13 V16 Y40 K43 F44M6-Y10 HydrophobicContact CB-CD2 4.31Å; M6-Y10 HydrophobicContact CB-CE2 3.95Å; M6-Y10 HydrophobicContact CE-CE2 4.09Å; M6-Y10 WeakPolarHBondContact O-CD2 3.39Å; M6-Y10 PolarHBondContact O-N 2.8Å; D7-Y10 PolarHBondContact O-N 2.97Å; D7-Y10 VanDerWaalsContact O-N 3.13Å; Y10-R12 PolarHBondContact O-N 3.36Å; Y10-R12 VanDerWaalsContact O-N 3.17Å; Y10-N13 WeakPolarHBondContact O-CA 3.48Å; Y10-N13 PolarHBondContact O-N 2.86Å; Y10-N13 PolarHBondContact O-OD1 3.4Å; Y10-V16 HydrophobicContact CD1-CG2 4.1Å; Y10-V16 HydrophobicContact CD2-CG2 4.49Å; Y10-V16 HydrophobicContact CE1-CB 4.48Å; Y10-V16 HydrophobicContact CE1-CG2 3.57Å; Y10-V16 HydrophobicContact CE2-CG2 4Å; Y10-V16 VanDerWaalsContact CZ-CG2 3.5Å; Y10-Y40 HydrophobicContact CE2-CD1 4.25Å; Y10-K43 HydrophobicContact CD2-CD 4.04Å; Y10-K43 HydrophobicContact CE1-CB 4.37Å; Y10-K43 HydrophobicContact CE2-CB 4.11Å; Y10-K43 HydrophobicContact CE2-CD 4.08Å; Y10-F44 PolarHBondContact OH-N 2.99Å
11D89.8Confident87.1Confident130 Ų13070 Ų7070%0.69535%0.349SS*.Hα-helixtrans-59.9-29.1176.9-65.8-20.6000112.4D7D7-D11 WeakPolarHBondContact O-CB 3.13Å; D7-D11 PolarHBondContact O-N 3.44Å
12R90.3Very high88.5Confident173 Ų17360 Ų6065%0.65330%0.299SS*.THydrogen-bonded Turntrans-91.94.2177-66.6175.6-178.8-163-1.7113.2R8 T9 Y10 F14R8-R12 WeakPolarHBondContact O-CB 3.46Å; R8-R12 WeakPolarHBondContact O-CD 3.28Å; R8-R12 WeakPolarHBondContact O-CG 3.4Å; R8-R12 PolarHBondContact O-N 3.23Å; T9-R12 CarbonylContact O-C 3.56Å; T9-R12 PolarHBondContact O-N 2.71Å; Y10-R12 PolarHBondContact O-N 3.36Å; Y10-R12 VanDerWaalsContact O-N 3.17Å; R12-F14 HydrophobicContact CB-CD2 3.44Å; R12-F14 VanDerWaalsContact CB-CD2 3.44Å; R12-F14 HydrophobicContact CB-CE2 3.81Å; R12-F14 HydrophobicContact CB-CG 4.48Å; R12-F14 HydrophobicContact CG-CD2 4.49Å; R12-F14 PolarHBondContact O-N 3.39Å
13N86.1Confident89.1Confident149 Ų14960.7 Ų60.780%0.79730%0.299SS*.THydrogen-bonded Turntrans54.230.4-175.6-61.1-32.3000114T9 Y10T9-N13 PolarHBondContact O-N 2.91Å; Y10-N13 WeakPolarHBondContact O-CA 3.48Å; Y10-N13 PolarHBondContact O-N 2.86Å; Y10-N13 PolarHBondContact O-OD1 3.4Å
14F87.6Confident89.6Confident123 Ų12361 Ų6154%0.53930%0.297SS..PPolyproline II helixtrans-92.3147.1175.4-74.8-60.5000111.6T9 R12 V16T9-F14 PolarHBondContact O-N 3.42Å; R12-F14 HydrophobicContact CB-CD2 3.44Å; R12-F14 VanDerWaalsContact CB-CD2 3.44Å; R12-F14 HydrophobicContact CB-CE2 3.81Å; R12-F14 HydrophobicContact CB-CG 4.48Å; R12-F14 HydrophobicContact CG-CD2 4.49Å; R12-F14 PolarHBondContact O-N 3.39Å; F14-V16 PolarHBondContact O-N 2.86Å
15P89.2Confident89.9Confident65 Ų6556.1 Ų56.142%0.42227%0.271SS..PPolyproline II helixtrans-70.3133.7179.529.8-34.9000110.9
16V88.7Confident90.1Very high3 Ų354.2 Ų54.22%0.01826%0.261CS..PPolyproline II helixtrans-83.3143.5175.6-178.20000109.9M6 T9 Y10 F14 T20 I21 F44 N49M6-V16 HydrophobicContact CE-CG1 4.1Å; M6-V16 HydrophobicContact CG-CG1 4.14Å; T9-V16 WeakPolarHBondContact OG1-CG2 3.3Å; Y10-V16 HydrophobicContact CD1-CG2 4.1Å; Y10-V16 HydrophobicContact CD2-CG2 4.49Å; Y10-V16 HydrophobicContact CE1-CB 4.48Å; Y10-V16 HydrophobicContact CE1-CG2 3.57Å; Y10-V16 HydrophobicContact CE2-CG2 4Å; Y10-V16 VanDerWaalsContact CZ-CG2 3.5Å; F14-V16 PolarHBondContact O-N 2.86Å; V16-T20 WeakPolarHBondContact CG1-OG1 3.45Å; V16-I21 HydrophobicContact CB-CD1 4.5Å; V16-I21 HydrophobicContact CG1-CD1 3.87Å; V16-I21 HydrophobicContact CG1-CG1 4.31Å; V16-F44 HydrophobicContact CB-CD2 4.37Å; V16-F44 WeakPolarHBondContact O-CE2 3.31Å; V16-N49 WeakPolarHBondContact O-CB 3.27Å; V16-N49 PolarHBondContact O-ND2 3.48Å
17S90.2Very high90.2Very high50 Ų5058.9 Ų58.935%0.3529%0.286SS..PPolyproline II helixtrans-76.6142.5176.91800000111L19 T20S17-L19 PolarHBondContact O-N 3.39Å; S17-L19 PolarHBondContact OG-N 3.12Å; S17-T20 PolarHBondContact N-OG1 3Å; S17-T20 PolarHBondContact O-N 3.25Å; S17-T20 VanDerWaalsContact O-N 3.13Å; S17-T20 PolarHBondContact O-OG1 2.77Å
18S90.9Very high90.3Very high15 Ų1557.1 Ų57.111%0.10528%0.277CS..Hα-helixtrans-62.3-28.5173.656.60000112.5T20 I21 S22 Y52S18-T20 VanDerWaalsContact C-N 3.34Å; S18-T20 PolarHBondContact O-N 3.06Å; S18-I21 PolarHBondContact O-N 3.01Å; S18-S22 PolarHBondContact O-N 3.38Å; S18-Y52 WeakPolarHBondContact CB-O 3.46Å; S18-Y52 PolarHBondContact OG-O 3.07Å
19L90.8Very high90.3Very high7 Ų753.2 Ų53.24%0.03728%0.275CS..Hα-helixtrans-64.5-35.6174.5-66179.3000113.2S17 I21 S22 R23 L335 E339S17-L19 PolarHBondContact O-N 3.39Å; S17-L19 PolarHBondContact OG-N 3.12Å; L19-I21 VanDerWaalsContact C-N 3.3Å; L19-S22 PolarHBondContact O-OG 3.23Å; L19-S22 VanDerWaalsContact O-OG 3.07Å; L19-R23 WeakPolarHBondContact O-CB 3.5Å; L19-R23 WeakPolarHBondContact O-CG 3.42Å; L19-R23 PolarHBondContact O-N 3.01Å; L19-L335 HydrophobicContact CD1-CB 3.74Å; L19-L335 HydrophobicContact CD2-CB 3.73Å; L19-L335 HydrophobicContact CD2-CD1 3.91Å; L19-L335 HydrophobicContact CD2-CG 4.5Å; L19-L335 HydrophobicContact CG-CB 4.11Å; L19-E339 HydrophobicContact CD1-CB 4.44Å
20T90.9Very high90.4Very high13 Ų1353.5 Ų53.58%0.0828%0.278CS..Hα-helixtrans-68.1-35.9179.736.40000111.2L5 V16 S17 S18 F24L5-T20 HydrophobicContact CD2-CG2 4.34Å; V16-T20 WeakPolarHBondContact CG1-OG1 3.45Å; S17-T20 PolarHBondContact N-OG1 3Å; S17-T20 PolarHBondContact O-N 3.25Å; S17-T20 VanDerWaalsContact O-N 3.13Å; S17-T20 PolarHBondContact O-OG1 2.77Å; S18-T20 VanDerWaalsContact C-N 3.34Å; S18-T20 PolarHBondContact O-N 3.06Å; T20-F24 WeakPolarHBondContact O-CB 3.36Å; T20-F24 PolarHBondContact O-N 3.09Å
21I91.9Very high90.5Very high2 Ų255.9 Ų55.91%0.0129%0.287CS..Hα-helixtrans-74.8-42.4175.8-70141.4000111.2M6 V16 S18 L19 R23 F24 V25 L41 F44 T57M6-I21 HydrophobicContact CE-CD1 4.06Å; M6-I21 HydrophobicContact CE-CG1 3.36Å; M6-I21 HydrophobicContact SD-CG1 4.17Å; V16-I21 HydrophobicContact CB-CD1 4.5Å; V16-I21 HydrophobicContact CG1-CD1 3.87Å; V16-I21 HydrophobicContact CG1-CG1 4.31Å; S18-I21 PolarHBondContact O-N 3.01Å; L19-I21 VanDerWaalsContact C-N 3.3Å; I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 3.4Å; I21-F24 WeakPolarHBondContact O-CA 3.32Å; I21-F24 WeakPolarHBondContact O-CB 3.49Å; I21-F24 PolarHBondContact O-N 3.01Å; I21-V25 HydrophobicContact CG2-CG2 4.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.3Å; I21-V25 PolarHBondContact O-N 3.13Å; I21-L41 HydrophobicContact CG2-CD2 3.77Å; I21-F44 HydrophobicContact CD1-CB 3.62Å; I21-F44 HydrophobicContact CD1-CD1 3.75Å; I21-F44 HydrophobicContact CD1-CD2 2.92Å; I21-F44 HydrophobicContact CD1-CE1 4.05Å; I21-F44 HydrophobicContact CD1-CE2 3.26Å; I21-F44 HydrophobicContact CD1-CG 3.14Å; I21-F44 HydrophobicContact CD1-CZ 3.82Å; I21-F44 HydrophobicContact CG1-CB 4.47Å; I21-F44 HydrophobicContact CG1-CD2 4.34Å; I21-F44 HydrophobicContact CG1-CG 4.35Å; I21-T57 HydrophobicContact CG2-CG2 4.14Å
22S92.9Very high90.4Very high0 Ų056.5 Ų56.50%029%0.286CS..Hα-helixtrans-58.5-43.3175.879.20000111S18 L19 F24 V25 D26 T57S18-S22 PolarHBondContact O-N 3.38Å; L19-S22 PolarHBondContact O-OG 3.23Å; L19-S22 VanDerWaalsContact O-OG 3.07Å; S22-F24 VanDerWaalsContact C-N 3.32Å; S22-F24 PolarHBondContact O-N 3.42Å; S22-V25 PolarHBondContact O-N 2.88Å; S22-D26 WeakPolarHBondContact O-CB 3.46Å; S22-D26 PolarHBondContact O-N 3.09Å; S22-D26 VanDerWaalsContact O-OD2 3.12Å; S22-T57 VanDerWaalsContact CB-OG1 3.24Å; S22-T57 WeakPolarHBondContact CB-OG1 3.31Å
23R92.3Very high90.4Very high63 Ų6351.3 Ų51.324%0.23827%0.269CS..Hα-helixtrans-63-36.9173.7-72.8170.5-178.7154.75.7112.5L2 L19 I21 N27 E339L2-R23 HydrophobicContact CD1-CB 4.17Å; L19-R23 WeakPolarHBondContact O-CB 3.5Å; L19-R23 WeakPolarHBondContact O-CG 3.42Å; L19-R23 PolarHBondContact O-N 3.01Å; I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 3.4Å; R23-N27 WeakPolarHBondContact O-CB 3.35Å; R23-N27 PolarHBondContact O-N 3.1Å; R23-N27 PolarHBondContact O-ND2 3.28Å; R23-E339 IonicContact CZ-OE2 3.18Å; R23-E339 VanDerWaalsContact CZ-OE2 3.26Å; R23-E339 IonicContact NH1-OE1 3.13Å; R23-E339 PolarHBondContact NH1-OE1 2.97Å; R23-E339 IonicContact NH1-OE2 2.78Å; R23-E339 PolarHBondContact NH1-OE2 3.04Å; R23-E339 IonicContact NH2-OE2 2.79Å; R23-E339 PolarHBondContact NH2-OE2 3.5Å
24F92.4Very high90.6Very high24 Ų2444.2 Ų44.211%0.10523%0.231CC..Hα-helixtrans-64.9-47.1177.3-171.1-96000110.8L2 A3 T20 I21 S22 N27 Q36 A37 Y40L2-F24 HydrophobicContact CB-CD2 4.19Å; A3-F24 HydrophobicContact CB-CE2 4.18Å; T20-F24 WeakPolarHBondContact O-CB 3.36Å; T20-F24 PolarHBondContact O-N 3.09Å; I21-F24 WeakPolarHBondContact O-CA 3.32Å; I21-F24 WeakPolarHBondContact O-CB 3.49Å; I21-F24 PolarHBondContact O-N 3.01Å; S22-F24 VanDerWaalsContact C-N 3.32Å; S22-F24 PolarHBondContact O-N 3.42Å; F24-N27 PolarHBondContact O-N 2.95Å; F24-Q36 HydrophobicContact CE1-CB 4.45Å; F24-Q36 HydrophobicContact CZ-CB 4.13Å; F24-A37 HydrophobicContact CD1-CB 4.07Å; F24-A37 HydrophobicContact CE1-CB 3.74Å; F24-Y40 HydrophobicContact CD1-CD2 4.29Å; F24-Y40 AromaticContact CE1-CD2 3.68Å; F24-Y40 HydrophobicContact CE1-CD2 3.68Å; F24-Y40 HydrophobicContact CE1-CE2 4.36Å; F24-Y40 HydrophobicContact CE2-CD2 4.26Å; F24-Y40 HydrophobicContact CE2-CE2 4.26Å; F24-Y40 AromaticContact CZ-CD2 3.66Å; F24-Y40 HydrophobicContact CZ-CD2 3.66Å; F24-Y40 AromaticContact CZ-CE2 3.87Å; F24-Y40 HydrophobicContact CZ-CE2 3.87Å
25V92.8Very high90.8Very high1 Ų142.2 Ų42.21%0.00623%0.226CC..Hα-helixtrans-67.4-37.3178.4177.90000112.1I21 S22 N27 I28 L41 T57 T60 W61I21-V25 HydrophobicContact CG2-CG2 4.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.3Å; I21-V25 PolarHBondContact O-N 3.13Å; S22-V25 PolarHBondContact O-N 2.88Å; V25-N27 VanDerWaalsContact C-N 3.28Å; V25-N27 PolarHBondContact O-N 3.21Å; V25-I28 HydrophobicContact CG1-CD1 4.25Å; V25-I28 WeakPolarHBondContact O-CD1 3.06Å; V25-I28 WeakPolarHBondContact O-CG1 2.93Å; V25-L41 HydrophobicContact CG2-CD1 4.49Å; V25-L41 HydrophobicContact CG2-CD2 4.37Å; V25-T57 HydrophobicContact CB-CG2 4.42Å; V25-T57 HydrophobicContact CG2-CG2 4.18Å; V25-T60 HydrophobicContact CG1-CG2 3.86Å; V25-W61 HydrophobicContact CG1-CB 3.94Å; V25-W61 HydrophobicContact CG1-CE3 4.39Å
26D90.8Very high90.9Very high44 Ų4443.5 Ų43.524%0.23523%0.226CC..Hα-helixtrans-63.2-35.1176-68.8-29.1000112.3S22 I28 T60 Q64 K332S22-D26 WeakPolarHBondContact O-CB 3.46Å; S22-D26 PolarHBondContact O-N 3.09Å; S22-D26 VanDerWaalsContact O-OD2 3.12Å; D26-I28 VanDerWaalsContact C-N 3.34Å; D26-I28 PolarHBondContact O-N 3.43Å; D26-T60 VanDerWaalsContact OD1-CG2 3.28Å; D26-T60 WeakPolarHBondContact OD1-CG2 3.27Å; D26-T60 PolarHBondContact OD1-OG1 3.14Å; D26-Q64 PolarHBondContact O-NE2 3.42Å; D26-K332 IonicContact OD2-NZ 2.87Å; D26-K332 PolarHBondContact OD2-NZ 3.46Å
27N90.9Very high91Very high101 Ų10143.4 Ų43.454%0.5423%0.225SC..THydrogen-bonded Turntrans-90.710.1-173.1-68.5-28.1000114.2R23 F24 V25 S29R23-N27 WeakPolarHBondContact O-CB 3.35Å; R23-N27 PolarHBondContact O-N 3.1Å; R23-N27 PolarHBondContact O-ND2 3.28Å; F24-N27 PolarHBondContact O-N 2.95Å; V25-N27 VanDerWaalsContact C-N 3.28Å; V25-N27 PolarHBondContact O-N 3.21Å; N27-S29 PolarHBondContact O-N 3.49Å; N27-S29 PolarHBondContact O-OG 3.1Å
28I92.5Very high91.2Very high4 Ų442.2 Ų42.22%0.02121%0.214CC..  trans-62.9123176.2-62.6170.9000109.2V25 D26 E33 V34 A37 W61 Q64 Y68V25-I28 HydrophobicContact CG1-CD1 4.25Å; V25-I28 WeakPolarHBondContact O-CD1 3.06Å; V25-I28 WeakPolarHBondContact O-CG1 2.93Å; D26-I28 VanDerWaalsContact C-N 3.34Å; D26-I28 PolarHBondContact O-N 3.43Å; I28-E33 HydrophobicContact CG2-CB 4.04Å; I28-V34 HydrophobicContact CG2-CG2 3.81Å; I28-A37 HydrophobicContact CD1-CB 3.57Å; I28-A37 HydrophobicContact CG1-CB 4.28Å; I28-W61 HydrophobicContact CD1-CE3 4.21Å; I28-W61 HydrophobicContact CD1-CZ3 4.11Å; I28-Q64 HydrophobicContact CB-CG 4.39Å; I28-Q64 HydrophobicContact CD1-CB 4.27Å; I28-Q64 HydrophobicContact CD1-CG 4.4Å; I28-Y68 HydrophobicContact CG2-CD2 4.06Å; I28-Y68 HydrophobicContact CG2-CE2 3.81Å; I28-Y68 PolarHBondContact O-OH 2.89Å; I28-Y68 VanDerWaalsContact O-OH 3.12Å
29S89.6Confident91.2Very high83 Ų8347.2 Ų47.258%0.5823%0.232SC*.  trans-116.9-23.3-175.6-60.60000112.6N27 E33 Y68N27-S29 PolarHBondContact O-N 3.49Å; N27-S29 PolarHBondContact O-OG 3.1Å; S29-E33 PolarHBondContact N-OE2 3.16Å; S29-Y68 VanDerWaalsContact C-CZ 3.42Å; S29-Y68 VanDerWaalsContact C-OH 3.22Å; S29-Y68 WeakPolarHBondContact CA-OH 3.43Å; S29-Y68 WeakPolarHBondContact O-CE1 3.26Å; S29-Y68 VanDerWaalsContact O-CZ 3.23Å; S29-Y68 PolarHBondContact O-OH 2.99Å
30S90.3Very high91.3Very high39 Ų3947.7 Ų47.727%0.27323%0.233SC..SBendtrans-133.2164.1-175.974.80000113.2E32 E33 V34S30-E32 VanDerWaalsContact C-N 3.32Å; S30-E32 PolarHBondContact O-N 3.2Å; S30-E33 PolarHBondContact O-N 2.91Å; S30-E33 VanDerWaalsContact OG-CG 3.31Å; S30-E33 WeakPolarHBondContact OG-CG 3.48Å; S30-E33 PolarHBondContact OG-N 3.38Å; S30-V34 PolarHBondContact O-N 3.22Å
31R89.7Confident91.4Very high85 Ų8547.3 Ų47.332%0.32123%0.23SC..Hα-helixtrans-64.1-35.9175.8-179.365.9172.3128.2-3.6112.5E33 V34 A70R31-E33 VanDerWaalsContact C-N 3.35Å; R31-V34 WeakPolarHBondContact O-CB 3.09Å; R31-V34 PolarHBondContact O-N 3.33Å; R31-V34 VanDerWaalsContact O-N 3.14Å; R31-A70 VanDerWaalsContact CZ-CA 3.45Å
32E88.3Confident91.5Very high143 Ų14351.7 Ų51.767%0.66825%0.247SC*.Hα-helixtrans-67.6-36.8178-63.6176.9-175.500111.4S30 V34 D35 Q36S30-E32 VanDerWaalsContact C-N 3.32Å; S30-E32 PolarHBondContact O-N 3.2Å; E32-V34 PolarHBondContact O-N 3.04Å; E32-D35 WeakPolarHBondContact O-CB 3.38Å; E32-D35 PolarHBondContact O-N 2.93Å; E32-Q36 PolarHBondContact O-N 3.46Å
33E89Confident91.4Very high63 Ų6354 Ų5429%0.29426%0.258SS..Hα-helixtrans-65.1-23.2173.3-74.4171-164.800112.2I28 S29 S30 R31 Q36 A37I28-E33 HydrophobicContact CG2-CB 4.04Å; S29-E33 PolarHBondContact N-OE2 3.16Å; S30-E33 PolarHBondContact O-N 2.91Å; S30-E33 VanDerWaalsContact OG-CG 3.31Å; S30-E33 WeakPolarHBondContact OG-CG 3.48Å; S30-E33 PolarHBondContact OG-N 3.38Å; R31-E33 VanDerWaalsContact C-N 3.35Å; E33-Q36 PolarHBondContact O-N 3.36Å; E33-A37 VanDerWaalsContact O-CB 3.28Å; E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 2.83Å
34V91.4Very high91.5Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-66.1-40170-172.10000110.7I28 S30 R31 E32 Q36 A37 E38 W61 Y68 A70 K73I28-V34 HydrophobicContact CG2-CG2 3.81Å; S30-V34 PolarHBondContact O-N 3.22Å; R31-V34 WeakPolarHBondContact O-CB 3.09Å; R31-V34 PolarHBondContact O-N 3.33Å; R31-V34 VanDerWaalsContact O-N 3.14Å; E32-V34 PolarHBondContact O-N 3.04Å; V34-Q36 VanDerWaalsContact C-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.99Å; V34-A37 PolarHBondContact O-N 3.45Å; V34-E38 WeakPolarHBondContact O-CB 3.46Å; V34-E38 PolarHBondContact O-N 3.36Å; V34-W61 HydrophobicContact CG1-CH2 3.42Å; V34-W61 VanDerWaalsContact CG1-CH2 3.42Å; V34-W61 HydrophobicContact CG1-CZ2 4.32Å; V34-W61 HydrophobicContact CG1-CZ3 3.68Å; V34-W61 WeakPolarHBondContact O-CH2 3.4Å; V34-Y68 HydrophobicContact CG2-CD2 4.26Å; V34-A70 HydrophobicContact CG1-CB 4.19Å; V34-A70 HydrophobicContact CG2-CB 4.48Å; V34-K73 HydrophobicContact CB-CD 4.46Å; V34-K73 HydrophobicContact CG1-CD 3.74Å
35D90.8Very high91.5Very high82 Ų8253.5 Ų53.544%0.43926%0.255SS..Hα-helixtrans-61.2-43.8173.7-68.7-64.8000111.3E32 A37 E38 Y39 K73E32-D35 WeakPolarHBondContact O-CB 3.38Å; E32-D35 PolarHBondContact O-N 2.93Å; D35-A37 VanDerWaalsContact C-N 3.32Å; D35-A37 PolarHBondContact O-N 3.4Å; D35-E38 WeakPolarHBondContact O-CB 3.29Å; D35-E38 PolarHBondContact O-N 3.5Å; D35-Y39 PolarHBondContact O-N 3.49Å; D35-K73 VanDerWaalsContact N-NZ 3.14Å; D35-K73 WeakPolarHBondContact OD1-CE 3.28Å; D35-K73 IonicContact OD1-NZ 3.06Å; D35-K73 PolarHBondContact OD1-NZ 2.99Å; D35-K73 IonicContact OD2-NZ 2.71Å; D35-K73 PolarHBondContact OD2-NZ 2.92Å
36Q90.8Very high91.4Very high92 Ų9258.6 Ų58.643%0.4328%0.279SS..Hα-helixtrans-63.9-41.6178.6-62.617715.500111.1F24 E32 E33 V34 Y39 Y40F24-Q36 HydrophobicContact CE1-CB 4.45Å; F24-Q36 HydrophobicContact CZ-CB 4.13Å; E32-Q36 PolarHBondContact O-N 3.46Å; E33-Q36 PolarHBondContact O-N 3.36Å; V34-Q36 VanDerWaalsContact C-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.99Å; Q36-Y39 WeakPolarHBondContact O-CB 3.29Å; Q36-Y39 PolarHBondContact O-N 3.05Å; Q36-Y40 WeakPolarHBondContact O-CD2 3.36Å; Q36-Y40 PolarHBondContact O-N 2.82Å
37A92.1Very high91.4Very high0 Ų057 Ų570%027%0.271CS..Hα-helixtrans-65.5-39.5177.400000112.2F24 I28 E33 V34 D35 Y39 Y40 L41 W61F24-A37 HydrophobicContact CD1-CB 4.07Å; F24-A37 HydrophobicContact CE1-CB 3.74Å; I28-A37 HydrophobicContact CD1-CB 3.57Å; I28-A37 HydrophobicContact CG1-CB 4.28Å; E33-A37 VanDerWaalsContact O-CB 3.28Å; E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 2.83Å; V34-A37 PolarHBondContact O-N 3.45Å; D35-A37 VanDerWaalsContact C-N 3.32Å; D35-A37 PolarHBondContact O-N 3.4Å; A37-Y39 VanDerWaalsContact C-N 3.32Å; A37-Y39 PolarHBondContact O-N 3.11Å; A37-Y40 PolarHBondContact O-N 3.49Å; A37-L41 WeakPolarHBondContact O-CB 3.32Å; A37-L41 VanDerWaalsContact O-CG 3.22Å; A37-L41 WeakPolarHBondContact O-CG 3.04Å; A37-L41 PolarHBondContact O-N 3.21Å; A37-W61 HydrophobicContact CB-CE3 4.19Å; A37-W61 HydrophobicContact CB-CH2 4.27Å; A37-W61 HydrophobicContact CB-CZ3 3.47Å; A37-W61 VanDerWaalsContact CB-CZ3 3.47Å
38E93.1Very high91.3Very high25 Ų2557.1 Ų57.112%0.11728%0.277CS..Hα-helixtrans-57-47.7172-177.7174.5-179.700111.2V34 D35 Y40 L41 Y42 W61 K73 H76 T77 Y84V34-E38 WeakPolarHBondContact O-CB 3.46Å; V34-E38 PolarHBondContact O-N 3.36Å; D35-E38 WeakPolarHBondContact O-CB 3.29Å; D35-E38 PolarHBondContact O-N 3.5Å; E38-Y40 PolarHBondContact O-N 3.45Å; E38-L41 PolarHBondContact O-N 3.01Å; E38-Y42 PolarHBondContact O-N 2.67Å; E38-W61 HydrophobicContact CB-CH2 3.89Å; E38-W61 HydrophobicContact CB-CZ2 4.23Å; E38-K73 WeakPolarHBondContact OE2-CD 3.46Å; E38-H76 IonicContact OE1-CE1 2.87Å; E38-H76 PolarHBondContact OE1-CE1 3.13Å; E38-H76 IonicContact OE1-ND1 3.11Å; E38-H76 PolarHBondContact OE1-ND1 3.33Å; E38-T77 HydrophobicContact CG-CG2 4.22Å; E38-Y84 HydrophobicContact CG-CD1 4.41Å; E38-Y84 HydrophobicContact CG-CE1 3.44Å; E38-Y84 VanDerWaalsContact CG-CE1 3.44Å; E38-Y84 WeakPolarHBondContact O-CE1 3.45Å; E38-Y84 PolarHBondContact OE1-OH 3.25Å
39Y92.6Very high91.2Very high120 Ų12058.8 Ų58.847%0.47129%0.286SS..Hα-helixtrans-61.1-44.6177.5176.5-104.2000113.2D35 Q36 A37 Y42 K43D35-Y39 PolarHBondContact O-N 3.49Å; Q36-Y39 WeakPolarHBondContact O-CB 3.29Å; Q36-Y39 PolarHBondContact O-N 3.05Å; A37-Y39 VanDerWaalsContact C-N 3.32Å; A37-Y39 PolarHBondContact O-N 3.11Å; Y39-Y42 WeakPolarHBondContact O-CB 3.44Å; Y39-Y42 PolarHBondContact O-N 3.45Å; Y39-K43 HydrophobicContact CD1-CD 4.28Å; Y39-K43 HydrophobicContact CE1-CD 3.65Å; Y39-K43 VanDerWaalsContact CE1-CE 3.43Å; Y39-K43 HydrophobicContact CE1-CG 4.39Å; Y39-K43 VanDerWaalsContact CE1-NZ 3.34Å; Y39-K43 PolarHBondContact O-N 2.96Å; Y39-K43 WeakPolarHBondContact OH-CE 3.45Å; Y39-K43 PolarHBondContact OH-NZ 3.3Å
40Y92.3Very high91.2Very high18 Ų1856.6 Ų56.67%0.07127%0.271CS..Hα-helixtrans-70.3-32.3179-76.9-60.5000112.8A3 M6 D7 Y10 F24 Q36 A37 E38 K43 F44A3-Y40 WeakPolarHBondContact CA-OH 3.36Å; A3-Y40 HydrophobicContact CB-CE2 3.91Å; A3-Y40 VanDerWaalsContact CB-OH 3.28Å; A3-Y40 WeakPolarHBondContact CB-OH 3.4Å; M6-Y40 HydrophobicContact CB-CD1 4.24Å; M6-Y40 HydrophobicContact CB-CE1 4.02Å; M6-Y40 HydrophobicContact CE-CD1 3.75Å; M6-Y40 HydrophobicContact CE-CG 4.01Å; M6-Y40 HydrophobicContact SD-CD1 4.29Å; M6-Y40 HydrophobicContact SD-CG 4.44Å; D7-Y40 WeakPolarHBondContact OD1-CE1 3.39Å; D7-Y40 PolarHBondContact OD1-OH 3.39Å; D7-Y40 PolarHBondContact OD2-OH 3.41Å; Y10-Y40 HydrophobicContact CE2-CD1 4.25Å; F24-Y40 HydrophobicContact CD1-CD2 4.29Å; F24-Y40 AromaticContact CE1-CD2 3.68Å; F24-Y40 HydrophobicContact CE1-CD2 3.68Å; F24-Y40 HydrophobicContact CE1-CE2 4.36Å; F24-Y40 HydrophobicContact CE2-CD2 4.26Å; F24-Y40 HydrophobicContact CE2-CE2 4.26Å; F24-Y40 AromaticContact CZ-CD2 3.66Å; F24-Y40 HydrophobicContact CZ-CD2 3.66Å; F24-Y40 AromaticContact CZ-CE2 3.87Å; F24-Y40 HydrophobicContact CZ-CE2 3.87Å; Q36-Y40 WeakPolarHBondContact O-CD2 3.36Å; Q36-Y40 PolarHBondContact O-N 2.82Å; A37-Y40 PolarHBondContact O-N 3.49Å; E38-Y40 PolarHBondContact O-N 3.45Å; Y40-K43 PolarHBondContact O-N 3.23Å; Y40-F44 WeakPolarHBondContact O-CB 3.25Å; Y40-F44 PolarHBondContact O-N 3.08Å
41L92.6Very high91.1Very high4 Ų464.1 Ų64.12%0.02129%0.293CS..Hα-helixtrans-65.5-44.2172.6-74.3169.1000111.1I21 V25 A37 E38 F44 R45 L53 W61 Y84 I86I21-L41 HydrophobicContact CG2-CD2 3.77Å; V25-L41 HydrophobicContact CG2-CD1 4.49Å; V25-L41 HydrophobicContact CG2-CD2 4.37Å; A37-L41 WeakPolarHBondContact O-CB 3.32Å; A37-L41 VanDerWaalsContact O-CG 3.22Å; A37-L41 WeakPolarHBondContact O-CG 3.04Å; A37-L41 PolarHBondContact O-N 3.21Å; E38-L41 PolarHBondContact O-N 3.01Å; L41-F44 PolarHBondContact O-N 3.13Å; L41-R45 PolarHBondContact O-N 3.22Å; L41-L53 HydrophobicContact CD2-CD1 4.37Å; L41-W61 HydrophobicContact CD1-CD2 3.64Å; L41-W61 HydrophobicContact CD1-CE3 3.78Å; L41-W61 HydrophobicContact CD1-CG 4.01Å; L41-W61 HydrophobicContact CD1-CH2 4.48Å; L41-W61 HydrophobicContact CD1-CZ2 4.37Å; L41-W61 HydrophobicContact CD1-CZ3 4.23Å; L41-Y84 HydrophobicContact CB-CD1 4.44Å; L41-I86 HydrophobicContact CD1-CD1 4.27Å
42Y94.1Very high91.1Very high94 Ų9465.4 Ų65.437%0.36930%0.299SS..Hα-helixtrans-56.8-52172.4176.8-94.1000111.5E38 Y39 F44 R45 H46 Q83 Y84E38-Y42 PolarHBondContact O-N 2.67Å; Y39-Y42 WeakPolarHBondContact O-CB 3.44Å; Y39-Y42 PolarHBondContact O-N 3.45Å; Y42-F44 VanDerWaalsContact C-N 3.27Å; Y42-F44 PolarHBondContact O-N 3.43Å; Y42-R45 WeakPolarHBondContact O-CB 3.16Å; Y42-R45 PolarHBondContact O-N 2.98Å; Y42-R45 VanDerWaalsContact O-N 3.14Å; Y42-H46 AromaticContact CD1-CD2 3.97Å; Y42-H46 AromaticContact CD2-NE2 3.99Å; Y42-H46 AromaticContact CE1-CD2 3.61Å; Y42-H46 AromaticContact CE1-NE2 3.93Å; Y42-H46 AromaticContact CE2-CD2 3.83Å; Y42-H46 AromaticContact CE2-NE2 3.38Å; Y42-H46 WeakPolarHBondContact CE2-NE2 3.45Å; Y42-H46 AromaticContact CZ-CD2 3.53Å; Y42-H46 AromaticContact CZ-NE2 3.32Å; Y42-H46 VanDerWaalsContact CZ-NE2 3.32Å; Y42-H46 PolarHBondContact O-CD2 3.26Å; Y42-H46 PolarHBondContact O-N 2.86Å; Y42-H46 PolarHBondContact OH-NE2 2.64Å; Y42-Q83 HydrophobicContact CD2-CB 4.02Å; Y42-Q83 HydrophobicContact CE2-CB 3.92Å; Y42-Q83 HydrophobicContact CE2-CG 4.32Å; Y42-Q83 VanDerWaalsContact CE2-OE1 3.23Å; Y42-Y84 HydrophobicContact CD2-CE1 4.42Å
43K91.9Very high91.2Very high50 Ų5059.9 Ų59.922%0.21727%0.274CS..Hα-helixtrans-59.5-37177.1-84-171.2165.8174.10113.1D7 Y10 Y39 Y40 R45 H46 S47D7-K43 IonicContact OD1-NZ 2.62Å; Y10-K43 HydrophobicContact CD2-CD 4.04Å; Y10-K43 HydrophobicContact CE1-CB 4.37Å; Y10-K43 HydrophobicContact CE2-CB 4.11Å; Y10-K43 HydrophobicContact CE2-CD 4.08Å; Y39-K43 HydrophobicContact CD1-CD 4.28Å; Y39-K43 HydrophobicContact CE1-CD 3.65Å; Y39-K43 VanDerWaalsContact CE1-CE 3.43Å; Y39-K43 HydrophobicContact CE1-CG 4.39Å; Y39-K43 VanDerWaalsContact CE1-NZ 3.34Å; Y39-K43 PolarHBondContact O-N 2.96Å; Y39-K43 WeakPolarHBondContact OH-CE 3.45Å; Y39-K43 PolarHBondContact OH-NZ 3.3Å; Y40-K43 PolarHBondContact O-N 3.23Å; K43-R45 VanDerWaalsContact C-N 3.34Å; K43-H46 CarbonylContact O-C 3.56Å; K43-H46 PolarHBondContact O-N 3.37Å; K43-S47 PolarHBondContact O-N 2.92Å
44F92.4Very high91.4Very high3 Ų360.6 Ų60.61%0.01327%0.274CS..Hα-helixtrans-67-36.7177.9-177.4-115.2000112.5Y10 V16 I21 Y40 L41 Y42 H46 S47 N49 L53Y10-F44 PolarHBondContact OH-N 2.99Å; V16-F44 HydrophobicContact CB-CD2 4.37Å; V16-F44 WeakPolarHBondContact O-CE2 3.31Å; I21-F44 HydrophobicContact CD1-CB 3.62Å; I21-F44 HydrophobicContact CD1-CD1 3.75Å; I21-F44 HydrophobicContact CD1-CD2 2.92Å; I21-F44 HydrophobicContact CD1-CE1 4.05Å; I21-F44 HydrophobicContact CD1-CE2 3.26Å; I21-F44 HydrophobicContact CD1-CG 3.14Å; I21-F44 HydrophobicContact CD1-CZ 3.82Å; I21-F44 HydrophobicContact CG1-CB 4.47Å; I21-F44 HydrophobicContact CG1-CD2 4.34Å; I21-F44 HydrophobicContact CG1-CG 4.35Å; Y40-F44 WeakPolarHBondContact O-CB 3.25Å; Y40-F44 PolarHBondContact O-N 3.08Å; L41-F44 PolarHBondContact O-N 3.13Å; Y42-F44 VanDerWaalsContact C-N 3.27Å; Y42-F44 PolarHBondContact O-N 3.43Å; F44-H46 PolarHBondContact O-N 3.41Å; F44-S47 WeakPolarHBondContact CD2-OG 3.39Å; F44-S47 WeakPolarHBondContact O-CB 3.41Å; F44-S47 PolarHBondContact O-N 3Å; F44-S47 PolarHBondContact O-OG 3.03Å; F44-N49 HydrophobicContact CE2-CB 3.82Å; F44-N49 HydrophobicContact CZ-CB 4.04Å; F44-N49 WeakPolarHBondContact CZ-O 3.43Å; F44-L53 HydrophobicContact CD1-CD1 4.06Å; F44-L53 HydrophobicContact CE1-CB 3.96Å; F44-L53 HydrophobicContact CE1-CD1 3.94Å
45R93.6Very high91.4Very high73 Ų7364.5 Ų64.528%0.27530%0.295SS..Hα-helixtrans-62.6-32.7175.2-176.355.7177.2173.95.1112.3L41 Y42 K43 S47 C50 T82 Q83L41-R45 PolarHBondContact O-N 3.22Å; Y42-R45 WeakPolarHBondContact O-CB 3.16Å; Y42-R45 PolarHBondContact O-N 2.98Å; Y42-R45 VanDerWaalsContact O-N 3.14Å; K43-R45 VanDerWaalsContact C-N 3.34Å; R45-S47 PolarHBondContact O-N 3.45Å; R45-C50 WeakPolarHBondContact O-CB 3.4Å; R45-T82 PolarHBondContact NE-O 3.45Å; R45-Q83 WeakPolarHBondContact CB-O 3.34Å; R45-Q83 WeakPolarHBondContact CG-O 2.9Å
46H90.8Very high91.5Very high107 Ų10761.3 Ų61.350%0.49528%0.276SS..THydrogen-bonded Turntrans-8716.4174.4-65.2-66.8000113.9Y42 K43 F44 Q83Y42-H46 AromaticContact CD1-CD2 3.97Å; Y42-H46 AromaticContact CD2-NE2 3.99Å; Y42-H46 AromaticContact CE1-CD2 3.61Å; Y42-H46 AromaticContact CE1-NE2 3.93Å; Y42-H46 AromaticContact CE2-CD2 3.83Å; Y42-H46 AromaticContact CE2-NE2 3.38Å; Y42-H46 WeakPolarHBondContact CE2-NE2 3.45Å; Y42-H46 AromaticContact CZ-CD2 3.53Å; Y42-H46 AromaticContact CZ-NE2 3.32Å; Y42-H46 VanDerWaalsContact CZ-NE2 3.32Å; Y42-H46 PolarHBondContact O-CD2 3.26Å; Y42-H46 PolarHBondContact O-N 2.86Å; Y42-H46 PolarHBondContact OH-NE2 2.64Å; K43-H46 CarbonylContact O-C 3.56Å; K43-H46 PolarHBondContact O-N 3.37Å; F44-H46 PolarHBondContact O-N 3.41Å; H46-Q83 PolarHBondContact CE1-OE1 3.5Å; H46-Q83 PolarHBondContact NE2-OE1 2.81Å
47S89.6Confident91.6Very high10 Ų1057 Ų577%0.0726%0.256CS..SBendtrans-107.5161.3176.382.60000111.8K43 F44 R45 N49 C50K43-S47 PolarHBondContact O-N 2.92Å; F44-S47 WeakPolarHBondContact CD2-OG 3.39Å; F44-S47 WeakPolarHBondContact O-CB 3.41Å; F44-S47 PolarHBondContact O-N 3Å; F44-S47 PolarHBondContact O-OG 3.03Å; R45-S47 PolarHBondContact O-N 3.45Å; S47-N49 PolarHBondContact O-N 2.84Å; S47-C50 VanDerWaalsContact O-CB 3.28Å; S47-C50 WeakPolarHBondContact O-CB 3.41Å; S47-C50 PolarHBondContact O-N 3.24Å; S47-C50 VanDerWaalsContact O-N 3.08Å
48P90.5Very high91.6Very high105 Ų10557.3 Ų57.368%0.68226%0.258SS*.THydrogen-bonded Turntrans-57.1-25.8178.3-25.934.8000114.2C50P48-C50 VanDerWaalsContact C-N 3.29Å; P48-C50 PolarHBondContact O-N 3.41Å
49N90.2Very high91.7Very high38 Ų3856.4 Ų56.420%0.20325%0.254CS..THydrogen-bonded Turntrans-90.816.9-178.3-76.5-5.1000113.7V16 F44 S47 W51 Y52V16-N49 WeakPolarHBondContact O-CB 3.27Å; V16-N49 PolarHBondContact O-ND2 3.48Å; F44-N49 HydrophobicContact CE2-CB 3.82Å; F44-N49 HydrophobicContact CZ-CB 4.04Å; F44-N49 WeakPolarHBondContact CZ-O 3.43Å; S47-N49 PolarHBondContact O-N 2.84Å; N49-W51 PolarHBondContact O-N 3.43Å; N49-W51 VanDerWaalsContact O-N 3.13Å; N49-Y52 HydrophobicContact CB-CD2 4.03Å; N49-Y52 PolarHBondContact O-N 3.49Å
50C88.6Confident91.7Very high38 Ų3852 Ų5226%0.25724%0.239SC..G310 helixtrans-57-29.9-176.2660000114.7R45 S47 P48 Y52R45-C50 WeakPolarHBondContact O-CB 3.4Å; S47-C50 VanDerWaalsContact O-CB 3.28Å; S47-C50 WeakPolarHBondContact O-CB 3.41Å; S47-C50 PolarHBondContact O-N 3.24Å; S47-C50 VanDerWaalsContact O-N 3.08Å; P48-C50 VanDerWaalsContact C-N 3.29Å; P48-C50 PolarHBondContact O-N 3.41Å; C50-Y52 VanDerWaalsContact C-N 3.33Å
51W88.9Confident91.8Very high197 Ų19751.1 Ų51.175%0.74624%0.236SC*.G310 helixtrans-75.2-23177.7-173.180.7000112.8N49 L53N49-W51 PolarHBondContact O-N 3.43Å; N49-W51 VanDerWaalsContact O-N 3.13Å; W51-L53 PolarHBondContact O-N 3.21Å
52Y89.9Confident91.8Very high112 Ų11251 Ų5144%0.43924%0.235SC..G310 helixtrans-84.513.4-179-62.1-70.3000113.5S18 N49 C50 R54S18-Y52 WeakPolarHBondContact CB-O 3.46Å; S18-Y52 PolarHBondContact OG-O 3.07Å; N49-Y52 HydrophobicContact CB-CD2 4.03Å; N49-Y52 PolarHBondContact O-N 3.49Å; C50-Y52 VanDerWaalsContact C-N 3.33Å; Y52-R54 PolarHBondContact O-N 3.39Å
53L90.6Very high91.8Very high26 Ų2651.2 Ų51.214%0.13624%0.236CC..  trans-63.5131.2167.6-168.165.1000108.3L41 F44 W51 T57 V58 G85L41-L53 HydrophobicContact CD2-CD1 4.37Å; F44-L53 HydrophobicContact CD1-CD1 4.06Å; F44-L53 HydrophobicContact CE1-CB 3.96Å; F44-L53 HydrophobicContact CE1-CD1 3.94Å; W51-L53 PolarHBondContact O-N 3.21Å; L53-T57 HydrophobicContact CD1-CG2 4Å; L53-V58 HydrophobicContact CD2-CG2 3.96Å; L53-V58 HydrophobicContact CG-CG2 4.34Å; L53-G85 WeakPolarHBondContact CD2-O 3.29Å
54R92.4Very high91.8Very high79 Ų7950 Ų5030%0.29823%0.23SC..  trans-104.1147.2-173.2-61.4-68.6-170.6-172.42110.6Y52 W56 T57 V58Y52-R54 PolarHBondContact O-N 3.39Å; R54-W56 VanDerWaalsContact C-N 3.26Å; R54-W56 HydrophobicContact CB-CD2 3.62Å; R54-W56 HydrophobicContact CB-CE3 3.78Å; R54-W56 HydrophobicContact CB-CG 4.3Å; R54-W56 HydrophobicContact CB-CH2 3.83Å; R54-W56 HydrophobicContact CB-CZ2 3.65Å; R54-W56 HydrophobicContact CB-CZ3 3.87Å; R54-W56 HydrophobicContact CG-CD2 4.39Å; R54-W56 HydrophobicContact CG-CE3 4.39Å; R54-W56 HydrophobicContact CG-CH2 3.52Å; R54-W56 HydrophobicContact CG-CZ2 3.48Å; R54-W56 VanDerWaalsContact CG-CZ2 3.48Å; R54-W56 HydrophobicContact CG-CZ3 3.98Å; R54-W56 PolarHBondContact O-N 3.03Å; R54-T57 WeakPolarHBondContact O-CA 3.41Å; R54-T57 VanDerWaalsContact O-CB 3.28Å; R54-T57 WeakPolarHBondContact O-CB 3.18Å; R54-T57 PolarHBondContact O-N 3.26Å; R54-V58 PolarHBondContact O-N 3.29Å
55D91.5Very high91.8Very high82 Ų8249.8 Ų49.844%0.43923%0.23SC..Hα-helixtrans-57.5-38.7-177-47.7-20.6000111.8T57 V58 H59 W328D55-T57 PolarHBondContact O-N 3.05Å; D55-V58 WeakPolarHBondContact O-CB 3.49Å; D55-V58 PolarHBondContact O-N 2.91Å; D55-H59 WeakPolarHBondContact O-CB 3.29Å; D55-H59 PolarHBondContact O-N 3.25Å; D55-W328 HydrophobicContact CB-CZ2 3.92Å
56W92.6Very high91.6Very high14 Ų1448.4 Ų48.45%0.05323%0.227CC..Hα-helixtrans-61.6-29.517567.475.3000113.3R54 T60 W328 E331 L335R54-W56 VanDerWaalsContact C-N 3.26Å; R54-W56 HydrophobicContact CB-CD2 3.62Å; R54-W56 HydrophobicContact CB-CE3 3.78Å; R54-W56 HydrophobicContact CB-CG 4.3Å; R54-W56 HydrophobicContact CB-CH2 3.83Å; R54-W56 HydrophobicContact CB-CZ2 3.65Å; R54-W56 HydrophobicContact CB-CZ3 3.87Å; R54-W56 HydrophobicContact CG-CD2 4.39Å; R54-W56 HydrophobicContact CG-CE3 4.39Å; R54-W56 HydrophobicContact CG-CH2 3.52Å; R54-W56 HydrophobicContact CG-CZ2 3.48Å; R54-W56 VanDerWaalsContact CG-CZ2 3.48Å; R54-W56 HydrophobicContact CG-CZ3 3.98Å; R54-W56 PolarHBondContact O-N 3.03Å; W56-T60 WeakPolarHBondContact O-CB 3.24Å; W56-T60 PolarHBondContact O-N 3.33Å; W56-T60 PolarHBondContact O-OG1 3.41Å; W56-W328 HydrophobicContact CB-CB 4.17Å; W56-W328 HydrophobicContact CB-CD2 3.74Å; W56-W328 HydrophobicContact CB-CE3 3.63Å; W56-W328 HydrophobicContact CB-CG 3.99Å; W56-W328 HydrophobicContact CB-CZ3 4.25Å; W56-W328 HydrophobicContact CD2-CB 4.45Å; W56-W328 HydrophobicContact CE3-CB 3.92Å; W56-W328 AromaticContact CE3-CD1 3.81Å; W56-W328 AromaticContact CE3-CG 3.86Å; W56-W328 HydrophobicContact CE3-CG 3.86Å; W56-E331 HydrophobicContact CH2-CB 4.2Å; W56-E331 HydrophobicContact CZ3-CB 4.07Å; W56-E331 WeakPolarHBondContact CZ3-OE2 3.46Å; W56-L335 HydrophobicContact CH2-CD1 4.02Å; W56-L335 HydrophobicContact CZ2-CD1 4.25Å
57T93.3Very high91.6Very high1 Ų150 Ų501%0.00623%0.233CC..Hα-helixtrans-73.9-41178.9-54.60000110.3I21 S22 V25 L53 R54 D55 H59 T60 W61I21-T57 HydrophobicContact CG2-CG2 4.14Å; S22-T57 VanDerWaalsContact CB-OG1 3.24Å; S22-T57 WeakPolarHBondContact CB-OG1 3.31Å; V25-T57 HydrophobicContact CB-CG2 4.42Å; V25-T57 HydrophobicContact CG2-CG2 4.18Å; L53-T57 HydrophobicContact CD1-CG2 4Å; R54-T57 WeakPolarHBondContact O-CA 3.41Å; R54-T57 VanDerWaalsContact O-CB 3.28Å; R54-T57 WeakPolarHBondContact O-CB 3.18Å; R54-T57 PolarHBondContact O-N 3.26Å; D55-T57 PolarHBondContact O-N 3.05Å; T57-H59 VanDerWaalsContact C-N 3.33Å; T57-T60 PolarHBondContact O-N 2.7Å; T57-W61 WeakPolarHBondContact O-CB 3.44Å; T57-W61 PolarHBondContact O-N 2.99Å
58V92.8Very high91.6Very high7 Ų752.4 Ų52.44%0.04224%0.241CC..Hα-helixtrans-61.7-44.7171.7168.50000110.4L53 R54 D55 W61 I62 I86 P88L53-V58 HydrophobicContact CD2-CG2 3.96Å; L53-V58 HydrophobicContact CG-CG2 4.34Å; R54-V58 PolarHBondContact O-N 3.29Å; D55-V58 WeakPolarHBondContact O-CB 3.49Å; D55-V58 PolarHBondContact O-N 2.91Å; V58-W61 WeakPolarHBondContact O-CB 3.49Å; V58-W61 PolarHBondContact O-N 3.43Å; V58-I62 HydrophobicContact CG1-CD1 4.08Å; V58-I62 PolarHBondContact O-N 3.36Å; V58-I86 HydrophobicContact CB-CG2 4.43Å; V58-I86 HydrophobicContact CG1-CG2 3.58Å; V58-I86 HydrophobicContact CG2-CG2 4.23Å; V58-P88 HydrophobicContact CG1-CB 4.07Å; V58-P88 HydrophobicContact CG1-CG 4.23Å
59H93.7Very high91.4Very high7 Ų749.9 Ų49.93%0.03223%0.234CC..Hα-helixtrans-61.6-46.8176.9-172.674.6000112.5D55 T57 I62 R63 T92 Y321 W328D55-H59 WeakPolarHBondContact O-CB 3.29Å; D55-H59 PolarHBondContact O-N 3.25Å; T57-H59 VanDerWaalsContact C-N 3.33Å; H59-I62 PolarHBondContact O-N 3.24Å; H59-R63 PolarHBondContact NE2-NE 3.01Å; H59-R63 PolarHBondContact NE2-NH2 3.12Å; H59-R63 PolarHBondContact O-N 2.91Å; H59-T92 PolarHBondContact ND1-OG1 2.99Å; H59-Y321 AromaticContact CE1-CE2 3.61Å; H59-Y321 AromaticContact CE1-CZ 3.99Å; H59-Y321 AromaticContact NE2-CE2 3.61Å; H59-Y321 AromaticContact NE2-CZ 3.65Å; H59-Y321 PolarHBondContact NE2-OH 3.36Å; H59-W328 HydrophobicContact CB-CH2 4.12Å; H59-W328 HydrophobicContact CB-CZ3 4.03Å; H59-W328 AromaticContact CD2-CZ3 3.99Å; H59-W328 AromaticContact CG-CZ3 3.94Å
60T93.4Very high91.3Very high26 Ų2648 Ų4816%0.1622%0.224CC..Hα-helixtrans-62.2-44.6174.9-59.60000110.6V25 D26 W56 T57 I62 R63 Q64V25-T60 HydrophobicContact CG1-CG2 3.86Å; D26-T60 VanDerWaalsContact OD1-CG2 3.28Å; D26-T60 WeakPolarHBondContact OD1-CG2 3.27Å; D26-T60 PolarHBondContact OD1-OG1 3.14Å; W56-T60 WeakPolarHBondContact O-CB 3.24Å; W56-T60 PolarHBondContact O-N 3.33Å; W56-T60 PolarHBondContact O-OG1 3.41Å; T57-T60 PolarHBondContact O-N 2.7Å; T60-I62 VanDerWaalsContact C-N 3.29Å; T60-I62 PolarHBondContact O-N 3.39Å; T60-R63 PolarHBondContact O-N 3.3Å; T60-R63 VanDerWaalsContact O-N 3.14Å; T60-Q64 HydrophobicContact CG2-CG 3.88Å; T60-Q64 VanDerWaalsContact O-CG 3.28Å; T60-Q64 WeakPolarHBondContact O-CG 3.41Å; T60-Q64 PolarHBondContact O-N 3.33Å
61W94.6Very high91.2Very high1 Ų149.2 Ų49.20%0.00422%0.223CC..Hα-helixtrans-52.8-49.3178.9169.8-113.5000111.5V25 I28 V34 A37 E38 L41 T57 V58 Q64 C65 T77 I86V25-W61 HydrophobicContact CG1-CB 3.94Å; V25-W61 HydrophobicContact CG1-CE3 4.39Å; I28-W61 HydrophobicContact CD1-CE3 4.21Å; I28-W61 HydrophobicContact CD1-CZ3 4.11Å; V34-W61 HydrophobicContact CG1-CH2 3.42Å; V34-W61 VanDerWaalsContact CG1-CH2 3.42Å; V34-W61 HydrophobicContact CG1-CZ2 4.32Å; V34-W61 HydrophobicContact CG1-CZ3 3.68Å; V34-W61 WeakPolarHBondContact O-CH2 3.4Å; A37-W61 HydrophobicContact CB-CE3 4.19Å; A37-W61 HydrophobicContact CB-CH2 4.27Å; A37-W61 HydrophobicContact CB-CZ3 3.47Å; A37-W61 VanDerWaalsContact CB-CZ3 3.47Å; E38-W61 HydrophobicContact CB-CH2 3.89Å; E38-W61 HydrophobicContact CB-CZ2 4.23Å; L41-W61 HydrophobicContact CD1-CD2 3.64Å; L41-W61 HydrophobicContact CD1-CE3 3.78Å; L41-W61 HydrophobicContact CD1-CG 4.01Å; L41-W61 HydrophobicContact CD1-CH2 4.48Å; L41-W61 HydrophobicContact CD1-CZ2 4.37Å; L41-W61 HydrophobicContact CD1-CZ3 4.23Å; T57-W61 WeakPolarHBondContact O-CB 3.44Å; T57-W61 PolarHBondContact O-N 2.99Å; V58-W61 WeakPolarHBondContact O-CB 3.49Å; V58-W61 PolarHBondContact O-N 3.43Å; W61-Q64 PolarHBondContact O-N 3.21Å; W61-C65 VanDerWaalsContact CE2-SG 3.57Å; W61-C65 PolarHBondContact O-N 2.99Å; W61-C65 PolarHBondContact O-SG 3.2Å; W61-T77 HydrophobicContact CZ2-CG2 3.94Å; W61-T77 PolarHBondContact NE1-OG1 3.31Å; W61-I86 HydrophobicContact CG-CD1 4.35Å
62I93.4Very high91.2Very high0 Ų045.4 Ų45.40%022%0.217CC..Hα-helixtrans-65.8-42.6179.8-71.8168.5000111.2V58 H59 T60 Q64 C65 L66 P88 T92 L96V58-I62 HydrophobicContact CG1-CD1 4.08Å; V58-I62 PolarHBondContact O-N 3.36Å; H59-I62 PolarHBondContact O-N 3.24Å; T60-I62 VanDerWaalsContact C-N 3.29Å; T60-I62 PolarHBondContact O-N 3.39Å; I62-Q64 PolarHBondContact O-N 3.09Å; I62-C65 WeakPolarHBondContact O-CB 3.46Å; I62-C65 PolarHBondContact O-N 3.47Å; I62-L66 HydrophobicContact CG2-CD1 4.28Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.14Å; I62-P88 HydrophobicContact CD1-CB 3.75Å; I62-P88 HydrophobicContact CD1-CG 3.64Å; I62-T92 HydrophobicContact CB-CG2 3.73Å; I62-T92 HydrophobicContact CD1-CG2 3.39Å; I62-T92 HydrophobicContact CG1-CG2 4.12Å; I62-T92 HydrophobicContact CG2-CG2 3.66Å; I62-L96 HydrophobicContact CD1-CD1 4Å; I62-L96 HydrophobicContact CG1-CD1 4.29Å; I62-L96 HydrophobicContact CG2-CD1 3.79Å; I62-L96 HydrophobicContact CG2-CD2 3.71Å; I62-L96 HydrophobicContact CG2-CG 3.55Å
63R92.6Very high91.2Very high100 Ų10041 Ų4138%0.37720%0.2SC..Hα-helixtrans-60.6-42.1174.3-78-167.2-179.3-78.7-8.8112.9H59 T60 C65 L66 K67 Y321H59-R63 PolarHBondContact NE2-NE 3.01Å; H59-R63 PolarHBondContact NE2-NH2 3.12Å; H59-R63 PolarHBondContact O-N 2.91Å; T60-R63 PolarHBondContact O-N 3.3Å; T60-R63 VanDerWaalsContact O-N 3.14Å; R63-C65 VanDerWaalsContact C-N 3.33Å; R63-L66 PolarHBondContact O-N 3.38Å; R63-K67 WeakPolarHBondContact O-CB 3.42Å; R63-K67 PolarHBondContact O-N 3.07Å; R63-Y321 PolarHBondContact NH2-OH 3.5Å
64Q92.6Very high91.2Very high23 Ų2339.8 Ų39.811%0.10719%0.194CC..Hα-helixtrans-66.9-39.2177.6-64.8-66.98.500110.6D26 I28 T60 W61 I62 L66 K67 Y68D26-Q64 PolarHBondContact O-NE2 3.42Å; I28-Q64 HydrophobicContact CB-CG 4.39Å; I28-Q64 HydrophobicContact CD1-CB 4.27Å; I28-Q64 HydrophobicContact CD1-CG 4.4Å; T60-Q64 HydrophobicContact CG2-CG 3.88Å; T60-Q64 VanDerWaalsContact O-CG 3.28Å; T60-Q64 WeakPolarHBondContact O-CG 3.41Å; T60-Q64 PolarHBondContact O-N 3.33Å; W61-Q64 PolarHBondContact O-N 3.21Å; I62-Q64 PolarHBondContact O-N 3.09Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.48Å; Q64-K67 PolarHBondContact O-N 3.09Å; Q64-Y68 VanDerWaalsContact O-CD2 3.24Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.4Å; Q64-Y68 PolarHBondContact O-N 3.08Å
65C91.4Very high91.1Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-59.9-44.9174-69.80000111.4W61 I62 R63 G69 A70 A74W61-C65 VanDerWaalsContact CE2-SG 3.57Å; W61-C65 PolarHBondContact O-N 2.99Å; W61-C65 PolarHBondContact O-SG 3.2Å; I62-C65 WeakPolarHBondContact O-CB 3.46Å; I62-C65 PolarHBondContact O-N 3.47Å; R63-C65 VanDerWaalsContact C-N 3.33Å; C65-G69 PolarHBondContact O-N 3.22Å; C65-A70 HydrophobicContact CB-CB 4.19Å; C65-A70 WeakPolarHBondContact O-CA 3.4Å; C65-A70 VanDerWaalsContact O-CB 3.3Å; C65-A70 WeakPolarHBondContact O-CB 3.29Å; C65-A70 PolarHBondContact O-N 2.82Å; C65-A74 HydrophobicContact CB-CB 3.84Å
66L90.4Very high91.2Very high43 Ų4337 Ų3723%0.22518%0.183CC..Hα-helixtrans-63.9-41.5176.1-70.5174.1000112.5I62 R63 Q64 Y68 G69 R71 L95 L96 S99I62-L66 HydrophobicContact CG2-CD1 4.28Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.14Å; R63-L66 PolarHBondContact O-N 3.38Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.48Å; L66-Y68 PolarHBondContact O-N 3.37Å; L66-G69 PolarHBondContact O-N 2.82Å; L66-R71 HydrophobicContact CD2-CG 4.22Å; L66-L95 HydrophobicContact CD1-CB 4.28Å; L66-L96 HydrophobicContact CD1-CD2 4.37Å; L66-L96 HydrophobicContact CD2-CD2 4.02Å; L66-L96 HydrophobicContact CG-CD2 4.22Å; L66-S99 VanDerWaalsContact CD2-OG 3.32Å; L66-S99 WeakPolarHBondContact CD2-OG 3.42Å
67K90.8Very high91.1Very high141 Ų14136.4 Ų36.461%0.61318%0.18SC*.Hα-helixtrans-63.2-38.8-179.4-174.9-173.4175.3-159.60113.1R63 Q64R63-K67 WeakPolarHBondContact O-CB 3.42Å; R63-K67 PolarHBondContact O-N 3.07Å; Q64-K67 PolarHBondContact O-N 3.09Å
68Y90Very high90.9Very high60 Ų6036.5 Ų36.524%0.23518%0.181CC..THydrogen-bonded Turntrans-9614.6-178-66.7-68.7000113.8I28 S29 V34 Q64 L66 A70I28-Y68 HydrophobicContact CG2-CD2 4.06Å; I28-Y68 HydrophobicContact CG2-CE2 3.81Å; I28-Y68 PolarHBondContact O-OH 2.89Å; I28-Y68 VanDerWaalsContact O-OH 3.12Å; S29-Y68 VanDerWaalsContact C-CZ 3.42Å; S29-Y68 VanDerWaalsContact C-OH 3.22Å; S29-Y68 WeakPolarHBondContact CA-OH 3.43Å; S29-Y68 WeakPolarHBondContact O-CE1 3.26Å; S29-Y68 VanDerWaalsContact O-CZ 3.23Å; S29-Y68 PolarHBondContact O-OH 2.99Å; V34-Y68 HydrophobicContact CG2-CD2 4.26Å; Q64-Y68 VanDerWaalsContact O-CD2 3.24Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.4Å; Q64-Y68 PolarHBondContact O-N 3.08Å; L66-Y68 PolarHBondContact O-N 3.37Å; Y68-A70 PolarHBondContact O-N 3.24Å
69G85.9Confident90.7Very high52 Ų5240.7 Ų40.754%0.53620%0.198SC..THydrogen-bonded Turntrans63.521.1-178.800000113.5C65 L66 R71C65-G69 PolarHBondContact O-N 3.22Å; L66-G69 PolarHBondContact O-N 2.82Å; G69-R71 VanDerWaalsContact C-N 3.27Å; G69-R71 PolarHBondContact O-N 2.85Å
70A88.3Confident90.6Very high0 Ų043.2 Ų43.20%021%0.212CC..  trans-90.237.6-170.200000113.1R31 V34 C65 Y68 D72 K73 A74R31-A70 VanDerWaalsContact CZ-CA 3.45Å; V34-A70 HydrophobicContact CG1-CB 4.19Å; V34-A70 HydrophobicContact CG2-CB 4.48Å; C65-A70 HydrophobicContact CB-CB 4.19Å; C65-A70 WeakPolarHBondContact O-CA 3.4Å; C65-A70 VanDerWaalsContact O-CB 3.3Å; C65-A70 WeakPolarHBondContact O-CB 3.29Å; C65-A70 PolarHBondContact O-N 2.82Å; Y68-A70 PolarHBondContact O-N 3.24Å; A70-D72 VanDerWaalsContact C-N 3.34Å; A70-D72 PolarHBondContact O-N 3.46Å; A70-K73 PolarHBondContact O-N 3.11Å; A70-A74 PolarHBondContact O-N 3.47Å
71R86.8Confident90.3Very high62 Ų6244.3 Ų44.323%0.23422%0.215CC..Hα-helixtrans-67-34.6-168.7-52.9-151.9-162.5109.7-9.1113.2L66 G69 K73 A74 L75 Y100 D103L66-R71 HydrophobicContact CD2-CG 4.22Å; G69-R71 VanDerWaalsContact C-N 3.27Å; G69-R71 PolarHBondContact O-N 2.85Å; R71-K73 PolarHBondContact O-N 3.33Å; R71-A74 WeakPolarHBondContact O-CB 3.41Å; R71-A74 PolarHBondContact O-N 2.91Å; R71-L75 PolarHBondContact O-N 2.63Å; R71-Y100 HydrophobicContact CB-CE1 4.1Å; R71-Y100 WeakPolarHBondContact CB-OH 3.15Å; R71-Y100 PolarHBondContact O-OH 2.95Å; R71-Y100 VanDerWaalsContact O-OH 3.14Å; R71-D103 IonicContact CZ-OD2 3.63Å; R71-D103 IonicContact NH1-OD2 2.75Å; R71-D103 PolarHBondContact NH1-OD2 3.26Å; R71-D103 IonicContact NH2-OD1 3.71Å; R71-D103 IonicContact NH2-OD2 3.12Å; R71-D103 PolarHBondContact NH2-OD2 3.36Å
72D88.4Confident90Very high117 Ų11749.3 Ų49.363%0.62625%0.245SC*.Hα-helixtrans-55.5-39.4175.9-41.7-38.5000111.7A70 L75 H76A70-D72 VanDerWaalsContact C-N 3.34Å; A70-D72 PolarHBondContact O-N 3.46Å; D72-L75 PolarHBondContact O-N 3.33Å; D72-H76 WeakPolarHBondContact O-CB 3.24Å; D72-H76 PolarHBondContact O-N 3.07Å
73K90.2Very high89.9Confident19 Ų1952.9 Ų52.98%0.08326%0.262CS..Hα-helixtrans-72.4-40178.2-65.8-169.5-173.1158.20111.9V34 D35 E38 A70 R71 L75 H76 T77V34-K73 HydrophobicContact CB-CD 4.46Å; V34-K73 HydrophobicContact CG1-CD 3.74Å; D35-K73 VanDerWaalsContact N-NZ 3.14Å; D35-K73 WeakPolarHBondContact OD1-CE 3.28Å; D35-K73 IonicContact OD1-NZ 3.06Å; D35-K73 PolarHBondContact OD1-NZ 2.99Å; D35-K73 IonicContact OD2-NZ 2.71Å; D35-K73 PolarHBondContact OD2-NZ 2.92Å; E38-K73 WeakPolarHBondContact OE2-CD 3.46Å; A70-K73 PolarHBondContact O-N 3.11Å; R71-K73 PolarHBondContact O-N 3.33Å; K73-L75 VanDerWaalsContact C-N 3.28Å; K73-L75 PolarHBondContact O-N 2.95Å; K73-H76 PolarHBondContact O-N 3.49Å; K73-T77 WeakPolarHBondContact O-CG2 2.98Å; K73-T77 PolarHBondContact O-N 3.24Å; K73-T77 PolarHBondContact O-OG1 3.47Å; K73-T77 VanDerWaalsContact O-OG1 3.09Å
74A90.4Very high89.8Confident1 Ų149.2 Ų49.21%0.00825%0.249CC..Hα-helixtrans-57.1-47.8173.700000110.1C65 A70 R71 T77 L78 L96C65-A74 HydrophobicContact CB-CB 3.84Å; A70-A74 PolarHBondContact O-N 3.47Å; R71-A74 WeakPolarHBondContact O-CB 3.41Å; R71-A74 PolarHBondContact O-N 2.91Å; A74-T77 PolarHBondContact O-N 2.93Å; A74-T77 PolarHBondContact O-OG1 3.4Å; A74-L78 VanDerWaalsContact O-CG 3.27Å; A74-L78 WeakPolarHBondContact O-CG 3.16Å; A74-L78 PolarHBondContact O-N 3.02Å; A74-L96 HydrophobicContact CB-CD2 4.18Å
75L90.1Very high89.6Confident25 Ų2548.4 Ų48.413%0.13125%0.246CC..Hα-helixtrans-64.4-41.8177.6-171.3151.2000112.5R71 D72 K73 T77 L78 K79R71-L75 PolarHBondContact O-N 2.63Å; D72-L75 PolarHBondContact O-N 3.33Å; K73-L75 VanDerWaalsContact C-N 3.28Å; K73-L75 PolarHBondContact O-N 2.95Å; L75-T77 PolarHBondContact O-N 3.49Å; L75-L78 PolarHBondContact O-N 3.47Å; L75-K79 HydrophobicContact CD2-CD 3.68Å; L75-K79 VanDerWaalsContact CD2-CE 3.45Å; L75-K79 HydrophobicContact CD2-CG 4.18Å; L75-K79 PolarHBondContact O-N 3.49Å
76H92.6Very high89.5Confident79 Ų7948.4 Ų48.437%0.36625%0.247SC..Hα-helixtrans-58-46.9174.1178.8-112.8000111.9E38 D72 K73 L78 K79 N80 Y84E38-H76 IonicContact OE1-CE1 2.87Å; E38-H76 PolarHBondContact OE1-CE1 3.13Å; E38-H76 IonicContact OE1-ND1 3.11Å; E38-H76 PolarHBondContact OE1-ND1 3.33Å; D72-H76 WeakPolarHBondContact O-CB 3.24Å; D72-H76 PolarHBondContact O-N 3.07Å; K73-H76 PolarHBondContact O-N 3.49Å; H76-L78 VanDerWaalsContact C-N 3.3Å; H76-L78 PolarHBondContact O-N 3.43Å; H76-K79 PolarHBondContact O-N 3.32Å; H76-N80 PolarHBondContact CD2-ND2 3.14Å; H76-N80 PolarHBondContact NE2-ND2 3.39Å; H76-N80 WeakPolarHBondContact O-CB 3.36Å; H76-N80 PolarHBondContact O-N 3.12Å; H76-Y84 AromaticContact CE1-CE2 3.98Å; H76-Y84 AromaticContact CE1-CZ 3.99Å; H76-Y84 PolarHBondContact CE1-OH 3.14Å; H76-Y84 PolarHBondContact ND1-OH 3.45Å
77T91.5Very high89.5Confident0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-67.3-30.1179.256.80000113.3E38 W61 K73 A74 L75 N80 Y84 I86E38-T77 HydrophobicContact CG-CG2 4.22Å; W61-T77 HydrophobicContact CZ2-CG2 3.94Å; W61-T77 PolarHBondContact NE1-OG1 3.31Å; K73-T77 WeakPolarHBondContact O-CG2 2.98Å; K73-T77 PolarHBondContact O-N 3.24Å; K73-T77 PolarHBondContact O-OG1 3.47Å; K73-T77 VanDerWaalsContact O-OG1 3.09Å; A74-T77 PolarHBondContact O-N 2.93Å; A74-T77 PolarHBondContact O-OG1 3.4Å; L75-T77 PolarHBondContact O-N 3.49Å; T77-N80 CarbonylContact O-C 3.56Å; T77-Y84 HydrophobicContact CG2-CD1 3.98Å; T77-Y84 HydrophobicContact CG2-CD2 4.18Å; T77-Y84 HydrophobicContact CG2-CE1 4.07Å; T77-Y84 HydrophobicContact CG2-CE2 4.31Å; T77-Y84 HydrophobicContact CG2-CG 4.02Å; T77-I86 HydrophobicContact CG2-CD1 4.03Å
78L89.1Confident89.4Confident4 Ų444.5 Ų44.52%0.02123%0.228CC..Hα-helixtrans-70.9-48.8174.8-72.3169.6000111.8A74 L75 H76 N80 K81 I86 P88 F93 L96 E115A74-L78 VanDerWaalsContact O-CG 3.27Å; A74-L78 WeakPolarHBondContact O-CG 3.16Å; A74-L78 PolarHBondContact O-N 3.02Å; L75-L78 PolarHBondContact O-N 3.47Å; H76-L78 VanDerWaalsContact C-N 3.3Å; H76-L78 PolarHBondContact O-N 3.43Å; L78-N80 PolarHBondContact O-N 3.08Å; L78-K81 PolarHBondContact O-N 3Å; L78-I86 HydrophobicContact CD2-CG2 4.42Å; L78-P88 HydrophobicContact CD2-CG 3.37Å; L78-F93 HydrophobicContact CD2-CE1 4.19Å; L78-F93 HydrophobicContact CD2-CZ 4.49Å; L78-L96 HydrophobicContact CD1-CD1 3.6Å; L78-E115 HydrophobicContact CB-CG 4.34Å
79K89.4Confident89.4Confident94 Ų9443 Ų4341%0.40923%0.225SC..Hα-helixtrans-58.4-37.8176.2-72.2-172174.1-178.90111.8L75 H76 K81 S111L75-K79 HydrophobicContact CD2-CD 3.68Å; L75-K79 VanDerWaalsContact CD2-CE 3.45Å; L75-K79 HydrophobicContact CD2-CG 4.18Å; L75-K79 PolarHBondContact O-N 3.49Å; H76-K79 PolarHBondContact O-N 3.32Å; K79-K81 VanDerWaalsContact C-N 3.32Å; K79-K81 PolarHBondContact O-N 2.78Å; K79-S111 WeakPolarHBondContact CE-OG 3.3Å; K79-S111 PolarHBondContact NZ-OG 2.59Å
80N90.9Very high89.5Confident60 Ų6041.2 Ų41.232%0.32120%0.203SC..THydrogen-bonded Turntrans-93.244179-71-34.5000113.4H76 T77 L78 T82 Q83 Y84H76-N80 PolarHBondContact CD2-ND2 3.14Å; H76-N80 PolarHBondContact NE2-ND2 3.39Å; H76-N80 WeakPolarHBondContact O-CB 3.36Å; H76-N80 PolarHBondContact O-N 3.12Å; T77-N80 CarbonylContact O-C 3.56Å; L78-N80 PolarHBondContact O-N 3.08Å; N80-T82 PolarHBondContact O-N 3.19Å; N80-Q83 HydrophobicContact CB-CB 4.46Å; N80-Q83 PolarHBondContact O-N 3.02Å; N80-Y84 HydrophobicContact CB-CD2 3.65Å; N80-Y84 HydrophobicContact CB-CE2 3.66Å; N80-Y84 WeakPolarHBondContact O-CD2 3.37Å; N80-Y84 PolarHBondContact O-N 3.32Å; N80-Y84 VanDerWaalsContact O-N 3.15Å
81K85.9Confident89.5Confident49 Ų4943 Ų4321%0.21321%0.21CC..Hα-helixtrans-51.2-33.9-178.864-170.3174-165.80114.9L78 K79 G85 F87 E115L78-K81 PolarHBondContact O-N 3Å; K79-K81 VanDerWaalsContact C-N 3.32Å; K79-K81 PolarHBondContact O-N 2.78Å; K81-G85 WeakPolarHBondContact O-CA 3.46Å; K81-G85 PolarHBondContact O-N 3.42Å; K81-F87 HydrophobicContact CB-CE1 4.07Å; K81-F87 HydrophobicContact CB-CZ 4.41Å; K81-F87 HydrophobicContact CD-CE1 4.38Å; K81-F87 HydrophobicContact CG-CE1 4.49Å; K81-E115 IonicContact NZ-OE2 3.88Å
82T88.5Confident89.7Confident106 Ų10640.1 Ų40.165%0.6520%0.2SC*.Hα-helixtrans-67.9-38.8179.5-1.80000112.4R45 N80R45-T82 PolarHBondContact NE-O 3.45Å; N80-T82 PolarHBondContact O-N 3.19Å
83Q91.9Very high89.8Confident75 Ų7534.5 Ų34.535%0.3517%0.17SC..Hα-helixtrans-84.7-32.4-173.8-65.8-63.2-19.900113Y42 R45 H46 N80Y42-Q83 HydrophobicContact CD2-CB 4.02Å; Y42-Q83 HydrophobicContact CE2-CB 3.92Å; Y42-Q83 HydrophobicContact CE2-CG 4.32Å; Y42-Q83 VanDerWaalsContact CE2-OE1 3.23Å; R45-Q83 WeakPolarHBondContact CB-O 3.34Å; R45-Q83 WeakPolarHBondContact CG-O 2.9Å; H46-Q83 PolarHBondContact CE1-OE1 3.5Å; H46-Q83 PolarHBondContact NE2-OE1 2.81Å; N80-Q83 HydrophobicContact CB-CB 4.46Å; N80-Q83 PolarHBondContact O-N 3.02Å
84Y90.4Very high89.9Confident23 Ų2334.2 Ų34.29%0.0917%0.169CC..Hα-helixtrans-102.1-23.4179.9-63.5-85.1000113.2E38 L41 Y42 H76 T77 N80 I86E38-Y84 HydrophobicContact CG-CD1 4.41Å; E38-Y84 HydrophobicContact CG-CE1 3.44Å; E38-Y84 VanDerWaalsContact CG-CE1 3.44Å; E38-Y84 WeakPolarHBondContact O-CE1 3.45Å; E38-Y84 PolarHBondContact OE1-OH 3.25Å; L41-Y84 HydrophobicContact CB-CD1 4.44Å; Y42-Y84 HydrophobicContact CD2-CE1 4.42Å; H76-Y84 AromaticContact CE1-CE2 3.98Å; H76-Y84 AromaticContact CE1-CZ 3.99Å; H76-Y84 PolarHBondContact CE1-OH 3.14Å; H76-Y84 PolarHBondContact ND1-OH 3.45Å; T77-Y84 HydrophobicContact CG2-CD1 3.98Å; T77-Y84 HydrophobicContact CG2-CD2 4.18Å; T77-Y84 HydrophobicContact CG2-CE1 4.07Å; T77-Y84 HydrophobicContact CG2-CE2 4.31Å; T77-Y84 HydrophobicContact CG2-CG 4.02Å; N80-Y84 HydrophobicContact CB-CD2 3.65Å; N80-Y84 HydrophobicContact CB-CE2 3.66Å; N80-Y84 WeakPolarHBondContact O-CD2 3.37Å; N80-Y84 PolarHBondContact O-N 3.32Å; N80-Y84 VanDerWaalsContact O-N 3.15Å; Y84-I86 VanDerWaalsContact C-N 3.26Å; Y84-I86 PolarHBondContact O-N 3.3Å
85G88.8Confident89.9Confident6 Ų636.1 Ų36.16%0.06218%0.179CC..  trans66.925.8-177.100000113.8L53 K81 F87L53-G85 WeakPolarHBondContact CD2-O 3.29Å; K81-G85 WeakPolarHBondContact O-CA 3.46Å; K81-G85 PolarHBondContact O-N 3.42Å; G85-F87 VanDerWaalsContact O-CD2 3.28Å; G85-F87 WeakPolarHBondContact O-CD2 3.15Å; G85-F87 PolarHBondContact O-N 2.97Å
86I89.6Confident90Very high1 Ų134.9 Ų34.91%0.00517%0.173CC..  trans-87.4107.3-179.4-64.7175.7000108.5L41 V58 W61 T77 L78 Y84 P88L41-I86 HydrophobicContact CD1-CD1 4.27Å; V58-I86 HydrophobicContact CB-CG2 4.43Å; V58-I86 HydrophobicContact CG1-CG2 3.58Å; V58-I86 HydrophobicContact CG2-CG2 4.23Å; W61-I86 HydrophobicContact CG-CD1 4.35Å; T77-I86 HydrophobicContact CG2-CD1 4.03Å; L78-I86 HydrophobicContact CD2-CG2 4.42Å; Y84-I86 VanDerWaalsContact C-N 3.26Å; Y84-I86 PolarHBondContact O-N 3.3Å; I86-P88 HydrophobicContact CG2-CG 4.33Å
87F89.8Confident89.9Confident94 Ų9431.1 Ų31.141%0.41216%0.155SC..  trans-118.498.4174.9-57.3-80.7000107.8K81 G85K81-F87 HydrophobicContact CB-CE1 4.07Å; K81-F87 HydrophobicContact CB-CZ 4.41Å; K81-F87 HydrophobicContact CD-CE1 4.38Å; K81-F87 HydrophobicContact CG-CE1 4.49Å; G85-F87 VanDerWaalsContact O-CD2 3.28Å; G85-F87 WeakPolarHBondContact O-CD2 3.15Å; G85-F87 PolarHBondContact O-N 2.97Å
88P88.9Confident89.9Confident7 Ų733.9 Ų33.95%0.04517%0.17CC..  trans-77.6151.5-177-9.324.9000113.1V58 I62 L78 I86 T92 F93V58-P88 HydrophobicContact CG1-CB 4.07Å; V58-P88 HydrophobicContact CG1-CG 4.23Å; I62-P88 HydrophobicContact CD1-CB 3.75Å; I62-P88 HydrophobicContact CD1-CG 3.64Å; L78-P88 HydrophobicContact CD2-CG 3.37Å; I86-P88 HydrophobicContact CG2-CG 4.33Å; P88-T92 HydrophobicContact CB-CG2 4.12Å; P88-F93 HydrophobicContact CB-CD2 4.06Å; P88-F93 HydrophobicContact CB-CE2 3.88Å; P88-F93 HydrophobicContact CB-CZ 4.19Å; P88-F93 HydrophobicContact CG-CD2 4.46Å; P88-F93 HydrophobicContact CG-CE1 4.08Å; P88-F93 HydrophobicContact CG-CE2 3.92Å; P88-F93 HydrophobicContact CG-CZ 3.72Å; P88-F93 VanDerWaalsContact O-CE2 3.23Å; P88-F93 WeakPolarHBondContact O-CE2 3.46Å
89D89.4Confident89.9Confident29 Ų2934.3 Ų34.316%0.15517%0.174CC..  trans-66.1156.4165.9-67.520.8000112.1F91 T92 F93 R324D89-F91 VanDerWaalsContact C-N 3.27Å; D89-F91 PolarHBondContact O-N 2.75Å; D89-T92 WeakPolarHBondContact O-CA 3.43Å; D89-T92 WeakPolarHBondContact O-CB 3.41Å; D89-T92 PolarHBondContact O-N 3.2Å; D89-F93 PolarHBondContact O-N 2.87Å; D89-R324 IonicContact OD2-NH1 3.53Å; D89-R324 PolarHBondContact OD2-NH1 3.27Å
90D87.8Confident89.9Confident15 Ų1530.1 Ų30.18%0.0816%0.155CC..Hα-helixtrans-43.8-48.8171.8-61.1-34.6000113.4T92 F93 N94 A121 L124 T127D90-T92 VanDerWaalsContact C-N 3.27Å; D90-T92 PolarHBondContact O-N 3.36Å; D90-F93 WeakPolarHBondContact O-CB 3.35Å; D90-F93 PolarHBondContact O-N 3.45Å; D90-N94 PolarHBondContact O-N 3.39Å; D90-A121 WeakPolarHBondContact OD1-CB 3.31Å; D90-L124 HydrophobicContact CB-CB 4.45Å; D90-L124 HydrophobicContact CB-CD1 3.53Å; D90-L124 HydrophobicContact CB-CG 3.85Å; D90-T127 HydrophobicContact CB-CG2 3.74Å; D90-T127 WeakPolarHBondContact O-CG2 3.5Å
91F89.7Confident89.8Confident36 Ų3628.9 Ų28.916%0.15815%0.148CC..Hα-helixtrans-64.6-33.8179.6-172.9-95.5000112.2D89 N94 L95 Y321D89-F91 VanDerWaalsContact C-N 3.27Å; D89-F91 PolarHBondContact O-N 2.75Å; F91-N94 WeakPolarHBondContact O-CB 2.99Å; F91-N94 PolarHBondContact O-N 2.97Å; F91-L95 HydrophobicContact CD1-CD1 4.08Å; F91-L95 HydrophobicContact CD1-CG 4.32Å; F91-L95 HydrophobicContact CE1-CD1 3.82Å; F91-L95 HydrophobicContact CE1-CD2 4.24Å; F91-L95 HydrophobicContact CE1-CG 4.04Å; F91-L95 HydrophobicContact CZ-CD2 4.46Å; F91-L95 WeakPolarHBondContact O-CG 3.33Å; F91-L95 PolarHBondContact O-N 3.37Å; F91-L95 VanDerWaalsContact O-N 3.13Å; F91-Y321 HydrophobicContact CD1-CD1 4.44Å; F91-Y321 AromaticContact CD1-CD2 3.45Å; F91-Y321 HydrophobicContact CD1-CD2 3.45Å; F91-Y321 VanDerWaalsContact CD1-CD2 3.45Å; F91-Y321 AromaticContact CD1-CE2 3.69Å; F91-Y321 HydrophobicContact CD1-CE2 3.69Å; F91-Y321 AromaticContact CD1-CG 3.87Å; F91-Y321 HydrophobicContact CD1-CG 3.87Å; F91-Y321 HydrophobicContact CD2-CG 4.48Å; F91-Y321 AromaticContact CE1-CD1 3.86Å; F91-Y321 HydrophobicContact CE1-CD1 3.86Å; F91-Y321 AromaticContact CE1-CD2 3.69Å; F91-Y321 HydrophobicContact CE1-CD2 3.69Å; F91-Y321 AromaticContact CE1-CE1 3.92Å; F91-Y321 HydrophobicContact CE1-CE1 3.92Å; F91-Y321 AromaticContact CE1-CE2 3.76Å; F91-Y321 HydrophobicContact CE1-CE2 3.76Å; F91-Y321 AromaticContact CE1-CG 3.75Å; F91-Y321 HydrophobicContact CE1-CG 3.75Å; F91-Y321 AromaticContact CE1-CZ 3.88Å; F91-Y321 HydrophobicContact CE2-CG 4.38Å; F91-Y321 AromaticContact CG-CD2 3.99Å; F91-Y321 HydrophobicContact CG-CD2 3.99Å; F91-Y321 HydrophobicContact CG-CG 4.24Å; F91-Y321 AromaticContact CZ-CD1 3.98Å; F91-Y321 HydrophobicContact CZ-CD1 3.98Å; F91-Y321 HydrophobicContact CZ-CD2 4.41Å; F91-Y321 HydrophobicContact CZ-CE1 4.34Å; F91-Y321 HydrophobicContact CZ-CG 4.02Å
92T90.3Very high89.9Confident2 Ų233.4 Ų33.41%0.01217%0.168CC..Hα-helixtrans-73.1-35.8178.9-480000111H59 I62 P88 D89 D90 L95 L96H59-T92 PolarHBondContact ND1-OG1 2.99Å; I62-T92 HydrophobicContact CB-CG2 3.73Å; I62-T92 HydrophobicContact CD1-CG2 3.39Å; I62-T92 HydrophobicContact CG1-CG2 4.12Å; I62-T92 HydrophobicContact CG2-CG2 3.66Å; P88-T92 HydrophobicContact CB-CG2 4.12Å; D89-T92 WeakPolarHBondContact O-CA 3.43Å; D89-T92 WeakPolarHBondContact O-CB 3.41Å; D89-T92 PolarHBondContact O-N 3.2Å; D90-T92 VanDerWaalsContact C-N 3.27Å; D90-T92 PolarHBondContact O-N 3.36Å; T92-L95 PolarHBondContact O-N 2.9Å; T92-L96 PolarHBondContact O-N 3.47Å
93F91.3Very high89.8Confident0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-62.2-43.6168.4-80.1-68.1000112.2L78 P88 D89 D90 L95 L96 L97 V112 L116 Q119L78-F93 HydrophobicContact CD2-CE1 4.19Å; L78-F93 HydrophobicContact CD2-CZ 4.49Å; P88-F93 HydrophobicContact CB-CD2 4.06Å; P88-F93 HydrophobicContact CB-CE2 3.88Å; P88-F93 HydrophobicContact CB-CZ 4.19Å; P88-F93 HydrophobicContact CG-CD2 4.46Å; P88-F93 HydrophobicContact CG-CE1 4.08Å; P88-F93 HydrophobicContact CG-CE2 3.92Å; P88-F93 HydrophobicContact CG-CZ 3.72Å; P88-F93 VanDerWaalsContact O-CE2 3.23Å; P88-F93 WeakPolarHBondContact O-CE2 3.46Å; D89-F93 PolarHBondContact O-N 2.87Å; D90-F93 WeakPolarHBondContact O-CB 3.35Å; D90-F93 PolarHBondContact O-N 3.45Å; F93-L95 VanDerWaalsContact C-N 3.29Å; F93-L95 PolarHBondContact O-N 3.38Å; F93-L96 WeakPolarHBondContact O-CB 2.88Å; F93-L96 PolarHBondContact O-N 2.98Å; F93-L96 VanDerWaalsContact O-N 3.07Å; F93-L97 WeakPolarHBondContact O-CG 3.45Å; F93-L97 PolarHBondContact O-N 2.69Å; F93-V112 HydrophobicContact CD1-CG1 3.82Å; F93-V112 HydrophobicContact CE1-CG1 4.34Å; F93-L116 HydrophobicContact CB-CD1 3.82Å; F93-L116 HydrophobicContact CD1-CB 4.31Å; F93-L116 HydrophobicContact CD1-CD1 4.4Å; F93-L116 HydrophobicContact CD2-CD1 4.32Å; F93-L116 HydrophobicContact CD2-CG 4.38Å; F93-L116 HydrophobicContact CE1-CB 4.3Å; F93-L116 HydrophobicContact CG-CB 4.49Å; F93-L116 HydrophobicContact CG-CD1 3.96Å; F93-L116 HydrophobicContact CG-CG 4.37Å; F93-L116 HydrophobicContact CZ-CB 4.47Å; F93-Q119 VanDerWaalsContact CZ-OE1 3.28Å
94N91.4Very high89.4Confident13 Ų1331.2 Ų31.27%0.0716%0.163CC..Hα-helixtrans-56.1-43.1176.2-75.4-15000112.3D90 F91 L96 L97 D98 S126 T127 L130D90-N94 PolarHBondContact O-N 3.39Å; F91-N94 WeakPolarHBondContact O-CB 2.99Å; F91-N94 PolarHBondContact O-N 2.97Å; N94-L96 VanDerWaalsContact C-N 3.33Å; N94-L96 PolarHBondContact O-N 2.98Å; N94-L97 PolarHBondContact O-N 2.95Å; N94-D98 VanDerWaalsContact O-CB 3.26Å; N94-D98 WeakPolarHBondContact O-CB 3.21Å; N94-D98 PolarHBondContact O-N 3.19Å; N94-S126 PolarHBondContact ND2-OG 2.85Å; N94-T127 WeakPolarHBondContact OD1-CA 3.49Å; N94-T127 WeakPolarHBondContact OD1-CG2 3.5Å; N94-L130 HydrophobicContact CB-CD1 4Å
95L91.3Very high89.3Confident40 Ų4033 Ų3321%0.20918%0.175CC..Hα-helixtrans-61.3-40.5176.3-68.9173.4000112.6L66 F91 T92 F93 S99L66-L95 HydrophobicContact CD1-CB 4.28Å; F91-L95 HydrophobicContact CD1-CD1 4.08Å; F91-L95 HydrophobicContact CD1-CG 4.32Å; F91-L95 HydrophobicContact CE1-CD1 3.82Å; F91-L95 HydrophobicContact CE1-CD2 4.24Å; F91-L95 HydrophobicContact CE1-CG 4.04Å; F91-L95 HydrophobicContact CZ-CD2 4.46Å; F91-L95 WeakPolarHBondContact O-CG 3.33Å; F91-L95 PolarHBondContact O-N 3.37Å; F91-L95 VanDerWaalsContact O-N 3.13Å; T92-L95 PolarHBondContact O-N 2.9Å; F93-L95 VanDerWaalsContact C-N 3.29Å; F93-L95 PolarHBondContact O-N 3.38Å; L95-S99 WeakPolarHBondContact O-CB 3.46Å; L95-S99 PolarHBondContact O-N 3.44Å
96L90.9Very high89.1Confident0 Ų035.4 Ų35.40%018%0.183CC..Hα-helixtrans-68.2-48.4176.6-77.4171.4000111.4I62 L66 A74 L78 T92 F93 N94 D98 S99 Y100 V112I62-L96 HydrophobicContact CD1-CD1 4Å; I62-L96 HydrophobicContact CG1-CD1 4.29Å; I62-L96 HydrophobicContact CG2-CD1 3.79Å; I62-L96 HydrophobicContact CG2-CD2 3.71Å; I62-L96 HydrophobicContact CG2-CG 3.55Å; L66-L96 HydrophobicContact CD1-CD2 4.37Å; L66-L96 HydrophobicContact CD2-CD2 4.02Å; L66-L96 HydrophobicContact CG-CD2 4.22Å; A74-L96 HydrophobicContact CB-CD2 4.18Å; L78-L96 HydrophobicContact CD1-CD1 3.6Å; T92-L96 PolarHBondContact O-N 3.47Å; F93-L96 WeakPolarHBondContact O-CB 2.88Å; F93-L96 PolarHBondContact O-N 2.98Å; F93-L96 VanDerWaalsContact O-N 3.07Å; N94-L96 VanDerWaalsContact C-N 3.33Å; N94-L96 PolarHBondContact O-N 2.98Å; L96-D98 PolarHBondContact O-N 3.4Å; L96-S99 WeakPolarHBondContact O-CB 3.36Å; L96-S99 PolarHBondContact O-N 3.07Å; L96-S99 VanDerWaalsContact O-N 3.17Å; L96-S99 PolarHBondContact O-OG 3.07Å; L96-Y100 WeakPolarHBondContact O-CD2 3.39Å; L96-Y100 PolarHBondContact O-N 3.44Å; L96-Y100 VanDerWaalsContact O-N 3.1Å; L96-V112 HydrophobicContact CB-CG1 4.49Å
97L90.9Very high89Confident0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-58.7-48.7179.1-73.2173000111.5F93 N94 S99 Y100 I101 V112 V113 L116 L130F93-L97 WeakPolarHBondContact O-CG 3.45Å; F93-L97 PolarHBondContact O-N 2.69Å; N94-L97 PolarHBondContact O-N 2.95Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 2.79Å; L97-Y100 PolarHBondContact O-N 3.28Å; L97-Y100 VanDerWaalsContact O-N 3.13Å; L97-I101 HydrophobicContact CB-CD1 4.45Å; L97-I101 WeakPolarHBondContact O-CB 3.38Å; L97-I101 VanDerWaalsContact O-CG1 3.22Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 3Å; L97-V112 HydrophobicContact CD2-CB 3.82Å; L97-V112 HydrophobicContact CD2-CG1 3.64Å; L97-V112 HydrophobicContact CG-CG1 3.87Å; L97-V113 HydrophobicContact CD1-CG2 4.47Å; L97-V113 HydrophobicContact CD2-CG2 3.71Å; L97-L116 HydrophobicContact CD1-CD1 4.35Å; L97-L130 HydrophobicContact CD1-CB 4.39Å
98D90.8Very high88.8Confident57 Ų5739.2 Ų39.231%0.30520%0.203SC..Hα-helixtrans-57.3-40.2176.8179.541.9000111.6N94 L96 Y100 I101 K102N94-D98 VanDerWaalsContact O-CB 3.26Å; N94-D98 WeakPolarHBondContact O-CB 3.21Å; N94-D98 PolarHBondContact O-N 3.19Å; L96-D98 PolarHBondContact O-N 3.4Å; D98-Y100 PolarHBondContact O-N 3.23Å; D98-I101 PolarHBondContact O-N 3.08Å; D98-K102 VanDerWaalsContact CG-NZ 3.31Å; D98-K102 WeakPolarHBondContact O-CB 3.27Å; D98-K102 VanDerWaalsContact O-CG 3.32Å; D98-K102 WeakPolarHBondContact O-CG 3.29Å; D98-K102 PolarHBondContact O-N 3.47Å; D98-K102 WeakPolarHBondContact OD1-CE 3.32Å; D98-K102 IonicContact OD1-NZ 3.72Å; D98-K102 PolarHBondContact OD1-NZ 2.75Å; D98-K102 WeakPolarHBondContact OD2-CE 3.45Å; D98-K102 IonicContact OD2-NZ 3.31Å; D98-K102 PolarHBondContact OD2-NZ 3.22Å
99S90.4Very high88.8Confident14 Ų1438.9 Ų38.910%0.09820%0.2CC..Hα-helixtrans-65-37.7177.180.60000113.7L66 L95 L96 L97 D103L66-S99 VanDerWaalsContact CD2-OG 3.32Å; L66-S99 WeakPolarHBondContact CD2-OG 3.42Å; L95-S99 WeakPolarHBondContact O-CB 3.46Å; L95-S99 PolarHBondContact O-N 3.44Å; L96-S99 WeakPolarHBondContact O-CB 3.36Å; L96-S99 PolarHBondContact O-N 3.07Å; L96-S99 VanDerWaalsContact O-N 3.17Å; L96-S99 PolarHBondContact O-OG 3.07Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 2.79Å; S99-D103 PolarHBondContact O-N 2.79Å
100Y89.6Confident88.7Confident6 Ų637.7 Ų37.72%0.02420%0.195CC..Hα-helixtrans-76.5-37.6177.5-73.7-66.5000112R71 L96 L97 D98 D103 G104 D105 S108 V112R71-Y100 HydrophobicContact CB-CE1 4.1Å; R71-Y100 WeakPolarHBondContact CB-OH 3.15Å; R71-Y100 PolarHBondContact O-OH 2.95Å; R71-Y100 VanDerWaalsContact O-OH 3.14Å; L96-Y100 WeakPolarHBondContact O-CD2 3.39Å; L96-Y100 PolarHBondContact O-N 3.44Å; L96-Y100 VanDerWaalsContact O-N 3.1Å; L97-Y100 PolarHBondContact O-N 3.28Å; L97-Y100 VanDerWaalsContact O-N 3.13Å; D98-Y100 PolarHBondContact O-N 3.23Å; Y100-D103 PolarHBondContact O-N 2.83Å; Y100-G104 PolarHBondContact O-N 2.91Å; Y100-G104 VanDerWaalsContact O-N 3.08Å; Y100-D105 HydrophobicContact CD1-CB 4.29Å; Y100-D105 PolarHBondContact O-N 3.19Å; Y100-D105 VanDerWaalsContact O-N 3.12Å; Y100-S108 VanDerWaalsContact CE1-CB 3.44Å; Y100-V112 HydrophobicContact CD2-CG2 4.05Å; Y100-V112 HydrophobicContact CE2-CG2 3.76Å
101I88.6Confident88.8Confident33 Ų3337.9 Ų37.917%0.16920%0.197CC..Hα-helixtrans-63.3-43.5177.2-68.8164.8000110.5L97 D98 D103 G104 L130 A134L97-I101 HydrophobicContact CB-CD1 4.45Å; L97-I101 WeakPolarHBondContact O-CB 3.38Å; L97-I101 VanDerWaalsContact O-CG1 3.22Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 3Å; D98-I101 PolarHBondContact O-N 3.08Å; I101-D103 VanDerWaalsContact C-N 3.26Å; I101-D103 PolarHBondContact O-N 3.29Å; I101-G104 PolarHBondContact O-N 2.87Å; I101-L130 HydrophobicContact CD1-CD2 4.21Å; I101-A134 HydrophobicContact CD1-CB 4.45Å
102K88.1Confident88.7Confident145 Ų14536.3 Ų36.363%0.6319%0.19SC*.Hα-helixtrans-61.9-33.8177.8-79.6170.8174.8160.40113.4D98D98-K102 VanDerWaalsContact CG-NZ 3.31Å; D98-K102 WeakPolarHBondContact O-CB 3.27Å; D98-K102 VanDerWaalsContact O-CG 3.32Å; D98-K102 WeakPolarHBondContact O-CG 3.29Å; D98-K102 PolarHBondContact O-N 3.47Å; D98-K102 WeakPolarHBondContact OD1-CE 3.32Å; D98-K102 IonicContact OD1-NZ 3.72Å; D98-K102 PolarHBondContact OD1-NZ 2.75Å; D98-K102 WeakPolarHBondContact OD2-CE 3.45Å; D98-K102 IonicContact OD2-NZ 3.31Å; D98-K102 PolarHBondContact OD2-NZ 3.22Å
103D85.3Confident88.5Confident98 Ų9836.2 Ų36.252%0.52419%0.19SC..Hα-helixtrans-88.9-6.4-179.1-73.224.7000112.6R71 S99 Y100 I101 D105R71-D103 IonicContact CZ-OD2 3.63Å; R71-D103 IonicContact NH1-OD2 2.75Å; R71-D103 PolarHBondContact NH1-OD2 3.26Å; R71-D103 IonicContact NH2-OD1 3.71Å; R71-D103 IonicContact NH2-OD2 3.12Å; R71-D103 PolarHBondContact NH2-OD2 3.36Å; S99-D103 PolarHBondContact O-N 2.79Å; Y100-D103 PolarHBondContact O-N 2.83Å; I101-D103 VanDerWaalsContact C-N 3.26Å; I101-D103 PolarHBondContact O-N 3.29Å; D103-D105 VanDerWaalsContact C-N 3.28Å; D103-D105 PolarHBondContact O-N 3.34Å
104G84.8Confident88.4Confident37 Ų3738.6 Ų38.638%0.38120%0.201SC..THydrogen-bonded Turntrans74.313179.700000114.6Y100 I101 F106Y100-G104 PolarHBondContact O-N 2.91Å; Y100-G104 VanDerWaalsContact O-N 3.08Å; I101-G104 PolarHBondContact O-N 2.87Å; G104-F106 VanDerWaalsContact O-CD2 3.3Å; G104-F106 WeakPolarHBondContact O-CD2 3.38Å; G104-F106 WeakPolarHBondContact O-CE2 3.33Å; G104-F106 PolarHBondContact O-N 2.98Å; G104-F106 VanDerWaalsContact O-N 3.13Å
105D86.9Confident88.2Confident61 Ų6138.9 Ų38.933%0.32620%0.202SC..  trans-85.780.6175.6-174.91000110.8Y100 D103 K107 S108 A109Y100-D105 HydrophobicContact CD1-CB 4.29Å; Y100-D105 PolarHBondContact O-N 3.19Å; Y100-D105 VanDerWaalsContact O-N 3.12Å; D103-D105 VanDerWaalsContact C-N 3.28Å; D103-D105 PolarHBondContact O-N 3.34Å; D105-K107 VanDerWaalsContact C-N 3.3Å; D105-K107 PolarHBondContact O-N 3.46Å; D105-K107 PolarHBondContact OD1-N 3.5Å; D105-S108 VanDerWaalsContact CG-OG 3.3Å; D105-S108 PolarHBondContact OD1-N 3.01Å; D105-S108 VanDerWaalsContact OD1-N 3.14Å; D105-S108 PolarHBondContact OD1-OG 3.14Å; D105-S108 WeakPolarHBondContact OD2-CB 3.41Å; D105-S108 PolarHBondContact OD2-OG 2.98Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 3.4Å; D105-A109 VanDerWaalsContact O-N 3.14Å
106F85.6Confident88Confident56 Ų5637 Ų3725%0.24619%0.192CC..Hα-helixtrans-71.2-23.3-178.9-55.8-63.7000113.4G104 A109 C110 C137 F138G104-F106 VanDerWaalsContact O-CD2 3.3Å; G104-F106 WeakPolarHBondContact O-CD2 3.38Å; G104-F106 WeakPolarHBondContact O-CE2 3.33Å; G104-F106 PolarHBondContact O-N 2.98Å; G104-F106 VanDerWaalsContact O-N 3.13Å; F106-A109 PolarHBondContact O-N 2.79Å; F106-C110 WeakPolarHBondContact O-CB 3.41Å; F106-C110 PolarHBondContact O-N 2.85Å; F106-C110 PolarHBondContact O-SG 3.13Å; F106-C110 VanDerWaalsContact O-SG 3.39Å; F106-C137 HydrophobicContact CD1-CB 3.47Å; F106-C137 VanDerWaalsContact CD1-CB 3.47Å; F106-C137 HydrophobicContact CD2-CB 4.4Å; F106-C137 HydrophobicContact CE1-CB 3.42Å; F106-C137 VanDerWaalsContact CE1-CB 3.42Å; F106-C137 HydrophobicContact CE2-CB 4.35Å; F106-C137 HydrophobicContact CG-CB 3.99Å; F106-C137 HydrophobicContact CZ-CB 3.89Å; F106-F138 HydrophobicContact CB-CB 4.33Å; F106-F138 HydrophobicContact CB-CD2 4.47Å
107K86.5Confident87.7Confident150 Ų15037 Ų3765%0.65219%0.192SC*.Hα-helixtrans-68-49.2177.7-71.6-176.3176.6-1740110.7D105 A109 C110 S111 F138D105-K107 VanDerWaalsContact C-N 3.3Å; D105-K107 PolarHBondContact O-N 3.46Å; D105-K107 PolarHBondContact OD1-N 3.5Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-C110 PolarHBondContact O-N 3.02Å; K107-S111 PolarHBondContact O-N 3.31Å; K107-S111 VanDerWaalsContact O-N 3.11Å; K107-F138 HydrophobicContact CG-CE2 4.08Å
108S87.4Confident87.4Confident24 Ų2439.4 Ų39.417%0.16821%0.205CC..Hα-helixtrans-66.1-37.5175.9-61.90000111.4Y100 D105 C110 S111 V112Y100-S108 VanDerWaalsContact CE1-CB 3.44Å; D105-S108 VanDerWaalsContact CG-OG 3.3Å; D105-S108 PolarHBondContact OD1-N 3.01Å; D105-S108 VanDerWaalsContact OD1-N 3.14Å; D105-S108 PolarHBondContact OD1-OG 3.14Å; D105-S108 WeakPolarHBondContact OD2-CB 3.41Å; D105-S108 PolarHBondContact OD2-OG 2.98Å; S108-C110 PolarHBondContact O-N 2.98Å; S108-S111 WeakPolarHBondContact O-CB 3.4Å; S108-S111 PolarHBondContact O-N 3.13Å; S108-V112 WeakPolarHBondContact O-CG2 3.5Å; S108-V112 PolarHBondContact O-N 3.22Å
109A87.8Confident87.1Confident0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-59.3-44.4173.700000112.1D105 F106 K107 S111 V112 V113 A134D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 3.4Å; D105-A109 VanDerWaalsContact O-N 3.14Å; F106-A109 PolarHBondContact O-N 2.79Å; K107-A109 VanDerWaalsContact C-N 3.32Å; A109-S111 PolarHBondContact O-N 3.46Å; A109-V112 WeakPolarHBondContact O-CB 3.44Å; A109-V112 PolarHBondContact O-N 2.85Å; A109-V112 VanDerWaalsContact O-N 3.11Å; A109-V113 WeakPolarHBondContact O-CG2 3.14Å; A109-V113 PolarHBondContact O-N 3.45Å; A109-A134 HydrophobicContact CB-CB 4.02Å
110C87.1Confident86.8Confident5 Ų544.2 Ų44.23%0.03422%0.223CC..Hα-helixtrans-60.4-45.2174.6-78.70000112.5F106 K107 S108 V112 V113 E114 F138F106-C110 WeakPolarHBondContact O-CB 3.41Å; F106-C110 PolarHBondContact O-N 2.85Å; F106-C110 PolarHBondContact O-SG 3.13Å; F106-C110 VanDerWaalsContact O-SG 3.39Å; K107-C110 PolarHBondContact O-N 3.02Å; S108-C110 PolarHBondContact O-N 2.98Å; C110-V112 PolarHBondContact O-N 2.87Å; C110-V113 PolarHBondContact O-N 3Å; C110-E114 WeakPolarHBondContact O-CG 3.44Å; C110-E114 PolarHBondContact O-N 3.4Å; C110-F138 HydrophobicContact CB-CG 4.44Å; C110-F138 WeakPolarHBondContact SG-CB 3.38Å; C110-F138 VanDerWaalsContact SG-CD1 3.56Å; C110-F138 WeakPolarHBondContact SG-CG 2.97Å
111S89.2Confident86.4Confident19 Ų1944.5 Ų44.513%0.13323%0.227CC..Hα-helixtrans-57-35.2173.7-73.30000112.7K79 K107 S108 A109 E115K79-S111 WeakPolarHBondContact CE-OG 3.3Å; K79-S111 PolarHBondContact NZ-OG 2.59Å; K107-S111 PolarHBondContact O-N 3.31Å; K107-S111 VanDerWaalsContact O-N 3.11Å; S108-S111 WeakPolarHBondContact O-CB 3.4Å; S108-S111 PolarHBondContact O-N 3.13Å; A109-S111 PolarHBondContact O-N 3.46Å; S111-E115 PolarHBondContact O-N 3.2Å
112V88.6Confident85.9Confident2 Ų243.1 Ų43.11%0.01222%0.22CC..Hα-helixtrans-69.9-40.4175.2175.90000111.2F93 L96 L97 Y100 S108 A109 C110 E114 E115 L116F93-V112 HydrophobicContact CD1-CG1 3.82Å; F93-V112 HydrophobicContact CE1-CG1 4.34Å; L96-V112 HydrophobicContact CB-CG1 4.49Å; L97-V112 HydrophobicContact CD2-CB 3.82Å; L97-V112 HydrophobicContact CD2-CG1 3.64Å; L97-V112 HydrophobicContact CG-CG1 3.87Å; Y100-V112 HydrophobicContact CD2-CG2 4.05Å; Y100-V112 HydrophobicContact CE2-CG2 3.76Å; S108-V112 WeakPolarHBondContact O-CG2 3.5Å; S108-V112 PolarHBondContact O-N 3.22Å; A109-V112 WeakPolarHBondContact O-CB 3.44Å; A109-V112 PolarHBondContact O-N 2.85Å; A109-V112 VanDerWaalsContact O-N 3.11Å; C110-V112 PolarHBondContact O-N 2.87Å; V112-E114 VanDerWaalsContact C-N 3.32Å; V112-E114 PolarHBondContact O-N 3.47Å; V112-E115 PolarHBondContact O-N 3.26Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 PolarHBondContact O-N 2.87Å
113V87.2Confident85.5Confident0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-65-36.5176.1177.70000111.7L97 A109 C110 L116 M117 A134 L135L97-V113 HydrophobicContact CD1-CG2 4.47Å; L97-V113 HydrophobicContact CD2-CG2 3.71Å; A109-V113 WeakPolarHBondContact O-CG2 3.14Å; A109-V113 PolarHBondContact O-N 3.45Å; C110-V113 PolarHBondContact O-N 3Å; V113-L116 PolarHBondContact O-N 3.04Å; V113-M117 WeakPolarHBondContact O-CB 3.46Å; V113-M117 PolarHBondContact O-N 2.9Å; V113-A134 HydrophobicContact CG2-CB 4.19Å; V113-L135 HydrophobicContact CB-CD2 4.37Å; V113-L135 HydrophobicContact CG1-CD1 3.9Å; V113-L135 HydrophobicContact CG1-CD2 4.06Å; V113-L135 HydrophobicContact CG1-CG 4.1Å
114E87.9Confident85.5Confident51 Ų5138.3 Ų38.324%0.23820%0.201CC..Hα-helixtrans-60.3-44.8173.1-69.7172.7-172.100111.5C110 V112 M117 L118 A152C110-E114 WeakPolarHBondContact O-CG 3.44Å; C110-E114 PolarHBondContact O-N 3.4Å; V112-E114 VanDerWaalsContact C-N 3.32Å; V112-E114 PolarHBondContact O-N 3.47Å; E114-M117 WeakPolarHBondContact O-CB 3.43Å; E114-M117 PolarHBondContact O-N 2.93Å; E114-L118 WeakPolarHBondContact O-CG 3.36Å; E114-L118 PolarHBondContact O-N 3.5Å; E114-A152 HydrophobicContact CG-CB 3.85Å; E114-A152 WeakPolarHBondContact OE1-CB 3.42Å
115E87.7Confident85.5Confident18 Ų1839.9 Ų39.98%0.08421%0.205CC..Hα-helixtrans-67.4-37.6177.1-69.4-56151.700112.6L78 K81 S111 V112 M117 L118 Q119L78-E115 HydrophobicContact CB-CG 4.34Å; K81-E115 IonicContact NZ-OE2 3.88Å; S111-E115 PolarHBondContact O-N 3.2Å; V112-E115 PolarHBondContact O-N 3.26Å; E115-M117 VanDerWaalsContact C-N 3.3Å; E115-M117 PolarHBondContact O-N 2.98Å; E115-L118 PolarHBondContact O-N 3.49Å; E115-Q119 PolarHBondContact O-N 3.04Å; E115-Q119 VanDerWaalsContact O-N 3.15Å
116L86Confident85.5Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-62.4-41173.6-172.7160.7000110.6F93 L97 V112 V113 Q119 E120 A121 F122F93-L116 HydrophobicContact CB-CD1 3.82Å; F93-L116 HydrophobicContact CD1-CB 4.31Å; F93-L116 HydrophobicContact CD1-CD1 4.4Å; F93-L116 HydrophobicContact CD2-CD1 4.32Å; F93-L116 HydrophobicContact CD2-CG 4.38Å; F93-L116 HydrophobicContact CE1-CB 4.3Å; F93-L116 HydrophobicContact CG-CB 4.49Å; F93-L116 HydrophobicContact CG-CD1 3.96Å; F93-L116 HydrophobicContact CG-CG 4.37Å; F93-L116 HydrophobicContact CZ-CB 4.47Å; L97-L116 HydrophobicContact CD1-CD1 4.35Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 PolarHBondContact O-N 2.87Å; V113-L116 PolarHBondContact O-N 3.04Å; L116-Q119 PolarHBondContact O-N 3.02Å; L116-E120 PolarHBondContact O-N 3.46Å; L116-E120 VanDerWaalsContact O-N 3.14Å; L116-A121 WeakPolarHBondContact CD2-O 3.46Å; L116-A121 HydrophobicContact CG-CB 4.36Å; L116-A121 PolarHBondContact O-N 3.23Å; L116-F122 HydrophobicContact CD2-CD1 3.39Å; L116-F122 HydrophobicContact CD2-CD2 4.04Å; L116-F122 HydrophobicContact CD2-CE1 3.03Å; L116-F122 HydrophobicContact CD2-CE2 3.77Å; L116-F122 HydrophobicContact CD2-CG 3.88Å; L116-F122 HydrophobicContact CD2-CZ 3.26Å; L116-F122 HydrophobicContact CG-CE1 4.49Å
117M85.3Confident85.6Confident1 Ų134.4 Ų34.41%0.00518%0.178CC..Hα-helixtrans-62.1-43.3172.8178.3-127.361.300111.9V113 E114 E115 Q119 E120 F122 A155 I159 M196 P197V113-M117 WeakPolarHBondContact O-CB 3.46Å; V113-M117 PolarHBondContact O-N 2.9Å; E114-M117 WeakPolarHBondContact O-CB 3.43Å; E114-M117 PolarHBondContact O-N 2.93Å; E115-M117 VanDerWaalsContact C-N 3.3Å; E115-M117 PolarHBondContact O-N 2.98Å; M117-Q119 PolarHBondContact O-N 3.47Å; M117-E120 PolarHBondContact O-N 2.94Å; M117-F122 HydrophobicContact CB-CE2 4.16Å; M117-F122 HydrophobicContact CB-CZ 4.07Å; M117-F122 HydrophobicContact CG-CE2 4.48Å; M117-A155 HydrophobicContact SD-CB 3.4Å; M117-A155 WeakPolarHBondContact SD-CB 3.24Å; M117-I159 HydrophobicContact CG-CD1 3.54Å; M117-I159 HydrophobicContact CG-CG1 4.39Å; M117-I159 HydrophobicContact SD-CD1 4.27Å; M117-M196 HydrophobicContact CE-SD 3.69Å; M117-M196 HydrophobicContact SD-SD 4.41Å; M117-P197 HydrophobicContact CE-CG 4.08Å; M117-P197 HydrophobicContact CG-CG 4.46Å; M117-P197 HydrophobicContact SD-CG 4.46Å
118L85.5Confident85.7Confident51 Ų5128.3 Ų28.327%0.26715%0.152SC..Hα-helixtrans-66-19.2178.7-70.6167.6000113.4E114 E115 G195 M196E114-L118 WeakPolarHBondContact O-CG 3.36Å; E114-L118 PolarHBondContact O-N 3.5Å; E115-L118 PolarHBondContact O-N 3.49Å; L118-G195 VanDerWaalsContact CD2-O 3.32Å; L118-G195 WeakPolarHBondContact CD2-O 3.46Å; L118-M196 HydrophobicContact CD2-SD 3.89Å
119Q83.9Confident85.7Confident47 Ų4727.6 Ų27.622%0.2215%0.146CC..THydrogen-bonded Turntrans-95.7-3.1173.5-66-178.62.100112.7F93 E115 L116 M117 A121F93-Q119 VanDerWaalsContact CZ-OE1 3.28Å; E115-Q119 PolarHBondContact O-N 3.04Å; E115-Q119 VanDerWaalsContact O-N 3.15Å; L116-Q119 PolarHBondContact O-N 3.02Å; M117-Q119 PolarHBondContact O-N 3.47Å; Q119-A121 HydrophobicContact CB-CB 4.12Å; Q119-A121 PolarHBondContact O-N 3Å; Q119-A121 VanDerWaalsContact O-N 3.14Å
120E84.4Confident85.6Confident124 Ų12428.6 Ų28.658%0.57915%0.151SC*.THydrogen-bonded Turntrans53.625.8-174.1-57.9-179145.100113.4L116 M117 F122 P197L116-E120 PolarHBondContact O-N 3.46Å; L116-E120 VanDerWaalsContact O-N 3.14Å; M117-E120 PolarHBondContact O-N 2.94Å; E120-F122 VanDerWaalsContact C-N 3.33Å; E120-F122 PolarHBondContact O-N 3.19Å; E120-P197 HydrophobicContact CG-CB 3.9Å; E120-P197 HydrophobicContact CG-CG 4.15Å; E120-P197 WeakPolarHBondContact OE1-CB 3.5Å
121A80.1Confident85.6Confident13 Ų1328.3 Ų28.311%0.10715%0.15CC..  trans-84.967.3-169.800000112.2D90 L116 Q119D90-A121 WeakPolarHBondContact OD1-CB 3.31Å; L116-A121 WeakPolarHBondContact CD2-O 3.46Å; L116-A121 HydrophobicContact CG-CB 4.36Å; L116-A121 PolarHBondContact O-N 3.23Å; Q119-A121 HydrophobicContact CB-CB 4.12Å; Q119-A121 PolarHBondContact O-N 3Å; Q119-A121 VanDerWaalsContact O-N 3.14Å
122F78.2Confident85.5Confident3 Ų327.4 Ų27.41%0.01314%0.143CC..  trans-115.430-178.6-65.9-76.7000113.2L116 M117 E120 Q128 I159 C160 K163L116-F122 HydrophobicContact CD2-CD1 3.39Å; L116-F122 HydrophobicContact CD2-CD2 4.04Å; L116-F122 HydrophobicContact CD2-CE1 3.03Å; L116-F122 HydrophobicContact CD2-CE2 3.77Å; L116-F122 HydrophobicContact CD2-CG 3.88Å; L116-F122 HydrophobicContact CD2-CZ 3.26Å; L116-F122 HydrophobicContact CG-CE1 4.49Å; M117-F122 HydrophobicContact CB-CE2 4.16Å; M117-F122 HydrophobicContact CB-CZ 4.07Å; M117-F122 HydrophobicContact CG-CE2 4.48Å; E120-F122 VanDerWaalsContact C-N 3.33Å; E120-F122 PolarHBondContact O-N 3.19Å; F122-Q128 HydrophobicContact CB-CG 4.31Å; F122-Q128 HydrophobicContact CD1-CG 4.36Å; F122-Q128 PolarHBondContact O-NE2 2.94Å; F122-I159 HydrophobicContact CD2-CB 4.46Å; F122-I159 HydrophobicContact CD2-CG2 3.44Å; F122-I159 VanDerWaalsContact CD2-CG2 3.44Å; F122-I159 HydrophobicContact CE2-CB 3.95Å; F122-I159 HydrophobicContact CE2-CG2 3.35Å; F122-I159 HydrophobicContact CG-CG2 4.46Å; F122-I159 HydrophobicContact CZ-CG2 4.35Å; F122-C160 HydrophobicContact CE1-CB 4.46Å; F122-C160 WeakPolarHBondContact CE1-SG 3.31Å; F122-C160 VanDerWaalsContact CZ-SG 3.57Å; F122-K163 HydrophobicContact CB-CG 4.39Å
123D80.9Confident85.4Confident125 Ų12528.5 Ų28.567%0.66815%0.149SC*.  trans-72.1-33-174.1-68.9-28.3000112.6
124L85.1Confident85.3Confident18 Ų1828.5 Ų28.59%0.09415%0.149CC..SBendtrans-89.4135.6-178.9-62-176.7000112.4D90 S126 T127 Q128D90-L124 HydrophobicContact CB-CB 4.45Å; D90-L124 HydrophobicContact CB-CD1 3.53Å; D90-L124 HydrophobicContact CB-CG 3.85Å; L124-S126 PolarHBondContact O-N 3.22Å; L124-T127 HydrophobicContact CB-CG2 4.2Å; L124-T127 PolarHBondContact O-N 2.97Å; L124-T127 PolarHBondContact O-OG1 3.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.22Å; L124-Q128 PolarHBondContact O-N 3.08Å
125P85.3Confident85.1Confident69 Ų6926.1 Ų26.145%0.44814%0.138SC..Hα-helixtrans-59.7-31.4173.2-24.934.6000113.3Q128 I129 A313P125-Q128 PolarHBondContact O-N 3.43Å; P125-I129 WeakPolarHBondContact O-CD1 3.32Å; P125-I129 VanDerWaalsContact O-CG1 3.24Å; P125-I129 WeakPolarHBondContact O-CG1 3.45Å; P125-I129 PolarHBondContact O-N 2.62Å; P125-A313 HydrophobicContact CB-CB 4.43Å
126S86.7Confident84.9Confident3 Ų325.3 Ų25.32%0.02114%0.135CC..Hα-helixtrans-65.3-42.4177.856.60000112.7N94 L124 Q128 I129 L130 D317N94-S126 PolarHBondContact ND2-OG 2.85Å; L124-S126 PolarHBondContact O-N 3.22Å; S126-Q128 VanDerWaalsContact C-N 3.29Å; S126-Q128 PolarHBondContact O-N 3.06Å; S126-I129 PolarHBondContact O-N 3.5Å; S126-L130 WeakPolarHBondContact O-CB 3.46Å; S126-L130 WeakPolarHBondContact O-CG 3.28Å; S126-L130 PolarHBondContact O-N 3.18Å; S126-D317 WeakPolarHBondContact CB-OD2 3.42Å; S126-D317 PolarHBondContact OG-OD2 3.5Å
127T87.3Confident84.5Confident0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-62.7-40.5176.857.10000110.7D90 N94 L124 L130 S131D90-T127 HydrophobicContact CB-CG2 3.74Å; D90-T127 WeakPolarHBondContact O-CG2 3.5Å; N94-T127 WeakPolarHBondContact OD1-CA 3.49Å; N94-T127 WeakPolarHBondContact OD1-CG2 3.5Å; L124-T127 HydrophobicContact CB-CG2 4.2Å; L124-T127 PolarHBondContact O-N 2.97Å; L124-T127 PolarHBondContact O-OG1 3.35Å; T127-L130 PolarHBondContact O-N 3.46Å; T127-S131 VanDerWaalsContact O-CB 3.23Å; T127-S131 WeakPolarHBondContact O-CB 3.24Å; T127-S131 PolarHBondContact O-N 3.18Å; T127-S131 PolarHBondContact O-OG 2.78Å; T127-S131 VanDerWaalsContact O-OG 3.07Å
128Q88.1Confident84.2Confident22 Ų2226.9 Ų26.910%0.10314%0.143CC..Hα-helixtrans-65.8-40.8178.1-58.5168.813.200112.6F122 L124 P125 S126 S131 L132F122-Q128 HydrophobicContact CB-CG 4.31Å; F122-Q128 HydrophobicContact CD1-CG 4.36Å; F122-Q128 PolarHBondContact O-NE2 2.94Å; L124-Q128 WeakPolarHBondContact O-CG 3.22Å; L124-Q128 PolarHBondContact O-N 3.08Å; P125-Q128 PolarHBondContact O-N 3.43Å; S126-Q128 VanDerWaalsContact C-N 3.29Å; S126-Q128 PolarHBondContact O-N 3.06Å; Q128-S131 WeakPolarHBondContact CA-OG 3.42Å; Q128-S131 PolarHBondContact O-OG 3.21Å; Q128-L132 WeakPolarHBondContact O-CB 3.47Å; Q128-L132 VanDerWaalsContact O-CG 3.24Å; Q128-L132 WeakPolarHBondContact O-CG 3.48Å; Q128-L132 PolarHBondContact O-N 3.39Å; Q128-L132 VanDerWaalsContact O-N 3.17Å
129I86.8Confident83.8Confident8 Ų826.3 Ų26.34%0.04114%0.14CC..Hα-helixtrans-66.9-46.5177.4-68.4162.5000110.2P125 S126 L132 N133 M305 A306 N309 L310P125-I129 WeakPolarHBondContact O-CD1 3.32Å; P125-I129 VanDerWaalsContact O-CG1 3.24Å; P125-I129 WeakPolarHBondContact O-CG1 3.45Å; P125-I129 PolarHBondContact O-N 2.62Å; S126-I129 PolarHBondContact O-N 3.5Å; I129-L132 PolarHBondContact O-N 3.14Å; I129-N133 WeakPolarHBondContact O-CB 3.35Å; I129-N133 PolarHBondContact O-N 3.04Å; I129-M305 HydrophobicContact CB-CE 4.43Å; I129-M305 HydrophobicContact CG1-CE 3.56Å; I129-A306 HydrophobicContact CG2-CB 3.7Å; I129-N309 HydrophobicContact CD1-CB 3.88Å; I129-L310 HydrophobicContact CG2-CD1 4.35Å
130L86.9Confident83.3Confident21 Ų2126.6 Ų26.611%0.1115%0.151CC..Hα-helixtrans-67.1-39.5-179.1-71.4173.5000112.1N94 L97 I101 S126 T127 N133 A134 L310N94-L130 HydrophobicContact CB-CD1 4Å; L97-L130 HydrophobicContact CD1-CB 4.39Å; I101-L130 HydrophobicContact CD1-CD2 4.21Å; S126-L130 WeakPolarHBondContact O-CB 3.46Å; S126-L130 WeakPolarHBondContact O-CG 3.28Å; S126-L130 PolarHBondContact O-N 3.18Å; T127-L130 PolarHBondContact O-N 3.46Å; L130-N133 PolarHBondContact O-N 2.87Å; L130-A134 PolarHBondContact O-N 2.99Å; L130-L310 HydrophobicContact CD2-CD1 4.27Å; L130-L310 HydrophobicContact CG-CD1 4.2Å
131S87.3Confident82.7Confident0 Ų025.1 Ų25.10%015%0.15CC..Hα-helixtrans-63.2-47.2176.864.70000111.2T127 Q128 N133 A134 L135 C160T127-S131 VanDerWaalsContact O-CB 3.23Å; T127-S131 WeakPolarHBondContact O-CB 3.24Å; T127-S131 PolarHBondContact O-N 3.18Å; T127-S131 PolarHBondContact O-OG 2.78Å; T127-S131 VanDerWaalsContact O-OG 3.07Å; Q128-S131 WeakPolarHBondContact CA-OG 3.42Å; Q128-S131 PolarHBondContact O-OG 3.21Å; S131-N133 VanDerWaalsContact C-N 3.29Å; S131-N133 PolarHBondContact O-N 3.11Å; S131-A134 PolarHBondContact O-N 2.84Å; S131-L135 VanDerWaalsContact O-CG 3.24Å; S131-L135 WeakPolarHBondContact O-CG 3.32Å; S131-L135 PolarHBondContact O-N 2.96Å; S131-C160 PolarHBondContact OG-SG 3.21Å
132L86.2Confident82.1Confident0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-62.9-36.8176.8-70.7173.4000112.1Q128 I129 L135 G136 L157 C160 V168 A172 V302Q128-L132 WeakPolarHBondContact O-CB 3.47Å; Q128-L132 VanDerWaalsContact O-CG 3.24Å; Q128-L132 WeakPolarHBondContact O-CG 3.48Å; Q128-L132 PolarHBondContact O-N 3.39Å; Q128-L132 VanDerWaalsContact O-N 3.17Å; I129-L132 PolarHBondContact O-N 3.14Å; L132-L135 PolarHBondContact O-N 3.41Å; L132-G136 PolarHBondContact O-N 2.92Å; L132-L157 HydrophobicContact CD2-CD2 4.3Å; L132-C160 HydrophobicContact CD2-CB 3.69Å; L132-C160 HydrophobicContact CG-CB 4.05Å; L132-V168 HydrophobicContact CD1-CG1 4.04Å; L132-A172 HydrophobicContact CD2-CB 3.75Å; L132-V302 HydrophobicContact CB-CG1 4.05Å
133N87.7Confident81.6Confident24 Ų2434.5 Ų34.513%0.12819%0.192CC..Hα-helixtrans-65.8-43176.8-171.949.1000111.7I129 L130 S131 G136 C137 V302I129-N133 WeakPolarHBondContact O-CB 3.35Å; I129-N133 PolarHBondContact O-N 3.04Å; L130-N133 PolarHBondContact O-N 2.87Å; S131-N133 VanDerWaalsContact C-N 3.29Å; S131-N133 PolarHBondContact O-N 3.11Å; N133-G136 PolarHBondContact O-N 3.42Å; N133-C137 WeakPolarHBondContact O-CB 3.06Å; N133-C137 PolarHBondContact O-N 3.08Å; N133-C137 PolarHBondContact O-SG 3.47Å; N133-V302 HydrophobicContact CB-CG1 3.81Å
134A85.1Confident80.8Confident0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-61.1-47.1174.500000111.6I101 A109 V113 L130 S131 C137 F138I101-A134 HydrophobicContact CD1-CB 4.45Å; A109-A134 HydrophobicContact CB-CB 4.02Å; V113-A134 HydrophobicContact CG2-CB 4.19Å; L130-A134 PolarHBondContact O-N 2.99Å; S131-A134 PolarHBondContact O-N 2.84Å; A134-C137 PolarHBondContact O-N 3.46Å; A134-F138 WeakPolarHBondContact O-CB 3.42Å; A134-F138 PolarHBondContact O-N 3.34Å
135L83.6Confident80Confident1 Ų139.2 Ų39.21%0.00521%0.211CC..Hα-helixtrans-66.5-40179.7-62.6169.3000112.1V113 S131 L132 F138 L139 L153 L157V113-L135 HydrophobicContact CB-CD2 4.37Å; V113-L135 HydrophobicContact CG1-CD1 3.9Å; V113-L135 HydrophobicContact CG1-CD2 4.06Å; V113-L135 HydrophobicContact CG1-CG 4.1Å; S131-L135 VanDerWaalsContact O-CG 3.24Å; S131-L135 WeakPolarHBondContact O-CG 3.32Å; S131-L135 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 3.41Å; L135-F138 PolarHBondContact O-N 2.87Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CG 3.34Å; L135-L139 PolarHBondContact O-N 3.28Å; L135-L153 HydrophobicContact CB-CD1 4.42Å; L135-L153 HydrophobicContact CD2-CD1 3.53Å; L135-L153 HydrophobicContact CG-CD1 4.46Å; L135-L157 HydrophobicContact CB-CD2 3.91Å; L135-L157 HydrophobicContact CD1-CD2 3.69Å; L135-L157 HydrophobicContact CD1-CG 4.01Å; L135-L157 HydrophobicContact CG-CD2 4.41Å
136G81.8Confident79.7Confident2 Ų238.6 Ų38.62%0.02121%0.208CC..Hα-helixtrans-63.7-42.5176.400000112.8L132 N133 A140L132-G136 PolarHBondContact O-N 2.92Å; N133-G136 PolarHBondContact O-N 3.42Å; G136-A140 PolarHBondContact O-N 3.06Å; G136-A140 VanDerWaalsContact O-N 3.08Å
137C78.2Confident79.4Confident13 Ų1340 Ų409%0.08822%0.217CC..Hα-helixtrans-66.5-36.4174.2-71.50000112.6F106 N133 A134 A140 T141 Q299F106-C137 HydrophobicContact CD1-CB 3.47Å; F106-C137 VanDerWaalsContact CD1-CB 3.47Å; F106-C137 HydrophobicContact CD2-CB 4.4Å; F106-C137 HydrophobicContact CE1-CB 3.42Å; F106-C137 VanDerWaalsContact CE1-CB 3.42Å; F106-C137 HydrophobicContact CE2-CB 4.35Å; F106-C137 HydrophobicContact CG-CB 3.99Å; F106-C137 HydrophobicContact CZ-CB 3.89Å; N133-C137 WeakPolarHBondContact O-CB 3.06Å; N133-C137 PolarHBondContact O-N 3.08Å; N133-C137 PolarHBondContact O-SG 3.47Å; A134-C137 PolarHBondContact O-N 3.46Å; C137-A140 PolarHBondContact O-N 3.19Å; C137-T141 PolarHBondContact O-N 3.38Å; C137-T141 PolarHBondContact O-OG1 3.47Å; C137-T141 VanDerWaalsContact O-OG1 3.1Å; C137-Q299 PolarHBondContact SG-NE2 2.97Å; C137-Q299 VanDerWaalsContact SG-NE2 3.41Å
138F79.2Confident79.1Confident21 Ų2143 Ų439%0.09224%0.238CC..Hα-helixtrans-66.8-45.4175.8179.8-106.8000112.3F106 K107 C110 A134 L135 A140 T141 P143 L145 L153F106-F138 HydrophobicContact CB-CB 4.33Å; F106-F138 HydrophobicContact CB-CD2 4.47Å; K107-F138 HydrophobicContact CG-CE2 4.08Å; C110-F138 HydrophobicContact CB-CG 4.44Å; C110-F138 WeakPolarHBondContact SG-CB 3.38Å; C110-F138 VanDerWaalsContact SG-CD1 3.56Å; C110-F138 WeakPolarHBondContact SG-CG 2.97Å; A134-F138 WeakPolarHBondContact O-CB 3.42Å; A134-F138 PolarHBondContact O-N 3.34Å; L135-F138 PolarHBondContact O-N 2.87Å; F138-A140 VanDerWaalsContact C-N 3.29Å; F138-A140 PolarHBondContact O-N 3.14Å; F138-T141 VanDerWaalsContact O-CB 3.31Å; F138-T141 WeakPolarHBondContact O-CB 3.45Å; F138-T141 PolarHBondContact O-N 3.34Å; F138-P143 HydrophobicContact CE1-CG 3.98Å; F138-P143 HydrophobicContact CE2-CG 4Å; F138-P143 HydrophobicContact CZ-CG 3.64Å; F138-L145 HydrophobicContact CE1-CD2 3.83Å; F138-L145 HydrophobicContact CZ-CD2 4.1Å; F138-L153 HydrophobicContact CD1-CD1 4.29Å; F138-L153 HydrophobicContact CD1-CD2 4.27Å; F138-L153 HydrophobicContact CE1-CD2 4.16Å
139L76.6Confident78.8Confident39 Ų3946 Ų4620%0.20425%0.252CS..Hα-helixtrans-60.3-37.8175.4-78.9171.4000112.6L135 T141 K142 L153 L157 L175 F298L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CG 3.34Å; L135-L139 PolarHBondContact O-N 3.28Å; L139-T141 PolarHBondContact O-N 3.1Å; L139-K142 PolarHBondContact O-N 3.13Å; L139-L153 HydrophobicContact CD2-CD2 3.61Å; L139-L153 HydrophobicContact CG-CD2 4.27Å; L139-L157 HydrophobicContact CD1-CD1 4.11Å; L139-L175 HydrophobicContact CD1-CD1 3.95Å; L139-F298 HydrophobicContact CD1-CD1 4.47Å; L139-F298 HydrophobicContact CD1-CE1 4.47Å
140A74.8Confident78.6Confident53 Ų5346.3 Ų46.344%0.43825%0.253SS..Hα-helixtrans-61.8-24.7175.900000113G136 C137 F138 K142 Q299G136-A140 PolarHBondContact O-N 3.06Å; G136-A140 VanDerWaalsContact O-N 3.08Å; C137-A140 PolarHBondContact O-N 3.19Å; F138-A140 VanDerWaalsContact C-N 3.29Å; F138-A140 PolarHBondContact O-N 3.14Å; A140-K142 PolarHBondContact O-N 2.66Å; A140-Q299 HydrophobicContact CB-CB 4.46Å; A140-Q299 VanDerWaalsContact CB-OE1 3.22Å
141T71.6Confident78.6Confident92 Ų9248 Ų4856%0.56426%0.258SS*.THydrogen-bonded Turntrans-76.4-8.7177.3-49.10000112.3C137 F138 L139C137-T141 PolarHBondContact O-N 3.38Å; C137-T141 PolarHBondContact O-OG1 3.47Å; C137-T141 VanDerWaalsContact O-OG1 3.1Å; F138-T141 VanDerWaalsContact O-CB 3.31Å; F138-T141 WeakPolarHBondContact O-CB 3.45Å; F138-T141 PolarHBondContact O-N 3.34Å; L139-T141 PolarHBondContact O-N 3.1Å
142K66.4Low78.6Confident176 Ų17648.3 Ų48.377%0.76526%0.26SS*.  trans38.158.2-177.6-65.3-168.1178-168.40114L139 A140L139-K142 PolarHBondContact O-N 3.13Å; A140-K142 PolarHBondContact O-N 2.66Å
143P68.7Low78.6Confident38 Ų3848.5 Ų48.525%0.24726%0.261CS..  trans-66.7151.5176.227.4-31.2000111.4F138 L145F138-P143 HydrophobicContact CE1-CG 3.98Å; F138-P143 HydrophobicContact CE2-CG 4Å; F138-P143 HydrophobicContact CZ-CG 3.64Å; P143-L145 HydrophobicContact CG-CD2 4.13Å; P143-L145 HydrophobicContact CG-CG 4.14Å; P143-L145 PolarHBondContact O-N 3.5Å; P143-L145 VanDerWaalsContact O-N 3.09Å
144Q63.3Low78.5Confident197 Ų19747.4 Ų47.492%0.92126%0.255SS*.  trans-67.4104.9162.9-69.9179.3-0.600107.5
145L69.1Low78.6Confident45 Ų4547.4 Ų47.424%0.23626%0.255CS..  trans-86.9133.5-174.6-70.3150.2000110.3F138 P143 E149 E150 L153F138-L145 HydrophobicContact CE1-CD2 3.83Å; F138-L145 HydrophobicContact CZ-CD2 4.1Å; P143-L145 HydrophobicContact CG-CD2 4.13Å; P143-L145 HydrophobicContact CG-CG 4.14Å; P143-L145 PolarHBondContact O-N 3.5Å; P143-L145 VanDerWaalsContact O-N 3.09Å; L145-E149 HydrophobicContact CD2-CB 3.85Å; L145-E150 HydrophobicContact CB-CG 3.56Å; L145-E150 HydrophobicContact CD1-CG 4.36Å; L145-E150 HydrophobicContact CG-CG 4.47Å; L145-L153 HydrophobicContact CD1-CD2 4.23Å; L145-L153 HydrophobicContact CD2-CD2 4.28Å
146S79Confident78.8Confident56 Ų5647.4 Ų47.439%0.39226%0.255SS..  trans-68.9149.8162.5168.50000109.7S148 E149 E150S146-S148 PolarHBondContact O-N 3.49Å; S146-S148 PolarHBondContact OG-N 2.87Å; S146-S148 PolarHBondContact OG-OG 3.46Å; S146-E149 PolarHBondContact N-OE2 3.34Å; S146-E149 WeakPolarHBondContact O-CA 3.17Å; S146-E149 WeakPolarHBondContact O-CB 3.17Å; S146-E149 PolarHBondContact O-N 3.3Å; S146-E150 PolarHBondContact O-N 3.43Å
147V79.4Confident79Confident32 Ų3247.3 Ų47.319%0.19425%0.254CS..Hα-helixtrans-52.6-29.6173.4-176.10000112.3R151 V183 L186 K187V147-R151 WeakPolarHBondContact O-CB 3.42Å; V147-R151 PolarHBondContact O-N 3.17Å; V147-R151 VanDerWaalsContact O-N 3.12Å; V147-V183 HydrophobicContact CG1-CB 4.42Å; V147-V183 HydrophobicContact CG1-CG1 3.98Å; V147-V183 HydrophobicContact CG1-CG2 3.99Å; V147-L186 HydrophobicContact CG2-CD1 4.4Å; V147-K187 HydrophobicContact CB-CD 4.39Å; V147-K187 HydrophobicContact CG1-CD 3.62Å; V147-K187 VanDerWaalsContact CG1-CE 3.48Å; V147-K187 HydrophobicContact CG1-CG 4.19Å
148S80.8Confident79.5Confident63 Ų6347.3 Ų47.344%0.44125%0.253SS..Hα-helixtrans-70.7-37.2174.757.50000113.5S146 A152S146-S148 PolarHBondContact O-N 3.49Å; S146-S148 PolarHBondContact OG-N 2.87Å; S146-S148 PolarHBondContact OG-OG 3.46Å; S148-A152 PolarHBondContact O-N 3.5Å; S148-A152 VanDerWaalsContact O-N 3.14Å
149E82.7Confident79.8Confident86 Ų8647.3 Ų47.340%0.40225%0.254SS..Hα-helixtrans-75.2-39.1177.9-63.8172.8158.300110L145 S146 R151 A152 L153L145-E149 HydrophobicContact CD2-CB 3.85Å; S146-E149 PolarHBondContact N-OE2 3.34Å; S146-E149 WeakPolarHBondContact O-CA 3.17Å; S146-E149 WeakPolarHBondContact O-CB 3.17Å; S146-E149 PolarHBondContact O-N 3.3Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.37Å; E149-A152 PolarHBondContact O-N 2.97Å; E149-L153 WeakPolarHBondContact O-CB 3.31Å; E149-L153 PolarHBondContact O-N 3.25Å
150E83.1Confident80.2Confident13 Ų1345.5 Ų45.56%0.06125%0.245CC..Hα-helixtrans-57.6-41.6171.4-65.6-175.5153.600111.3L145 S146 G154 K182 V183L145-E150 HydrophobicContact CB-CG 3.56Å; L145-E150 HydrophobicContact CD1-CG 4.36Å; L145-E150 HydrophobicContact CG-CG 4.47Å; S146-E150 PolarHBondContact O-N 3.43Å; E150-G154 PolarHBondContact O-N 2.95Å; E150-K182 WeakPolarHBondContact OE1-CE 3.31Å; E150-K182 IonicContact OE1-NZ 3.78Å; E150-K182 PolarHBondContact OE1-NZ 2.97Å; E150-K182 IonicContact OE2-NZ 3.66Å; E150-V183 HydrophobicContact CB-CG2 4.12Å
151R86.9Confident80.5Confident58 Ų5843 Ų4322%0.21922%0.224CC..Hα-helixtrans-61.9-48.7175-175.8-178.566.6151.28.2112.1V147 E149 G154 A155 L180 V183 A191 K194 M196V147-R151 WeakPolarHBondContact O-CB 3.42Å; V147-R151 PolarHBondContact O-N 3.17Å; V147-R151 VanDerWaalsContact O-N 3.12Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.37Å; R151-G154 PolarHBondContact O-N 3.02Å; R151-A155 WeakPolarHBondContact O-CB 3.41Å; R151-A155 PolarHBondContact O-N 3.17Å; R151-L180 HydrophobicContact CG-CD2 4.43Å; R151-V183 HydrophobicContact CB-CG1 4.34Å; R151-V183 HydrophobicContact CB-CG2 4.13Å; R151-A191 WeakPolarHBondContact CD-O 3.35Å; R151-A191 PolarHBondContact NH1-O 3Å; R151-K194 PolarHBondContact NH1-O 2.94Å; R151-M196 HydrophobicContact CG-CE 4.31Å
152A86Confident81.1Confident6 Ų643.5 Ų43.55%0.0522%0.223CC..Hα-helixtrans-68.7-40.2-17700000111.8E114 S148 E149 S156 M196E114-A152 HydrophobicContact CG-CB 3.85Å; E114-A152 WeakPolarHBondContact OE1-CB 3.42Å; S148-A152 PolarHBondContact O-N 3.5Å; S148-A152 VanDerWaalsContact O-N 3.14Å; E149-A152 PolarHBondContact O-N 2.97Å; A152-S156 WeakPolarHBondContact O-CB 3.27Å; A152-S156 PolarHBondContact O-N 3.29Å; A152-S156 PolarHBondContact O-OG 3.26Å; A152-M196 HydrophobicContact CB-CE 3.92Å
153L86.3Confident81.8Confident4 Ų441 Ų412%0.02121%0.212CC..Hα-helixtrans-64.3-45.1173.6-175.457.9000111.6L135 F138 L139 L145 E149 A155 S156 L157 L179L135-L153 HydrophobicContact CB-CD1 4.42Å; L135-L153 HydrophobicContact CD2-CD1 3.53Å; L135-L153 HydrophobicContact CG-CD1 4.46Å; F138-L153 HydrophobicContact CD1-CD1 4.29Å; F138-L153 HydrophobicContact CD1-CD2 4.27Å; F138-L153 HydrophobicContact CE1-CD2 4.16Å; L139-L153 HydrophobicContact CD2-CD2 3.61Å; L139-L153 HydrophobicContact CG-CD2 4.27Å; L145-L153 HydrophobicContact CD1-CD2 4.23Å; L145-L153 HydrophobicContact CD2-CD2 4.28Å; E149-L153 WeakPolarHBondContact O-CB 3.31Å; E149-L153 PolarHBondContact O-N 3.25Å; L153-A155 PolarHBondContact O-N 3.02Å; L153-S156 WeakPolarHBondContact CA-OG 3.43Å; L153-S156 PolarHBondContact O-N 2.92Å; L153-S156 PolarHBondContact O-OG 3.29Å; L153-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CG 4.37Å; L153-L157 HydrophobicContact CG-CD1 4.07Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 3.49Å; L153-L179 HydrophobicContact CB-CD1 4.28Å; L153-L179 HydrophobicContact CD2-CD1 3.93Å; L153-L179 HydrophobicContact CG-CD1 3.85Å
154G86.1Confident82.2Confident0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-62.3-43.917800000112.6E150 R151 L158 G176E150-G154 PolarHBondContact O-N 2.95Å; R151-G154 PolarHBondContact O-N 3.02Å; G154-L158 WeakPolarHBondContact O-CB 2.89Å; G154-L158 PolarHBondContact O-N 3.02Å; G154-G176 VanDerWaalsContact O-CA 3.27Å; G154-G176 WeakPolarHBondContact O-CA 3.37Å
155A87.6Confident82.8Confident0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-66.1-45.6178.200000112.1M117 R151 L153 L158 I159 L180 L198M117-A155 HydrophobicContact SD-CB 3.4Å; M117-A155 WeakPolarHBondContact SD-CB 3.24Å; R151-A155 WeakPolarHBondContact O-CB 3.41Å; R151-A155 PolarHBondContact O-N 3.17Å; L153-A155 PolarHBondContact O-N 3.02Å; A155-L158 PolarHBondContact O-N 2.86Å; A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 2.87Å; A155-L180 HydrophobicContact CB-CD2 4.39Å; A155-L198 HydrophobicContact CB-CD1 3.91Å; A155-L198 HydrophobicContact CB-CD2 4.32Å; A155-L198 HydrophobicContact CB-CG 4.32Å
156S86.4Confident83.5Confident1 Ų138 Ų381%0.00720%0.2CC..Hα-helixtrans-63-43.5178.654.90000112.5A152 L153 C160A152-S156 WeakPolarHBondContact O-CB 3.27Å; A152-S156 PolarHBondContact O-N 3.29Å; A152-S156 PolarHBondContact O-OG 3.26Å; L153-S156 WeakPolarHBondContact CA-OG 3.43Å; L153-S156 PolarHBondContact O-N 2.92Å; L153-S156 PolarHBondContact O-OG 3.29Å; S156-C160 WeakPolarHBondContact O-CB 3.39Å; S156-C160 PolarHBondContact O-N 2.95Å; S156-C160 PolarHBondContact O-SG 2.86Å
157L87.4Confident83.7Confident0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-62.7-41.3175.1-73.4168.4000112.5L132 L135 L139 L153 G161 A172 L175 L179L132-L157 HydrophobicContact CD2-CD2 4.3Å; L135-L157 HydrophobicContact CB-CD2 3.91Å; L135-L157 HydrophobicContact CD1-CD2 3.69Å; L135-L157 HydrophobicContact CD1-CG 4.01Å; L135-L157 HydrophobicContact CG-CD2 4.41Å; L139-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CG 4.37Å; L153-L157 HydrophobicContact CG-CD1 4.07Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 3.49Å; L157-G161 PolarHBondContact O-N 3.42Å; L157-A172 HydrophobicContact CD2-CB 4.25Å; L157-L175 HydrophobicContact CD1-CB 4.04Å; L157-L179 HydrophobicContact CD1-CD1 4.23Å
158L87.6Confident83.9Confident13 Ų1335.3 Ų35.37%0.06818%0.181CC..Hα-helixtrans-63.3-50.2179.4179.962.2000111.3G154 A155 G161 L162 L180 L198 Y204G154-L158 WeakPolarHBondContact O-CB 2.89Å; G154-L158 PolarHBondContact O-N 3.02Å; A155-L158 PolarHBondContact O-N 2.86Å; L158-G161 PolarHBondContact O-N 3.18Å; L158-L162 HydrophobicContact CD1-CD1 4.5Å; L158-L162 HydrophobicContact CD1-CG 4.35Å; L158-L162 HydrophobicContact CG-CD1 4.36Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.25Å; L158-L180 HydrophobicContact CB-CD1 4.42Å; L158-L180 HydrophobicContact CD2-CD1 3.78Å; L158-L198 HydrophobicContact CD2-CD2 4.07Å; L158-Y204 HydrophobicContact CD2-CE1 4.11Å
159I86.9Confident84.2Confident22 Ų2232.3 Ų32.311%0.11316%0.16CC..Hα-helixtrans-68.4-40.1-176.4-58.9-179.2000111.1M117 F122 A155 G161 P197M117-I159 HydrophobicContact CG-CD1 3.54Å; M117-I159 HydrophobicContact CG-CG1 4.39Å; M117-I159 HydrophobicContact SD-CD1 4.27Å; F122-I159 HydrophobicContact CD2-CB 4.46Å; F122-I159 HydrophobicContact CD2-CG2 3.44Å; F122-I159 VanDerWaalsContact CD2-CG2 3.44Å; F122-I159 HydrophobicContact CE2-CB 3.95Å; F122-I159 HydrophobicContact CE2-CG2 3.35Å; F122-I159 HydrophobicContact CG-CG2 4.46Å; F122-I159 HydrophobicContact CZ-CG2 4.35Å; A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 2.87Å; I159-G161 VanDerWaalsContact C-N 3.33Å; I159-G161 PolarHBondContact O-N 2.82Å; I159-P197 HydrophobicContact CD1-CB 4.44Å; I159-P197 HydrophobicContact CD1-CG 3.75Å
160C83.9Confident84.3Confident0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-60.1-45.4172-65.80000111.2F122 S131 L132 S156 L162 K163F122-C160 HydrophobicContact CE1-CB 4.46Å; F122-C160 WeakPolarHBondContact CE1-SG 3.31Å; F122-C160 VanDerWaalsContact CZ-SG 3.57Å; S131-C160 PolarHBondContact OG-SG 3.21Å; L132-C160 HydrophobicContact CD2-CB 3.69Å; L132-C160 HydrophobicContact CG-CB 4.05Å; S156-C160 WeakPolarHBondContact O-CB 3.39Å; S156-C160 PolarHBondContact O-N 2.95Å; S156-C160 PolarHBondContact O-SG 2.86Å; C160-L162 PolarHBondContact O-N 3.42Å; C160-K163 PolarHBondContact O-N 3.46Å
161G82.1Confident84.4Confident0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-66.6-34.6-176.200000113.2L157 L158 I159 K163 Q164 Q173L157-G161 PolarHBondContact O-N 3.42Å; L158-G161 PolarHBondContact O-N 3.18Å; I159-G161 VanDerWaalsContact C-N 3.33Å; I159-G161 PolarHBondContact O-N 2.82Å; G161-K163 PolarHBondContact O-N 3.31Å; G161-Q164 PolarHBondContact O-N 3.14Å; G161-Q173 VanDerWaalsContact C-NE2 3.32Å; G161-Q173 PolarHBondContact O-NE2 2.89Å
162L83.4Confident84.5Confident104 Ų10426 Ų2655%0.54513%0.133SC..Hα-helixtrans-63.7-21.6178.5-75.1173.2000113.8L158 C160L158-L162 HydrophobicContact CD1-CD1 4.5Å; L158-L162 HydrophobicContact CD1-CG 4.35Å; L158-L162 HydrophobicContact CG-CD1 4.36Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.25Å; C160-L162 PolarHBondContact O-N 3.42Å
163K80.6Confident84.6Confident123 Ų12326 Ų2654%0.53513%0.132SC..THydrogen-bonded Turntrans-89.2-7.3179.7-60.5-65.4-175.4169.90113.4F122 C160 G161F122-K163 HydrophobicContact CB-CG 4.39Å; C160-K163 PolarHBondContact O-N 3.46Å; G161-K163 PolarHBondContact O-N 3.31Å
164Q77.1Confident84.8Confident10 Ų1025.9 Ų25.95%0.04713%0.131CC..  trans-120.2128-175-64.4-173.6-100112G161 N166G161-Q164 PolarHBondContact O-N 3.14Å; Q164-N166 VanDerWaalsContact C-N 3.29Å
165D77.1Confident84.8Confident131 Ų13126.3 Ų26.370%0.70113%0.133SC*.  trans-9212.2175.4-62.2-38.1000113F170D165-F170 WeakPolarHBondContact O-CE2 3.47Å
166N82.7Confident84.9Confident76 Ų7626.3 Ų26.341%0.40613%0.133SC..SBendtrans-87.5162.9-178.3-63.8-14.4000111.6Q164 V168 G169 F170Q164-N166 VanDerWaalsContact C-N 3.29Å; N166-V168 PolarHBondContact O-N 3.42Å; N166-V168 VanDerWaalsContact O-N 3.14Å; N166-G169 WeakPolarHBondContact O-CA 3.3Å; N166-G169 PolarHBondContact O-N 2.8Å; N166-F170 VanDerWaalsContact O-CD2 3.31Å; N166-F170 WeakPolarHBondContact O-CD2 3.5Å; N166-F170 PolarHBondContact O-N 2.73Å
167T83.1Confident85.1Confident25 Ų2526.4 Ų26.415%0.15313%0.134CC..Hα-helixtrans-43.4-43.6166.3-600000112.5S171 D221 R223T167-S171 WeakPolarHBondContact O-CB 3.14Å; T167-S171 PolarHBondContact O-N 2.8Å; T167-S171 PolarHBondContact O-OG 3.06Å; T167-D221 PolarHBondContact OG1-O 3.42Å; T167-R223 HydrophobicContact CG2-CB 4.02Å; T167-R223 WeakPolarHBondContact CG2-O 3.21Å; T167-R223 PolarHBondContact OG1-N 2.96Å
168V84.9Confident85.2Confident7 Ų726.6 Ų26.64%0.04214%0.135CC..Hα-helixtrans-66.4-38.4177.6-178.40000112L132 N166 S171 A172 F298 L301 V302 M305L132-V168 HydrophobicContact CD1-CG1 4.04Å; N166-V168 PolarHBondContact O-N 3.42Å; N166-V168 VanDerWaalsContact O-N 3.14Å; V168-S171 VanDerWaalsContact CA-OG 3.26Å; V168-S171 WeakPolarHBondContact CA-OG 3.39Å; V168-S171 PolarHBondContact O-OG 3.3Å; V168-A172 VanDerWaalsContact O-CB 3.28Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.47Å; V168-F298 HydrophobicContact CG1-CE2 4.02Å; V168-F298 HydrophobicContact CG1-CZ 4.37Å; V168-L301 HydrophobicContact CG2-CB 4.14Å; V168-V302 HydrophobicContact CG1-CB 4.45Å; V168-V302 HydrophobicContact CG1-CG2 3.45Å; V168-V302 VanDerWaalsContact CG1-CG2 3.45Å; V168-M305 HydrophobicContact CB-SD 3.84Å; V168-M305 HydrophobicContact CG1-SD 4.24Å; V168-M305 HydrophobicContact CG2-CB 4.4Å; V168-M305 HydrophobicContact CG2-SD 3.83Å
169G85.4Confident85.2Confident0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-64.8-48.2176.500000112.1N166 S171 A172 Q173N166-G169 WeakPolarHBondContact O-CA 3.3Å; N166-G169 PolarHBondContact O-N 2.8Å; G169-S171 PolarHBondContact O-N 3.34Å; G169-A172 PolarHBondContact O-N 2.95Å; G169-Q173 WeakPolarHBondContact O-CG 3.32Å; G169-Q173 PolarHBondContact O-N 3.34Å
170F85.8Confident85.2Confident24 Ų2425.8 Ų25.811%0.10513%0.131CC..Hα-helixtrans-65.7-38.1178-70.6-67000113D165 N166 Q173 L174 V211 V215 I222 L224D165-F170 WeakPolarHBondContact O-CE2 3.47Å; N166-F170 VanDerWaalsContact O-CD2 3.31Å; N166-F170 WeakPolarHBondContact O-CD2 3.5Å; N166-F170 PolarHBondContact O-N 2.73Å; F170-Q173 PolarHBondContact O-N 3.09Å; F170-L174 WeakPolarHBondContact O-CB 3.07Å; F170-L174 PolarHBondContact O-N 3.08Å; F170-V211 HydrophobicContact CB-CG1 4.37Å; F170-V211 HydrophobicContact CD1-CG1 4.19Å; F170-V215 HydrophobicContact CB-CG2 4.03Å; F170-V215 HydrophobicContact CD1-CG2 4.33Å; F170-V215 HydrophobicContact CG-CG2 4.08Å; F170-I222 HydrophobicContact CD2-CG2 3.46Å; F170-I222 VanDerWaalsContact CD2-CG2 3.46Å; F170-I222 HydrophobicContact CE2-CD1 3.85Å; F170-I222 HydrophobicContact CE2-CG1 4.4Å; F170-I222 HydrophobicContact CE2-CG2 3.9Å; F170-I222 HydrophobicContact CG-CG2 4.27Å; F170-L224 HydrophobicContact CB-CD2 4.25Å
171S86.1Confident85.4Confident0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-67.4-38.5174490000112.4T167 V168 G169 L174 L175 F298T167-S171 WeakPolarHBondContact O-CB 3.14Å; T167-S171 PolarHBondContact O-N 2.8Å; T167-S171 PolarHBondContact O-OG 3.06Å; V168-S171 VanDerWaalsContact CA-OG 3.26Å; V168-S171 WeakPolarHBondContact CA-OG 3.39Å; V168-S171 PolarHBondContact O-OG 3.3Å; G169-S171 PolarHBondContact O-N 3.34Å; S171-L174 PolarHBondContact O-N 3.31Å; S171-L175 PolarHBondContact O-N 3.13Å; S171-F298 WeakPolarHBondContact OG-CE2 3.44Å
172A87.9Confident85.6Confident0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-64.5-41.5172.100000112.4L132 L157 V168 G169 L174 L175 G176 F298L132-A172 HydrophobicContact CD2-CB 3.75Å; L157-A172 HydrophobicContact CD2-CB 4.25Å; V168-A172 VanDerWaalsContact O-CB 3.28Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.47Å; G169-A172 PolarHBondContact O-N 2.95Å; A172-L174 VanDerWaalsContact C-N 3.32Å; A172-L174 PolarHBondContact O-N 2.79Å; A172-L175 PolarHBondContact O-N 2.81Å; A172-G176 PolarHBondContact O-N 3.09Å; A172-F298 HydrophobicContact CB-CE2 4.32Å; A172-F298 HydrophobicContact CB-CZ 4.13Å
173Q89.3Confident85.8Confident7 Ų722.3 Ų22.33%0.03311%0.112CC..Hα-helixtrans-61.1-41.4173.8-71.8177.225.300111.6G161 G169 F170 N177 V211G161-Q173 VanDerWaalsContact C-NE2 3.32Å; G161-Q173 PolarHBondContact O-NE2 2.89Å; G169-Q173 WeakPolarHBondContact O-CG 3.32Å; G169-Q173 PolarHBondContact O-N 3.34Å; F170-Q173 PolarHBondContact O-N 3.09Å; Q173-N177 WeakPolarHBondContact O-CB 3.37Å; Q173-N177 PolarHBondContact O-N 3.25Å; Q173-N177 PolarHBondContact O-ND2 2.63Å; Q173-V211 HydrophobicContact CB-CG2 4.13Å
174L88.6Confident86.1Confident0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-63.5-50.7179-176.467.8000111.1F170 S171 A172 G176 N177 A178 A208 V211 M212 L224 L229 V232F170-L174 WeakPolarHBondContact O-CB 3.07Å; F170-L174 PolarHBondContact O-N 3.08Å; S171-L174 PolarHBondContact O-N 3.31Å; A172-L174 VanDerWaalsContact C-N 3.32Å; A172-L174 PolarHBondContact O-N 2.79Å; L174-G176 PolarHBondContact O-N 2.78Å; L174-N177 PolarHBondContact O-N 2.75Å; L174-A178 WeakPolarHBondContact O-CB 3.4Å; L174-A178 PolarHBondContact O-N 2.88Å; L174-A208 HydrophobicContact CD1-CB 3.97Å; L174-A208 WeakPolarHBondContact CD1-O 3.24Å; L174-V211 HydrophobicContact CB-CG1 4.45Å; L174-M212 HydrophobicContact CD1-CG 3.82Å; L174-M212 HydrophobicContact CD1-SD 4.25Å; L174-M212 HydrophobicContact CD2-CG 4.49Å; L174-L224 HydrophobicContact CD2-CD1 4.3Å; L174-L224 HydrophobicContact CD2-CD2 4.27Å; L174-L229 HydrophobicContact CD2-CD2 4.03Å; L174-V232 HydrophobicContact CD1-CG2 4.32Å; L174-V232 HydrophobicContact CD2-CG2 4.25Å; L174-V232 HydrophobicContact CG-CG2 3.93Å
175L87.4Confident86.3Confident9 Ų916.7 Ų16.75%0.0479%0.088CC..Hα-helixtrans-60.2-45.4175.8-77.5172.7000112.2L139 L157 S171 A172 N177 A178 L179 T228 C231 F298L139-L175 HydrophobicContact CD1-CD1 3.95Å; L157-L175 HydrophobicContact CD1-CB 4.04Å; S171-L175 PolarHBondContact O-N 3.13Å; A172-L175 PolarHBondContact O-N 2.81Å; L175-N177 PolarHBondContact O-N 3.42Å; L175-A178 PolarHBondContact O-N 3.38Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.18Å; L175-T228 HydrophobicContact CD1-CG2 3.32Å; L175-T228 HydrophobicContact CD2-CG2 3.95Å; L175-T228 HydrophobicContact CG-CG2 3.39Å; L175-C231 HydrophobicContact CD2-CB 3.63Å; L175-F298 HydrophobicContact CD1-CD1 4.39Å; L175-F298 HydrophobicContact CD1-CG 4.42Å
176G89.2Confident86.6Confident0 Ų014.2 Ų14.20%07%0.074CC..Hα-helixtrans-58.6-49-179.900000111.8G154 A172 L174 A178 L179 L180G154-G176 VanDerWaalsContact O-CA 3.27Å; G154-G176 WeakPolarHBondContact O-CA 3.37Å; A172-G176 PolarHBondContact O-N 3.09Å; L174-G176 PolarHBondContact O-N 2.78Å; G176-A178 PolarHBondContact O-N 2.94Å; G176-L179 PolarHBondContact O-N 2.82Å; G176-L180 WeakPolarHBondContact O-CB 3.44Å; G176-L180 WeakPolarHBondContact O-CG 3.43Å; G176-L180 PolarHBondContact O-N 3.37Å
177N90.4Very high86.5Confident4 Ų416.1 Ų16.12%0.0218%0.079CC..Hα-helixtrans-66.2-35.1177.3-73.1-48.5000112.9Q173 L174 L175 G181 A208Q173-N177 WeakPolarHBondContact O-CB 3.37Å; Q173-N177 PolarHBondContact O-N 3.25Å; Q173-N177 PolarHBondContact O-ND2 2.63Å; L174-N177 PolarHBondContact O-N 2.75Å; L175-N177 PolarHBondContact O-N 3.42Å; N177-G181 PolarHBondContact O-N 2.72Å; N177-A208 HydrophobicContact CB-CB 3.79Å
178A88.8Confident86.6Confident3 Ų315 Ų153%0.0257%0.073CC..Hα-helixtrans-67.3-45.3177.400000112.2L174 L175 G176 G181 K182 V232L174-A178 WeakPolarHBondContact O-CB 3.4Å; L174-A178 PolarHBondContact O-N 2.88Å; L175-A178 PolarHBondContact O-N 3.38Å; G176-A178 PolarHBondContact O-N 2.94Å; A178-G181 PolarHBondContact O-N 3.36Å; A178-K182 PolarHBondContact O-N 3.28Å; A178-V232 HydrophobicContact CB-CB 4.49Å; A178-V232 HydrophobicContact CB-CG2 3.65Å
179L87.6Confident86.5Confident18 Ų1815.2 Ų15.29%0.0947%0.073CC..Hα-helixtrans-64-44.2175.8-68.5176000111.5L153 L157 L175 G176 G181 K182 V183L153-L179 HydrophobicContact CB-CD1 4.28Å; L153-L179 HydrophobicContact CD2-CD1 3.93Å; L153-L179 HydrophobicContact CG-CD1 3.85Å; L157-L179 HydrophobicContact CD1-CD1 4.23Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.18Å; G176-L179 PolarHBondContact O-N 2.82Å; L179-G181 VanDerWaalsContact C-N 3.32Å; L179-G181 PolarHBondContact O-N 3.48Å; L179-K182 WeakPolarHBondContact O-CB 3.38Å; L179-K182 PolarHBondContact O-N 3.44Å; L179-V183 WeakPolarHBondContact O-CG2 3.26Å; L179-V183 PolarHBondContact O-N 3.42Å; L179-V183 VanDerWaalsContact O-N 3.14Å
180L88.5Confident86.5Confident0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-64.3-38176.2-66.5172.1000111.9R151 A155 L158 G176 V183 E184 V192 L198 Y204R151-L180 HydrophobicContact CG-CD2 4.43Å; A155-L180 HydrophobicContact CB-CD2 4.39Å; L158-L180 HydrophobicContact CB-CD1 4.42Å; L158-L180 HydrophobicContact CD2-CD1 3.78Å; G176-L180 WeakPolarHBondContact O-CB 3.44Å; G176-L180 WeakPolarHBondContact O-CG 3.43Å; G176-L180 PolarHBondContact O-N 3.37Å; L180-V183 PolarHBondContact O-N 3.29Å; L180-E184 WeakPolarHBondContact O-CB 3.49Å; L180-E184 PolarHBondContact O-N 3.05Å; L180-V192 HydrophobicContact CD2-CG1 4.01Å; L180-L198 HydrophobicContact CD1-CD1 4.04Å; L180-L198 HydrophobicContact CD1-CD2 4.41Å; L180-L198 HydrophobicContact CD2-CD1 3.83Å; L180-Y204 HydrophobicContact CB-CD1 3.78Å; L180-Y204 HydrophobicContact CB-CD2 4.43Å; L180-Y204 HydrophobicContact CB-CE1 4.28Å; L180-Y204 HydrophobicContact CB-CG 3.87Å; L180-Y204 HydrophobicContact CD1-CD1 3.76Å; L180-Y204 HydrophobicContact CD1-CE1 3.63Å; L180-Y204 HydrophobicContact CG-CD1 4.44Å
181G87.4Confident86.5Confident0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-63-38.517400000112.8N177 A178 L179 V183 E184 M185N177-G181 PolarHBondContact O-N 2.72Å; A178-G181 PolarHBondContact O-N 3.36Å; L179-G181 VanDerWaalsContact C-N 3.32Å; L179-G181 PolarHBondContact O-N 3.48Å; G181-V183 VanDerWaalsContact C-N 3.33Å; G181-V183 PolarHBondContact O-N 2.84Å; G181-E184 PolarHBondContact O-N 3.04Å; G181-M185 VanDerWaalsContact O-CG 3.25Å; G181-M185 WeakPolarHBondContact O-CG 3.23Å; G181-M185 PolarHBondContact O-N 2.73Å
182K87.1Confident86.4Confident30 Ų3018.3 Ų18.313%0.139%0.092CC..Hα-helixtrans-59-45.7171.6-171.5178.9174.3-178.20111.4E150 A178 L179 M185 L186 V235 D238 L239E150-K182 WeakPolarHBondContact OE1-CE 3.31Å; E150-K182 IonicContact OE1-NZ 3.78Å; E150-K182 PolarHBondContact OE1-NZ 2.97Å; E150-K182 IonicContact OE2-NZ 3.66Å; A178-K182 PolarHBondContact O-N 3.28Å; L179-K182 WeakPolarHBondContact O-CB 3.38Å; L179-K182 PolarHBondContact O-N 3.44Å; K182-M185 PolarHBondContact O-N 3.02Å; K182-L186 HydrophobicContact CG-CD1 4.06Å; K182-L186 VanDerWaalsContact O-CG 3.3Å; K182-L186 WeakPolarHBondContact O-CG 3.38Å; K182-L186 PolarHBondContact O-N 3.2Å; K182-L186 VanDerWaalsContact O-N 3.09Å; K182-V235 HydrophobicContact CB-CG1 3.81Å; K182-V235 HydrophobicContact CD-CG1 4.31Å; K182-V235 HydrophobicContact CD-CG2 4.33Å; K182-V235 HydrophobicContact CG-CG1 4.24Å; K182-D238 IonicContact NZ-OD2 3.9Å; K182-L239 HydrophobicContact CG-CD2 4.24Å
183V86.8Confident86.3Confident2 Ų221.2 Ų21.21%0.01211%0.105CC..Hα-helixtrans-66.5-41.7178.9-179.70000111.8V147 E150 R151 L179 L180 G181 M185 L186 K187 V192V147-V183 HydrophobicContact CG1-CB 4.42Å; V147-V183 HydrophobicContact CG1-CG1 3.98Å; V147-V183 HydrophobicContact CG1-CG2 3.99Å; E150-V183 HydrophobicContact CB-CG2 4.12Å; R151-V183 HydrophobicContact CB-CG1 4.34Å; R151-V183 HydrophobicContact CB-CG2 4.13Å; L179-V183 WeakPolarHBondContact O-CG2 3.26Å; L179-V183 PolarHBondContact O-N 3.42Å; L179-V183 VanDerWaalsContact O-N 3.14Å; L180-V183 PolarHBondContact O-N 3.29Å; G181-V183 VanDerWaalsContact C-N 3.33Å; G181-V183 PolarHBondContact O-N 2.84Å; V183-M185 VanDerWaalsContact C-N 3.34Å; V183-M185 PolarHBondContact O-N 3.36Å; V183-L186 PolarHBondContact O-N 3.27Å; V183-K187 PolarHBondContact O-N 3.36Å; V183-V192 HydrophobicContact CB-CG2 4.31Å; V183-V192 HydrophobicContact CG1-CG2 4.04Å
184E86.5Confident86.2Confident2 Ų225.4 Ų25.41%0.00912%0.123CC..Hα-helixtrans-57.2-46.5175.4-172.3173.4-142.700110.9L180 G181 L186 G188 I189 V192 R202 G203 Y204L180-E184 WeakPolarHBondContact O-CB 3.49Å; L180-E184 PolarHBondContact O-N 3.05Å; G181-E184 PolarHBondContact O-N 3.04Å; E184-L186 PolarHBondContact O-N 2.63Å; E184-G188 WeakPolarHBondContact O-CA 3.47Å; E184-G188 PolarHBondContact O-N 3.05Å; E184-I189 HydrophobicContact CG-CB 4.41Å; E184-I189 WeakPolarHBondContact OE1-CD1 3.26Å; E184-V192 HydrophobicContact CB-CG2 4.01Å; E184-R202 WeakPolarHBondContact OE1-CA 3.33Å; E184-G203 PolarHBondContact OE1-N 3.04Å; E184-G203 PolarHBondContact OE2-N 3.31Å; E184-Y204 WeakPolarHBondContact OE2-CD2 3.41Å; E184-Y204 PolarHBondContact OE2-N 3.44Å
185M81.8Confident86Confident13 Ų1328.6 Ų28.66%0.06416%0.156CC..Hα-helixtrans-70.7-31.5-179.6-66-62.299.300113.4G181 K182 V183 L205 L239 E269 K270G181-M185 VanDerWaalsContact O-CG 3.25Å; G181-M185 WeakPolarHBondContact O-CG 3.23Å; G181-M185 PolarHBondContact O-N 2.73Å; K182-M185 PolarHBondContact O-N 3.02Å; V183-M185 VanDerWaalsContact C-N 3.34Å; V183-M185 PolarHBondContact O-N 3.36Å; M185-L205 HydrophobicContact CG-CD1 4.31Å; M185-L239 HydrophobicContact CB-CD1 4.41Å; M185-L239 HydrophobicContact CB-CD2 3.72Å; M185-L239 HydrophobicContact CG-CD1 4.24Å; M185-L239 HydrophobicContact CG-CD2 4.43Å; M185-E269 HydrophobicContact CE-CB 3.75Å; M185-K270 WeakPolarHBondContact O-CE 3.24Å; M185-K270 PolarHBondContact O-NZ 3.2Å; M185-K270 HydrophobicContact SD-CB 4.41Å; M185-K270 HydrophobicContact SD-CG 3.74Å
186L83.1Confident85.9Confident78 Ų7829.5 Ų29.541%0.40816%0.16SC..Hα-helixtrans-82.8-43.9-179.6-69174.4000113.2V147 K182 V183 E184 L239V147-L186 HydrophobicContact CG2-CD1 4.4Å; K182-L186 HydrophobicContact CG-CD1 4.06Å; K182-L186 VanDerWaalsContact O-CG 3.3Å; K182-L186 WeakPolarHBondContact O-CG 3.38Å; K182-L186 PolarHBondContact O-N 3.2Å; K182-L186 VanDerWaalsContact O-N 3.09Å; V183-L186 PolarHBondContact O-N 3.27Å; E184-L186 PolarHBondContact O-N 2.63Å; L186-L239 HydrophobicContact CD2-CD2 4.47Å; L186-L239 HydrophobicContact CG-CD2 4.38Å
187K81.9Confident85.8Confident116 Ų11631.3 Ų31.350%0.50417%0.172SC..Hα-helixtrans-121.12.1-169-64.7-170.3176.6179.40114.6V147 V183 A191V147-K187 HydrophobicContact CB-CD 4.39Å; V147-K187 HydrophobicContact CG1-CD 3.62Å; V147-K187 VanDerWaalsContact CG1-CE 3.48Å; V147-K187 HydrophobicContact CG1-CG 4.19Å; V183-K187 PolarHBondContact O-N 3.36Å; K187-A191 HydrophobicContact CB-CB 3.62Å
188G83.9Confident85.7Confident3 Ų332.4 Ų32.43%0.03118%0.177CC..  trans80.2167.8-176.400000113.4E184 H190 A191 D266E184-G188 WeakPolarHBondContact O-CA 3.47Å; E184-G188 PolarHBondContact O-N 3.05Å; G188-H190 VanDerWaalsContact C-N 3.31Å; G188-H190 PolarHBondContact O-N 3.09Å; G188-A191 PolarHBondContact O-N 3.42Å; G188-D266 VanDerWaalsContact CA-OD2 3.29Å; G188-D266 WeakPolarHBondContact CA-OD2 3.38Å
189I83.6Confident85.5Confident11 Ų1134.3 Ų34.36%0.05619%0.191CC..Hα-helixtrans-69.6-29-172.6-162.6167000113.3E184 A191 V192 F193 W200 R202 D266E184-I189 HydrophobicContact CG-CB 4.41Å; E184-I189 WeakPolarHBondContact OE1-CD1 3.26Å; I189-A191 PolarHBondContact O-N 3.25Å; I189-V192 WeakPolarHBondContact O-CB 3.29Å; I189-V192 PolarHBondContact O-N 3.46Å; I189-F193 HydrophobicContact CG1-CD1 4.33Å; I189-F193 HydrophobicContact CG2-CE1 4.37Å; I189-F193 WeakPolarHBondContact O-CD1 3.45Å; I189-F193 PolarHBondContact O-N 3.31Å; I189-W200 VanDerWaalsContact CD1-O 3.31Å; I189-W200 WeakPolarHBondContact CD1-O 3.39Å; I189-R202 VanDerWaalsContact CD1-CA 3.42Å; I189-R202 HydrophobicContact CD1-CB 3.77Å; I189-R202 HydrophobicContact CD1-CG 3.5Å; I189-R202 VanDerWaalsContact CD1-CG 3.5Å; I189-D266 PolarHBondContact N-OD2 3.24Å
190H85.2Confident85.5Confident65 Ų6543.1 Ų43.130%0.30122%0.223SC..Hα-helixtrans-58-40.3178-17191.5000111.7G188 V192 F193 K194 E260G188-H190 VanDerWaalsContact C-N 3.31Å; G188-H190 PolarHBondContact O-N 3.09Å; H190-V192 PolarHBondContact O-N 2.87Å; H190-F193 HydrophobicContact CB-CE1 4.37Å; H190-F193 HydrophobicContact CB-CZ 4.42Å; H190-F193 AromaticContact ND1-CZ 3.57Å; H190-K194 WeakPolarHBondContact NE2-CD 3.32Å; H190-K194 WeakPolarHBondContact NE2-CE 3.11Å; H190-K194 PolarHBondContact NE2-NZ 2.82Å; H190-K194 WeakPolarHBondContact O-CB 3.38Å; H190-K194 PolarHBondContact O-N 3.29Å; H190-K194 VanDerWaalsContact O-N 3.09Å; H190-E260 IonicContact CD2-OE1 3.38Å; H190-E260 IonicContact CD2-OE2 3.02Å; H190-E260 PolarHBondContact CD2-OE2 3.01Å; H190-E260 IonicContact CE1-OE1 2.91Å; H190-E260 IonicContact CG-OE2 3.26Å; H190-E260 IonicContact NE2-OE1 2.74Å; H190-E260 PolarHBondContact NE2-OE1 3.25Å; H190-E260 IonicContact NE2-OE2 2.63Å; H190-E260 PolarHBondContact NE2-OE2 3.34Å; H190-E260 VanDerWaalsContact NE2-OE2 3.13Å
191A84.9Confident85.4Confident24 Ų2446.9 Ų46.920%0.19825%0.246CC..Hα-helixtrans-62.5-28.7177.700000112.4R151 K187 G188 I189R151-A191 WeakPolarHBondContact CD-O 3.35Å; R151-A191 PolarHBondContact NH1-O 3Å; K187-A191 HydrophobicContact CB-CB 3.62Å; G188-A191 PolarHBondContact O-N 3.42Å; I189-A191 PolarHBondContact O-N 3.25Å
192V85Confident85.1Confident0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-72.6-53.2-178.2-179.60000111.4L180 V183 E184 I189 H190 L198 Y204L180-V192 HydrophobicContact CD2-CG1 4.01Å; V183-V192 HydrophobicContact CB-CG2 4.31Å; V183-V192 HydrophobicContact CG1-CG2 4.04Å; E184-V192 HydrophobicContact CB-CG2 4.01Å; I189-V192 WeakPolarHBondContact O-CB 3.29Å; I189-V192 PolarHBondContact O-N 3.46Å; H190-V192 PolarHBondContact O-N 2.87Å; V192-L198 HydrophobicContact CG1-CD1 3.79Å; V192-Y204 HydrophobicContact CG1-CD2 4.49Å; V192-Y204 HydrophobicContact CG1-CE2 3.82Å
193F86Confident85Confident60 Ų6049 Ų4926%0.26326%0.256SS..Hα-helixtrans-87.5-17.4-174.470.3-101.5000114.4I189 H190 G195 M196 L198 W200I189-F193 HydrophobicContact CG1-CD1 4.33Å; I189-F193 HydrophobicContact CG2-CE1 4.37Å; I189-F193 WeakPolarHBondContact O-CD1 3.45Å; I189-F193 PolarHBondContact O-N 3.31Å; H190-F193 HydrophobicContact CB-CE1 4.37Å; H190-F193 HydrophobicContact CB-CZ 4.42Å; H190-F193 AromaticContact ND1-CZ 3.57Å; F193-G195 PolarHBondContact O-N 3.49Å; F193-M196 PolarHBondContact O-N 2.85Å; F193-L198 HydrophobicContact CB-CB 4.43Å; F193-W200 HydrophobicContact CD1-CB 4.12Å; F193-W200 HydrophobicContact CE1-CB 4.18Å
194K87.6Confident85Confident96 Ų9649 Ų4942%0.41726%0.256SS..THydrogen-bonded Turntrans-60.8109.3-178.1-172.7-174.5-149.4141.20112R151 H190 M196 E260R151-K194 PolarHBondContact NH1-O 2.94Å; H190-K194 WeakPolarHBondContact NE2-CD 3.32Å; H190-K194 WeakPolarHBondContact NE2-CE 3.11Å; H190-K194 PolarHBondContact NE2-NZ 2.82Å; H190-K194 WeakPolarHBondContact O-CB 3.38Å; H190-K194 PolarHBondContact O-N 3.29Å; H190-K194 VanDerWaalsContact O-N 3.09Å; K194-M196 VanDerWaalsContact C-N 3.31Å; K194-E260 IonicContact NZ-OE1 3.19Å; K194-E260 PolarHBondContact NZ-OE1 3.23Å; K194-E260 IonicContact NZ-OE2 3.31Å; K194-E260 PolarHBondContact NZ-OE2 3.27Å
195G83.3Confident84.9Confident67 Ų6749.3 Ų49.369%0.69126%0.257SS*.THydrogen-bonded Turntrans77.712.617900000114.6L118 F193L118-G195 VanDerWaalsContact CD2-O 3.32Å; L118-G195 WeakPolarHBondContact CD2-O 3.46Å; F193-G195 PolarHBondContact O-N 3.49Å
196M86.3Confident85.1Confident28 Ų2850 Ų5014%0.13827%0.268CS..SBendtrans-121.4149.2177.7-62.9-60.9-157.600110.5M117 L118 R151 A152 F193 K194 L198M117-M196 HydrophobicContact CE-SD 3.69Å; M117-M196 HydrophobicContact SD-SD 4.41Å; L118-M196 HydrophobicContact CD2-SD 3.89Å; R151-M196 HydrophobicContact CG-CE 4.31Å; A152-M196 HydrophobicContact CB-CE 3.92Å; F193-M196 PolarHBondContact O-N 2.85Å; K194-M196 VanDerWaalsContact C-N 3.31Å; M196-L198 HydrophobicContact CB-CD1 4.19Å; M196-L198 HydrophobicContact CB-CG 4.1Å; M196-L198 PolarHBondContact O-N 3.35Å
197P86.9Confident85.5Confident38 Ų3850 Ų5025%0.24726%0.262CS..SBendtrans-76.560173.230.4-31.9000111.4M117 E120 I159M117-P197 HydrophobicContact CE-CG 4.08Å; M117-P197 HydrophobicContact CG-CG 4.46Å; M117-P197 HydrophobicContact SD-CG 4.46Å; E120-P197 HydrophobicContact CG-CB 3.9Å; E120-P197 HydrophobicContact CG-CG 4.15Å; E120-P197 WeakPolarHBondContact OE1-CB 3.5Å; I159-P197 HydrophobicContact CD1-CB 4.44Å; I159-P197 HydrophobicContact CD1-CG 3.75Å
198L87.6Confident85.7Confident26 Ų2644.7 Ų44.714%0.13624%0.24CC..  trans-121.2152-179.2-67.4179.4000111.1A155 L158 L180 V192 F193 M196A155-L198 HydrophobicContact CB-CD1 3.91Å; A155-L198 HydrophobicContact CB-CD2 4.32Å; A155-L198 HydrophobicContact CB-CG 4.32Å; L158-L198 HydrophobicContact CD2-CD2 4.07Å; L180-L198 HydrophobicContact CD1-CD1 4.04Å; L180-L198 HydrophobicContact CD1-CD2 4.41Å; L180-L198 HydrophobicContact CD2-CD1 3.83Å; V192-L198 HydrophobicContact CG1-CD1 3.79Å; F193-L198 HydrophobicContact CB-CB 4.43Å; M196-L198 HydrophobicContact CB-CD1 4.19Å; M196-L198 HydrophobicContact CB-CG 4.1Å; M196-L198 PolarHBondContact O-N 3.35Å
199S85.4Confident85.9Confident44 Ų4444.9 Ų44.931%0.30824%0.24SC..  trans-70.9145.2174.864.60000111.3V201 Y204 R207S199-V201 PolarHBondContact O-N 2.97Å; S199-Y204 PolarHBondContact O-OH 3.28Å; S199-R207 PolarHBondContact OG-NH1 2.95Å; S199-R207 PolarHBondContact OG-NH2 3.47Å
200W86.8Confident86.1Confident202 Ų20246.1 Ų46.177%0.76525%0.252SS*.  trans-74.66.9168.360.669.4000113.7I189 F193I189-W200 VanDerWaalsContact CD1-O 3.31Å; I189-W200 WeakPolarHBondContact CD1-O 3.39Å; F193-W200 HydrophobicContact CD1-CB 4.12Å; F193-W200 HydrophobicContact CE1-CB 4.18Å
201V85.7Confident86.2Confident79 Ų7943 Ų4348%0.47924%0.238SC..  trans-83123.9-176.6172.40000108.9S199 R207S199-V201 PolarHBondContact O-N 2.97Å; V201-R207 VanDerWaalsContact CG1-NH2 3.31Å; V201-R207 PolarHBondContact O-NH2 2.99Å
202R81.6Confident86.2Confident67 Ų6741.9 Ų41.925%0.25323%0.228SC..  trans-68.3168-174.1-43.8-144.4168.481.30.9115.3E184 I189 D263 E265 D266 E269E184-R202 WeakPolarHBondContact OE1-CA 3.33Å; I189-R202 VanDerWaalsContact CD1-CA 3.42Å; I189-R202 HydrophobicContact CD1-CB 3.77Å; I189-R202 HydrophobicContact CD1-CG 3.5Å; I189-R202 VanDerWaalsContact CD1-CG 3.5Å; R202-D263 IonicContact NH2-OD2 2.83Å; R202-E265 VanDerWaalsContact CZ-CB 3.41Å; R202-E265 IonicContact CZ-OE2 2.75Å; R202-E265 VanDerWaalsContact NH1-CD 3.34Å; R202-E265 IonicContact NH1-OE2 3.88Å; R202-E265 PolarHBondContact NH1-OE2 2.91Å; R202-E265 IonicContact NH2-OE2 3.68Å; R202-E265 PolarHBondContact NH2-OE2 3.49Å; R202-D266 IonicContact CZ-OD1 2.73Å; R202-D266 IonicContact NE-OD1 2.67Å; R202-D266 PolarHBondContact NE-OD1 2.9Å; R202-D266 IonicContact NH2-OD1 2.63Å; R202-E269 WeakPolarHBondContact CB-OE1 3.17Å
203G84.9Confident86.4Confident9 Ų945.2 Ų45.29%0.09324%0.244CC..  trans83.455.3168.600000113.6E184 L205 G206 R207 E269E184-G203 PolarHBondContact OE1-N 3.04Å; E184-G203 PolarHBondContact OE2-N 3.31Å; G203-L205 VanDerWaalsContact C-N 3.28Å; G203-L205 PolarHBondContact O-N 3.16Å; G203-G206 PolarHBondContact O-N 3.22Å; G203-G206 VanDerWaalsContact O-N 3.13Å; G203-R207 PolarHBondContact O-N 2.89Å; G203-R207 VanDerWaalsContact O-N 3.13Å; G203-E269 PolarHBondContact N-OE1 3.48Å; G203-E269 PolarHBondContact N-OE2 3.48Å
204Y86.8Confident86.4Confident1 Ų148 Ų480%0.00425%0.253CS..Hα-helixtrans-62.9-34.3175.7-77.4-89.6000112.3L158 L180 E184 V192 S199 G206 R207 A208L158-Y204 HydrophobicContact CD2-CE1 4.11Å; L180-Y204 HydrophobicContact CB-CD1 3.78Å; L180-Y204 HydrophobicContact CB-CD2 4.43Å; L180-Y204 HydrophobicContact CB-CE1 4.28Å; L180-Y204 HydrophobicContact CB-CG 3.87Å; L180-Y204 HydrophobicContact CD1-CD1 3.76Å; L180-Y204 HydrophobicContact CD1-CE1 3.63Å; L180-Y204 HydrophobicContact CG-CD1 4.44Å; E184-Y204 WeakPolarHBondContact OE2-CD2 3.41Å; E184-Y204 PolarHBondContact OE2-N 3.44Å; V192-Y204 HydrophobicContact CG1-CD2 4.49Å; V192-Y204 HydrophobicContact CG1-CE2 3.82Å; S199-Y204 PolarHBondContact O-OH 3.28Å; Y204-G206 VanDerWaalsContact C-N 3.34Å; Y204-G206 PolarHBondContact O-N 3.07Å; Y204-R207 WeakPolarHBondContact O-CB 3.48Å; Y204-R207 PolarHBondContact O-N 3.24Å; Y204-A208 PolarHBondContact O-N 3.05Å
205L85.4Confident86.2Confident9 Ų943.5 Ų43.55%0.04723%0.233CC..Hα-helixtrans-63-39172.3-66177.7000112.2M185 G203 R207 A208 L209 L236 L239 Y276M185-L205 HydrophobicContact CG-CD1 4.31Å; G203-L205 VanDerWaalsContact C-N 3.28Å; G203-L205 PolarHBondContact O-N 3.16Å; L205-R207 VanDerWaalsContact C-N 3.3Å; L205-R207 PolarHBondContact O-N 2.87Å; L205-A208 WeakPolarHBondContact O-CB 3.13Å; L205-A208 PolarHBondContact O-N 3.45Å; L205-L209 WeakPolarHBondContact O-CG 3.28Å; L205-L209 PolarHBondContact O-N 3.26Å; L205-L209 VanDerWaalsContact O-N 3.08Å; L205-L236 HydrophobicContact CD1-CD2 4.49Å; L205-L239 HydrophobicContact CD1-CD1 4.42Å; L205-Y276 HydrophobicContact CB-CD2 4.22Å; L205-Y276 HydrophobicContact CB-CE2 4.4Å; L205-Y276 HydrophobicContact CB-CG 4.39Å; L205-Y276 HydrophobicContact CD1-CD2 4.18Å
206G86.2Confident86.1Confident27 Ų2741.5 Ų41.528%0.27821%0.208SC..Hα-helixtrans-61.8-39.3173.700000112.3G203 Y204 L209 A210G203-G206 PolarHBondContact O-N 3.22Å; G203-G206 VanDerWaalsContact O-N 3.13Å; Y204-G206 VanDerWaalsContact C-N 3.34Å; Y204-G206 PolarHBondContact O-N 3.07Å; G206-L209 PolarHBondContact O-N 2.9Å; G206-A210 PolarHBondContact O-N 3.43Å
207R89.4Confident85.9Confident78 Ų7844.2 Ų44.229%0.29424%0.235SC..Hα-helixtrans-66.6-37.1174.3-62.8179.2-166.7-157.415.7112.3S199 V201 G203 Y204 L205 L209 A210 V211S199-R207 PolarHBondContact OG-NH1 2.95Å; S199-R207 PolarHBondContact OG-NH2 3.47Å; V201-R207 VanDerWaalsContact CG1-NH2 3.31Å; V201-R207 PolarHBondContact O-NH2 2.99Å; G203-R207 PolarHBondContact O-N 2.89Å; G203-R207 VanDerWaalsContact O-N 3.13Å; Y204-R207 WeakPolarHBondContact O-CB 3.48Å; Y204-R207 PolarHBondContact O-N 3.24Å; L205-R207 VanDerWaalsContact C-N 3.3Å; L205-R207 PolarHBondContact O-N 2.87Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.49Å; R207-A210 WeakPolarHBondContact O-CB 3.41Å; R207-A210 PolarHBondContact O-N 3.23Å; R207-V211 WeakPolarHBondContact O-CG2 3.47Å; R207-V211 PolarHBondContact O-N 3.06Å
208A87.6Confident85.5Confident4 Ų443.8 Ų43.83%0.03324%0.235CC..Hα-helixtrans-58.4-46.3173.800000110.9L174 N177 Y204 L205 A210 V211 M212L174-A208 HydrophobicContact CD1-CB 3.97Å; L174-A208 WeakPolarHBondContact CD1-O 3.24Å; N177-A208 HydrophobicContact CB-CB 3.79Å; Y204-A208 PolarHBondContact O-N 3.05Å; L205-A208 WeakPolarHBondContact O-CB 3.13Å; L205-A208 PolarHBondContact O-N 3.45Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.33Å; A208-V211 WeakPolarHBondContact O-CB 3.22Å; A208-V211 PolarHBondContact O-N 3.44Å; A208-V211 VanDerWaalsContact O-N 3.14Å; A208-M212 PolarHBondContact O-N 3.22Å
209L87.6Confident84.1Confident8 Ų848.9 Ų48.94%0.04227%0.273CS..Hα-helixtrans-65-38.3175.7-60.4175000112.1L205 G206 R207 V211 M212 E213 Y276 R279 F280 L283L205-L209 WeakPolarHBondContact O-CG 3.28Å; L205-L209 PolarHBondContact O-N 3.26Å; L205-L209 VanDerWaalsContact O-N 3.08Å; G206-L209 PolarHBondContact O-N 2.9Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.49Å; L209-V211 VanDerWaalsContact C-N 3.26Å; L209-V211 PolarHBondContact O-N 3.07Å; L209-M212 HydrophobicContact CD2-SD 4.12Å; L209-M212 WeakPolarHBondContact O-CB 3.34Å; L209-M212 PolarHBondContact O-N 2.84Å; L209-M212 VanDerWaalsContact O-N 3.08Å; L209-E213 PolarHBondContact O-N 3.39Å; L209-Y276 HydrophobicContact CD1-CD1 3.58Å; L209-Y276 HydrophobicContact CD1-CE1 4.4Å; L209-Y276 HydrophobicContact CD1-CG 4.38Å; L209-R279 HydrophobicContact CD1-CB 4.13Å; L209-R279 HydrophobicContact CD1-CG 4.09Å; L209-F280 HydrophobicContact CD2-CB 3.96Å; L209-F280 HydrophobicContact CD2-CD2 4.21Å; L209-L283 HydrophobicContact CB-CD1 4.2Å; L209-L283 HydrophobicContact CD2-CD1 4.13Å
210A88.9Confident82.8Confident37 Ų3748.8 Ų48.831%0.30628%0.279SS..Hα-helixtrans-64.6-28174.300000112.9G206 R207 A208 R214G206-A210 PolarHBondContact O-N 3.43Å; R207-A210 WeakPolarHBondContact O-CB 3.41Å; R207-A210 PolarHBondContact O-N 3.23Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.33Å; A210-R214 WeakPolarHBondContact O-CB 3.36Å; A210-R214 VanDerWaalsContact O-CG 3.31Å; A210-R214 WeakPolarHBondContact O-CG 3.49Å; A210-R214 PolarHBondContact O-N 2.93Å; A210-R214 PolarHBondContact O-NE 3.26Å
211V87.3Confident81.9Confident0 Ų044.9 Ų44.90%027%0.273CS..Hα-helixtrans-66.4-45.4169.5174.50000109.9F170 Q173 L174 R207 A208 L209 E213 R214 V215F170-V211 HydrophobicContact CB-CG1 4.37Å; F170-V211 HydrophobicContact CD1-CG1 4.19Å; Q173-V211 HydrophobicContact CB-CG2 4.13Å; L174-V211 HydrophobicContact CB-CG1 4.45Å; R207-V211 WeakPolarHBondContact O-CG2 3.47Å; R207-V211 PolarHBondContact O-N 3.06Å; A208-V211 WeakPolarHBondContact O-CB 3.22Å; A208-V211 PolarHBondContact O-N 3.44Å; A208-V211 VanDerWaalsContact O-N 3.14Å; L209-V211 VanDerWaalsContact C-N 3.26Å; L209-V211 PolarHBondContact O-N 3.07Å; V211-E213 VanDerWaalsContact C-N 3.32Å; V211-E213 PolarHBondContact O-N 3.33Å; V211-R214 WeakPolarHBondContact O-CB 3.37Å; V211-R214 PolarHBondContact O-N 3.43Å; V211-V215 WeakPolarHBondContact O-CG2 3.23Å; V211-V215 PolarHBondContact O-N 2.85Å
212M84.6Confident81.4Confident0 Ų042.9 Ų42.90%026%0.259CS..Hα-helixtrans-61.5-40.3177.6-64.217673.300112.1L174 A208 L209 V215 S216 L224 L229 F280 L283 L287L174-M212 HydrophobicContact CD1-CG 3.82Å; L174-M212 HydrophobicContact CD1-SD 4.25Å; L174-M212 HydrophobicContact CD2-CG 4.49Å; A208-M212 PolarHBondContact O-N 3.22Å; L209-M212 HydrophobicContact CD2-SD 4.12Å; L209-M212 WeakPolarHBondContact O-CB 3.34Å; L209-M212 PolarHBondContact O-N 2.84Å; L209-M212 VanDerWaalsContact O-N 3.08Å; M212-V215 PolarHBondContact O-N 2.95Å; M212-S216 WeakPolarHBondContact O-CB 3.45Å; M212-S216 PolarHBondContact O-N 3.44Å; M212-L224 HydrophobicContact CG-CD1 4.32Å; M212-L229 HydrophobicContact CE-CD2 3.82Å; M212-F280 HydrophobicContact CE-CD2 3.89Å; M212-F280 HydrophobicContact CE-CE2 3.82Å; M212-F280 HydrophobicContact SD-CD2 3.62Å; M212-F280 HydrophobicContact SD-CE2 3.76Å; M212-L283 HydrophobicContact CB-CB 4.43Å; M212-L283 HydrophobicContact CB-CD1 4.11Å; M212-L283 HydrophobicContact CE-CB 3.74Å; M212-L283 HydrophobicContact SD-CB 4.47Å; M212-L287 HydrophobicContact CB-CD1 4.28Å; M212-L287 HydrophobicContact CE-CD1 3.61Å; M212-L287 HydrophobicContact CG-CD1 4.44Å
213E88.1Confident81.4Confident69 Ų6944 Ų4432%0.32226%0.263SS..Hα-helixtrans-65.1-41.2175.3-74.6174.1-178.600112.3L209 V211 V215 S216 A217 R279 L283L209-E213 PolarHBondContact O-N 3.39Å; V211-E213 VanDerWaalsContact C-N 3.32Å; V211-E213 PolarHBondContact O-N 3.33Å; E213-V215 VanDerWaalsContact C-N 3.32Å; E213-V215 PolarHBondContact O-N 3.07Å; E213-S216 PolarHBondContact O-N 3.47Å; E213-A217 WeakPolarHBondContact O-CB 3.43Å; E213-A217 PolarHBondContact O-N 2.81Å; E213-R279 IonicContact OE1-CZ 2.78Å; E213-R279 IonicContact OE1-NE 2.79Å; E213-R279 PolarHBondContact OE1-NE 3.37Å; E213-R279 IonicContact OE1-NH2 3.65Å; E213-R279 PolarHBondContact OE1-NH2 2.88Å; E213-R279 IonicContact OE2-NH2 2.59Å; E213-R279 PolarHBondContact OE2-NH2 3.29Å; E213-L283 HydrophobicContact CG-CD1 3.91Å; E213-L283 HydrophobicContact CG-CD2 3.73Å
214R86.5Confident81.1Confident120 Ų12043.6 Ų43.645%0.45326%0.259SS..Hα-helixtrans-60.3-42.2173.1-79.7-176.8-79.2152.7-7.9111.6A210 V211 A217 A218A210-R214 WeakPolarHBondContact O-CB 3.36Å; A210-R214 VanDerWaalsContact O-CG 3.31Å; A210-R214 WeakPolarHBondContact O-CG 3.49Å; A210-R214 PolarHBondContact O-N 2.93Å; A210-R214 PolarHBondContact O-NE 3.26Å; V211-R214 WeakPolarHBondContact O-CB 3.37Å; V211-R214 PolarHBondContact O-N 3.43Å; R214-A217 PolarHBondContact O-N 3.19Å; R214-A218 VanDerWaalsContact O-CB 3.26Å; R214-A218 WeakPolarHBondContact O-CB 3.38Å; R214-A218 PolarHBondContact O-N 3.13Å
215V83.6Confident80.8Confident1 Ų143.5 Ų43.51%0.00626%0.259CS..Hα-helixtrans-67.5-38.8176.3175.90000111.6F170 V211 M212 E213 A218 I222 L224 L287 K292F170-V215 HydrophobicContact CB-CG2 4.03Å; F170-V215 HydrophobicContact CD1-CG2 4.33Å; F170-V215 HydrophobicContact CG-CG2 4.08Å; V211-V215 WeakPolarHBondContact O-CG2 3.23Å; V211-V215 PolarHBondContact O-N 2.85Å; M212-V215 PolarHBondContact O-N 2.95Å; E213-V215 VanDerWaalsContact C-N 3.32Å; E213-V215 PolarHBondContact O-N 3.07Å; V215-A218 PolarHBondContact O-N 3.41Å; V215-I222 HydrophobicContact CG1-CG2 4.19Å; V215-I222 HydrophobicContact CG2-CG2 4.14Å; V215-L224 HydrophobicContact CB-CD1 4.25Å; V215-L224 HydrophobicContact CB-CG 4.46Å; V215-L224 HydrophobicContact CG1-CD1 4.21Å; V215-L224 HydrophobicContact CG1-CG 4.11Å; V215-L224 HydrophobicContact CG2-CD1 4.24Å; V215-L224 HydrophobicContact CG2-CD2 4.22Å; V215-L224 HydrophobicContact CG2-CG 4.18Å; V215-L287 HydrophobicContact CB-CD2 4.49Å; V215-L287 HydrophobicContact CG1-CD2 4.04Å; V215-K292 HydrophobicContact CG1-CD 4.4Å; V215-K292 PolarHBondContact O-NZ 3.39Å
216S80.9Confident80.5Confident24 Ų2448.3 Ų48.317%0.16828%0.279CS..Hα-helixtrans-63.3-42.1174.9-175.30000111.7M212 E213 Q290 K292M212-S216 WeakPolarHBondContact O-CB 3.45Å; M212-S216 PolarHBondContact O-N 3.44Å; E213-S216 PolarHBondContact O-N 3.47Å; S216-Q290 PolarHBondContact O-OE1 2.82Å; S216-Q290 PolarHBondContact OG-NE2 3.33Å; S216-K292 PolarHBondContact O-NZ 3.11Å
217A83.2Confident80.2Confident86 Ų8650.2 Ų50.271%0.71128%0.283SS*.Hα-helixtrans-75.6-26.8178.100000113.9E213 R214 S219E213-A217 WeakPolarHBondContact O-CB 3.43Å; E213-A217 PolarHBondContact O-N 2.81Å; R214-A217 PolarHBondContact O-N 3.19Å; A217-S219 PolarHBondContact O-N 2.87Å
218A78.3Confident79.6Confident28 Ų2846.5 Ų46.523%0.23127%0.269CS..  trans-66.5129.2-179.400000111.4R214 V215 G220 I222 K292R214-A218 VanDerWaalsContact O-CB 3.26Å; R214-A218 WeakPolarHBondContact O-CB 3.38Å; R214-A218 PolarHBondContact O-N 3.13Å; V215-A218 PolarHBondContact O-N 3.41Å; A218-G220 VanDerWaalsContact C-N 3.34Å; A218-G220 PolarHBondContact O-N 3.22Å; A218-I222 HydrophobicContact CB-CD1 4.07Å; A218-K292 PolarHBondContact O-NZ 3.41Å
219S56.6Low79.2Confident133 Ų13346.9 Ų46.993%0.9327%0.271SS*.  trans-93.536.3-175.3630000113.7A217A217-S219 PolarHBondContact O-N 2.87Å
220G59.9Low78.9Confident43 Ų4350.1 Ų50.144%0.44329%0.288SS..SBendtrans-131.9-177.1-174.900000114.4A218 I222A218-G220 VanDerWaalsContact C-N 3.34Å; A218-G220 PolarHBondContact O-N 3.22Å; G220-I222 PolarHBondContact O-N 2.88Å
221D66.1Low78.5Confident120 Ų12050.8 Ų50.864%0.64229%0.29SS*.SBendtrans-69.520.9176.1-157.525.1000113.3T167 R223T167-D221 PolarHBondContact OG1-O 3.42Å; D221-R223 PolarHBondContact O-N 3.33Å; D221-R223 IonicContact OD1-CZ 2.77Å; D221-R223 VanDerWaalsContact OD1-CZ 3.31Å; D221-R223 IonicContact OD1-NE 3.12Å; D221-R223 PolarHBondContact OD1-NE 3.02Å; D221-R223 IonicContact OD1-NH2 3.7Å; D221-R223 PolarHBondContact OD1-NH2 2.67Å
222I76.3Confident78.1Confident37 Ų3751 Ų5119%0.1929%0.291CS..  trans-78.9119.1177.9-62.2164.9000107.3F170 V215 A218 G220F170-I222 HydrophobicContact CD2-CG2 3.46Å; F170-I222 VanDerWaalsContact CD2-CG2 3.46Å; F170-I222 HydrophobicContact CE2-CD1 3.85Å; F170-I222 HydrophobicContact CE2-CG1 4.4Å; F170-I222 HydrophobicContact CE2-CG2 3.9Å; F170-I222 HydrophobicContact CG-CG2 4.27Å; V215-I222 HydrophobicContact CG1-CG2 4.19Å; V215-I222 HydrophobicContact CG2-CG2 4.14Å; A218-I222 HydrophobicContact CB-CD1 4.07Å; G220-I222 PolarHBondContact O-N 2.88Å
223R80.6Confident78Confident90 Ų9053.1 Ų53.134%0.3431%0.306SS..  trans-123.3167-179.5-60.5176.1-165.8171.68.8109.8T167 D221 K292 D294T167-R223 HydrophobicContact CG2-CB 4.02Å; T167-R223 WeakPolarHBondContact CG2-O 3.21Å; T167-R223 PolarHBondContact OG1-N 2.96Å; D221-R223 PolarHBondContact O-N 3.33Å; D221-R223 IonicContact OD1-CZ 2.77Å; D221-R223 VanDerWaalsContact OD1-CZ 3.31Å; D221-R223 IonicContact OD1-NE 3.12Å; D221-R223 PolarHBondContact OD1-NE 3.02Å; D221-R223 IonicContact OD1-NH2 3.7Å; D221-R223 PolarHBondContact OD1-NH2 2.67Å; R223-K292 CarbonylContact C-O 3.51Å; R223-K292 WeakPolarHBondContact CA-O 3.13Å; R223-K292 VanDerWaalsContact CB-O 3.24Å; R223-K292 WeakPolarHBondContact CB-O 3.19Å; R223-D294 HydrophobicContact CB-CB 4.37Å; R223-D294 VanDerWaalsContact CB-OD2 3.28Å; R223-D294 WeakPolarHBondContact CB-OD2 3.28Å; R223-D294 WeakPolarHBondContact CD-OD1 3.41Å; R223-D294 WeakPolarHBondContact CD-OD2 3.32Å; R223-D294 IonicContact CZ-OD1 2.63Å; R223-D294 IonicContact NE-OD1 2.82Å; R223-D294 IonicContact NH1-OD1 3.36Å; R223-D294 PolarHBondContact NH1-OD1 3.41Å
224L79Confident77.7Confident0 Ų053.8 Ų53.80%031%0.311CS..EExtended strand (participates in β ladder)trans-113.4142169.8-71.7169.4000108.6F170 L174 M212 V215 L287 K292 V293 D294F170-L224 HydrophobicContact CB-CD2 4.25Å; L174-L224 HydrophobicContact CD2-CD1 4.3Å; L174-L224 HydrophobicContact CD2-CD2 4.27Å; M212-L224 HydrophobicContact CG-CD1 4.32Å; V215-L224 HydrophobicContact CB-CD1 4.25Å; V215-L224 HydrophobicContact CB-CG 4.46Å; V215-L224 HydrophobicContact CG1-CD1 4.21Å; V215-L224 HydrophobicContact CG1-CG 4.11Å; V215-L224 HydrophobicContact CG2-CD1 4.24Å; V215-L224 HydrophobicContact CG2-CD2 4.22Å; V215-L224 HydrophobicContact CG2-CG 4.18Å; L224-L287 HydrophobicContact CD1-CD1 3.78Å; L224-K292 PolarHBondContact N-O 3.43Å; L224-V293 CarbonylContact O-C 3.51Å; L224-V293 WeakPolarHBondContact O-CA 2.96Å; L224-D294 PolarHBondContact O-N 2.68Å
225S80.2Confident77.4Confident0 Ų048.6 Ų48.60%029%0.293CS..EExtended strand (participates in β ladder)trans-73143.8176.780.60000110.2D227 T228 L229S225-D227 VanDerWaalsContact C-N 3.3Å; S225-D227 PolarHBondContact O-N 3.14Å; S225-T228 PolarHBondContact N-OG1 3.07Å; S225-T228 PolarHBondContact O-N 2.88Å; S225-T228 PolarHBondContact O-OG1 2.88Å; S225-T228 WeakPolarHBondContact OG-CB 3.32Å; S225-T228 WeakPolarHBondContact OG-CG2 3.46Å; S225-T228 PolarHBondContact OG-N 3.22Å; S225-T228 VanDerWaalsContact OG-N 3.13Å; S225-T228 PolarHBondContact OG-OG1 3.13Å; S225-L229 PolarHBondContact O-N 2.98Å
226K79.9Confident77.2Confident110 Ų11049.1 Ų49.148%0.47830%0.296SS..Hα-helixtrans-59.1-43.3175.5-171.9176.2176178.10111.9T228 L229 D230 V293 D294K226-T228 PolarHBondContact O-N 3Å; K226-L229 WeakPolarHBondContact O-CB 3.38Å; K226-L229 PolarHBondContact O-N 2.99Å; K226-D230 PolarHBondContact O-N 3.22Å; K226-V293 HydrophobicContact CB-CG1 4.02Å; K226-D294 PolarHBondContact N-O 3.24Å
227D78.9Confident77.2Confident66 Ų6652.7 Ų52.735%0.35331%0.313SS..Hα-helixtrans-55.1-39.9177.1-65.83000112.5S225 L229 D230 C231 S297 F298S225-D227 VanDerWaalsContact C-N 3.3Å; S225-D227 PolarHBondContact O-N 3.14Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.93Å; D227-D230 PolarHBondContact O-N 3.46Å; D227-C231 WeakPolarHBondContact O-CB 3.02Å; D227-C231 PolarHBondContact O-N 3.28Å; D227-C231 PolarHBondContact O-SG 3.06Å; D227-C231 VanDerWaalsContact O-SG 3.33Å; D227-S297 WeakPolarHBondContact OD2-CA 3.46Å; D227-S297 WeakPolarHBondContact OD2-CB 3.43Å; D227-F298 PolarHBondContact OD2-N 3.48Å
228T77.3Confident77Confident1 Ų152.7 Ų52.71%0.00630%0.301CS..Hα-helixtrans-66-37.6177.851.10000112.4L175 S225 K226 V232 F298L175-T228 HydrophobicContact CD1-CG2 3.32Å; L175-T228 HydrophobicContact CD2-CG2 3.95Å; L175-T228 HydrophobicContact CG-CG2 3.39Å; S225-T228 PolarHBondContact N-OG1 3.07Å; S225-T228 PolarHBondContact O-N 2.88Å; S225-T228 PolarHBondContact O-OG1 2.88Å; S225-T228 WeakPolarHBondContact OG-CB 3.32Å; S225-T228 WeakPolarHBondContact OG-CG2 3.46Å; S225-T228 PolarHBondContact OG-N 3.22Å; S225-T228 VanDerWaalsContact OG-N 3.13Å; S225-T228 PolarHBondContact OG-OG1 3.13Å; K226-T228 PolarHBondContact O-N 3Å; T228-V232 WeakPolarHBondContact O-CG2 3.46Å; T228-V232 PolarHBondContact O-N 3.45Å; T228-V232 VanDerWaalsContact O-N 3.16Å; T228-F298 HydrophobicContact CG2-CB 4.37Å; T228-F298 HydrophobicContact CG2-CD2 4.1Å; T228-F298 HydrophobicContact CG2-CG 4.38Å
229L80.4Confident76.9Confident12 Ų1251.9 Ų51.96%0.06329%0.293CS..Hα-helixtrans-70.3-40.4176.5-67.1172000111.2L174 M212 S225 K226 D227 V232 S233 F280 V293L174-L229 HydrophobicContact CD2-CD2 4.03Å; M212-L229 HydrophobicContact CE-CD2 3.82Å; S225-L229 PolarHBondContact O-N 2.98Å; K226-L229 WeakPolarHBondContact O-CB 3.38Å; K226-L229 PolarHBondContact O-N 2.99Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.93Å; L229-V232 PolarHBondContact O-N 3.33Å; L229-S233 PolarHBondContact O-N 3.48Å; L229-F280 HydrophobicContact CD2-CE2 4.23Å; L229-F280 HydrophobicContact CD2-CZ 4.39Å; L229-V293 HydrophobicContact CD1-CG1 4.11Å; L229-V293 HydrophobicContact CD1-CG2 3.92Å
230D81.6Confident77.7Confident75 Ų7547.6 Ų47.640%0.40126%0.262SS..Hα-helixtrans-61.7-44.5176.3-67.1-17000110.3K226 D227 V232 S233 D234K226-D230 PolarHBondContact O-N 3.22Å; D227-D230 PolarHBondContact O-N 3.46Å; D230-V232 PolarHBondContact O-N 2.96Å; D230-S233 WeakPolarHBondContact O-CB 3.18Å; D230-S233 PolarHBondContact O-N 2.99Å; D230-S233 VanDerWaalsContact O-N 3.13Å; D230-D234 PolarHBondContact O-N 3.46Å
231C79.2Confident78.3Confident51 Ų5148.3 Ų48.335%0.34526%0.264SS..Hα-helixtrans-60.8-39.2174.5-730000113.3L175 D227 S233 D234 V235L175-C231 HydrophobicContact CD2-CB 3.63Å; D227-C231 WeakPolarHBondContact O-CB 3.02Å; D227-C231 PolarHBondContact O-N 3.28Å; D227-C231 PolarHBondContact O-SG 3.06Å; D227-C231 VanDerWaalsContact O-SG 3.33Å; C231-S233 VanDerWaalsContact C-N 3.33Å; C231-D234 PolarHBondContact O-N 3.15Å; C231-V235 VanDerWaalsContact O-CG2 3.28Å; C231-V235 WeakPolarHBondContact O-CG2 3.45Å; C231-V235 PolarHBondContact O-N 2.87Å
232V79.9Confident78Confident5 Ų544.4 Ų44.43%0.0325%0.248CC..Hα-helixtrans-66.5-38.9175.2178.60000110.9L174 A178 T228 L229 D230 V235 L236 F280L174-V232 HydrophobicContact CD1-CG2 4.32Å; L174-V232 HydrophobicContact CD2-CG2 4.25Å; L174-V232 HydrophobicContact CG-CG2 3.93Å; A178-V232 HydrophobicContact CB-CB 4.49Å; A178-V232 HydrophobicContact CB-CG2 3.65Å; T228-V232 WeakPolarHBondContact O-CG2 3.46Å; T228-V232 PolarHBondContact O-N 3.45Å; T228-V232 VanDerWaalsContact O-N 3.16Å; L229-V232 PolarHBondContact O-N 3.33Å; D230-V232 PolarHBondContact O-N 2.96Å; V232-V235 PolarHBondContact O-N 2.86Å; V232-L236 HydrophobicContact CG1-CD1 4.11Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 VanDerWaalsContact O-CG 3.31Å; V232-L236 WeakPolarHBondContact O-CG 3.11Å; V232-L236 PolarHBondContact O-N 3.35Å; V232-F280 HydrophobicContact CB-CE2 3.78Å; V232-F280 HydrophobicContact CB-CZ 3.94Å; V232-F280 HydrophobicContact CG1-CD2 3.8Å; V232-F280 HydrophobicContact CG1-CE2 3.42Å; V232-F280 VanDerWaalsContact CG1-CE2 3.42Å; V232-F280 HydrophobicContact CG1-CZ 3.89Å
233S81.5Confident77.1Confident44 Ų4446 Ų4631%0.30826%0.263SS..Hα-helixtrans-62.1-45.2174.5-173.80000111.6L229 D230 C231 V235 L236 L237L229-S233 PolarHBondContact O-N 3.48Å; D230-S233 WeakPolarHBondContact O-CB 3.18Å; D230-S233 PolarHBondContact O-N 2.99Å; D230-S233 VanDerWaalsContact O-N 3.13Å; C231-S233 VanDerWaalsContact C-N 3.33Å; S233-V235 PolarHBondContact O-N 3.33Å; S233-L236 PolarHBondContact O-N 3.4Å; S233-L237 VanDerWaalsContact O-CG 3.3Å; S233-L237 WeakPolarHBondContact O-CG 3.43Å; S233-L237 PolarHBondContact O-N 3.5Å
234D82.6Confident75.2Confident83 Ų8348.4 Ų48.444%0.44428%0.282SS..Hα-helixtrans-60.2-45.2177.5-69.6-18.3000111D230 C231 L236 L237 D238D230-D234 PolarHBondContact O-N 3.46Å; C231-D234 PolarHBondContact O-N 3.15Å; D234-L236 VanDerWaalsContact C-N 3.34Å; D234-L236 PolarHBondContact O-N 3.06Å; D234-L237 PolarHBondContact O-N 3.25Å; D234-D238 WeakPolarHBondContact O-CB 3.16Å; D234-D238 PolarHBondContact O-N 3.14Å
235V80.1Confident73.4Confident12 Ų1252.8 Ų52.87%0.07331%0.313CS..Hα-helixtrans-60.1-42.8176.1168.90000111.7K182 C231 V232 S233 L239K182-V235 HydrophobicContact CB-CG1 3.81Å; K182-V235 HydrophobicContact CD-CG1 4.31Å; K182-V235 HydrophobicContact CD-CG2 4.33Å; K182-V235 HydrophobicContact CG-CG1 4.24Å; C231-V235 VanDerWaalsContact O-CG2 3.28Å; C231-V235 WeakPolarHBondContact O-CG2 3.45Å; C231-V235 PolarHBondContact O-N 2.87Å; V232-V235 PolarHBondContact O-N 2.86Å; S233-V235 PolarHBondContact O-N 3.33Å; V235-L239 HydrophobicContact CG1-CD1 3.95Å; V235-L239 WeakPolarHBondContact O-CB 3.44Å; V235-L239 WeakPolarHBondContact O-CG 3.38Å; V235-L239 PolarHBondContact O-N 2.93Å
236L78.8Confident71.3Confident11 Ų1157.6 Ų57.66%0.05835%0.347CS..Hα-helixtrans-68.2-36178.6-71.3173.4000112.2L205 V232 S233 D234 S240 V277 F280L205-L236 HydrophobicContact CD1-CD2 4.49Å; V232-L236 HydrophobicContact CG1-CD1 4.11Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 VanDerWaalsContact O-CG 3.31Å; V232-L236 WeakPolarHBondContact O-CG 3.11Å; V232-L236 PolarHBondContact O-N 3.35Å; S233-L236 PolarHBondContact O-N 3.4Å; D234-L236 VanDerWaalsContact C-N 3.34Å; D234-L236 PolarHBondContact O-N 3.06Å; L236-S240 PolarHBondContact O-N 3.15Å; L236-S240 VanDerWaalsContact O-N 3.08Å; L236-S240 PolarHBondContact O-OG 3.2Å; L236-V277 HydrophobicContact CB-CG2 4.28Å; L236-V277 HydrophobicContact CD1-CG2 4.44Å; L236-V277 HydrophobicContact CD2-CG2 4.19Å; L236-F280 HydrophobicContact CD1-CB 3.92Å; L236-F280 HydrophobicContact CD1-CD1 3.84Å; L236-F280 HydrophobicContact CD1-CD2 4.36Å; L236-F280 HydrophobicContact CD1-CE1 4.48Å; L236-F280 HydrophobicContact CD1-CG 3.77Å
237L80.4Confident69.1Low100 Ų10055.2 Ų55.252%0.52435%0.354SS..Hα-helixtrans-66.9-47.1174.7-72171000111.2S233 D234 L239 S240 A241S233-L237 VanDerWaalsContact O-CG 3.3Å; S233-L237 WeakPolarHBondContact O-CG 3.43Å; S233-L237 PolarHBondContact O-N 3.5Å; D234-L237 PolarHBondContact O-N 3.25Å; L237-L239 VanDerWaalsContact C-N 3.3Å; L237-L239 PolarHBondContact O-N 3.21Å; L237-S240 WeakPolarHBondContact CA-OG 3.22Å; L237-S240 PolarHBondContact O-N 3.23Å; L237-S240 VanDerWaalsContact O-N 3.16Å; L237-S240 PolarHBondContact O-OG 3.22Å; L237-A241 PolarHBondContact O-N 2.96Å
238D79.9Confident66.7Low86 Ų8659.4 Ų59.446%0.4638%0.376SS..Hα-helixtrans-57-43.8176.8-76.5-9000111.6K182 D234 A241 A242K182-D238 IonicContact NZ-OD2 3.9Å; D234-D238 WeakPolarHBondContact O-CB 3.16Å; D234-D238 PolarHBondContact O-N 3.14Å; D238-A241 PolarHBondContact O-N 3.41Å; D238-A242 WeakPolarHBondContact O-CB 3.27Å; D238-A242 PolarHBondContact O-N 3.14Å
239L75.4Confident64.4Low11 Ų1169 Ų696%0.05842%0.421CS..Hα-helixtrans-68.3-36.6178.8-69.3170.1000112.4K182 M185 L186 L205 V235 L237 A242 S243 L273K182-L239 HydrophobicContact CG-CD2 4.24Å; M185-L239 HydrophobicContact CB-CD1 4.41Å; M185-L239 HydrophobicContact CB-CD2 3.72Å; M185-L239 HydrophobicContact CG-CD1 4.24Å; M185-L239 HydrophobicContact CG-CD2 4.43Å; L186-L239 HydrophobicContact CD2-CD2 4.47Å; L186-L239 HydrophobicContact CG-CD2 4.38Å; L205-L239 HydrophobicContact CD1-CD1 4.42Å; V235-L239 HydrophobicContact CG1-CD1 3.95Å; V235-L239 WeakPolarHBondContact O-CB 3.44Å; V235-L239 WeakPolarHBondContact O-CG 3.38Å; V235-L239 PolarHBondContact O-N 2.93Å; L237-L239 VanDerWaalsContact C-N 3.3Å; L237-L239 PolarHBondContact O-N 3.21Å; L239-A242 PolarHBondContact O-N 2.72Å; L239-S243 PolarHBondContact O-N 3.43Å; L239-S243 PolarHBondContact O-OG 3.31Å; L239-L273 HydrophobicContact CB-CD1 3.74Å; L239-L273 HydrophobicContact CD1-CD1 4.23Å
240S73.8Confident62Low42 Ų4277.9 Ų77.929%0.29446%0.462SS..Hα-helixtrans-68.4-35.1175.168.10000112.8L236 L237 S243 D244L236-S240 PolarHBondContact O-N 3.15Å; L236-S240 VanDerWaalsContact O-N 3.08Å; L236-S240 PolarHBondContact O-OG 3.2Å; L237-S240 WeakPolarHBondContact CA-OG 3.22Å; L237-S240 PolarHBondContact O-N 3.23Å; L237-S240 VanDerWaalsContact O-N 3.16Å; L237-S240 PolarHBondContact O-OG 3.22Å; S240-S243 PolarHBondContact O-OG 3.3Å; S240-D244 PolarHBondContact O-N 3.2Å
241A72Confident59.4Low58 Ų5879.2 Ų79.248%0.47948%0.477SS..Hα-helixtrans-71-36.8174.800000111.9L237 D238 D244 S245L237-A241 PolarHBondContact O-N 2.96Å; D238-A241 PolarHBondContact O-N 3.41Å; A241-D244 PolarHBondContact O-N 2.97Å; A241-S245 PolarHBondContact O-N 3.17Å
242A61.1Low57Low38 Ų3884.3 Ų84.331%0.31450%0.501SS..Hα-helixtrans-65.6-37.1177.700000112.2D238 L239 D244 S245 S246D238-A242 WeakPolarHBondContact O-CB 3.27Å; D238-A242 PolarHBondContact O-N 3.14Å; L239-A242 PolarHBondContact O-N 2.72Å; A242-D244 VanDerWaalsContact C-N 3.3Å; A242-D244 PolarHBondContact O-N 3.05Å; A242-S245 PolarHBondContact O-N 3.12Å; A242-S245 PolarHBondContact O-OG 3.29Å; A242-S246 PolarHBondContact O-N 3.44Å
243S55.7Low54.5Low70 Ų7087.8 Ų87.849%0.4954%0.538SS..Hα-helixtrans-67.3-27.517552.10000114L239 S240 S246L239-S243 PolarHBondContact O-N 3.43Å; L239-S243 PolarHBondContact O-OG 3.31Å; S240-S243 PolarHBondContact O-OG 3.3Å; S243-S246 PolarHBondContact O-OG 2.82Å
244D42.3Very low52Low141 Ų14194.8 Ų94.875%0.75457%0.566SS**Hα-helixtrans-79.1-21.9176.4-71.2-14.7000112.2S240 A241 A242S240-D244 PolarHBondContact O-N 3.2Å; A241-D244 PolarHBondContact O-N 2.97Å; A242-D244 VanDerWaalsContact C-N 3.3Å; A242-D244 PolarHBondContact O-N 3.05Å
245S41.6Very low49.5Very low92 Ų9299 Ų9964%0.64358%0.582SS**Hα-helixtrans-87.1-16.2-178.4720000114.9A241 A242 G247A241-S245 PolarHBondContact O-N 3.17Å; A242-S245 PolarHBondContact O-N 3.12Å; A242-S245 PolarHBondContact O-OG 3.29Å; S245-G247 PolarHBondContact O-N 3.24Å; S245-G247 VanDerWaalsContact O-N 3.13Å
246S36Very low47.2Very low101 Ų101103.8 Ų103.871%0.70662%0.617SS**THydrogen-bonded Turntrans-81.921.7-178.459.20000114.2A242 S243A242-S246 PolarHBondContact O-N 3.44Å; S243-S246 PolarHBondContact O-OG 2.82Å
247G32.3Very low44.9Very low61 Ų61112.5 Ų112.563%0.62965%0.654SS**THydrogen-bonded Turntrans-87-16.3-178.900000116S245S245-G247 PolarHBondContact O-N 3.24Å; S245-G247 VanDerWaalsContact O-N 3.13Å
248D29.4Very low42.6Very low153 Ų153117.7 Ų117.782%0.81867%0.673SS**SBendtrans-148.581.7-173.3-79.5-39.3000111.8
249E28Very low40.8Very low203 Ų203122.1 Ų122.195%0.94969%0.69SS**  trans-158.479.8148-74-154169.800109.7
250E31.4Very low39.5Very low199 Ų199127 Ų12793%0.9371%0.713SS**  trans-94.4115.2151.7-79.8-168.716600108.2
251S26.1Very low38.4Very low102 Ų102128.9 Ų128.971%0.71373%0.732SS**  trans167.9130.8138.1173.20000113
252D28.8Very low37.6Very low159 Ų159128.9 Ų128.985%0.8573%0.725SS**  trans81.2116.2150.4-7613.6000122.1
253G27.2Very low37.9Very low78 Ų78131 Ų13180%0.80473%0.731SS**  125.4102.2124.100000117.6
254E30.3Very low38.5Very low190 Ų190135.8 Ų135.889%0.88875%0.746SS**  trans-40.4133.5173.9-60.3170.9140.400117.5
255E29.1Very low39.6Very low171 Ų171134.6 Ų134.680%0.79974%0.736SS**  160.8114.3108.1-84.8-161.7155.200112.5
256S30.9Very low41Very low114 Ų114130.4 Ų130.480%0.79771%0.706SS**  trans66.778.5151.674.20000120.6
257K31.5Very low42.6Very low194 Ų194131.2 Ų131.284%0.84370%0.699SS**  -154127.8124.8-103.4167.5-169.4175.10106.3E259K257-E259 PolarHBondContact O-N 3.14Å
258K32.5Very low44.6Very low208 Ų208130.8 Ų130.890%0.90469%0.689SS**  trans-62.890.9167.1-74.5-179.3175.5-177.40106.6E260K258-E260 PolarHBondContact O-N 3.02Å
259E41.1Very low46.8Very low179 Ų179124.8 Ų124.884%0.83666%0.657SS**  trans-60.9117.8160.7-66.8-167.2155.100105.3K257 A261K257-E259 PolarHBondContact O-N 3.14Å; E259-A261 PolarHBondContact O-N 3.37Å
260E48.7Very low49Very low113 Ų113119 Ų11953%0.52863%0.628SS.*  trans-58.2115.7-177.7-74.3163.6160.200107.1H190 K194 K258 V262H190-E260 IonicContact CD2-OE1 3.38Å; H190-E260 IonicContact CD2-OE2 3.02Å; H190-E260 PolarHBondContact CD2-OE2 3.01Å; H190-E260 IonicContact CE1-OE1 2.91Å; H190-E260 IonicContact CG-OE2 3.26Å; H190-E260 IonicContact NE2-OE1 2.74Å; H190-E260 PolarHBondContact NE2-OE1 3.25Å; H190-E260 IonicContact NE2-OE2 2.63Å; H190-E260 PolarHBondContact NE2-OE2 3.34Å; H190-E260 VanDerWaalsContact NE2-OE2 3.13Å; K194-E260 IonicContact NZ-OE1 3.19Å; K194-E260 PolarHBondContact NZ-OE1 3.23Å; K194-E260 IonicContact NZ-OE2 3.31Å; K194-E260 PolarHBondContact NZ-OE2 3.27Å; K258-E260 PolarHBondContact O-N 3.02Å; E260-V262 PolarHBondContact O-N 2.95Å
261A49.8Very low51.3Low83 Ų83112.9 Ų112.969%0.68661%0.612SS**PPolyproline II helixtrans-55.5134-169.900000110.9E259 D263E259-A261 PolarHBondContact O-N 3.37Å; A261-D263 PolarHBondContact O-N 2.83Å
262V56.7Low54.1Low58 Ų58111.6 Ų111.635%0.35260%0.597SS.*PPolyproline II helixtrans-61.7120166.8179.20000106.6E260 D266 E267E260-V262 PolarHBondContact O-N 2.95Å; V262-D266 HydrophobicContact CG1-CB 3.64Å; V262-E267 HydrophobicContact CG1-CG 4.17Å
263D66.2Low56.5Low82 Ų82105 Ų10544%0.43956%0.562SS.*PPolyproline II helixtrans-70151.4-178.5-70-31000110.2R202 A261 E265 D266 E267R202-D263 IonicContact NH2-OD2 2.83Å; A261-D263 PolarHBondContact O-N 2.83Å; D263-E265 PolarHBondContact O-N 2.79Å; D263-D266 WeakPolarHBondContact O-CA 3.21Å; D263-D266 WeakPolarHBondContact O-CB 2.94Å; D263-D266 PolarHBondContact O-N 2.82Å; D263-E267 PolarHBondContact O-N 2.79Å
264E68.2Low59.3Low171 Ų171105.6 Ų105.680%0.79955%0.551SS**Hα-helixtrans-52.5-29.1174.4-66.9-179174.700112.3E267 A268E264-E267 PolarHBondContact O-N 2.78Å; E264-A268 PolarHBondContact O-N 3.33Å; E264-A268 VanDerWaalsContact O-N 3.08Å
265E66.8Low61.9Low115 Ų115101.3 Ų101.354%0.53753%0.531SS..Hα-helixtrans-76.9-27.8177.8-59.2179.7142.700112.7R202 D263 E267 A268 E269R202-E265 VanDerWaalsContact CZ-CB 3.41Å; R202-E265 IonicContact CZ-OE2 2.75Å; R202-E265 VanDerWaalsContact NH1-CD 3.34Å; R202-E265 IonicContact NH1-OE2 3.88Å; R202-E265 PolarHBondContact NH1-OE2 2.91Å; R202-E265 IonicContact NH2-OE2 3.68Å; R202-E265 PolarHBondContact NH2-OE2 3.49Å; D263-E265 PolarHBondContact O-N 2.79Å; E265-E267 VanDerWaalsContact C-N 3.34Å; E265-A268 WeakPolarHBondContact O-CB 3.15Å; E265-A268 PolarHBondContact O-N 2.91Å; E265-E269 PolarHBondContact O-N 3.39Å
266D69.9Low64.6Low5 Ų594.7 Ų94.73%0.02750%0.499CS..Hα-helixtrans-71.3-33.9171.7-70.2-2.6000110G188 I189 R202 V262 D263 E269 K270G188-D266 VanDerWaalsContact CA-OD2 3.29Å; G188-D266 WeakPolarHBondContact CA-OD2 3.38Å; I189-D266 PolarHBondContact N-OD2 3.24Å; R202-D266 IonicContact CZ-OD1 2.73Å; R202-D266 IonicContact NE-OD1 2.67Å; R202-D266 PolarHBondContact NE-OD1 2.9Å; R202-D266 IonicContact NH2-OD1 2.63Å; V262-D266 HydrophobicContact CG1-CB 3.64Å; D263-D266 WeakPolarHBondContact O-CA 3.21Å; D263-D266 WeakPolarHBondContact O-CB 2.94Å; D263-D266 PolarHBondContact O-N 2.82Å; D266-E269 PolarHBondContact O-N 2.51Å; D266-K270 WeakPolarHBondContact O-CG 3.28Å; D266-K270 PolarHBondContact O-N 3.26Å; D266-K270 VanDerWaalsContact O-N 3.14Å
267E71Confident67.1Low117 Ų11790.8 Ų90.855%0.54747%0.47SS..Hα-helixtrans-66.8-37.8171.3-62.3-174.8166.200112.2V262 D263 E264 E265 E269 K270 A271V262-E267 HydrophobicContact CG1-CG 4.17Å; D263-E267 PolarHBondContact O-N 2.79Å; E264-E267 PolarHBondContact O-N 2.78Å; E265-E267 VanDerWaalsContact C-N 3.34Å; E267-E269 VanDerWaalsContact C-N 3.27Å; E267-E269 PolarHBondContact O-N 3.38Å; E267-K270 WeakPolarHBondContact O-CB 3.45Å; E267-K270 PolarHBondContact O-N 2.97Å; E267-A271 PolarHBondContact O-N 3.14Å
268A74.3Confident69.8Low52 Ų5284 Ų8443%0.4345%0.447SS..Hα-helixtrans-62.5-33.9173.700000112.3E264 E265 A271 N272E264-A268 PolarHBondContact O-N 3.33Å; E264-A268 VanDerWaalsContact O-N 3.08Å; E265-A268 WeakPolarHBondContact O-CB 3.15Å; E265-A268 PolarHBondContact O-N 2.91Å; A268-A271 PolarHBondContact O-N 3.29Å; A268-N272 PolarHBondContact O-N 3.36Å; A268-N272 PolarHBondContact O-ND2 2.82Å
269E73.7Confident72.4Confident28 Ų2878 Ų7813%0.13142%0.418CS..Hα-helixtrans-71.8-36.3173.9-67.4-158.3153.800113M185 R202 G203 E265 D266 E267 A271 N272M185-E269 HydrophobicContact CE-CB 3.75Å; R202-E269 WeakPolarHBondContact CB-OE1 3.17Å; G203-E269 PolarHBondContact N-OE1 3.48Å; G203-E269 PolarHBondContact N-OE2 3.48Å; E265-E269 PolarHBondContact O-N 3.39Å; D266-E269 PolarHBondContact O-N 2.51Å; E267-E269 VanDerWaalsContact C-N 3.27Å; E267-E269 PolarHBondContact O-N 3.38Å; E269-A271 VanDerWaalsContact C-N 3.27Å; E269-A271 PolarHBondContact O-N 3.44Å; E269-N272 WeakPolarHBondContact O-CB 3.49Å; E269-N272 PolarHBondContact O-N 2.78Å; E269-N272 VanDerWaalsContact O-N 3.08Å
270K74.8Confident74.6Confident80 Ų8070 Ų7035%0.34838%0.381SS..Hα-helixtrans-60.9-38.8170.7-66.7176.4-168.4-1670111.4M185 D266 E267 N272 L273M185-K270 WeakPolarHBondContact O-CE 3.24Å; M185-K270 PolarHBondContact O-NZ 3.2Å; M185-K270 HydrophobicContact SD-CB 4.41Å; M185-K270 HydrophobicContact SD-CG 3.74Å; D266-K270 WeakPolarHBondContact O-CG 3.28Å; D266-K270 PolarHBondContact O-N 3.26Å; D266-K270 VanDerWaalsContact O-N 3.14Å; E267-K270 WeakPolarHBondContact O-CB 3.45Å; E267-K270 PolarHBondContact O-N 2.97Å; K270-N272 PolarHBondContact O-N 3.19Å; K270-L273 WeakPolarHBondContact O-CB 3.48Å; K270-L273 PolarHBondContact O-N 3.29Å; K270-L273 VanDerWaalsContact O-N 3.12Å
271A80.8Confident76.4Confident71 Ų7171.2 Ų71.259%0.58739%0.385SS*.Hα-helixtrans-64.4-23175.900000113.4E267 A268 E269 L273 P274E267-A271 PolarHBondContact O-N 3.14Å; A268-A271 PolarHBondContact O-N 3.29Å; E269-A271 VanDerWaalsContact C-N 3.27Å; E269-A271 PolarHBondContact O-N 3.44Å; A271-L273 VanDerWaalsContact C-N 3.31Å; A271-P274 WeakPolarHBondContact O-CD 3.4Å
272N83.3Confident78.4Confident76 Ų7672.6 Ų72.641%0.40638%0.377SS..THydrogen-bonded Turntrans-82.3-5.5176.6-67.9-33.5000113.7A268 E269 K270 H275 Y276A268-N272 PolarHBondContact O-N 3.36Å; A268-N272 PolarHBondContact O-ND2 2.82Å; E269-N272 WeakPolarHBondContact O-CB 3.49Å; E269-N272 PolarHBondContact O-N 2.78Å; E269-N272 VanDerWaalsContact O-N 3.08Å; K270-N272 PolarHBondContact O-N 3.19Å; N272-H275 WeakPolarHBondContact O-CB 3.35Å; N272-H275 PolarHBondContact O-N 2.88Å; N272-H275 VanDerWaalsContact O-N 3.09Å; N272-Y276 HydrophobicContact CB-CD2 4.33Å; N272-Y276 HydrophobicContact CB-CE2 3.75Å; N272-Y276 WeakPolarHBondContact O-CD2 3.19Å; N272-Y276 PolarHBondContact O-N 2.89Å
273L81.1Confident79.7Confident20 Ų2070.3 Ų70.311%0.10536%0.363CS..Hα-helixtrans-52.6-47.2180-163.9137.5000115.1L239 K270 A271 H275 Y276 V277L239-L273 HydrophobicContact CB-CD1 3.74Å; L239-L273 HydrophobicContact CD1-CD1 4.23Å; K270-L273 WeakPolarHBondContact O-CB 3.48Å; K270-L273 PolarHBondContact O-N 3.29Å; K270-L273 VanDerWaalsContact O-N 3.12Å; A271-L273 VanDerWaalsContact C-N 3.31Å; L273-H275 VanDerWaalsContact C-N 3.25Å; L273-H275 PolarHBondContact O-N 3.33Å; L273-Y276 PolarHBondContact O-N 3.4Å; L273-Y276 VanDerWaalsContact O-N 3.1Å; L273-V277 HydrophobicContact CD2-CG2 4.16Å; L273-V277 WeakPolarHBondContact O-CG2 3.28Å; L273-V277 PolarHBondContact O-N 2.85Å
274P84.3Confident80.5Confident90 Ų9067.5 Ų67.558%0.58435%0.349SS*.Hα-helixtrans-60.7-34.1176.922.1-34.2000113.1A271 V277 S278A271-P274 WeakPolarHBondContact O-CD 3.4Å; P274-V277 PolarHBondContact O-N 3.44Å; P274-S278 PolarHBondContact O-N 3.46Å
275H86.4Confident81.4Confident100 Ų10062.4 Ų62.446%0.46333%0.333SS..Hα-helixtrans-70.3-36.6175.7172.6-89.7000111.8N272 L273 V277 S278 R279N272-H275 WeakPolarHBondContact O-CB 3.35Å; N272-H275 PolarHBondContact O-N 2.88Å; N272-H275 VanDerWaalsContact O-N 3.09Å; L273-H275 VanDerWaalsContact C-N 3.25Å; L273-H275 PolarHBondContact O-N 3.33Å; H275-V277 VanDerWaalsContact C-N 3.34Å; H275-S278 PolarHBondContact O-N 3.14Å; H275-S278 PolarHBondContact O-OG 3.33Å; H275-R279 WeakPolarHBondContact O-CB 3.42Å; H275-R279 PolarHBondContact O-N 3.03Å; H275-R279 VanDerWaalsContact O-N 3.07Å
276Y84.6Confident82.3Confident33 Ų3360.7 Ų60.713%0.12933%0.325CS..Hα-helixtrans-64.4-39.9172.5-64.7-47.3000111.9L205 L209 N272 L273 F280L205-Y276 HydrophobicContact CB-CD2 4.22Å; L205-Y276 HydrophobicContact CB-CE2 4.4Å; L205-Y276 HydrophobicContact CB-CG 4.39Å; L205-Y276 HydrophobicContact CD1-CD2 4.18Å; L209-Y276 HydrophobicContact CD1-CD1 3.58Å; L209-Y276 HydrophobicContact CD1-CE1 4.4Å; L209-Y276 HydrophobicContact CD1-CG 4.38Å; N272-Y276 HydrophobicContact CB-CD2 4.33Å; N272-Y276 HydrophobicContact CB-CE2 3.75Å; N272-Y276 WeakPolarHBondContact O-CD2 3.19Å; N272-Y276 PolarHBondContact O-N 2.89Å; L273-Y276 PolarHBondContact O-N 3.4Å; L273-Y276 VanDerWaalsContact O-N 3.1Å; Y276-F280 VanDerWaalsContact O-CB 3.27Å; Y276-F280 WeakPolarHBondContact O-CB 3.46Å; Y276-F280 PolarHBondContact O-N 3.24Å
277V84.5Confident82.9Confident32 Ų3260.5 Ų60.519%0.19432%0.324CS..Hα-helixtrans-64.7-43.1177.3174.70000111.7L236 L273 P274 H275 F280 K281L236-V277 HydrophobicContact CB-CG2 4.28Å; L236-V277 HydrophobicContact CD1-CG2 4.44Å; L236-V277 HydrophobicContact CD2-CG2 4.19Å; L273-V277 HydrophobicContact CD2-CG2 4.16Å; L273-V277 WeakPolarHBondContact O-CG2 3.28Å; L273-V277 PolarHBondContact O-N 2.85Å; P274-V277 PolarHBondContact O-N 3.44Å; H275-V277 VanDerWaalsContact C-N 3.34Å; V277-F280 PolarHBondContact O-N 2.9Å; V277-K281 HydrophobicContact CG1-CD 4.41Å; V277-K281 WeakPolarHBondContact O-CG 3.28Å; V277-K281 PolarHBondContact O-N 2.82Å; V277-K281 VanDerWaalsContact O-N 3.09Å
278S87.3Confident83.6Confident50 Ų5061.3 Ų61.335%0.3533%0.328SS..Hα-helixtrans-64.7-47177.865.10000111.5P274 H275 F280 K281 E282P274-S278 PolarHBondContact O-N 3.46Å; H275-S278 PolarHBondContact O-N 3.14Å; H275-S278 PolarHBondContact O-OG 3.33Å; S278-F280 VanDerWaalsContact C-N 3.33Å; S278-F280 PolarHBondContact O-N 3.19Å; S278-K281 PolarHBondContact O-N 3Å; S278-E282 WeakPolarHBondContact O-CG 3.48Å; S278-E282 PolarHBondContact O-N 3.47Å
279R87.6Confident84.1Confident82 Ų8263.6 Ų63.631%0.30934%0.34SS..Hα-helixtrans-64.9-36.4178.8-172.5167.2175.3-177.91.5112.2L209 E213 H275 E282 L283L209-R279 HydrophobicContact CD1-CB 4.13Å; L209-R279 HydrophobicContact CD1-CG 4.09Å; E213-R279 IonicContact OE1-CZ 2.78Å; E213-R279 IonicContact OE1-NE 2.79Å; E213-R279 PolarHBondContact OE1-NE 3.37Å; E213-R279 IonicContact OE1-NH2 3.65Å; E213-R279 PolarHBondContact OE1-NH2 2.88Å; E213-R279 IonicContact OE2-NH2 2.59Å; E213-R279 PolarHBondContact OE2-NH2 3.29Å; H275-R279 WeakPolarHBondContact O-CB 3.42Å; H275-R279 PolarHBondContact O-N 3.03Å; H275-R279 VanDerWaalsContact O-N 3.07Å; R279-E282 PolarHBondContact O-N 2.86Å; R279-L283 HydrophobicContact CG-CD1 3.95Å; R279-L283 HydrophobicContact CG-CG 4.35Å; R279-L283 WeakPolarHBondContact O-CB 3.41Å; R279-L283 VanDerWaalsContact O-CG 3.29Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; R279-L283 PolarHBondContact O-N 3.4Å
280F87.2Confident84.6Confident13 Ų1366.5 Ų66.56%0.05735%0.354CS..Hα-helixtrans-61.7-46.2173.2179.9-101.7000111.8L209 M212 L229 V232 L236 Y276 V277 S278 E282 L283 S284L209-F280 HydrophobicContact CD2-CB 3.96Å; L209-F280 HydrophobicContact CD2-CD2 4.21Å; M212-F280 HydrophobicContact CE-CD2 3.89Å; M212-F280 HydrophobicContact CE-CE2 3.82Å; M212-F280 HydrophobicContact SD-CD2 3.62Å; M212-F280 HydrophobicContact SD-CE2 3.76Å; L229-F280 HydrophobicContact CD2-CE2 4.23Å; L229-F280 HydrophobicContact CD2-CZ 4.39Å; V232-F280 HydrophobicContact CB-CE2 3.78Å; V232-F280 HydrophobicContact CB-CZ 3.94Å; V232-F280 HydrophobicContact CG1-CD2 3.8Å; V232-F280 HydrophobicContact CG1-CE2 3.42Å; V232-F280 VanDerWaalsContact CG1-CE2 3.42Å; V232-F280 HydrophobicContact CG1-CZ 3.89Å; L236-F280 HydrophobicContact CD1-CB 3.92Å; L236-F280 HydrophobicContact CD1-CD1 3.84Å; L236-F280 HydrophobicContact CD1-CD2 4.36Å; L236-F280 HydrophobicContact CD1-CE1 4.48Å; L236-F280 HydrophobicContact CD1-CG 3.77Å; Y276-F280 VanDerWaalsContact O-CB 3.27Å; Y276-F280 WeakPolarHBondContact O-CB 3.46Å; Y276-F280 PolarHBondContact O-N 3.24Å; V277-F280 PolarHBondContact O-N 2.9Å; S278-F280 VanDerWaalsContact C-N 3.33Å; S278-F280 PolarHBondContact O-N 3.19Å; F280-E282 VanDerWaalsContact C-N 3.35Å; F280-E282 PolarHBondContact O-N 3.32Å; F280-L283 PolarHBondContact O-N 3.46Å; F280-S284 VanDerWaalsContact O-CB 3.32Å; F280-S284 WeakPolarHBondContact O-CB 3.27Å; F280-S284 PolarHBondContact O-N 3.17Å; F280-S284 PolarHBondContact O-OG 3.48Å; F280-S284 VanDerWaalsContact O-OG 3.05Å
281K87.1Confident84.7Confident137 Ų13765.1 Ų65.160%0.59636%0.363SS*.Hα-helixtrans-60.5-43.2176-72.9175.2-178.6176.70111.9V277 S278 S284 S285V277-K281 HydrophobicContact CG1-CD 4.41Å; V277-K281 WeakPolarHBondContact O-CG 3.28Å; V277-K281 PolarHBondContact O-N 2.82Å; V277-K281 VanDerWaalsContact O-N 3.09Å; S278-K281 PolarHBondContact O-N 3Å; K281-S284 WeakPolarHBondContact CA-OG 3.47Å; K281-S284 PolarHBondContact O-OG 2.89Å; K281-S285 PolarHBondContact O-N 3.19Å; K281-S285 VanDerWaalsContact O-N 3.11Å; K281-S285 PolarHBondContact O-OG 2.86Å
282E90.4Very high84.6Confident112 Ų11263.2 Ų63.252%0.52334%0.341SS..Hα-helixtrans-61.5-51.7175.4-71.4171.2-166.300111.6S278 R279 F280 S284 S285 Q286S278-E282 WeakPolarHBondContact O-CG 3.48Å; S278-E282 PolarHBondContact O-N 3.47Å; R279-E282 PolarHBondContact O-N 2.86Å; F280-E282 VanDerWaalsContact C-N 3.35Å; F280-E282 PolarHBondContact O-N 3.32Å; E282-S284 PolarHBondContact O-N 3.27Å; E282-S285 PolarHBondContact O-N 2.88Å; E282-S285 PolarHBondContact O-OG 3.18Å; E282-Q286 WeakPolarHBondContact O-CG 3.48Å; E282-Q286 PolarHBondContact O-N 2.92Å
283L85.2Confident84.5Confident10 Ų1061.3 Ų61.35%0.05233%0.332CS..Hα-helixtrans-66-37.2-178.2-69.4172.6000112.7L209 M212 E213 R279 F280 Q286 L287L209-L283 HydrophobicContact CB-CD1 4.2Å; L209-L283 HydrophobicContact CD2-CD1 4.13Å; M212-L283 HydrophobicContact CB-CB 4.43Å; M212-L283 HydrophobicContact CB-CD1 4.11Å; M212-L283 HydrophobicContact CE-CB 3.74Å; M212-L283 HydrophobicContact SD-CB 4.47Å; E213-L283 HydrophobicContact CG-CD1 3.91Å; E213-L283 HydrophobicContact CG-CD2 3.73Å; R279-L283 HydrophobicContact CG-CD1 3.95Å; R279-L283 HydrophobicContact CG-CG 4.35Å; R279-L283 WeakPolarHBondContact O-CB 3.41Å; R279-L283 VanDerWaalsContact O-CG 3.29Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; R279-L283 PolarHBondContact O-N 3.4Å; F280-L283 PolarHBondContact O-N 3.46Å; L283-Q286 PolarHBondContact O-N 3.38Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.24Å; L283-L287 PolarHBondContact O-N 2.94Å
284S83.3Confident84.3Confident23 Ų2361.3 Ų61.316%0.16133%0.332CS..Hα-helixtrans-61.2-45.3173.862.80000111.3F280 K281 E282 Q286 L287 E288F280-S284 VanDerWaalsContact O-CB 3.32Å; F280-S284 WeakPolarHBondContact O-CB 3.27Å; F280-S284 PolarHBondContact O-N 3.17Å; F280-S284 PolarHBondContact O-OG 3.48Å; F280-S284 VanDerWaalsContact O-OG 3.05Å; K281-S284 WeakPolarHBondContact CA-OG 3.47Å; K281-S284 PolarHBondContact O-OG 2.89Å; E282-S284 PolarHBondContact O-N 3.27Å; S284-Q286 VanDerWaalsContact C-N 3.31Å; S284-Q286 PolarHBondContact O-N 2.89Å; S284-L287 PolarHBondContact O-N 3.39Å; S284-E288 WeakPolarHBondContact O-CG 3.48Å; S284-E288 PolarHBondContact O-N 3.32Å
285S86.8Confident83.9Confident64 Ų6462.6 Ų62.645%0.44834%0.34SS..Hα-helixtrans-63.1-36.5176.5760000112.6K281 E282 S289K281-S285 PolarHBondContact O-N 3.19Å; K281-S285 VanDerWaalsContact O-N 3.11Å; K281-S285 PolarHBondContact O-OG 2.86Å; E282-S285 PolarHBondContact O-N 2.88Å; E282-S285 PolarHBondContact O-OG 3.18Å; S285-S289 WeakPolarHBondContact O-CB 3.36Å; S285-S289 PolarHBondContact O-N 3.44Å
286Q85.4Confident83.5Confident80 Ų8059.5 Ų59.537%0.37433%0.332SS..Hα-helixtrans-66.7-44.9174.8-70.3175.613.100111.7E282 L283 S284 E288 S289 Q290E282-Q286 WeakPolarHBondContact O-CG 3.48Å; E282-Q286 PolarHBondContact O-N 2.92Å; L283-Q286 PolarHBondContact O-N 3.38Å; S284-Q286 VanDerWaalsContact C-N 3.31Å; S284-Q286 PolarHBondContact O-N 2.89Å; Q286-E288 VanDerWaalsContact C-N 3.35Å; Q286-E288 PolarHBondContact O-N 3.4Å; Q286-S289 PolarHBondContact O-N 3.15Å; Q286-S289 PolarHBondContact O-OG 3.43Å; Q286-Q290 VanDerWaalsContact O-CG 3.32Å; Q286-Q290 WeakPolarHBondContact O-CG 3.47Å; Q286-Q290 PolarHBondContact O-N 3.25Å
287L83.1Confident83.3Confident1 Ų159.8 Ų59.81%0.00534%0.339CS..Hα-helixtrans-64.8-38.7178.8-71.7166.2000112.2M212 V215 L224 L283 S284 Q290 G291 K292 V293M212-L287 HydrophobicContact CB-CD1 4.28Å; M212-L287 HydrophobicContact CE-CD1 3.61Å; M212-L287 HydrophobicContact CG-CD1 4.44Å; V215-L287 HydrophobicContact CB-CD2 4.49Å; V215-L287 HydrophobicContact CG1-CD2 4.04Å; L224-L287 HydrophobicContact CD1-CD1 3.78Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.24Å; L283-L287 PolarHBondContact O-N 2.94Å; S284-L287 PolarHBondContact O-N 3.39Å; L287-Q290 PolarHBondContact O-N 3.27Å; L287-G291 PolarHBondContact O-N 2.89Å; L287-K292 HydrophobicContact CD2-CB 4.23Å; L287-K292 HydrophobicContact CD2-CD 4.43Å; L287-K292 PolarHBondContact O-N 3.17Å; L287-K292 VanDerWaalsContact O-N 3.07Å; L287-V293 HydrophobicContact CB-CG2 4.17Å
288E84.1Confident83.1Confident134 Ų13458.7 Ų58.763%0.62633%0.332SS*.Hα-helixtrans-63.6-45.6173.2-73.2-179.7174.400111.4S284 Q286 Q290 G291 V293S284-E288 WeakPolarHBondContact O-CG 3.48Å; S284-E288 PolarHBondContact O-N 3.32Å; Q286-E288 VanDerWaalsContact C-N 3.35Å; Q286-E288 PolarHBondContact O-N 3.4Å; E288-Q290 PolarHBondContact O-N 3.13Å; E288-G291 PolarHBondContact O-N 2.9Å; E288-V293 HydrophobicContact CG-CG2 4.23Å
289S85.1Confident82.9Confident100 Ų10059.9 Ų59.970%0.69933%0.332SS*.Hα-helixtrans-61.4-30.9177.977.70000113.2S285 Q286S285-S289 WeakPolarHBondContact O-CB 3.36Å; S285-S289 PolarHBondContact O-N 3.44Å; Q286-S289 PolarHBondContact O-N 3.15Å; Q286-S289 PolarHBondContact O-OG 3.43Å
290Q83.8Confident82.8Confident88 Ų8858 Ų5841%0.41133%0.334SS..THydrogen-bonded Turntrans-85.8-5.9178.1-68.7177.117.200113.1S216 Q286 L287 E288 K292S216-Q290 PolarHBondContact O-OE1 2.82Å; S216-Q290 PolarHBondContact OG-NE2 3.33Å; Q286-Q290 VanDerWaalsContact O-CG 3.32Å; Q286-Q290 WeakPolarHBondContact O-CG 3.47Å; Q286-Q290 PolarHBondContact O-N 3.25Å; L287-Q290 PolarHBondContact O-N 3.27Å; E288-Q290 PolarHBondContact O-N 3.13Å; Q290-K292 VanDerWaalsContact C-N 3.25Å; Q290-K292 HydrophobicContact CB-CD 4.3Å; Q290-K292 HydrophobicContact CB-CG 4.08Å; Q290-K292 PolarHBondContact O-N 2.67Å
291G77.9Confident82.5Confident52 Ų5258.7 Ų58.754%0.53634%0.338SS..THydrogen-bonded Turntrans66.723.6-177.100000114L287 E288 V293L287-G291 PolarHBondContact O-N 2.89Å; E288-G291 PolarHBondContact O-N 2.9Å; G291-V293 VanDerWaalsContact C-N 3.27Å; G291-V293 PolarHBondContact O-N 3.31Å
292K79.1Confident82.4Confident30 Ų3052.2 Ų52.213%0.1331%0.31CS..  trans-89.215.5-178.5-69.7-176176.5175.90113.6V215 S216 A218 R223 L224 L287 Q290V215-K292 HydrophobicContact CG1-CD 4.4Å; V215-K292 PolarHBondContact O-NZ 3.39Å; S216-K292 PolarHBondContact O-NZ 3.11Å; A218-K292 PolarHBondContact O-NZ 3.41Å; R223-K292 CarbonylContact C-O 3.51Å; R223-K292 WeakPolarHBondContact CA-O 3.13Å; R223-K292 VanDerWaalsContact CB-O 3.24Å; R223-K292 WeakPolarHBondContact CB-O 3.19Å; L224-K292 PolarHBondContact N-O 3.43Å; L287-K292 HydrophobicContact CD2-CB 4.23Å; L287-K292 HydrophobicContact CD2-CD 4.43Å; L287-K292 PolarHBondContact O-N 3.17Å; L287-K292 VanDerWaalsContact O-N 3.07Å; Q290-K292 VanDerWaalsContact C-N 3.25Å; Q290-K292 HydrophobicContact CB-CD 4.3Å; Q290-K292 HydrophobicContact CB-CG 4.08Å; Q290-K292 PolarHBondContact O-N 2.67Å
293V79.6Confident82.2Confident36 Ų3648.4 Ų48.422%0.21830%0.298CS..EExtended strand (participates in β ladder)trans-105.3117.8178.2-176.50000108.8L224 K226 L229 L287 E288 G291L224-V293 CarbonylContact O-C 3.51Å; L224-V293 WeakPolarHBondContact O-CA 2.96Å; K226-V293 HydrophobicContact CB-CG1 4.02Å; L229-V293 HydrophobicContact CD1-CG1 4.11Å; L229-V293 HydrophobicContact CD1-CG2 3.92Å; L287-V293 HydrophobicContact CB-CG2 4.17Å; E288-V293 HydrophobicContact CG-CG2 4.23Å; G291-V293 VanDerWaalsContact C-N 3.27Å; G291-V293 PolarHBondContact O-N 3.31Å
294D76.9Confident82.3Confident20 Ų2050.9 Ų50.911%0.10731%0.313CS..EExtended strand (participates in β ladder)trans-81.4131.5173.2-85.8-32.9000110.5R223 L224 K226 A296 L301R223-D294 HydrophobicContact CB-CB 4.37Å; R223-D294 VanDerWaalsContact CB-OD2 3.28Å; R223-D294 WeakPolarHBondContact CB-OD2 3.28Å; R223-D294 WeakPolarHBondContact CD-OD1 3.41Å; R223-D294 WeakPolarHBondContact CD-OD2 3.32Å; R223-D294 IonicContact CZ-OD1 2.63Å; R223-D294 IonicContact NE-OD1 2.82Å; R223-D294 IonicContact NH1-OD1 3.36Å; R223-D294 PolarHBondContact NH1-OD1 3.41Å; L224-D294 PolarHBondContact O-N 2.68Å; K226-D294 PolarHBondContact N-O 3.24Å; D294-A296 PolarHBondContact O-N 3.03Å; D294-L301 HydrophobicContact CB-CD1 4.29Å
295P76.7Confident82.3Confident117 Ų11750.5 Ų50.576%0.7631%0.309SS*.  trans-76.8-11.417732.7-36000112.7
296A78.6Confident82.2Confident35 Ų3548 Ų4829%0.28929%0.292SS..SBendtrans-72.8143178.400000110.7D294 L301D294-A296 PolarHBondContact O-N 3.03Å; A296-L301 HydrophobicContact CB-CD2 3.88Å; A296-L301 HydrophobicContact CB-CG 3.91Å
297S80.6Confident82.1Confident40 Ų4051.7 Ų51.728%0.2831%0.31SS..  trans-64151.5175.761.90000111.3D227 Q299 A300 L301D227-S297 WeakPolarHBondContact OD2-CA 3.46Å; D227-S297 WeakPolarHBondContact OD2-CB 3.43Å; S297-Q299 PolarHBondContact O-N 2.89Å; S297-A300 PolarHBondContact O-N 3.16Å; S297-A300 VanDerWaalsContact OG-CB 3.29Å; S297-A300 WeakPolarHBondContact OG-CB 3.04Å; S297-A300 PolarHBondContact OG-N 3.09Å; S297-L301 PolarHBondContact O-N 3.36Å
298F78.7Confident82.3Confident9 Ų958.3 Ų58.34%0.03934%0.341CS..Hα-helixtrans-54.5-42177.2177.5-106.4000111.1L139 V168 S171 A172 L175 D227 T228 A300 L301 V302L139-F298 HydrophobicContact CD1-CD1 4.47Å; L139-F298 HydrophobicContact CD1-CE1 4.47Å; V168-F298 HydrophobicContact CG1-CE2 4.02Å; V168-F298 HydrophobicContact CG1-CZ 4.37Å; S171-F298 WeakPolarHBondContact OG-CE2 3.44Å; A172-F298 HydrophobicContact CB-CE2 4.32Å; A172-F298 HydrophobicContact CB-CZ 4.13Å; L175-F298 HydrophobicContact CD1-CD1 4.39Å; L175-F298 HydrophobicContact CD1-CG 4.42Å; D227-F298 PolarHBondContact OD2-N 3.48Å; T228-F298 HydrophobicContact CG2-CB 4.37Å; T228-F298 HydrophobicContact CG2-CD2 4.1Å; T228-F298 HydrophobicContact CG2-CG 4.38Å; F298-A300 PolarHBondContact O-N 3.32Å; F298-L301 PolarHBondContact O-N 3.49Å; F298-V302 HydrophobicContact CD1-CG2 4.19Å; F298-V302 HydrophobicContact CD2-CG2 4.3Å; F298-V302 HydrophobicContact CE1-CG2 3.85Å; F298-V302 HydrophobicContact CE2-CG2 3.96Å; F298-V302 HydrophobicContact CG-CG2 4.4Å; F298-V302 HydrophobicContact CZ-CG2 3.72Å; F298-V302 WeakPolarHBondContact O-CG2 3.35Å; F298-V302 PolarHBondContact O-N 3.03Å
299Q84.6Confident82.3Confident75 Ų7554.8 Ų54.835%0.3533%0.326SS..Hα-helixtrans-59.7-44.3175.1-173.3-168.48.400112.6C137 A140 S297 V302 A303C137-Q299 PolarHBondContact SG-NE2 2.97Å; C137-Q299 VanDerWaalsContact SG-NE2 3.41Å; A140-Q299 HydrophobicContact CB-CB 4.46Å; A140-Q299 VanDerWaalsContact CB-OE1 3.22Å; S297-Q299 PolarHBondContact O-N 2.89Å; Q299-V302 PolarHBondContact O-N 2.99Å; Q299-A303 VanDerWaalsContact O-CB 3.29Å; Q299-A303 WeakPolarHBondContact O-CB 3.48Å; Q299-A303 PolarHBondContact O-N 3.45Å
300A84.1Confident82.4Confident43 Ų4351.7 Ų51.736%0.35530%0.301SS..Hα-helixtrans-67-38.2-178.800000112S297 F298 A303 T304S297-A300 PolarHBondContact O-N 3.16Å; S297-A300 VanDerWaalsContact OG-CB 3.29Å; S297-A300 WeakPolarHBondContact OG-CB 3.04Å; S297-A300 PolarHBondContact OG-N 3.09Å; F298-A300 PolarHBondContact O-N 3.32Å; A300-A303 PolarHBondContact O-N 3Å; A300-T304 PolarHBondContact O-N 3.33Å; A300-T304 PolarHBondContact O-OG1 3.21Å
301L82.3Confident82.5Confident26 Ų2650.3 Ų50.314%0.13631%0.305CS..Hα-helixtrans-65.1-44.2174.7-69.1172.9000111.6V168 D294 A296 S297 F298 T304 M305V168-L301 HydrophobicContact CG2-CB 4.14Å; D294-L301 HydrophobicContact CB-CD1 4.29Å; A296-L301 HydrophobicContact CB-CD2 3.88Å; A296-L301 HydrophobicContact CB-CG 3.91Å; S297-L301 PolarHBondContact O-N 3.36Å; F298-L301 PolarHBondContact O-N 3.49Å; L301-T304 WeakPolarHBondContact CA-OG1 3.49Å; L301-T304 PolarHBondContact O-N 2.99Å; L301-T304 PolarHBondContact O-OG1 2.84Å; L301-T304 VanDerWaalsContact O-OG1 3.07Å; L301-M305 WeakPolarHBondContact O-CB 3.26Å; L301-M305 PolarHBondContact O-N 3.47Å
302V84.1Confident83Confident1 Ų151.4 Ų51.41%0.00630%0.304CS..Hα-helixtrans-65.1-41.3176.3179.50000110.9L132 N133 V168 F298 Q299 M305 A306L132-V302 HydrophobicContact CB-CG1 4.05Å; N133-V302 HydrophobicContact CB-CG1 3.81Å; V168-V302 HydrophobicContact CG1-CB 4.45Å; V168-V302 HydrophobicContact CG1-CG2 3.45Å; V168-V302 VanDerWaalsContact CG1-CG2 3.45Å; F298-V302 HydrophobicContact CD1-CG2 4.19Å; F298-V302 HydrophobicContact CD2-CG2 4.3Å; F298-V302 HydrophobicContact CE1-CG2 3.85Å; F298-V302 HydrophobicContact CE2-CG2 3.96Å; F298-V302 HydrophobicContact CG-CG2 4.4Å; F298-V302 HydrophobicContact CZ-CG2 3.72Å; F298-V302 WeakPolarHBondContact O-CG2 3.35Å; F298-V302 PolarHBondContact O-N 3.03Å; Q299-V302 PolarHBondContact O-N 2.99Å; V302-M305 PolarHBondContact O-N 3.35Å; V302-A306 WeakPolarHBondContact O-CB 3.13Å; V302-A306 PolarHBondContact O-N 3.44Å
303A85.9Confident83.3Confident32 Ų3250.5 Ų50.526%0.26430%0.302SS..Hα-helixtrans-65-40.9178.800000112.2Q299 A300 A306 Q307Q299-A303 VanDerWaalsContact O-CB 3.29Å; Q299-A303 WeakPolarHBondContact O-CB 3.48Å; Q299-A303 PolarHBondContact O-N 3.45Å; A300-A303 PolarHBondContact O-N 3Å; A303-A306 PolarHBondContact O-N 2.95Å; A303-Q307 VanDerWaalsContact O-CG 3.3Å; A303-Q307 WeakPolarHBondContact O-CG 3.39Å; A303-Q307 PolarHBondContact O-N 3.22Å
304T87.2Confident83.8Confident63 Ų6353 Ų5339%0.38731%0.312SS..Hα-helixtrans-66.7-41.2174.328.80000111.7A300 L301 A306 Q307 Q308A300-T304 PolarHBondContact O-N 3.33Å; A300-T304 PolarHBondContact O-OG1 3.21Å; L301-T304 WeakPolarHBondContact CA-OG1 3.49Å; L301-T304 PolarHBondContact O-N 2.99Å; L301-T304 PolarHBondContact O-OG1 2.84Å; L301-T304 VanDerWaalsContact O-OG1 3.07Å; T304-A306 VanDerWaalsContact C-N 3.33Å; T304-A306 PolarHBondContact O-N 3.02Å; T304-Q307 PolarHBondContact O-N 3.4Å; T304-Q308 WeakPolarHBondContact O-CG 3.37Å; T304-Q308 PolarHBondContact O-N 3.07Å; T304-Q308 VanDerWaalsContact O-N 3.09Å
305M83.6Confident84.4Confident15 Ų1558.9 Ų58.97%0.07434%0.336CS..Hα-helixtrans-60.6-43.3173.8-176.9177.9124.400111.8I129 V168 L301 V302 Q308 N309I129-M305 HydrophobicContact CB-CE 4.43Å; I129-M305 HydrophobicContact CG1-CE 3.56Å; V168-M305 HydrophobicContact CB-SD 3.84Å; V168-M305 HydrophobicContact CG1-SD 4.24Å; V168-M305 HydrophobicContact CG2-CB 4.4Å; V168-M305 HydrophobicContact CG2-SD 3.83Å; L301-M305 WeakPolarHBondContact O-CB 3.26Å; L301-M305 PolarHBondContact O-N 3.47Å; V302-M305 PolarHBondContact O-N 3.35Å; M305-Q308 PolarHBondContact O-N 3.23Å; M305-N309 WeakPolarHBondContact O-CB 3.24Å; M305-N309 PolarHBondContact O-N 2.63Å
306A84.5Confident85Confident11 Ų1156 Ų569%0.09132%0.317CS..Hα-helixtrans-62.1-45.5176.800000111.2I129 V302 A303 T304 Q308 L310I129-A306 HydrophobicContact CG2-CB 3.7Å; V302-A306 WeakPolarHBondContact O-CB 3.13Å; V302-A306 PolarHBondContact O-N 3.44Å; A303-A306 PolarHBondContact O-N 2.95Å; T304-A306 VanDerWaalsContact C-N 3.33Å; T304-A306 PolarHBondContact O-N 3.02Å; A306-Q308 VanDerWaalsContact C-N 3.28Å; A306-Q308 PolarHBondContact O-N 2.91Å; A306-L310 WeakPolarHBondContact O-CB 3.28Å; A306-L310 PolarHBondContact O-N 3.41Å
307Q84.6Confident85.6Confident158 Ų15854.8 Ų54.874%0.73831%0.306SS*.Hα-helixtrans-61.6-34.5178.3-73.4173.42.600113.3A303 T304A303-Q307 VanDerWaalsContact O-CG 3.3Å; A303-Q307 WeakPolarHBondContact O-CG 3.39Å; A303-Q307 PolarHBondContact O-N 3.22Å; T304-Q307 PolarHBondContact O-N 3.4Å
308Q86.4Confident86Confident140 Ų14056.4 Ų56.465%0.65431%0.311SS*.Hα-helixtrans-83.2-42.9-177.3-69.2174.7-0.200113.1T304 M305 A306T304-Q308 WeakPolarHBondContact O-CG 3.37Å; T304-Q308 PolarHBondContact O-N 3.07Å; T304-Q308 VanDerWaalsContact O-N 3.09Å; M305-Q308 PolarHBondContact O-N 3.23Å; A306-Q308 VanDerWaalsContact C-N 3.28Å; A306-Q308 PolarHBondContact O-N 2.91Å
309N84.9Confident86.7Confident59 Ų5962.3 Ų62.332%0.31634%0.339SS..Hα-helixtrans-101.9-17.6-167.2-64.9-26.5000114I129 M305 S312 A313I129-N309 HydrophobicContact CD1-CB 3.88Å; M305-N309 WeakPolarHBondContact O-CB 3.24Å; M305-N309 PolarHBondContact O-N 2.63Å; N309-S312 PolarHBondContact O-N 3.24Å; N309-S312 PolarHBondContact O-OG 2.94Å; N309-A313 WeakPolarHBondContact O-CB 3.46Å; N309-A313 PolarHBondContact O-N 3.25Å; N309-A313 VanDerWaalsContact O-N 3.14Å
310L85.8Confident87Confident36 Ų3663.1 Ų63.119%0.18834%0.342CS..Hα-helixtrans-67-43.7-175.9-169.472.2000111.6I129 L130 A306 S312 A313 E314I129-L310 HydrophobicContact CG2-CD1 4.35Å; L130-L310 HydrophobicContact CD2-CD1 4.27Å; L130-L310 HydrophobicContact CG-CD1 4.2Å; A306-L310 WeakPolarHBondContact O-CB 3.28Å; A306-L310 PolarHBondContact O-N 3.41Å; L310-S312 VanDerWaalsContact C-N 3.26Å; L310-S312 PolarHBondContact O-N 3.49Å; L310-A313 PolarHBondContact O-N 3.06Å; L310-A313 VanDerWaalsContact O-N 3.13Å; L310-E314 WeakPolarHBondContact CD2-OE1 3.36Å; L310-E314 HydrophobicContact CG-CG 4.22Å; L310-E314 WeakPolarHBondContact CG-OE1 3.42Å; L310-E314 VanDerWaalsContact O-CG 3.29Å; L310-E314 WeakPolarHBondContact O-CG 3.36Å; L310-E314 PolarHBondContact O-N 3.37Å
311A86.3Confident87.4Confident59 Ų5962.6 Ų62.649%0.48833%0.332SS..Hα-helixtrans-65.6-26.4-178.200000113.9
312S88Confident87.9Confident74 Ų7466.2 Ų66.252%0.51735%0.348SS..Hα-helixtrans-81.6-35.817459.80000111.7N309 L310 P316N309-S312 PolarHBondContact O-N 3.24Å; N309-S312 PolarHBondContact O-OG 2.94Å; L310-S312 VanDerWaalsContact C-N 3.26Å; L310-S312 PolarHBondContact O-N 3.49Å; S312-P316 WeakPolarHBondContact O-CD 3.44Å
313A85.6Confident88.4Confident11 Ų1169.9 Ų69.99%0.09137%0.374CS..Hα-helixtrans-71.6-34.2176.800000113.3P125 N309 L310 K315 P316P125-A313 HydrophobicContact CB-CB 4.43Å; N309-A313 WeakPolarHBondContact O-CB 3.46Å; N309-A313 PolarHBondContact O-N 3.25Å; N309-A313 VanDerWaalsContact O-N 3.14Å; L310-A313 PolarHBondContact O-N 3.06Å; L310-A313 VanDerWaalsContact O-N 3.13Å; A313-K315 VanDerWaalsContact C-N 3.34Å; A313-K315 PolarHBondContact O-N 3.49Å; A313-P316 VanDerWaalsContact O-CD 3.22Å; A313-P316 WeakPolarHBondContact O-CD 3.46Å; A313-P316 VanDerWaalsContact O-CG 3.27Å; A313-P316 WeakPolarHBondContact O-CG 3.42Å
314E89.4Confident88.7Confident88 Ų8872.8 Ų72.841%0.41138%0.378SS..Hα-helixtrans-66-31.9-178-77.2173.5174.600113.7L310 D317 I318L310-E314 WeakPolarHBondContact CD2-OE1 3.36Å; L310-E314 HydrophobicContact CG-CG 4.22Å; L310-E314 WeakPolarHBondContact CG-OE1 3.42Å; L310-E314 VanDerWaalsContact O-CG 3.29Å; L310-E314 WeakPolarHBondContact O-CG 3.36Å; L310-E314 PolarHBondContact O-N 3.37Å; E314-D317 PolarHBondContact O-N 3.2Å; E314-I318 HydrophobicContact CB-CD1 4.41Å; E314-I318 WeakPolarHBondContact O-CB 3.45Å; E314-I318 WeakPolarHBondContact O-CD1 3.18Å; E314-I318 WeakPolarHBondContact O-CG1 3.33Å; E314-I318 PolarHBondContact O-N 3.21Å
315K89.5Confident88.9Confident144 Ų14472.4 Ų72.463%0.62637%0.373SS*.Hα-helixtrans-60.4-57.3-177.7-66.3177.9-173.9177.50113A313 D317 I318 E319A313-K315 VanDerWaalsContact C-N 3.34Å; A313-K315 PolarHBondContact O-N 3.49Å; K315-D317 VanDerWaalsContact C-N 3.25Å; K315-D317 PolarHBondContact O-N 3.37Å; K315-I318 PolarHBondContact O-N 3.05Å; K315-E319 PolarHBondContact O-N 3.45Å
316P90.6Very high89.4Confident56 Ų5678.8 Ų78.836%0.36440%0.401SS..Hα-helixtrans-62.9-34.2177.425.6-35.1000112S312 A313 I318 E319 Q320S312-P316 WeakPolarHBondContact O-CD 3.44Å; A313-P316 VanDerWaalsContact O-CD 3.22Å; A313-P316 WeakPolarHBondContact O-CD 3.46Å; A313-P316 VanDerWaalsContact O-CG 3.27Å; A313-P316 WeakPolarHBondContact O-CG 3.42Å; P316-I318 PolarHBondContact O-N 3.44Å; P316-E319 PolarHBondContact O-N 2.82Å; P316-Q320 WeakPolarHBondContact O-CG 3.21Å; P316-Q320 PolarHBondContact O-N 3.34Å
317D89.9Confident89.9Confident11 Ų1180.4 Ų80.46%0.05941%0.413CS..Hα-helixtrans-63.6-42.6178.5-66.7-6.7000111.6S126 E314 K315 Q320 Y321S126-D317 WeakPolarHBondContact CB-OD2 3.42Å; S126-D317 PolarHBondContact OG-OD2 3.5Å; E314-D317 PolarHBondContact O-N 3.2Å; K315-D317 VanDerWaalsContact C-N 3.25Å; K315-D317 PolarHBondContact O-N 3.37Å; D317-Q320 PolarHBondContact O-N 3.04Å; D317-Y321 VanDerWaalsContact O-CB 3.24Å; D317-Y321 WeakPolarHBondContact O-CB 3.5Å; D317-Y321 PolarHBondContact O-N 2.89Å
318I91.1Very high90.4Very high74 Ų7474.2 Ų74.238%0.37938%0.383SS..Hα-helixtrans-63.9-41.5176.2-69.5163.2000110.7E314 K315 P316 Y321 Q322E314-I318 HydrophobicContact CB-CD1 4.41Å; E314-I318 WeakPolarHBondContact O-CB 3.45Å; E314-I318 WeakPolarHBondContact O-CD1 3.18Å; E314-I318 WeakPolarHBondContact O-CG1 3.33Å; E314-I318 PolarHBondContact O-N 3.21Å; K315-I318 PolarHBondContact O-N 3.05Å; P316-I318 PolarHBondContact O-N 3.44Å; I318-Y321 PolarHBondContact O-N 3.08Å; I318-Q322 HydrophobicContact CG2-CG 4.41Å; I318-Q322 WeakPolarHBondContact O-CB 3.28Å; I318-Q322 VanDerWaalsContact O-CG 3.27Å; I318-Q322 WeakPolarHBondContact O-CG 3.35Å; I318-Q322 PolarHBondContact O-N 3.1Å
319E92.1Very high90.7Very high133 Ų13372.3 Ų72.362%0.62137%0.374SS*.Hα-helixtrans-63.6-45.9177.6-71177.2-176.700111.8K315 P316 Y321 Q322 S323K315-E319 PolarHBondContact O-N 3.45Å; P316-E319 PolarHBondContact O-N 2.82Å; E319-Y321 VanDerWaalsContact C-N 3.34Å; E319-Y321 PolarHBondContact O-N 2.64Å; E319-Q322 PolarHBondContact O-N 3.26Å; E319-S323 PolarHBondContact O-N 2.91Å
320Q91.1Very high91.2Very high91 Ų9172.2 Ų72.243%0.42538%0.382SS..Hα-helixtrans-60.8-45175.2-71.6-176.123.700111.2P316 D317 Q322 S323 R324P316-Q320 WeakPolarHBondContact O-CG 3.21Å; P316-Q320 PolarHBondContact O-N 3.34Å; D317-Q320 PolarHBondContact O-N 3.04Å; Q320-Q322 PolarHBondContact O-N 2.94Å; Q320-S323 WeakPolarHBondContact O-CB 3.2Å; Q320-S323 PolarHBondContact O-N 3.13Å; Q320-R324 WeakPolarHBondContact O-CG 3.02Å; Q320-R324 PolarHBondContact O-N 3.37Å
321Y91.9Very high91.5Very high33 Ų3374.8 Ų74.813%0.12939%0.393CS..Hα-helixtrans-61.8-43.8178.1174.5-107.7000112.2H59 R63 F91 D317 I318 E319 S323 R324 L325H59-Y321 AromaticContact CE1-CE2 3.61Å; H59-Y321 AromaticContact CE1-CZ 3.99Å; H59-Y321 AromaticContact NE2-CE2 3.61Å; H59-Y321 AromaticContact NE2-CZ 3.65Å; H59-Y321 PolarHBondContact NE2-OH 3.36Å; R63-Y321 PolarHBondContact NH2-OH 3.5Å; F91-Y321 HydrophobicContact CD1-CD1 4.44Å; F91-Y321 AromaticContact CD1-CD2 3.45Å; F91-Y321 HydrophobicContact CD1-CD2 3.45Å; F91-Y321 VanDerWaalsContact CD1-CD2 3.45Å; F91-Y321 AromaticContact CD1-CE2 3.69Å; F91-Y321 HydrophobicContact CD1-CE2 3.69Å; F91-Y321 AromaticContact CD1-CG 3.87Å; F91-Y321 HydrophobicContact CD1-CG 3.87Å; F91-Y321 HydrophobicContact CD2-CG 4.48Å; F91-Y321 AromaticContact CE1-CD1 3.86Å; F91-Y321 HydrophobicContact CE1-CD1 3.86Å; F91-Y321 AromaticContact CE1-CD2 3.69Å; F91-Y321 HydrophobicContact CE1-CD2 3.69Å; F91-Y321 AromaticContact CE1-CE1 3.92Å; F91-Y321 HydrophobicContact CE1-CE1 3.92Å; F91-Y321 AromaticContact CE1-CE2 3.76Å; F91-Y321 HydrophobicContact CE1-CE2 3.76Å; F91-Y321 AromaticContact CE1-CG 3.75Å; F91-Y321 HydrophobicContact CE1-CG 3.75Å; F91-Y321 AromaticContact CE1-CZ 3.88Å; F91-Y321 HydrophobicContact CE2-CG 4.38Å; F91-Y321 AromaticContact CG-CD2 3.99Å; F91-Y321 HydrophobicContact CG-CD2 3.99Å; F91-Y321 HydrophobicContact CG-CG 4.24Å; F91-Y321 AromaticContact CZ-CD1 3.98Å; F91-Y321 HydrophobicContact CZ-CD1 3.98Å; F91-Y321 HydrophobicContact CZ-CD2 4.41Å; F91-Y321 HydrophobicContact CZ-CE1 4.34Å; F91-Y321 HydrophobicContact CZ-CG 4.02Å; D317-Y321 VanDerWaalsContact O-CB 3.24Å; D317-Y321 WeakPolarHBondContact O-CB 3.5Å; D317-Y321 PolarHBondContact O-N 2.89Å; I318-Y321 PolarHBondContact O-N 3.08Å; E319-Y321 VanDerWaalsContact C-N 3.34Å; E319-Y321 PolarHBondContact O-N 2.64Å; Y321-S323 VanDerWaalsContact C-N 3.31Å; Y321-S323 PolarHBondContact O-N 3.45Å; Y321-R324 PolarHBondContact O-N 3.13Å; Y321-L325 HydrophobicContact CD1-CD1 4.12Å; Y321-L325 HydrophobicContact CD1-CG 4.45Å; Y321-L325 HydrophobicContact CE1-CD1 3.43Å; Y321-L325 VanDerWaalsContact CE1-CD1 3.43Å; Y321-L325 HydrophobicContact CE1-CG 3.96Å; Y321-L325 HydrophobicContact CE2-CD1 4.36Å; Y321-L325 HydrophobicContact CE2-CD2 4.02Å; Y321-L325 HydrophobicContact CE2-CG 4.02Å; Y321-L325 WeakPolarHBondContact O-CG 3.21Å; Y321-L325 PolarHBondContact O-N 2.74Å
322Q93.1Very high91.8Very high101 Ų10174.7 Ų74.747%0.47238%0.382SS..Hα-helixtrans-62.2-37.8175.9-74.417815.200112.6I318 E319 Q320 K326I318-Q322 HydrophobicContact CG2-CG 4.41Å; I318-Q322 WeakPolarHBondContact O-CB 3.28Å; I318-Q322 VanDerWaalsContact O-CG 3.27Å; I318-Q322 WeakPolarHBondContact O-CG 3.35Å; I318-Q322 PolarHBondContact O-N 3.1Å; E319-Q322 PolarHBondContact O-N 3.26Å; Q320-Q322 PolarHBondContact O-N 2.94Å; Q322-K326 WeakPolarHBondContact O-CG 3.49Å; Q322-K326 PolarHBondContact O-N 3.38Å
323S94.3Very high92Very high79 Ų7979 Ų7955%0.55239%0.387SS*.Hα-helixtrans-64.6-46.6174.2-171.60000111.4E319 Q320 Y321 L325 K326 A327E319-S323 PolarHBondContact O-N 2.91Å; Q320-S323 WeakPolarHBondContact O-CB 3.2Å; Q320-S323 PolarHBondContact O-N 3.13Å; Y321-S323 VanDerWaalsContact C-N 3.31Å; Y321-S323 PolarHBondContact O-N 3.45Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-L325 PolarHBondContact O-N 2.91Å; S323-K326 PolarHBondContact O-N 2.89Å; S323-A327 PolarHBondContact O-N 3.48Å; S323-A327 VanDerWaalsContact O-N 3.08Å
324R92.6Very high92.5Very high92 Ų9284.9 Ų84.935%0.34741%0.41SS..Hα-helixtrans-59.4-42.4176.4-71.8-176.4-171.6-1736.6112.2D89 Q320 Y321 K326 A327 W328D89-R324 IonicContact OD2-NH1 3.53Å; D89-R324 PolarHBondContact OD2-NH1 3.27Å; Q320-R324 WeakPolarHBondContact O-CG 3.02Å; Q320-R324 PolarHBondContact O-N 3.37Å; Y321-R324 PolarHBondContact O-N 3.13Å; R324-K326 VanDerWaalsContact C-N 3.34Å; R324-K326 PolarHBondContact O-N 3.5Å; R324-A327 WeakPolarHBondContact O-CB 3.4Å; R324-A327 PolarHBondContact O-N 2.95Å; R324-A327 VanDerWaalsContact O-N 3.15Å; R324-W328 VanDerWaalsContact O-CG 3.3Å; R324-W328 PolarHBondContact O-N 3.12Å
325L92.4Very high92.6Very high55 Ų5582.1 Ų82.129%0.28840%0.399SS..Hα-helixtrans-58-44.6175.9-76.1-176.9000112.5Y321 S323 A327 W328 E329Y321-L325 HydrophobicContact CD1-CD1 4.12Å; Y321-L325 HydrophobicContact CD1-CG 4.45Å; Y321-L325 HydrophobicContact CE1-CD1 3.43Å; Y321-L325 VanDerWaalsContact CE1-CD1 3.43Å; Y321-L325 HydrophobicContact CE1-CG 3.96Å; Y321-L325 HydrophobicContact CE2-CD1 4.36Å; Y321-L325 HydrophobicContact CE2-CD2 4.02Å; Y321-L325 HydrophobicContact CE2-CG 4.02Å; Y321-L325 WeakPolarHBondContact O-CG 3.21Å; Y321-L325 PolarHBondContact O-N 2.74Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-L325 PolarHBondContact O-N 2.91Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 3.36Å; L325-W328 HydrophobicContact CD2-CE3 3.75Å; L325-W328 HydrophobicContact CD2-CZ3 3.9Å; L325-W328 PolarHBondContact O-N 3.46Å; L325-E329 WeakPolarHBondContact O-CG 3.2Å; L325-E329 PolarHBondContact O-N 3.05Å
326K94.2Very high92.8Very high150 Ų15077.4 Ų77.465%0.65238%0.38SS*.Hα-helixtrans-63-39.9176.9-69172.6-175.8172.70111.6Q322 S323 R324 E329 A330Q322-K326 WeakPolarHBondContact O-CG 3.49Å; Q322-K326 PolarHBondContact O-N 3.38Å; S323-K326 PolarHBondContact O-N 2.89Å; R324-K326 VanDerWaalsContact C-N 3.34Å; R324-K326 PolarHBondContact O-N 3.5Å; K326-E329 PolarHBondContact O-N 3.39Å; K326-A330 PolarHBondContact O-N 3.38Å
327A95.1Very high93Very high44 Ų4480 Ų8036%0.36439%0.387SS..Hα-helixtrans-63.9-47.617600000111.7S323 R324 L325 E329 A330 E331S323-A327 PolarHBondContact O-N 3.48Å; S323-A327 VanDerWaalsContact O-N 3.08Å; R324-A327 WeakPolarHBondContact O-CB 3.4Å; R324-A327 PolarHBondContact O-N 2.95Å; R324-A327 VanDerWaalsContact O-N 3.15Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 3.36Å; A327-E329 VanDerWaalsContact C-N 3.32Å; A327-E329 PolarHBondContact O-N 3.2Å; A327-A330 WeakPolarHBondContact O-CB 3.2Å; A327-A330 PolarHBondContact O-N 2.87Å; A327-A330 VanDerWaalsContact O-N 3.12Å; A327-E331 PolarHBondContact O-N 3.27Å
328W94.1Very high93.2Very high28 Ų2885.8 Ų85.811%0.10641%0.408CS..Hα-helixtrans-60.2-40.4176.8-66.1-16.3000112.4D55 W56 H59 R324 L325 E331 K332D55-W328 HydrophobicContact CB-CZ2 3.92Å; W56-W328 HydrophobicContact CB-CB 4.17Å; W56-W328 HydrophobicContact CB-CD2 3.74Å; W56-W328 HydrophobicContact CB-CE3 3.63Å; W56-W328 HydrophobicContact CB-CG 3.99Å; W56-W328 HydrophobicContact CB-CZ3 4.25Å; W56-W328 HydrophobicContact CD2-CB 4.45Å; W56-W328 HydrophobicContact CE3-CB 3.92Å; W56-W328 AromaticContact CE3-CD1 3.81Å; W56-W328 AromaticContact CE3-CG 3.86Å; W56-W328 HydrophobicContact CE3-CG 3.86Å; H59-W328 HydrophobicContact CB-CH2 4.12Å; H59-W328 HydrophobicContact CB-CZ3 4.03Å; H59-W328 AromaticContact CD2-CZ3 3.99Å; H59-W328 AromaticContact CG-CZ3 3.94Å; R324-W328 VanDerWaalsContact O-CG 3.3Å; R324-W328 PolarHBondContact O-N 3.12Å; L325-W328 HydrophobicContact CD2-CE3 3.75Å; L325-W328 HydrophobicContact CD2-CZ3 3.9Å; L325-W328 PolarHBondContact O-N 3.46Å; W328-E331 PolarHBondContact O-N 3.15Å; W328-K332 WeakPolarHBondContact O-CB 3.48Å; W328-K332 PolarHBondContact O-N 3.08Å
329E92.7Very high93.3Very high100 Ų10083.8 Ų83.847%0.46740%0.397SS..Hα-helixtrans-63-42.3174.3-77.4-173-160.100112.4L325 K326 A327 K332 R333L325-E329 WeakPolarHBondContact O-CG 3.2Å; L325-E329 PolarHBondContact O-N 3.05Å; K326-E329 PolarHBondContact O-N 3.39Å; A327-E329 VanDerWaalsContact C-N 3.32Å; A327-E329 PolarHBondContact O-N 3.2Å; E329-K332 PolarHBondContact O-N 2.83Å; E329-R333 WeakPolarHBondContact O-CB 3.38Å; E329-R333 WeakPolarHBondContact O-CG 3.46Å; E329-R333 PolarHBondContact O-N 3.3Å; E329-R333 IonicContact OE2-CZ 3.69Å; E329-R333 IonicContact OE2-NH2 2.81Å; E329-R333 PolarHBondContact OE2-NH2 3.28Å
330A94.5Very high93.4Very high58 Ų5883.5 Ų83.548%0.47939%0.394SS..Hα-helixtrans-63.8-46.5177.900000111.4K326 A327 K332 R333 F334K326-A330 PolarHBondContact O-N 3.38Å; A327-A330 WeakPolarHBondContact O-CB 3.2Å; A327-A330 PolarHBondContact O-N 2.87Å; A327-A330 VanDerWaalsContact O-N 3.12Å; A330-K332 PolarHBondContact O-N 2.71Å; A330-R333 PolarHBondContact O-N 2.97Å; A330-F334 PolarHBondContact O-N 2.93Å
331E93.9Very high93.6Very high90 Ų9083.1 Ų83.142%0.42139%0.392SS..Hα-helixtrans-61.8-44.2176.1-72.8-175.1-163.500112W56 A327 W328 R333 F334 L335W56-E331 HydrophobicContact CH2-CB 4.2Å; W56-E331 HydrophobicContact CZ3-CB 4.07Å; W56-E331 WeakPolarHBondContact CZ3-OE2 3.46Å; A327-E331 PolarHBondContact O-N 3.27Å; W328-E331 PolarHBondContact O-N 3.15Å; E331-R333 VanDerWaalsContact C-N 3.35Å; E331-R333 PolarHBondContact O-N 3.43Å; E331-F334 PolarHBondContact O-N 3.45Å; E331-L335 WeakPolarHBondContact O-CB 3.45Å; E331-L335 VanDerWaalsContact O-CG 3.32Å; E331-L335 WeakPolarHBondContact O-CG 3.36Å; E331-L335 PolarHBondContact O-N 3.4Å
332K91.8Very high93.7Very high56 Ų5686.6 Ų86.624%0.24341%0.409CS..Hα-helixtrans-59.9-44.8175.9-172.9176.6-174.7174.90111D26 W328 E329 A330 L335 I336D26-K332 IonicContact OD2-NZ 2.87Å; D26-K332 PolarHBondContact OD2-NZ 3.46Å; W328-K332 WeakPolarHBondContact O-CB 3.48Å; W328-K332 PolarHBondContact O-N 3.08Å; E329-K332 PolarHBondContact O-N 2.83Å; A330-K332 PolarHBondContact O-N 2.71Å; K332-L335 PolarHBondContact O-N 2.96Å; K332-I336 HydrophobicContact CG-CD1 3.98Å; K332-I336 WeakPolarHBondContact O-CB 3.48Å; K332-I336 WeakPolarHBondContact O-CD1 3.42Å; K332-I336 WeakPolarHBondContact O-CG1 3.46Å; K332-I336 PolarHBondContact O-N 2.94Å
333R92.8Very high93.6Very high165 Ų16587.2 Ų87.262%0.62341%0.41SS*.Hα-helixtrans-61.4-44.7176.4-72.1171.3-158.2-171.88.4111.6E329 A330 E331 I336 Q337E329-R333 WeakPolarHBondContact O-CB 3.38Å; E329-R333 WeakPolarHBondContact O-CG 3.46Å; E329-R333 PolarHBondContact O-N 3.3Å; E329-R333 IonicContact OE2-CZ 3.69Å; E329-R333 IonicContact OE2-NH2 2.81Å; E329-R333 PolarHBondContact OE2-NH2 3.28Å; A330-R333 PolarHBondContact O-N 2.97Å; E331-R333 VanDerWaalsContact C-N 3.35Å; E331-R333 PolarHBondContact O-N 3.43Å; R333-I336 PolarHBondContact O-N 3.5Å; R333-Q337 PolarHBondContact O-N 2.94Å
334F94.9Very high93.7Very high134 Ų13488.9 Ų88.959%0.58841%0.41SS*.Hα-helixtrans-60.1-46.8177.1175.6-102.3000112.1A330 E331 I336 Q337 R338A330-F334 PolarHBondContact O-N 2.93Å; E331-F334 PolarHBondContact O-N 3.45Å; F334-I336 VanDerWaalsContact C-N 3.33Å; F334-I336 PolarHBondContact O-N 3.46Å; F334-Q337 PolarHBondContact O-N 2.93Å; F334-R338 PolarHBondContact O-N 3.06Å
335L92.6Very high93.8Very high31 Ų3190.4 Ų90.416%0.16242%0.419CS..Hα-helixtrans-64.8-37178.4-71.4176.4000112.3L19 W56 E331 K332 R338 E339L19-L335 HydrophobicContact CD1-CB 3.74Å; L19-L335 HydrophobicContact CD2-CB 3.73Å; L19-L335 HydrophobicContact CD2-CD1 3.91Å; L19-L335 HydrophobicContact CD2-CG 4.5Å; L19-L335 HydrophobicContact CG-CB 4.11Å; W56-L335 HydrophobicContact CH2-CD1 4.02Å; W56-L335 HydrophobicContact CZ2-CD1 4.25Å; E331-L335 WeakPolarHBondContact O-CB 3.45Å; E331-L335 VanDerWaalsContact O-CG 3.32Å; E331-L335 WeakPolarHBondContact O-CG 3.36Å; E331-L335 PolarHBondContact O-N 3.4Å; K332-L335 PolarHBondContact O-N 2.96Å; L335-R338 PolarHBondContact O-N 2.91Å; L335-E339 WeakPolarHBondContact O-CB 3.35Å; L335-E339 PolarHBondContact O-N 3.27Å
336I93.3Very high93.9Very high45 Ų4590.5 Ų90.523%0.23143%0.427CS..Hα-helixtrans-64.5-42173.7-68165.9000110.9K332 R333 F334 E339 K340K332-I336 HydrophobicContact CG-CD1 3.98Å; K332-I336 WeakPolarHBondContact O-CB 3.48Å; K332-I336 WeakPolarHBondContact O-CD1 3.42Å; K332-I336 WeakPolarHBondContact O-CG1 3.46Å; K332-I336 PolarHBondContact O-N 2.94Å; R333-I336 PolarHBondContact O-N 3.5Å; F334-I336 VanDerWaalsContact C-N 3.33Å; F334-I336 PolarHBondContact O-N 3.46Å; I336-E339 PolarHBondContact O-N 2.95Å; I336-K340 WeakPolarHBondContact O-CG 3.32Å; I336-K340 PolarHBondContact O-N 3.3Å
337Q94.9Very high93.9Very high109 Ų10988.4 Ų88.451%0.50942%0.42SS..Hα-helixtrans-62.9-46.8176.8-179.2175.7-10.800111R333 F334 E339 K340 E341R333-Q337 PolarHBondContact O-N 2.94Å; F334-Q337 PolarHBondContact O-N 2.93Å; Q337-E339 VanDerWaalsContact C-N 3.3Å; Q337-E339 PolarHBondContact O-N 3.5Å; Q337-K340 WeakPolarHBondContact O-CB 3.43Å; Q337-K340 PolarHBondContact O-N 2.91Å; Q337-K340 VanDerWaalsContact O-N 3.07Å; Q337-E341 HydrophobicContact CG-CG 4.48Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.49Å; Q337-E341 PolarHBondContact NE2-OE1 3.03Å; Q337-E341 WeakPolarHBondContact O-CG 3.14Å; Q337-E341 PolarHBondContact O-N 3.34Å
338R94.8Very high93.8Very high134 Ų13491.6 Ų91.651%0.50643%0.427SS..Hα-helixtrans-57.7-41.7175.1-177.1-179.3173.3-176.41.2112.3F334 L335 K340 E341 Q342F334-R338 PolarHBondContact O-N 3.06Å; L335-R338 PolarHBondContact O-N 2.91Å; R338-K340 VanDerWaalsContact C-N 3.33Å; R338-K340 PolarHBondContact O-N 3.07Å; R338-E341 PolarHBondContact O-N 3.35Å; R338-Q342 WeakPolarHBondContact O-CB 3.5Å; R338-Q342 VanDerWaalsContact O-CG 3.26Å; R338-Q342 WeakPolarHBondContact O-CG 3.47Å; R338-Q342 PolarHBondContact O-N 3.1Å
339E93.4Very high93.8Very high32 Ų3294.9 Ų94.915%0.1544%0.443CS..Hα-helixtrans-62-40176.1-169.6-167.4169.300111.6L19 R23 L335 I336 Q337 K343L19-E339 HydrophobicContact CD1-CB 4.44Å; R23-E339 IonicContact CZ-OE2 3.18Å; R23-E339 VanDerWaalsContact CZ-OE2 3.26Å; R23-E339 IonicContact NH1-OE1 3.13Å; R23-E339 PolarHBondContact NH1-OE1 2.97Å; R23-E339 IonicContact NH1-OE2 2.78Å; R23-E339 PolarHBondContact NH1-OE2 3.04Å; R23-E339 IonicContact NH2-OE2 2.79Å; R23-E339 PolarHBondContact NH2-OE2 3.5Å; L335-E339 WeakPolarHBondContact O-CB 3.35Å; L335-E339 PolarHBondContact O-N 3.27Å; I336-E339 PolarHBondContact O-N 2.95Å; Q337-E339 VanDerWaalsContact C-N 3.3Å; Q337-E339 PolarHBondContact O-N 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.45Å; E339-K343 PolarHBondContact O-N 2.93Å; E339-K343 VanDerWaalsContact O-N 3.1Å; E339-K343 WeakPolarHBondContact OE1-CE 3.36Å; E339-K343 IonicContact OE1-NZ 3.71Å; E339-K343 PolarHBondContact OE1-NZ 3.23Å
340K93.9Very high93.9Very high127 Ų12796.9 Ų96.955%0.55245%0.451SS*.Hα-helixtrans-66.1-49.5177.1-72177.7179.5-175.50111.8I336 Q337 R338 Q342 K343 E344I336-K340 WeakPolarHBondContact O-CG 3.32Å; I336-K340 PolarHBondContact O-N 3.3Å; Q337-K340 WeakPolarHBondContact O-CB 3.43Å; Q337-K340 PolarHBondContact O-N 2.91Å; Q337-K340 VanDerWaalsContact O-N 3.07Å; R338-K340 VanDerWaalsContact C-N 3.33Å; R338-K340 PolarHBondContact O-N 3.07Å; K340-Q342 VanDerWaalsContact C-N 3.26Å; K340-Q342 PolarHBondContact O-N 3.06Å; K340-K343 WeakPolarHBondContact O-CB 3.44Å; K340-K343 PolarHBondContact O-N 3.2Å; K340-E344 WeakPolarHBondContact O-CG 3.26Å; K340-E344 PolarHBondContact O-N 3.48Å
341E95.6Very high93.9Very high82 Ų82102 Ų10238%0.38346%0.458SS..Hα-helixtrans-59-38.9178.6-69.4172.3-170.400111.7Q337 R338 K345Q337-E341 HydrophobicContact CG-CG 4.48Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.49Å; Q337-E341 PolarHBondContact NE2-OE1 3.03Å; Q337-E341 WeakPolarHBondContact O-CG 3.14Å; Q337-E341 PolarHBondContact O-N 3.34Å; R338-E341 PolarHBondContact O-N 3.35Å; E341-K345 WeakPolarHBondContact O-CB 3.45Å; E341-K345 VanDerWaalsContact O-CG 3.3Å; E341-K345 WeakPolarHBondContact O-CG 3.3Å; E341-K345 PolarHBondContact O-N 2.98Å
342Q92.9Very high93.9Very high107 Ų107103.9 Ų103.950%0.547%0.466SS..Hα-helixtrans-66.2-39.6175.2-75.2178.2-16.900112.6R338 K340 A346R338-Q342 WeakPolarHBondContact O-CB 3.5Å; R338-Q342 VanDerWaalsContact O-CG 3.26Å; R338-Q342 WeakPolarHBondContact O-CG 3.47Å; R338-Q342 PolarHBondContact O-N 3.1Å; K340-Q342 VanDerWaalsContact C-N 3.26Å; K340-Q342 PolarHBondContact O-N 3.06Å; Q342-A346 WeakPolarHBondContact O-CB 3.37Å; Q342-A346 PolarHBondContact O-N 2.91Å
343K91.9Very high93.9Very high113 Ų113109 Ų10949%0.49148%0.484SS..Hα-helixtrans-65.8-43.8175.7-75175.7-175.1171.20111.7E339 K340 A346 E347E339-K343 WeakPolarHBondContact O-CG 3.45Å; E339-K343 PolarHBondContact O-N 2.93Å; E339-K343 VanDerWaalsContact O-N 3.1Å; E339-K343 WeakPolarHBondContact OE1-CE 3.36Å; E339-K343 IonicContact OE1-NZ 3.71Å; E339-K343 PolarHBondContact OE1-NZ 3.23Å; K340-K343 WeakPolarHBondContact O-CB 3.44Å; K340-K343 PolarHBondContact O-N 3.2Å; K343-A346 PolarHBondContact O-N 3.27Å; K343-E347 WeakPolarHBondContact O-CG 3.36Å; K343-E347 PolarHBondContact O-N 3.5Å
344E94.9Very high94Very high115 Ų115105.7 Ų105.754%0.53748%0.478SS..Hα-helixtrans-61.8-45.2177.9-72.2173.6-171.700111.8K340 A346 E347 Q348K340-E344 WeakPolarHBondContact O-CG 3.26Å; K340-E344 PolarHBondContact O-N 3.48Å; E344-A346 PolarHBondContact O-N 3.29Å; E344-E347 PolarHBondContact O-N 3.02Å; E344-Q348 WeakPolarHBondContact O-CG 3.29Å; E344-Q348 PolarHBondContact O-N 3.31Å
345K95.6Very high93.9Very high124 Ų124102.2 Ų102.254%0.53947%0.474SS..Hα-helixtrans-60.1-46174.2-73.1175.5-177.7179.50112E341 E347 Q348 E349E341-K345 WeakPolarHBondContact O-CB 3.45Å; E341-K345 VanDerWaalsContact O-CG 3.3Å; E341-K345 WeakPolarHBondContact O-CG 3.3Å; E341-K345 PolarHBondContact O-N 2.98Å; K345-E347 VanDerWaalsContact C-N 3.3Å; K345-E347 PolarHBondContact O-N 2.95Å; K345-Q348 PolarHBondContact O-N 3.03Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 3.37Å
346A93.4Very high93.8Very high56 Ų56103.7 Ų103.746%0.46349%0.491SS..Hα-helixtrans-63.6-34.8178.100000112.7Q342 K343 E344 K350Q342-A346 WeakPolarHBondContact O-CB 3.37Å; Q342-A346 PolarHBondContact O-N 2.91Å; K343-A346 PolarHBondContact O-N 3.27Å; E344-A346 PolarHBondContact O-N 3.29Å; A346-K350 VanDerWaalsContact O-CB 3.29Å; A346-K350 WeakPolarHBondContact O-CB 3.26Å; A346-K350 PolarHBondContact O-N 2.97Å
347E93.9Very high93.7Very high106 Ų106109.8 Ų109.850%0.49551%0.511SS..Hα-helixtrans-68.1-41.9173.9-77.2-171.8-163.600112.5K343 E344 K345 K350 R351K343-E347 WeakPolarHBondContact O-CG 3.36Å; K343-E347 PolarHBondContact O-N 3.5Å; E344-E347 PolarHBondContact O-N 3.02Å; K345-E347 VanDerWaalsContact C-N 3.3Å; K345-E347 PolarHBondContact O-N 2.95Å; E347-K350 PolarHBondContact O-N 3.03Å; E347-R351 VanDerWaalsContact O-CG 3.3Å; E347-R351 WeakPolarHBondContact O-CG 3.48Å; E347-R351 PolarHBondContact O-N 2.89Å; E347-R351 IonicContact OE2-NH2 3.42Å; E347-R351 PolarHBondContact OE2-NH2 3.05Å
348Q94.5Very high93.5Very high111 Ų111107.3 Ų107.352%0.51951%0.51SS..Hα-helixtrans-61.1-51.3175.6-71.9171.9-3.500110.8E344 K345 K350 R351 E352E344-Q348 WeakPolarHBondContact O-CG 3.29Å; E344-Q348 PolarHBondContact O-N 3.31Å; K345-Q348 PolarHBondContact O-N 3.03Å; Q348-K350 VanDerWaalsContact C-N 3.26Å; Q348-K350 PolarHBondContact O-N 3.29Å; Q348-R351 WeakPolarHBondContact O-CB 3.44Å; Q348-R351 PolarHBondContact O-N 3.27Å; Q348-E352 WeakPolarHBondContact O-CG 3.31Å; Q348-E352 PolarHBondContact O-N 3.4Å
349E94.3Very high93.2Very high97 Ų97104.3 Ų104.345%0.45351%0.514SS..Hα-helixtrans-58.1-39.1176.6-72.3-179.7-162.600112.2K345 E352 R353K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 3.37Å; E349-E352 PolarHBondContact O-N 3.47Å; E349-R353 WeakPolarHBondContact O-CB 3.47Å; E349-R353 VanDerWaalsContact O-CG 3.26Å; E349-R353 WeakPolarHBondContact O-CG 3.44Å; E349-R353 PolarHBondContact O-N 2.94Å; E349-R353 IonicContact OE2-NH2 3.95Å
350K93.6Very high92.7Very high142 Ų142106.9 Ų106.962%0.61754%0.54SS*.Hα-helixtrans-64.2-42.5176.5-175.3-179.3176.7-174.60111.4A346 E347 Q348 R353 L354A346-K350 VanDerWaalsContact O-CB 3.29Å; A346-K350 WeakPolarHBondContact O-CB 3.26Å; A346-K350 PolarHBondContact O-N 2.97Å; E347-K350 PolarHBondContact O-N 3.03Å; Q348-K350 VanDerWaalsContact C-N 3.26Å; Q348-K350 PolarHBondContact O-N 3.29Å; K350-R353 PolarHBondContact O-N 3.47Å; K350-L354 HydrophobicContact CG-CD1 4.21Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.47Å; K350-L354 PolarHBondContact O-N 3.05Å
351R94Very high92.1Very high166 Ų166109.2 Ų109.263%0.62655%0.553SS**Hα-helixtrans-64.1-44.2177.3-70.5172.8-163.8-173.48.4111E347 Q348 L354 A355E347-R351 VanDerWaalsContact O-CG 3.3Å; E347-R351 WeakPolarHBondContact O-CG 3.48Å; E347-R351 PolarHBondContact O-N 2.89Å; E347-R351 IonicContact OE2-NH2 3.42Å; E347-R351 PolarHBondContact OE2-NH2 3.05Å; Q348-R351 WeakPolarHBondContact O-CB 3.44Å; Q348-R351 PolarHBondContact O-N 3.27Å; R351-L354 PolarHBondContact O-N 2.99Å; R351-A355 WeakPolarHBondContact O-CB 3.26Å; R351-A355 PolarHBondContact O-N 3.36Å
352E93.9Very high90.8Very high130 Ų130111.8 Ų111.861%0.60759%0.588SS**Hα-helixtrans-61.5-45176.4-70.4173-177.500111.9Q348 E349 L354 A355 A356Q348-E352 WeakPolarHBondContact O-CG 3.31Å; Q348-E352 PolarHBondContact O-N 3.4Å; E349-E352 PolarHBondContact O-N 3.47Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.27Å; E352-A355 PolarHBondContact O-N 3.02Å; E352-A356 WeakPolarHBondContact O-CB 3.45Å; E352-A356 PolarHBondContact O-N 3.26Å
353R93.1Very high90.7Very high162 Ų162112 Ų11261%0.61159%0.593SS**Hα-helixtrans-61.9-38.7175.9-73.7176.9-169.2-176.38.7112.7E349 K350 R357E349-R353 WeakPolarHBondContact O-CB 3.47Å; E349-R353 VanDerWaalsContact O-CG 3.26Å; E349-R353 WeakPolarHBondContact O-CG 3.44Å; E349-R353 PolarHBondContact O-N 2.94Å; E349-R353 IonicContact OE2-NH2 3.95Å; K350-R353 PolarHBondContact O-N 3.47Å; R353-R357 WeakPolarHBondContact O-CB 3.3Å; R353-R357 VanDerWaalsContact O-CG 3.31Å; R353-R357 WeakPolarHBondContact O-CG 3.36Å; R353-R357 PolarHBondContact O-N 2.94Å
354L93.9Very high90.6Very high96 Ų96111.9 Ų111.950%0.50360%0.598SS.*Hα-helixtrans-69.5-41.8177-71.2170.9000111.4K350 R351 E352 R357 A358K350-L354 HydrophobicContact CG-CD1 4.21Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.47Å; K350-L354 PolarHBondContact O-N 3.05Å; R351-L354 PolarHBondContact O-N 2.99Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.27Å; L354-R357 PolarHBondContact O-N 3.22Å; L354-A358 WeakPolarHBondContact O-CB 3.45Å; L354-A358 PolarHBondContact O-N 3.43Å
355A92.4Very high90.3Very high61 Ų61111.8 Ų111.850%0.50460%0.601SS.*Hα-helixtrans-62.7-43.3174.900000111.8R351 E352 R357 A358 A359R351-A355 WeakPolarHBondContact O-CB 3.26Å; R351-A355 PolarHBondContact O-N 3.36Å; E352-A355 PolarHBondContact O-N 3.02Å; A355-R357 PolarHBondContact O-N 3.16Å; A355-A358 PolarHBondContact O-N 3.34Å; A355-A359 WeakPolarHBondContact O-CB 3.4Å; A355-A359 PolarHBondContact O-N 3.44Å
356A92.1Very high90Very high63 Ų63111.1 Ų111.152%0.52161%0.605SS.*Hα-helixtrans-63.3-40.1175.900000112.4E352 A359 A360E352-A356 WeakPolarHBondContact O-CB 3.45Å; E352-A356 PolarHBondContact O-N 3.26Å; A356-A359 PolarHBondContact O-N 2.89Å; A356-A360 WeakPolarHBondContact O-CB 3.37Å; A356-A360 PolarHBondContact O-N 3.29Å
357R91.7Very high89.8Confident172 Ų172114.5 Ų114.565%0.64961%0.614SS**Hα-helixtrans-65.5-40.9174.6-77.3177.1180-175.2-0.8112.3R353 L354 A355 A360 Q361R353-R357 WeakPolarHBondContact O-CB 3.3Å; R353-R357 VanDerWaalsContact O-CG 3.31Å; R353-R357 WeakPolarHBondContact O-CG 3.36Å; R353-R357 PolarHBondContact O-N 2.94Å; L354-R357 PolarHBondContact O-N 3.22Å; A355-R357 PolarHBondContact O-N 3.16Å; R357-A360 PolarHBondContact O-N 2.95Å; R357-Q361 WeakPolarHBondContact O-CG 3.4Å; R357-Q361 PolarHBondContact O-N 3.49Å
358A90.5Very high89.6Confident58 Ų58115.1 Ų115.148%0.47962%0.622SS.*Hα-helixtrans-65.1-41.5176.100000111.5L354 A355 A360 Q361 A362L354-A358 WeakPolarHBondContact O-CB 3.45Å; L354-A358 PolarHBondContact O-N 3.43Å; A355-A358 PolarHBondContact O-N 3.34Å; A358-A360 VanDerWaalsContact C-N 3.3Å; A358-A360 PolarHBondContact O-N 3Å; A358-Q361 PolarHBondContact O-N 3.35Å; A358-A362 PolarHBondContact O-N 2.85Å; A358-A362 VanDerWaalsContact O-N 3.16Å
359A86.9Confident89.2Confident71 Ų71115.4 Ų115.459%0.58763%0.629SS**Hα-helixtrans-68.2-25.217600000113.8A355 A356A355-A359 WeakPolarHBondContact O-CB 3.4Å; A355-A359 PolarHBondContact O-N 3.44Å; A356-A359 PolarHBondContact O-N 2.89Å
360A84.3Confident88.8Confident86 Ų86116.8 Ų116.871%0.71164%0.643SS**Hα-helixtrans-84.4-13.617500000113.7A356 R357 A358A356-A360 WeakPolarHBondContact O-CB 3.37Å; A356-A360 PolarHBondContact O-N 3.29Å; R357-A360 PolarHBondContact O-N 2.95Å; A358-A360 VanDerWaalsContact C-N 3.3Å; A358-A360 PolarHBondContact O-N 3Å
361Q80.8Confident88.4Confident175 Ų175114.7 Ų114.782%0.81865%0.645SS**Hα-helixtrans-100.7-15.2178.1-73.2178.7-14.300113.1R357 A358R357-Q361 WeakPolarHBondContact O-CG 3.4Å; R357-Q361 PolarHBondContact O-N 3.49Å; A358-Q361 PolarHBondContact O-N 3.35Å
362A67.4Low87.9Confident136 Ų136110 Ų110100%1.12465%0.647SS**  trans-89.70168.700000109.8A358A358-A362 PolarHBondContact O-N 2.85Å; A358-A362 VanDerWaalsContact O-N 3.16Å

Retrieved 362 of 362 residues in 293.1 ms (Link to these results)

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