A0A3Q0KSY3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KSY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 624 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
1M37.6Very low53.5Low117 Ų11780.7 Ų80.758%0.57643%0.43SS*.  0105.70-107.2-172.873.300109.5L3 I15 Y19 L56M1-L3 HydrophobicContact CE-CD1 4.07Å; M1-L3 HydrophobicContact CE-CD2 3.11Å; M1-L3 HydrophobicContact CE-CG 3.44Å; M1-L3 VanDerWaalsContact CE-CG 3.44Å; M1-I15 HydrophobicContact CE-CB 4.3Å; M1-I15 HydrophobicContact CE-CD1 4.47Å; M1-I15 HydrophobicContact CE-CG2 3.27Å; M1-I15 HydrophobicContact SD-CG2 3.71Å; M1-Y19 HydrophobicContact SD-CD2 4.19Å; M1-Y19 HydrophobicContact SD-CE2 4.23Å; M1-L56 HydrophobicContact CE-CD2 4.32Å; M1-L56 HydrophobicContact SD-CD2 3.89Å
2M38.2Very low54.6Low78 Ų7878.7 Ų78.738%0.38442%0.416SS..  trans-83.1109.9156.5-88.6-151-75.200107.9L4 S619 A620 W624M2-L4 PolarHBondContact O-N 3.48Å; M2-S619 VanDerWaalsContact CE-C 3.41Å; M2-S619 WeakPolarHBondContact CE-O 3.16Å; M2-A620 HydrophobicContact CE-CB 3.7Å; M2-A620 HydrophobicContact CG-CB 3.31Å; M2-A620 WeakPolarHBondContact SD-CA 3.45Å; M2-A620 HydrophobicContact SD-CB 3.63Å; M2-W624 PolarHBondContact SD-NE1 3.42Å
3L45.8Very low55.5Low31 Ų3178.1 Ų78.116%0.16241%0.412CS..  trans-71.6126.4171.6-77.4158.7000108.2M1 Q12 I15 V16M1-L3 HydrophobicContact CE-CD1 4.07Å; M1-L3 HydrophobicContact CE-CD2 3.11Å; M1-L3 HydrophobicContact CE-CG 3.44Å; M1-L3 VanDerWaalsContact CE-CG 3.44Å; L3-Q12 HydrophobicContact CB-CG 4.07Å; L3-Q12 HydrophobicContact CD1-CB 3.84Å; L3-Q12 HydrophobicContact CD1-CG 4.06Å; L3-Q12 HydrophobicContact CG-CG 4.45Å; L3-I15 HydrophobicContact CD2-CB 4.3Å; L3-I15 HydrophobicContact CD2-CD1 3.4Å; L3-I15 HydrophobicContact CD2-CG1 4.41Å; L3-I15 HydrophobicContact CD2-CG2 4.35Å; L3-V16 HydrophobicContact CD1-CG2 3.94Å
4L48.7Very low56.2Low59 Ų5973 Ų7331%0.30939%0.387SS..  trans-53.6132-179.5-63.5162.5000109.2M2 S6 V7 N51 I52M2-L4 PolarHBondContact O-N 3.48Å; L4-S6 PolarHBondContact O-N 3.49Å; L4-V7 HydrophobicContact CB-CG2 3.9Å; L4-V7 WeakPolarHBondContact O-CB 3.3Å; L4-V7 WeakPolarHBondContact O-CG2 3.31Å; L4-V7 PolarHBondContact O-N 3.28Å; L4-N51 HydrophobicContact CD1-CB 4.03Å; L4-I52 HydrophobicContact CD1-CG1 4.43Å
5P47Very low56.9Low118 Ų11868.1 Ų68.177%0.76636%0.361SS*.THydrogen-bonded Turntrans-56.6-23.3-179-25.232.2000114.2V7P5-V7 PolarHBondContact O-N 3.29Å
6S51.4Low57.7Low87 Ų8769.7 Ų69.761%0.60837%0.374SS*.THydrogen-bonded Turntrans-74.9-1.1177.753.70000114.7L4L4-S6 PolarHBondContact O-N 3.49Å
7V59.2Low58.2Low9 Ų975.9 Ų75.96%0.05540%0.396CS..SBendtrans-92.2132-177.3-179.90000110.4L4 P5 L11 Q12 T48 I52L4-V7 HydrophobicContact CB-CG2 3.9Å; L4-V7 WeakPolarHBondContact O-CB 3.3Å; L4-V7 WeakPolarHBondContact O-CG2 3.31Å; L4-V7 PolarHBondContact O-N 3.28Å; P5-V7 PolarHBondContact O-N 3.29Å; V7-L11 HydrophobicContact CG1-CB 3.64Å; V7-L11 HydrophobicContact CG1-CD2 3.75Å; V7-L11 HydrophobicContact CG1-CG 3.68Å; V7-Q12 HydrophobicContact CB-CG 4.13Å; V7-Q12 HydrophobicContact CG1-CG 3.92Å; V7-Q12 PolarHBondContact O-NE2 3Å; V7-T48 HydrophobicContact CG2-CG2 4.48Å; V7-I52 HydrophobicContact CG1-CD1 4.21Å; V7-I52 HydrophobicContact CG2-CD1 3.63Å; V7-I52 HydrophobicContact CG2-CG1 3.96Å
8S63.9Low58.6Low60 Ų6073.1 Ų73.142%0.4239%0.386SS..  trans-54.4141.9177.574.20000111.5D10 L11 Q12S8-D10 PolarHBondContact O-N 3.44Å; S8-D10 VanDerWaalsContact O-N 3.16Å; S8-L11 PolarHBondContact O-N 2.67Å; S8-L11 WeakPolarHBondContact OG-CB 3.33Å; S8-L11 PolarHBondContact OG-N 3.32Å; S8-Q12 WeakPolarHBondContact O-CG 3.46Å; S8-Q12 PolarHBondContact O-N 3.33Å
9R66.3Low59Low195 Ų19573.4 Ų73.474%0.73638%0.382SS*.Hα-helixtrans-55.6-35.1-179.6-168.8175.4-177.296.2-2.1112Q12 I13R9-Q12 WeakPolarHBondContact O-CB 3.34Å; R9-Q12 PolarHBondContact O-N 3.41Å; R9-I13 HydrophobicContact CG-CD1 4.06Å; R9-I13 WeakPolarHBondContact O-CB 3.2Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.4Å; R9-I13 PolarHBondContact O-N 2.88Å
10D65.4Low58.8Low125 Ų12572.4 Ų72.467%0.66838%0.38SS*.Hα-helixtrans-64.8-39.9176.2-64.4-35.8000112.5S8 A14S8-D10 PolarHBondContact O-N 3.44Å; S8-D10 VanDerWaalsContact O-N 3.16Å; D10-A14 WeakPolarHBondContact O-CB 3.44Å; D10-A14 PolarHBondContact O-N 3.17Å
11L65.3Low58.8Low9 Ų978 Ų785%0.04740%0.402CS..Hα-helixtrans-70.7-38.1175.1-175.748.8000111.4V7 S8 A14 I15 M36 V40 L43 I52V7-L11 HydrophobicContact CG1-CB 3.64Å; V7-L11 HydrophobicContact CG1-CD2 3.75Å; V7-L11 HydrophobicContact CG1-CG 3.68Å; S8-L11 PolarHBondContact O-N 2.67Å; S8-L11 WeakPolarHBondContact OG-CB 3.33Å; S8-L11 PolarHBondContact OG-N 3.32Å; L11-A14 HydrophobicContact CD1-CB 4.33Å; L11-A14 WeakPolarHBondContact O-CB 3.04Å; L11-A14 PolarHBondContact O-N 2.94Å; L11-I15 HydrophobicContact CD1-CD1 4.05Å; L11-I15 HydrophobicContact CD1-CG1 4.01Å; L11-I15 HydrophobicContact CG-CD1 3.93Å; L11-I15 HydrophobicContact CG-CG1 4.4Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.07Å; L11-M36 HydrophobicContact CD1-CE 4.23Å; L11-V40 HydrophobicContact CD1-CG2 4.08Å; L11-V40 HydrophobicContact CD2-CG1 4.32Å; L11-V40 HydrophobicContact CD2-CG2 4.36Å; L11-L43 HydrophobicContact CB-CD1 3.85Å; L11-L43 HydrophobicContact CD1-CD1 3.56Å; L11-L43 HydrophobicContact CD2-CD1 3.79Å; L11-L43 HydrophobicContact CG-CD1 3.92Å; L11-I52 HydrophobicContact CD2-CD1 3.77Å
12Q66.2Low59.9Low56 Ų5679 Ų7926%0.26241%0.41SS..Hα-helixtrans-59.2-49.3173.3-65.4-175.318.400111.3L3 V7 S8 R9 A14 I15 V16L3-Q12 HydrophobicContact CB-CG 4.07Å; L3-Q12 HydrophobicContact CD1-CB 3.84Å; L3-Q12 HydrophobicContact CD1-CG 4.06Å; L3-Q12 HydrophobicContact CG-CG 4.45Å; V7-Q12 HydrophobicContact CB-CG 4.13Å; V7-Q12 HydrophobicContact CG1-CG 3.92Å; V7-Q12 PolarHBondContact O-NE2 3Å; S8-Q12 WeakPolarHBondContact O-CG 3.46Å; S8-Q12 PolarHBondContact O-N 3.33Å; R9-Q12 WeakPolarHBondContact O-CB 3.34Å; R9-Q12 PolarHBondContact O-N 3.41Å; Q12-A14 VanDerWaalsContact C-N 3.31Å; Q12-A14 PolarHBondContact O-N 3.41Å; Q12-I15 PolarHBondContact O-N 3.11Å; Q12-V16 VanDerWaalsContact O-CG2 3.32Å; Q12-V16 WeakPolarHBondContact O-CG2 3.48Å; Q12-V16 PolarHBondContact O-N 3.32Å
13I66Low61Low71 Ų7176.4 Ų76.436%0.36440%0.397SS..Hα-helixtrans-61.3-42.2175.9-69.1166000110.5R9 V16 K17R9-I13 HydrophobicContact CG-CD1 4.06Å; R9-I13 WeakPolarHBondContact O-CB 3.2Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.4Å; R9-I13 PolarHBondContact O-N 2.88Å; I13-V16 PolarHBondContact O-N 2.92Å; I13-K17 HydrophobicContact CG2-CD 3.78Å; I13-K17 HydrophobicContact CG2-CG 4.11Å; I13-K17 VanDerWaalsContact O-CB 3.23Å; I13-K17 WeakPolarHBondContact O-CB 3.29Å; I13-K17 VanDerWaalsContact O-CG 3.28Å; I13-K17 WeakPolarHBondContact O-CG 3.5Å; I13-K17 PolarHBondContact O-N 2.98Å
14A65.7Low62.2Low7 Ų783.6 Ų83.66%0.05843%0.427CS..Hα-helixtrans-60.3-46.6177.100000112.4D10 L11 Q12 K17 A18 K39D10-A14 WeakPolarHBondContact O-CB 3.44Å; D10-A14 PolarHBondContact O-N 3.17Å; L11-A14 HydrophobicContact CD1-CB 4.33Å; L11-A14 WeakPolarHBondContact O-CB 3.04Å; L11-A14 PolarHBondContact O-N 2.94Å; Q12-A14 VanDerWaalsContact C-N 3.31Å; Q12-A14 PolarHBondContact O-N 3.41Å; A14-K17 PolarHBondContact O-N 3.35Å; A14-A18 WeakPolarHBondContact O-CB 3.39Å; A14-A18 PolarHBondContact O-N 3.47Å; A14-K39 HydrophobicContact CB-CD 3.92Å
15I66.9Low63.9Low0 Ų082.9 Ų82.90%043%0.427CS..Hα-helixtrans-62.6-50.6177.8-66.2161.4000109.1M1 L3 L11 Q12 K17 A18 Y19 M36 I52 L56M1-I15 HydrophobicContact CE-CB 4.3Å; M1-I15 HydrophobicContact CE-CD1 4.47Å; M1-I15 HydrophobicContact CE-CG2 3.27Å; M1-I15 HydrophobicContact SD-CG2 3.71Å; L3-I15 HydrophobicContact CD2-CB 4.3Å; L3-I15 HydrophobicContact CD2-CD1 3.4Å; L3-I15 HydrophobicContact CD2-CG1 4.41Å; L3-I15 HydrophobicContact CD2-CG2 4.35Å; L11-I15 HydrophobicContact CD1-CD1 4.05Å; L11-I15 HydrophobicContact CD1-CG1 4.01Å; L11-I15 HydrophobicContact CG-CD1 3.93Å; L11-I15 HydrophobicContact CG-CG1 4.4Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.07Å; Q12-I15 PolarHBondContact O-N 3.11Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.39Å; I15-A18 PolarHBondContact O-N 3.37Å; I15-Y19 WeakPolarHBondContact O-CB 3.38Å; I15-Y19 PolarHBondContact O-N 3.26Å; I15-M36 HydrophobicContact CB-CE 4.27Å; I15-M36 HydrophobicContact CD1-CE 4.37Å; I15-M36 HydrophobicContact CG1-CE 3.32Å; I15-M36 HydrophobicContact CG1-SD 4.36Å; I15-I52 HydrophobicContact CD1-CG2 3.93Å; I15-L56 HydrophobicContact CG2-CD2 4.16Å
16V69Low65.8Low93 Ų9378 Ų7856%0.56440%0.395SS*.Hα-helixtrans-61.6-38.8-179.91730000112.5L3 Q12 I13L3-V16 HydrophobicContact CD1-CG2 3.94Å; Q12-V16 VanDerWaalsContact O-CG2 3.32Å; Q12-V16 WeakPolarHBondContact O-CG2 3.48Å; Q12-V16 PolarHBondContact O-N 3.32Å; I13-V16 PolarHBondContact O-N 2.92Å
17K66.8Low67.7Low175 Ų17578.1 Ų78.176%0.76139%0.389SS*.Hα-helixtrans-71.7-40.5177.2-78.8-176.2177.4-179.70112.6I13 A14 I15 Y19I13-K17 HydrophobicContact CG2-CD 3.78Å; I13-K17 HydrophobicContact CG2-CG 4.11Å; I13-K17 VanDerWaalsContact O-CB 3.23Å; I13-K17 WeakPolarHBondContact O-CB 3.29Å; I13-K17 VanDerWaalsContact O-CG 3.28Å; I13-K17 WeakPolarHBondContact O-CG 3.5Å; I13-K17 PolarHBondContact O-N 2.98Å; A14-K17 PolarHBondContact O-N 3.35Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.39Å; K17-Y19 VanDerWaalsContact C-N 3.33Å
18A66.1Low69Low25 Ų2581.2 Ų81.221%0.20741%0.405CS..Hα-helixtrans-76-25.6179.600000111.7A14 I15 P20 F32 M36A14-A18 WeakPolarHBondContact O-CB 3.39Å; A14-A18 PolarHBondContact O-N 3.47Å; I15-A18 PolarHBondContact O-N 3.37Å; A18-P20 WeakPolarHBondContact O-CD 2.96Å; A18-P20 WeakPolarHBondContact O-CG 2.88Å; A18-F32 VanDerWaalsContact C-CE2 3.48Å; A18-F32 HydrophobicContact CB-CD2 4.35Å; A18-F32 HydrophobicContact CB-CE2 3.88Å; A18-F32 WeakPolarHBondContact O-CD2 3.48Å; A18-F32 WeakPolarHBondContact O-CE2 3.48Å; A18-M36 HydrophobicContact CB-SD 3.68Å
19Y65.4Low70.2Confident79 Ų7978.5 Ų78.531%0.3139%0.386SS..SBendtrans-60.7103.6178.6-162.4-89.7000108.9M1 I15 K17 K21 W29 F32M1-Y19 HydrophobicContact SD-CD2 4.19Å; M1-Y19 HydrophobicContact SD-CE2 4.23Å; I15-Y19 WeakPolarHBondContact O-CB 3.38Å; I15-Y19 PolarHBondContact O-N 3.26Å; K17-Y19 VanDerWaalsContact C-N 3.33Å; Y19-K21 PolarHBondContact O-N 2.98Å; Y19-W29 AromaticContact CE2-CH2 3.93Å; Y19-W29 HydrophobicContact CE2-CH2 3.93Å; Y19-W29 HydrophobicContact CE2-CZ3 4.43Å; Y19-F32 HydrophobicContact CD2-CE1 4.39Å; Y19-F32 AromaticContact CD2-CZ 3.96Å; Y19-F32 HydrophobicContact CD2-CZ 3.96Å
20P55.6Low71.4Confident54 Ų5470.2 Ų70.235%0.35136%0.356SS..  trans-72.3122.7-176-8.726.2000107.5A18 N22 I23 F32A18-P20 WeakPolarHBondContact O-CD 2.96Å; A18-P20 WeakPolarHBondContact O-CG 2.88Å; P20-N22 PolarHBondContact O-N 3.03Å; P20-I23 HydrophobicContact CB-CD1 4.35Å; P20-I23 HydrophobicContact CB-CG1 3.77Å; P20-I23 VanDerWaalsContact CD-CD1 3.48Å; P20-I23 HydrophobicContact CG-CD1 3.67Å; P20-I23 HydrophobicContact CG-CG1 3.63Å; P20-F32 HydrophobicContact CG-CD2 4.29Å
21K58.3Low72.5Confident190 Ų19068 Ų6883%0.82635%0.35SS*.THydrogen-bonded Turntrans-64.65.5-173.3-71.7-174.4175.2-1780115.2Y19Y19-K21 PolarHBondContact O-N 2.98Å
22N61.5Low73.6Confident139 Ų13968 Ų6874%0.74335%0.35SS*.THydrogen-bonded Turntrans-150.831.8-174-70.8-45.3000113.7P20 K24P20-N22 PolarHBondContact O-N 3.03Å; N22-K24 PolarHBondContact O-N 3.05Å
23I61.4Low74.7Confident23 Ų2365.4 Ų65.412%0.11834%0.338CS..  trans-61.2126.5176.2-61.7177.5000109.9P20 D28 W29 F32P20-I23 HydrophobicContact CB-CD1 4.35Å; P20-I23 HydrophobicContact CB-CG1 3.77Å; P20-I23 VanDerWaalsContact CD-CD1 3.48Å; P20-I23 HydrophobicContact CG-CD1 3.67Å; P20-I23 HydrophobicContact CG-CG1 3.63Å; I23-D28 HydrophobicContact CB-CB 4.32Å; I23-D28 HydrophobicContact CG1-CB 4.18Å; I23-D28 HydrophobicContact CG2-CB 3.57Å; I23-W29 HydrophobicContact CB-CD2 4.48Å; I23-W29 HydrophobicContact CB-CZ2 4.4Å; I23-W29 HydrophobicContact CD1-CD2 3.68Å; I23-W29 HydrophobicContact CD1-CE3 3.71Å; I23-W29 HydrophobicContact CD1-CG 4.26Å; I23-W29 HydrophobicContact CD1-CH2 4.15Å; I23-W29 HydrophobicContact CD1-CZ2 4.11Å; I23-W29 HydrophobicContact CD1-CZ3 3.96Å; I23-W29 HydrophobicContact CG2-CB 4.39Å; I23-W29 HydrophobicContact CG2-CD2 3.89Å; I23-W29 HydrophobicContact CG2-CG 3.6Å; I23-W29 HydrophobicContact CG2-CZ2 4.48Å; I23-F32 HydrophobicContact CD1-CB 4.2Å; I23-F32 HydrophobicContact CD1-CD1 4.47Å; I23-F32 HydrophobicContact CD1-CG 4.34Å
24K70.2Confident75.9Confident182 Ų18264.8 Ų64.879%0.79134%0.335SS*.  trans-128.7-3.6173.7-66.8-174.1-179.9-1760114.1N22N22-K24 PolarHBondContact O-N 3.05Å
25S84.8Confident76.8Confident44 Ų4468 Ų6831%0.30835%0.349SS..SBendtrans-127.2157.5-173.576.90000112.6D27 D28 W29S25-D27 VanDerWaalsContact C-N 3.27Å; S25-D27 PolarHBondContact O-N 2.85Å; S25-D28 WeakPolarHBondContact OG-CB 3.01Å; S25-D28 PolarHBondContact OG-N 3.47Å; S25-D28 PolarHBondContact OG-OD2 2.98Å; S25-W29 PolarHBondContact O-N 3.38Å
26C87.2Confident77.7Confident14 Ų1468 Ų6810%0.09535%0.349CS..Hα-helixtrans-63.6-33.6174.9-61.70000112.1W29 L30 D70 M72 I76C26-W29 PolarHBondContact O-N 3.38Å; C26-L30 VanDerWaalsContact O-CB 3.29Å; C26-L30 WeakPolarHBondContact O-CB 3.38Å; C26-L30 PolarHBondContact O-N 3.25Å; C26-D70 PolarHBondContact SG-OD2 3.01Å; C26-M72 HydrophobicContact CB-CB 3.44Å; C26-M72 VanDerWaalsContact CB-CB 3.44Å; C26-M72 HydrophobicContact CB-CG 4.47Å; C26-M72 HydrophobicContact CB-SD 4.26Å; C26-I76 HydrophobicContact CB-CD1 4.47Å
27D89.7Confident78.5Confident91 Ų9164.4 Ų64.449%0.48733%0.326SS..Hα-helixtrans-64.9-49178.8-176.345.4000111.8S25 W29 L30 S31 M72S25-D27 VanDerWaalsContact C-N 3.27Å; S25-D27 PolarHBondContact O-N 2.85Å; D27-W29 VanDerWaalsContact C-N 3.32Å; D27-W29 PolarHBondContact O-N 2.91Å; D27-L30 PolarHBondContact O-N 2.94Å; D27-S31 WeakPolarHBondContact O-CB 3.45Å; D27-S31 PolarHBondContact O-N 3.24Å; D27-M72 HydrophobicContact CB-CE 3.68Å; D27-M72 HydrophobicContact CB-SD 3.78Å; D27-M72 WeakPolarHBondContact OD1-CE 3.46Å
28D87.6Confident79.4Confident74 Ų7464 Ų6440%0.39632%0.319SS..Hα-helixtrans-57-46.1175.8-69.6-42.3000111.4I23 S25 F32I23-D28 HydrophobicContact CB-CB 4.32Å; I23-D28 HydrophobicContact CG1-CB 4.18Å; I23-D28 HydrophobicContact CG2-CB 3.57Å; S25-D28 WeakPolarHBondContact OG-CB 3.01Å; S25-D28 PolarHBondContact OG-N 3.47Å; S25-D28 PolarHBondContact OG-OD2 2.98Å; D28-F32 WeakPolarHBondContact O-CB 3.21Å; D28-F32 PolarHBondContact O-N 2.78Å
29W89.2Confident80Confident2 Ų266.4 Ų66.41%0.00833%0.325CS..Hα-helixtrans-63.1-45.9176.9-89.1118.6000112Y19 I23 S25 C26 D27 S31 F32 L33 A60 S63 L64 I76Y19-W29 AromaticContact CE2-CH2 3.93Å; Y19-W29 HydrophobicContact CE2-CH2 3.93Å; Y19-W29 HydrophobicContact CE2-CZ3 4.43Å; I23-W29 HydrophobicContact CB-CD2 4.48Å; I23-W29 HydrophobicContact CB-CZ2 4.4Å; I23-W29 HydrophobicContact CD1-CD2 3.68Å; I23-W29 HydrophobicContact CD1-CE3 3.71Å; I23-W29 HydrophobicContact CD1-CG 4.26Å; I23-W29 HydrophobicContact CD1-CH2 4.15Å; I23-W29 HydrophobicContact CD1-CZ2 4.11Å; I23-W29 HydrophobicContact CD1-CZ3 3.96Å; I23-W29 HydrophobicContact CG2-CB 4.39Å; I23-W29 HydrophobicContact CG2-CD2 3.89Å; I23-W29 HydrophobicContact CG2-CG 3.6Å; I23-W29 HydrophobicContact CG2-CZ2 4.48Å; S25-W29 PolarHBondContact O-N 3.38Å; C26-W29 PolarHBondContact O-N 3.38Å; D27-W29 VanDerWaalsContact C-N 3.32Å; D27-W29 PolarHBondContact O-N 2.91Å; W29-S31 PolarHBondContact O-N 3.44Å; W29-F32 AromaticContact CE3-CD1 3.83Å; W29-F32 HydrophobicContact CE3-CD1 3.83Å; W29-F32 HydrophobicContact CE3-CE1 4.39Å; W29-F32 AromaticContact CZ3-CD1 3.77Å; W29-F32 HydrophobicContact CZ3-CD1 3.77Å; W29-F32 AromaticContact CZ3-CE1 3.87Å; W29-F32 HydrophobicContact CZ3-CE1 3.87Å; W29-F32 PolarHBondContact O-N 2.91Å; W29-L33 VanDerWaalsContact O-CB 3.31Å; W29-L33 WeakPolarHBondContact O-CB 3.5Å; W29-L33 WeakPolarHBondContact O-CD1 3.41Å; W29-L33 WeakPolarHBondContact O-CG 3.49Å; W29-L33 PolarHBondContact O-N 3.38Å; W29-A60 HydrophobicContact CB-CB 4.28Å; W29-A60 HydrophobicContact CD2-CB 3.47Å; W29-A60 VanDerWaalsContact CD2-CB 3.47Å; W29-A60 HydrophobicContact CE3-CB 3.42Å; W29-A60 VanDerWaalsContact CE3-CB 3.42Å; W29-A60 HydrophobicContact CG-CB 3.84Å; W29-A60 HydrophobicContact CH2-CB 4.49Å; W29-A60 HydrophobicContact CZ3-CB 3.95Å; W29-S63 WeakPolarHBondContact CZ2-OG 3.42Å; W29-L64 HydrophobicContact CG-CD1 4.32Å; W29-I76 HydrophobicContact CB-CD1 3.84Å
30L90.9Very high80.6Confident22 Ų2262.6 Ų62.612%0.11531%0.31CS..Hα-helixtrans-66-40.1-178.4-170.961.2000111.4C26 D27 L33 N34 M72 T75 I76C26-L30 VanDerWaalsContact O-CB 3.29Å; C26-L30 WeakPolarHBondContact O-CB 3.38Å; C26-L30 PolarHBondContact O-N 3.25Å; D27-L30 PolarHBondContact O-N 2.94Å; L30-L33 PolarHBondContact O-N 3.26Å; L30-N34 VanDerWaalsContact O-CB 3.31Å; L30-N34 WeakPolarHBondContact O-CB 3.25Å; L30-N34 PolarHBondContact O-N 3.01Å; L30-N34 PolarHBondContact O-ND2 3.27Å; L30-N34 VanDerWaalsContact O-ND2 3.07Å; L30-M72 HydrophobicContact CD2-CG 4.46Å; L30-T75 HydrophobicContact CD1-CG2 4.01Å; L30-T75 HydrophobicContact CD2-CG2 4.34Å; L30-I76 HydrophobicContact CB-CD1 4.42Å; L30-I76 HydrophobicContact CB-CG1 4.45Å; L30-I76 HydrophobicContact CD1-CG1 4.05Å
31S89.1Confident81.6Confident77 Ų7761.7 Ų61.754%0.53830%0.3SS..Hα-helixtrans-61.3-47173.5-175.40000111.7D27 W29 N34 H35D27-S31 WeakPolarHBondContact O-CB 3.45Å; D27-S31 PolarHBondContact O-N 3.24Å; W29-S31 PolarHBondContact O-N 3.44Å; S31-N34 PolarHBondContact O-N 3.22Å; S31-H35 PolarHBondContact O-N 2.79Å
32F87.9Confident82.5Confident11 Ų1157 Ų575%0.04829%0.291CS..Hα-helixtrans-61.4-47.9175.3170-103.5000112.2A18 Y19 P20 I23 D28 W29 N34 H35 M36 L56A18-F32 VanDerWaalsContact C-CE2 3.48Å; A18-F32 HydrophobicContact CB-CD2 4.35Å; A18-F32 HydrophobicContact CB-CE2 3.88Å; A18-F32 WeakPolarHBondContact O-CD2 3.48Å; A18-F32 WeakPolarHBondContact O-CE2 3.48Å; Y19-F32 HydrophobicContact CD2-CE1 4.39Å; Y19-F32 AromaticContact CD2-CZ 3.96Å; Y19-F32 HydrophobicContact CD2-CZ 3.96Å; P20-F32 HydrophobicContact CG-CD2 4.29Å; I23-F32 HydrophobicContact CD1-CB 4.2Å; I23-F32 HydrophobicContact CD1-CD1 4.47Å; I23-F32 HydrophobicContact CD1-CG 4.34Å; D28-F32 WeakPolarHBondContact O-CB 3.21Å; D28-F32 PolarHBondContact O-N 2.78Å; W29-F32 AromaticContact CE3-CD1 3.83Å; W29-F32 HydrophobicContact CE3-CD1 3.83Å; W29-F32 HydrophobicContact CE3-CE1 4.39Å; W29-F32 AromaticContact CZ3-CD1 3.77Å; W29-F32 HydrophobicContact CZ3-CD1 3.77Å; W29-F32 AromaticContact CZ3-CE1 3.87Å; W29-F32 HydrophobicContact CZ3-CE1 3.87Å; W29-F32 PolarHBondContact O-N 2.91Å; F32-N34 VanDerWaalsContact C-N 3.35Å; F32-N34 PolarHBondContact O-N 3.33Å; F32-H35 WeakPolarHBondContact O-CB 3.47Å; F32-H35 PolarHBondContact O-N 3.19Å; F32-H35 VanDerWaalsContact O-N 3.15Å; F32-M36 HydrophobicContact CD1-CG 4.35Å; F32-M36 HydrophobicContact CD2-CG 3.89Å; F32-M36 HydrophobicContact CE1-CG 3.9Å; F32-M36 HydrophobicContact CE2-CG 3.36Å; F32-M36 HydrophobicContact CE2-SD 3.9Å; F32-M36 HydrophobicContact CG-CG 4.36Å; F32-M36 HydrophobicContact CZ-CG 3.38Å; F32-M36 HydrophobicContact CZ-SD 4.2Å; F32-M36 WeakPolarHBondContact O-CB 3.26Å; F32-M36 WeakPolarHBondContact O-CG 3.45Å; F32-M36 PolarHBondContact O-N 2.8Å; F32-L56 HydrophobicContact CE1-CD2 4.01Å; F32-L56 HydrophobicContact CZ-CD2 4.13Å
33L90.3Very high82.9Confident1 Ų154.6 Ų54.61%0.00528%0.278CS..Hα-helixtrans-60.6-43.8178.1-72.6164.6000110.9W29 L30 H35 M36 E37 L56 Y57 A60 I76W29-L33 VanDerWaalsContact O-CB 3.31Å; W29-L33 WeakPolarHBondContact O-CB 3.5Å; W29-L33 WeakPolarHBondContact O-CD1 3.41Å; W29-L33 WeakPolarHBondContact O-CG 3.49Å; W29-L33 PolarHBondContact O-N 3.38Å; L30-L33 PolarHBondContact O-N 3.26Å; L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.81Å; L33-M36 PolarHBondContact O-N 3.43Å; L33-E37 WeakPolarHBondContact O-CB 2.95Å; L33-E37 PolarHBondContact O-N 2.94Å; L33-L56 HydrophobicContact CD2-CB 3.83Å; L33-Y57 HydrophobicContact CD1-CD1 3.8Å; L33-Y57 HydrophobicContact CD1-CE1 3.72Å; L33-Y57 HydrophobicContact CD1-CG 4.49Å; L33-Y57 HydrophobicContact CD2-CD1 4.19Å; L33-Y57 HydrophobicContact CD2-CD2 4.12Å; L33-Y57 HydrophobicContact CD2-CE1 4.3Å; L33-Y57 HydrophobicContact CD2-CE2 4.22Å; L33-Y57 HydrophobicContact CD2-CG 4.08Å; L33-Y57 HydrophobicContact CG-CE1 4.41Å; L33-A60 HydrophobicContact CD1-CB 4Å; L33-I76 HydrophobicContact CD1-CD1 4.42Å; L33-I76 HydrophobicContact CD1-CG1 4.05Å; L33-I76 HydrophobicContact CD1-CG2 3.99Å
34N90.1Very high82.8Confident58 Ų5858.2 Ų58.231%0.3130%0.297SS..Hα-helixtrans-62.5-36.9175.2-72.8-30.7000112.7L30 S31 F32 R38 R79L30-N34 VanDerWaalsContact O-CB 3.31Å; L30-N34 WeakPolarHBondContact O-CB 3.25Å; L30-N34 PolarHBondContact O-N 3.01Å; L30-N34 PolarHBondContact O-ND2 3.27Å; L30-N34 VanDerWaalsContact O-ND2 3.07Å; S31-N34 PolarHBondContact O-N 3.22Å; F32-N34 VanDerWaalsContact C-N 3.35Å; F32-N34 PolarHBondContact O-N 3.33Å; N34-R38 PolarHBondContact O-N 3.32Å; N34-R38 PolarHBondContact O-NE 3.16Å; N34-R79 PolarHBondContact OD1-NH1 2.89Å
35H85.7Confident82.3Confident74 Ų7460 Ų6034%0.34330%0.299SS..Hα-helixtrans-68.3-49.9174.4177.676.3000111.7S31 F32 L33 E37 R38 K39S31-H35 PolarHBondContact O-N 2.79Å; F32-H35 WeakPolarHBondContact O-CB 3.47Å; F32-H35 PolarHBondContact O-N 3.19Å; F32-H35 VanDerWaalsContact O-N 3.15Å; L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.81Å; H35-E37 VanDerWaalsContact C-N 3.32Å; H35-E37 PolarHBondContact O-N 2.9Å; H35-R38 PolarHBondContact O-N 2.93Å; H35-K39 PolarHBondContact O-N 2.87Å; H35-K39 VanDerWaalsContact O-N 3.14Å
36M84.6Confident81Confident0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-64.8-38.7-179-74.5-50.5-4300111.9L11 I15 A18 F32 L33 R38 K39 V40 L56L11-M36 HydrophobicContact CD1-CE 4.23Å; I15-M36 HydrophobicContact CB-CE 4.27Å; I15-M36 HydrophobicContact CD1-CE 4.37Å; I15-M36 HydrophobicContact CG1-CE 3.32Å; I15-M36 HydrophobicContact CG1-SD 4.36Å; A18-M36 HydrophobicContact CB-SD 3.68Å; F32-M36 HydrophobicContact CD1-CG 4.35Å; F32-M36 HydrophobicContact CD2-CG 3.89Å; F32-M36 HydrophobicContact CE1-CG 3.9Å; F32-M36 HydrophobicContact CE2-CG 3.36Å; F32-M36 HydrophobicContact CE2-SD 3.9Å; F32-M36 HydrophobicContact CG-CG 4.36Å; F32-M36 HydrophobicContact CZ-CG 3.38Å; F32-M36 HydrophobicContact CZ-SD 4.2Å; F32-M36 WeakPolarHBondContact O-CB 3.26Å; F32-M36 WeakPolarHBondContact O-CG 3.45Å; F32-M36 PolarHBondContact O-N 2.8Å; L33-M36 PolarHBondContact O-N 3.43Å; M36-R38 PolarHBondContact O-N 3.44Å; M36-K39 PolarHBondContact O-N 2.61Å; M36-K39 VanDerWaalsContact O-N 3.13Å; M36-V40 HydrophobicContact CE-CG2 3.84Å; M36-V40 WeakPolarHBondContact O-CB 3.43Å; M36-V40 WeakPolarHBondContact O-CG2 3.48Å; M36-V40 PolarHBondContact O-N 2.86Å; M36-L56 HydrophobicContact CB-CD1 3.77Å; M36-L56 HydrophobicContact CG-CD1 4.1Å
37E86.8Confident79.6Confident18 Ų1861.5 Ų61.58%0.08431%0.313CS..Hα-helixtrans-60.6-47.1178.2-174.9160.7-173.800111.8L33 H35 K39 R41 L53 Y57 Y167L33-E37 WeakPolarHBondContact O-CB 2.95Å; L33-E37 PolarHBondContact O-N 2.94Å; H35-E37 VanDerWaalsContact C-N 3.32Å; H35-E37 PolarHBondContact O-N 2.9Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.85Å; E37-R41 HydrophobicContact CG-CG 4.42Å; E37-R41 WeakPolarHBondContact O-CB 3.34Å; E37-R41 WeakPolarHBondContact O-CD 3.49Å; E37-R41 WeakPolarHBondContact O-CG 3.4Å; E37-R41 PolarHBondContact O-N 3.26Å; E37-R41 IonicContact OE1-CZ 2.88Å; E37-R41 VanDerWaalsContact OE1-CZ 3.29Å; E37-R41 IonicContact OE1-NE 2.79Å; E37-R41 PolarHBondContact OE1-NE 3.12Å; E37-R41 IonicContact OE1-NH2 3.32Å; E37-R41 PolarHBondContact OE1-NH2 3.14Å; E37-L53 HydrophobicContact CB-CD2 4.06Å; E37-L53 HydrophobicContact CG-CD1 4.16Å; E37-L53 HydrophobicContact CG-CD2 4.24Å; E37-Y57 PolarHBondContact OE2-OH 3.25Å; E37-Y57 VanDerWaalsContact OE2-OH 3.09Å; E37-Y167 VanDerWaalsContact CD-OH 3.32Å; E37-Y167 VanDerWaalsContact OE1-CE2 3.31Å; E37-Y167 WeakPolarHBondContact OE1-CE2 3.14Å; E37-Y167 VanDerWaalsContact OE1-CZ 3.31Å; E37-Y167 PolarHBondContact OE1-OH 3.41Å; E37-Y167 PolarHBondContact OE2-OH 2.78Å
38R84Confident78.5Confident166 Ų16659.4 Ų59.463%0.62630%0.303SS*.Hα-helixtrans-58.1-41.2173.2-74.1177.8-71.2131.1-13.1112.3N34 H35 M36 S42N34-R38 PolarHBondContact O-N 3.32Å; N34-R38 PolarHBondContact O-NE 3.16Å; H35-R38 PolarHBondContact O-N 2.93Å; M36-R38 PolarHBondContact O-N 3.44Å; R38-S42 WeakPolarHBondContact O-CB 3.27Å; R38-S42 PolarHBondContact O-N 2.99Å; R38-S42 VanDerWaalsContact O-N 3.1Å; R38-S42 PolarHBondContact O-OG 3.19Å
39K79.7Confident77.8Confident75 Ų7556.2 Ų56.233%0.32629%0.286SS..Hα-helixtrans-75.3-43.9-175.2-167.4169.6-169.9173.10113.3A14 H35 M36 E37 R41 S42 L43A14-K39 HydrophobicContact CB-CD 3.92Å; H35-K39 PolarHBondContact O-N 2.87Å; H35-K39 VanDerWaalsContact O-N 3.14Å; M36-K39 PolarHBondContact O-N 2.61Å; M36-K39 VanDerWaalsContact O-N 3.13Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.85Å; K39-R41 VanDerWaalsContact C-N 3.34Å; K39-S42 PolarHBondContact O-N 2.9Å; K39-S42 PolarHBondContact O-OG 3.32Å; K39-L43 WeakPolarHBondContact O-CD1 3.4Å; K39-L43 WeakPolarHBondContact O-CG 3.31Å
40V78.7Confident77.1Confident0 Ų056.2 Ų56.20%029%0.287CS..Hα-helixtrans-65.1-43.6177-179.80000109L11 M36 S42 L43 T49 I52 L53L11-V40 HydrophobicContact CD1-CG2 4.08Å; L11-V40 HydrophobicContact CD2-CG1 4.32Å; L11-V40 HydrophobicContact CD2-CG2 4.36Å; M36-V40 HydrophobicContact CE-CG2 3.84Å; M36-V40 WeakPolarHBondContact O-CB 3.43Å; M36-V40 WeakPolarHBondContact O-CG2 3.48Å; M36-V40 PolarHBondContact O-N 2.86Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 3.3Å; V40-L43 PolarHBondContact O-N 3.38Å; V40-L43 VanDerWaalsContact O-N 3.16Å; V40-T49 HydrophobicContact CB-CG2 4.44Å; V40-T49 HydrophobicContact CG1-CG2 3.5Å; V40-I52 HydrophobicContact CG1-CB 4.24Å; V40-I52 HydrophobicContact CG1-CD1 4.05Å; V40-I52 HydrophobicContact CG1-CG2 4.22Å; V40-I52 HydrophobicContact CG2-CG2 3.87Å; V40-L53 HydrophobicContact CB-CD2 4.3Å; V40-L53 HydrophobicContact CG2-CD2 4.33Å
41R76.6Confident76.3Confident35 Ų3557.8 Ų57.813%0.13230%0.295CS..Hα-helixtrans-66.4-26.8178-68176.5-179.1-67.1-4.1113.8E37 K39 L43 T49 Y167 D170E37-R41 HydrophobicContact CG-CG 4.42Å; E37-R41 WeakPolarHBondContact O-CB 3.34Å; E37-R41 WeakPolarHBondContact O-CD 3.49Å; E37-R41 WeakPolarHBondContact O-CG 3.4Å; E37-R41 PolarHBondContact O-N 3.26Å; E37-R41 IonicContact OE1-CZ 2.88Å; E37-R41 VanDerWaalsContact OE1-CZ 3.29Å; E37-R41 IonicContact OE1-NE 2.79Å; E37-R41 PolarHBondContact OE1-NE 3.12Å; E37-R41 IonicContact OE1-NH2 3.32Å; E37-R41 PolarHBondContact OE1-NH2 3.14Å; K39-R41 VanDerWaalsContact C-N 3.34Å; R41-L43 VanDerWaalsContact C-N 3.26Å; R41-L43 PolarHBondContact O-N 2.93Å; R41-T49 HydrophobicContact CG-CG2 4.22Å; R41-Y167 PolarHBondContact NH2-OH 3.03Å; R41-Y167 VanDerWaalsContact NH2-OH 3.14Å; R41-D170 WeakPolarHBondContact CD-OD2 3.47Å; R41-D170 IonicContact NH1-OD2 3.6Å
42S76.6Confident75.8Confident90 Ų9054.6 Ų54.663%0.62927%0.272SS*.THydrogen-bonded Turntrans-73.6-14.6174.965.60000114.3R38 K39 V40R38-S42 WeakPolarHBondContact O-CB 3.27Å; R38-S42 PolarHBondContact O-N 2.99Å; R38-S42 VanDerWaalsContact O-N 3.1Å; R38-S42 PolarHBondContact O-OG 3.19Å; K39-S42 PolarHBondContact O-N 2.9Å; K39-S42 PolarHBondContact O-OG 3.32Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 3.3Å
43L69.2Low75.6Confident90 Ų9054.2 Ų54.247%0.47127%0.27SS..THydrogen-bonded Turntrans-98.9-33.4-171.1-69.5165.7000113.5L11 K39 V40 R41L11-L43 HydrophobicContact CB-CD1 3.85Å; L11-L43 HydrophobicContact CD1-CD1 3.56Å; L11-L43 HydrophobicContact CD2-CD1 3.79Å; L11-L43 HydrophobicContact CG-CD1 3.92Å; K39-L43 WeakPolarHBondContact O-CD1 3.4Å; K39-L43 WeakPolarHBondContact O-CG 3.31Å; V40-L43 PolarHBondContact O-N 3.38Å; V40-L43 VanDerWaalsContact O-N 3.16Å; R41-L43 VanDerWaalsContact C-N 3.26Å; R41-L43 PolarHBondContact O-N 2.93Å
44D59Low75.2Confident98 Ų9855 Ų5552%0.52427%0.274SS..  trans-165.3153.3175.5-16818.7000112.3T49D44-T49 PolarHBondContact O-OG1 2.84Å
45R59.4Low74.5Confident221 Ų22155.5 Ų55.583%0.83428%0.277SS*.  trans-110.6100.7175.2-65.7-174.5-178.2-172.80.3109.8
46G58.7Low74.5Confident21 Ų2152 Ų5222%0.21626%0.261CS..SBendtrans177.8-174.9176.400000114T48 T49G46-T48 PolarHBondContact O-N 3.44Å; G46-T49 WeakPolarHBondContact O-CB 3.44Å; G46-T49 PolarHBondContact O-N 2.94Å; G46-T49 VanDerWaalsContact O-N 3.09Å
47S57.6Low74.6Confident68 Ų6852 Ų5248%0.47626%0.261SS..Hα-helixtrans-60.7-29.3-178.159.20000113.5T49 T50 N51 E87S47-T49 VanDerWaalsContact C-N 3.32Å; S47-T49 PolarHBondContact O-N 3.27Å; S47-T50 PolarHBondContact O-N 3.49Å; S47-N51 WeakPolarHBondContact O-CB 3.47Å; S47-N51 PolarHBondContact O-N 2.87Å; S47-N51 PolarHBondContact O-ND2 3.38Å; S47-E87 WeakPolarHBondContact CA-OE1 3.21Å
48T66.8Low74.3Confident47 Ų4754.2 Ų54.229%0.28827%0.271SS..Hα-helixtrans-59.9-42.3174.7-48.60000111.5V7 G46 N51 I52V7-T48 HydrophobicContact CG2-CG2 4.48Å; G46-T48 PolarHBondContact O-N 3.44Å; T48-N51 PolarHBondContact O-N 3.49Å; T48-I52 HydrophobicContact CG2-CD1 4.46Å; T48-I52 VanDerWaalsContact O-CG1 3.29Å; T48-I52 WeakPolarHBondContact O-CG1 3.36Å; T48-I52 PolarHBondContact O-N 2.99Å; T48-I52 VanDerWaalsContact O-N 3.13Å
49T72.8Confident73.9Confident6 Ų647.6 Ų47.64%0.03725%0.251CS..Hα-helixtrans-63-47.1178-70.50000111.2V40 R41 D44 G46 S47 N51 I52 L53V40-T49 HydrophobicContact CB-CG2 4.44Å; V40-T49 HydrophobicContact CG1-CG2 3.5Å; R41-T49 HydrophobicContact CG-CG2 4.22Å; D44-T49 PolarHBondContact O-OG1 2.84Å; G46-T49 WeakPolarHBondContact O-CB 3.44Å; G46-T49 PolarHBondContact O-N 2.94Å; G46-T49 VanDerWaalsContact O-N 3.09Å; S47-T49 VanDerWaalsContact C-N 3.32Å; S47-T49 PolarHBondContact O-N 3.27Å; T49-N51 PolarHBondContact O-N 3.36Å; T49-I52 PolarHBondContact O-N 2.56Å; T49-L53 HydrophobicContact CG2-CD1 4.37Å; T49-L53 WeakPolarHBondContact O-CG 3.49Å; T49-L53 PolarHBondContact O-N 3.3Å; T49-L53 VanDerWaalsContact O-N 3.08Å
50T73.9Confident74Confident2 Ų244 Ų441%0.01224%0.235CC..Hα-helixtrans-66.9-38.2-179.5-40.30000112.2S47 I52 L53 L54 L83 E87S47-T50 PolarHBondContact O-N 3.49Å; T50-I52 VanDerWaalsContact C-N 3.31Å; T50-I52 PolarHBondContact O-N 2.96Å; T50-L53 PolarHBondContact O-N 3.47Å; T50-L53 VanDerWaalsContact O-N 3.15Å; T50-L54 HydrophobicContact CG2-CD1 4.28Å; T50-L54 HydrophobicContact CG2-CG 4.31Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 WeakPolarHBondContact O-CG 3.29Å; T50-L54 PolarHBondContact O-N 2.84Å; T50-L83 HydrophobicContact CG2-CB 4.43Å; T50-L83 HydrophobicContact CG2-CD2 4Å; T50-E87 VanDerWaalsContact CB-CD 3.44Å; T50-E87 VanDerWaalsContact CB-CG 3.43Å; T50-E87 WeakPolarHBondContact CB-OE1 3.42Å; T50-E87 HydrophobicContact CG2-CG 3.22Å; T50-E87 PolarHBondContact OG1-OE1 2.86Å
51N74.8Confident74.1Confident56 Ų5645.2 Ų45.230%0.29924%0.241SC..Hα-helixtrans-61.9-38.4176-76.5-48.9000112.2L4 S47 T48 T49 N55L4-N51 HydrophobicContact CD1-CB 4.03Å; S47-N51 WeakPolarHBondContact O-CB 3.47Å; S47-N51 PolarHBondContact O-N 2.87Å; S47-N51 PolarHBondContact O-ND2 3.38Å; T48-N51 PolarHBondContact O-N 3.49Å; T49-N51 PolarHBondContact O-N 3.36Å; N51-N55 VanDerWaalsContact O-CG 3.3Å; N51-N55 PolarHBondContact O-N 2.72Å; N51-N55 VanDerWaalsContact O-N 3.1Å; N51-N55 PolarHBondContact O-ND2 3.19Å; N51-N55 VanDerWaalsContact O-ND2 3.11Å
52I78Confident73.9Confident10 Ų1049.5 Ų49.55%0.05127%0.267CS..Hα-helixtrans-61.3-49.2172.2-64.7163.3000110.1L4 V7 L11 I15 V40 T48 T49 T50 L54 N55 L56L4-I52 HydrophobicContact CD1-CG1 4.43Å; V7-I52 HydrophobicContact CG1-CD1 4.21Å; V7-I52 HydrophobicContact CG2-CD1 3.63Å; V7-I52 HydrophobicContact CG2-CG1 3.96Å; L11-I52 HydrophobicContact CD2-CD1 3.77Å; I15-I52 HydrophobicContact CD1-CG2 3.93Å; V40-I52 HydrophobicContact CG1-CB 4.24Å; V40-I52 HydrophobicContact CG1-CD1 4.05Å; V40-I52 HydrophobicContact CG1-CG2 4.22Å; V40-I52 HydrophobicContact CG2-CG2 3.87Å; T48-I52 HydrophobicContact CG2-CD1 4.46Å; T48-I52 VanDerWaalsContact O-CG1 3.29Å; T48-I52 WeakPolarHBondContact O-CG1 3.36Å; T48-I52 PolarHBondContact O-N 2.99Å; T48-I52 VanDerWaalsContact O-N 3.13Å; T49-I52 PolarHBondContact O-N 2.56Å; T50-I52 VanDerWaalsContact C-N 3.31Å; T50-I52 PolarHBondContact O-N 2.96Å; I52-L54 PolarHBondContact O-N 2.91Å; I52-N55 PolarHBondContact O-N 3.46Å; I52-L56 HydrophobicContact CG2-CD1 4.13Å; I52-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CG 3.46Å; I52-L56 PolarHBondContact O-N 3.5Å
53L83.6Confident73.8Confident2 Ų248.3 Ų48.31%0.0126%0.258CS..Hα-helixtrans-61.4-46.1179.7-64.2176.3000111.5E37 V40 T49 T50 N55 L56 Y57 L83E37-L53 HydrophobicContact CB-CD2 4.06Å; E37-L53 HydrophobicContact CG-CD1 4.16Å; E37-L53 HydrophobicContact CG-CD2 4.24Å; V40-L53 HydrophobicContact CB-CD2 4.3Å; V40-L53 HydrophobicContact CG2-CD2 4.33Å; T49-L53 HydrophobicContact CG2-CD1 4.37Å; T49-L53 WeakPolarHBondContact O-CG 3.49Å; T49-L53 PolarHBondContact O-N 3.3Å; T49-L53 VanDerWaalsContact O-N 3.08Å; T50-L53 PolarHBondContact O-N 3.47Å; T50-L53 VanDerWaalsContact O-N 3.15Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3.1Å; L53-L56 WeakPolarHBondContact O-CB 3.49Å; L53-L56 PolarHBondContact O-N 2.77Å; L53-Y57 HydrophobicContact CB-CD2 4.43Å; L53-Y57 VanDerWaalsContact O-CD2 3.24Å; L53-Y57 WeakPolarHBondContact O-CD2 3.18Å; L53-Y57 PolarHBondContact O-N 3.44Å; L53-L83 HydrophobicContact CB-CD1 3.75Å; L53-L83 HydrophobicContact CD1-CD1 4.43Å
54L81.5Confident74.3Confident17 Ų1744.8 Ų44.89%0.08924%0.24CC..Hα-helixtrans-54.2-45.7176.9-77.5172.1000112T50 I52 L56 Y57 E58 R80 L83 A84 E87T50-L54 HydrophobicContact CG2-CD1 4.28Å; T50-L54 HydrophobicContact CG2-CG 4.31Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 WeakPolarHBondContact O-CG 3.29Å; T50-L54 PolarHBondContact O-N 2.84Å; I52-L54 PolarHBondContact O-N 2.91Å; L54-L56 PolarHBondContact O-N 2.91Å; L54-Y57 PolarHBondContact O-N 2.96Å; L54-E58 VanDerWaalsContact O-CB 3.32Å; L54-E58 WeakPolarHBondContact O-CB 3.41Å; L54-E58 PolarHBondContact O-N 3.14Å; L54-R80 HydrophobicContact CD2-CG 4.41Å; L54-L83 HydrophobicContact CD2-CB 3.78Å; L54-L83 HydrophobicContact CG-CB 4.38Å; L54-A84 HydrophobicContact CD2-CB 3.89Å; L54-E87 HydrophobicContact CD1-CB 4.2Å; L54-E87 HydrophobicContact CD1-CG 4.05Å
55N76.8Confident75Confident70 Ų7047.4 Ų47.437%0.37425%0.254SS..Hα-helixtrans-65.2-36.4176.9-72.7-32.4000112.8N51 I52 L53 S59N51-N55 VanDerWaalsContact O-CG 3.3Å; N51-N55 PolarHBondContact O-N 2.72Å; N51-N55 VanDerWaalsContact O-N 3.1Å; N51-N55 PolarHBondContact O-ND2 3.19Å; N51-N55 VanDerWaalsContact O-ND2 3.11Å; I52-N55 PolarHBondContact O-N 3.46Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3.1Å; N55-S59 WeakPolarHBondContact O-CB 3.45Å; N55-S59 PolarHBondContact O-N 2.97Å; N55-S59 PolarHBondContact O-OG 3.28Å
56L84.9Confident75.8Confident1 Ų141.1 Ų41.11%0.00524%0.24CC..Hα-helixtrans-68.6-44.2175.9-67.1175.1000111.6M1 I15 F32 L33 M36 I52 L53 L54 E58 S59 A60M1-L56 HydrophobicContact CE-CD2 4.32Å; M1-L56 HydrophobicContact SD-CD2 3.89Å; I15-L56 HydrophobicContact CG2-CD2 4.16Å; F32-L56 HydrophobicContact CE1-CD2 4.01Å; F32-L56 HydrophobicContact CZ-CD2 4.13Å; L33-L56 HydrophobicContact CD2-CB 3.83Å; M36-L56 HydrophobicContact CB-CD1 3.77Å; M36-L56 HydrophobicContact CG-CD1 4.1Å; I52-L56 HydrophobicContact CG2-CD1 4.13Å; I52-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CG 3.46Å; I52-L56 PolarHBondContact O-N 3.5Å; L53-L56 WeakPolarHBondContact O-CB 3.49Å; L53-L56 PolarHBondContact O-N 2.77Å; L54-L56 PolarHBondContact O-N 2.91Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-S59 PolarHBondContact O-N 3.14Å; L56-A60 PolarHBondContact O-N 2.91Å
57Y87.6Confident76.7Confident0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-64.3-38.4175.2-84.6-79.8000111.9L33 E37 L53 L54 A60 I61 I76 R79 R80 L83L33-Y57 HydrophobicContact CD1-CD1 3.8Å; L33-Y57 HydrophobicContact CD1-CE1 3.72Å; L33-Y57 HydrophobicContact CD1-CG 4.49Å; L33-Y57 HydrophobicContact CD2-CD1 4.19Å; L33-Y57 HydrophobicContact CD2-CD2 4.12Å; L33-Y57 HydrophobicContact CD2-CE1 4.3Å; L33-Y57 HydrophobicContact CD2-CE2 4.22Å; L33-Y57 HydrophobicContact CD2-CG 4.08Å; L33-Y57 HydrophobicContact CG-CE1 4.41Å; E37-Y57 PolarHBondContact OE2-OH 3.25Å; E37-Y57 VanDerWaalsContact OE2-OH 3.09Å; L53-Y57 HydrophobicContact CB-CD2 4.43Å; L53-Y57 VanDerWaalsContact O-CD2 3.24Å; L53-Y57 WeakPolarHBondContact O-CD2 3.18Å; L53-Y57 PolarHBondContact O-N 3.44Å; L54-Y57 PolarHBondContact O-N 2.96Å; Y57-A60 WeakPolarHBondContact O-CB 3.41Å; Y57-A60 PolarHBondContact O-N 3.46Å; Y57-I61 WeakPolarHBondContact O-CG1 3.38Å; Y57-I61 PolarHBondContact O-N 2.89Å; Y57-I61 VanDerWaalsContact O-N 3.08Å; Y57-I76 HydrophobicContact CD1-CG2 3.92Å; Y57-I76 WeakPolarHBondContact CD1-O 3.44Å; Y57-I76 HydrophobicContact CE1-CG2 4.44Å; Y57-R79 HydrophobicContact CD1-CB 4.25Å; Y57-R79 HydrophobicContact CE1-CB 3.46Å; Y57-R79 VanDerWaalsContact CE1-CB 3.46Å; Y57-R79 HydrophobicContact CE1-CG 4.39Å; Y57-R79 WeakPolarHBondContact OH-CD 3.45Å; Y57-R80 HydrophobicContact CD1-CB 4.27Å; Y57-R80 HydrophobicContact CG-CB 4.19Å; Y57-L83 HydrophobicContact CD2-CD1 3.52Å; Y57-L83 HydrophobicContact CE2-CD1 3.45Å; Y57-L83 VanDerWaalsContact CE2-CD1 3.45Å
58E79.2Confident77.7Confident63 Ų6341.7 Ų41.729%0.29423%0.23SC..Hα-helixtrans-63.2-46.7173.8-172.7158.4170.900111.5L54 L56 A60 I61 D62 R80L54-E58 VanDerWaalsContact O-CB 3.32Å; L54-E58 WeakPolarHBondContact O-CB 3.41Å; L54-E58 PolarHBondContact O-N 3.14Å; L56-E58 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.21Å; E58-I61 PolarHBondContact O-N 3.34Å; E58-I61 VanDerWaalsContact O-N 3.14Å; E58-D62 PolarHBondContact O-N 3.14Å; E58-R80 VanDerWaalsContact CD-NH2 3.34Å; E58-R80 IonicContact OE1-NH2 2.77Å; E58-R80 IonicContact OE2-CZ 3.94Å; E58-R80 IonicContact OE2-NE 3.29Å; E58-R80 IonicContact OE2-NH2 2.56Å; E58-R80 PolarHBondContact OE2-NH2 3.32Å
59S75.6Confident78.3Confident28 Ų2844.9 Ų44.920%0.19626%0.255CS..Hα-helixtrans-59.4-36175.6-57.60000112.4N55 L56 S63N55-S59 WeakPolarHBondContact O-CB 3.45Å; N55-S59 PolarHBondContact O-N 2.97Å; N55-S59 PolarHBondContact O-OG 3.28Å; L56-S59 PolarHBondContact O-N 3.14Å; S59-S63 WeakPolarHBondContact O-CB 3.42Å; S59-S63 PolarHBondContact O-N 2.77Å; S59-S63 PolarHBondContact O-OG 3.36Å
60A82.5Confident78.9Confident0 Ų046.9 Ų46.90%027%0.265CS..Hα-helixtrans-64.8-48.3175.600000111.7W29 L33 L56 Y57 E58 S63 L64 I76W29-A60 HydrophobicContact CB-CB 4.28Å; W29-A60 HydrophobicContact CD2-CB 3.47Å; W29-A60 VanDerWaalsContact CD2-CB 3.47Å; W29-A60 HydrophobicContact CE3-CB 3.42Å; W29-A60 VanDerWaalsContact CE3-CB 3.42Å; W29-A60 HydrophobicContact CG-CB 3.84Å; W29-A60 HydrophobicContact CH2-CB 4.49Å; W29-A60 HydrophobicContact CZ3-CB 3.95Å; L33-A60 HydrophobicContact CD1-CB 4Å; L56-A60 PolarHBondContact O-N 2.91Å; Y57-A60 WeakPolarHBondContact O-CB 3.41Å; Y57-A60 PolarHBondContact O-N 3.46Å; E58-A60 PolarHBondContact O-N 3.21Å; A60-S63 PolarHBondContact O-N 2.94Å; A60-L64 WeakPolarHBondContact O-CD1 2.88Å; A60-L64 VanDerWaalsContact O-CG 3.22Å; A60-L64 WeakPolarHBondContact O-CG 3.46Å; A60-L64 PolarHBondContact O-N 3.36Å; A60-I76 HydrophobicContact CB-CG2 4.06Å
61I80.6Confident79.8Confident24 Ų2451.5 Ų51.512%0.12329%0.287CS..Hα-helixtrans-64-42.1179.4-67.6170.2000111.2Y57 E58 S63 L64 I76 F77 R80Y57-I61 WeakPolarHBondContact O-CG1 3.38Å; Y57-I61 PolarHBondContact O-N 2.89Å; Y57-I61 VanDerWaalsContact O-N 3.08Å; E58-I61 PolarHBondContact O-N 3.34Å; E58-I61 VanDerWaalsContact O-N 3.14Å; I61-S63 PolarHBondContact O-N 3.03Å; I61-L64 PolarHBondContact O-N 3.44Å; I61-I76 HydrophobicContact CG1-CG2 4.12Å; I61-F77 HydrophobicContact CD1-CD2 3.75Å; I61-F77 HydrophobicContact CD1-CE2 4.17Å; I61-F77 HydrophobicContact CD1-CG 4.26Å; I61-F77 HydrophobicContact CG1-CD2 4.34Å; I61-F77 HydrophobicContact CG2-CD2 4.49Å; I61-F77 HydrophobicContact CG2-CE2 4.47Å; I61-R80 HydrophobicContact CD1-CB 4.2Å; I61-R80 HydrophobicContact CD1-CG 4.4Å
62D73.2Confident80.6Confident125 Ų12551.8 Ų51.867%0.66829%0.287SS*.Hα-helixtrans-65.7-24.6178.8-71.2-14.3000113E58E58-D62 PolarHBondContact O-N 3.14Å
63S74.7Confident81.2Confident65 Ų6551.5 Ų51.546%0.45529%0.285SS..THydrogen-bonded Turntrans-93.2-6.9-179.3-55.90000113.6W29 S59 A60 I61W29-S63 WeakPolarHBondContact CZ2-OG 3.42Å; S59-S63 WeakPolarHBondContact O-CB 3.42Å; S59-S63 PolarHBondContact O-N 2.77Å; S59-S63 PolarHBondContact O-OG 3.36Å; A60-S63 PolarHBondContact O-N 2.94Å; I61-S63 PolarHBondContact O-N 3.03Å
64L79.1Confident81.6Confident17 Ų1751.5 Ų51.59%0.08929%0.285CS..SBendtrans-108.2142.5-176.5-74170.4000110.6W29 A60 I61 V66 Y73 I76W29-L64 HydrophobicContact CG-CD1 4.32Å; A60-L64 WeakPolarHBondContact O-CD1 2.88Å; A60-L64 VanDerWaalsContact O-CG 3.22Å; A60-L64 WeakPolarHBondContact O-CG 3.46Å; A60-L64 PolarHBondContact O-N 3.36Å; I61-L64 PolarHBondContact O-N 3.44Å; L64-V66 PolarHBondContact O-N 3.16Å; L64-Y73 HydrophobicContact CB-CD2 4.17Å; L64-Y73 HydrophobicContact CB-CE2 4.16Å; L64-Y73 HydrophobicContact CD1-CD2 4.21Å; L64-I76 HydrophobicContact CD1-CD1 3.88Å
65D73.6Confident82.2Confident152 Ų15250.9 Ų50.981%0.81328%0.282SS*.  trans-64.6134.4166.4-69.9-41.4000109.5N67D65-N67 PolarHBondContact O-N 2.82Å
66V75.6Confident82.9Confident89 Ų8947.5 Ų47.554%0.53926%0.264SS..  trans-63.1112.5179.2178.40000109.6L64L64-V66 PolarHBondContact O-N 3.16Å
67N78Confident83.2Confident72 Ų7248.1 Ų48.139%0.38527%0.267SS..  trans-136.694.2179-172-7.2000112D65 S69 D70 Y73D65-N67 PolarHBondContact O-N 2.82Å; N67-S69 PolarHBondContact O-N 3.44Å; N67-S69 PolarHBondContact OD1-N 3.06Å; N67-D70 HydrophobicContact CB-CB 4.07Å; N67-D70 PolarHBondContact O-N 3.32Å; N67-D70 PolarHBondContact OD1-N 3.05Å; N67-Y73 WeakPolarHBondContact O-CD1 3.28Å
68W79.5Confident83.5Confident29 Ų2948.1 Ų48.111%0.1127%0.267CS..THydrogen-bonded Turntrans-74-1179.4-61.7105.5000114.8Y73 L74 F77 L98 N102 Y466W68-Y73 HydrophobicContact CD2-CE1 4.33Å; W68-Y73 HydrophobicContact CE3-CE1 4.42Å; W68-Y73 HydrophobicContact CZ2-CE1 4.47Å; W68-L74 HydrophobicContact CD2-CD2 4.49Å; W68-L74 HydrophobicContact CE3-CD2 3.49Å; W68-L74 VanDerWaalsContact CE3-CD2 3.49Å; W68-L74 HydrophobicContact CZ3-CD2 4.1Å; W68-F77 HydrophobicContact CH2-CD1 4.02Å; W68-F77 AromaticContact CH2-CD2 3.82Å; W68-F77 HydrophobicContact CH2-CD2 3.82Å; W68-F77 AromaticContact CH2-CE1 3.85Å; W68-F77 HydrophobicContact CH2-CE1 3.85Å; W68-F77 AromaticContact CH2-CE2 3.66Å; W68-F77 HydrophobicContact CH2-CE2 3.66Å; W68-F77 HydrophobicContact CH2-CG 4.01Å; W68-F77 AromaticContact CH2-CZ 3.68Å; W68-F77 HydrophobicContact CH2-CZ 3.68Å; W68-F77 HydrophobicContact CZ2-CD2 4.48Å; W68-F77 HydrophobicContact CZ2-CE2 4.14Å; W68-F77 HydrophobicContact CZ2-CZ 4.37Å; W68-F77 HydrophobicContact CZ3-CD1 4.25Å; W68-F77 HydrophobicContact CZ3-CD2 4.39Å; W68-F77 HydrophobicContact CZ3-CE1 4.46Å; W68-F77 HydrophobicContact CZ3-CG 4.21Å; W68-L98 HydrophobicContact CH2-CB 4.24Å; W68-N102 HydrophobicContact CB-CB 4.06Å; W68-N102 HydrophobicContact CD2-CB 3.11Å; W68-N102 VanDerWaalsContact CE2-CB 3.46Å; W68-N102 HydrophobicContact CE3-CB 3.32Å; W68-N102 HydrophobicContact CG-CB 3.42Å; W68-N102 VanDerWaalsContact CG-CB 3.42Å; W68-N102 HydrophobicContact CH2-CB 4.18Å; W68-N102 VanDerWaalsContact CH2-ND2 3.32Å; W68-N102 WeakPolarHBondContact CH2-ND2 3.47Å; W68-N102 HydrophobicContact CZ2-CB 4.01Å; W68-N102 WeakPolarHBondContact CZ2-ND2 3.17Å; W68-N102 HydrophobicContact CZ3-CB 3.86Å; W68-Y466 PolarHBondContact NE1-O 2.93Å
69S79.7Confident84.2Confident114 Ų11446.9 Ų46.980%0.79726%0.259SS*.THydrogen-bonded Turntrans-99-13.7172.7-56.50000112.8N67N67-S69 PolarHBondContact O-N 3.44Å; N67-S69 PolarHBondContact OD1-N 3.06Å
70D85.7Confident84.8Confident48 Ų4847.4 Ų47.426%0.25726%0.257SS..  trans-84.5117.8178.4179.6-7.8000110.5C26 N67 M72 Y73 L74C26-D70 PolarHBondContact SG-OD2 3.01Å; N67-D70 HydrophobicContact CB-CB 4.07Å; N67-D70 PolarHBondContact O-N 3.32Å; N67-D70 PolarHBondContact OD1-N 3.05Å; D70-M72 PolarHBondContact O-N 3.3Å; D70-M72 WeakPolarHBondContact OD1-CB 3.35Å; D70-M72 PolarHBondContact OD1-N 2.91Å; D70-Y73 PolarHBondContact O-N 3.14Å; D70-L74 WeakPolarHBondContact O-CB 3.11Å; D70-L74 VanDerWaalsContact O-CG 3.27Å; D70-L74 WeakPolarHBondContact O-CG 3.21Å; D70-L74 PolarHBondContact O-N 3.24Å
71E91.3Very high85.1Confident100 Ų10047.4 Ų47.447%0.46726%0.257SS..Hα-helixtrans-57.1-36.7178.9-174.2179.299.900112.7T75 P164 F165E71-T75 VanDerWaalsContact O-CB 3.32Å; E71-T75 WeakPolarHBondContact O-CB 3.15Å; E71-T75 PolarHBondContact O-N 3.46Å; E71-T75 PolarHBondContact O-OG1 3.24Å; E71-P164 HydrophobicContact CG-CG 3.93Å; E71-F165 HydrophobicContact CG-CE1 4.32Å; E71-F165 HydrophobicContact CG-CZ 3.99Å
72M92.1Very high85.5Confident61 Ų6146.3 Ų46.330%0.325%0.252SS..Hα-helixtrans-72.3-42.5180-67.1-180138.500111.3C26 D27 L30 D70 L74 T75 I76C26-M72 HydrophobicContact CB-CB 3.44Å; C26-M72 VanDerWaalsContact CB-CB 3.44Å; C26-M72 HydrophobicContact CB-CG 4.47Å; C26-M72 HydrophobicContact CB-SD 4.26Å; D27-M72 HydrophobicContact CB-CE 3.68Å; D27-M72 HydrophobicContact CB-SD 3.78Å; D27-M72 WeakPolarHBondContact OD1-CE 3.46Å; L30-M72 HydrophobicContact CD2-CG 4.46Å; D70-M72 PolarHBondContact O-N 3.3Å; D70-M72 WeakPolarHBondContact OD1-CB 3.35Å; D70-M72 PolarHBondContact OD1-N 2.91Å; M72-L74 VanDerWaalsContact C-N 3.35Å; M72-T75 WeakPolarHBondContact O-CB 3.41Å; M72-T75 PolarHBondContact O-N 2.71Å; M72-I76 WeakPolarHBondContact O-CG1 3.33Å; M72-I76 PolarHBondContact O-N 3.24Å
73Y90.1Very high86.1Confident5 Ų540.4 Ų40.42%0.0222%0.22CC..Hα-helixtrans-58.9-48.1172.9-179.1-91.3000110.8L64 N67 W68 D70 T75 I76 F77L64-Y73 HydrophobicContact CB-CD2 4.17Å; L64-Y73 HydrophobicContact CB-CE2 4.16Å; L64-Y73 HydrophobicContact CD1-CD2 4.21Å; N67-Y73 WeakPolarHBondContact O-CD1 3.28Å; W68-Y73 HydrophobicContact CD2-CE1 4.33Å; W68-Y73 HydrophobicContact CE3-CE1 4.42Å; W68-Y73 HydrophobicContact CZ2-CE1 4.47Å; D70-Y73 PolarHBondContact O-N 3.14Å; Y73-T75 VanDerWaalsContact C-N 3.29Å; Y73-T75 PolarHBondContact O-N 2.82Å; Y73-I76 PolarHBondContact O-N 2.88Å; Y73-F77 HydrophobicContact CE1-CD2 4.09Å; Y73-F77 WeakPolarHBondContact O-CB 3.48Å; Y73-F77 PolarHBondContact O-N 3.07Å
74L92Very high86.4Confident1 Ų137.6 Ų37.61%0.00520%0.201CC..Hα-helixtrans-59.2-39.6176.5-70.9177.2000112.2W68 D70 M72 F77 I78 L109 F165W68-L74 HydrophobicContact CD2-CD2 4.49Å; W68-L74 HydrophobicContact CE3-CD2 3.49Å; W68-L74 VanDerWaalsContact CE3-CD2 3.49Å; W68-L74 HydrophobicContact CZ3-CD2 4.1Å; D70-L74 WeakPolarHBondContact O-CB 3.11Å; D70-L74 VanDerWaalsContact O-CG 3.27Å; D70-L74 WeakPolarHBondContact O-CG 3.21Å; D70-L74 PolarHBondContact O-N 3.24Å; M72-L74 VanDerWaalsContact C-N 3.35Å; L74-F77 PolarHBondContact O-N 3.28Å; L74-I78 WeakPolarHBondContact O-CG2 3.46Å; L74-I78 PolarHBondContact O-N 3.48Å; L74-L109 HydrophobicContact CB-CD1 4.44Å; L74-L109 HydrophobicContact CD1-CD2 4.27Å; L74-L109 HydrophobicContact CD2-CD2 3.86Å; L74-F165 HydrophobicContact CB-CE1 3.56Å; L74-F165 HydrophobicContact CB-CZ 4.13Å; L74-F165 HydrophobicContact CD1-CE1 4.45Å; L74-F165 HydrophobicContact CD1-CZ 4.2Å
75T94.4Very high86.3Confident4 Ų437.8 Ų37.83%0.02520%0.204CC..Hα-helixtrans-63-48.8175.9-63.40000111.4L30 E71 M72 Y73 F77 I78 R79 P164L30-T75 HydrophobicContact CD1-CG2 4.01Å; L30-T75 HydrophobicContact CD2-CG2 4.34Å; E71-T75 VanDerWaalsContact O-CB 3.32Å; E71-T75 WeakPolarHBondContact O-CB 3.15Å; E71-T75 PolarHBondContact O-N 3.46Å; E71-T75 PolarHBondContact O-OG1 3.24Å; M72-T75 WeakPolarHBondContact O-CB 3.41Å; M72-T75 PolarHBondContact O-N 2.71Å; Y73-T75 VanDerWaalsContact C-N 3.29Å; Y73-T75 PolarHBondContact O-N 2.82Å; T75-F77 VanDerWaalsContact C-N 3.31Å; T75-F77 PolarHBondContact O-N 3.43Å; T75-I78 WeakPolarHBondContact O-CG2 3.21Å; T75-R79 WeakPolarHBondContact O-CB 3.43Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 3.09Å; T75-R79 VanDerWaalsContact O-N 3.09Å; T75-P164 WeakPolarHBondContact CG2-O 3.44Å
76I92.1Very high86.2Confident0 Ų032.1 Ų32.10%017%0.171CC..Hα-helixtrans-59-46.4176.3-66.9168.2000110C26 W29 L30 L33 Y57 A60 I61 L64 M72 Y73 R79 R80C26-I76 HydrophobicContact CB-CD1 4.47Å; W29-I76 HydrophobicContact CB-CD1 3.84Å; L30-I76 HydrophobicContact CB-CD1 4.42Å; L30-I76 HydrophobicContact CB-CG1 4.45Å; L30-I76 HydrophobicContact CD1-CG1 4.05Å; L33-I76 HydrophobicContact CD1-CD1 4.42Å; L33-I76 HydrophobicContact CD1-CG1 4.05Å; L33-I76 HydrophobicContact CD1-CG2 3.99Å; Y57-I76 HydrophobicContact CD1-CG2 3.92Å; Y57-I76 WeakPolarHBondContact CD1-O 3.44Å; Y57-I76 HydrophobicContact CE1-CG2 4.44Å; A60-I76 HydrophobicContact CB-CG2 4.06Å; I61-I76 HydrophobicContact CG1-CG2 4.12Å; L64-I76 HydrophobicContact CD1-CD1 3.88Å; M72-I76 WeakPolarHBondContact O-CG1 3.33Å; M72-I76 PolarHBondContact O-N 3.24Å; Y73-I76 PolarHBondContact O-N 2.88Å; I76-R79 PolarHBondContact O-N 2.93Å; I76-R80 PolarHBondContact O-N 3.28Å; I76-R80 VanDerWaalsContact O-N 3.09Å
77F91.8Very high85.7Confident14 Ų1430.5 Ų30.56%0.06116%0.158CC..Hα-helixtrans-65.4-47.4-176.7-159.2-72.6000112.3I61 W68 Y73 L74 T75 R79 R80 A81 L95 L98 C99I61-F77 HydrophobicContact CD1-CD2 3.75Å; I61-F77 HydrophobicContact CD1-CE2 4.17Å; I61-F77 HydrophobicContact CD1-CG 4.26Å; I61-F77 HydrophobicContact CG1-CD2 4.34Å; I61-F77 HydrophobicContact CG2-CD2 4.49Å; I61-F77 HydrophobicContact CG2-CE2 4.47Å; W68-F77 HydrophobicContact CH2-CD1 4.02Å; W68-F77 AromaticContact CH2-CD2 3.82Å; W68-F77 HydrophobicContact CH2-CD2 3.82Å; W68-F77 AromaticContact CH2-CE1 3.85Å; W68-F77 HydrophobicContact CH2-CE1 3.85Å; W68-F77 AromaticContact CH2-CE2 3.66Å; W68-F77 HydrophobicContact CH2-CE2 3.66Å; W68-F77 HydrophobicContact CH2-CG 4.01Å; W68-F77 AromaticContact CH2-CZ 3.68Å; W68-F77 HydrophobicContact CH2-CZ 3.68Å; W68-F77 HydrophobicContact CZ2-CD2 4.48Å; W68-F77 HydrophobicContact CZ2-CE2 4.14Å; W68-F77 HydrophobicContact CZ2-CZ 4.37Å; W68-F77 HydrophobicContact CZ3-CD1 4.25Å; W68-F77 HydrophobicContact CZ3-CD2 4.39Å; W68-F77 HydrophobicContact CZ3-CE1 4.46Å; W68-F77 HydrophobicContact CZ3-CG 4.21Å; Y73-F77 HydrophobicContact CE1-CD2 4.09Å; Y73-F77 WeakPolarHBondContact O-CB 3.48Å; Y73-F77 PolarHBondContact O-N 3.07Å; L74-F77 PolarHBondContact O-N 3.28Å; T75-F77 VanDerWaalsContact C-N 3.31Å; T75-F77 PolarHBondContact O-N 3.43Å; F77-R79 VanDerWaalsContact C-N 3.33Å; F77-R79 PolarHBondContact O-N 3.01Å; F77-R80 WeakPolarHBondContact O-CB 3.31Å; F77-R80 PolarHBondContact O-N 2.98Å; F77-A81 PolarHBondContact O-N 3.19Å; F77-L95 HydrophobicContact CE1-CB 4.16Å; F77-L95 HydrophobicContact CE1-CD2 4.03Å; F77-L95 HydrophobicContact CZ-CD2 3.91Å; F77-L98 HydrophobicContact CE1-CB 4.1Å; F77-L98 HydrophobicContact CZ-CB 4.18Å; F77-L98 HydrophobicContact CZ-CD1 4Å; F77-C99 WeakPolarHBondContact CD1-SG 3.2Å
78I92.7Very high84.7Confident0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-66.7-36.9-179.7-163.4167.3000111.2L74 T75 R80 A81 V82 L96 L109 A112 V113 Y116 F165L74-I78 WeakPolarHBondContact O-CG2 3.46Å; L74-I78 PolarHBondContact O-N 3.48Å; T75-I78 WeakPolarHBondContact O-CG2 3.21Å; I78-R80 VanDerWaalsContact C-N 3.33Å; I78-R80 PolarHBondContact O-N 2.82Å; I78-A81 WeakPolarHBondContact O-CB 3.32Å; I78-A81 PolarHBondContact O-N 3.29Å; I78-A81 VanDerWaalsContact O-N 3.15Å; I78-V82 HydrophobicContact CG1-CG2 4.14Å; I78-V82 WeakPolarHBondContact O-CB 3.41Å; I78-V82 WeakPolarHBondContact O-CG2 3.36Å; I78-V82 PolarHBondContact O-N 2.86Å; I78-L96 HydrophobicContact CG1-CD2 4.26Å; I78-L109 HydrophobicContact CB-CD1 4.28Å; I78-L109 HydrophobicContact CD1-CD1 3.76Å; I78-A112 HydrophobicContact CD1-CB 3.72Å; I78-V113 HydrophobicContact CD1-CG2 3.99Å; I78-Y116 HydrophobicContact CD1-CD2 4.06Å; I78-Y116 HydrophobicContact CD1-CE2 3.77Å; I78-Y116 HydrophobicContact CG1-CD2 4.34Å; I78-Y116 HydrophobicContact CG1-CE2 4.05Å; I78-F165 HydrophobicContact CD1-CB 4.36Å; I78-F165 HydrophobicContact CG2-CB 4.3Å; I78-F165 HydrophobicContact CG2-CD1 4.06Å
79R93.2Very high83.6Confident36 Ų3632.5 Ų32.514%0.13618%0.176CC..Hα-helixtrans-60.7-42.6174.1-71.1-174.5-178.7-170.31.9111.9N34 Y57 T75 I76 F77 V82 L83 Y167N34-R79 PolarHBondContact OD1-NH1 2.89Å; Y57-R79 HydrophobicContact CD1-CB 4.25Å; Y57-R79 HydrophobicContact CE1-CB 3.46Å; Y57-R79 VanDerWaalsContact CE1-CB 3.46Å; Y57-R79 HydrophobicContact CE1-CG 4.39Å; Y57-R79 WeakPolarHBondContact OH-CD 3.45Å; T75-R79 WeakPolarHBondContact O-CB 3.43Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 3.09Å; T75-R79 VanDerWaalsContact O-N 3.09Å; I76-R79 PolarHBondContact O-N 2.93Å; F77-R79 VanDerWaalsContact C-N 3.33Å; F77-R79 PolarHBondContact O-N 3.01Å; R79-V82 PolarHBondContact O-N 3.3Å; R79-L83 WeakPolarHBondContact O-CB 3.32Å; R79-L83 WeakPolarHBondContact O-CG 3.41Å; R79-L83 PolarHBondContact O-N 3.47Å; R79-Y167 HydrophobicContact CB-CD1 4.27Å; R79-Y167 HydrophobicContact CB-CD2 4.25Å; R79-Y167 HydrophobicContact CB-CE1 4.46Å; R79-Y167 HydrophobicContact CB-CE2 4.43Å; R79-Y167 HydrophobicContact CB-CG 4.15Å; R79-Y167 HydrophobicContact CG-CD1 4.18Å; R79-Y167 HydrophobicContact CG-CD2 3.54Å; R79-Y167 HydrophobicContact CG-CE2 4.11Å; R79-Y167 HydrophobicContact CG-CG 3.57Å
80R90Very high82.3Confident40 Ų4029.8 Ų29.815%0.15115%0.152CC..Hα-helixtrans-60.1-47.2171.8-168.2-179.5175.1-94.91.2111.7L54 Y57 E58 I61 I76 F77 I78 V82 L83 A84L54-R80 HydrophobicContact CD2-CG 4.41Å; Y57-R80 HydrophobicContact CD1-CB 4.27Å; Y57-R80 HydrophobicContact CG-CB 4.19Å; E58-R80 VanDerWaalsContact CD-NH2 3.34Å; E58-R80 IonicContact OE1-NH2 2.77Å; E58-R80 IonicContact OE2-CZ 3.94Å; E58-R80 IonicContact OE2-NE 3.29Å; E58-R80 IonicContact OE2-NH2 2.56Å; E58-R80 PolarHBondContact OE2-NH2 3.32Å; I61-R80 HydrophobicContact CD1-CB 4.2Å; I61-R80 HydrophobicContact CD1-CG 4.4Å; I76-R80 PolarHBondContact O-N 3.28Å; I76-R80 VanDerWaalsContact O-N 3.09Å; F77-R80 WeakPolarHBondContact O-CB 3.31Å; F77-R80 PolarHBondContact O-N 2.98Å; I78-R80 VanDerWaalsContact C-N 3.33Å; I78-R80 PolarHBondContact O-N 2.82Å; R80-V82 VanDerWaalsContact C-N 3.28Å; R80-V82 PolarHBondContact O-N 3.48Å; R80-L83 PolarHBondContact O-N 3.4Å; R80-A84 VanDerWaalsContact O-CB 3.22Å; R80-A84 WeakPolarHBondContact O-CB 3.47Å; R80-A84 PolarHBondContact O-N 2.94Å
81A87.1Confident81.3Confident0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-58.4-43.4179.400000111.8F77 I78 S85 G92 L95 L96F77-A81 PolarHBondContact O-N 3.19Å; I78-A81 WeakPolarHBondContact O-CB 3.32Å; I78-A81 PolarHBondContact O-N 3.29Å; I78-A81 VanDerWaalsContact O-N 3.15Å; A81-S85 PolarHBondContact O-N 2.89Å; A81-S85 PolarHBondContact O-OG 3.13Å; A81-G92 WeakPolarHBondContact O-CA 3.31Å; A81-L95 HydrophobicContact CB-CB 3.39Å; A81-L95 HydrophobicContact CB-CD1 4.47Å; A81-L96 HydrophobicContact CB-CD2 3.92Å; A81-L96 HydrophobicContact CB-CG 4.08Å
82V89.4Confident80.3Confident1 Ų124 Ų241%0.00613%0.127CC..Hα-helixtrans-66.8-54.5178.5175.70000109.9I78 R79 R80 A84 S85 Y86 L96 Y116 Y167 P169I78-V82 HydrophobicContact CG1-CG2 4.14Å; I78-V82 WeakPolarHBondContact O-CB 3.41Å; I78-V82 WeakPolarHBondContact O-CG2 3.36Å; I78-V82 PolarHBondContact O-N 2.86Å; R79-V82 PolarHBondContact O-N 3.3Å; R80-V82 VanDerWaalsContact C-N 3.28Å; R80-V82 PolarHBondContact O-N 3.48Å; V82-A84 VanDerWaalsContact C-N 3.26Å; V82-A84 PolarHBondContact O-N 3.4Å; V82-S85 WeakPolarHBondContact O-CA 3.36Å; V82-S85 WeakPolarHBondContact O-CB 3.5Å; V82-S85 PolarHBondContact O-N 3.23Å; V82-Y86 HydrophobicContact CG1-CD2 4.02Å; V82-Y86 HydrophobicContact CG1-CE2 3.49Å; V82-Y86 VanDerWaalsContact CG1-CE2 3.49Å; V82-Y86 WeakPolarHBondContact O-CD2 3.18Å; V82-Y86 PolarHBondContact O-N 2.78Å; V82-L96 HydrophobicContact CG2-CD2 4.35Å; V82-Y116 HydrophobicContact CB-CE1 4.36Å; V82-Y116 HydrophobicContact CG1-CD1 3.99Å; V82-Y116 HydrophobicContact CG1-CE1 3.73Å; V82-Y116 HydrophobicContact CG2-CD1 3.69Å; V82-Y116 HydrophobicContact CG2-CD2 3.42Å; V82-Y116 VanDerWaalsContact CG2-CD2 3.42Å; V82-Y116 HydrophobicContact CG2-CE1 3.59Å; V82-Y116 HydrophobicContact CG2-CE2 3.34Å; V82-Y116 HydrophobicContact CG2-CG 3.63Å; V82-Y116 VanDerWaalsContact CG2-CZ 3.43Å; V82-Y167 HydrophobicContact CB-CD1 3.88Å; V82-Y167 HydrophobicContact CG1-CD1 3.65Å; V82-Y167 HydrophobicContact CG1-CE1 4.28Å; V82-P169 HydrophobicContact CG1-CG 4.46Å
83L85.8Confident79.2Confident1 Ų122.5 Ų22.51%0.00512%0.121CC..Hα-helixtrans-51.6-44.9174.9-78.7179.8000112.6T50 L53 L54 Y57 R79 R80 S85 Y86 E87 Y167 P169T50-L83 HydrophobicContact CG2-CB 4.43Å; T50-L83 HydrophobicContact CG2-CD2 4Å; L53-L83 HydrophobicContact CB-CD1 3.75Å; L53-L83 HydrophobicContact CD1-CD1 4.43Å; L54-L83 HydrophobicContact CD2-CB 3.78Å; L54-L83 HydrophobicContact CG-CB 4.38Å; Y57-L83 HydrophobicContact CD2-CD1 3.52Å; Y57-L83 HydrophobicContact CE2-CD1 3.45Å; Y57-L83 VanDerWaalsContact CE2-CD1 3.45Å; R79-L83 WeakPolarHBondContact O-CB 3.32Å; R79-L83 WeakPolarHBondContact O-CG 3.41Å; R79-L83 PolarHBondContact O-N 3.47Å; R80-L83 PolarHBondContact O-N 3.4Å; L83-S85 PolarHBondContact O-N 3.1Å; L83-Y86 PolarHBondContact O-N 3.07Å; L83-E87 PolarHBondContact O-N 3.29Å; L83-Y167 HydrophobicContact CD1-CE1 4.43Å; L83-Y167 HydrophobicContact CD2-CE1 3.71Å; L83-Y167 WeakPolarHBondContact CD2-OH 3.25Å; L83-Y167 HydrophobicContact CG-CE1 3.61Å; L83-Y167 WeakPolarHBondContact CG-OH 3.46Å; L83-P169 HydrophobicContact CD2-CB 4.21Å; L83-P169 HydrophobicContact CD2-CG 4.25Å
84A81.3Confident78.3Confident6 Ų623.7 Ų23.75%0.0513%0.129CC..Hα-helixtrans-63.7-32.5179.700000111.6L54 R80 V82 Y86 N88 C91 L95L54-A84 HydrophobicContact CD2-CB 3.89Å; R80-A84 VanDerWaalsContact O-CB 3.22Å; R80-A84 WeakPolarHBondContact O-CB 3.47Å; R80-A84 PolarHBondContact O-N 2.94Å; V82-A84 VanDerWaalsContact C-N 3.26Å; V82-A84 PolarHBondContact O-N 3.4Å; A84-Y86 VanDerWaalsContact C-N 3.3Å; A84-Y86 PolarHBondContact O-N 3.03Å; A84-N88 CarbonylContact O-C 3.51Å; A84-N88 PolarHBondContact O-N 2.88Å; A84-C91 HydrophobicContact CB-CB 4.19Å; A84-L95 HydrophobicContact CB-CD1 3.81Å
85S77Confident77.6Confident21 Ų2124.6 Ų24.615%0.14713%0.133CC..Hα-helixtrans-67.7-26.9175.1-52.30000113.3A81 V82 L83 G92 Q120A81-S85 PolarHBondContact O-N 2.89Å; A81-S85 PolarHBondContact O-OG 3.13Å; V82-S85 WeakPolarHBondContact O-CA 3.36Å; V82-S85 WeakPolarHBondContact O-CB 3.5Å; V82-S85 PolarHBondContact O-N 3.23Å; L83-S85 PolarHBondContact O-N 3.1Å; S85-G92 WeakPolarHBondContact OG-CA 3.45Å; S85-Q120 PolarHBondContact OG-NE2 3.01Å
86Y71.8Confident77.2Confident33 Ų3324.4 Ų24.413%0.12913%0.132CC..Hα-helixtrans-82.7-34.7179.2-76.5-88.7000113V82 L83 A84 P169 F173V82-Y86 HydrophobicContact CG1-CD2 4.02Å; V82-Y86 HydrophobicContact CG1-CE2 3.49Å; V82-Y86 VanDerWaalsContact CG1-CE2 3.49Å; V82-Y86 WeakPolarHBondContact O-CD2 3.18Å; V82-Y86 PolarHBondContact O-N 2.78Å; L83-Y86 PolarHBondContact O-N 3.07Å; A84-Y86 VanDerWaalsContact C-N 3.3Å; A84-Y86 PolarHBondContact O-N 3.03Å; Y86-P169 HydrophobicContact CD2-CG 3.47Å; Y86-P169 VanDerWaalsContact CD2-CG 3.47Å; Y86-P169 HydrophobicContact CE1-CG 4.31Å; Y86-P169 HydrophobicContact CE2-CG 3.24Å; Y86-P169 HydrophobicContact CG-CG 4.14Å; Y86-P169 WeakPolarHBondContact OH-CD 3.27Å; Y86-F173 HydrophobicContact CE1-CD1 4.28Å; Y86-F173 AromaticContact CE1-CE1 3.89Å; Y86-F173 HydrophobicContact CE1-CE1 3.89Å; Y86-F173 HydrophobicContact CE1-CE2 4.25Å; Y86-F173 AromaticContact CE1-CZ 3.86Å; Y86-F173 HydrophobicContact CE1-CZ 3.86Å; Y86-F173 HydrophobicContact CE2-CZ 4.4Å; Y86-F173 AromaticContact CZ-CE1 3.9Å; Y86-F173 AromaticContact CZ-CE2 3.92Å; Y86-F173 AromaticContact CZ-CZ 3.46Å; Y86-F173 VanDerWaalsContact CZ-CZ 3.46Å; Y86-F173 WeakPolarHBondContact OH-CE2 3.5Å; Y86-F173 WeakPolarHBondContact OH-CZ 3.31Å
87E66Low76.4Confident55 Ų5525.7 Ų25.726%0.25714%0.141SC..Hα-helixtrans-84.7-38.5177-74.4-71.2142.900113S47 T50 L54 L83S47-E87 WeakPolarHBondContact CA-OE1 3.21Å; T50-E87 VanDerWaalsContact CB-CD 3.44Å; T50-E87 VanDerWaalsContact CB-CG 3.43Å; T50-E87 WeakPolarHBondContact CB-OE1 3.42Å; T50-E87 HydrophobicContact CG2-CG 3.22Å; T50-E87 PolarHBondContact OG1-OE1 2.86Å; L54-E87 HydrophobicContact CD1-CB 4.2Å; L54-E87 HydrophobicContact CD1-CG 4.05Å; L83-E87 PolarHBondContact O-N 3.29Å
88N55.9Low75.5Confident73 Ų7326 Ų2639%0.3914%0.144SC..  trans-134.9121.7-170.4-79.6-59.7000111.2A84 D90 C91A84-N88 CarbonylContact O-C 3.51Å; A84-N88 PolarHBondContact O-N 2.88Å; N88-D90 PolarHBondContact O-N 3.16Å; N88-C91 HydrophobicContact CB-CB 4.41Å
89S55.6Low75.1Confident69 Ų6926 Ų2648%0.48314%0.144SC..THydrogen-bonded Turntrans-59-20.3-177.363.90000114.7P93S89-P93 WeakPolarHBondContact O-CD 3.11Å; S89-P93 WeakPolarHBondContact O-CG 3.35Å
90D54.3Low74.5Confident57 Ų5724.9 Ų24.931%0.30514%0.141SC..THydrogen-bonded Turntrans-109.9-31.9-165-48.3-36.2000113.4N88 V94 S426N88-D90 PolarHBondContact O-N 3.16Å; D90-V94 WeakPolarHBondContact O-CG2 3.21Å; D90-S426 WeakPolarHBondContact OD2-CB 3.11Å; D90-S426 PolarHBondContact OD2-OG 3.4Å
91C63Low73.6Confident28 Ų2823.8 Ų23.819%0.18914%0.138CC..Hα-helixtrans-74.9-40.7-177.5-61.30000111.9A84 N88 V94 L95 L429A84-C91 HydrophobicContact CB-CB 4.19Å; N88-C91 HydrophobicContact CB-CB 4.41Å; C91-V94 PolarHBondContact O-N 3.35Å; C91-L95 WeakPolarHBondContact O-CG 3.13Å; C91-L95 PolarHBondContact O-N 3.07Å; C91-L429 HydrophobicContact CB-CD1 4.43Å; C91-L429 VanDerWaalsContact SG-CD1 3.53Å
92G70Confident72.7Confident0 Ų024 Ų240%014%0.14CC..Hα-helixtrans-58.4-53.8-178.200000114.3A81 S85 V94 L95 L96A81-G92 WeakPolarHBondContact O-CA 3.31Å; S85-G92 WeakPolarHBondContact OG-CA 3.45Å; G92-V94 PolarHBondContact O-N 2.9Å; G92-L95 PolarHBondContact O-N 3.02Å; G92-L95 VanDerWaalsContact O-N 3.13Å; G92-L96 WeakPolarHBondContact O-CG 3.39Å; G92-L96 PolarHBondContact O-N 2.86Å
93P70.5Confident71.7Confident29 Ų2924.1 Ų24.119%0.18814%0.141CC..Hα-helixtrans-57.7-33.3179.2-28.535.9000114.4S89 S97 Y117S89-P93 WeakPolarHBondContact O-CD 3.11Å; S89-P93 WeakPolarHBondContact O-CG 3.35Å; P93-S97 VanDerWaalsContact O-CB 3.31Å; P93-S97 WeakPolarHBondContact O-CB 3.43Å; P93-S97 PolarHBondContact O-N 3.09Å; P93-Y117 PolarHBondContact O-OH 2.79Å
94V69.8Low71Confident30 Ų3026 Ų2618%0.18215%0.148CC..Hα-helixtrans-68.1-47.9176.71700000110.6D90 C91 G92 S97 L98 F413D90-V94 WeakPolarHBondContact O-CG2 3.21Å; C91-V94 PolarHBondContact O-N 3.35Å; G92-V94 PolarHBondContact O-N 2.9Å; V94-S97 CarbonylContact O-C 3.56Å; V94-S97 WeakPolarHBondContact O-CA 3.44Å; V94-S97 WeakPolarHBondContact O-CB 3.4Å; V94-S97 PolarHBondContact O-N 3.48Å; V94-S97 VanDerWaalsContact O-N 3.1Å; V94-L98 PolarHBondContact O-N 3.41Å; V94-F413 HydrophobicContact CB-CE1 4.05Å; V94-F413 HydrophobicContact CB-CZ 4.2Å; V94-F413 HydrophobicContact CG1-CE1 3.67Å; V94-F413 HydrophobicContact CG1-CE2 4.4Å; V94-F413 HydrophobicContact CG1-CZ 3.36Å; V94-F413 HydrophobicContact CG2-CD1 3.86Å; V94-F413 HydrophobicContact CG2-CE1 3.29Å; V94-F413 HydrophobicContact CG2-CZ 3.77Å
95L79.1Confident70.7Confident19 Ų1932.6 Ų32.610%0.09917%0.171CC..Hα-helixtrans-66.3-39.8178.4-64169.5000111.4F77 A81 A84 C91 G92 S97 L98 C99F77-L95 HydrophobicContact CE1-CB 4.16Å; F77-L95 HydrophobicContact CE1-CD2 4.03Å; F77-L95 HydrophobicContact CZ-CD2 3.91Å; A81-L95 HydrophobicContact CB-CB 3.39Å; A81-L95 HydrophobicContact CB-CD1 4.47Å; A84-L95 HydrophobicContact CB-CD1 3.81Å; C91-L95 WeakPolarHBondContact O-CG 3.13Å; C91-L95 PolarHBondContact O-N 3.07Å; G92-L95 PolarHBondContact O-N 3.02Å; G92-L95 VanDerWaalsContact O-N 3.13Å; L95-S97 VanDerWaalsContact C-N 3.26Å; L95-S97 PolarHBondContact O-N 2.78Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 WeakPolarHBondContact O-CB 2.93Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L95-C99 PolarHBondContact O-N 3.15Å
96L84.3Confident71.2Confident0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-61.1-38.1170.6-73.3177.2000111.4I78 A81 V82 G92 L98 C99 S100 V113 Y116 Y117 Q120I78-L96 HydrophobicContact CG1-CD2 4.26Å; A81-L96 HydrophobicContact CB-CD2 3.92Å; A81-L96 HydrophobicContact CB-CG 4.08Å; V82-L96 HydrophobicContact CG2-CD2 4.35Å; G92-L96 WeakPolarHBondContact O-CG 3.39Å; G92-L96 PolarHBondContact O-N 2.86Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.49Å; L96-C99 WeakPolarHBondContact O-CB 3.42Å; L96-C99 PolarHBondContact O-N 3.45Å; L96-S100 PolarHBondContact O-N 3.14Å; L96-V113 HydrophobicContact CB-CG1 4.09Å; L96-V113 HydrophobicContact CD2-CG1 4.4Å; L96-V113 HydrophobicContact CD2-CG2 4.38Å; L96-Y116 HydrophobicContact CD2-CD2 4.11Å; L96-Y116 HydrophobicContact CD2-CG 4.48Å; L96-Y117 HydrophobicContact CB-CE1 3.86Å; L96-Y117 HydrophobicContact CD1-CD1 4.14Å; L96-Y117 HydrophobicContact CD1-CE1 4.01Å; L96-Q120 VanDerWaalsContact CD1-NE2 3.27Å
97S76.1Confident72.1Confident27 Ų2733 Ų3319%0.18918%0.175CC..Hα-helixtrans-61.7-44174.1-159.80000110.5P93 V94 L95 C99 S100 I101 Y117 R125P93-S97 VanDerWaalsContact O-CB 3.31Å; P93-S97 WeakPolarHBondContact O-CB 3.43Å; P93-S97 PolarHBondContact O-N 3.09Å; V94-S97 CarbonylContact O-C 3.56Å; V94-S97 WeakPolarHBondContact O-CA 3.44Å; V94-S97 WeakPolarHBondContact O-CB 3.4Å; V94-S97 PolarHBondContact O-N 3.48Å; V94-S97 VanDerWaalsContact O-N 3.1Å; L95-S97 VanDerWaalsContact C-N 3.26Å; L95-S97 PolarHBondContact O-N 2.78Å; S97-C99 PolarHBondContact O-N 3.36Å; S97-S100 WeakPolarHBondContact CA-OG 3.44Å; S97-S100 PolarHBondContact O-N 3.13Å; S97-S100 VanDerWaalsContact O-N 3.14Å; S97-S100 PolarHBondContact O-OG 3.41Å; S97-I101 WeakPolarHBondContact O-CB 3.19Å; S97-I101 WeakPolarHBondContact O-CD1 3.18Å; S97-I101 WeakPolarHBondContact O-CG1 3.43Å; S97-I101 PolarHBondContact O-N 3.48Å; S97-Y117 WeakPolarHBondContact CA-OH 3.12Å; S97-Y117 PolarHBondContact N-OH 3.37Å; S97-Y117 VanDerWaalsContact N-OH 3.14Å; S97-R125 PolarHBondContact OG-NH2 3.46Å
98L73.8Confident73.5Confident22 Ų2232.7 Ų32.712%0.11517%0.174CC..Hα-helixtrans-60.6-43.2175.1-69.2173.3000111.9W68 F77 V94 L95 L96 S100 I101 N102W68-L98 HydrophobicContact CH2-CB 4.24Å; F77-L98 HydrophobicContact CE1-CB 4.1Å; F77-L98 HydrophobicContact CZ-CB 4.18Å; F77-L98 HydrophobicContact CZ-CD1 4Å; V94-L98 PolarHBondContact O-N 3.41Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 WeakPolarHBondContact O-CB 2.93Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.49Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.34Å; L98-I101 PolarHBondContact O-N 2.82Å; L98-N102 WeakPolarHBondContact O-CB 3.31Å; L98-N102 VanDerWaalsContact O-CG 3.22Å; L98-N102 PolarHBondContact O-N 2.94Å; L98-N102 PolarHBondContact O-ND2 3.41Å
99C84.3Confident75.3Confident0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-56.5-46171.8-68.20000111.7F77 L95 L96 S97 I101 G103 L109 V113F77-C99 WeakPolarHBondContact CD1-SG 3.2Å; L95-C99 PolarHBondContact O-N 3.15Å; L96-C99 WeakPolarHBondContact O-CB 3.42Å; L96-C99 PolarHBondContact O-N 3.45Å; S97-C99 PolarHBondContact O-N 3.36Å; C99-I101 VanDerWaalsContact C-N 3.35Å; C99-I101 PolarHBondContact O-N 3.28Å; C99-G103 WeakPolarHBondContact O-CA 3.19Å; C99-G103 PolarHBondContact O-N 3.44Å; C99-L109 HydrophobicContact CB-CD2 4.27Å; C99-L109 WeakPolarHBondContact O-CD2 2.95Å; C99-V113 HydrophobicContact CB-CG2 3.55Å
100S80.1Confident77.1Confident11 Ų1125.9 Ų25.98%0.07713%0.132CC..Hα-helixtrans-69-31.9-177.569.90000114.4L96 S97 L98 I110L96-S100 PolarHBondContact O-N 3.14Å; S97-S100 WeakPolarHBondContact CA-OG 3.44Å; S97-S100 PolarHBondContact O-N 3.13Å; S97-S100 VanDerWaalsContact O-N 3.14Å; S97-S100 PolarHBondContact O-OG 3.41Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.34Å; S100-I110 WeakPolarHBondContact O-CD1 3.49Å
101I69.7Low79Confident18 Ų1823.2 Ų23.29%0.09212%0.118CC..Hα-helixtrans-71.9-54.3177.1-73167.5000108S97 L98 C99 D403S97-I101 WeakPolarHBondContact O-CB 3.19Å; S97-I101 WeakPolarHBondContact O-CD1 3.18Å; S97-I101 WeakPolarHBondContact O-CG1 3.43Å; S97-I101 PolarHBondContact O-N 3.48Å; L98-I101 PolarHBondContact O-N 2.82Å; C99-I101 VanDerWaalsContact C-N 3.35Å; C99-I101 PolarHBondContact O-N 3.28Å; I101-D403 HydrophobicContact CB-CB 4.24Å; I101-D403 HydrophobicContact CG1-CB 4.3Å; I101-D403 HydrophobicContact CG2-CB 3.47Å; I101-D403 VanDerWaalsContact CG2-CB 3.47Å; I101-D403 WeakPolarHBondContact CG2-OD2 3.17Å
102N69.1Low80.5Confident5 Ų521.9 Ų21.93%0.02711%0.109CC..Hα-helixtrans-87.6-28.1-165-55.9-31.4000113.9W68 L98 Y466 G467W68-N102 HydrophobicContact CB-CB 4.06Å; W68-N102 HydrophobicContact CD2-CB 3.11Å; W68-N102 VanDerWaalsContact CE2-CB 3.46Å; W68-N102 HydrophobicContact CE3-CB 3.32Å; W68-N102 HydrophobicContact CG-CB 3.42Å; W68-N102 VanDerWaalsContact CG-CB 3.42Å; W68-N102 HydrophobicContact CH2-CB 4.18Å; W68-N102 VanDerWaalsContact CH2-ND2 3.32Å; W68-N102 WeakPolarHBondContact CH2-ND2 3.47Å; W68-N102 HydrophobicContact CZ2-CB 4.01Å; W68-N102 WeakPolarHBondContact CZ2-ND2 3.17Å; W68-N102 HydrophobicContact CZ3-CB 3.86Å; L98-N102 WeakPolarHBondContact O-CB 3.31Å; L98-N102 VanDerWaalsContact O-CG 3.22Å; L98-N102 PolarHBondContact O-N 2.94Å; L98-N102 PolarHBondContact O-ND2 3.41Å; N102-Y466 WeakPolarHBondContact OD1-CA 3.3Å; N102-G467 VanDerWaalsContact CG-N 3.34Å; N102-G467 WeakPolarHBondContact OD1-CA 3.46Å; N102-G467 PolarHBondContact OD1-N 2.97Å
103G68.3Low81.6Confident3 Ų321.9 Ų21.93%0.03111%0.109CC..THydrogen-bonded Turntrans-101.927.217700000113.5C99 R105 N106C99-G103 WeakPolarHBondContact O-CA 3.19Å; C99-G103 PolarHBondContact O-N 3.44Å; G103-R105 PolarHBondContact O-N 2.93Å; G103-R105 VanDerWaalsContact O-N 3.12Å; G103-N106 WeakPolarHBondContact O-CA 3.44Å; G103-N106 WeakPolarHBondContact O-CB 3.09Å; G103-N106 PolarHBondContact O-N 3.49Å
104R71.4Confident82.6Confident40 Ų4020.5 Ų20.515%0.15110%0.1CC..THydrogen-bonded Turntrans-59.1-24.5-177.2-163.1176.2-178.4103.14.6114.5N106 S132 T133 C136R104-N106 VanDerWaalsContact C-N 3.3Å; R104-S132 PolarHBondContact NH2-O 2.86Å; R104-S132 PolarHBondContact NH2-OG 3.5Å; R104-T133 HydrophobicContact CG-CG2 4.3Å; R104-C136 PolarHBondContact NE-SG 2.94Å; R104-C136 VanDerWaalsContact NE-SG 3.44Å
105R73.9Confident83.8Confident145 Ų14520 Ų2055%0.54710%0.095SC..THydrogen-bonded Turntrans-77.2-14.1173.8-66-179.6176.1-152.7-14113.4G103 P107 N346 Y466G103-R105 PolarHBondContact O-N 2.93Å; G103-R105 VanDerWaalsContact O-N 3.12Å; R105-P107 WeakPolarHBondContact O-CD 3.4Å; R105-N346 PolarHBondContact NH2-OD1 2.89Å; R105-Y466 PolarHBondContact NE-OH 3.41Å; R105-Y466 VanDerWaalsContact NE-OH 3.1Å; R105-Y466 PolarHBondContact NH2-OH 3.04Å
106N88Confident84.3Confident38 Ų3819.2 Ų19.220%0.2039%0.091CC..  trans-98.195.1177.4-172.6-35.7000109G103 R104 Q108 L109 I110G103-N106 WeakPolarHBondContact O-CA 3.44Å; G103-N106 WeakPolarHBondContact O-CB 3.09Å; G103-N106 PolarHBondContact O-N 3.49Å; R104-N106 VanDerWaalsContact C-N 3.3Å; N106-Q108 PolarHBondContact O-N 3.42Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.36Å; N106-Q108 PolarHBondContact OD1-N 2.92Å; N106-Q108 VanDerWaalsContact OD1-N 3.11Å; N106-L109 HydrophobicContact CB-CB 3.91Å; N106-L109 PolarHBondContact O-N 3.39Å; N106-L109 PolarHBondContact OD1-N 2.85Å; N106-I110 WeakPolarHBondContact O-CG1 3.44Å; N106-I110 PolarHBondContact O-N 3.15Å; N106-I110 VanDerWaalsContact O-N 3.09Å
107P91.3Very high84.5Confident24 Ų2419.3 Ų19.316%0.1569%0.091CC..Hα-helixtrans-60.2-30.2-178.524.6-34.5000112.2R105 I110 A111 V137 L144 L145R105-P107 WeakPolarHBondContact O-CD 3.4Å; P107-I110 PolarHBondContact O-N 3.27Å; P107-A111 WeakPolarHBondContact O-CB 3.19Å; P107-A111 PolarHBondContact O-N 3.46Å; P107-V137 HydrophobicContact CB-CG1 4.44Å; P107-L144 HydrophobicContact CB-CD2 4.39Å; P107-L145 HydrophobicContact CB-CD1 4.39Å; P107-L145 HydrophobicContact CB-CD2 4.28Å; P107-L145 HydrophobicContact CB-CG 4.09Å; P107-L145 VanDerWaalsContact O-CD2 3.32Å; P107-L145 WeakPolarHBondContact O-CD2 3.41Å
108Q94.5Very high85.1Confident48 Ų4819.5 Ų19.522%0.2249%0.088CC..Hα-helixtrans-70.1-41.7178.3-163178.327.300112.3N106 I110 A111 A112 L144 L161 F165N106-Q108 PolarHBondContact O-N 3.42Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.36Å; N106-Q108 PolarHBondContact OD1-N 2.92Å; N106-Q108 VanDerWaalsContact OD1-N 3.11Å; Q108-I110 VanDerWaalsContact C-N 3.32Å; Q108-I110 PolarHBondContact O-N 2.87Å; Q108-A111 WeakPolarHBondContact O-CB 3.33Å; Q108-A111 PolarHBondContact O-N 3.31Å; Q108-A112 PolarHBondContact O-N 3.13Å; Q108-L144 HydrophobicContact CB-CD1 4.15Å; Q108-L144 HydrophobicContact CG-CD1 4.43Å; Q108-L161 WeakPolarHBondContact CG-O 3.4Å; Q108-L161 PolarHBondContact NE2-O 3.32Å; Q108-F165 HydrophobicContact CB-CD2 4.24Å; Q108-F165 HydrophobicContact CB-CE2 4.22Å; Q108-F165 HydrophobicContact CG-CD2 4.09Å; Q108-F165 HydrophobicContact CG-CE2 4.43Å
109L93.8Very high85.7Confident0 Ų021.9 Ų21.90%010%0.098CC..Hα-helixtrans-61.8-42.9172.1-178.275.2000110.8L74 I78 C99 N106 A111 A112 V113 F165L74-L109 HydrophobicContact CB-CD1 4.44Å; L74-L109 HydrophobicContact CD1-CD2 4.27Å; L74-L109 HydrophobicContact CD2-CD2 3.86Å; I78-L109 HydrophobicContact CB-CD1 4.28Å; I78-L109 HydrophobicContact CD1-CD1 3.76Å; C99-L109 HydrophobicContact CB-CD2 4.27Å; C99-L109 WeakPolarHBondContact O-CD2 2.95Å; N106-L109 HydrophobicContact CB-CB 3.91Å; N106-L109 PolarHBondContact O-N 3.39Å; N106-L109 PolarHBondContact OD1-N 2.85Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A112 CarbonylContact O-C 3.5Å; L109-A112 WeakPolarHBondContact O-CA 3.46Å; L109-A112 WeakPolarHBondContact O-CB 3.36Å; L109-A112 PolarHBondContact O-N 3.01Å; L109-A112 VanDerWaalsContact O-N 3.07Å; L109-V113 WeakPolarHBondContact O-CG2 3.44Å; L109-V113 PolarHBondContact O-N 3.43Å; L109-F165 HydrophobicContact CB-CD2 4.04Å; L109-F165 HydrophobicContact CB-CE2 3.88Å; L109-F165 HydrophobicContact CB-CG 4.49Å; L109-F165 HydrophobicContact CB-CZ 4.22Å; L109-F165 HydrophobicContact CD1-CD1 3.66Å; L109-F165 HydrophobicContact CD1-CD2 4.26Å; L109-F165 HydrophobicContact CD1-CE1 3.87Å; L109-F165 HydrophobicContact CD1-CE2 4.44Å; L109-F165 HydrophobicContact CD1-CG 3.87Å; L109-F165 HydrophobicContact CD1-CZ 4.25Å
110I93.3Very high85.5Confident0 Ų025.3 Ų25.30%011%0.114CC..Hα-helixtrans-65.9-39.8179.9-64.3-69000111.4S100 N106 P107 Q108 A112 V113 A114 L129 L130 T133 L145S100-I110 WeakPolarHBondContact O-CD1 3.49Å; N106-I110 WeakPolarHBondContact O-CG1 3.44Å; N106-I110 PolarHBondContact O-N 3.15Å; N106-I110 VanDerWaalsContact O-N 3.09Å; P107-I110 PolarHBondContact O-N 3.27Å; Q108-I110 VanDerWaalsContact C-N 3.32Å; Q108-I110 PolarHBondContact O-N 2.87Å; I110-A112 PolarHBondContact O-N 2.82Å; I110-V113 PolarHBondContact O-N 2.54Å; I110-A114 WeakPolarHBondContact O-CB 3.29Å; I110-A114 PolarHBondContact O-N 2.76Å; I110-L129 HydrophobicContact CD1-CD1 4.25Å; I110-L129 HydrophobicContact CG2-CD1 4.15Å; I110-L129 HydrophobicContact CG2-CD2 4.12Å; I110-L129 HydrophobicContact CG2-CG 3.8Å; I110-L130 HydrophobicContact CG2-CD2 4.41Å; I110-T133 HydrophobicContact CB-CG2 4.25Å; I110-T133 HydrophobicContact CG1-CG2 4.03Å; I110-T133 HydrophobicContact CG2-CG2 3.94Å; I110-L145 HydrophobicContact CB-CD2 4.17Å; I110-L145 HydrophobicContact CG2-CD2 3.94Å
111A94.6Very high85.6Confident1 Ų127.6 Ų27.61%0.00814%0.139CC..Hα-helixtrans-57.7-40.7170.200000111.3P107 Q108 L109 A114 Y115 L144 L145 A148 L162P107-A111 WeakPolarHBondContact O-CB 3.19Å; P107-A111 PolarHBondContact O-N 3.46Å; Q108-A111 WeakPolarHBondContact O-CB 3.33Å; Q108-A111 PolarHBondContact O-N 3.31Å; L109-A111 VanDerWaalsContact C-N 3.35Å; A111-A114 PolarHBondContact O-N 2.96Å; A111-Y115 WeakPolarHBondContact O-CB 3.35Å; A111-Y115 PolarHBondContact O-N 2.83Å; A111-L144 HydrophobicContact CB-CD2 3.68Å; A111-L145 HydrophobicContact CB-CD2 4.36Å; A111-A148 HydrophobicContact CB-CB 3.66Å; A111-L162 HydrophobicContact CB-CD2 3.56Å
112A95Very high86.3Confident0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-67-45.8177.500000112.2I78 Q108 L109 I110 A114 Y115 Y116 L162 F165I78-A112 HydrophobicContact CD1-CB 3.72Å; Q108-A112 PolarHBondContact O-N 3.13Å; L109-A112 CarbonylContact O-C 3.5Å; L109-A112 WeakPolarHBondContact O-CA 3.46Å; L109-A112 WeakPolarHBondContact O-CB 3.36Å; L109-A112 PolarHBondContact O-N 3.01Å; L109-A112 VanDerWaalsContact O-N 3.07Å; I110-A112 PolarHBondContact O-N 2.82Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 3.32Å; A112-Y115 WeakPolarHBondContact O-CB 3.09Å; A112-Y115 PolarHBondContact O-N 3.24Å; A112-Y116 HydrophobicContact CB-CE2 4.2Å; A112-Y116 WeakPolarHBondContact O-CD2 3.35Å; A112-Y116 PolarHBondContact O-N 3.42Å; A112-L162 HydrophobicContact CB-CB 4.39Å; A112-L162 HydrophobicContact CB-CD1 3.94Å; A112-L162 HydrophobicContact CB-CD2 4.01Å; A112-L162 HydrophobicContact CB-CG 4.33Å; A112-F165 HydrophobicContact CB-CB 3.55Å
113V92.6Very high87.1Confident0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-61.3-42.6176.3176.40000111.3I78 L96 C99 L109 I110 Y115 Y116 Y117 L129I78-V113 HydrophobicContact CD1-CG2 3.99Å; L96-V113 HydrophobicContact CB-CG1 4.09Å; L96-V113 HydrophobicContact CD2-CG1 4.4Å; L96-V113 HydrophobicContact CD2-CG2 4.38Å; C99-V113 HydrophobicContact CB-CG2 3.55Å; L109-V113 WeakPolarHBondContact O-CG2 3.44Å; L109-V113 PolarHBondContact O-N 3.43Å; I110-V113 PolarHBondContact O-N 2.54Å; V113-Y115 VanDerWaalsContact C-N 3.35Å; V113-Y116 PolarHBondContact O-N 3.4Å; V113-Y117 HydrophobicContact CG1-CD2 3.84Å; V113-Y117 HydrophobicContact CG1-CE2 3.47Å; V113-Y117 VanDerWaalsContact CG1-CE2 3.47Å; V113-Y117 PolarHBondContact O-N 2.73Å; V113-L129 HydrophobicContact CB-CD2 3.96Å; V113-L129 HydrophobicContact CG1-CD2 3.64Å
114A92.3Very high87.7Confident0 Ų040.8 Ų40.80%021%0.205CC..Hα-helixtrans-62.4-42.2175.700000111.9I110 A111 A112 Y116 Y117 F118 A126 L129 L130I110-A114 WeakPolarHBondContact O-CB 3.29Å; I110-A114 PolarHBondContact O-N 2.76Å; A111-A114 PolarHBondContact O-N 2.96Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 3.32Å; A114-Y116 VanDerWaalsContact C-N 3.35Å; A114-Y116 PolarHBondContact O-N 3.15Å; A114-Y117 PolarHBondContact O-N 2.92Å; A114-F118 WeakPolarHBondContact O-CB 3.42Å; A114-F118 PolarHBondContact O-N 3.05Å; A114-A126 HydrophobicContact CB-CB 4.25Å; A114-A126 WeakPolarHBondContact O-CB 3.41Å; A114-L129 HydrophobicContact CB-CD2 4.42Å; A114-L130 HydrophobicContact CB-CD1 4.03Å; A114-L130 HydrophobicContact CB-CD2 3.56Å; A114-L130 HydrophobicContact CB-CG 3.6Å
115Y93.4Very high88.2Confident18 Ų1843.4 Ų43.47%0.07122%0.215CC..Hα-helixtrans-57.3-45.1173.1168-99.8000112A111 A112 V113 F118 K119 F158 L162 Y166A111-Y115 WeakPolarHBondContact O-CB 3.35Å; A111-Y115 PolarHBondContact O-N 2.83Å; A112-Y115 WeakPolarHBondContact O-CB 3.09Å; A112-Y115 PolarHBondContact O-N 3.24Å; V113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-F118 WeakPolarHBondContact O-CB 3.48Å; Y115-F118 PolarHBondContact O-N 2.86Å; Y115-K119 HydrophobicContact CD2-CG 4.37Å; Y115-K119 HydrophobicContact CE1-CG 4.16Å; Y115-K119 HydrophobicContact CE2-CD 4.29Å; Y115-K119 HydrophobicContact CE2-CG 3.95Å; Y115-K119 VanDerWaalsContact CZ-CE 3.49Å; Y115-K119 WeakPolarHBondContact O-CG 3.43Å; Y115-K119 PolarHBondContact O-N 3.29Å; Y115-K119 WeakPolarHBondContact OH-CE 3.29Å; Y115-F158 HydrophobicContact CD2-CB 4.11Å; Y115-F158 AromaticContact CD2-CD1 3.53Å; Y115-F158 HydrophobicContact CD2-CD1 3.53Å; Y115-F158 AromaticContact CD2-CD2 3.62Å; Y115-F158 HydrophobicContact CD2-CD2 3.62Å; Y115-F158 AromaticContact CD2-CE1 3.73Å; Y115-F158 HydrophobicContact CD2-CE1 3.73Å; Y115-F158 AromaticContact CD2-CE2 3.81Å; Y115-F158 HydrophobicContact CD2-CE2 3.81Å; Y115-F158 AromaticContact CD2-CG 3.45Å; Y115-F158 HydrophobicContact CD2-CG 3.45Å; Y115-F158 VanDerWaalsContact CD2-CG 3.45Å; Y115-F158 AromaticContact CD2-CZ 3.86Å; Y115-F158 HydrophobicContact CD2-CZ 3.86Å; Y115-F158 HydrophobicContact CE2-CB 3.93Å; Y115-F158 HydrophobicContact CE2-CD1 4.16Å; Y115-F158 AromaticContact CE2-CD2 3.51Å; Y115-F158 HydrophobicContact CE2-CD2 3.51Å; Y115-F158 HydrophobicContact CE2-CE2 4Å; Y115-F158 AromaticContact CE2-CG 3.59Å; Y115-F158 HydrophobicContact CE2-CG 3.59Å; Y115-F158 HydrophobicContact CG-CD1 4.01Å; Y115-F158 HydrophobicContact CG-CE1 4.32Å; Y115-F158 HydrophobicContact CG-CG 4.23Å; Y115-L162 HydrophobicContact CD1-CD1 3.79Å; Y115-L162 HydrophobicContact CG-CD1 3.85Å; Y115-Y166 HydrophobicContact CE1-CE2 4.23Å
116Y90.8Very high88.8Confident3 Ų336.5 Ų36.51%0.01219%0.189CC..Hα-helixtrans-70.2-37.1177.9-63.8-60.7000113.4I78 V82 L96 A112 V113 A114 F118 K119 Q120 F165 Y167I78-Y116 HydrophobicContact CD1-CD2 4.06Å; I78-Y116 HydrophobicContact CD1-CE2 3.77Å; I78-Y116 HydrophobicContact CG1-CD2 4.34Å; I78-Y116 HydrophobicContact CG1-CE2 4.05Å; V82-Y116 HydrophobicContact CB-CE1 4.36Å; V82-Y116 HydrophobicContact CG1-CD1 3.99Å; V82-Y116 HydrophobicContact CG1-CE1 3.73Å; V82-Y116 HydrophobicContact CG2-CD1 3.69Å; V82-Y116 HydrophobicContact CG2-CD2 3.42Å; V82-Y116 VanDerWaalsContact CG2-CD2 3.42Å; V82-Y116 HydrophobicContact CG2-CE1 3.59Å; V82-Y116 HydrophobicContact CG2-CE2 3.34Å; V82-Y116 HydrophobicContact CG2-CG 3.63Å; V82-Y116 VanDerWaalsContact CG2-CZ 3.43Å; L96-Y116 HydrophobicContact CD2-CD2 4.11Å; L96-Y116 HydrophobicContact CD2-CG 4.48Å; A112-Y116 HydrophobicContact CB-CE2 4.2Å; A112-Y116 WeakPolarHBondContact O-CD2 3.35Å; A112-Y116 PolarHBondContact O-N 3.42Å; V113-Y116 PolarHBondContact O-N 3.4Å; A114-Y116 VanDerWaalsContact C-N 3.35Å; A114-Y116 PolarHBondContact O-N 3.15Å; Y116-F118 VanDerWaalsContact C-N 3.29Å; Y116-F118 PolarHBondContact O-N 3.16Å; Y116-K119 PolarHBondContact O-N 2.98Å; Y116-Q120 VanDerWaalsContact O-CG 3.28Å; Y116-Q120 WeakPolarHBondContact O-CG 3.41Å; Y116-Q120 PolarHBondContact O-N 2.97Å; Y116-F165 PolarHBondContact OH-O 3.08Å; Y116-Y167 WeakPolarHBondContact CE1-O 3.48Å; Y116-Y167 WeakPolarHBondContact OH-CA 3.43Å; Y116-Y167 WeakPolarHBondContact OH-CB 3.45Å; Y116-Y167 PolarHBondContact OH-N 3.42Å; Y116-Y167 PolarHBondContact OH-O 3.29Å; Y116-Y167 VanDerWaalsContact OH-O 3.14Å
117Y87.7Confident88.8Confident3 Ų337.8 Ų37.81%0.01219%0.192CC..Hα-helixtrans-60.2-42.3170.4-75.5-36.9000111.7P93 L96 S97 V113 A114 Q120 G121 D122 R125 L129P93-Y117 PolarHBondContact O-OH 2.79Å; L96-Y117 HydrophobicContact CB-CE1 3.86Å; L96-Y117 HydrophobicContact CD1-CD1 4.14Å; L96-Y117 HydrophobicContact CD1-CE1 4.01Å; S97-Y117 WeakPolarHBondContact CA-OH 3.12Å; S97-Y117 PolarHBondContact N-OH 3.37Å; S97-Y117 VanDerWaalsContact N-OH 3.14Å; V113-Y117 HydrophobicContact CG1-CD2 3.84Å; V113-Y117 HydrophobicContact CG1-CE2 3.47Å; V113-Y117 VanDerWaalsContact CG1-CE2 3.47Å; V113-Y117 PolarHBondContact O-N 2.73Å; A114-Y117 PolarHBondContact O-N 2.92Å; Y117-Q120 PolarHBondContact O-N 2.87Å; Y117-G121 PolarHBondContact O-N 3.45Å; Y117-D122 WeakPolarHBondContact O-CA 3.49Å; Y117-D122 PolarHBondContact O-N 3.13Å; Y117-R125 HydrophobicContact CD1-CG 4.5Å; Y117-R125 HydrophobicContact CD2-CB 4.41Å; Y117-R125 HydrophobicContact CD2-CG 3.73Å; Y117-R125 HydrophobicContact CE2-CG 3.79Å; Y117-R125 HydrophobicContact CG-CB 4.48Å; Y117-R125 HydrophobicContact CG-CG 4.12Å; Y117-R125 VanDerWaalsContact OH-CZ 3.31Å; Y117-R125 PolarHBondContact OH-NE 3Å; Y117-R125 VanDerWaalsContact OH-NE 3.13Å; Y117-R125 PolarHBondContact OH-NH2 3.46Å; Y117-L129 HydrophobicContact CD2-CD2 4.21Å; Y117-L129 HydrophobicContact CE2-CD2 4.08Å
118F88.8Confident88.5Confident30 Ų3038.5 Ų38.513%0.13220%0.204CC..Hα-helixtrans-62.6-45.1176.8-174.2-84.7000111.8A114 Y115 Y116 Q120 G121 K123 A126 L152 D153A114-F118 WeakPolarHBondContact O-CB 3.42Å; A114-F118 PolarHBondContact O-N 3.05Å; Y115-F118 WeakPolarHBondContact O-CB 3.48Å; Y115-F118 PolarHBondContact O-N 2.86Å; Y116-F118 VanDerWaalsContact C-N 3.29Å; Y116-F118 PolarHBondContact O-N 3.16Å; F118-Q120 PolarHBondContact O-N 2.95Å; F118-G121 WeakPolarHBondContact O-CA 3.32Å; F118-G121 PolarHBondContact O-N 2.89Å; F118-K123 HydrophobicContact CD2-CB 4.2Å; F118-K123 HydrophobicContact CD2-CD 4.19Å; F118-K123 HydrophobicContact CD2-CG 3.7Å; F118-K123 HydrophobicContact CE2-CB 4.34Å; F118-K123 HydrophobicContact CE2-CD 3.55Å; F118-K123 VanDerWaalsContact CE2-CE 3.45Å; F118-K123 HydrophobicContact CE2-CG 3.6Å; F118-K123 HydrophobicContact CZ-CD 4.1Å; F118-K123 VanDerWaalsContact CZ-CE 3.44Å; F118-K123 HydrophobicContact CZ-CG 4.36Å; F118-A126 HydrophobicContact CB-CB 4.04Å; F118-L152 HydrophobicContact CB-CD2 3.68Å; F118-L152 HydrophobicContact CD2-CB 3.83Å; F118-L152 HydrophobicContact CD2-CD1 4.11Å; F118-L152 HydrophobicContact CD2-CD2 4.18Å; F118-L152 HydrophobicContact CD2-CG 4.26Å; F118-L152 WeakPolarHBondContact CE1-O 3.31Å; F118-L152 HydrophobicContact CE2-CB 3.93Å; F118-L152 HydrophobicContact CG-CB 4.26Å; F118-L152 HydrophobicContact CG-CD2 3.89Å; F118-L152 HydrophobicContact CG-CG 4.46Å; F118-L152 HydrophobicContact CZ-CB 4.47Å; F118-L152 WeakPolarHBondContact CZ-O 3.21Å; F118-D153 WeakPolarHBondContact CE2-OD1 3.43Å
119K86.1Confident88.1Confident72 Ų7237 Ų3731%0.31320%0.197SC..Hα-helixtrans-65.5-24.8177.2-70.9-66.9-174.4-171.70113.6Y115 Y116 G121 F173Y115-K119 HydrophobicContact CD2-CG 4.37Å; Y115-K119 HydrophobicContact CE1-CG 4.16Å; Y115-K119 HydrophobicContact CE2-CD 4.29Å; Y115-K119 HydrophobicContact CE2-CG 3.95Å; Y115-K119 VanDerWaalsContact CZ-CE 3.49Å; Y115-K119 WeakPolarHBondContact O-CG 3.43Å; Y115-K119 PolarHBondContact O-N 3.29Å; Y115-K119 WeakPolarHBondContact OH-CE 3.29Å; Y116-K119 PolarHBondContact O-N 2.98Å; K119-G121 PolarHBondContact O-N 3.32Å; K119-F173 HydrophobicContact CB-CD1 4.28Å; K119-F173 HydrophobicContact CB-CE1 3.53Å; K119-F173 HydrophobicContact CB-CE2 3.82Å; K119-F173 HydrophobicContact CB-CZ 3.26Å; K119-F173 HydrophobicContact CD-CD2 4.16Å; K119-F173 HydrophobicContact CD-CE2 3.85Å; K119-F173 HydrophobicContact CD-CZ 4.22Å; K119-F173 HydrophobicContact CG-CE1 4.48Å; K119-F173 HydrophobicContact CG-CE2 3.88Å; K119-F173 HydrophobicContact CG-CZ 3.82Å; K119-F173 WeakPolarHBondContact O-CD1 3.45Å; K119-F173 WeakPolarHBondContact O-CE1 3.33Å
120Q81.2Confident87.9Confident73 Ų7337 Ų3734%0.34120%0.197SC..THydrogen-bonded Turntrans-78.5-0.8169.9-69.117023.600113.5S85 L96 Y116 Y117 F118S85-Q120 PolarHBondContact OG-NE2 3.01Å; L96-Q120 VanDerWaalsContact CD1-NE2 3.27Å; Y116-Q120 VanDerWaalsContact O-CG 3.28Å; Y116-Q120 WeakPolarHBondContact O-CG 3.41Å; Y116-Q120 PolarHBondContact O-N 2.97Å; Y117-Q120 PolarHBondContact O-N 2.87Å; F118-Q120 PolarHBondContact O-N 2.95Å
121G82.3Confident87.6Confident59 Ų5940.4 Ų40.461%0.60822%0.215SC*.THydrogen-bonded Turntrans86.70.4-177.600000114.6Y117 F118 K119 K123Y117-G121 PolarHBondContact O-N 3.45Å; F118-G121 WeakPolarHBondContact O-CA 3.32Å; F118-G121 PolarHBondContact O-N 2.89Å; K119-G121 PolarHBondContact O-N 3.32Å; G121-K123 VanDerWaalsContact C-N 3.33Å; G121-K123 PolarHBondContact O-N 3Å; G121-K123 VanDerWaalsContact O-N 3.14Å
122D83.1Confident87Confident64 Ų6442.3 Ų42.334%0.34223%0.229SC..  trans-90.466178.9-163.2-10.6000111.7Y117 N124 R125 A126Y117-D122 WeakPolarHBondContact O-CA 3.49Å; Y117-D122 PolarHBondContact O-N 3.13Å; D122-N124 PolarHBondContact O-N 3.01Å; D122-R125 HydrophobicContact CB-CB 4.19Å; D122-R125 PolarHBondContact O-N 3.14Å; D122-R125 WeakPolarHBondContact OD1-CB 3.49Å; D122-R125 PolarHBondContact OD1-N 2.86Å; D122-R125 WeakPolarHBondContact OD2-CB 2.81Å; D122-R125 VanDerWaalsContact OD2-CD 3.31Å; D122-R125 WeakPolarHBondContact OD2-CD 3.48Å; D122-A126 PolarHBondContact O-N 3.2Å
123K86.5Confident86.6Confident98 Ų9842.3 Ų42.343%0.42623%0.229SC..Hα-helixtrans-58.8-36.2-179.6-59.7-164.5172.4-159.60112.8F118 G121 A126 K127 D153F118-K123 HydrophobicContact CD2-CB 4.2Å; F118-K123 HydrophobicContact CD2-CD 4.19Å; F118-K123 HydrophobicContact CD2-CG 3.7Å; F118-K123 HydrophobicContact CE2-CB 4.34Å; F118-K123 HydrophobicContact CE2-CD 3.55Å; F118-K123 VanDerWaalsContact CE2-CE 3.45Å; F118-K123 HydrophobicContact CE2-CG 3.6Å; F118-K123 HydrophobicContact CZ-CD 4.1Å; F118-K123 VanDerWaalsContact CZ-CE 3.44Å; F118-K123 HydrophobicContact CZ-CG 4.36Å; G121-K123 VanDerWaalsContact C-N 3.33Å; G121-K123 PolarHBondContact O-N 3Å; G121-K123 VanDerWaalsContact O-N 3.14Å; K123-A126 PolarHBondContact O-N 3.12Å; K123-K127 WeakPolarHBondContact O-CG 3.38Å; K123-K127 PolarHBondContact O-N 3.14Å; K123-D153 IonicContact NZ-OD1 3.52Å; K123-D153 PolarHBondContact NZ-OD1 3.01Å
124N80.8Confident86.4Confident141 Ų14143.9 Ų43.975%0.75424%0.236SC*.Hα-helixtrans-68.4-43.3-178.2-71.8-25000111.1D122 G128D122-N124 PolarHBondContact O-N 3.01Å; N124-G128 WeakPolarHBondContact O-CA 3.35Å; N124-G128 PolarHBondContact O-N 2.54Å
125R81.9Confident85.9Confident95 Ų9549 Ų4936%0.35826%0.258SS..Hα-helixtrans-66.3-39.4175.2-170.4175.2-176.2148.8-0.2111.9S97 Y117 D122 L129S97-R125 PolarHBondContact OG-NH2 3.46Å; Y117-R125 HydrophobicContact CD1-CG 4.5Å; Y117-R125 HydrophobicContact CD2-CB 4.41Å; Y117-R125 HydrophobicContact CD2-CG 3.73Å; Y117-R125 HydrophobicContact CE2-CG 3.79Å; Y117-R125 HydrophobicContact CG-CB 4.48Å; Y117-R125 HydrophobicContact CG-CG 4.12Å; Y117-R125 VanDerWaalsContact OH-CZ 3.31Å; Y117-R125 PolarHBondContact OH-NE 3Å; Y117-R125 VanDerWaalsContact OH-NE 3.13Å; Y117-R125 PolarHBondContact OH-NH2 3.46Å; D122-R125 HydrophobicContact CB-CB 4.19Å; D122-R125 PolarHBondContact O-N 3.14Å; D122-R125 WeakPolarHBondContact OD1-CB 3.49Å; D122-R125 PolarHBondContact OD1-N 2.86Å; D122-R125 WeakPolarHBondContact OD2-CB 2.81Å; D122-R125 VanDerWaalsContact OD2-CD 3.31Å; D122-R125 WeakPolarHBondContact OD2-CD 3.48Å; R125-L129 WeakPolarHBondContact O-CB 3.37Å; R125-L129 PolarHBondContact O-N 2.89Å
126A87.5Confident85.2Confident0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-58.4-56.5174.300000111.9A114 F118 D122 K123 G128 L129 L130 L152A114-A126 HydrophobicContact CB-CB 4.25Å; A114-A126 WeakPolarHBondContact O-CB 3.41Å; F118-A126 HydrophobicContact CB-CB 4.04Å; D122-A126 PolarHBondContact O-N 3.2Å; K123-A126 PolarHBondContact O-N 3.12Å; A126-G128 PolarHBondContact O-N 2.84Å; A126-L129 PolarHBondContact O-N 2.91Å; A126-L130 WeakPolarHBondContact O-CG 3.47Å; A126-L130 PolarHBondContact O-N 3.33Å; A126-L152 HydrophobicContact CB-CD1 4.02Å
127K88.3Confident84.8Confident65 Ų6549.5 Ų49.528%0.28326%0.264SS..Hα-helixtrans-64.3-39.7179.3-68.1-173.6178.5-172.50112K123 L129 L130 N131 L152 D153K123-K127 WeakPolarHBondContact O-CG 3.38Å; K123-K127 PolarHBondContact O-N 3.14Å; K127-L129 PolarHBondContact O-N 2.89Å; K127-L130 PolarHBondContact O-N 3.39Å; K127-N131 WeakPolarHBondContact O-CB 3.43Å; K127-N131 PolarHBondContact O-N 2.73Å; K127-N131 PolarHBondContact O-ND2 2.96Å; K127-N131 VanDerWaalsContact O-ND2 3.14Å; K127-L152 HydrophobicContact CG-CD1 4.49Å; K127-D153 IonicContact NZ-OD2 3.15Å; K127-D153 PolarHBondContact NZ-OD2 3.35Å
128G84Confident84.7Confident38 Ų3853.4 Ų53.439%0.39229%0.285SS..Hα-helixtrans-60.8-42.6175.400000112.5N124 A126 S132N124-G128 WeakPolarHBondContact O-CA 3.35Å; N124-G128 PolarHBondContact O-N 2.54Å; A126-G128 PolarHBondContact O-N 2.84Å; G128-S132 WeakPolarHBondContact O-CB 3.48Å; G128-S132 PolarHBondContact O-N 3.41Å
129L85.7Confident84.6Confident17 Ų1757 Ų579%0.08931%0.309CS..Hα-helixtrans-63.3-51.3175.5175.860.3000111.2I110 V113 A114 Y117 R125 A126 K127 N131 S132 T133I110-L129 HydrophobicContact CD1-CD1 4.25Å; I110-L129 HydrophobicContact CG2-CD1 4.15Å; I110-L129 HydrophobicContact CG2-CD2 4.12Å; I110-L129 HydrophobicContact CG2-CG 3.8Å; V113-L129 HydrophobicContact CB-CD2 3.96Å; V113-L129 HydrophobicContact CG1-CD2 3.64Å; A114-L129 HydrophobicContact CB-CD2 4.42Å; Y117-L129 HydrophobicContact CD2-CD2 4.21Å; Y117-L129 HydrophobicContact CE2-CD2 4.08Å; R125-L129 WeakPolarHBondContact O-CB 3.37Å; R125-L129 PolarHBondContact O-N 2.89Å; A126-L129 PolarHBondContact O-N 2.91Å; K127-L129 PolarHBondContact O-N 2.89Å; L129-N131 PolarHBondContact O-N 2.87Å; L129-S132 PolarHBondContact O-N 2.98Å; L129-T133 WeakPolarHBondContact O-CB 3.45Å; L129-T133 PolarHBondContact O-N 2.89Å; L129-T133 PolarHBondContact O-OG1 3.16Å; L129-T133 VanDerWaalsContact O-OG1 3.06Å
130L90.8Very high84.9Confident0 Ų057.7 Ų57.70%032%0.322CS..Hα-helixtrans-56.8-50.7178.6-66177.8000111.2I110 A114 A126 K127 S132 T133 K134 L145 A148 E149 L152I110-L130 HydrophobicContact CG2-CD2 4.41Å; A114-L130 HydrophobicContact CB-CD1 4.03Å; A114-L130 HydrophobicContact CB-CD2 3.56Å; A114-L130 HydrophobicContact CB-CG 3.6Å; A126-L130 WeakPolarHBondContact O-CG 3.47Å; A126-L130 PolarHBondContact O-N 3.33Å; K127-L130 PolarHBondContact O-N 3.39Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3.11Å; L130-T133 PolarHBondContact O-N 3.21Å; L130-T133 VanDerWaalsContact O-N 3.16Å; L130-K134 VanDerWaalsContact O-CG 3.31Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L130-K134 PolarHBondContact O-N 2.93Å; L130-L145 HydrophobicContact CD2-CB 4.41Å; L130-L145 HydrophobicContact CD2-CD2 3.58Å; L130-A148 HydrophobicContact CD1-CB 4.49Å; L130-A148 HydrophobicContact CD2-CB 4.37Å; L130-E149 HydrophobicContact CD1-CB 3.67Å; L130-E149 HydrophobicContact CD1-CG 4.17Å; L130-L152 HydrophobicContact CD1-CD1 3.76Å
131N86.6Confident85.3Confident71 Ų7154.3 Ų54.338%0.3831%0.307SS..Hα-helixtrans-65.5-35.4-178.9-73.5-35.6000113K127 L129 T133 K134 E149K127-N131 WeakPolarHBondContact O-CB 3.43Å; K127-N131 PolarHBondContact O-N 2.73Å; K127-N131 PolarHBondContact O-ND2 2.96Å; K127-N131 VanDerWaalsContact O-ND2 3.14Å; L129-N131 PolarHBondContact O-N 2.87Å; N131-T133 VanDerWaalsContact C-N 3.34Å; N131-K134 PolarHBondContact OD1-NZ 3.03Å; N131-E149 PolarHBondContact ND2-OE1 3.33Å
132S82.1Confident85.7Confident42 Ų4253.7 Ų53.729%0.29429%0.291SS..Hα-helixtrans-68.5-34.7175.2-165.80000111.6R104 G128 L129 L130R104-S132 PolarHBondContact NH2-O 2.86Å; R104-S132 PolarHBondContact NH2-OG 3.5Å; G128-S132 WeakPolarHBondContact O-CB 3.48Å; G128-S132 PolarHBondContact O-N 3.41Å; L129-S132 PolarHBondContact O-N 2.98Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3.11Å
133T86.2Confident86.2Confident0 Ų057.5 Ų57.50%031%0.307CS..Hα-helixtrans-82-34.4-179.4-58.40000113R104 I110 L129 L130 N131 K135 C136 V137 L145R104-T133 HydrophobicContact CG-CG2 4.3Å; I110-T133 HydrophobicContact CB-CG2 4.25Å; I110-T133 HydrophobicContact CG1-CG2 4.03Å; I110-T133 HydrophobicContact CG2-CG2 3.94Å; L129-T133 WeakPolarHBondContact O-CB 3.45Å; L129-T133 PolarHBondContact O-N 2.89Å; L129-T133 PolarHBondContact O-OG1 3.16Å; L129-T133 VanDerWaalsContact O-OG1 3.06Å; L130-T133 PolarHBondContact O-N 3.21Å; L130-T133 VanDerWaalsContact O-N 3.16Å; N131-T133 VanDerWaalsContact C-N 3.34Å; T133-K135 PolarHBondContact O-N 3.06Å; T133-C136 PolarHBondContact O-N 3.23Å; T133-C136 PolarHBondContact O-SG 3.46Å; T133-V137 HydrophobicContact CG2-CG1 3.85Å; T133-V137 PolarHBondContact O-N 3.09Å; T133-L145 HydrophobicContact CG2-CD1 3.72Å
134K88.6Confident86.6Confident33 Ų3354.7 Ų54.714%0.14330%0.296CS..Hα-helixtrans-52.9-29.4173-75.9174.1-166.7175.50112.9L130 N131 C136 V142 L145 C146 E149L130-K134 VanDerWaalsContact O-CG 3.31Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L130-K134 PolarHBondContact O-N 2.93Å; N131-K134 PolarHBondContact OD1-NZ 3.03Å; K134-C136 PolarHBondContact O-N 2.85Å; K134-V142 HydrophobicContact CB-CG2 4.38Å; K134-V142 HydrophobicContact CG-CG1 4.46Å; K134-V142 WeakPolarHBondContact O-CG2 3.43Å; K134-L145 HydrophobicContact CB-CD1 4.49Å; K134-L145 HydrophobicContact CD-CB 4.44Å; K134-L145 HydrophobicContact CG-CB 3.72Å; K134-L145 HydrophobicContact CG-CD1 3.82Å; K134-L145 HydrophobicContact CG-CG 4.45Å; K134-C146 WeakPolarHBondContact CE-SG 3.24Å; K134-C146 PolarHBondContact NZ-SG 3.25Å; K134-C146 VanDerWaalsContact NZ-SG 3.44Å; K134-E149 IonicContact NZ-OE2 3.59Å; K134-E149 PolarHBondContact NZ-OE2 2.82Å
135K81.3Confident87.2Confident107 Ų10748 Ų4847%0.46526%0.26SS..THydrogen-bonded Turntrans-66-24.1177.3-63.5179.5-176.1-171.10112.8T133 I326 W339 M341T133-K135 PolarHBondContact O-N 3.06Å; K135-I326 HydrophobicContact CB-CG2 3.96Å; K135-I326 HydrophobicContact CD-CG2 3.75Å; K135-I326 HydrophobicContact CG-CG2 4.35Å; K135-W339 HydrophobicContact CB-CH2 4.47Å; K135-M341 WeakPolarHBondContact O-CE 3.31Å
136C78.1Confident87.8Confident17 Ų1746 Ų4612%0.11526%0.261CS..THydrogen-bonded Turntrans-127.422.8-169.264.30000115.4R104 T133 K134 W339 M341R104-C136 PolarHBondContact NE-SG 2.94Å; R104-C136 VanDerWaalsContact NE-SG 3.44Å; T133-C136 PolarHBondContact O-N 3.23Å; T133-C136 PolarHBondContact O-SG 3.46Å; K134-C136 PolarHBondContact O-N 2.85Å; C136-W339 HydrophobicContact CB-CH2 4.23Å; C136-W339 HydrophobicContact CB-CZ2 3.58Å; C136-M341 HydrophobicContact CB-CE 4.01Å; C136-M341 HydrophobicContact CB-SD 3.98Å
137V83.8Confident88Confident15 Ų1552.8 Ų52.89%0.09129%0.286CS..SBendtrans-121.5164.3171.3-64.20000109.1P107 T133 V142 L145P107-V137 HydrophobicContact CB-CG1 4.44Å; T133-V137 HydrophobicContact CG2-CG1 3.85Å; T133-V137 PolarHBondContact O-N 3.09Å; V137-V142 HydrophobicContact CG2-CG2 3.87Å; V137-L145 HydrophobicContact CG2-CD1 3.84Å
138D84.7Confident88.3Confident85 Ų8549.8 Ų49.846%0.45527%0.273SS..  trans-69.9175.9174.568.6-19.2000111.9C140 G141 V142 L345D138-C140 VanDerWaalsContact C-N 3.27Å; D138-C140 PolarHBondContact O-N 3.25Å; D138-G141 PolarHBondContact O-N 3.36Å; D138-G141 VanDerWaalsContact O-N 3.14Å; D138-G141 WeakPolarHBondContact OD1-CA 3.45Å; D138-G141 PolarHBondContact OD1-N 3.23Å; D138-V142 WeakPolarHBondContact O-CG2 3.44Å; D138-V142 PolarHBondContact O-N 3.22Å; D138-L345 HydrophobicContact CB-CD1 3.91Å
139T87.8Confident88.7Confident106 Ų10650 Ų5065%0.6526%0.264SS*.Hα-helixtrans-57.5-39.5-178.5-46.80000112.4V142 E143T139-V142 PolarHBondContact O-N 2.88Å; T139-E143 PolarHBondContact O-N 3.41Å
140C90.9Very high89Confident86 Ų8653 Ų5358%0.58129%0.287SS*.Hα-helixtrans-64-45.3177.2-174.80000111.2D138 V142 E143 L144D138-C140 VanDerWaalsContact C-N 3.27Å; D138-C140 PolarHBondContact O-N 3.25Å; C140-V142 PolarHBondContact O-N 2.94Å; C140-E143 PolarHBondContact O-N 3.09Å; C140-L144 PolarHBondContact O-N 3.43Å
141G89.7Confident89Confident1 Ų153.4 Ų53.41%0.0129%0.289CS..Hα-helixtrans-61.6-40.4173.800000112.9D138 L144 L145D138-G141 PolarHBondContact O-N 3.36Å; D138-G141 VanDerWaalsContact O-N 3.14Å; D138-G141 WeakPolarHBondContact OD1-CA 3.45Å; D138-G141 PolarHBondContact OD1-N 3.23Å; G141-L144 PolarHBondContact O-N 3.47Å; G141-L145 WeakPolarHBondContact O-CB 3.12Å; G141-L145 WeakPolarHBondContact O-CG 3.45Å; G141-L145 PolarHBondContact O-N 3.45Å
142V91.3Very high89.1Confident47 Ų4750.2 Ų50.229%0.28527%0.272SS..Hα-helixtrans-61.7-45.4175.4173.90000110.9K134 V137 D138 T139 C140 L144 L145 C146K134-V142 HydrophobicContact CB-CG2 4.38Å; K134-V142 HydrophobicContact CG-CG1 4.46Å; K134-V142 WeakPolarHBondContact O-CG2 3.43Å; V137-V142 HydrophobicContact CG2-CG2 3.87Å; D138-V142 WeakPolarHBondContact O-CG2 3.44Å; D138-V142 PolarHBondContact O-N 3.22Å; T139-V142 PolarHBondContact O-N 2.88Å; C140-V142 PolarHBondContact O-N 2.94Å; V142-L144 PolarHBondContact O-N 2.75Å; V142-L145 PolarHBondContact O-N 2.8Å; V142-C146 WeakPolarHBondContact O-CB 3.37Å; V142-C146 PolarHBondContact O-N 2.71Å; V142-C146 PolarHBondContact O-SG 3.09Å
143E94.1Very high89.1Confident144 Ų14452.5 Ų52.567%0.67328%0.28SS*.Hα-helixtrans-60.3-45.6178.3-170.6175-17700111.4T139 C140 L145 C146 R147T139-E143 PolarHBondContact O-N 3.41Å; C140-E143 PolarHBondContact O-N 3.09Å; E143-L145 PolarHBondContact O-N 2.85Å; E143-C146 PolarHBondContact O-N 3.4Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 3.46Å
144L94.2Very high89Confident38 Ų3855 Ų5520%0.19930%0.296CS..Hα-helixtrans-59.6-47.4175.3-171.8157.3000111.7P107 Q108 A111 C140 G141 V142 R147 A148 L161P107-L144 HydrophobicContact CB-CD2 4.39Å; Q108-L144 HydrophobicContact CB-CD1 4.15Å; Q108-L144 HydrophobicContact CG-CD1 4.43Å; A111-L144 HydrophobicContact CB-CD2 3.68Å; C140-L144 PolarHBondContact O-N 3.43Å; G141-L144 PolarHBondContact O-N 3.47Å; V142-L144 PolarHBondContact O-N 2.75Å; L144-R147 PolarHBondContact O-N 3.46Å; L144-A148 WeakPolarHBondContact O-CB 3.44Å; L144-A148 PolarHBondContact O-N 3.31Å; L144-L161 HydrophobicContact CG-CD1 4.21Å
145L93.7Very high88.1Confident0 Ų061.2 Ų61.20%033%0.331CS..Hα-helixtrans-69.1-33.5-179.2-66.7174000112.5P107 I110 A111 L130 T133 K134 V137 G141 V142 E143 E149P107-L145 HydrophobicContact CB-CD1 4.39Å; P107-L145 HydrophobicContact CB-CD2 4.28Å; P107-L145 HydrophobicContact CB-CG 4.09Å; P107-L145 VanDerWaalsContact O-CD2 3.32Å; P107-L145 WeakPolarHBondContact O-CD2 3.41Å; I110-L145 HydrophobicContact CB-CD2 4.17Å; I110-L145 HydrophobicContact CG2-CD2 3.94Å; A111-L145 HydrophobicContact CB-CD2 4.36Å; L130-L145 HydrophobicContact CD2-CB 4.41Å; L130-L145 HydrophobicContact CD2-CD2 3.58Å; T133-L145 HydrophobicContact CG2-CD1 3.72Å; K134-L145 HydrophobicContact CB-CD1 4.49Å; K134-L145 HydrophobicContact CD-CB 4.44Å; K134-L145 HydrophobicContact CG-CB 3.72Å; K134-L145 HydrophobicContact CG-CD1 3.82Å; K134-L145 HydrophobicContact CG-CG 4.45Å; V137-L145 HydrophobicContact CG2-CD1 3.84Å; G141-L145 WeakPolarHBondContact O-CB 3.12Å; G141-L145 WeakPolarHBondContact O-CG 3.45Å; G141-L145 PolarHBondContact O-N 3.45Å; V142-L145 PolarHBondContact O-N 2.8Å; E143-L145 PolarHBondContact O-N 2.85Å; L145-E149 WeakPolarHBondContact O-CB 3.24Å; L145-E149 PolarHBondContact O-N 2.9Å
146C94Very high87.9Confident55 Ų5560.4 Ų60.437%0.37233%0.331SS..Hα-helixtrans-66.1-43.2171.9-76.70000111.1K134 V142 E143 E149 S150K134-C146 WeakPolarHBondContact CE-SG 3.24Å; K134-C146 PolarHBondContact NZ-SG 3.25Å; K134-C146 VanDerWaalsContact NZ-SG 3.44Å; V142-C146 WeakPolarHBondContact O-CB 3.37Å; V142-C146 PolarHBondContact O-N 2.71Å; V142-C146 PolarHBondContact O-SG 3.09Å; E143-C146 PolarHBondContact O-N 3.4Å; C146-E149 PolarHBondContact O-N 3.14Å; C146-S150 PolarHBondContact O-N 2.94Å; C146-S150 PolarHBondContact O-OG 2.95Å
147R93.1Very high88Confident142 Ų14264.1 Ų64.154%0.53635%0.35SS..Hα-helixtrans-61.9-43.4173.6-178.5173177.8173.30.5111.8E143 L144 E149 S150 M151 L161E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 3.46Å; L144-R147 PolarHBondContact O-N 3.46Å; R147-E149 VanDerWaalsContact C-N 3.34Å; R147-E149 PolarHBondContact O-N 2.91Å; R147-S150 WeakPolarHBondContact CA-OG 3.32Å; R147-S150 PolarHBondContact O-N 2.86Å; R147-S150 PolarHBondContact O-OG 3.44Å; R147-M151 HydrophobicContact CG-CG 4.48Å; R147-M151 HydrophobicContact CG-SD 3.81Å; R147-M151 WeakPolarHBondContact O-CB 3.35Å; R147-M151 WeakPolarHBondContact O-CG 3.34Å; R147-M151 PolarHBondContact O-N 3.4Å; R147-L161 HydrophobicContact CG-CD1 4.12Å
148A93.4Very high88.2Confident1 Ų163.9 Ų63.91%0.00835%0.348CS..Hα-helixtrans-58.3-47.1174.100000111.2A111 L130 L144 M151 L152 L161A111-A148 HydrophobicContact CB-CB 3.66Å; L130-A148 HydrophobicContact CD1-CB 4.49Å; L130-A148 HydrophobicContact CD2-CB 4.37Å; L144-A148 WeakPolarHBondContact O-CB 3.44Å; L144-A148 PolarHBondContact O-N 3.31Å; A148-M151 PolarHBondContact O-N 3.25Å; A148-L152 WeakPolarHBondContact O-CG 3.49Å; A148-L152 PolarHBondContact O-N 3.14Å; A148-L161 HydrophobicContact CB-CD2 3.76Å
149E92.8Very high88.3Confident44 Ų4466 Ų6621%0.20635%0.353CS..Hα-helixtrans-61.6-44178.9-169.7175.5-151.200112.4L130 N131 K134 L145 C146 R147 M151 L152L130-E149 HydrophobicContact CD1-CB 3.67Å; L130-E149 HydrophobicContact CD1-CG 4.17Å; N131-E149 PolarHBondContact ND2-OE1 3.33Å; K134-E149 IonicContact NZ-OE2 3.59Å; K134-E149 PolarHBondContact NZ-OE2 2.82Å; L145-E149 WeakPolarHBondContact O-CB 3.24Å; L145-E149 PolarHBondContact O-N 2.9Å; C146-E149 PolarHBondContact O-N 3.14Å; R147-E149 VanDerWaalsContact C-N 3.34Å; R147-E149 PolarHBondContact O-N 2.91Å; E149-M151 VanDerWaalsContact C-N 3.28Å; E149-M151 PolarHBondContact O-N 3.44Å; E149-L152 WeakPolarHBondContact O-CB 3.42Å; E149-L152 PolarHBondContact O-N 3.34Å
150S91.1Very high88.4Confident80 Ų8064.9 Ų64.956%0.55935%0.349SS*.Hα-helixtrans-64.4-35.4176.559.30000112C146 R147 L152C146-S150 PolarHBondContact O-N 2.94Å; C146-S150 PolarHBondContact O-OG 2.95Å; R147-S150 WeakPolarHBondContact CA-OG 3.32Å; R147-S150 PolarHBondContact O-N 2.86Å; R147-S150 PolarHBondContact O-OG 3.44Å; S150-L152 VanDerWaalsContact C-N 3.35Å
151M91.7Very high88.4Confident8 Ų861.5 Ų61.54%0.03933%0.326CS..Hα-helixtrans-74.1-23178.4-70.61727100112.6R147 A148 E149 D153 T154 D156 F158 L161R147-M151 HydrophobicContact CG-CG 4.48Å; R147-M151 HydrophobicContact CG-SD 3.81Å; R147-M151 WeakPolarHBondContact O-CB 3.35Å; R147-M151 WeakPolarHBondContact O-CG 3.34Å; R147-M151 PolarHBondContact O-N 3.4Å; A148-M151 PolarHBondContact O-N 3.25Å; E149-M151 VanDerWaalsContact C-N 3.28Å; E149-M151 PolarHBondContact O-N 3.44Å; M151-D153 VanDerWaalsContact C-N 3.26Å; M151-D153 PolarHBondContact O-N 2.9Å; M151-T154 VanDerWaalsContact CA-OG1 3.31Å; M151-T154 WeakPolarHBondContact CA-OG1 3.36Å; M151-T154 PolarHBondContact O-N 2.87Å; M151-T154 PolarHBondContact O-OG1 3.1Å; M151-D156 HydrophobicContact CB-CB 4.44Å; M151-D156 HydrophobicContact CE-CB 3.6Å; M151-D156 HydrophobicContact CG-CB 4.15Å; M151-F158 VanDerWaalsContact C-CZ 3.4Å; M151-F158 HydrophobicContact CB-CE1 3.98Å; M151-F158 HydrophobicContact CB-CE2 3.77Å; M151-F158 HydrophobicContact CB-CZ 3.39Å; M151-F158 HydrophobicContact CE-CD2 4.37Å; M151-F158 HydrophobicContact CE-CG 4.37Å; M151-F158 VanDerWaalsContact O-CE2 3.29Å; M151-F158 WeakPolarHBondContact O-CE2 3.26Å; M151-F158 WeakPolarHBondContact O-CZ 3.48Å; M151-L161 HydrophobicContact CE-CB 4.39Å; M151-L161 HydrophobicContact CE-CD2 4.48Å; M151-L161 HydrophobicContact SD-CB 4.42Å; M151-L161 HydrophobicContact SD-CD2 3.78Å
152L88.4Confident88.5Confident4 Ų461.5 Ų61.52%0.02133%0.325CS..Hα-helixtrans-57.7-40.2-175.3-78.1-177.6000112.2F118 A126 K127 L130 A148 E149 S150 T154 F158F118-L152 HydrophobicContact CB-CD2 3.68Å; F118-L152 HydrophobicContact CD2-CB 3.83Å; F118-L152 HydrophobicContact CD2-CD1 4.11Å; F118-L152 HydrophobicContact CD2-CD2 4.18Å; F118-L152 HydrophobicContact CD2-CG 4.26Å; F118-L152 WeakPolarHBondContact CE1-O 3.31Å; F118-L152 HydrophobicContact CE2-CB 3.93Å; F118-L152 HydrophobicContact CG-CB 4.26Å; F118-L152 HydrophobicContact CG-CD2 3.89Å; F118-L152 HydrophobicContact CG-CG 4.46Å; F118-L152 HydrophobicContact CZ-CB 4.47Å; F118-L152 WeakPolarHBondContact CZ-O 3.21Å; A126-L152 HydrophobicContact CB-CD1 4.02Å; K127-L152 HydrophobicContact CG-CD1 4.49Å; L130-L152 HydrophobicContact CD1-CD1 3.76Å; A148-L152 WeakPolarHBondContact O-CG 3.49Å; A148-L152 PolarHBondContact O-N 3.14Å; E149-L152 WeakPolarHBondContact O-CB 3.42Å; E149-L152 PolarHBondContact O-N 3.34Å; S150-L152 VanDerWaalsContact C-N 3.35Å; L152-T154 PolarHBondContact O-N 3.42Å; L152-F158 HydrophobicContact CD2-CE1 4.26Å; L152-F158 HydrophobicContact CD2-CZ 3.96Å; L152-F158 HydrophobicContact CG-CZ 4.49Å
153D83.3Confident88.6Confident90 Ų9060.7 Ų60.748%0.48133%0.327SS..THydrogen-bonded Turntrans-86.410.4-179.9-69.1-53.1000112.8F118 K123 K127 M151F118-D153 WeakPolarHBondContact CE2-OD1 3.43Å; K123-D153 IonicContact NZ-OD1 3.52Å; K123-D153 PolarHBondContact NZ-OD1 3.01Å; K127-D153 IonicContact NZ-OD2 3.15Å; K127-D153 PolarHBondContact NZ-OD2 3.35Å; M151-D153 VanDerWaalsContact C-N 3.26Å; M151-D153 PolarHBondContact O-N 2.9Å
154T83.1Confident88.5Confident52 Ų5255.8 Ų55.832%0.31931%0.307SS..SBendtrans-118.6163178.870.40000111.9M151 L152 D156M151-T154 VanDerWaalsContact CA-OG1 3.31Å; M151-T154 WeakPolarHBondContact CA-OG1 3.36Å; M151-T154 PolarHBondContact O-N 2.87Å; M151-T154 PolarHBondContact O-OG1 3.1Å; L152-T154 PolarHBondContact O-N 3.42Å; T154-D156 PolarHBondContact O-N 2.88Å; T154-D156 VanDerWaalsContact OG1-CB 3.3Å; T154-D156 WeakPolarHBondContact OG1-CB 3.42Å; T154-D156 PolarHBondContact OG1-N 3.49Å; T154-D156 PolarHBondContact OG1-OD2 3.15Å
155D68.7Low88.5Confident164 Ų16454 Ų5488%0.87730%0.298SS*.  trans-87.524.2169.4-84.4-29.9000112.7
156D77.3Confident88.5Confident90 Ų9056.3 Ų56.348%0.48131%0.307SS..  trans-64156.3-177.5-72.3-15.6000113.1M151 T154 F158M151-D156 HydrophobicContact CB-CB 4.44Å; M151-D156 HydrophobicContact CE-CB 3.6Å; M151-D156 HydrophobicContact CG-CB 4.15Å; T154-D156 PolarHBondContact O-N 2.88Å; T154-D156 VanDerWaalsContact OG1-CB 3.3Å; T154-D156 WeakPolarHBondContact OG1-CB 3.42Å; T154-D156 PolarHBondContact OG1-N 3.49Å; T154-D156 PolarHBondContact OG1-OD2 3.15Å; D156-F158 WeakPolarHBondContact O-CD2 3.32Å; D156-F158 PolarHBondContact O-N 3.13Å
157D81.4Confident88.3Confident95 Ų9554.3 Ų54.351%0.50829%0.292SS..  trans-72.792.3176.9-178.626.2000112.3K159 S160D157-K159 PolarHBondContact O-N 3.18Å; D157-K159 WeakPolarHBondContact OD1-CB 3.49Å; D157-K159 PolarHBondContact OD1-N 2.9Å; D157-S160 PolarHBondContact O-OG 3.49Å; D157-S160 VanDerWaalsContact O-OG 3.05Å
158F87.7Confident87.8Confident9 Ų952.3 Ų52.34%0.03929%0.287CS..Hα-helixtrans-63-18.1171.9-86-91.1000113.9Y115 M151 L152 D156 S160 L161 L162 Y166Y115-F158 HydrophobicContact CD2-CB 4.11Å; Y115-F158 AromaticContact CD2-CD1 3.53Å; Y115-F158 HydrophobicContact CD2-CD1 3.53Å; Y115-F158 AromaticContact CD2-CD2 3.62Å; Y115-F158 HydrophobicContact CD2-CD2 3.62Å; Y115-F158 AromaticContact CD2-CE1 3.73Å; Y115-F158 HydrophobicContact CD2-CE1 3.73Å; Y115-F158 AromaticContact CD2-CE2 3.81Å; Y115-F158 HydrophobicContact CD2-CE2 3.81Å; Y115-F158 AromaticContact CD2-CG 3.45Å; Y115-F158 HydrophobicContact CD2-CG 3.45Å; Y115-F158 VanDerWaalsContact CD2-CG 3.45Å; Y115-F158 AromaticContact CD2-CZ 3.86Å; Y115-F158 HydrophobicContact CD2-CZ 3.86Å; Y115-F158 HydrophobicContact CE2-CB 3.93Å; Y115-F158 HydrophobicContact CE2-CD1 4.16Å; Y115-F158 AromaticContact CE2-CD2 3.51Å; Y115-F158 HydrophobicContact CE2-CD2 3.51Å; Y115-F158 HydrophobicContact CE2-CE2 4Å; Y115-F158 AromaticContact CE2-CG 3.59Å; Y115-F158 HydrophobicContact CE2-CG 3.59Å; Y115-F158 HydrophobicContact CG-CD1 4.01Å; Y115-F158 HydrophobicContact CG-CE1 4.32Å; Y115-F158 HydrophobicContact CG-CG 4.23Å; M151-F158 VanDerWaalsContact C-CZ 3.4Å; M151-F158 HydrophobicContact CB-CE1 3.98Å; M151-F158 HydrophobicContact CB-CE2 3.77Å; M151-F158 HydrophobicContact CB-CZ 3.39Å; M151-F158 HydrophobicContact CE-CD2 4.37Å; M151-F158 HydrophobicContact CE-CG 4.37Å; M151-F158 VanDerWaalsContact O-CE2 3.29Å; M151-F158 WeakPolarHBondContact O-CE2 3.26Å; M151-F158 WeakPolarHBondContact O-CZ 3.48Å; L152-F158 HydrophobicContact CD2-CE1 4.26Å; L152-F158 HydrophobicContact CD2-CZ 3.96Å; L152-F158 HydrophobicContact CG-CZ 4.49Å; D156-F158 WeakPolarHBondContact O-CD2 3.32Å; D156-F158 PolarHBondContact O-N 3.13Å; F158-S160 VanDerWaalsContact C-N 3.31Å; F158-S160 PolarHBondContact O-N 2.87Å; F158-L161 HydrophobicContact CD1-CD2 4.3Å; F158-L161 HydrophobicContact CE1-CD2 4.37Å; F158-L161 PolarHBondContact O-N 3.05Å; F158-L162 HydrophobicContact CB-CD1 4.03Å; F158-L162 HydrophobicContact CB-CG 4.25Å; F158-L162 HydrophobicContact CD1-CD1 3.93Å; F158-L162 HydrophobicContact CD1-CD2 4.37Å; F158-L162 HydrophobicContact CD1-CG 4.04Å; F158-L162 HydrophobicContact CG-CD1 4.42Å; F158-L162 WeakPolarHBondContact O-CB 3.13Å; F158-L162 VanDerWaalsContact O-CG 3.29Å; F158-L162 WeakPolarHBondContact O-CG 3.22Å; F158-L162 PolarHBondContact O-N 3.3Å; F158-Y166 HydrophobicContact CB-CD2 4.17Å; F158-Y166 HydrophobicContact CB-CE2 4.06Å
159K87.7Confident86.8Confident131 Ų13152.2 Ų52.257%0.5729%0.286SS*.Hα-helixtrans-61.4-42.7-177-172.7178.2178.1-177.50111.6D157 L161 G163 Y166D157-K159 PolarHBondContact O-N 3.18Å; D157-K159 WeakPolarHBondContact OD1-CB 3.49Å; D157-K159 PolarHBondContact OD1-N 2.9Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 3.04Å; K159-G163 PolarHBondContact O-N 3.2Å; K159-Y166 HydrophobicContact CB-CD1 3.85Å; K159-Y166 HydrophobicContact CB-CD2 4.18Å; K159-Y166 HydrophobicContact CB-CE1 4.04Å; K159-Y166 HydrophobicContact CB-CE2 4.35Å; K159-Y166 HydrophobicContact CB-CG 3.91Å; K159-Y166 HydrophobicContact CD-CD1 4.19Å; K159-Y166 HydrophobicContact CD-CE1 4.31Å; K159-Y166 HydrophobicContact CG-CD1 3.66Å; K159-Y166 HydrophobicContact CG-CE1 4.14Å; K159-Y166 HydrophobicContact CG-CG 3.99Å
160S88.1Confident85.6Confident82 Ų8255.7 Ų55.757%0.57331%0.306SS*.Hα-helixtrans-63.5-38.117765.60000112.9D157 F158D157-S160 PolarHBondContact O-OG 3.49Å; D157-S160 VanDerWaalsContact O-OG 3.05Å; F158-S160 VanDerWaalsContact C-N 3.31Å; F158-S160 PolarHBondContact O-N 2.87Å
161L91.3Very high83.9Confident15 Ų1554.9 Ų54.98%0.07929%0.293CS..Hα-helixtrans-74.8-45.8-179.5-175.172.5000112Q108 L144 R147 A148 M151 F158 K159Q108-L161 WeakPolarHBondContact CG-O 3.4Å; Q108-L161 PolarHBondContact NE2-O 3.32Å; L144-L161 HydrophobicContact CG-CD1 4.21Å; R147-L161 HydrophobicContact CG-CD1 4.12Å; A148-L161 HydrophobicContact CB-CD2 3.76Å; M151-L161 HydrophobicContact CE-CB 4.39Å; M151-L161 HydrophobicContact CE-CD2 4.48Å; M151-L161 HydrophobicContact SD-CB 4.42Å; M151-L161 HydrophobicContact SD-CD2 3.78Å; F158-L161 HydrophobicContact CD1-CD2 4.3Å; F158-L161 HydrophobicContact CE1-CD2 4.37Å; F158-L161 PolarHBondContact O-N 3.05Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 3.04Å
162L93Very high81.5Confident0 Ų059.1 Ų59.10%032%0.316CS..Hα-helixtrans-86.7-16-171.1-59-173.5000113.1A111 A112 Y115 F158 F165 Y166A111-L162 HydrophobicContact CB-CD2 3.56Å; A112-L162 HydrophobicContact CB-CB 4.39Å; A112-L162 HydrophobicContact CB-CD1 3.94Å; A112-L162 HydrophobicContact CB-CD2 4.01Å; A112-L162 HydrophobicContact CB-CG 4.33Å; Y115-L162 HydrophobicContact CD1-CD1 3.79Å; Y115-L162 HydrophobicContact CG-CD1 3.85Å; F158-L162 HydrophobicContact CB-CD1 4.03Å; F158-L162 HydrophobicContact CB-CG 4.25Å; F158-L162 HydrophobicContact CD1-CD1 3.93Å; F158-L162 HydrophobicContact CD1-CD2 4.37Å; F158-L162 HydrophobicContact CD1-CG 4.04Å; F158-L162 HydrophobicContact CG-CD1 4.42Å; F158-L162 WeakPolarHBondContact O-CB 3.13Å; F158-L162 VanDerWaalsContact O-CG 3.29Å; F158-L162 WeakPolarHBondContact O-CG 3.22Å; F158-L162 PolarHBondContact O-N 3.3Å; L162-F165 PolarHBondContact O-N 3.49Å; L162-F165 VanDerWaalsContact O-N 3.1Å; L162-Y166 HydrophobicContact CD1-CD2 4.19Å
163G92.4Very high79.5Confident31 Ų3162.4 Ų62.432%0.3233%0.33SS..G310 helixtrans53-123.2174.900000112.2K159 F165 Y166K159-G163 PolarHBondContact O-N 3.2Å; G163-F165 PolarHBondContact O-N 3.11Å; G163-Y166 WeakPolarHBondContact O-CB 3.4Å; G163-Y166 PolarHBondContact O-N 3.1Å; G163-Y166 VanDerWaalsContact O-N 3.13Å
164P92.3Very high77.2Confident41 Ų4166 Ų6627%0.26634%0.344SS..G310 helixtrans-64.9-23.5-176.328.9-35.9000113.6E71 T75 Y166E71-P164 HydrophobicContact CG-CG 3.93Å; T75-P164 WeakPolarHBondContact CG2-O 3.44Å; P164-Y166 VanDerWaalsContact C-N 3.31Å
165F94.4Very high74.9Confident0 Ų068.9 Ų68.90%036%0.357CS..G310 helixtrans-83.4-6.7178.9-51.9-51.1000113.6E71 L74 I78 Q108 L109 A112 Y116 L162 G163 Y167E71-F165 HydrophobicContact CG-CE1 4.32Å; E71-F165 HydrophobicContact CG-CZ 3.99Å; L74-F165 HydrophobicContact CB-CE1 3.56Å; L74-F165 HydrophobicContact CB-CZ 4.13Å; L74-F165 HydrophobicContact CD1-CE1 4.45Å; L74-F165 HydrophobicContact CD1-CZ 4.2Å; I78-F165 HydrophobicContact CD1-CB 4.36Å; I78-F165 HydrophobicContact CG2-CB 4.3Å; I78-F165 HydrophobicContact CG2-CD1 4.06Å; Q108-F165 HydrophobicContact CB-CD2 4.24Å; Q108-F165 HydrophobicContact CB-CE2 4.22Å; Q108-F165 HydrophobicContact CG-CD2 4.09Å; Q108-F165 HydrophobicContact CG-CE2 4.43Å; L109-F165 HydrophobicContact CB-CD2 4.04Å; L109-F165 HydrophobicContact CB-CE2 3.88Å; L109-F165 HydrophobicContact CB-CG 4.49Å; L109-F165 HydrophobicContact CB-CZ 4.22Å; L109-F165 HydrophobicContact CD1-CD1 3.66Å; L109-F165 HydrophobicContact CD1-CD2 4.26Å; L109-F165 HydrophobicContact CD1-CE1 3.87Å; L109-F165 HydrophobicContact CD1-CE2 4.44Å; L109-F165 HydrophobicContact CD1-CG 3.87Å; L109-F165 HydrophobicContact CD1-CZ 4.25Å; A112-F165 HydrophobicContact CB-CB 3.55Å; Y116-F165 PolarHBondContact OH-O 3.08Å; L162-F165 PolarHBondContact O-N 3.49Å; L162-F165 VanDerWaalsContact O-N 3.1Å; G163-F165 PolarHBondContact O-N 3.11Å; F165-Y167 PolarHBondContact O-N 3.32Å
166Y92.8Very high73.5Confident49 Ų4966.1 Ų66.119%0.19234%0.341CS..  trans-72.3124.6168.4-171.6-96.5000110.4Y115 F158 K159 L162 G163 P164 K168Y115-Y166 HydrophobicContact CE1-CE2 4.23Å; F158-Y166 HydrophobicContact CB-CD2 4.17Å; F158-Y166 HydrophobicContact CB-CE2 4.06Å; K159-Y166 HydrophobicContact CB-CD1 3.85Å; K159-Y166 HydrophobicContact CB-CD2 4.18Å; K159-Y166 HydrophobicContact CB-CE1 4.04Å; K159-Y166 HydrophobicContact CB-CE2 4.35Å; K159-Y166 HydrophobicContact CB-CG 3.91Å; K159-Y166 HydrophobicContact CD-CD1 4.19Å; K159-Y166 HydrophobicContact CD-CE1 4.31Å; K159-Y166 HydrophobicContact CG-CD1 3.66Å; K159-Y166 HydrophobicContact CG-CE1 4.14Å; K159-Y166 HydrophobicContact CG-CG 3.99Å; L162-Y166 HydrophobicContact CD1-CD2 4.19Å; G163-Y166 WeakPolarHBondContact O-CB 3.4Å; G163-Y166 PolarHBondContact O-N 3.1Å; G163-Y166 VanDerWaalsContact O-N 3.13Å; P164-Y166 VanDerWaalsContact C-N 3.31Å; Y166-K168 HydrophobicContact CE1-CB 3.93Å
167Y90.4Very high71.4Confident12 Ų1268.9 Ų68.95%0.04736%0.356CS..  trans-148.2106.4-179.1-177.2-106.6000108.9E37 R41 R79 V82 L83 Y116 F165 P169E37-Y167 VanDerWaalsContact CD-OH 3.32Å; E37-Y167 VanDerWaalsContact OE1-CE2 3.31Å; E37-Y167 WeakPolarHBondContact OE1-CE2 3.14Å; E37-Y167 VanDerWaalsContact OE1-CZ 3.31Å; E37-Y167 PolarHBondContact OE1-OH 3.41Å; E37-Y167 PolarHBondContact OE2-OH 2.78Å; R41-Y167 PolarHBondContact NH2-OH 3.03Å; R41-Y167 VanDerWaalsContact NH2-OH 3.14Å; R79-Y167 HydrophobicContact CB-CD1 4.27Å; R79-Y167 HydrophobicContact CB-CD2 4.25Å; R79-Y167 HydrophobicContact CB-CE1 4.46Å; R79-Y167 HydrophobicContact CB-CE2 4.43Å; R79-Y167 HydrophobicContact CB-CG 4.15Å; R79-Y167 HydrophobicContact CG-CD1 4.18Å; R79-Y167 HydrophobicContact CG-CD2 3.54Å; R79-Y167 HydrophobicContact CG-CE2 4.11Å; R79-Y167 HydrophobicContact CG-CG 3.57Å; V82-Y167 HydrophobicContact CB-CD1 3.88Å; V82-Y167 HydrophobicContact CG1-CD1 3.65Å; V82-Y167 HydrophobicContact CG1-CE1 4.28Å; L83-Y167 HydrophobicContact CD1-CE1 4.43Å; L83-Y167 HydrophobicContact CD2-CE1 3.71Å; L83-Y167 WeakPolarHBondContact CD2-OH 3.25Å; L83-Y167 HydrophobicContact CG-CE1 3.61Å; L83-Y167 WeakPolarHBondContact CG-OH 3.46Å; Y116-Y167 WeakPolarHBondContact CE1-O 3.48Å; Y116-Y167 WeakPolarHBondContact OH-CA 3.43Å; Y116-Y167 WeakPolarHBondContact OH-CB 3.45Å; Y116-Y167 PolarHBondContact OH-N 3.42Å; Y116-Y167 PolarHBondContact OH-O 3.29Å; Y116-Y167 VanDerWaalsContact OH-O 3.14Å; F165-Y167 PolarHBondContact O-N 3.32Å; Y167-P169 HydrophobicContact CD1-CG 4.37Å; Y167-P169 HydrophobicContact CE1-CB 4.41Å; Y167-P169 HydrophobicContact CE1-CG 3.9Å
168K82.5Confident68.8Low100 Ų10068.9 Ų68.944%0.43536%0.362SS..  trans-103.9111.1170.5-177.4175-177.8-177.70107Y166 D172Y166-K168 HydrophobicContact CE1-CB 3.93Å; K168-D172 IonicContact NZ-OD1 2.74Å; K168-D172 PolarHBondContact NZ-OD1 3.37Å
169P72.6Confident66Low0 Ų072.6 Ų72.60%039%0.389CS..  trans-64.2153162.5-1.214.7000108.9V82 L83 Y86 Y167 F171V82-P169 HydrophobicContact CG1-CG 4.46Å; L83-P169 HydrophobicContact CD2-CB 4.21Å; L83-P169 HydrophobicContact CD2-CG 4.25Å; Y86-P169 HydrophobicContact CD2-CG 3.47Å; Y86-P169 VanDerWaalsContact CD2-CG 3.47Å; Y86-P169 HydrophobicContact CE1-CG 4.31Å; Y86-P169 HydrophobicContact CE2-CG 3.24Å; Y86-P169 HydrophobicContact CG-CG 4.14Å; Y86-P169 WeakPolarHBondContact OH-CD 3.27Å; Y167-P169 HydrophobicContact CD1-CG 4.37Å; Y167-P169 HydrophobicContact CE1-CB 4.41Å; Y167-P169 HydrophobicContact CE1-CG 3.9Å; P169-F171 HydrophobicContact CB-CD2 4.08Å; P169-F171 PolarHBondContact O-N 3.47Å
170D66.9Low63.2Low116 Ų11675.2 Ų75.262%0.6240%0.404SS*.SBendtrans-6619.5179.1-68-30.7000115.4R41R41-D170 WeakPolarHBondContact CD-OD2 3.47Å; R41-D170 IonicContact NH1-OD2 3.6Å
171F55.2Low60.4Low63 Ų6375.7 Ų75.728%0.27641%0.412SS..SBendtrans-101.6129.3172.2-58-74.7000109.1P169P169-F171 HydrophobicContact CB-CD2 4.08Å; P169-F171 PolarHBondContact O-N 3.47Å
172D42.9Very low57.4Low98 Ų9879.5 Ų79.552%0.52444%0.44SS..  trans-78.9140.7167.7-92.3-26.1000110.2K168 Q174 D175K168-D172 IonicContact NZ-OD1 2.74Å; K168-D172 PolarHBondContact NZ-OD1 3.37Å; D172-Q174 PolarHBondContact O-N 3.25Å; D172-D175 PolarHBondContact O-N 2.65Å
173F44.7Very low54.3Low72 Ų7284.4 Ų84.432%0.31648%0.475SS..THydrogen-bonded Turntrans-56.5-14.2-176.9-83.9-84.4000114.7Y86 K119Y86-F173 HydrophobicContact CE1-CD1 4.28Å; Y86-F173 AromaticContact CE1-CE1 3.89Å; Y86-F173 HydrophobicContact CE1-CE1 3.89Å; Y86-F173 HydrophobicContact CE1-CE2 4.25Å; Y86-F173 AromaticContact CE1-CZ 3.86Å; Y86-F173 HydrophobicContact CE1-CZ 3.86Å; Y86-F173 HydrophobicContact CE2-CZ 4.4Å; Y86-F173 AromaticContact CZ-CE1 3.9Å; Y86-F173 AromaticContact CZ-CE2 3.92Å; Y86-F173 AromaticContact CZ-CZ 3.46Å; Y86-F173 VanDerWaalsContact CZ-CZ 3.46Å; Y86-F173 WeakPolarHBondContact OH-CE2 3.5Å; Y86-F173 WeakPolarHBondContact OH-CZ 3.31Å; K119-F173 HydrophobicContact CB-CD1 4.28Å; K119-F173 HydrophobicContact CB-CE1 3.53Å; K119-F173 HydrophobicContact CB-CE2 3.82Å; K119-F173 HydrophobicContact CB-CZ 3.26Å; K119-F173 HydrophobicContact CD-CD2 4.16Å; K119-F173 HydrophobicContact CD-CE2 3.85Å; K119-F173 HydrophobicContact CD-CZ 4.22Å; K119-F173 HydrophobicContact CG-CE1 4.48Å; K119-F173 HydrophobicContact CG-CE2 3.88Å; K119-F173 HydrophobicContact CG-CZ 3.82Å; K119-F173 WeakPolarHBondContact O-CD1 3.45Å; K119-F173 WeakPolarHBondContact O-CE1 3.33Å
174Q36.8Very low51.1Low167 Ų16788.9 Ų88.978%0.7850%0.501SS*.THydrogen-bonded Turntrans-89.4-13.8-175.4-67.6-172.1-4.200114.4D172 I176 N177D172-Q174 PolarHBondContact O-N 3.25Å; Q174-I176 VanDerWaalsContact C-N 3.32Å; Q174-I176 PolarHBondContact O-N 2.96Å; Q174-N177 PolarHBondContact O-N 2.79Å
175D33.5Very low47.9Very low112 Ų11289.7 Ų89.760%0.59952%0.517SS*.THydrogen-bonded Turntrans-82.9-4-174.8-73.4-27.9000115.1D172 S179D172-D175 PolarHBondContact O-N 2.65Å; D175-S179 PolarHBondContact O-OG 2.85Å; D175-S179 VanDerWaalsContact O-OG 3.07Å
176I40.2Very low44.6Very low105 Ų10596.3 Ų96.354%0.53856%0.557SS.*THydrogen-bonded Turntrans-78.8-22.3173.7-60.5176.8000111.6Q174Q174-I176 VanDerWaalsContact C-N 3.32Å; Q174-I176 PolarHBondContact O-N 2.96Å
177N31.9Very low41.2Very low149 Ų14999.2 Ų99.280%0.79759%0.585SS**THydrogen-bonded Turntrans-96.4-4.3179.7-84.6-21.1000115Q174Q174-N177 PolarHBondContact O-N 2.79Å
178C28.1Very low38Very low94 Ų94103.6 Ų103.664%0.63562%0.617SS**THydrogen-bonded Turntrans-110.5-15.3179.1-83.20000115
179S29.3Very low35.4Very low87 Ų87105 Ų10561%0.60863%0.633SS**THydrogen-bonded Turntrans-911.4-176.752.10000115.4D175D175-S179 PolarHBondContact O-OG 2.85Å; D175-S179 VanDerWaalsContact O-OG 3.07Å
180Q28.3Very low32.9Very low186 Ų186113.2 Ų113.287%0.86968%0.677SS**THydrogen-bonded Turntrans-110.66.8171.1-69-157.5-13.400114.9
181A28.9Very low30.9Very low92 Ų92114 Ų11476%0.7668%0.681SS**SBendtrans-99.62.4175.100000114.1
182S28.1Very low29.3Very low95 Ų95115.5 Ų115.566%0.66470%0.699SS**SBendtrans-144.769.4-178.9620000113.2
183S27.8Very low28.5Very low103 Ų103117.7 Ų117.772%0.7272%0.716SS**  trans-150.360.5150.971.30000110.1
184S25.4Very low27.3Very low125 Ų125120 Ų12087%0.87474%0.74SS**  trans-67.3118.6149.4510000108.2
185G24.8Very low27.6Very low58 Ų58116.9 Ų116.960%0.59873%0.734SS**  trans108.1102-174.400000108.6
186V24.8Very low27.1Very low140 Ų140117.8 Ų117.885%0.84874%0.739SS**  -143.1100.165.1-173.70000109.5
187S21.8Very low26.2Very low110 Ų110118.6 Ų118.677%0.76974%0.744SS**  trans-93.3142149.4-175.80000106.5
188S24.4Very low25.7Very low103 Ų103119.6 Ų119.672%0.7274%0.744SS**  trans63.296.4172.168.90000118.1
189V26.9Very low25.7Very low129 Ų129122 Ų12278%0.78276%0.756SS**  -149.776121.4-1720000107.7
190L21.1Very low25.3Very low174 Ų174126.9 Ų126.991%0.91177%0.769SS**  trans-103.281.7152.8-84169.9000105.4
191D23.3Very low25.1Very low133 Ų133126 Ų12671%0.71177%0.765SS**  trans-154.198.5165.4-99.1-36000105.6
192S23.1Very low24.7Very low94 Ų94131 Ų13166%0.65776%0.764SS**  72.593.79268.50000112.1
193T25.2Very low24.3Very low144 Ų144136.5 Ų136.588%0.88377%0.772SS**  174.1123.4129.544.40000111.4
194C20.4Very low24Very low119 Ų119140.1 Ų140.180%0.80478%0.777SS**  trans-67.9-164.9160.3-55.30000111.3
195P41.3Very low23.8Very low102 Ų102139 Ų13966%0.66277%0.769SS**  -125.5171.9-71.233.7-16.2000111.3
196N23Very low23.7Very low132 Ų132143.1 Ų143.171%0.70678%0.783SS**  trans150.8140.9132.3-82-8.1000114.7
197D22.3Very low23.5Very low121 Ų121141.3 Ų141.365%0.64777%0.772SS**  trans73.6104.5141.3-64.3-18.5000121.6
198H22Very low23.5Very low171 Ų171142.6 Ų142.679%0.79277%0.77SS**  43.5100.5118.7-63.2-63.3000118.1
199T28.3Very low23.5Very low145 Ų145145.4 Ų145.489%0.8978%0.776SS**  trans-145.3103.1137.430.60000109.3
200E19.5Very low23.1Very low189 Ų189146 Ų14688%0.88378%0.775SS**  trans-69.2140.2150.3-70.6-173.2148.300108.4
201E23.5Very low23.2Very low167 Ų167147.7 Ų147.778%0.7878%0.775SS**  trans161.8143.6152.2-94.9-164.7158.900106.7
202R21.3Very low23.2Very low197 Ų197150 Ų15074%0.74378%0.782SS**  cis-179.1134.7-9.6-155.5166.1-176.3173.8-2103
203Y20.6Very low23.6Very low211 Ų211150.7 Ų150.783%0.82778%0.784SS**  trans29.5129.9149.2-68.8-104.7000120.5
204Q21.4Very low23.7Very low179 Ų179152 Ų15284%0.83679%0.785SS**  -179.1133.293.2-94.2-171.5-12.300112.4
205S19.7Very low23.9Very low101 Ų101149.2 Ų149.271%0.70678%0.777SS**  trans-62133.5161.749.80000111.6
206V23.7Very low23.2Very low144 Ų144152.1 Ų152.187%0.87379%0.787SS**  trans-106.4105.1160178.90000107.4
207T20.6Very low23.3Very low103 Ų103151.5 Ų151.563%0.63279%0.793SS**  trans-79.2153163.537.90000110.5
208D22.1Very low23.6Very low136 Ų136151.3 Ų151.373%0.72780%0.798SS**  trans73.197.7155.9-54.4-28000119.3
209I23.9Very low23.7Very low163 Ų163150.7 Ų150.784%0.83680%0.801SS**  trans-125.896143.4-56.3178.8000107.7
210N19.7Very low23.4Very low142 Ų142151.1 Ų151.176%0.75980%0.796SS**  trans-90.7125.9159.5-89.5-36.5000108.1
211F21.6Very low23.7Very low208 Ų208148.1 Ų148.191%0.91279%0.793SS**  trans-145.9138.6148.9-99.4-77.7000110.9
212E24.4Very low23.7Very low183 Ų183145.3 Ų145.386%0.85579%0.792SS**  trans-72.7177.1-170.1-101.1-168.6173.800115.7
213P31.5Very low23.8Very low108 Ų108142.6 Ų142.670%0.70179%0.792SS**  trans-90.4138.3-154.235.5-32.1000113.3
214N27.9Very low23.9Very low170 Ų170139 Ų13991%0.90980%0.796SS**  trans-104.3111.7160.7-90.8-25.6000109.6
215G23.4Very low24.2Very low62 Ų62137.1 Ų137.164%0.63979%0.792SS**  trans-61.9135.7164.500000110.9
216N28Very low24.4Very low162 Ų162137.8 Ų137.887%0.86679%0.794SS**  trans-16794.3136.9-96.8-18.3000107.7P218N216-P218 WeakPolarHBondContact O-CD 3.39Å
217S24Very low24.5Very low119 Ų119137.7 Ų137.783%0.83279%0.793SS**PPolyproline II helixtrans-67.8129.5160.4-540000109.3
218P27.8Very low24.5Very low117 Ų117141.1 Ų141.176%0.7680%0.802SS**PPolyproline II helixtrans-92.9136.7149.912.56.3000109N216N216-P218 WeakPolarHBondContact O-CD 3.39Å
219N26Very low24.5Very low158 Ų158139.8 Ų139.885%0.84580%0.803SS**PPolyproline II helixtrans-52.3134.3-174.4-71-53.5000114.4
220I21.6Very low24.4Very low155 Ų155139.1 Ų139.180%0.79580%0.8SS**PPolyproline II helixtrans-78.2121.6158.6-63.3165.6000107.3S222I220-S222 PolarHBondContact O-N 3.31Å
221P24.6Very low24.3Very low126 Ų126140.1 Ų140.182%0.81880%0.8SS**  trans-80.2113.2160.6512.9000108.3
222S23.6Very low24.3Very low108 Ų108137.8 Ų137.876%0.75580%0.795SS**  trans-71.6152.1161.743.70000110.1I220I220-S222 PolarHBondContact O-N 3.31Å
223N24.7Very low24Very low139 Ų139136.4 Ų136.474%0.74379%0.792SS**  trans98.788.5165.5-136.522.8000116.8
224C21.9Very low23.6Very low135 Ų135134.4 Ų134.491%0.91279%0.791SS**  trans-137.5100.8152-84.90000108.6
225N27.1Very low23.4Very low141 Ų141132 Ų13275%0.75478%0.784SS**  trans-76.3162.3168.3-92.9-19.9000110.7
226P25.4Very low23.4Very low115 Ų115136 Ų13675%0.74780%0.796SS**  trans-78.7152.1-154.131.1-35.5000114.5E228P226-E228 PolarHBondContact O-N 3.37Å; P226-E228 VanDerWaalsContact O-N 3.16Å
227V23.9Very low23.2Very low142 Ų142138.9 Ų138.986%0.86180%0.795SS**  trans-65.6105-177.3179.40000110.7
228E21.7Very low23.1Very low175 Ų175140.4 Ų140.482%0.81879%0.794SS**  trans-75151.5163.4-80.3-179.3157.100111.7P226P226-E228 PolarHBondContact O-N 3.37Å; P226-E228 VanDerWaalsContact O-N 3.16Å
229S21.2Very low23Very low107 Ų107143.2 Ų143.275%0.74880%0.802SS**  trans-40.1131.5-178.7470000116.9Q231S229-Q231 PolarHBondContact O-N 3.26Å
230I21.8Very low22.8Very low150 Ų150140 Ų14077%0.76979%0.792SS**  trans-77.798.2172.3-59.2172.9000109.2I232I230-I232 HydrophobicContact CG2-CD1 4.48Å; I230-I232 HydrophobicContact CG2-CG1 3.81Å
231Q19Very low22.9Very low163 Ų163140 Ų14076%0.76279%0.793SS**  trans-84.1112.6158.9-79.8-173.3-18.300108.9S229 I233S229-Q231 PolarHBondContact O-N 3.26Å; Q231-I233 PolarHBondContact O-N 2.85Å
232I20.6Very low23Very low159 Ų159139.7 Ų139.782%0.81579%0.794SS**  trans-84.295.6171.4-55.4-177.1000107.9I230I230-I232 HydrophobicContact CG2-CD1 4.48Å; I230-I232 HydrophobicContact CG2-CG1 3.81Å
233I18.6Very low23Very low154 Ų154139.9 Ų139.979%0.7980%0.795SS**  trans-121.6111.1163.5-59.6176.8000107.2Q231Q231-I233 PolarHBondContact O-N 2.85Å
234G22.6Very low22.9Very low65 Ų65144.7 Ų144.767%0.6780%0.803SS**  trans-162137.9173.400000111.3
235P24.7Very low23Very low119 Ų119143.5 Ų143.577%0.77380%0.796SS**  trans-91.1150.2-154.735.7-35.3000114.7R237P235-R237 PolarHBondContact O-N 2.95Å
236V23.3Very low22.8Very low146 Ų146146.8 Ų146.889%0.88580%0.804SS**  trans-62.1116170-179.80000109
237R22.7Very low22.5Very low224 Ų224151.4 Ų151.485%0.84581%0.812SS**  trans-96.7122168.4-84.5-178.3167.8168.5-2.9109.2P235 L239P235-R237 PolarHBondContact O-N 2.95Å; R237-L239 PolarHBondContact O-N 3.27Å
238D22.4Very low22.5Very low151 Ų151149.6 Ų149.681%0.80781%0.806SS**  trans-51.1117.9168.5-81.5-44.9000111.1
239L25.8Very low22.6Very low176 Ų176146.7 Ų146.792%0.92181%0.805SS**  trans-103.462166.9-79161.8000108.9R237R237-L239 PolarHBondContact O-N 3.27Å
240S22.5Very low22.8Very low91 Ų91145.3 Ų145.364%0.63681%0.808SS**  trans-78.9127.7155.160.10000108.4
241N22.6Very low22.7Very low153 Ų153146.2 Ų146.282%0.81881%0.813SS**  trans88.885.9173.5-54.7-23.8000117
242S26.2Very low23Very low120 Ų120144.2 Ų144.284%0.83982%0.815SS**  -158.3106.7118.5-153.70000110.9R244S242-R244 PolarHBondContact O-N 3.29Å
243S23.5Very low23.2Very low113 Ų113145.6 Ų145.679%0.7982%0.818SS**  trans-68.3116.2171.8-42.50000109.6
244R24.4Very low23.4Very low239 Ų239147.4 Ų147.490%0.90282%0.823SS**  trans-156.5116.5150.1-110.3168.4-167.3-168.73.5110.4S242 F246S242-R244 PolarHBondContact O-N 3.29Å; R244-F246 PolarHBondContact O-N 2.85Å
245S22.2Very low23.5Very low110 Ų110152.9 Ų152.977%0.76984%0.836SS**  trans-54.9122.4-179.554.50000113.4
246F23.2Very low23.5Very low210 Ų210151.8 Ų151.892%0.92183%0.831SS**  trans-131.3123.5147.2-102.5-90.2000108.3R244 S248R244-F246 PolarHBondContact O-N 2.85Å; F246-S248 PolarHBondContact O-N 2.87Å
247K20.1Very low23.6Very low212 Ų212151.3 Ų151.392%0.92283%0.828SS**  trans-71.8119.2180-70.4174.6173.6178.20109.6
248S23.7Very low23.7Very low105 Ų105146.2 Ų146.273%0.73482%0.822SS**  trans-160.6119.5150.758.10000110.9F246F246-S248 PolarHBondContact O-N 2.87Å
249S24.2Very low23.8Very low113 Ų113143.8 Ų143.879%0.7982%0.817SS**SBendtrans43.2101.9145.458.30000119.3
250G24Very low23.8Very low78 Ų78141.3 Ų141.380%0.80481%0.809SS**  trans66.659.7130.700000117.4
251L21Very low23.8Very low169 Ų169143 Ų14389%0.88582%0.815SS**PPolyproline II helixtrans-78.5125155.8-88.8151.1000108.3
252P24.1Very low23.9Very low122 Ų122140.8 Ų140.879%0.79281%0.812SS**PPolyproline II helixtrans-69.2143.3171.212-2.5000110.4
253E24.7Very low23.8Very low188 Ų188141.7 Ų141.788%0.87981%0.808SS**PPolyproline II helixtrans-50.3153.3-178.2-67.6168145.500114L255E253-L255 PolarHBondContact O-N 3.46Å
254E24Very low24.1Very low192 Ų192141.8 Ų141.890%0.89781%0.805SS**  trans-22.6114.6174.6-77.1171.9139.700115.2S256E254-S256 PolarHBondContact O-N 3.22Å
255L24.9Very low24.1Very low179 Ų179137.3 Ų137.394%0.93780%0.799SS**  trans-59.3101.9171.8-71.3157.4000110.1E253E253-L255 PolarHBondContact O-N 3.46Å
256S23.1Very low24.2Very low96 Ų96140.6 Ų140.667%0.67181%0.805SS**  trans-84.4129.1170.255.50000110.2E254 T258E254-S256 PolarHBondContact O-N 3.22Å; S256-T258 PolarHBondContact O-N 3.38Å
257V25.7Very low24.4Very low136 Ų136140.1 Ų140.182%0.82480%0.802SS**  trans-67.696175.21780000108.5S259V257-S259 PolarHBondContact O-N 3.46Å
258T25.6Very low24.6Very low117 Ų117135 Ų13572%0.71879%0.793SS**  trans-90.795.9177.249.80000110.4S256S256-T258 PolarHBondContact O-N 3.38Å
259S25.1Very low24.8Very low100 Ų100138.5 Ų138.570%0.69980%0.803SS**  trans84.4131.2164.3770000119.1V257V257-S259 PolarHBondContact O-N 3.46Å
260V24.7Very low24.8Very low125 Ų125142.5 Ų142.576%0.75881%0.809SS**  trans-102.4115.3169.1175.70000106.4
261T23.8Very low25.2Very low125 Ų125147.5 Ų147.577%0.76781%0.811SS**  trans-111.2112.6174.253.30000110.4
262S23Very low25.7Very low108 Ų108145 Ų14576%0.75581%0.805SS**  trans-76.7116.3168.649.40000109.9P264S262-P264 WeakPolarHBondContact O-CD 3.39Å
263N25.5Very low26.1Very low139 Ų139148.4 Ų148.474%0.74381%0.811SS**  trans-75118.5177.4-164.8-6.6000110.3N265N263-N265 VanDerWaalsContact C-N 3.29Å; N263-N265 PolarHBondContact O-N 3.24Å
264P28.6Very low26.7Very low115 Ų115146 Ų14675%0.74780%0.803SS**  trans-78.91.4-171.8-1228.2000115.7S262 M266S262-P264 WeakPolarHBondContact O-CD 3.39Å; P264-M266 PolarHBondContact O-N 3.23Å
265N24.5Very low27.5Very low144 Ų144140.6 Ų140.677%0.7779%0.786SS**  trans-98.960.2-175-78.2-27.1000113.1N263N263-N265 VanDerWaalsContact C-N 3.29Å; N263-N265 PolarHBondContact O-N 3.24Å
266M25.5Very low28.8Very low179 Ų179135.5 Ų135.588%0.88276%0.763SS**  trans-137.791.9156.2-81.5-171.875.600109.3P264 S268P264-M266 PolarHBondContact O-N 3.23Å; M266-S268 PolarHBondContact O-N 2.8Å
267K25.8Very low30.3Very low201 Ų201134.5 Ų134.587%0.87475%0.749SS**  trans-75.4116.9167.7-77.9-178.6175.6177.70109.4
268S24.7Very low31.8Very low104 Ų104132 Ų13273%0.72773%0.734SS**  trans4995.3150.570.60000118.4M266M266-S268 PolarHBondContact O-N 2.8Å
269L28.9Very low33.5Very low179 Ų179127.4 Ų127.494%0.93771%0.709SS**  trans-142.1127133.5-100.1118000108.4Q271L269-Q271 PolarHBondContact O-N 2.84Å
270Q24.6Very low35.2Very low196 Ų196125.7 Ų125.792%0.91670%0.697SS**  trans-64.3113-172.5-65.8165.8-19.200111.2
271Q30.5Very low36.8Very low183 Ų183124 Ų12486%0.85568%0.683SS**  trans-163.9150.5154.2-106.6172.116.700108.7L269L269-Q271 PolarHBondContact O-N 2.84Å
272P32.1Very low38Very low116 Ų116126 Ų12675%0.75368%0.681SS**  trans-67.8138.6-158.327.5-32.8000111.9L274P272-L274 PolarHBondContact O-N 3.38Å
273E32.9Very low39Very low195 Ų195124.5 Ų124.591%0.91166%0.664SS**  trans-54.290.7-176.5-63.2179.9162.400112.3S275E273-S275 PolarHBondContact O-N 3.44Å
274L37.7Very low39.5Very low138 Ų138126.4 Ų126.472%0.72368%0.675SS**  trans-74.598.8157.2-81.6162000106.6P272 T276P272-L274 PolarHBondContact O-N 3.38Å; L274-T276 VanDerWaalsContact C-N 3.35Å; L274-T276 PolarHBondContact O-N 2.92Å; L274-T276 PolarHBondContact O-OG1 3.12Å
275S41Very low40.5Very low78 Ų78124 Ų12455%0.54567%0.671SS.*  trans-59.196.8174.859.50000109.3E273E273-S275 PolarHBondContact O-N 3.44Å
276T50.5Low41.5Very low72 Ų72121.1 Ų121.144%0.44266%0.662SS.*  trans-87.7121.9177.1-58.90000108L274 V278 L293 I300L274-T276 VanDerWaalsContact C-N 3.35Å; L274-T276 PolarHBondContact O-N 2.92Å; L274-T276 PolarHBondContact O-OG1 3.12Å; T276-V278 HydrophobicContact CG2-CG2 4.39Å; T276-L293 CarbonylContact C-O 3.6Å; T276-L293 WeakPolarHBondContact CA-O 3.5Å; T276-I300 HydrophobicContact CG2-CD1 4.21Å
277I55.3Low42.1Very low75 Ų75114.5 Ų114.539%0.38563%0.633SS.*EExtended strand (participates in β ladder)trans-91.4114.4176.6-60.1171.1000107.2L293I277-L293 HydrophobicContact CB-CB 4.24Å; I277-L293 HydrophobicContact CG2-CD1 4.43Å; I277-L293 PolarHBondContact N-O 3.05Å; I277-L293 WeakPolarHBondContact O-CB 3.49Å; I277-L293 PolarHBondContact O-N 2.91Å
278V57.3Low43.4Very low83 Ų83107.7 Ų107.750%0.50360%0.604SS.*EExtended strand (participates in β ladder)trans-96126.6175.8-176.80000108.7T276 V290 F291T276-V278 HydrophobicContact CG2-CG2 4.39Å; V278-V290 HydrophobicContact CG1-CG1 3.62Å; V278-F291 WeakPolarHBondContact CA-O 2.98Å
279G61.8Low44.9Very low20 Ų20107 Ų10721%0.20659%0.588CS.*EExtended strand (participates in β ladder)trans-124.6158.2171.900000110.9F291G279-F291 VanDerWaalsContact C-CE1 3.46Å; G279-F291 PolarHBondContact N-O 3.24Å; G279-F291 VanDerWaalsContact O-CD1 3.31Å; G279-F291 WeakPolarHBondContact O-CD1 3.19Å; G279-F291 WeakPolarHBondContact O-CE1 3.28Å; G279-F291 PolarHBondContact O-N 2.78Å
280S59.5Low46.5Very low64 Ų6499.6 Ų99.645%0.44855%0.55SS.*EExtended strand (participates in β ladder)trans-135.2146176.468.30000112.6E288 K289S280-E288 WeakPolarHBondContact CB-OE1 3.35Å; S280-E288 PolarHBondContact OG-OE1 3.29Å; S280-K289 CarbonylContact C-O 3.58Å; S280-K289 VanDerWaalsContact CA-O 3.27Å; S280-K289 WeakPolarHBondContact CA-O 3.42Å
281I58.9Low48.5Very low89 Ų8992.5 Ų92.546%0.45652%0.517SS..EExtended strand (participates in β ladder)trans-120.5117.2172.9-70.2154.1000107.4L283 K289 F291I281-L283 HydrophobicContact CG2-CD2 4.22Å; I281-L283 PolarHBondContact O-N 2.81Å; I281-K289 PolarHBondContact N-O 3.37Å; I281-K289 PolarHBondContact O-N 2.82Å; I281-F291 HydrophobicContact CD1-CD1 4.38Å; I281-F291 HydrophobicContact CD1-CE1 3.66Å; I281-F291 HydrophobicContact CD1-CZ 4.34Å; I281-F291 HydrophobicContact CG1-CE1 3.79Å; I281-F291 HydrophobicContact CG1-CZ 4.47Å
282K48.3Very low50.2Low168 Ų16885 Ų8573%0.7349%0.485SS*.EExtended strand (participates in β ladder)trans-71.1118.8165-80.7-176.4175.4179.20108.9E288K282-E288 HydrophobicContact CG-CG 4.48Å
283L43.8Very low51.8Low76 Ų7681 Ų8140%0.39846%0.457SS..EExtended strand (participates in β ladder)trans-85157.2165.5-63.5173.1000108.2I281 G285 C287 K289I281-L283 HydrophobicContact CG2-CD2 4.22Å; I281-L283 PolarHBondContact O-N 2.81Å; L283-G285 PolarHBondContact O-N 2.92Å; L283-C287 PolarHBondContact N-O 3.48Å; L283-K289 HydrophobicContact CD1-CD 4.01Å; L283-K289 HydrophobicContact CD1-CG 4.08Å
284N36.5Very low53.4Low179 Ų17973.8 Ų73.896%0.95742%0.424SS*.THydrogen-bonded Turntrans-46.7117.2176.5-73.9-13.5000110.8
285G49.8Very low54.9Low66 Ų6670.5 Ų70.568%0.6841%0.412SS*.THydrogen-bonded Turntrans101.4-161.5-177.400000114.8L283 C287L283-G285 PolarHBondContact O-N 2.92Å; G285-C287 PolarHBondContact O-N 3.48Å; G285-C287 VanDerWaalsContact O-N 3.14Å
286S46.8Very low56.4Low83 Ų8372.2 Ų72.258%0.5842%0.416SS*.THydrogen-bonded Turntrans-8328.1-174.4-42.30000114.2
287C37.8Very low57.2Low39 Ų3976.4 Ų76.426%0.26443%0.428SS..EExtended strand (participates in β ladder)trans-118.8118.6-173.1-159.10000109.9L283 G285 V304L283-C287 PolarHBondContact N-O 3.48Å; G285-C287 PolarHBondContact O-N 3.48Å; G285-C287 VanDerWaalsContact O-N 3.14Å; C287-V304 WeakPolarHBondContact SG-CG1 3.41Å
288E52.5Low57.6Low59 Ų5979.1 Ų79.128%0.27644%0.437SS..EExtended strand (participates in β ladder)trans-114.7125.5-179.6-170.8165.8-176.800109.8S280 K282 V290 Q305S280-E288 WeakPolarHBondContact CB-OE1 3.35Å; S280-E288 PolarHBondContact OG-OE1 3.29Å; K282-E288 HydrophobicContact CG-CG 4.48Å; E288-V290 HydrophobicContact CG-CG2 4.32Å; E288-Q305 PolarHBondContact N-O 3.36Å; E288-Q305 VanDerWaalsContact N-O 3.12Å; E288-Q305 PolarHBondContact O-N 2.95Å
289K56.9Low57.9Low90 Ų9080.3 Ų80.339%0.39144%0.44SS..EExtended strand (participates in β ladder)trans-89.4114.8168.2-86.3-174.5178.7178.70108.2S280 I281 L283 V302 V304S280-K289 CarbonylContact C-O 3.58Å; S280-K289 VanDerWaalsContact CA-O 3.27Å; S280-K289 WeakPolarHBondContact CA-O 3.42Å; I281-K289 PolarHBondContact N-O 3.37Å; I281-K289 PolarHBondContact O-N 2.82Å; L283-K289 HydrophobicContact CD1-CD 4.01Å; L283-K289 HydrophobicContact CD1-CG 4.08Å; K289-V302 HydrophobicContact CD-CG1 4.38Å; K289-V302 HydrophobicContact CG-CG1 4.42Å; K289-V304 HydrophobicContact CG-CG2 4.13Å
290V61.9Low58.3Low22 Ų2284 Ų8413%0.13345%0.454CS..EExtended strand (participates in β ladder)trans-97.2131.6172-175.70000107.8V278 E288 V302 S303 Q305V278-V290 HydrophobicContact CG1-CG1 3.62Å; E288-V290 HydrophobicContact CG-CG2 4.32Å; V290-V302 CarbonylContact O-C 3.57Å; V290-V302 WeakPolarHBondContact O-CA 3.42Å; V290-S303 PolarHBondContact N-O 2.9Å; V290-S303 PolarHBondContact O-N 3.49Å; V290-Q305 HydrophobicContact CG2-CG 4.34Å
291F66.4Low58.2Low48 Ų4883.7 Ų83.721%0.21145%0.451CS..EExtended strand (participates in β ladder)trans-126.9139.6176.551.4-86.9000110.6V278 G279 I281 L293 L299 S301 V302V278-F291 WeakPolarHBondContact CA-O 2.98Å; G279-F291 VanDerWaalsContact C-CE1 3.46Å; G279-F291 PolarHBondContact N-O 3.24Å; G279-F291 VanDerWaalsContact O-CD1 3.31Å; G279-F291 WeakPolarHBondContact O-CD1 3.19Å; G279-F291 WeakPolarHBondContact O-CE1 3.28Å; G279-F291 PolarHBondContact O-N 2.78Å; I281-F291 HydrophobicContact CD1-CD1 4.38Å; I281-F291 HydrophobicContact CD1-CE1 3.66Å; I281-F291 HydrophobicContact CD1-CZ 4.34Å; I281-F291 HydrophobicContact CG1-CE1 3.79Å; I281-F291 HydrophobicContact CG1-CZ 4.47Å; F291-L293 HydrophobicContact CD2-CD1 3.93Å; F291-L293 HydrophobicContact CD2-CG 4.05Å; F291-L293 HydrophobicContact CE2-CD1 3.87Å; F291-L293 HydrophobicContact CE2-CG 4.49Å; F291-L299 HydrophobicContact CB-CD1 3.62Å; F291-L299 HydrophobicContact CG-CD1 4.49Å; F291-S301 VanDerWaalsContact CA-O 3.26Å; F291-S301 WeakPolarHBondContact CA-O 3.34Å; F291-V302 HydrophobicContact CB-CG2 4.31Å
292S67.1Low58.2Low26 Ų2683 Ų8318%0.18245%0.452CS..EExtended strand (participates in β ladder)trans-105132174.1-65.10000109I300 S301S292-I300 WeakPolarHBondContact O-CB 3.49Å; S292-I300 PolarHBondContact O-N 2.77Å; S292-S301 PolarHBondContact N-O 3.28Å; S292-S301 PolarHBondContact O-N 2.96Å
293L64.6Low58.3Low32 Ų3277.7 Ų77.717%0.16844%0.435CS..EExtended strand (participates in β ladder)trans-115.8145.8177.9-62.5155.4000109.5T276 I277 F291 K297 K298 L299T276-L293 CarbonylContact C-O 3.6Å; T276-L293 WeakPolarHBondContact CA-O 3.5Å; I277-L293 HydrophobicContact CB-CB 4.24Å; I277-L293 HydrophobicContact CG2-CD1 4.43Å; I277-L293 PolarHBondContact N-O 3.05Å; I277-L293 WeakPolarHBondContact O-CB 3.49Å; I277-L293 PolarHBondContact O-N 2.91Å; F291-L293 HydrophobicContact CD2-CD1 3.93Å; F291-L293 HydrophobicContact CD2-CG 4.05Å; F291-L293 HydrophobicContact CE2-CD1 3.87Å; F291-L293 HydrophobicContact CE2-CG 4.49Å; L293-K297 WeakPolarHBondContact CD2-O 3.38Å; L293-K298 CarbonylContact C-O 3.59Å; L293-K298 VanDerWaalsContact CA-O 3.25Å; L293-K298 WeakPolarHBondContact CA-O 3.23Å; L293-L299 HydrophobicContact CD2-CB 4.48Å
294D66.5Low58.3Low42 Ų4277.9 Ų77.923%0.22544%0.439CS..  trans-75.9179.6168.571.18.8000111.6D296 K297 K298 I300D294-D296 PolarHBondContact O-N 3.36Å; D294-D296 VanDerWaalsContact OD1-C 3.32Å; D294-D296 WeakPolarHBondContact OD1-CA 3.35Å; D294-D296 WeakPolarHBondContact OD1-CB 3.32Å; D294-D296 PolarHBondContact OD1-N 2.98Å; D294-K297 PolarHBondContact O-N 3.36Å; D294-K297 PolarHBondContact OD1-N 2.68Å; D294-K297 VanDerWaalsContact OD1-N 3.11Å; D294-K298 PolarHBondContact N-O 3.08Å; D294-K298 WeakPolarHBondContact OD1-CB 3.38Å; D294-K298 PolarHBondContact OD1-N 3.14Å; D294-I300 HydrophobicContact CB-CD1 3.82Å; D294-I300 HydrophobicContact CB-CG1 4.01Å
295S69.9Low58.4Low69 Ų6974.7 Ų74.748%0.48342%0.419SS..THydrogen-bonded Turntrans-58.6-23.617644.90000114.1K297S295-K297 VanDerWaalsContact C-N 3.32Å
296D72.2Confident57.9Low114 Ų11474.6 Ų74.661%0.6141%0.405SS*.THydrogen-bonded Turntrans-91.18.1176.5-71-14.7000112.5D294 K298D294-D296 PolarHBondContact O-N 3.36Å; D294-D296 VanDerWaalsContact OD1-C 3.32Å; D294-D296 WeakPolarHBondContact OD1-CA 3.35Å; D294-D296 WeakPolarHBondContact OD1-CB 3.32Å; D294-D296 PolarHBondContact OD1-N 2.98Å; D296-K298 VanDerWaalsContact C-N 3.26Å; D296-K298 HydrophobicContact CB-CD 4.5Å; D296-K298 HydrophobicContact CB-CG 4.39Å; D296-K298 PolarHBondContact O-N 3.26Å
297K68.4Low57.4Low160 Ų16078.8 Ų78.870%0.69642%0.416SS*.  trans60.828.8-173.6-53.9-180179.9178.90113.6L293 D294 S295L293-K297 WeakPolarHBondContact CD2-O 3.38Å; D294-K297 PolarHBondContact O-N 3.36Å; D294-K297 PolarHBondContact OD1-N 2.68Å; D294-K297 VanDerWaalsContact OD1-N 3.11Å; S295-K297 VanDerWaalsContact C-N 3.32Å
298K63.8Low57.7Low132 Ų13281.8 Ų81.857%0.57443%0.428SS*.  trans-89.7138.4171-65.6175.1-177.61590110.4L293 D294 D296 I300L293-K298 CarbonylContact C-O 3.59Å; L293-K298 VanDerWaalsContact CA-O 3.25Å; L293-K298 WeakPolarHBondContact CA-O 3.23Å; D294-K298 PolarHBondContact N-O 3.08Å; D294-K298 WeakPolarHBondContact OD1-CB 3.38Å; D294-K298 PolarHBondContact OD1-N 3.14Å; D296-K298 VanDerWaalsContact C-N 3.26Å; D296-K298 HydrophobicContact CB-CD 4.5Å; D296-K298 HydrophobicContact CB-CG 4.39Å; D296-K298 PolarHBondContact O-N 3.26Å; K298-I300 PolarHBondContact O-N 2.78Å
299L63.3Low56.9Low108 Ų10884.2 Ų84.257%0.56545%0.447SS*.EExtended strand (participates in β ladder)trans-66.5115.7-177.7-174.469000110.8F291 L293 V302F291-L299 HydrophobicContact CB-CD1 3.62Å; F291-L299 HydrophobicContact CG-CD1 4.49Å; L293-L299 HydrophobicContact CD2-CB 4.48Å; L299-V302 HydrophobicContact CD1-CG2 3.76Å; L299-V302 HydrophobicContact CD2-CG2 3.75Å; L299-V302 HydrophobicContact CG-CG2 4.12Å
300I69.2Low56.3Low99 Ų9984 Ų8451%0.50845%0.45SS..EExtended strand (participates in β ladder)trans-86.8-45.6175.9-58.5171.7000110.1T276 S292 D294 K298T276-I300 HydrophobicContact CG2-CD1 4.21Å; S292-I300 WeakPolarHBondContact O-CB 3.49Å; S292-I300 PolarHBondContact O-N 2.77Å; D294-I300 HydrophobicContact CB-CD1 3.82Å; D294-I300 HydrophobicContact CB-CG1 4.01Å; K298-I300 PolarHBondContact O-N 2.78Å
301S58.7Low55.4Low56 Ų5692.8 Ų92.839%0.39249%0.49SS..EExtended strand (participates in β ladder)trans-157.4155.1-177.663.40000112.1F291 S292F291-S301 VanDerWaalsContact CA-O 3.26Å; F291-S301 WeakPolarHBondContact CA-O 3.34Å; S292-S301 PolarHBondContact N-O 3.28Å; S292-S301 PolarHBondContact O-N 2.96Å
302V58.1Low55.1Low76 Ų7695 Ų9546%0.46151%0.511SS..EExtended strand (participates in β ladder)trans-126123.4169.2-179.90000107.2K289 V290 F291 L299K289-V302 HydrophobicContact CD-CG1 4.38Å; K289-V302 HydrophobicContact CG-CG1 4.42Å; V290-V302 CarbonylContact O-C 3.57Å; V290-V302 WeakPolarHBondContact O-CA 3.42Å; F291-V302 HydrophobicContact CB-CG2 4.31Å; L299-V302 HydrophobicContact CD1-CG2 3.76Å; L299-V302 HydrophobicContact CD2-CG2 3.75Å; L299-V302 HydrophobicContact CG-CG2 4.12Å
303S49.5Very low55Low55 Ų5595.6 Ų95.639%0.38551%0.512SS..EExtended strand (participates in β ladder)trans-118.5140.9169.5560000109.5V290V290-S303 PolarHBondContact N-O 2.9Å; V290-S303 PolarHBondContact O-N 3.49Å
304V45.2Very low56.1Low80 Ų80100.5 Ų100.549%0.48553%0.534SS..EExtended strand (participates in β ladder)trans-95.1117171.6-179.50000106.3C287 K289C287-V304 WeakPolarHBondContact SG-CG1 3.41Å; K289-V304 HydrophobicContact CG-CG2 4.13Å
305Q37.5Very low57.4Low112 Ų112103.1 Ų103.152%0.52354%0.544SS..EExtended strand (participates in β ladder)trans-99.1121.1169-70.9-170.9-7.300108.2E288 V290E288-Q305 PolarHBondContact N-O 3.36Å; E288-Q305 VanDerWaalsContact N-O 3.12Å; E288-Q305 PolarHBondContact O-N 2.95Å; V290-Q305 HydrophobicContact CG2-CG 4.34Å
306T40.1Very low58.5Low65 Ų65100.9 Ų100.940%0.39953%0.526SS..  trans-116.195.9172.2-22.60000107.1L308T306-L308 HydrophobicContact CG2-CD1 4.22Å; T306-L308 HydrophobicContact CG2-CD2 3.76Å; T306-L308 HydrophobicContact CG2-CG 3.62Å; T306-L308 PolarHBondContact O-N 2.74Å
307E36.6Very low59.6Low171 Ų17199.1 Ų99.180%0.79952%0.52SS*.  trans-75.584.4162.4-76.2-169.3165.300107.7V309E307-V309 VanDerWaalsContact C-N 3.29Å; E307-V309 PolarHBondContact O-N 3.18Å; E307-V309 VanDerWaalsContact O-N 3.12Å
308L42.8Very low60.9Low102 Ų10291.5 Ų91.553%0.53449%0.486SS..  trans-81.678.1170.6-67.9174.5000109.3T306T306-L308 HydrophobicContact CG2-CD1 4.22Å; T306-L308 HydrophobicContact CG2-CD2 3.76Å; T306-L308 HydrophobicContact CG2-CG 3.62Å; T306-L308 PolarHBondContact O-N 2.74Å
309V37.3Very low62.3Low110 Ų11089.4 Ų89.467%0.66748%0.482SS*.  trans-110.591.6151.8-169.80000105.7E307 E311E307-V309 VanDerWaalsContact C-N 3.29Å; E307-V309 PolarHBondContact O-N 3.18Å; E307-V309 VanDerWaalsContact O-N 3.12Å; V309-E311 PolarHBondContact O-N 3.46Å
310N42.7Very low63.7Low85 Ų8587.5 Ų87.546%0.45549%0.488SS..  trans-59.4123.8163-82.6-24.6000106.3S312 D313N310-S312 PolarHBondContact O-N 2.64Å; N310-D313 WeakPolarHBondContact O-CB 3.2Å; N310-D313 PolarHBondContact O-N 3.32Å
311E44.6Very low65Low206 Ų20688.2 Ų88.296%0.96349%0.488SS*.THydrogen-bonded Turntrans-56.7-14.2177-69.7-178.815400112.9V309V309-E311 PolarHBondContact O-N 3.46Å
312S58.8Low66.7Low94 Ų9492.5 Ų92.566%0.65750%0.499SS*.THydrogen-bonded Turntrans-87.3-8.4174.762.10000115.6N310 Q314N310-S312 PolarHBondContact O-N 2.64Å; S312-Q314 PolarHBondContact O-N 2.96Å; S312-Q314 VanDerWaalsContact O-N 3.16Å
313D65Low68.3Low40 Ų4089 Ų8921%0.21448%0.477CS..  trans-72.1111.7-174-79.7-0.8000110.5N310 F315 R324N310-D313 WeakPolarHBondContact O-CB 3.2Å; N310-D313 PolarHBondContact O-N 3.32Å; D313-F315 HydrophobicContact CB-CD2 4.45Å; D313-F315 HydrophobicContact CB-CE2 3.68Å; D313-F315 HydrophobicContact CB-CZ 4.19Å; D313-F315 VanDerWaalsContact O-CD2 3.25Å; D313-F315 WeakPolarHBondContact O-CD2 3.41Å; D313-F315 WeakPolarHBondContact O-CE2 3.15Å; D313-R324 WeakPolarHBondContact OD2-CD 3.37Å
314Q88Confident70.2Confident135 Ų13589.8 Ų89.863%0.63147%0.472SS*.  trans-79.2134.1174.9-66.8-178.11.700109.8S312 V325S312-Q314 PolarHBondContact O-N 2.96Å; S312-Q314 VanDerWaalsContact O-N 3.16Å; Q314-V325 HydrophobicContact CB-CB 4.11Å; Q314-V325 HydrophobicContact CB-CG2 4.42Å; Q314-V325 WeakPolarHBondContact O-CB 3.36Å; Q314-V325 PolarHBondContact O-N 3.27Å
315F93.1Very high72.3Confident96 Ų9686.9 Ų86.942%0.42146%0.455SS..EExtended strand (participates in β ladder)trans-119.9141.1175.8-68.4-93.5000111.1D313 K322 Y323 R324D313-F315 HydrophobicContact CB-CD2 4.45Å; D313-F315 HydrophobicContact CB-CE2 3.68Å; D313-F315 HydrophobicContact CB-CZ 4.19Å; D313-F315 VanDerWaalsContact O-CD2 3.25Å; D313-F315 WeakPolarHBondContact O-CD2 3.41Å; D313-F315 WeakPolarHBondContact O-CE2 3.15Å; F315-K322 HydrophobicContact CD1-CB 4.06Å; F315-Y323 CarbonylContact C-O 3.6Å; F315-Y323 VanDerWaalsContact CA-O 3.32Å; F315-Y323 WeakPolarHBondContact CA-O 3.17Å; F315-R324 HydrophobicContact CD1-CB 4.01Å; F315-R324 HydrophobicContact CE1-CB 3.63Å; F315-R324 HydrophobicContact CE1-CG 4.03Å; F315-R324 HydrophobicContact CZ-CB 4.27Å; F315-R324 HydrophobicContact CZ-CG 4.18Å
316I94Very high74.5Confident23 Ų2383.3 Ų83.312%0.11844%0.439CS..EExtended strand (participates in β ladder)trans-105.7126.3165.4-62.7168000107.1V318 Y323 V325 Y338 V350 I396I316-V318 HydrophobicContact CG2-CG2 4.01Å; I316-Y323 PolarHBondContact N-O 3.28Å; I316-Y323 PolarHBondContact O-N 3.34Å; I316-V325 HydrophobicContact CB-CG2 4.47Å; I316-V325 HydrophobicContact CD1-CG2 3.6Å; I316-V325 HydrophobicContact CG1-CG2 3.6Å; I316-Y338 HydrophobicContact CD1-CD2 3.6Å; I316-Y338 HydrophobicContact CD1-CE2 4.13Å; I316-Y338 HydrophobicContact CD1-CG 4.04Å; I316-V350 HydrophobicContact CD1-CB 4.36Å; I316-V350 HydrophobicContact CD1-CG1 3.89Å; I316-V350 HydrophobicContact CG2-CG1 4.09Å; I316-I396 HydrophobicContact CG2-CD1 4.13Å; I316-I396 HydrophobicContact CG2-CG2 4.31Å
317T94.6Very high76.5Confident76 Ų7682.9 Ų82.947%0.46643%0.434SS..EExtended strand (participates in β ladder)trans-99.8126.3176-55.40000109.5K321T317-K321 CarbonylContact C-O 3.41Å; T317-K321 VanDerWaalsContact CA-O 3.31Å; T317-K321 WeakPolarHBondContact CA-O 3.4Å
318V95.5Very high78.9Confident0 Ų078.6 Ų78.60%041%0.414CS..EExtended strand (participates in β ladder)trans-127.4120.4176.9-171.70000107.3I316 G320 K321 Y323 H389 I396 V398I316-V318 HydrophobicContact CG2-CG2 4.01Å; V318-G320 PolarHBondContact O-N 3.42Å; V318-G320 VanDerWaalsContact O-N 3.08Å; V318-K321 PolarHBondContact N-O 3.19Å; V318-K321 WeakPolarHBondContact O-CB 3.36Å; V318-K321 PolarHBondContact O-N 3.12Å; V318-Y323 HydrophobicContact CB-CD2 4.3Å; V318-Y323 HydrophobicContact CB-CE2 3.84Å; V318-Y323 HydrophobicContact CG2-CD2 4.05Å; V318-Y323 HydrophobicContact CG2-CE2 4.02Å; V318-H389 HydrophobicContact CG1-CB 3.69Å; V318-I396 HydrophobicContact CG2-CB 4.44Å; V318-I396 HydrophobicContact CG2-CG2 3.68Å; V318-V398 HydrophobicContact CB-CG2 4.08Å; V318-V398 HydrophobicContact CG1-CG2 3.99Å; V318-V398 HydrophobicContact CG2-CG2 3.74Å
319N94.5Very high80.7Confident88 Ų8877.7 Ų77.747%0.47141%0.409SS..THydrogen-bonded Turntrans48.139.8-179.6-62.1-32.4000114K321 D387 Y388 H389N319-K321 VanDerWaalsContact C-N 3.27Å; N319-K321 PolarHBondContact O-N 3.4Å; N319-D387 PolarHBondContact ND2-OD1 2.81Å; N319-D387 PolarHBondContact ND2-OD2 2.81Å; N319-Y388 PolarHBondContact ND2-O 3.09Å; N319-H389 PolarHBondContact OD1-ND1 2.87Å
320G92.6Very high82.9Confident68 Ų6873.9 Ų73.970%0.70139%0.393SS*.THydrogen-bonded Turntrans82.2-10.8-179.300000115.5V318V318-G320 PolarHBondContact O-N 3.42Å; V318-G320 VanDerWaalsContact O-N 3.08Å
321K95.4Very high84.9Confident115 Ų11577.4 Ų77.450%0.540%0.399SS..EExtended strand (participates in β ladder)trans-86.5133173.7-65.8179.4179.8178.80110.7T317 V318 N319 Y323T317-K321 CarbonylContact C-O 3.41Å; T317-K321 VanDerWaalsContact CA-O 3.31Å; T317-K321 WeakPolarHBondContact CA-O 3.4Å; V318-K321 PolarHBondContact N-O 3.19Å; V318-K321 WeakPolarHBondContact O-CB 3.36Å; V318-K321 PolarHBondContact O-N 3.12Å; N319-K321 VanDerWaalsContact C-N 3.27Å; N319-K321 PolarHBondContact O-N 3.4Å; K321-Y323 HydrophobicContact CB-CE2 3.87Å
322K94.2Very high86.5Confident145 Ų14569.6 Ų69.663%0.6338%0.375SS*.EExtended strand (participates in β ladder)trans-92.4130.4177.4-68.7-175.5178.8-1790110.4F315F315-K322 HydrophobicContact CD1-CB 4.06Å
323Y92.2Very high87.1Confident2 Ų269.7 Ų69.71%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-114117.3173.4-62.6-95.2000108.9F315 I316 V318 K321 V325 M341 D342 W348 V398F315-Y323 CarbonylContact C-O 3.6Å; F315-Y323 VanDerWaalsContact CA-O 3.32Å; F315-Y323 WeakPolarHBondContact CA-O 3.17Å; I316-Y323 PolarHBondContact N-O 3.28Å; I316-Y323 PolarHBondContact O-N 3.34Å; V318-Y323 HydrophobicContact CB-CD2 4.3Å; V318-Y323 HydrophobicContact CB-CE2 3.84Å; V318-Y323 HydrophobicContact CG2-CD2 4.05Å; V318-Y323 HydrophobicContact CG2-CE2 4.02Å; K321-Y323 HydrophobicContact CB-CE2 3.87Å; Y323-V325 PolarHBondContact O-N 3.5Å; Y323-M341 CarbonylContact C-O 3.6Å; Y323-M341 WeakPolarHBondContact CA-O 3.37Å; Y323-D342 HydrophobicContact CD1-CB 4.19Å; Y323-D342 HydrophobicContact CE1-CB 4.09Å; Y323-W348 HydrophobicContact CD1-CB 4.47Å; Y323-W348 AromaticContact CD1-CD1 3.75Å; Y323-W348 HydrophobicContact CD1-CG 4.26Å; Y323-W348 AromaticContact CE1-CD1 3.62Å; Y323-W348 HydrophobicContact CE1-CG 4.06Å; Y323-W348 AromaticContact CE1-NE1 3.98Å; Y323-V398 HydrophobicContact CD1-CG1 4.37Å; Y323-V398 HydrophobicContact CE1-CG1 3.66Å; Y323-V398 HydrophobicContact CE1-CG2 4.43Å; Y323-V398 HydrophobicContact CE2-CG2 4.05Å
324R88.8Confident87.8Confident72 Ų7269.5 Ų69.527%0.27239%0.392SS..EExtended strand (participates in β ladder)trans-72.8118176.6-174.4176.666.5174.5-1.1109.4D313 F315 I326 A340 M341D313-R324 WeakPolarHBondContact OD2-CD 3.37Å; F315-R324 HydrophobicContact CD1-CB 4.01Å; F315-R324 HydrophobicContact CE1-CB 3.63Å; F315-R324 HydrophobicContact CE1-CG 4.03Å; F315-R324 HydrophobicContact CZ-CB 4.27Å; F315-R324 HydrophobicContact CZ-CG 4.18Å; R324-I326 HydrophobicContact CG-CD1 4.34Å; R324-A340 CarbonylContact O-C 3.54Å; R324-A340 WeakPolarHBondContact O-CA 3.22Å; R324-A340 WeakPolarHBondContact O-CB 3.3Å; R324-M341 PolarHBondContact N-O 3.49Å; R324-M341 PolarHBondContact O-N 3.22Å
325V89.1Confident87.8Confident20 Ų2064 Ų6412%0.12137%0.369CS..EExtended strand (participates in β ladder)trans-75131.7177.9179.90000109.6Q314 I316 Y323 Y338Q314-V325 HydrophobicContact CB-CB 4.11Å; Q314-V325 HydrophobicContact CB-CG2 4.42Å; Q314-V325 WeakPolarHBondContact O-CB 3.36Å; Q314-V325 PolarHBondContact O-N 3.27Å; I316-V325 HydrophobicContact CB-CG2 4.47Å; I316-V325 HydrophobicContact CD1-CG2 3.6Å; I316-V325 HydrophobicContact CG1-CG2 3.6Å; Y323-V325 PolarHBondContact O-N 3.5Å; V325-Y338 HydrophobicContact CG1-CD1 3.79Å; V325-Y338 HydrophobicContact CG1-CG 4.25Å
326I83.9Confident87.7Confident37 Ų3760.2 Ų60.219%0.1935%0.353CS..EExtended strand (participates in β ladder)trans-103.7-48.5-180-53.3-55.9000111.1K135 R324 W339 M341K135-I326 HydrophobicContact CB-CG2 3.96Å; K135-I326 HydrophobicContact CD-CG2 3.75Å; K135-I326 HydrophobicContact CG-CG2 4.35Å; R324-I326 HydrophobicContact CG-CD1 4.34Å; I326-W339 HydrophobicContact CB-CD2 4.18Å; I326-W339 HydrophobicContact CB-CG 4.29Å; I326-W339 HydrophobicContact CG2-CD2 4.24Å; I326-W339 HydrophobicContact CG2-CE3 4.18Å; I326-W339 HydrophobicContact CG2-CZ3 4.29Å; I326-W339 PolarHBondContact N-O 3.32Å; I326-M341 HydrophobicContact CD1-CE 3.17Å; I326-M341 HydrophobicContact CG1-CE 3.29Å
327N82.7Confident87.6Confident56 Ų5660.9 Ų60.930%0.29936%0.358SS..EExtended strand (participates in β ladder)trans-165.1163.9175.860.9-65.2000110.8Y338 W339N327-Y338 WeakPolarHBondContact O-CA 3.45Å; N327-W339 PolarHBondContact N-O 3.19Å; N327-W339 PolarHBondContact O-N 3.45Å
328E86.9Confident87.6Confident80 Ų8059.4 Ų59.437%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-71.3132.8165.7-171.8169.7143.900109.9R331 V336 Y338E328-R331 WeakPolarHBondContact OE1-CB 3.36Å; E328-R331 IonicContact OE1-CZ 2.68Å; E328-R331 IonicContact OE1-NE 3.55Å; E328-R331 PolarHBondContact OE1-NE 3.28Å; E328-R331 IonicContact OE1-NH2 2.94Å; E328-R331 PolarHBondContact OE1-NH2 3.26Å; E328-R331 IonicContact OE2-CZ 2.92Å; E328-R331 IonicContact OE2-NE 2.69Å; E328-R331 IonicContact OE2-NH2 3.47Å; E328-R331 PolarHBondContact OE2-NH2 2.95Å; E328-V336 HydrophobicContact CG-CG1 3.74Å; E328-Y338 HydrophobicContact CB-CD1 4.45Å
329L81.6Confident87.2Confident83 Ų8359.9 Ų59.944%0.43535%0.346SS..EExtended strand (participates in β ladder)trans-92-32.2171.9-70.4175.3000111.4V337 W339 A349 K401L329-V337 HydrophobicContact CB-CB 4.42Å; L329-V337 HydrophobicContact CB-CG1 4.29Å; L329-V337 HydrophobicContact CD1-CG1 4.21Å; L329-V337 PolarHBondContact N-O 3.23Å; L329-W339 HydrophobicContact CD1-CB 3.93Å; L329-W339 HydrophobicContact CD2-CB 3.91Å; L329-W339 HydrophobicContact CG-CB 3.77Å; L329-A349 HydrophobicContact CD1-CB 4.31Å; L329-K401 HydrophobicContact CD1-CG 4.44Å
330G82Confident87Confident31 Ų3155.7 Ų55.732%0.3232%0.324SS..EExtended strand (participates in β ladder)trans178.8164.217700000112.6V337G330-V337 PolarHBondContact N-O 3.4Å; G330-V337 PolarHBondContact O-N 2.82Å
331R85Confident86.6Confident158 Ų15852.5 Ų52.560%0.59629%0.291SS*.EExtended strand (participates in β ladder)trans-139.9131.4-178.4171.3-178.7-53.2-98.42.5110.4E328 V336E328-R331 WeakPolarHBondContact OE1-CB 3.36Å; E328-R331 IonicContact OE1-CZ 2.68Å; E328-R331 IonicContact OE1-NE 3.55Å; E328-R331 PolarHBondContact OE1-NE 3.28Å; E328-R331 IonicContact OE1-NH2 2.94Å; E328-R331 PolarHBondContact OE1-NH2 3.26Å; E328-R331 IonicContact OE2-CZ 2.92Å; E328-R331 IonicContact OE2-NE 2.69Å; E328-R331 IonicContact OE2-NH2 3.47Å; E328-R331 PolarHBondContact OE2-NH2 2.95Å; R331-V336 HydrophobicContact CB-CG1 4.44Å; R331-V336 HydrophobicContact CB-CG2 4.5Å; R331-V336 HydrophobicContact CG-CG2 4.15Å; R331-V336 VanDerWaalsContact CZ-CG2 3.5Å
332G77.7Confident86.1Confident43 Ų4348.2 Ų48.244%0.44327%0.273SS..  trans-108.7-167.8169.900000111.4S335G332-S335 PolarHBondContact N-O 2.79Å
333G73.3Confident85.7Confident95 Ų9546.4 Ų46.498%0.97928%0.279SS*.SBendtrans-65.6-40.9-178.100000114.2
334S79.4Confident85.1Confident36 Ų3652 Ų5225%0.25231%0.309SS..SBendtrans-115.7-0.4-177.357.90000114V353 D354 Y366S334-V353 WeakPolarHBondContact O-CA 3.34Å; S334-D354 PolarHBondContact O-N 2.79Å; S334-Y366 PolarHBondContact OG-OH 3.01Å; S334-Y366 VanDerWaalsContact OG-OH 3.12Å
335S86.6Confident84.5Confident21 Ų2151.5 Ų51.515%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-146152.7-172.263.60000113.8G332 K352G332-S335 PolarHBondContact N-O 2.79Å; S335-K352 CarbonylContact C-O 3.58Å; S335-K352 WeakPolarHBondContact CA-O 3.47Å; S335-K352 WeakPolarHBondContact CB-O 3.38Å
336V91Very high83.9Confident16 Ų1652.7 Ų52.710%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-128.3135173.9-169.20000108E328 R331 Y338 K352E328-V336 HydrophobicContact CG-CG1 3.74Å; R331-V336 HydrophobicContact CB-CG1 4.44Å; R331-V336 HydrophobicContact CB-CG2 4.5Å; R331-V336 HydrophobicContact CG-CG2 4.15Å; R331-V336 VanDerWaalsContact CZ-CG2 3.5Å; V336-Y338 HydrophobicContact CB-CE2 3.84Å; V336-Y338 HydrophobicContact CG1-CD1 4.46Å; V336-Y338 HydrophobicContact CG1-CD2 4.35Å; V336-Y338 HydrophobicContact CG1-CE1 3.85Å; V336-Y338 HydrophobicContact CG1-CE2 3.73Å; V336-Y338 VanDerWaalsContact CG1-CZ 3.44Å; V336-K352 PolarHBondContact N-O 2.83Å; V336-K352 PolarHBondContact O-N 3.25Å
337V93.4Very high83.8Confident37 Ų3752.1 Ų52.122%0.22432%0.316CS..EExtended strand (participates in β ladder)trans-108.1125.2175.3-171.80000108.4L329 G330 A349 V350 K351L329-V337 HydrophobicContact CB-CB 4.42Å; L329-V337 HydrophobicContact CB-CG1 4.29Å; L329-V337 HydrophobicContact CD1-CG1 4.21Å; L329-V337 PolarHBondContact N-O 3.23Å; G330-V337 PolarHBondContact N-O 3.4Å; G330-V337 PolarHBondContact O-N 2.82Å; V337-A349 HydrophobicContact CG1-CB 4.26Å; V337-V350 WeakPolarHBondContact CA-O 3.22Å; V337-K351 HydrophobicContact CG2-CB 4.08Å; V337-K351 HydrophobicContact CG2-CG 4.03Å
338Y93.4Very high84.1Confident45 Ų4550.5 Ų50.518%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-106.8145.5176.8-59.8-82000110.5I316 V325 N327 E328 V336 A349 V350 K352I316-Y338 HydrophobicContact CD1-CD2 3.6Å; I316-Y338 HydrophobicContact CD1-CE2 4.13Å; I316-Y338 HydrophobicContact CD1-CG 4.04Å; V325-Y338 HydrophobicContact CG1-CD1 3.79Å; V325-Y338 HydrophobicContact CG1-CG 4.25Å; N327-Y338 WeakPolarHBondContact O-CA 3.45Å; E328-Y338 HydrophobicContact CB-CD1 4.45Å; V336-Y338 HydrophobicContact CB-CE2 3.84Å; V336-Y338 HydrophobicContact CG1-CD1 4.46Å; V336-Y338 HydrophobicContact CG1-CD2 4.35Å; V336-Y338 HydrophobicContact CG1-CE1 3.85Å; V336-Y338 HydrophobicContact CG1-CE2 3.73Å; V336-Y338 VanDerWaalsContact CG1-CZ 3.44Å; Y338-A349 CarbonylContact O-C 3.59Å; Y338-A349 WeakPolarHBondContact O-CA 3.42Å; Y338-V350 PolarHBondContact N-O 3.06Å; Y338-V350 PolarHBondContact O-N 2.82Å; Y338-K352 HydrophobicContact CE2-CB 4.32Å
339W88.4Confident84.4Confident9 Ų947.1 Ų47.13%0.03429%0.291CS..EExtended strand (participates in β ladder)trans-83.1121.5156.5175.614000107.4K135 C136 I326 N327 L329 K401K135-W339 HydrophobicContact CB-CH2 4.47Å; C136-W339 HydrophobicContact CB-CH2 4.23Å; C136-W339 HydrophobicContact CB-CZ2 3.58Å; I326-W339 HydrophobicContact CB-CD2 4.18Å; I326-W339 HydrophobicContact CB-CG 4.29Å; I326-W339 HydrophobicContact CG2-CD2 4.24Å; I326-W339 HydrophobicContact CG2-CE3 4.18Å; I326-W339 HydrophobicContact CG2-CZ3 4.29Å; I326-W339 PolarHBondContact N-O 3.32Å; N327-W339 PolarHBondContact N-O 3.19Å; N327-W339 PolarHBondContact O-N 3.45Å; L329-W339 HydrophobicContact CD1-CB 3.93Å; L329-W339 HydrophobicContact CD2-CB 3.91Å; L329-W339 HydrophobicContact CG-CB 3.77Å; W339-K401 HydrophobicContact CD2-CD 4.34Å; W339-K401 HydrophobicContact CG-CD 4.05Å
340A88.8Confident85.1Confident0 Ų043.1 Ų43.10%027%0.27CS..EExtended strand (participates in β ladder)trans-128.4169174.700000111.8R324 W348 V350R324-A340 CarbonylContact O-C 3.54Å; R324-A340 WeakPolarHBondContact O-CA 3.22Å; R324-A340 WeakPolarHBondContact O-CB 3.3Å; A340-W348 PolarHBondContact N-O 3.13Å; A340-W348 PolarHBondContact O-N 2.86Å; A340-V350 HydrophobicContact CB-CG2 3.74Å
341M85.1Confident85.7Confident1 Ų142.7 Ų42.71%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-126.2143.5171.8-93.2173.1-84.100111.1K135 C136 Y323 R324 I326 L345 N346K135-M341 WeakPolarHBondContact O-CE 3.31Å; C136-M341 HydrophobicContact CB-CE 4.01Å; C136-M341 HydrophobicContact CB-SD 3.98Å; Y323-M341 CarbonylContact C-O 3.6Å; Y323-M341 WeakPolarHBondContact CA-O 3.37Å; R324-M341 PolarHBondContact N-O 3.49Å; R324-M341 PolarHBondContact O-N 3.22Å; I326-M341 HydrophobicContact CD1-CE 3.17Å; I326-M341 HydrophobicContact CG1-CE 3.29Å; M341-L345 HydrophobicContact SD-CB 4.33Å; M341-L345 HydrophobicContact SD-CD2 4.15Å; M341-N346 VanDerWaalsContact CA-O 3.3Å; M341-N346 WeakPolarHBondContact CA-O 3.1Å
342D85.6Confident86.2Confident26 Ų2639.1 Ų39.114%0.13925%0.249CC..  trans-80.8-175.1168.165.516.1000111.8Y323 D344 L345 N346 W348Y323-D342 HydrophobicContact CD1-CB 4.19Å; Y323-D342 HydrophobicContact CE1-CB 4.09Å; D342-D344 PolarHBondContact O-N 3.1Å; D342-D344 WeakPolarHBondContact OD1-CA 3.32Å; D342-D344 PolarHBondContact OD1-N 3.35Å; D342-L345 PolarHBondContact O-N 3.05Å; D342-L345 PolarHBondContact OD1-N 3.19Å; D342-L345 VanDerWaalsContact OD1-N 3.13Å; D342-N346 PolarHBondContact N-O 2.71Å; D342-N346 PolarHBondContact OD1-N 3.14Å; D342-N346 PolarHBondContact OD1-ND2 2.96Å; D342-N346 WeakPolarHBondContact OD2-CB 3.37Å; D342-N346 PolarHBondContact OD2-ND2 3.33Å; D342-W348 VanDerWaalsContact CG-NE1 3.33Å; D342-W348 PolarHBondContact OD2-NE1 2.88Å
343S84Confident86.9Confident106 Ų10637.1 Ų37.174%0.74123%0.227SC*.THydrogen-bonded Turntrans-61-26.4177.652.70000113.7L345S343-L345 VanDerWaalsContact C-N 3.28Å
344D80.2Confident87.7Confident121 Ų12135.8 Ų35.865%0.64720%0.198SC*.THydrogen-bonded Turntrans-95.110.9-175.5-53.3-20.5000110.9D342 N346D342-D344 PolarHBondContact O-N 3.1Å; D342-D344 WeakPolarHBondContact OD1-CA 3.32Å; D342-D344 PolarHBondContact OD1-N 3.35Å; D344-N346 PolarHBondContact O-N 3.24Å
345L76.1Confident88.1Confident61 Ų6135 Ų3532%0.31919%0.191SC..  trans61.420.7-176.5-54.3176.1000114.2D138 M341 D342 S343D138-L345 HydrophobicContact CB-CD1 3.91Å; M341-L345 HydrophobicContact SD-CB 4.33Å; M341-L345 HydrophobicContact SD-CD2 4.15Å; D342-L345 PolarHBondContact O-N 3.05Å; D342-L345 PolarHBondContact OD1-N 3.19Å; D342-L345 VanDerWaalsContact OD1-N 3.13Å; S343-L345 VanDerWaalsContact C-N 3.28Å
346N77.9Confident88.1Confident44 Ų4439.6 Ų39.624%0.23521%0.208CC..  trans-72.1132.9171.2-62.1-68.5000109.9R105 M341 D342 D344 W348R105-N346 PolarHBondContact NH2-OD1 2.89Å; M341-N346 VanDerWaalsContact CA-O 3.3Å; M341-N346 WeakPolarHBondContact CA-O 3.1Å; D342-N346 PolarHBondContact N-O 2.71Å; D342-N346 PolarHBondContact OD1-N 3.14Å; D342-N346 PolarHBondContact OD1-ND2 2.96Å; D342-N346 WeakPolarHBondContact OD2-CB 3.37Å; D342-N346 PolarHBondContact OD2-ND2 3.33Å; D344-N346 PolarHBondContact O-N 3.24Å; N346-W348 HydrophobicContact CB-CZ2 4.13Å; N346-W348 PolarHBondContact O-NE1 3.24Å
347P80.3Confident87.7Confident26 Ų2645.8 Ų45.817%0.16924%0.241CC..EExtended strand (participates in β ladder)trans-78.3133.7177.531.3-34000111.4K401P347-K401 HydrophobicContact CB-CB 4.28Å; P347-K401 HydrophobicContact CB-CD 3.91Å
348W89.9Confident87.2Confident21 Ų2146.4 Ų46.48%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-129.3146.7178.9-60105.3000111.5Y323 A340 D342 N346 V350 H386 V398Y323-W348 HydrophobicContact CD1-CB 4.47Å; Y323-W348 AromaticContact CD1-CD1 3.75Å; Y323-W348 HydrophobicContact CD1-CG 4.26Å; Y323-W348 AromaticContact CE1-CD1 3.62Å; Y323-W348 HydrophobicContact CE1-CG 4.06Å; Y323-W348 AromaticContact CE1-NE1 3.98Å; A340-W348 PolarHBondContact N-O 3.13Å; A340-W348 PolarHBondContact O-N 2.86Å; D342-W348 VanDerWaalsContact CG-NE1 3.33Å; D342-W348 PolarHBondContact OD2-NE1 2.88Å; N346-W348 HydrophobicContact CB-CZ2 4.13Å; N346-W348 PolarHBondContact O-NE1 3.24Å; W348-V350 HydrophobicContact CB-CG2 4.42Å; W348-H386 HydrophobicContact CE3-CB 3.92Å; W348-H386 HydrophobicContact CH2-CB 3.89Å; W348-H386 AromaticContact CH2-CD2 3.97Å; W348-H386 AromaticContact CH2-CE1 3.96Å; W348-H386 AromaticContact CH2-CG 3.49Å; W348-H386 VanDerWaalsContact CH2-CG 3.49Å; W348-H386 AromaticContact CH2-ND1 3.5Å; W348-H386 AromaticContact CZ2-CD2 3.97Å; W348-H386 AromaticContact CZ2-CG 3.97Å; W348-H386 HydrophobicContact CZ3-CB 3.46Å; W348-H386 VanDerWaalsContact CZ3-CB 3.46Å; W348-H386 AromaticContact CZ3-CG 3.61Å; W348-V398 HydrophobicContact CB-CG1 3.89Å; W348-V398 HydrophobicContact CD2-CG1 4.02Å; W348-V398 HydrophobicContact CE3-CG1 4.14Å; W348-V398 HydrophobicContact CG-CG1 3.92Å
349A93.4Very high86.7Confident9 Ų947.6 Ų47.67%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-95.5115.9165.900000108.3L329 V337 Y338 M399 K401L329-A349 HydrophobicContact CD1-CB 4.31Å; V337-A349 HydrophobicContact CG1-CB 4.26Å; Y338-A349 CarbonylContact O-C 3.59Å; Y338-A349 WeakPolarHBondContact O-CA 3.42Å; A349-M399 HydrophobicContact CB-CE 4.41Å; A349-M399 PolarHBondContact N-O 3.05Å; A349-M399 PolarHBondContact O-N 2.82Å; A349-K401 HydrophobicContact CB-CB 4.34Å; A349-K401 HydrophobicContact CB-CG 4.33Å
350V96.1Very high86.3Confident0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-107.7103.2-177.7-1760000109.3I316 V337 Y338 A340 W348 I396 L397 V398I316-V350 HydrophobicContact CD1-CB 4.36Å; I316-V350 HydrophobicContact CD1-CG1 3.89Å; I316-V350 HydrophobicContact CG2-CG1 4.09Å; V337-V350 WeakPolarHBondContact CA-O 3.22Å; Y338-V350 PolarHBondContact N-O 3.06Å; Y338-V350 PolarHBondContact O-N 2.82Å; A340-V350 HydrophobicContact CB-CG2 3.74Å; W348-V350 HydrophobicContact CB-CG2 4.42Å; V350-I396 HydrophobicContact CG1-CG2 3.57Å; V350-L397 CarbonylContact C-O 3.57Å; V350-L397 VanDerWaalsContact CA-O 3.29Å; V350-L397 WeakPolarHBondContact CA-O 3.43Å; V350-V398 HydrophobicContact CG2-CG1 4.49Å; V350-V398 HydrophobicContact CG2-CG2 4.42Å
351K95.1Very high85.8Confident21 Ų2160.7 Ų60.79%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-89.1111.5177.3-179.4175.3175.3-170.20109V337 V353 E369 I396 L397 M399V337-K351 HydrophobicContact CG2-CB 4.08Å; V337-K351 HydrophobicContact CG2-CG 4.03Å; K351-V353 HydrophobicContact CG-CG2 4.2Å; K351-E369 IonicContact NZ-OE1 2.77Å; K351-E369 IonicContact NZ-OE2 3.76Å; K351-I396 CarbonylContact O-C 3.59Å; K351-I396 WeakPolarHBondContact O-CA 3.21Å; K351-L397 HydrophobicContact CB-CB 4.28Å; K351-L397 HydrophobicContact CD-CD1 4.27Å; K351-L397 PolarHBondContact N-O 3.28Å; K351-L397 PolarHBondContact O-N 2.96Å; K351-M399 HydrophobicContact CB-CE 4.14Å
352K94.5Very high85.5Confident84 Ų8462 Ų6237%0.36532%0.324SS..EExtended strand (participates in β ladder)trans-100.8125.5173.3-176.3176.4-179.3-178.10109.3S335 V336 Y338 N394 L395 I396S335-K352 CarbonylContact C-O 3.58Å; S335-K352 WeakPolarHBondContact CA-O 3.47Å; S335-K352 WeakPolarHBondContact CB-O 3.38Å; V336-K352 PolarHBondContact N-O 2.83Å; V336-K352 PolarHBondContact O-N 3.25Å; Y338-K352 HydrophobicContact CE2-CB 4.32Å; K352-N394 WeakPolarHBondContact CE-OD1 3.23Å; K352-L395 CarbonylContact C-O 3.42Å; K352-L395 WeakPolarHBondContact CA-O 3.48Å; K352-I396 HydrophobicContact CG-CG1 4.28Å
353V91.7Very high85.4Confident0 Ų062.1 Ų62.10%033%0.326CS..EExtended strand (participates in β ladder)trans-116.1130.3-179.5-173.10000108.7S334 K351 L355 L358 Y366 N394 L395S334-V353 WeakPolarHBondContact O-CA 3.34Å; K351-V353 HydrophobicContact CG-CG2 4.2Å; V353-L355 HydrophobicContact CG1-CD2 4.02Å; V353-L358 HydrophobicContact CG1-CD1 4.24Å; V353-Y366 HydrophobicContact CG1-CD2 4.28Å; V353-Y366 HydrophobicContact CG1-CE1 4.27Å; V353-Y366 HydrophobicContact CG1-CE2 3.6Å; V353-Y366 HydrophobicContact CG2-CE1 4.15Å; V353-N394 VanDerWaalsContact O-CA 3.31Å; V353-N394 WeakPolarHBondContact O-CA 3.31Å; V353-L395 HydrophobicContact CB-CB 4.14Å; V353-L395 HydrophobicContact CG2-CD2 4.42Å; V353-L395 PolarHBondContact N-O 3.23Å; V353-L395 PolarHBondContact O-N 2.88Å
354D90.1Very high85.3Confident68 Ų6859.8 Ų59.836%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-84.7120170.3-175-4.2000109.4S334 K356 L358S334-D354 PolarHBondContact O-N 2.79Å; D354-K356 WeakPolarHBondContact OD1-CB 2.91Å; D354-K356 WeakPolarHBondContact OD1-CG 3.35Å; D354-K356 PolarHBondContact OD1-N 3.49Å; D354-L358 VanDerWaalsContact O-CD1 3.28Å; D354-L358 WeakPolarHBondContact O-CD1 3.46Å; D354-L358 WeakPolarHBondContact O-CG 3.18Å
355L89Confident85.3Confident18 Ų1855.2 Ų55.29%0.09429%0.285CS..  trans-95.3-11.6-178.6-57.2179.7000113.1V353 N357 L358 Y366 E393 L395V353-L355 HydrophobicContact CG1-CD2 4.02Å; L355-N357 VanDerWaalsContact C-N 3.27Å; L355-N357 PolarHBondContact O-N 2.65Å; L355-N357 VanDerWaalsContact O-N 3.16Å; L355-L358 HydrophobicContact CD2-CD1 3.87Å; L355-L358 PolarHBondContact O-N 3.11Å; L355-Y366 HydrophobicContact CD2-CD2 4.39Å; L355-E393 PolarHBondContact N-O 3.42Å; L355-L395 HydrophobicContact CD1-CB 4.12Å; L355-L395 HydrophobicContact CD2-CB 4.21Å; L355-L395 HydrophobicContact CG-CB 4.33Å
356K86.5Confident85.8Confident118 Ų11853.6 Ų53.651%0.51328%0.275SS..THydrogen-bonded Turntrans-57.3-37.3-168.7-69.6-177.6-177.7-160.20114.2D354 E393D354-K356 WeakPolarHBondContact OD1-CB 2.91Å; D354-K356 WeakPolarHBondContact OD1-CG 3.35Å; D354-K356 PolarHBondContact OD1-N 3.49Å; K356-E393 WeakPolarHBondContact CE-OE1 3.42Å; K356-E393 WeakPolarHBondContact CE-OE2 3.37Å; K356-E393 HydrophobicContact CG-CB 4.19Å; K356-E393 HydrophobicContact CG-CG 4.37Å; K356-E393 IonicContact NZ-OE1 2.81Å; K356-E393 PolarHBondContact NZ-OE1 2.94Å; K356-E393 IonicContact NZ-OE2 2.91Å; K356-E393 PolarHBondContact NZ-OE2 3.34Å
357N83.1Confident86.2Confident147 Ų14755.5 Ų55.579%0.78628%0.284SS*.THydrogen-bonded Turntrans-114.120.8-173-60.7-41.6000112.6L355L355-N357 VanDerWaalsContact C-N 3.27Å; L355-N357 PolarHBondContact O-N 2.65Å; L355-N357 VanDerWaalsContact O-N 3.16Å
358L83Confident86.4Confident49 Ų4959 Ų5926%0.25730%0.301SS..  trans-96.6147.8-178.7-61.5-172.4000111.9V353 D354 L355 T362 V363 Y366V353-L358 HydrophobicContact CG1-CD1 4.24Å; D354-L358 VanDerWaalsContact O-CD1 3.28Å; D354-L358 WeakPolarHBondContact O-CD1 3.46Å; D354-L358 WeakPolarHBondContact O-CG 3.18Å; L355-L358 HydrophobicContact CD2-CD1 3.87Å; L355-L358 PolarHBondContact O-N 3.11Å; L358-T362 HydrophobicContact CB-CG2 4.39Å; L358-T362 HydrophobicContact CD1-CG2 4Å; L358-T362 HydrophobicContact CD2-CG2 4.32Å; L358-T362 HydrophobicContact CG-CG2 4.5Å; L358-V363 HydrophobicContact CB-CG2 4.19Å; L358-Y366 HydrophobicContact CD1-CD2 4.33Å; L358-Y366 HydrophobicContact CD1-CE2 3.73Å
359T81.5Confident86.3Confident71 Ų7158.3 Ų58.344%0.43630%0.299SS..  trans-70.6155.8172.472.60000111.1E361 T362 V363T359-E361 WeakPolarHBondContact CB-OE2 3.14Å; T359-E361 PolarHBondContact O-N 3.45Å; T359-E361 PolarHBondContact OG1-OE2 2.91Å; T359-T362 WeakPolarHBondContact O-CB 3.31Å; T359-T362 PolarHBondContact O-N 3.35Å; T359-T362 PolarHBondContact OG1-N 2.73Å; T359-T362 PolarHBondContact OG1-OG1 2.84Å; T359-T362 VanDerWaalsContact OG1-OG1 3.07Å; T359-V363 PolarHBondContact O-N 3.3Å
360Q81.1Confident86.1Confident139 Ų13958.2 Ų58.265%0.6530%0.297SS*.Hα-helixtrans-60-31.9177.3-170.261.428.700112.4T362 V363 T364Q360-T362 VanDerWaalsContact C-N 3.33Å; Q360-V363 PolarHBondContact O-N 2.83Å; Q360-T364 WeakPolarHBondContact O-CB 3.44Å; Q360-T364 PolarHBondContact O-N 2.79Å; Q360-T364 PolarHBondContact O-OG1 3.25Å
361E77.5Confident85.9Confident144 Ų14462.5 Ų62.567%0.67332%0.317SS*.Hα-helixtrans-66.6-38174.6-49.698.5-178.100111.3T359 T364 S365T359-E361 WeakPolarHBondContact CB-OE2 3.14Å; T359-E361 PolarHBondContact O-N 3.45Å; T359-E361 PolarHBondContact OG1-OE2 2.91Å; E361-T364 PolarHBondContact O-N 3.33Å; E361-S365 PolarHBondContact O-N 3.19Å
362T79.3Confident85.6Confident28 Ų2862.7 Ų62.717%0.17232%0.319CS..Hα-helixtrans-68.4-42.1178.4-56.90000111.3L358 T359 Q360 T364 S365 Y366L358-T362 HydrophobicContact CB-CG2 4.39Å; L358-T362 HydrophobicContact CD1-CG2 4Å; L358-T362 HydrophobicContact CD2-CG2 4.32Å; L358-T362 HydrophobicContact CG-CG2 4.5Å; T359-T362 WeakPolarHBondContact O-CB 3.31Å; T359-T362 PolarHBondContact O-N 3.35Å; T359-T362 PolarHBondContact OG1-N 2.73Å; T359-T362 PolarHBondContact OG1-OG1 2.84Å; T359-T362 VanDerWaalsContact OG1-OG1 3.07Å; Q360-T362 VanDerWaalsContact C-N 3.33Å; T362-T364 VanDerWaalsContact C-N 3.35Å; T362-T364 PolarHBondContact O-N 3.1Å; T362-S365 WeakPolarHBondContact CA-OG 3.27Å; T362-S365 PolarHBondContact O-N 3.49Å; T362-S365 PolarHBondContact O-OG 3.3Å; T362-Y366 HydrophobicContact CG2-CD2 4.31Å; T362-Y366 HydrophobicContact CG2-CE2 3.87Å; T362-Y366 WeakPolarHBondContact O-CD2 3.48Å; T362-Y366 PolarHBondContact O-N 2.79Å
363V83Confident85.6Confident29 Ų2958.9 Ų58.918%0.17630%0.302CS..Hα-helixtrans-60.2-46.3173.9177.50000110.8L358 T359 Q360 S365 Y366 I367L358-V363 HydrophobicContact CB-CG2 4.19Å; T359-V363 PolarHBondContact O-N 3.3Å; Q360-V363 PolarHBondContact O-N 2.83Å; V363-S365 VanDerWaalsContact C-N 3.27Å; V363-S365 PolarHBondContact O-N 2.9Å; V363-Y366 PolarHBondContact O-N 2.76Å; V363-Y366 VanDerWaalsContact O-N 3.15Å; V363-I367 HydrophobicContact CG1-CD1 4.22Å; V363-I367 PolarHBondContact O-N 3.22Å; V363-I367 VanDerWaalsContact O-N 3.13Å
364T82.7Confident85.6Confident58 Ų5862.7 Ų62.736%0.35632%0.319SS..Hα-helixtrans-58.3-38.9175.4-54.80000111.7Q360 E361 T362 Y366 I367 N368Q360-T364 WeakPolarHBondContact O-CB 3.44Å; Q360-T364 PolarHBondContact O-N 2.79Å; Q360-T364 PolarHBondContact O-OG1 3.25Å; E361-T364 PolarHBondContact O-N 3.33Å; T362-T364 VanDerWaalsContact C-N 3.35Å; T362-T364 PolarHBondContact O-N 3.1Å; T364-Y366 VanDerWaalsContact C-N 3.35Å; T364-Y366 PolarHBondContact O-N 3.21Å; T364-I367 PolarHBondContact O-N 2.94Å; T364-N368 VanDerWaalsContact O-CG 3.26Å; T364-N368 PolarHBondContact O-N 3.29Å; T364-N368 PolarHBondContact O-ND2 3.26Å
365S80.7Confident85.6Confident25 Ų2563.1 Ų63.118%0.17533%0.327CS..Hα-helixtrans-63.5-36.8177.171.30000113.4E361 T362 V363 N368 E369 K492E361-S365 PolarHBondContact O-N 3.19Å; T362-S365 WeakPolarHBondContact CA-OG 3.27Å; T362-S365 PolarHBondContact O-N 3.49Å; T362-S365 PolarHBondContact O-OG 3.3Å; V363-S365 VanDerWaalsContact C-N 3.27Å; V363-S365 PolarHBondContact O-N 2.9Å; S365-N368 PolarHBondContact O-N 3.43Å; S365-E369 PolarHBondContact O-N 2.87Å; S365-K492 PolarHBondContact OG-NZ 3.01Å
366Y85.6Confident85.8Confident27 Ų2762.4 Ų62.411%0.10632%0.323CS..Hα-helixtrans-69.2-38.7174.1-75.5-61.2000112.7S334 V353 L355 L358 T362 V363 T364 N368 E369 I370 L395S334-Y366 PolarHBondContact OG-OH 3.01Å; S334-Y366 VanDerWaalsContact OG-OH 3.12Å; V353-Y366 HydrophobicContact CG1-CD2 4.28Å; V353-Y366 HydrophobicContact CG1-CE1 4.27Å; V353-Y366 HydrophobicContact CG1-CE2 3.6Å; V353-Y366 HydrophobicContact CG2-CE1 4.15Å; L355-Y366 HydrophobicContact CD2-CD2 4.39Å; L358-Y366 HydrophobicContact CD1-CD2 4.33Å; L358-Y366 HydrophobicContact CD1-CE2 3.73Å; T362-Y366 HydrophobicContact CG2-CD2 4.31Å; T362-Y366 HydrophobicContact CG2-CE2 3.87Å; T362-Y366 WeakPolarHBondContact O-CD2 3.48Å; T362-Y366 PolarHBondContact O-N 2.79Å; V363-Y366 PolarHBondContact O-N 2.76Å; V363-Y366 VanDerWaalsContact O-N 3.15Å; T364-Y366 VanDerWaalsContact C-N 3.35Å; T364-Y366 PolarHBondContact O-N 3.21Å; Y366-N368 VanDerWaalsContact C-N 3.32Å; Y366-E369 WeakPolarHBondContact O-CB 3.2Å; Y366-E369 PolarHBondContact O-N 3.4Å; Y366-I370 WeakPolarHBondContact O-CG1 3.36Å; Y366-I370 PolarHBondContact O-N 3.49Å; Y366-L395 HydrophobicContact CD1-CD2 4.22Å; Y366-L395 HydrophobicContact CG-CD2 4.03Å
367I85.9Confident85.9Confident84 Ų8460.9 Ų60.943%0.43132%0.32SS..Hα-helixtrans-62.3-44.5175.8-65.4169.7000109.9V363 T364 E369 I370 E371V363-I367 HydrophobicContact CG1-CD1 4.22Å; V363-I367 PolarHBondContact O-N 3.22Å; V363-I367 VanDerWaalsContact O-N 3.13Å; T364-I367 PolarHBondContact O-N 2.94Å; I367-E369 VanDerWaalsContact C-N 3.34Å; I367-E369 PolarHBondContact O-N 3.43Å; I367-I370 PolarHBondContact O-N 3.47Å; I367-E371 PolarHBondContact O-N 2.9Å
368N84.6Confident86.2Confident99 Ų9961.1 Ų61.153%0.52932%0.321SS..Hα-helixtrans-62.3-40.3176.2-68.2-15.1000112.1T364 S365 Y366 I370 E371 M372T364-N368 VanDerWaalsContact O-CG 3.26Å; T364-N368 PolarHBondContact O-N 3.29Å; T364-N368 PolarHBondContact O-ND2 3.26Å; S365-N368 PolarHBondContact O-N 3.43Å; Y366-N368 VanDerWaalsContact C-N 3.32Å; N368-I370 VanDerWaalsContact C-N 3.33Å; N368-I370 PolarHBondContact O-N 3.24Å; N368-E371 PolarHBondContact O-N 3Å; N368-M372 WeakPolarHBondContact O-CB 3.43Å; N368-M372 PolarHBondContact O-N 3.33Å
369E87.4Confident86.6Confident6 Ų659.4 Ų59.43%0.02831%0.314CS..Hα-helixtrans-57.9-45.4174.2-172.4-174.1178.400111.1K351 S365 Y366 I367 M372 L373 L474K351-E369 IonicContact NZ-OE1 2.77Å; K351-E369 IonicContact NZ-OE2 3.76Å; S365-E369 PolarHBondContact O-N 2.87Å; Y366-E369 WeakPolarHBondContact O-CB 3.2Å; Y366-E369 PolarHBondContact O-N 3.4Å; I367-E369 VanDerWaalsContact C-N 3.34Å; I367-E369 PolarHBondContact O-N 3.43Å; E369-M372 PolarHBondContact O-N 2.9Å; E369-L373 HydrophobicContact CG-CD1 4.21Å; E369-L373 WeakPolarHBondContact O-CB 3.4Å; E369-L373 WeakPolarHBondContact O-CG 3.42Å; E369-L373 PolarHBondContact O-N 3.47Å; E369-L474 HydrophobicContact CG-CB 4.21Å
370I90.7Very high87.1Confident8 Ų859.8 Ų59.84%0.04131%0.313CS..Hα-helixtrans-63.2-49.4178.9-67.1164.7000111.4Y366 I367 N368 M372 L373 K374 L385 Y388 L395 L397Y366-I370 WeakPolarHBondContact O-CG1 3.36Å; Y366-I370 PolarHBondContact O-N 3.49Å; I367-I370 PolarHBondContact O-N 3.47Å; N368-I370 VanDerWaalsContact C-N 3.33Å; N368-I370 PolarHBondContact O-N 3.24Å; I370-M372 PolarHBondContact O-N 2.87Å; I370-L373 PolarHBondContact O-N 3.22Å; I370-K374 HydrophobicContact CG2-CD 3.85Å; I370-K374 HydrophobicContact CG2-CG 4.46Å; I370-K374 WeakPolarHBondContact O-CB 3.26Å; I370-K374 VanDerWaalsContact O-CG 3.32Å; I370-K374 WeakPolarHBondContact O-CG 3.4Å; I370-K374 PolarHBondContact O-N 2.96Å; I370-L385 HydrophobicContact CG2-CD2 4.09Å; I370-Y388 HydrophobicContact CD1-CD2 4.22Å; I370-Y388 HydrophobicContact CG2-CD1 4.28Å; I370-Y388 HydrophobicContact CG2-CD2 4.23Å; I370-Y388 HydrophobicContact CG2-CE1 4.22Å; I370-Y388 HydrophobicContact CG2-CE2 4.16Å; I370-Y388 HydrophobicContact CG2-CG 4.29Å; I370-L395 HydrophobicContact CD1-CD1 3.62Å; I370-L395 HydrophobicContact CD1-CD2 3.94Å; I370-L395 HydrophobicContact CD1-CG 4.41Å; I370-L397 HydrophobicContact CD1-CD2 3.86Å; I370-L397 HydrophobicContact CG1-CD2 3.71Å
371E90.6Very high87.7Confident90 Ų9054.9 Ų54.942%0.42129%0.288SS..Hα-helixtrans-63.1-34.4-179.9-68.2-51.9131.900111.8I367 N368 K374 S375I367-E371 PolarHBondContact O-N 2.9Å; N368-E371 PolarHBondContact O-N 3Å; E371-K374 VanDerWaalsContact CD-NZ 3.28Å; E371-K374 PolarHBondContact O-N 3.29Å; E371-K374 IonicContact OE1-NZ 3.22Å; E371-K374 PolarHBondContact OE1-NZ 3.24Å; E371-K374 IonicContact OE2-NZ 2.79Å; E371-K374 PolarHBondContact OE2-NZ 2.84Å; E371-S375 PolarHBondContact O-N 3.26Å
372M90.3Very high88.5Confident24 Ų2448.1 Ų48.112%0.11826%0.257CS..Hα-helixtrans-70.6-43.3174.5-168.815564.200112.7N368 E369 I370 K374 S375 L376 I452 L474N368-M372 WeakPolarHBondContact O-CB 3.43Å; N368-M372 PolarHBondContact O-N 3.33Å; E369-M372 PolarHBondContact O-N 2.9Å; I370-M372 PolarHBondContact O-N 2.87Å; M372-K374 VanDerWaalsContact C-N 3.26Å; M372-K374 PolarHBondContact O-N 3.38Å; M372-S375 PolarHBondContact O-N 3.47Å; M372-S375 PolarHBondContact O-OG 2.9Å; M372-L376 HydrophobicContact CG-CD1 3.93Å; M372-L376 WeakPolarHBondContact O-CD1 3.23Å; M372-L376 VanDerWaalsContact O-CG 3.28Å; M372-L376 WeakPolarHBondContact O-CG 3.31Å; M372-L376 PolarHBondContact O-N 2.82Å; M372-L376 VanDerWaalsContact O-N 3.15Å; M372-I452 HydrophobicContact CE-CG2 4.4Å; M372-I452 HydrophobicContact CG-CD1 3.8Å; M372-I452 HydrophobicContact SD-CB 4.47Å; M372-I452 HydrophobicContact SD-CD1 3.75Å; M372-I452 HydrophobicContact SD-CG1 3.93Å; M372-I452 HydrophobicContact SD-CG2 3.67Å; M372-L474 HydrophobicContact CE-CB 3.49Å; M372-L474 VanDerWaalsContact CE-CB 3.49Å; M372-L474 HydrophobicContact CE-CD1 3.8Å; M372-L474 HydrophobicContact CE-CD2 4.37Å; M372-L474 HydrophobicContact CE-CG 4.08Å; M372-L474 HydrophobicContact CG-CD1 4.01Å
373L92.6Very high89.2Confident4 Ų447.1 Ų47.12%0.02125%0.25CS..Hα-helixtrans-60.6-38.2173.7-73.8170.9000111.5E369 I370 L376 I377 I382 I383 L385 L474E369-L373 HydrophobicContact CG-CD1 4.21Å; E369-L373 WeakPolarHBondContact O-CB 3.4Å; E369-L373 WeakPolarHBondContact O-CG 3.42Å; E369-L373 PolarHBondContact O-N 3.47Å; I370-L373 PolarHBondContact O-N 3.22Å; L373-L376 CarbonylContact O-C 3.54Å; L373-L376 PolarHBondContact O-N 3.15Å; L373-I377 PolarHBondContact O-N 2.94Å; L373-I382 HydrophobicContact CD2-CG2 4.07Å; L373-I383 HydrophobicContact CD2-CG2 4.2Å; L373-L385 HydrophobicContact CB-CB 4.08Å; L373-L385 HydrophobicContact CB-CD2 4.22Å; L373-L474 HydrophobicContact CD2-CD1 3.75Å; L373-L474 HydrophobicContact CD2-CG 4.4Å; L373-L474 HydrophobicContact CG-CD1 4.2Å
374K92.4Very high89.7Confident80 Ų8050.6 Ų50.635%0.34826%0.26SS..Hα-helixtrans-63-42.7174.6-74.6166.863.1-1640112.1I370 E371 M372 L376 I377 L385 Y388I370-K374 HydrophobicContact CG2-CD 3.85Å; I370-K374 HydrophobicContact CG2-CG 4.46Å; I370-K374 WeakPolarHBondContact O-CB 3.26Å; I370-K374 VanDerWaalsContact O-CG 3.32Å; I370-K374 WeakPolarHBondContact O-CG 3.4Å; I370-K374 PolarHBondContact O-N 2.96Å; E371-K374 VanDerWaalsContact CD-NZ 3.28Å; E371-K374 PolarHBondContact O-N 3.29Å; E371-K374 IonicContact OE1-NZ 3.22Å; E371-K374 PolarHBondContact OE1-NZ 3.24Å; E371-K374 IonicContact OE2-NZ 2.79Å; E371-K374 PolarHBondContact OE2-NZ 2.84Å; M372-K374 VanDerWaalsContact C-N 3.26Å; M372-K374 PolarHBondContact O-N 3.38Å; K374-L376 PolarHBondContact O-N 3.18Å; K374-I377 WeakPolarHBondContact O-CB 2.91Å; K374-I377 WeakPolarHBondContact O-CG2 3.22Å; K374-I377 PolarHBondContact O-N 3.46Å; K374-L385 HydrophobicContact CG-CD2 4.24Å; K374-Y388 HydrophobicContact CD-CE1 4.22Å
375S90.7Very high90.2Very high77 Ų7748.5 Ų48.554%0.53825%0.247SC..Hα-helixtrans-68.9-16.5177.6780000113.3E371 M372E371-S375 PolarHBondContact O-N 3.26Å; M372-S375 PolarHBondContact O-N 3.47Å; M372-S375 PolarHBondContact O-OG 2.9Å
376L92.6Very high90.9Very high3 Ų349.8 Ų49.82%0.01625%0.25CC..THydrogen-bonded Turntrans-101.58.4179.7-66.5167.7000114M372 L373 K374 N378 S379 I382 L447 I452 L474M372-L376 HydrophobicContact CG-CD1 3.93Å; M372-L376 WeakPolarHBondContact O-CD1 3.23Å; M372-L376 VanDerWaalsContact O-CG 3.28Å; M372-L376 WeakPolarHBondContact O-CG 3.31Å; M372-L376 PolarHBondContact O-N 2.82Å; M372-L376 VanDerWaalsContact O-N 3.15Å; L373-L376 CarbonylContact O-C 3.54Å; L373-L376 PolarHBondContact O-N 3.15Å; K374-L376 PolarHBondContact O-N 3.18Å; L376-N378 PolarHBondContact O-N 2.85Å; L376-S379 VanDerWaalsContact O-CB 3.27Å; L376-S379 WeakPolarHBondContact O-CB 3.38Å; L376-S379 PolarHBondContact O-N 2.85Å; L376-I382 HydrophobicContact CB-CB 4.34Å; L376-I382 HydrophobicContact CB-CG1 4.34Å; L376-I382 HydrophobicContact CB-CG2 4.23Å; L376-I382 HydrophobicContact CD1-CG1 4.22Å; L376-I382 HydrophobicContact CD1-CG2 4.13Å; L376-I382 HydrophobicContact CD2-CG1 4.41Å; L376-L447 HydrophobicContact CD1-CD2 3.74Å; L376-L447 HydrophobicContact CD2-CD2 4.35Å; L376-I452 HydrophobicContact CD1-CD1 4.03Å; L376-I452 HydrophobicContact CD2-CD1 4.13Å; L376-I452 HydrophobicContact CG-CD1 4.3Å; L376-L474 HydrophobicContact CD1-CD1 3.65Å
377I89.8Confident91.3Very high87 Ų8749.9 Ų49.945%0.44625%0.252SS..THydrogen-bonded Turntrans-56.4-28.8-173.9-166.3165.6000114.7L373 K374 S379L373-I377 PolarHBondContact O-N 2.94Å; K374-I377 WeakPolarHBondContact O-CB 2.91Å; K374-I377 WeakPolarHBondContact O-CG2 3.22Å; K374-I377 PolarHBondContact O-N 3.46Å; I377-S379 VanDerWaalsContact C-N 3.34Å
378N88.1Confident91.7Very high151 Ų15149.9 Ų49.981%0.80725%0.247SC*.THydrogen-bonded Turntrans-90.76.2180-64.9-30.9000113.4L376L376-N378 PolarHBondContact O-N 2.85Å
379S91.9Very high92.2Very high14 Ų1448.3 Ų48.310%0.09824%0.237CC..  trans-88.3125.1175.6-172.90000110.3L376 I377 R381L376-S379 VanDerWaalsContact O-CB 3.27Å; L376-S379 WeakPolarHBondContact O-CB 3.38Å; L376-S379 PolarHBondContact O-N 2.85Å; I377-S379 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 2.84Å; S379-R381 PolarHBondContact OG-N 3.33Å
380D91.4Very high92.4Very high79 Ų7951.3 Ų51.342%0.42226%0.258SS..THydrogen-bonded Turntrans-72.4-9.9170.467.4-37.2000112.5K470D380-K470 VanDerWaalsContact O-CE 3.25Å; D380-K470 WeakPolarHBondContact O-CE 3.47Å
381R94Very high92.3Very high36 Ų3653.7 Ų53.714%0.13627%0.273CS..THydrogen-bonded Turntrans-105.3-1.2-176.3-53.6-59.3163169.6-3.7115.6S379 R442 C443 A446 K470 L471S379-R381 PolarHBondContact O-N 2.84Å; S379-R381 PolarHBondContact OG-N 3.33Å; R381-R442 HydrophobicContact CG-CB 4.4Å; R381-C443 HydrophobicContact CB-CB 4.2Å; R381-A446 HydrophobicContact CB-CB 4.09Å; R381-A446 HydrophobicContact CG-CB 4.4Å; R381-K470 CarbonylContact O-C 3.57Å; R381-K470 VanDerWaalsContact O-CA 3.3Å; R381-K470 WeakPolarHBondContact O-CA 3.37Å; R381-L471 PolarHBondContact O-N 2.99Å
382I94.8Very high92.1Very high2 Ų254.9 Ų54.91%0.0129%0.291CS..BIsolated β-bridgetrans-118.5143.3176.8-51.7-60000107.8L373 L376 R384 L447 L471 L474L373-I382 HydrophobicContact CD2-CG2 4.07Å; L376-I382 HydrophobicContact CB-CB 4.34Å; L376-I382 HydrophobicContact CB-CG1 4.34Å; L376-I382 HydrophobicContact CB-CG2 4.23Å; L376-I382 HydrophobicContact CD1-CG1 4.22Å; L376-I382 HydrophobicContact CD1-CG2 4.13Å; L376-I382 HydrophobicContact CD2-CG1 4.41Å; I382-R384 PolarHBondContact O-N 2.84Å; I382-L447 HydrophobicContact CD1-CD1 4.41Å; I382-L447 HydrophobicContact CD1-CD2 3.54Å; I382-L447 HydrophobicContact CD1-CG 3.83Å; I382-L447 HydrophobicContact CG1-CD2 4.23Å; I382-L471 HydrophobicContact CD1-CB 3.89Å; I382-L471 HydrophobicContact CD1-CD1 4.21Å; I382-L474 HydrophobicContact CG2-CD1 4.39Å
383I94.3Very high91.9Very high6 Ų657.9 Ų57.93%0.03131%0.305CS..  trans-59.9131.6178-159.566.9000110.4L373 L385 M399 E400 V465 K470 L471 I472L373-I383 HydrophobicContact CD2-CG2 4.2Å; I383-L385 PolarHBondContact O-N 2.86Å; I383-M399 HydrophobicContact CG1-CB 4.42Å; I383-E400 HydrophobicContact CD1-CB 3.78Å; I383-E400 HydrophobicContact CD1-CG 4Å; I383-E400 WeakPolarHBondContact CD1-O 3.09Å; I383-E400 HydrophobicContact CG1-CB 4.17Å; I383-V465 HydrophobicContact CD1-CG2 3.97Å; I383-K470 HydrophobicContact CD1-CD 4.48Å; I383-L471 PolarHBondContact N-O 3.23Å; I383-I472 HydrophobicContact CB-CG2 3.76Å; I383-I472 HydrophobicContact CD1-CG2 4.3Å; I383-I472 HydrophobicContact CG1-CG2 3.99Å; I383-I472 HydrophobicContact CG2-CB 4.36Å; I383-I472 HydrophobicContact CG2-CG2 3.93Å
384R92.4Very high91.9Very high103 Ų10359.4 Ų59.439%0.38931%0.313SS..  trans-78122.5-178.6179.4173.8160.8-112.50.9110.5I382 H386 M399 E400I382-R384 PolarHBondContact O-N 2.84Å; R384-H386 PolarHBondContact NH2-ND1 3.1Å; R384-H386 PolarHBondContact O-N 2.8Å; R384-M399 WeakPolarHBondContact O-CA 3.34Å; R384-E400 HydrophobicContact CB-CB 4.21Å; R384-E400 PolarHBondContact N-OE2 2.9Å; R384-E400 PolarHBondContact O-N 3.14Å
385L94.8Very high91.9Very high13 Ų1355.8 Ų55.87%0.06830%0.297CS..EExtended strand (participates in β ladder)trans-73.5115162.5-176.865.8000108.6I370 L373 K374 I383 D387 Y388 L397 M399I370-L385 HydrophobicContact CG2-CD2 4.09Å; L373-L385 HydrophobicContact CB-CB 4.08Å; L373-L385 HydrophobicContact CB-CD2 4.22Å; K374-L385 HydrophobicContact CG-CD2 4.24Å; I383-L385 PolarHBondContact O-N 2.86Å; L385-D387 WeakPolarHBondContact CD1-O 3.48Å; L385-Y388 HydrophobicContact CD2-CD1 4.21Å; L385-L397 HydrophobicContact CD1-CB 4Å; L385-L397 HydrophobicContact CD1-CD2 4.19Å; L385-M399 HydrophobicContact CD1-CG 4Å
386H93.4Very high92.1Very high53 Ų5353 Ų5325%0.24528%0.276CS..EExtended strand (participates in β ladder)trans-84.8-46.6179.3178.661.7000112.1W348 R384 V398W348-H386 HydrophobicContact CE3-CB 3.92Å; W348-H386 HydrophobicContact CH2-CB 3.89Å; W348-H386 AromaticContact CH2-CD2 3.97Å; W348-H386 AromaticContact CH2-CE1 3.96Å; W348-H386 AromaticContact CH2-CG 3.49Å; W348-H386 VanDerWaalsContact CH2-CG 3.49Å; W348-H386 AromaticContact CH2-ND1 3.5Å; W348-H386 AromaticContact CZ2-CD2 3.97Å; W348-H386 AromaticContact CZ2-CG 3.97Å; W348-H386 HydrophobicContact CZ3-CB 3.46Å; W348-H386 VanDerWaalsContact CZ3-CB 3.46Å; W348-H386 AromaticContact CZ3-CG 3.61Å; R384-H386 PolarHBondContact NH2-ND1 3.1Å; R384-H386 PolarHBondContact O-N 2.8Å; H386-V398 WeakPolarHBondContact CA-O 3.42Å; H386-V398 HydrophobicContact CB-CB 4.47Å; H386-V398 HydrophobicContact CB-CG1 4.18Å; H386-V398 WeakPolarHBondContact CB-O 3.29Å; H386-V398 PolarHBondContact N-O 3.01Å
387D94.6Very high92.3Very high29 Ų2952.8 Ų52.816%0.15528%0.275CS..EExtended strand (participates in β ladder)trans-155.8161.6-177.4-160.70.9000109.6N319 L385 V398N319-D387 PolarHBondContact ND2-OD1 2.81Å; N319-D387 PolarHBondContact ND2-OD2 2.81Å; L385-D387 WeakPolarHBondContact CD1-O 3.48Å; D387-V398 HydrophobicContact CB-CB 4.03Å; D387-V398 HydrophobicContact CB-CG2 4.2Å; D387-V398 PolarHBondContact N-O 3.13Å; D387-V398 VanDerWaalsContact N-O 3.14Å; D387-V398 PolarHBondContact O-N 2.87Å
388Y95.1Very high92.6Very high83 Ų8348.7 Ų48.733%0.32525%0.254SS..EExtended strand (participates in β ladder)trans-151.4151.9171.570.4-77.7000111.4N319 I370 K374 L385 I396N319-Y388 PolarHBondContact ND2-O 3.09Å; I370-Y388 HydrophobicContact CD1-CD2 4.22Å; I370-Y388 HydrophobicContact CG2-CD1 4.28Å; I370-Y388 HydrophobicContact CG2-CD2 4.23Å; I370-Y388 HydrophobicContact CG2-CE1 4.22Å; I370-Y388 HydrophobicContact CG2-CE2 4.16Å; I370-Y388 HydrophobicContact CG2-CG 4.29Å; K374-Y388 HydrophobicContact CD-CE1 4.22Å; L385-Y388 HydrophobicContact CD2-CD1 4.21Å; Y388-I396 CarbonylContact C-O 3.31Å; Y388-I396 WeakPolarHBondContact CA-O 3.33Å; Y388-I396 WeakPolarHBondContact CB-O 3.46Å
389H94.4Very high92.9Very high66 Ų6642.4 Ų42.431%0.30622%0.22SC..EExtended strand (participates in β ladder)trans-136.7124.2174.1-172.373.6000109.4V318 N319 T391 I396V318-H389 HydrophobicContact CG1-CB 3.69Å; N319-H389 PolarHBondContact OD1-ND1 2.87Å; H389-T391 WeakPolarHBondContact NE2-CG2 3.2Å; H389-I396 PolarHBondContact N-O 2.84Å; H389-I396 PolarHBondContact O-N 3.47Å
390C91.1Very high92.8Very high70 Ų7043.3 Ų43.347%0.47322%0.223SC..EExtended strand (participates in β ladder)trans-116.9129.1179.8-169.20000109.4L395C390-L395 HydrophobicContact CB-CD1 4Å
391T89.6Confident92.5Very high57 Ų5740.3 Ų40.335%0.3521%0.206SC..  trans-122.1174.7172.862.10000108.7H389 E393 N394H389-T391 WeakPolarHBondContact NE2-CG2 3.2Å; T391-E393 PolarHBondContact O-N 3.35Å; T391-E393 PolarHBondContact OG1-N 2.82Å; T391-N394 PolarHBondContact N-O 3.41Å; T391-N394 PolarHBondContact OG1-N 2.88Å; T391-N394 PolarHBondContact OG1-O 3.39Å
392S85.3Confident91.9Very high115 Ų11539.4 Ų39.480%0.80421%0.207SC*.SBendtrans-61.5-22.2173.553.30000113.7
393E88Confident90.9Very high87 Ų8741.3 Ų41.341%0.40722%0.218SC..SBendtrans-111.8-27.5-173.8-60.5-165.8156.600114.1L355 K356 T391L355-E393 PolarHBondContact N-O 3.42Å; K356-E393 WeakPolarHBondContact CE-OE1 3.42Å; K356-E393 WeakPolarHBondContact CE-OE2 3.37Å; K356-E393 HydrophobicContact CG-CB 4.19Å; K356-E393 HydrophobicContact CG-CG 4.37Å; K356-E393 IonicContact NZ-OE1 2.81Å; K356-E393 PolarHBondContact NZ-OE1 2.94Å; K356-E393 IonicContact NZ-OE2 2.91Å; K356-E393 PolarHBondContact NZ-OE2 3.34Å; T391-E393 PolarHBondContact O-N 3.35Å; T391-E393 PolarHBondContact OG1-N 2.82Å
394N91.2Very high90.1Very high37 Ų3742.8 Ų42.820%0.19823%0.228CC..EExtended strand (participates in β ladder)trans-140.6141.3-171.9-64.1-94.5000111K352 V353 T391K352-N394 WeakPolarHBondContact CE-OD1 3.23Å; V353-N394 VanDerWaalsContact O-CA 3.31Å; V353-N394 WeakPolarHBondContact O-CA 3.31Å; T391-N394 PolarHBondContact N-O 3.41Å; T391-N394 PolarHBondContact OG1-N 2.88Å; T391-N394 PolarHBondContact OG1-O 3.39Å
395L92.7Very high89.8Confident4 Ų439.9 Ų39.92%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-112.2130.3163.8168.267.1000109.1K352 V353 L355 Y366 I370 C390 L397K352-L395 CarbonylContact C-O 3.42Å; K352-L395 WeakPolarHBondContact CA-O 3.48Å; V353-L395 HydrophobicContact CB-CB 4.14Å; V353-L395 HydrophobicContact CG2-CD2 4.42Å; V353-L395 PolarHBondContact N-O 3.23Å; V353-L395 PolarHBondContact O-N 2.88Å; L355-L395 HydrophobicContact CD1-CB 4.12Å; L355-L395 HydrophobicContact CD2-CB 4.21Å; L355-L395 HydrophobicContact CG-CB 4.33Å; Y366-L395 HydrophobicContact CD1-CD2 4.22Å; Y366-L395 HydrophobicContact CG-CD2 4.03Å; I370-L395 HydrophobicContact CD1-CD1 3.62Å; I370-L395 HydrophobicContact CD1-CD2 3.94Å; I370-L395 HydrophobicContact CD1-CG 4.41Å; C390-L395 HydrophobicContact CB-CD1 4Å; L395-L397 HydrophobicContact CD1-CD2 3.84Å; L395-L397 HydrophobicContact CD2-CD2 4.33Å; L395-L397 HydrophobicContact CG-CD2 4.12Å; L395-L397 HydrophobicContact CG-CG 4.39Å
396I95.5Very high89.5Confident17 Ų1739.2 Ų39.29%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-121.1125.7176.1-52.3177.7000108.4I316 V318 V350 K351 K352 Y388 H389I316-I396 HydrophobicContact CG2-CD1 4.13Å; I316-I396 HydrophobicContact CG2-CG2 4.31Å; V318-I396 HydrophobicContact CG2-CB 4.44Å; V318-I396 HydrophobicContact CG2-CG2 3.68Å; V350-I396 HydrophobicContact CG1-CG2 3.57Å; K351-I396 CarbonylContact O-C 3.59Å; K351-I396 WeakPolarHBondContact O-CA 3.21Å; K352-I396 HydrophobicContact CG-CG1 4.28Å; Y388-I396 CarbonylContact C-O 3.31Å; Y388-I396 WeakPolarHBondContact CA-O 3.33Å; Y388-I396 WeakPolarHBondContact CB-O 3.46Å; H389-I396 PolarHBondContact N-O 2.84Å; H389-I396 PolarHBondContact O-N 3.47Å
397L95.5Very high89.2Confident0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-112.6126.5173.2-51.6179.7000108.9V350 K351 I370 L385 L395 M399V350-L397 CarbonylContact C-O 3.57Å; V350-L397 VanDerWaalsContact CA-O 3.29Å; V350-L397 WeakPolarHBondContact CA-O 3.43Å; K351-L397 HydrophobicContact CB-CB 4.28Å; K351-L397 HydrophobicContact CD-CD1 4.27Å; K351-L397 PolarHBondContact N-O 3.28Å; K351-L397 PolarHBondContact O-N 2.96Å; I370-L397 HydrophobicContact CD1-CD2 3.86Å; I370-L397 HydrophobicContact CG1-CD2 3.71Å; L385-L397 HydrophobicContact CD1-CB 4Å; L385-L397 HydrophobicContact CD1-CD2 4.19Å; L395-L397 HydrophobicContact CD1-CD2 3.84Å; L395-L397 HydrophobicContact CD2-CD2 4.33Å; L395-L397 HydrophobicContact CG-CD2 4.12Å; L395-L397 HydrophobicContact CG-CG 4.39Å; L397-M399 HydrophobicContact CB-CG 4.22Å; L397-M399 HydrophobicContact CB-SD 4.41Å
398V96.5Very high88.5Confident0 Ų042 Ų420%023%0.234CC..EExtended strand (participates in β ladder)trans-100.7114.7169.6-174.50000107V318 Y323 W348 V350 H386 D387V318-V398 HydrophobicContact CB-CG2 4.08Å; V318-V398 HydrophobicContact CG1-CG2 3.99Å; V318-V398 HydrophobicContact CG2-CG2 3.74Å; Y323-V398 HydrophobicContact CD1-CG1 4.37Å; Y323-V398 HydrophobicContact CE1-CG1 3.66Å; Y323-V398 HydrophobicContact CE1-CG2 4.43Å; Y323-V398 HydrophobicContact CE2-CG2 4.05Å; W348-V398 HydrophobicContact CB-CG1 3.89Å; W348-V398 HydrophobicContact CD2-CG1 4.02Å; W348-V398 HydrophobicContact CE3-CG1 4.14Å; W348-V398 HydrophobicContact CG-CG1 3.92Å; V350-V398 HydrophobicContact CG2-CG1 4.49Å; V350-V398 HydrophobicContact CG2-CG2 4.42Å; H386-V398 WeakPolarHBondContact CA-O 3.42Å; H386-V398 HydrophobicContact CB-CB 4.47Å; H386-V398 HydrophobicContact CB-CG1 4.18Å; H386-V398 WeakPolarHBondContact CB-O 3.29Å; H386-V398 PolarHBondContact N-O 3.01Å; D387-V398 HydrophobicContact CB-CB 4.03Å; D387-V398 HydrophobicContact CB-CG2 4.2Å; D387-V398 PolarHBondContact N-O 3.13Å; D387-V398 VanDerWaalsContact N-O 3.14Å; D387-V398 PolarHBondContact O-N 2.87Å
399M95.7Very high87.7Confident20 Ų2038.5 Ų38.510%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-123.3154.6-176.1-56.2175.1-54.300109.7A349 K351 I383 R384 L385 L397 K401A349-M399 HydrophobicContact CB-CE 4.41Å; A349-M399 PolarHBondContact N-O 3.05Å; A349-M399 PolarHBondContact O-N 2.82Å; K351-M399 HydrophobicContact CB-CE 4.14Å; I383-M399 HydrophobicContact CG1-CB 4.42Å; R384-M399 WeakPolarHBondContact O-CA 3.34Å; L385-M399 HydrophobicContact CD1-CG 4Å; L397-M399 HydrophobicContact CB-CG 4.22Å; L397-M399 HydrophobicContact CB-SD 4.41Å; M399-K401 PolarHBondContact O-N 2.85Å
400E89.8Confident87.2Confident32 Ų3235.4 Ų35.415%0.1521%0.207CC..EExtended strand (participates in β ladder)trans-46.1133.4164.8178.6178.5-153.600110.1I383 R384 V465 K470I383-E400 HydrophobicContact CD1-CB 3.78Å; I383-E400 HydrophobicContact CD1-CG 4Å; I383-E400 WeakPolarHBondContact CD1-O 3.09Å; I383-E400 HydrophobicContact CG1-CB 4.17Å; R384-E400 HydrophobicContact CB-CB 4.21Å; R384-E400 PolarHBondContact N-OE2 2.9Å; R384-E400 PolarHBondContact O-N 3.14Å; E400-V465 HydrophobicContact CG-CG1 3.81Å; E400-V465 HydrophobicContact CG-CG2 4.44Å; E400-V465 WeakPolarHBondContact OE1-CG1 3.25Å; E400-K470 IonicContact OE1-NZ 3.89Å; E400-K470 PolarHBondContact OE1-NZ 3.1Å; E400-K470 WeakPolarHBondContact OE2-CD 3.4Å; E400-K470 IonicContact OE2-NZ 3.62Å; E400-K470 PolarHBondContact OE2-NZ 3.23Å
401K84Confident86.5Confident17 Ų1735.7 Ų35.77%0.07420%0.204CC..PPolyproline II helixtrans-90.4127.9178.5-167.5-143.9165.3178.70109.2L329 W339 P347 A349 M399L329-K401 HydrophobicContact CD1-CG 4.44Å; W339-K401 HydrophobicContact CD2-CD 4.34Å; W339-K401 HydrophobicContact CG-CD 4.05Å; P347-K401 HydrophobicContact CB-CB 4.28Å; P347-K401 HydrophobicContact CB-CD 3.91Å; A349-K401 HydrophobicContact CB-CB 4.34Å; A349-K401 HydrophobicContact CB-CG 4.33Å; M399-K401 PolarHBondContact O-N 2.85Å
402G81.1Confident85.7Confident16 Ų1636.1 Ų36.117%0.16521%0.209CC..PPolyproline II helixtrans-91.1165.8163.700000114.5V463 L464G402-V463 VanDerWaalsContact CA-CG1 3.44Å; G402-L464 CarbonylContact C-O 3.57Å; G402-L464 VanDerWaalsContact CA-O 3.23Å; G402-L464 WeakPolarHBondContact CA-O 3.37Å
403D73.5Confident85Confident43 Ų4331.8 Ų31.823%0.2318%0.175CC..SBendtrans-86.7-46-172.9-63.2-56.4000111.7I101 L464 Y466I101-D403 HydrophobicContact CB-CB 4.24Å; I101-D403 HydrophobicContact CG1-CB 4.3Å; I101-D403 HydrophobicContact CG2-CB 3.47Å; I101-D403 VanDerWaalsContact CG2-CB 3.47Å; I101-D403 WeakPolarHBondContact CG2-OD2 3.17Å; D403-L464 PolarHBondContact N-O 3.05Å; D403-Y466 PolarHBondContact OD2-N 3.02Å
404C77.9Confident84.3Confident36 Ų3630.7 Ų30.724%0.24317%0.168CC..EExtended strand (participates in β ladder)trans-156.9168.1173.4640000110.9L464C404-L464 PolarHBondContact O-N 3.41Å
405D85.3Confident83.1Confident42 Ų4232.8 Ų32.823%0.22519%0.185CC..EExtended strand (participates in β ladder)trans-94.4161.1173.260.446.5000112.5K407 S408 V409 F462 V463D405-K407 PolarHBondContact O-N 3.42Å; D405-K407 VanDerWaalsContact OD1-CB 3.27Å; D405-K407 WeakPolarHBondContact OD1-CB 3.36Å; D405-K407 PolarHBondContact OD1-N 2.88Å; D405-S408 WeakPolarHBondContact O-CB 3.34Å; D405-S408 PolarHBondContact O-N 3.42Å; D405-S408 VanDerWaalsContact O-N 3.1Å; D405-S408 WeakPolarHBondContact OD1-CB 3.13Å; D405-S408 PolarHBondContact OD1-N 3.41Å; D405-S408 PolarHBondContact OD1-OG 3.36Å; D405-V409 PolarHBondContact O-N 3.04Å; D405-F462 CarbonylContact C-O 3.56Å; D405-F462 VanDerWaalsContact CA-O 3.31Å; D405-F462 WeakPolarHBondContact CA-O 3.36Å; D405-V463 HydrophobicContact CB-CG2 4.38Å
406L89.6Confident80.9Confident0 Ų035.7 Ų35.70%022%0.217CC..Hα-helixtrans-63.6-26.5179.1-179.765.8000111.6S408 V409 I410 Y436 M440 P459 F462 L469 I548L406-S408 VanDerWaalsContact C-N 3.33Å; L406-S408 PolarHBondContact O-N 2.94Å; L406-V409 HydrophobicContact CD1-CB 4.25Å; L406-V409 HydrophobicContact CD1-CG1 4.34Å; L406-V409 WeakPolarHBondContact O-CB 3.2Å; L406-V409 PolarHBondContact O-N 3.35Å; L406-I410 HydrophobicContact CD1-CD1 4.41Å; L406-I410 HydrophobicContact CD1-CG1 4.25Å; L406-I410 HydrophobicContact CD2-CD1 4.4Å; L406-I410 HydrophobicContact CG-CD1 3.91Å; L406-I410 HydrophobicContact CG-CG1 4.21Å; L406-I410 VanDerWaalsContact O-CG1 3.23Å; L406-I410 WeakPolarHBondContact O-CG1 3.46Å; L406-I410 PolarHBondContact O-N 3.05Å; L406-Y436 HydrophobicContact CD1-CD1 3.8Å; L406-Y436 HydrophobicContact CD1-CE1 4.34Å; L406-Y436 HydrophobicContact CD1-CG 3.98Å; L406-M440 HydrophobicContact CD2-CG 4.04Å; L406-M440 HydrophobicContact CD2-SD 3.49Å; L406-M440 WeakPolarHBondContact CD2-SD 3.31Å; L406-P459 HydrophobicContact CB-CB 4.44Å; L406-P459 WeakPolarHBondContact CB-O 3.19Å; L406-P459 PolarHBondContact N-O 2.82Å; L406-F462 HydrophobicContact CB-CB 3.77Å; L406-F462 HydrophobicContact CD2-CB 4.1Å; L406-F462 HydrophobicContact CD2-CD2 4.31Å; L406-F462 HydrophobicContact CD2-CG 4.29Å; L406-F462 PolarHBondContact N-O 3.18Å; L406-L469 HydrophobicContact CD2-CD1 4.42Å; L406-I548 HydrophobicContact CD2-CG2 4Å
407K87.6Confident78.1Confident82 Ų8236 Ų3636%0.35722%0.224SC..Hα-helixtrans-58.7-48.4172.3-176.3178.8170.5-174.70110.5D405 V409 I410 L411 P459 Q460D405-K407 PolarHBondContact O-N 3.42Å; D405-K407 VanDerWaalsContact OD1-CB 3.27Å; D405-K407 WeakPolarHBondContact OD1-CB 3.36Å; D405-K407 PolarHBondContact OD1-N 2.88Å; K407-V409 VanDerWaalsContact C-N 3.29Å; K407-V409 PolarHBondContact O-N 2.7Å; K407-I410 PolarHBondContact O-N 3.02Å; K407-L411 HydrophobicContact CG-CD1 3.95Å; K407-L411 HydrophobicContact CG-CG 4.31Å; K407-L411 WeakPolarHBondContact O-CB 3.26Å; K407-L411 VanDerWaalsContact O-CG 3.31Å; K407-L411 WeakPolarHBondContact O-CG 3.47Å; K407-L411 PolarHBondContact O-N 3.25Å; K407-P459 HydrophobicContact CB-CB 3.82Å; K407-P459 PolarHBondContact N-O 3.43Å; K407-Q460 HydrophobicContact CB-CG 4.04Å; K407-Q460 HydrophobicContact CD-CG 3.78Å
408S79.4Confident75.2Confident57 Ų5740.7 Ų40.740%0.39926%0.263SS..Hα-helixtrans-62.3-40.2-179.9-57.20000110.8D405 L406 S412D405-S408 WeakPolarHBondContact O-CB 3.34Å; D405-S408 PolarHBondContact O-N 3.42Å; D405-S408 VanDerWaalsContact O-N 3.1Å; D405-S408 WeakPolarHBondContact OD1-CB 3.13Å; D405-S408 PolarHBondContact OD1-N 3.41Å; D405-S408 PolarHBondContact OD1-OG 3.36Å; L406-S408 VanDerWaalsContact C-N 3.33Å; L406-S408 PolarHBondContact O-N 2.94Å; S408-S412 WeakPolarHBondContact O-CB 3.49Å; S408-S412 PolarHBondContact O-N 3.3Å
409V78.6Confident72.4Confident10 Ų1052.4 Ų52.46%0.06131%0.307CS..Hα-helixtrans-59.8-54.7172.8175.50000110.9D405 L406 K407 L411 S412 F413 Y436 L464D405-V409 PolarHBondContact O-N 3.04Å; L406-V409 HydrophobicContact CD1-CB 4.25Å; L406-V409 HydrophobicContact CD1-CG1 4.34Å; L406-V409 WeakPolarHBondContact O-CB 3.2Å; L406-V409 PolarHBondContact O-N 3.35Å; K407-V409 VanDerWaalsContact C-N 3.29Å; K407-V409 PolarHBondContact O-N 2.7Å; V409-L411 PolarHBondContact O-N 3.27Å; V409-S412 WeakPolarHBondContact O-CB 3.05Å; V409-S412 PolarHBondContact O-N 3.08Å; V409-S412 VanDerWaalsContact O-N 3.09Å; V409-S412 PolarHBondContact O-OG 3.06Å; V409-F413 HydrophobicContact CG1-CD2 4.25Å; V409-F413 HydrophobicContact CG1-CE2 3.72Å; V409-F413 WeakPolarHBondContact O-CD2 3.34Å; V409-F413 PolarHBondContact O-N 3.34Å; V409-Y436 HydrophobicContact CG1-CE1 4.26Å; V409-Y436 HydrophobicContact CG1-CE2 3.87Å; V409-L464 HydrophobicContact CG2-CD1 3.51Å
410I82.5Confident69.5Low1 Ų159.3 Ų59.31%0.00534%0.336CS..Hα-helixtrans-59.1-48.6-178.9-64.7168000110.5L406 K407 S412 F413 W414 P459 I548 M551 M552L406-I410 HydrophobicContact CD1-CD1 4.41Å; L406-I410 HydrophobicContact CD1-CG1 4.25Å; L406-I410 HydrophobicContact CD2-CD1 4.4Å; L406-I410 HydrophobicContact CG-CD1 3.91Å; L406-I410 HydrophobicContact CG-CG1 4.21Å; L406-I410 VanDerWaalsContact O-CG1 3.23Å; L406-I410 WeakPolarHBondContact O-CG1 3.46Å; L406-I410 PolarHBondContact O-N 3.05Å; K407-I410 PolarHBondContact O-N 3.02Å; I410-S412 PolarHBondContact O-N 3.27Å; I410-F413 PolarHBondContact O-N 2.88Å; I410-F413 VanDerWaalsContact O-N 3.12Å; I410-W414 VanDerWaalsContact O-CD1 3.24Å; I410-W414 PolarHBondContact O-N 2.7Å; I410-P459 HydrophobicContact CD1-CB 4.26Å; I410-P459 HydrophobicContact CD1-CG 4.39Å; I410-I548 HydrophobicContact CD1-CG2 4.26Å; I410-M551 HydrophobicContact CB-CE 3.9Å; I410-M551 HydrophobicContact CD1-CE 3.97Å; I410-M551 HydrophobicContact CG2-CE 3.53Å; I410-M551 HydrophobicContact CG2-CG 4.15Å; I410-M552 HydrophobicContact CD1-CG 3.58Å; I410-M552 HydrophobicContact CD1-SD 4.46Å; I410-M552 HydrophobicContact CG1-CG 3.85Å
411L78.2Confident67Low77 Ų7764.6 Ų64.640%0.40337%0.374SS..Hα-helixtrans-60-34.2178.1-71.9177.9000112.1K407 V409 F413 W414 S415K407-L411 HydrophobicContact CG-CD1 3.95Å; K407-L411 HydrophobicContact CG-CG 4.31Å; K407-L411 WeakPolarHBondContact O-CB 3.26Å; K407-L411 VanDerWaalsContact O-CG 3.31Å; K407-L411 WeakPolarHBondContact O-CG 3.47Å; K407-L411 PolarHBondContact O-N 3.25Å; V409-L411 PolarHBondContact O-N 3.27Å; L411-F413 VanDerWaalsContact C-N 3.28Å; L411-F413 PolarHBondContact O-N 2.87Å; L411-W414 PolarHBondContact O-N 3.22Å; L411-S415 WeakPolarHBondContact O-CB 3.44Å; L411-S415 PolarHBondContact O-N 3.45Å; L411-S415 PolarHBondContact O-OG 3.15Å
412S72.4Confident64.8Low66 Ų6669.2 Ų69.246%0.46241%0.408SS..Hα-helixtrans-63.3-32.817878.10000113.1S408 V409 I410S408-S412 WeakPolarHBondContact O-CB 3.49Å; S408-S412 PolarHBondContact O-N 3.3Å; V409-S412 WeakPolarHBondContact O-CB 3.05Å; V409-S412 PolarHBondContact O-N 3.08Å; V409-S412 VanDerWaalsContact O-N 3.09Å; V409-S412 PolarHBondContact O-OG 3.06Å; I410-S412 PolarHBondContact O-N 3.27Å
413F70.2Confident62.7Low23 Ų2375.6 Ų75.610%0.10143%0.427CS..Hα-helixtrans-74.7-39.9173.9-69.7-78.4000112V94 V409 I410 L411 M428V94-F413 HydrophobicContact CB-CE1 4.05Å; V94-F413 HydrophobicContact CB-CZ 4.2Å; V94-F413 HydrophobicContact CG1-CE1 3.67Å; V94-F413 HydrophobicContact CG1-CE2 4.4Å; V94-F413 HydrophobicContact CG1-CZ 3.36Å; V94-F413 HydrophobicContact CG2-CD1 3.86Å; V94-F413 HydrophobicContact CG2-CE1 3.29Å; V94-F413 HydrophobicContact CG2-CZ 3.77Å; V409-F413 HydrophobicContact CG1-CD2 4.25Å; V409-F413 HydrophobicContact CG1-CE2 3.72Å; V409-F413 WeakPolarHBondContact O-CD2 3.34Å; V409-F413 PolarHBondContact O-N 3.34Å; I410-F413 PolarHBondContact O-N 2.88Å; I410-F413 VanDerWaalsContact O-N 3.12Å; L411-F413 VanDerWaalsContact C-N 3.28Å; L411-F413 PolarHBondContact O-N 2.87Å; F413-M428 HydrophobicContact CB-CB 4.28Å; F413-M428 HydrophobicContact CD1-CG 4.35Å; F413-M428 HydrophobicContact CD2-CB 4.39Å; F413-M428 HydrophobicContact CD2-CG 3.87Å; F413-M428 HydrophobicContact CD2-SD 4.27Å; F413-M428 HydrophobicContact CE1-CG 4.42Å; F413-M428 HydrophobicContact CE2-CE 4.12Å; F413-M428 HydrophobicContact CE2-CG 3.99Å; F413-M428 HydrophobicContact CE2-SD 4.4Å; F413-M428 HydrophobicContact CG-CB 4.19Å; F413-M428 HydrophobicContact CG-CG 4.06Å; F413-M428 HydrophobicContact CZ-CG 4.26Å
414W73.1Confident61.1Low64 Ų6478.5 Ų78.524%0.24245%0.45CS..Hα-helixtrans-87-19.3-174.9-69.2101.4000114.6I410 L411 P425 M551 M552 V553 Y554 G555I410-W414 VanDerWaalsContact O-CD1 3.24Å; I410-W414 PolarHBondContact O-N 2.7Å; L411-W414 PolarHBondContact O-N 3.22Å; W414-P425 HydrophobicContact CE3-CB 4.4Å; W414-M551 PolarHBondContact NE1-O 3.08Å; W414-M552 PolarHBondContact NE1-O 3.43Å; W414-V553 WeakPolarHBondContact CZ2-O 3.48Å; W414-Y554 VanDerWaalsContact CH2-C 3.44Å; W414-Y554 VanDerWaalsContact CZ2-C 3.47Å; W414-G555 VanDerWaalsContact CE2-N 3.33Å
415S65.1Low59.5Low81 Ų8179.8 Ų79.857%0.56646%0.458SS*.G310 helixtrans-81.5-11.1-179-56.60000114L411 G417L411-S415 WeakPolarHBondContact O-CB 3.44Å; L411-S415 PolarHBondContact O-N 3.45Å; L411-S415 PolarHBondContact O-OG 3.15Å; S415-G417 VanDerWaalsContact C-N 3.27Å; S415-G417 PolarHBondContact O-N 3.42Å; S415-G417 VanDerWaalsContact O-N 3.14Å
416G48.2Very low58Low66 Ų6680.2 Ų80.268%0.6847%0.465SS*.G310 helixtrans-70-3.1-170.300000117.4
417G36.1Very low56.7Low24 Ų2481.5 Ų81.525%0.24748%0.478CS..G310 helixtrans-101.9-13.6-169.400000117.7S415 R419S415-G417 VanDerWaalsContact C-N 3.27Å; S415-G417 PolarHBondContact O-N 3.42Å; S415-G417 VanDerWaalsContact O-N 3.14Å; G417-R419 VanDerWaalsContact C-N 3.3Å; G417-R419 PolarHBondContact O-N 2.8Å
418A34Very low55.7Low98 Ų9878.2 Ų78.281%0.8146%0.464SS*.THydrogen-bonded Turntrans-74.1-13.8-169.400000115.1
419R37.6Very low55.3Low246 Ų24679.3 Ų79.393%0.92847%0.465SS*.THydrogen-bonded Turntrans-98.9-2.6-175.8-88.1-173.1152.1107.7-0.8115.9G417G417-R419 VanDerWaalsContact C-N 3.3Å; G417-R419 PolarHBondContact O-N 2.8Å
420K34.6Very low55.2Low165 Ų16582.2 Ų82.272%0.71748%0.482SS*.  trans-140.8106.9163.7-78.8-170.2178.8-179.80109.4S422K420-S422 PolarHBondContact O-N 3.14Å
421P38.3Very low54.9Low143 Ų14385.4 Ų85.493%0.92951%0.505SS*.THydrogen-bonded Turntrans-66.74.6-174.224.1-32.3000115.6
422S37.8Very low54.8Low113 Ų11382.4 Ų82.479%0.7949%0.492SS*.THydrogen-bonded Turntrans-102.8-4.2-176.8-167.90000115K420K420-S422 PolarHBondContact O-N 3.14Å
423R37Very low55.4Low151 Ų15179.8 Ų79.857%0.5747%0.473SS*.SBendtrans-117.3122.2175.2-7217877.796.8-6.9109.2
424S39.3Very low56.1Low103 Ų10379.5 Ų79.572%0.7247%0.473SS*.  trans-45.8138.9165.5178.60000108.7S426S424-S426 PolarHBondContact O-N 2.77Å
425P44.1Very low56.6Low63 Ų6380.7 Ų80.741%0.40948%0.48SS..  trans-50.4117.8172.210.5-17.8000108.5W414 G427W414-P425 HydrophobicContact CE3-CB 4.4Å; P425-G427 PolarHBondContact O-N 3.4Å
426S53.3Low57.8Low52 Ų5277.2 Ų77.236%0.36446%0.455SS..  trans-67.491.3170.8-71.60000105.9D90 S424D90-S426 WeakPolarHBondContact OD2-CB 3.11Å; D90-S426 PolarHBondContact OD2-OG 3.4Å; S424-S426 PolarHBondContact O-N 2.77Å
427G62.9Low60.1Low26 Ų2674 Ų7427%0.26842%0.422SS..PPolyproline II helixtrans-54173.317400000111.3P425 L429P425-G427 PolarHBondContact O-N 3.4Å; G427-L429 PolarHBondContact O-N 2.79Å
428M67.7Low62.8Low13 Ų1375.1 Ų75.16%0.06442%0.422CS..PPolyproline II helixtrans-58.2133.4179.1-163.8172.7176.900111F413 I433 Y436 M552F413-M428 HydrophobicContact CB-CB 4.28Å; F413-M428 HydrophobicContact CD1-CG 4.35Å; F413-M428 HydrophobicContact CD2-CB 4.39Å; F413-M428 HydrophobicContact CD2-CG 3.87Å; F413-M428 HydrophobicContact CD2-SD 4.27Å; F413-M428 HydrophobicContact CE1-CG 4.42Å; F413-M428 HydrophobicContact CE2-CE 4.12Å; F413-M428 HydrophobicContact CE2-CG 3.99Å; F413-M428 HydrophobicContact CE2-SD 4.4Å; F413-M428 HydrophobicContact CG-CB 4.19Å; F413-M428 HydrophobicContact CG-CG 4.06Å; F413-M428 HydrophobicContact CZ-CG 4.26Å; M428-I433 HydrophobicContact CB-CD1 4.12Å; M428-I433 HydrophobicContact CB-CG1 3.79Å; M428-I433 HydrophobicContact CE-CG1 4.44Å; M428-I433 HydrophobicContact CG-CG1 3.66Å; M428-I433 WeakPolarHBondContact O-CD1 3.3Å; M428-I433 HydrophobicContact SD-CG1 3.75Å; M428-Y436 HydrophobicContact CE-CD2 3.12Å; M428-Y436 HydrophobicContact CE-CE2 3.68Å; M428-Y436 HydrophobicContact CE-CG 4.04Å; M428-M552 HydrophobicContact CE-SD 4.2Å; M428-M552 HydrophobicContact SD-CB 3.85Å; M428-M552 HydrophobicContact SD-CG 4.06Å; M428-M552 HydrophobicContact SD-SD 4.19Å
429L70.3Confident65.6Low81 Ų8170.9 Ų70.942%0.42439%0.386SS..PPolyproline II helixtrans-60.7144.9176.6-64.4170.6000110.4C91 G427 S431 G432 I433C91-L429 HydrophobicContact CB-CD1 4.43Å; C91-L429 VanDerWaalsContact SG-CD1 3.53Å; G427-L429 PolarHBondContact O-N 2.79Å; L429-S431 VanDerWaalsContact C-N 3.26Å; L429-S431 PolarHBondContact O-N 2.91Å; L429-G432 WeakPolarHBondContact O-CA 3.46Å; L429-G432 PolarHBondContact O-N 2.99Å; L429-I433 WeakPolarHBondContact O-CG1 3.24Å; L429-I433 PolarHBondContact O-N 2.75Å
430T77.5Confident68.4Low70 Ų7059.1 Ų59.143%0.42934%0.342SS..Hα-helixtrans-51.5-44.5175.4-54.60000112.3G432 I433 V434 N585T430-G432 PolarHBondContact O-N 2.85Å; T430-I433 PolarHBondContact O-N 3.29Å; T430-V434 HydrophobicContact CG2-CG2 4.41Å; T430-V434 VanDerWaalsContact O-CG2 3.26Å; T430-V434 WeakPolarHBondContact O-CG2 3.49Å; T430-V434 PolarHBondContact O-N 3.22Å; T430-N585 HydrophobicContact CG2-CB 3.65Å; T430-N585 WeakPolarHBondContact CG2-ND2 3.47Å
431S74.4Confident71.5Confident68 Ų6851.3 Ų51.348%0.47631%0.307SS..Hα-helixtrans-63.2-41.2178.251.20000112.4L429 V434 F435L429-S431 VanDerWaalsContact C-N 3.26Å; L429-S431 PolarHBondContact O-N 2.91Å; S431-V434 PolarHBondContact O-N 2.83Å; S431-F435 WeakPolarHBondContact O-CB 3.32Å; S431-F435 PolarHBondContact O-N 2.76Å
432G76.9Confident74.2Confident14 Ų1449.9 Ų49.914%0.14428%0.284CS..Hα-helixtrans-59.5-49.7171.600000111.5L429 T430 V434 F435 Y436L429-G432 WeakPolarHBondContact O-CA 3.46Å; L429-G432 PolarHBondContact O-N 2.99Å; T430-G432 PolarHBondContact O-N 2.85Å; G432-V434 VanDerWaalsContact C-N 3.32Å; G432-V434 PolarHBondContact O-N 3.39Å; G432-F435 PolarHBondContact O-N 3.49Å; G432-Y436 WeakPolarHBondContact O-CD2 3.43Å; G432-Y436 PolarHBondContact O-N 3.34Å
433I84.9Confident77Confident11 Ų1144.5 Ų44.56%0.05625%0.246CC..Hα-helixtrans-56.8-48.4179-64.1169.7000110.1M428 L429 T430 F435 W437 L549 M552 V553 I588M428-I433 HydrophobicContact CB-CD1 4.12Å; M428-I433 HydrophobicContact CB-CG1 3.79Å; M428-I433 HydrophobicContact CE-CG1 4.44Å; M428-I433 HydrophobicContact CG-CG1 3.66Å; M428-I433 WeakPolarHBondContact O-CD1 3.3Å; M428-I433 HydrophobicContact SD-CG1 3.75Å; L429-I433 WeakPolarHBondContact O-CG1 3.24Å; L429-I433 PolarHBondContact O-N 2.75Å; T430-I433 PolarHBondContact O-N 3.29Å; I433-F435 PolarHBondContact O-N 2.85Å; I433-W437 WeakPolarHBondContact O-CB 3.36Å; I433-W437 PolarHBondContact O-N 2.89Å; I433-L549 HydrophobicContact CG2-CD1 3.7Å; I433-M552 HydrophobicContact CG1-CB 4.37Å; I433-M552 HydrophobicContact CG2-CE 4.34Å; I433-V553 HydrophobicContact CD1-CG2 4.02Å; I433-V553 HydrophobicContact CG2-CG2 4.18Å; I433-I588 HydrophobicContact CG2-CD1 4.07Å; I433-I588 HydrophobicContact CG2-CG1 4.48Å; I433-I588 HydrophobicContact CG2-CG2 4.24Å
434V85.6Confident79.9Confident17 Ų1737.3 Ų37.310%0.10322%0.219CC..Hα-helixtrans-58.9-46.4178.2170.70000111.3T430 S431 G432 W437 D438 I588 Y614 V615T430-V434 HydrophobicContact CG2-CG2 4.41Å; T430-V434 VanDerWaalsContact O-CG2 3.26Å; T430-V434 WeakPolarHBondContact O-CG2 3.49Å; T430-V434 PolarHBondContact O-N 3.22Å; S431-V434 PolarHBondContact O-N 2.83Å; G432-V434 VanDerWaalsContact C-N 3.32Å; G432-V434 PolarHBondContact O-N 3.39Å; V434-W437 PolarHBondContact O-N 2.88Å; V434-D438 WeakPolarHBondContact O-CB 3.34Å; V434-D438 PolarHBondContact O-N 3.35Å; V434-I588 HydrophobicContact CG2-CD1 3.97Å; V434-I588 HydrophobicContact CG2-CG1 4Å; V434-Y614 HydrophobicContact CG1-CG 4.47Å; V434-V615 HydrophobicContact CG1-CG2 4.07Å
435F84Confident82.6Confident89 Ų8935.1 Ų35.139%0.3920%0.196SC..Hα-helixtrans-59.3-53.2179.6173.7-102.4000112.4S431 G432 I433 W437 Q439S431-F435 WeakPolarHBondContact O-CB 3.32Å; S431-F435 PolarHBondContact O-N 2.76Å; G432-F435 PolarHBondContact O-N 3.49Å; I433-F435 PolarHBondContact O-N 2.85Å; F435-W437 VanDerWaalsContact C-N 3.35Å; F435-Q439 WeakPolarHBondContact O-CG 3.44Å; F435-Q439 PolarHBondContact O-N 2.96Å
436Y89.4Confident85Confident8 Ų832.7 Ų32.73%0.03118%0.181CC..Hα-helixtrans-70.5-33-179.5-69.8-74.7000112.2L406 V409 M428 G432 Q439 M440 L464 L469L406-Y436 HydrophobicContact CD1-CD1 3.8Å; L406-Y436 HydrophobicContact CD1-CE1 4.34Å; L406-Y436 HydrophobicContact CD1-CG 3.98Å; V409-Y436 HydrophobicContact CG1-CE1 4.26Å; V409-Y436 HydrophobicContact CG1-CE2 3.87Å; M428-Y436 HydrophobicContact CE-CD2 3.12Å; M428-Y436 HydrophobicContact CE-CE2 3.68Å; M428-Y436 HydrophobicContact CE-CG 4.04Å; G432-Y436 WeakPolarHBondContact O-CD2 3.43Å; G432-Y436 PolarHBondContact O-N 3.34Å; Y436-Q439 PolarHBondContact O-N 2.92Å; Y436-M440 WeakPolarHBondContact O-CB 3.22Å; Y436-M440 WeakPolarHBondContact O-CG 3.5Å; Y436-M440 PolarHBondContact O-N 2.87Å; Y436-L464 HydrophobicContact CE1-CD1 4.16Å; Y436-L464 HydrophobicContact CE1-CD2 4.1Å; Y436-L464 HydrophobicContact CE1-CG 4.46Å; Y436-L469 HydrophobicContact CD1-CD1 3.98Å; Y436-L469 HydrophobicContact CD1-CD2 4.17Å; Y436-L469 HydrophobicContact CD1-CG 4.11Å; Y436-L469 HydrophobicContact CE1-CD2 4.4Å
437W95.3Very high87Confident0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-62.3-49.7175.7179.2-118.6000112.6I433 V434 F435 Q439 M440 L441 L545 L549 M552 I588 A591 L609 Y614I433-W437 WeakPolarHBondContact O-CB 3.36Å; I433-W437 PolarHBondContact O-N 2.89Å; V434-W437 PolarHBondContact O-N 2.88Å; F435-W437 VanDerWaalsContact C-N 3.35Å; W437-Q439 VanDerWaalsContact C-N 3.29Å; W437-Q439 PolarHBondContact O-N 3.14Å; W437-M440 HydrophobicContact CE3-CE 4.03Å; W437-M440 HydrophobicContact CE3-SD 4.46Å; W437-M440 HydrophobicContact CZ3-CE 4.05Å; W437-M440 PolarHBondContact O-N 3.12Å; W437-L441 HydrophobicContact CD2-CD1 4.28Å; W437-L441 HydrophobicContact CD2-CG 4.28Å; W437-L441 HydrophobicContact CG-CD1 4.44Å; W437-L441 HydrophobicContact CH2-CD2 4.12Å; W437-L441 HydrophobicContact CZ2-CD1 4.09Å; W437-L441 HydrophobicContact CZ2-CD2 3.84Å; W437-L441 HydrophobicContact CZ2-CG 4.11Å; W437-L441 WeakPolarHBondContact O-CG 3.44Å; W437-L441 PolarHBondContact O-N 3.26Å; W437-L545 HydrophobicContact CH2-CB 3.91Å; W437-L545 HydrophobicContact CZ3-CB 3.81Å; W437-L545 WeakPolarHBondContact CZ3-O 2.94Å; W437-L549 HydrophobicContact CB-CD1 4.4Å; W437-L549 HydrophobicContact CD2-CD1 4.05Å; W437-L549 HydrophobicContact CD2-CD2 3.97Å; W437-L549 HydrophobicContact CD2-CG 4.44Å; W437-L549 HydrophobicContact CE3-CB 3.89Å; W437-L549 HydrophobicContact CE3-CD1 3.98Å; W437-L549 HydrophobicContact CE3-CD2 4.03Å; W437-L549 HydrophobicContact CE3-CG 4.18Å; W437-L549 HydrophobicContact CG-CD1 4.24Å; W437-L549 HydrophobicContact CH2-CB 4.31Å; W437-L549 HydrophobicContact CH2-CD2 3.94Å; W437-L549 HydrophobicContact CZ2-CD2 3.88Å; W437-L549 HydrophobicContact CZ3-CB 3.72Å; W437-L549 HydrophobicContact CZ3-CD2 4.02Å; W437-L549 HydrophobicContact CZ3-CG 4.32Å; W437-M552 HydrophobicContact CB-CE 4.25Å; W437-M552 HydrophobicContact CE3-CE 4.3Å; W437-I588 HydrophobicContact CG-CD1 4.4Å; W437-A591 HydrophobicContact CZ2-CB 4.12Å; W437-L609 HydrophobicContact CH2-CD1 4.38Å; W437-L609 HydrophobicContact CZ2-CD1 4.02Å; W437-L609 HydrophobicContact CZ2-CD2 4.47Å; W437-Y614 AromaticContact CD1-CE1 3.62Å; W437-Y614 AromaticContact CD1-CE2 3.91Å; W437-Y614 AromaticContact CD1-CZ 3.48Å; W437-Y614 VanDerWaalsContact CD1-CZ 3.48Å; W437-Y614 AromaticContact NE1-CE1 3.52Å; W437-Y614 AromaticContact NE1-CE2 3.91Å; W437-Y614 AromaticContact NE1-CZ 3.17Å; W437-Y614 PolarHBondContact NE1-OH 2.86Å
438D92.7Very high88.5Confident46 Ų4629.2 Ų29.225%0.24615%0.153CC..Hα-helixtrans-56.8-45.2175.3169.785.3000110.9V434 M440 L441 R442V434-D438 WeakPolarHBondContact O-CB 3.34Å; V434-D438 PolarHBondContact O-N 3.35Å; D438-M440 PolarHBondContact O-N 3.45Å; D438-L441 PolarHBondContact O-N 3.48Å; D438-R442 VanDerWaalsContact CG-NE 3.3Å; D438-R442 WeakPolarHBondContact O-CG 3.34Å; D438-R442 PolarHBondContact O-N 3.29Å; D438-R442 IonicContact OD1-CZ 3.49Å; D438-R442 IonicContact OD1-NE 3.95Å; D438-R442 PolarHBondContact OD1-NE 3Å; D438-R442 VanDerWaalsContact OD1-NE 3.15Å; D438-R442 IonicContact OD1-NH2 3.59Å; D438-R442 PolarHBondContact OD1-NH2 3.48Å; D438-R442 WeakPolarHBondContact OD2-CD 3.25Å; D438-R442 IonicContact OD2-CZ 3.15Å; D438-R442 IonicContact OD2-NE 3.94Å; D438-R442 PolarHBondContact OD2-NE 3.31Å; D438-R442 IonicContact OD2-NH2 2.8Å
439Q93.2Very high89.7Confident9 Ų933.1 Ų33.14%0.04217%0.174CC..Hα-helixtrans-64.1-42178.2-70.2-156.17500113.3F435 Y436 W437 L441 R442 C443 G467 Q468 L469F435-Q439 WeakPolarHBondContact O-CG 3.44Å; F435-Q439 PolarHBondContact O-N 2.96Å; Y436-Q439 PolarHBondContact O-N 2.92Å; W437-Q439 VanDerWaalsContact C-N 3.29Å; W437-Q439 PolarHBondContact O-N 3.14Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-L441 PolarHBondContact O-N 2.74Å; Q439-R442 PolarHBondContact O-N 3.15Å; Q439-C443 PolarHBondContact O-N 2.92Å; Q439-C443 PolarHBondContact O-SG 2.99Å; Q439-G467 PolarHBondContact NE2-O 3.05Å; Q439-Q468 VanDerWaalsContact OE1-CA 3.26Å; Q439-L469 HydrophobicContact CB-CB 4.06Å; Q439-L469 HydrophobicContact CB-CD1 3.92Å; Q439-L469 HydrophobicContact CB-CG 4.07Å
440M97.9Very high90.7Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-59.9-44.5175.3-73.5164.854.800111.4L406 Y436 W437 D438 C443 V444 F462 L469 L545 I548 M552L406-M440 HydrophobicContact CD2-CG 4.04Å; L406-M440 HydrophobicContact CD2-SD 3.49Å; L406-M440 WeakPolarHBondContact CD2-SD 3.31Å; Y436-M440 WeakPolarHBondContact O-CB 3.22Å; Y436-M440 WeakPolarHBondContact O-CG 3.5Å; Y436-M440 PolarHBondContact O-N 2.87Å; W437-M440 HydrophobicContact CE3-CE 4.03Å; W437-M440 HydrophobicContact CE3-SD 4.46Å; W437-M440 HydrophobicContact CZ3-CE 4.05Å; W437-M440 PolarHBondContact O-N 3.12Å; D438-M440 PolarHBondContact O-N 3.45Å; M440-C443 WeakPolarHBondContact O-CB 3.43Å; M440-C443 PolarHBondContact O-N 3.12Å; M440-V444 PolarHBondContact O-N 3.1Å; M440-V444 VanDerWaalsContact O-N 3.1Å; M440-F462 HydrophobicContact CB-CD1 4.47Å; M440-F462 HydrophobicContact CB-CE1 3.91Å; M440-F462 HydrophobicContact CB-CZ 4.21Å; M440-F462 HydrophobicContact CG-CD1 3.91Å; M440-F462 HydrophobicContact CG-CE1 3.78Å; M440-F462 HydrophobicContact CG-CE2 4.48Å; M440-F462 HydrophobicContact CG-CG 4.3Å; M440-F462 HydrophobicContact CG-CZ 4.08Å; M440-L469 HydrophobicContact CG-CD1 3.73Å; M440-L545 HydrophobicContact CB-CD2 4.02Å; M440-L545 HydrophobicContact CE-CD2 3.54Å; M440-I548 HydrophobicContact CE-CB 3.67Å; M440-I548 HydrophobicContact CE-CD1 4.05Å; M440-I548 HydrophobicContact CE-CG1 4.48Å; M440-I548 HydrophobicContact CE-CG2 3.4Å; M440-I548 VanDerWaalsContact CE-CG2 3.4Å; M440-I548 HydrophobicContact SD-CG2 3.94Å; M440-M552 HydrophobicContact SD-CE 3.89Å; M440-M552 HydrophobicContact SD-SD 4.22Å
441L98Very high91.3Very high0 Ų035.9 Ų35.90%017%0.171CC..Hα-helixtrans-61.6-43.7176.7-70.9173.7000111.7W437 D438 Q439 C443 V444 K445 L545 V606 L609 L610W437-L441 HydrophobicContact CD2-CD1 4.28Å; W437-L441 HydrophobicContact CD2-CG 4.28Å; W437-L441 HydrophobicContact CG-CD1 4.44Å; W437-L441 HydrophobicContact CH2-CD2 4.12Å; W437-L441 HydrophobicContact CZ2-CD1 4.09Å; W437-L441 HydrophobicContact CZ2-CD2 3.84Å; W437-L441 HydrophobicContact CZ2-CG 4.11Å; W437-L441 WeakPolarHBondContact O-CG 3.44Å; W437-L441 PolarHBondContact O-N 3.26Å; D438-L441 PolarHBondContact O-N 3.48Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-L441 PolarHBondContact O-N 2.74Å; L441-C443 VanDerWaalsContact C-N 3.3Å; L441-C443 PolarHBondContact O-N 3.3Å; L441-V444 PolarHBondContact O-N 3.38Å; L441-K445 VanDerWaalsContact O-CB 3.32Å; L441-K445 WeakPolarHBondContact O-CB 3.35Å; L441-K445 PolarHBondContact O-N 2.61Å; L441-L545 HydrophobicContact CD2-CD1 3.94Å; L441-V606 HydrophobicContact CB-CG2 4.28Å; L441-V606 HydrophobicContact CD2-CG2 4.03Å; L441-V606 WeakPolarHBondContact O-CG2 3.48Å; L441-L609 HydrophobicContact CD1-CB 3.91Å; L441-L609 HydrophobicContact CD2-CB 3.77Å; L441-L609 HydrophobicContact CD2-CD1 3.87Å; L441-L609 HydrophobicContact CD2-CG 4.49Å; L441-L610 HydrophobicContact CB-CD1 4.46Å; L441-L610 HydrophobicContact CB-CD2 3.62Å; L441-L610 HydrophobicContact CB-CG 3.89Å; L441-L610 HydrophobicContact CD1-CD2 4.01Å; L441-L610 HydrophobicContact CD1-CG 4.18Å; L441-L610 HydrophobicContact CG-CD2 4.48Å
442R95.8Very high92.1Very high114 Ų11432.9 Ų32.943%0.4315%0.149SC..Hα-helixtrans-61.7-37.5176-70.5175.3-168.4-85.8-11.2112.5R381 D438 Q439 A446 L610R381-R442 HydrophobicContact CG-CB 4.4Å; D438-R442 VanDerWaalsContact CG-NE 3.3Å; D438-R442 WeakPolarHBondContact O-CG 3.34Å; D438-R442 PolarHBondContact O-N 3.29Å; D438-R442 IonicContact OD1-CZ 3.49Å; D438-R442 IonicContact OD1-NE 3.95Å; D438-R442 PolarHBondContact OD1-NE 3Å; D438-R442 VanDerWaalsContact OD1-NE 3.15Å; D438-R442 IonicContact OD1-NH2 3.59Å; D438-R442 PolarHBondContact OD1-NH2 3.48Å; D438-R442 WeakPolarHBondContact OD2-CD 3.25Å; D438-R442 IonicContact OD2-CZ 3.15Å; D438-R442 IonicContact OD2-NE 3.94Å; D438-R442 PolarHBondContact OD2-NE 3.31Å; D438-R442 IonicContact OD2-NH2 2.8Å; Q439-R442 PolarHBondContact O-N 3.15Å; R442-A446 WeakPolarHBondContact O-CB 3.39Å; R442-A446 PolarHBondContact O-N 3.24Å; R442-L610 HydrophobicContact CG-CD2 4.34Å
443C97Very high92.7Very high0 Ų032.2 Ų32.20%014%0.142CC..Hα-helixtrans-62.8-48.2175.1-62.10000112.3R381 Q439 M440 L441 A446 L447 F462 L469 L471R381-C443 HydrophobicContact CB-CB 4.2Å; Q439-C443 PolarHBondContact O-N 2.92Å; Q439-C443 PolarHBondContact O-SG 2.99Å; M440-C443 WeakPolarHBondContact O-CB 3.43Å; M440-C443 PolarHBondContact O-N 3.12Å; L441-C443 VanDerWaalsContact C-N 3.3Å; L441-C443 PolarHBondContact O-N 3.3Å; C443-A446 WeakPolarHBondContact O-CB 3.33Å; C443-A446 PolarHBondContact O-N 2.69Å; C443-L447 PolarHBondContact O-N 3.36Å; C443-F462 HydrophobicContact CB-CE1 4.03Å; C443-L469 PolarHBondContact SG-O 3.04Å; C443-L471 HydrophobicContact CB-CD1 3.62Å; C443-L471 HydrophobicContact CB-CG 3.74Å
444V97.5Very high93Very high0 Ų031.7 Ų31.70%014%0.14CC..Hα-helixtrans-68.5-37.8179.51750000111.3M440 L441 A446 L447 H448 L457 L471 D541 L545M440-V444 PolarHBondContact O-N 3.1Å; M440-V444 VanDerWaalsContact O-N 3.1Å; L441-V444 PolarHBondContact O-N 3.38Å; V444-A446 VanDerWaalsContact C-N 3.33Å; V444-A446 PolarHBondContact O-N 2.9Å; V444-L447 WeakPolarHBondContact O-CB 3.3Å; V444-L447 PolarHBondContact O-N 3.38Å; V444-H448 WeakPolarHBondContact CG1-CE1 3.35Å; V444-H448 VanDerWaalsContact CG1-NE2 3.33Å; V444-H448 WeakPolarHBondContact CG1-NE2 3.36Å; V444-H448 PolarHBondContact O-CD2 2.96Å; V444-H448 PolarHBondContact O-N 2.64Å; V444-L457 HydrophobicContact CG2-CD1 3.54Å; V444-L457 HydrophobicContact CG2-CD2 4.35Å; V444-L471 HydrophobicContact CG2-CD1 4.46Å; V444-D541 HydrophobicContact CG1-CB 4.07Å; V444-L545 HydrophobicContact CB-CD1 4.13Å; V444-L545 HydrophobicContact CG1-CD1 4.33Å; V444-L545 HydrophobicContact CG2-CD1 3.83Å; V444-L545 HydrophobicContact CG2-CD2 3.94Å; V444-L545 HydrophobicContact CG2-CG 4.15Å
445K96.5Very high93.2Very high56 Ų5631.2 Ų31.224%0.24314%0.136CC..Hα-helixtrans-57.8-44.5172.7178.2166.5178.160.80111.8L441 L447 H448 D449 V606 D607 L610L441-K445 VanDerWaalsContact O-CB 3.32Å; L441-K445 WeakPolarHBondContact O-CB 3.35Å; L441-K445 PolarHBondContact O-N 2.61Å; K445-L447 PolarHBondContact O-N 3.32Å; K445-H448 PolarHBondContact O-N 3.02Å; K445-H448 VanDerWaalsContact O-N 3.12Å; K445-D449 VanDerWaalsContact CE-OD2 3.29Å; K445-D449 WeakPolarHBondContact CE-OD2 3.42Å; K445-D449 WeakPolarHBondContact CG-OD2 3.28Å; K445-D449 IonicContact NZ-OD1 3.83Å; K445-D449 PolarHBondContact NZ-OD1 3.23Å; K445-D449 IonicContact NZ-OD2 2.82Å; K445-D449 PolarHBondContact NZ-OD2 3.46Å; K445-D449 VanDerWaalsContact NZ-OD2 3.15Å; K445-D449 WeakPolarHBondContact O-CB 3.49Å; K445-D449 VanDerWaalsContact O-CG 3.27Å; K445-D449 PolarHBondContact O-N 2.99Å; K445-V606 HydrophobicContact CB-CG1 4.21Å; K445-V606 HydrophobicContact CB-CG2 3.91Å; K445-D607 IonicContact NZ-OD1 2.83Å; K445-D607 PolarHBondContact NZ-OD1 3.46Å; K445-L610 HydrophobicContact CB-CD1 4.08Å; K445-L610 HydrophobicContact CD-CD1 3.43Å; K445-L610 VanDerWaalsContact CD-CD1 3.43Å; K445-L610 HydrophobicContact CG-CD1 4.33Å
446A95.1Very high93.4Very high12 Ų1228 Ų2810%0.09912%0.123CC..Hα-helixtrans-58.8-31.8179.400000113.3R381 R442 C443 V444 R450R381-A446 HydrophobicContact CB-CB 4.09Å; R381-A446 HydrophobicContact CG-CB 4.4Å; R442-A446 WeakPolarHBondContact O-CB 3.39Å; R442-A446 PolarHBondContact O-N 3.24Å; C443-A446 WeakPolarHBondContact O-CB 3.33Å; C443-A446 PolarHBondContact O-N 2.69Å; V444-A446 VanDerWaalsContact C-N 3.33Å; V444-A446 PolarHBondContact O-N 2.9Å; A446-R450 PolarHBondContact O-NH1 2.92Å; A446-R450 VanDerWaalsContact O-NH1 3.1Å
447L94.4Very high93.7Very high0 Ų027.6 Ų27.60%012%0.122CC..Hα-helixtrans-75.9-50.5171.2-65.7-179.4000111.8L376 I382 C443 V444 K445 D449 R450 R451 I452 H454 L471 L474L376-L447 HydrophobicContact CD1-CD2 3.74Å; L376-L447 HydrophobicContact CD2-CD2 4.35Å; I382-L447 HydrophobicContact CD1-CD1 4.41Å; I382-L447 HydrophobicContact CD1-CD2 3.54Å; I382-L447 HydrophobicContact CD1-CG 3.83Å; I382-L447 HydrophobicContact CG1-CD2 4.23Å; C443-L447 PolarHBondContact O-N 3.36Å; V444-L447 WeakPolarHBondContact O-CB 3.3Å; V444-L447 PolarHBondContact O-N 3.38Å; K445-L447 PolarHBondContact O-N 3.32Å; L447-D449 VanDerWaalsContact C-N 3.32Å; L447-D449 PolarHBondContact O-N 2.92Å; L447-R450 CarbonylContact O-C 3.59Å; L447-R450 WeakPolarHBondContact O-CA 3.5Å; L447-R450 PolarHBondContact O-N 3.44Å; L447-R451 PolarHBondContact O-N 2.69Å; L447-I452 CarbonylContact C-O 3.53Å; L447-I452 VanDerWaalsContact C-O 3.31Å; L447-I452 HydrophobicContact CB-CB 4.12Å; L447-I452 HydrophobicContact CB-CG2 4.28Å; L447-I452 HydrophobicContact CD2-CB 4.28Å; L447-I452 HydrophobicContact CD2-CD1 4.48Å; L447-I452 HydrophobicContact CD2-CG2 3.98Å; L447-I452 PolarHBondContact O-N 3.26Å; L447-H454 HydrophobicContact CD1-CB 3.98Å; L447-L471 HydrophobicContact CD1-CD1 3.67Å; L447-L471 HydrophobicContact CG-CD1 4.33Å; L447-L474 HydrophobicContact CD1-CD2 4.24Å; L447-L474 HydrophobicContact CD2-CD2 4.3Å
448H94.6Very high93.6Very high6 Ų629 Ų293%0.02813%0.128CC..Hα-helixtrans-62.7-36.7-174.8-74.8-167.5000112.7V444 K445 R450 R451 I452 R538 D541 V606V444-H448 WeakPolarHBondContact CG1-CE1 3.35Å; V444-H448 VanDerWaalsContact CG1-NE2 3.33Å; V444-H448 WeakPolarHBondContact CG1-NE2 3.36Å; V444-H448 PolarHBondContact O-CD2 2.96Å; V444-H448 PolarHBondContact O-N 2.64Å; K445-H448 PolarHBondContact O-N 3.02Å; K445-H448 VanDerWaalsContact O-N 3.12Å; H448-R450 PolarHBondContact O-N 2.93Å; H448-R451 PolarHBondContact O-N 3.38Å; H448-I452 PolarHBondContact CD2-O 2.97Å; H448-I452 VanDerWaalsContact CD2-O 3.25Å; H448-I452 PolarHBondContact N-O 3.19Å; H448-R538 PolarHBondContact CE1-O 2.91Å; H448-R538 PolarHBondContact O-NH2 2.9Å; H448-D541 IonicContact CD2-OD2 3.58Å; H448-D541 IonicContact CE1-OD2 3.09Å; H448-D541 IonicContact NE2-OD2 3.75Å; H448-D541 PolarHBondContact NE2-OD2 3.2Å; H448-V606 HydrophobicContact CB-CG1 4.48Å
449D93.4Very high93.6Very high94 Ų9426.9 Ų26.950%0.50312%0.117SC..THydrogen-bonded Turntrans-62.2-27.3175.1-72.1-9.7000111.7K445 L447K445-D449 VanDerWaalsContact CE-OD2 3.29Å; K445-D449 WeakPolarHBondContact CE-OD2 3.42Å; K445-D449 WeakPolarHBondContact CG-OD2 3.28Å; K445-D449 IonicContact NZ-OD1 3.83Å; K445-D449 PolarHBondContact NZ-OD1 3.23Å; K445-D449 IonicContact NZ-OD2 2.82Å; K445-D449 PolarHBondContact NZ-OD2 3.46Å; K445-D449 VanDerWaalsContact NZ-OD2 3.15Å; K445-D449 WeakPolarHBondContact O-CB 3.49Å; K445-D449 VanDerWaalsContact O-CG 3.27Å; K445-D449 PolarHBondContact O-N 2.99Å; L447-D449 VanDerWaalsContact C-N 3.32Å; L447-D449 PolarHBondContact O-N 2.92Å
450R91.1Very high93.5Very high107 Ų10729.1 Ų29.140%0.40413%0.127SC..THydrogen-bonded Turntrans-96.716.4174.5-70.8172.5177.175.42.5113.1A446 L447 H448 I452A446-R450 PolarHBondContact O-NH1 2.92Å; A446-R450 VanDerWaalsContact O-NH1 3.1Å; L447-R450 CarbonylContact O-C 3.59Å; L447-R450 WeakPolarHBondContact O-CA 3.5Å; L447-R450 PolarHBondContact O-N 3.44Å; H448-R450 PolarHBondContact O-N 2.93Å; R450-I452 HydrophobicContact CB-CD1 4.14Å; R450-I452 HydrophobicContact CB-CG1 4.48Å; R450-I452 PolarHBondContact O-N 3Å
451R88.8Confident93.3Very high102 Ų10229.2 Ų29.239%0.38513%0.128SC..THydrogen-bonded Turntrans59.526.6-178.8-58.6-178.6170.2-174.7-13.5113.2L447 H448 L479 L480 D482L447-R451 PolarHBondContact O-N 2.69Å; H448-R451 PolarHBondContact O-N 3.38Å; R451-L479 HydrophobicContact CB-CD1 4.17Å; R451-L479 CarbonylContact O-C 3.48Å; R451-L479 WeakPolarHBondContact O-CA 3.23Å; R451-L480 HydrophobicContact CB-CB 4.21Å; R451-L480 WeakPolarHBondContact O-CB 3.34Å; R451-L480 WeakPolarHBondContact O-CG 3.47Å; R451-L480 PolarHBondContact O-N 3.19Å; R451-D482 IonicContact CZ-OD1 2.75Å; R451-D482 VanDerWaalsContact NH1-CA 3.28Å; R451-D482 PolarHBondContact NH1-O 3.41Å; R451-D482 IonicContact NH1-OD1 3.67Å; R451-D482 PolarHBondContact NH1-OD1 2.89Å; R451-D482 PolarHBondContact NH2-O 3.46Å
452I91.1Very high93.2Very high5 Ų529.2 Ų29.23%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-100.5136175.5-62.7161.9000109.2M372 L376 L447 H448 R450 R478 L479M372-I452 HydrophobicContact CE-CG2 4.4Å; M372-I452 HydrophobicContact CG-CD1 3.8Å; M372-I452 HydrophobicContact SD-CB 4.47Å; M372-I452 HydrophobicContact SD-CD1 3.75Å; M372-I452 HydrophobicContact SD-CG1 3.93Å; M372-I452 HydrophobicContact SD-CG2 3.67Å; L376-I452 HydrophobicContact CD1-CD1 4.03Å; L376-I452 HydrophobicContact CD2-CD1 4.13Å; L376-I452 HydrophobicContact CG-CD1 4.3Å; L447-I452 CarbonylContact C-O 3.53Å; L447-I452 VanDerWaalsContact C-O 3.31Å; L447-I452 HydrophobicContact CB-CB 4.12Å; L447-I452 HydrophobicContact CB-CG2 4.28Å; L447-I452 HydrophobicContact CD2-CB 4.28Å; L447-I452 HydrophobicContact CD2-CD1 4.48Å; L447-I452 HydrophobicContact CD2-CG2 3.98Å; L447-I452 PolarHBondContact O-N 3.26Å; H448-I452 PolarHBondContact CD2-O 2.97Å; H448-I452 VanDerWaalsContact CD2-O 3.25Å; H448-I452 PolarHBondContact N-O 3.19Å; R450-I452 HydrophobicContact CB-CD1 4.14Å; R450-I452 HydrophobicContact CB-CG1 4.48Å; R450-I452 PolarHBondContact O-N 3Å; I452-R478 CarbonylContact C-O 3.4Å; I452-R478 VanDerWaalsContact CA-O 3.31Å; I452-R478 WeakPolarHBondContact CA-O 3.42Å; I452-L479 HydrophobicContact CG1-CD1 4.27Å
453V90.2Very high92.9Very high0 Ų024.7 Ų24.70%011%0.112CC..EExtended strand (participates in β ladder)trans-115.6135.9171.7-1670000108.8L455 S477 R478 L480 G537 R538 D541V453-L455 HydrophobicContact CB-CD2 4.43Å; V453-L455 HydrophobicContact CB-CG 4.33Å; V453-L455 HydrophobicContact CG1-CD2 3.52Å; V453-L455 HydrophobicContact CG1-CG 3.84Å; V453-S477 CarbonylContact O-C 3.58Å; V453-S477 WeakPolarHBondContact O-CA 3.43Å; V453-S477 WeakPolarHBondContact O-CB 3.16Å; V453-R478 PolarHBondContact N-O 2.68Å; V453-R478 PolarHBondContact O-N 2.84Å; V453-L480 HydrophobicContact CG2-CD1 3.76Å; V453-L480 HydrophobicContact CG2-CD2 3.6Å; V453-L480 HydrophobicContact CG2-CG 3.67Å; V453-G537 WeakPolarHBondContact CG1-O 3.39Å; V453-R538 HydrophobicContact CG2-CG 4.02Å; V453-D541 WeakPolarHBondContact CG1-OD2 3.39Å
454H91.3Very high92.3Very high1 Ų124.7 Ų24.71%0.00511%0.112CC..  trans-81.9-47-172.1-171.9-75.3000113.4L447 D456 L457 D473 S477 D541L447-H454 HydrophobicContact CD1-CB 3.98Å; H454-D456 PolarHBondContact CE1-O 3.41Å; H454-D456 VanDerWaalsContact CE1-O 3.32Å; H454-D456 VanDerWaalsContact ND1-C 3.31Å; H454-D456 PolarHBondContact ND1-N 2.9Å; H454-D456 PolarHBondContact O-N 3.23Å; H454-L457 HydrophobicContact CB-CD1 4.4Å; H454-L457 HydrophobicContact CB-CD2 3.78Å; H454-L457 HydrophobicContact CB-CG 3.82Å; H454-L457 PolarHBondContact ND1-N 3.45Å; H454-D473 PolarHBondContact NE2-O 2.8Å; H454-S477 WeakPolarHBondContact CA-OG 3.3Å; H454-S477 PolarHBondContact O-OG 2.77Å; H454-D541 PolarHBondContact N-OD1 2.95Å; H454-D541 PolarHBondContact N-OD2 3.1Å
455L89.8Confident91.4Very high6 Ų624.8 Ų24.83%0.03111%0.113CC..SBendtrans67.2-14.9176.2-57.6178.5000118.3V453 I476 Q503 V536 D541V453-L455 HydrophobicContact CB-CD2 4.43Å; V453-L455 HydrophobicContact CB-CG 4.33Å; V453-L455 HydrophobicContact CG1-CD2 3.52Å; V453-L455 HydrophobicContact CG1-CG 3.84Å; L455-I476 HydrophobicContact CB-CD1 4.05Å; L455-Q503 PolarHBondContact O-NE2 3.1Å; L455-V536 HydrophobicContact CD1-CG1 4.19Å; L455-V536 HydrophobicContact CD2-CG1 3.48Å; L455-V536 VanDerWaalsContact CD2-CG1 3.48Å; L455-V536 HydrophobicContact CG-CG1 4.49Å; L455-D541 PolarHBondContact N-OD1 2.95Å
456D88.7Confident90.2Very high21 Ų2125.5 Ų25.511%0.11212%0.115CC..  trans-123.846.8170-169.642.8000112.2H454 K458 N461 I476 G494 T495H454-D456 PolarHBondContact CE1-O 3.41Å; H454-D456 VanDerWaalsContact CE1-O 3.32Å; H454-D456 VanDerWaalsContact ND1-C 3.31Å; H454-D456 PolarHBondContact ND1-N 2.9Å; H454-D456 PolarHBondContact O-N 3.23Å; D456-K458 PolarHBondContact O-N 2.85Å; D456-K458 IonicContact OD1-NZ 2.8Å; D456-K458 IonicContact OD2-NZ 2.9Å; D456-K458 PolarHBondContact OD2-NZ 3.45Å; D456-N461 PolarHBondContact O-OD1 3.29Å; D456-I476 HydrophobicContact CB-CD1 3.6Å; D456-I476 HydrophobicContact CB-CG1 3.91Å; D456-G494 VanDerWaalsContact OD1-CA 3.3Å; D456-G494 WeakPolarHBondContact OD1-CA 3.47Å; D456-T495 PolarHBondContact OD1-N 3.25Å
457L94.4Very high88.9Confident1 Ų125.2 Ų25.21%0.00511%0.113CC..  trans-71.6123.6177.2-68.6175.1000110.8V444 H454 F462 L471 F498 D541 L545V444-L457 HydrophobicContact CG2-CD1 3.54Å; V444-L457 HydrophobicContact CG2-CD2 4.35Å; H454-L457 HydrophobicContact CB-CD1 4.4Å; H454-L457 HydrophobicContact CB-CD2 3.78Å; H454-L457 HydrophobicContact CB-CG 3.82Å; H454-L457 PolarHBondContact ND1-N 3.45Å; L457-F462 HydrophobicContact CD2-CE2 4.15Å; L457-F462 HydrophobicContact CD2-CZ 3.94Å; L457-L471 HydrophobicContact CD2-CD1 4.27Å; L457-L471 HydrophobicContact CD2-CD2 3.57Å; L457-F498 WeakPolarHBondContact O-CB 3.37Å; L457-D541 HydrophobicContact CD1-CB 3.57Å; L457-L545 HydrophobicContact CD1-CD2 4.18Å; L457-L545 HydrophobicContact CD1-CG 4.11Å
458K93.4Very high88.2Confident30 Ų3028.7 Ų28.713%0.1313%0.129CC..  trans-146.6164.217351.9-178.1-177.4-125.50108.8D456 Q460 N461 F462 T495 F498D456-K458 PolarHBondContact O-N 2.85Å; D456-K458 IonicContact OD1-NZ 2.8Å; D456-K458 IonicContact OD2-NZ 2.9Å; D456-K458 PolarHBondContact OD2-NZ 3.45Å; K458-Q460 PolarHBondContact O-N 2.94Å; K458-N461 WeakPolarHBondContact CE-OD1 3.47Å; K458-N461 WeakPolarHBondContact CG-OD1 3.25Å; K458-N461 PolarHBondContact O-N 2.85Å; K458-F462 WeakPolarHBondContact O-CD2 2.88Å; K458-T495 VanDerWaalsContact CD-OG1 3.26Å; K458-T495 WeakPolarHBondContact CD-OG1 3.37Å; K458-F498 HydrophobicContact CB-CD1 4.47Å; K458-F498 HydrophobicContact CB-CD2 3.84Å; K458-F498 HydrophobicContact CB-CE2 3.98Å; K458-F498 HydrophobicContact CB-CG 4.11Å; K458-F498 HydrophobicContact CB-CZ 4.38Å
459P93.5Very high88Confident1 Ų128.4 Ų28.41%0.00613%0.128CC..G310 helixtrans-57.6-28-175.5-24.233.6000113.8L406 K407 I410 N461 F462 F498 I548 M551L406-P459 HydrophobicContact CB-CB 4.44Å; L406-P459 WeakPolarHBondContact CB-O 3.19Å; L406-P459 PolarHBondContact N-O 2.82Å; K407-P459 HydrophobicContact CB-CB 3.82Å; K407-P459 PolarHBondContact N-O 3.43Å; I410-P459 HydrophobicContact CD1-CB 4.26Å; I410-P459 HydrophobicContact CD1-CG 4.39Å; P459-N461 VanDerWaalsContact C-N 3.3Å; P459-N461 PolarHBondContact O-N 2.97Å; P459-F462 PolarHBondContact O-N 3.31Å; P459-F498 VanDerWaalsContact CD-CZ 3.48Å; P459-F498 HydrophobicContact CG-CE1 4.15Å; P459-F498 HydrophobicContact CG-CZ 4.13Å; P459-I548 HydrophobicContact CG-CD1 4.5Å; P459-I548 HydrophobicContact CG-CG1 3.96Å; P459-I548 HydrophobicContact CG-CG2 4.09Å; P459-M551 HydrophobicContact CG-CE 4.32Å; P459-M551 HydrophobicContact CG-SD 4.11Å
460Q91.6Very high88Confident56 Ų5624.9 Ų24.926%0.26211%0.108SC..G310 helixtrans-69.4-22.5177-61.193.6-47.600114K407 K458 F462K407-Q460 HydrophobicContact CB-CG 4.04Å; K407-Q460 HydrophobicContact CD-CG 3.78Å; K458-Q460 PolarHBondContact O-N 2.94Å; Q460-F462 VanDerWaalsContact C-N 3.28Å
461N93.3Very high88.2Confident2 Ų219.8 Ų19.81%0.0119%0.089CC..G310 helixtrans-78.8-13.8177-67.6102.4000113D456 K458 P459 L471 I472 D473D456-N461 PolarHBondContact O-OD1 3.29Å; K458-N461 WeakPolarHBondContact CE-OD1 3.47Å; K458-N461 WeakPolarHBondContact CG-OD1 3.25Å; K458-N461 PolarHBondContact O-N 2.85Å; P459-N461 VanDerWaalsContact C-N 3.3Å; P459-N461 PolarHBondContact O-N 2.97Å; N461-L471 HydrophobicContact CB-CD2 4.2Å; N461-L471 CarbonylContact O-C 3.51Å; N461-L471 WeakPolarHBondContact O-CA 3.21Å; N461-I472 HydrophobicContact CB-CG1 4.5Å; N461-I472 PolarHBondContact ND2-O 2.84Å; N461-I472 VanDerWaalsContact ND2-O 3.12Å; N461-I472 WeakPolarHBondContact O-CG1 3.42Å; N461-I472 PolarHBondContact O-N 3.47Å; N461-D473 WeakPolarHBondContact ND2-CB 3.32Å
462F95.6Very high88.4Confident0 Ų017.3 Ų17.30%08%0.083CC..EExtended strand (participates in β ladder)trans-96.9109.8175.3-65.4-87.5000108.7D405 L406 M440 C443 L457 K458 P459 Q460 L469 L471 L545 I548D405-F462 CarbonylContact C-O 3.56Å; D405-F462 VanDerWaalsContact CA-O 3.31Å; D405-F462 WeakPolarHBondContact CA-O 3.36Å; L406-F462 HydrophobicContact CB-CB 3.77Å; L406-F462 HydrophobicContact CD2-CB 4.1Å; L406-F462 HydrophobicContact CD2-CD2 4.31Å; L406-F462 HydrophobicContact CD2-CG 4.29Å; L406-F462 PolarHBondContact N-O 3.18Å; M440-F462 HydrophobicContact CB-CD1 4.47Å; M440-F462 HydrophobicContact CB-CE1 3.91Å; M440-F462 HydrophobicContact CB-CZ 4.21Å; M440-F462 HydrophobicContact CG-CD1 3.91Å; M440-F462 HydrophobicContact CG-CE1 3.78Å; M440-F462 HydrophobicContact CG-CE2 4.48Å; M440-F462 HydrophobicContact CG-CG 4.3Å; M440-F462 HydrophobicContact CG-CZ 4.08Å; C443-F462 HydrophobicContact CB-CE1 4.03Å; L457-F462 HydrophobicContact CD2-CE2 4.15Å; L457-F462 HydrophobicContact CD2-CZ 3.94Å; K458-F462 WeakPolarHBondContact O-CD2 2.88Å; P459-F462 PolarHBondContact O-N 3.31Å; Q460-F462 VanDerWaalsContact C-N 3.28Å; F462-L469 HydrophobicContact CB-CD1 4.32Å; F462-L469 HydrophobicContact CB-CD2 4.25Å; F462-L469 HydrophobicContact CD1-CD1 4.26Å; F462-L471 HydrophobicContact CD1-CD2 3.76Å; F462-L471 HydrophobicContact CD1-CG 4.22Å; F462-L471 HydrophobicContact CD2-CD2 4.32Å; F462-L471 HydrophobicContact CE1-CD1 4.48Å; F462-L471 HydrophobicContact CE1-CD2 3.5Å; F462-L471 VanDerWaalsContact CE1-CD2 3.5Å; F462-L471 HydrophobicContact CE1-CG 3.94Å; F462-L471 HydrophobicContact CE2-CD2 4.08Å; F462-L471 HydrophobicContact CG-CD2 4.18Å; F462-L471 HydrophobicContact CZ-CD2 3.67Å; F462-L545 HydrophobicContact CE2-CD2 4.39Å; F462-L545 HydrophobicContact CZ-CD2 3.76Å; F462-I548 HydrophobicContact CD2-CD1 4.27Å; F462-I548 HydrophobicContact CE2-CD1 3.7Å
463V90.4Very high88Confident18 Ų1820.1 Ų20.111%0.10910%0.098CC..EExtended strand (participates in β ladder)trans-109.1133.1-178.8170.80000109.4G402 D405 V465 K470 I472G402-V463 VanDerWaalsContact CA-CG1 3.44Å; D405-V463 HydrophobicContact CB-CG2 4.38Å; V463-V465 HydrophobicContact CG1-CG2 4.24Å; V463-K470 PolarHBondContact N-O 2.95Å; V463-K470 PolarHBondContact O-N 3.48Å; V463-I472 HydrophobicContact CB-CG2 4Å; V463-I472 HydrophobicContact CG2-CB 4.49Å; V463-I472 HydrophobicContact CG2-CD1 3.68Å; V463-I472 HydrophobicContact CG2-CG1 3.88Å; V463-I472 HydrophobicContact CG2-CG2 3.76Å
464L83Confident87.6Confident0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-77.2126.1172.5-83.8166.6000110G402 D403 C404 V409 Y436 Q468 L469G402-L464 CarbonylContact C-O 3.57Å; G402-L464 VanDerWaalsContact CA-O 3.23Å; G402-L464 WeakPolarHBondContact CA-O 3.37Å; D403-L464 PolarHBondContact N-O 3.05Å; C404-L464 PolarHBondContact O-N 3.41Å; V409-L464 HydrophobicContact CG2-CD1 3.51Å; Y436-L464 HydrophobicContact CE1-CD1 4.16Å; Y436-L464 HydrophobicContact CE1-CD2 4.1Å; Y436-L464 HydrophobicContact CE1-CG 4.46Å; L464-Q468 WeakPolarHBondContact CA-O 3.3Å; L464-L469 HydrophobicContact CD2-CD2 3.78Å; L464-L469 HydrophobicContact CD2-CG 4.47Å; L464-L469 HydrophobicContact CG-CD2 3.74Å
465V79.6Confident86.4Confident2 Ų221.2 Ų21.21%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-130.4110170.9-166.50000108.4I383 E400 V463 G467 Q468 K470I383-V465 HydrophobicContact CD1-CG2 3.97Å; E400-V465 HydrophobicContact CG-CG1 3.81Å; E400-V465 HydrophobicContact CG-CG2 4.44Å; E400-V465 WeakPolarHBondContact OE1-CG1 3.25Å; V463-V465 HydrophobicContact CG1-CG2 4.24Å; V465-G467 PolarHBondContact O-N 3.16Å; V465-G467 VanDerWaalsContact O-N 3.11Å; V465-Q468 PolarHBondContact N-O 3.3Å; V465-Q468 PolarHBondContact O-N 3.38Å; V465-Q468 VanDerWaalsContact O-N 3.1Å; V465-K470 HydrophobicContact CB-CD 4.24Å; V465-K470 HydrophobicContact CG2-CB 4.46Å; V465-K470 HydrophobicContact CG2-CD 3.98Å; V465-K470 HydrophobicContact CG2-CG 4.24Å
466Y71.2Confident85.1Confident71 Ų7122.9 Ų22.928%0.27812%0.117SC..THydrogen-bonded Turntrans48.940.3-177.7-50.1-68.1000113.4W68 N102 R105 D403 Q468W68-Y466 PolarHBondContact NE1-O 2.93Å; N102-Y466 WeakPolarHBondContact OD1-CA 3.3Å; R105-Y466 PolarHBondContact NE-OH 3.41Å; R105-Y466 VanDerWaalsContact NE-OH 3.1Å; R105-Y466 PolarHBondContact NH2-OH 3.04Å; D403-Y466 PolarHBondContact OD2-N 3.02Å; Y466-Q468 VanDerWaalsContact C-N 3.31Å; Y466-Q468 PolarHBondContact O-N 3.39Å
467G67.8Low84Confident6 Ų622.7 Ų22.76%0.06212%0.117CC..THydrogen-bonded Turntrans90.8-5.6171.400000113.8N102 Q439 V465N102-G467 VanDerWaalsContact CG-N 3.34Å; N102-G467 WeakPolarHBondContact OD1-CA 3.46Å; N102-G467 PolarHBondContact OD1-N 2.97Å; Q439-G467 PolarHBondContact NE2-O 3.05Å; V465-G467 PolarHBondContact O-N 3.16Å; V465-G467 VanDerWaalsContact O-N 3.11Å
468Q80.1Confident82.8Confident73 Ų7324.5 Ų24.534%0.34112%0.124SC..EExtended strand (participates in β ladder)trans-101.3134.3176.2-63.8-177-11.300110.4Q439 L464 V465 Y466Q439-Q468 VanDerWaalsContact OE1-CA 3.26Å; L464-Q468 WeakPolarHBondContact CA-O 3.3Å; V465-Q468 PolarHBondContact N-O 3.3Å; V465-Q468 PolarHBondContact O-N 3.38Å; V465-Q468 VanDerWaalsContact O-N 3.1Å; Y466-Q468 VanDerWaalsContact C-N 3.31Å; Y466-Q468 PolarHBondContact O-N 3.39Å
469L89.6Confident81.6Confident0 Ų028.9 Ų28.90%015%0.148CC..EExtended strand (participates in β ladder)trans-72.7133.5166.2-68.1-174.5000109.6L406 Y436 Q439 M440 C443 F462 L464L406-L469 HydrophobicContact CD2-CD1 4.42Å; Y436-L469 HydrophobicContact CD1-CD1 3.98Å; Y436-L469 HydrophobicContact CD1-CD2 4.17Å; Y436-L469 HydrophobicContact CD1-CG 4.11Å; Y436-L469 HydrophobicContact CE1-CD2 4.4Å; Q439-L469 HydrophobicContact CB-CB 4.06Å; Q439-L469 HydrophobicContact CB-CD1 3.92Å; Q439-L469 HydrophobicContact CB-CG 4.07Å; M440-L469 HydrophobicContact CG-CD1 3.73Å; C443-L469 PolarHBondContact SG-O 3.04Å; F462-L469 HydrophobicContact CB-CD1 4.32Å; F462-L469 HydrophobicContact CB-CD2 4.25Å; F462-L469 HydrophobicContact CD1-CD1 4.26Å; L464-L469 HydrophobicContact CD2-CD2 3.78Å; L464-L469 HydrophobicContact CD2-CG 4.47Å; L464-L469 HydrophobicContact CG-CD2 3.74Å
470K93.3Very high80.2Confident21 Ų2129 Ų299%0.09115%0.149CC..EExtended strand (participates in β ladder)trans-127141.7169.7-58.5-167.9-178.7-173.50109.9D380 R381 I383 E400 V463 V465D380-K470 VanDerWaalsContact O-CE 3.25Å; D380-K470 WeakPolarHBondContact O-CE 3.47Å; R381-K470 CarbonylContact O-C 3.57Å; R381-K470 VanDerWaalsContact O-CA 3.3Å; R381-K470 WeakPolarHBondContact O-CA 3.37Å; I383-K470 HydrophobicContact CD1-CD 4.48Å; E400-K470 IonicContact OE1-NZ 3.89Å; E400-K470 PolarHBondContact OE1-NZ 3.1Å; E400-K470 WeakPolarHBondContact OE2-CD 3.4Å; E400-K470 IonicContact OE2-NZ 3.62Å; E400-K470 PolarHBondContact OE2-NZ 3.23Å; V463-K470 PolarHBondContact N-O 2.95Å; V463-K470 PolarHBondContact O-N 3.48Å; V465-K470 HydrophobicContact CB-CD 4.24Å; V465-K470 HydrophobicContact CG2-CB 4.46Å; V465-K470 HydrophobicContact CG2-CD 3.98Å; V465-K470 HydrophobicContact CG2-CG 4.24Å
471L96.3Very high79Confident0 Ų029.7 Ų29.70%016%0.159CC..EExtended strand (participates in β ladder)trans-77.7136.2172.3-79.7168.2000111.1R381 I382 I383 C443 V444 L447 L457 N461 F462R381-L471 PolarHBondContact O-N 2.99Å; I382-L471 HydrophobicContact CD1-CB 3.89Å; I382-L471 HydrophobicContact CD1-CD1 4.21Å; I383-L471 PolarHBondContact N-O 3.23Å; C443-L471 HydrophobicContact CB-CD1 3.62Å; C443-L471 HydrophobicContact CB-CG 3.74Å; V444-L471 HydrophobicContact CG2-CD1 4.46Å; L447-L471 HydrophobicContact CD1-CD1 3.67Å; L447-L471 HydrophobicContact CG-CD1 4.33Å; L457-L471 HydrophobicContact CD2-CD1 4.27Å; L457-L471 HydrophobicContact CD2-CD2 3.57Å; N461-L471 HydrophobicContact CB-CD2 4.2Å; N461-L471 CarbonylContact O-C 3.51Å; N461-L471 WeakPolarHBondContact O-CA 3.21Å; F462-L471 HydrophobicContact CD1-CD2 3.76Å; F462-L471 HydrophobicContact CD1-CG 4.22Å; F462-L471 HydrophobicContact CD2-CD2 4.32Å; F462-L471 HydrophobicContact CE1-CD1 4.48Å; F462-L471 HydrophobicContact CE1-CD2 3.5Å; F462-L471 VanDerWaalsContact CE1-CD2 3.5Å; F462-L471 HydrophobicContact CE1-CG 3.94Å; F462-L471 HydrophobicContact CE2-CD2 4.08Å; F462-L471 HydrophobicContact CG-CD2 4.18Å; F462-L471 HydrophobicContact CZ-CD2 3.67Å
472I92.5Very high77.3Confident50 Ų5035.4 Ų35.426%0.25619%0.189SC..  trans-116.2164.4169.864.5158.6000110.3I383 N461 V463I383-I472 HydrophobicContact CB-CG2 3.76Å; I383-I472 HydrophobicContact CD1-CG2 4.3Å; I383-I472 HydrophobicContact CG1-CG2 3.99Å; I383-I472 HydrophobicContact CG2-CB 4.36Å; I383-I472 HydrophobicContact CG2-CG2 3.93Å; N461-I472 HydrophobicContact CB-CG1 4.5Å; N461-I472 PolarHBondContact ND2-O 2.84Å; N461-I472 VanDerWaalsContact ND2-O 3.12Å; N461-I472 WeakPolarHBondContact O-CG1 3.42Å; N461-I472 PolarHBondContact O-N 3.47Å; V463-I472 HydrophobicContact CB-CG2 4Å; V463-I472 HydrophobicContact CG2-CB 4.49Å; V463-I472 HydrophobicContact CG2-CD1 3.68Å; V463-I472 HydrophobicContact CG2-CG1 3.88Å; V463-I472 HydrophobicContact CG2-CG2 3.76Å
473D83.1Confident75.9Confident64 Ų6443.6 Ų43.634%0.34223%0.233SC..  trans61.683168.6-177.321.8000113.6H454 N461 G475H454-D473 PolarHBondContact NE2-O 2.8Å; N461-D473 WeakPolarHBondContact ND2-CB 3.32Å; D473-G475 VanDerWaalsContact C-N 3.29Å; D473-G475 PolarHBondContact OD1-N 3.04Å
474L80.2Confident74.3Confident2 Ų244.2 Ų44.21%0.0124%0.238CC..  trans-92.818.6179.3-69.6-178.6000112.6E369 M372 L373 L376 I382 L447 I476 S477E369-L474 HydrophobicContact CG-CB 4.21Å; M372-L474 HydrophobicContact CE-CB 3.49Å; M372-L474 VanDerWaalsContact CE-CB 3.49Å; M372-L474 HydrophobicContact CE-CD1 3.8Å; M372-L474 HydrophobicContact CE-CD2 4.37Å; M372-L474 HydrophobicContact CE-CG 4.08Å; M372-L474 HydrophobicContact CG-CD1 4.01Å; L373-L474 HydrophobicContact CD2-CD1 3.75Å; L373-L474 HydrophobicContact CD2-CG 4.4Å; L373-L474 HydrophobicContact CG-CD1 4.2Å; L376-L474 HydrophobicContact CD1-CD1 3.65Å; I382-L474 HydrophobicContact CG2-CD1 4.39Å; L447-L474 HydrophobicContact CD1-CD2 4.24Å; L447-L474 HydrophobicContact CD2-CD2 4.3Å; L474-I476 PolarHBondContact O-N 3.3Å; L474-I476 VanDerWaalsContact O-N 3.08Å; L474-S477 WeakPolarHBondContact CA-OG 3.45Å; L474-S477 WeakPolarHBondContact CD2-OG 3.4Å; L474-S477 WeakPolarHBondContact O-CB 3.37Å; L474-S477 PolarHBondContact O-N 2.96Å; L474-S477 PolarHBondContact O-OG 2.83Å
475G66.8Low73.2Confident22 Ų2248.5 Ų48.523%0.22726%0.264CS..THydrogen-bonded Turntrans-62.8-20.9-165.200000116.1D473D473-G475 VanDerWaalsContact C-N 3.29Å; D473-G475 PolarHBondContact OD1-N 3.04Å
476I63.5Low71.8Confident41 Ų4149.4 Ų49.421%0.2127%0.27CS..THydrogen-bonded Turntrans-117.73.8172.970.4159.4000113.8L455 D456 L474 K492L455-I476 HydrophobicContact CB-CD1 4.05Å; D456-I476 HydrophobicContact CB-CD1 3.6Å; D456-I476 HydrophobicContact CB-CG1 3.91Å; L474-I476 PolarHBondContact O-N 3.3Å; L474-I476 VanDerWaalsContact O-N 3.08Å; I476-K492 HydrophobicContact CG2-CB 4.03Å; I476-K492 HydrophobicContact CG2-CD 4.17Å
477S65.8Low70.9Confident16 Ų1646.8 Ų46.811%0.11226%0.261CS..  trans-67.3153-179.4-59.70000110.7V453 H454 L474V453-S477 CarbonylContact O-C 3.58Å; V453-S477 WeakPolarHBondContact O-CA 3.43Å; V453-S477 WeakPolarHBondContact O-CB 3.16Å; H454-S477 WeakPolarHBondContact CA-OG 3.3Å; H454-S477 PolarHBondContact O-OG 2.77Å; L474-S477 WeakPolarHBondContact CA-OG 3.45Å; L474-S477 WeakPolarHBondContact CD2-OG 3.4Å; L474-S477 WeakPolarHBondContact O-CB 3.37Å; L474-S477 PolarHBondContact O-N 2.96Å; L474-S477 PolarHBondContact O-OG 2.83Å
478R67.6Low69.9Low40 Ų4053.6 Ų53.615%0.15130%0.296CS..EExtended strand (participates in β ladder)trans-137.8145.8-174.2-82.3131.5160.8-146.991.6113.3I452 V453 V487 N488 H489I452-R478 CarbonylContact C-O 3.4Å; I452-R478 VanDerWaalsContact CA-O 3.31Å; I452-R478 WeakPolarHBondContact CA-O 3.42Å; V453-R478 PolarHBondContact N-O 2.68Å; V453-R478 PolarHBondContact O-N 2.84Å; R478-V487 HydrophobicContact CB-CG1 4.17Å; R478-V487 HydrophobicContact CB-CG2 4.03Å; R478-V487 HydrophobicContact CG-CG1 4.14Å; R478-N488 PolarHBondContact NH1-O 2.91Å; R478-H489 VanDerWaalsContact CZ-CB 3.47Å; R478-H489 VanDerWaalsContact CZ-NE2 3.29Å; R478-H489 PolarHBondContact NE-CD2 2.87Å; R478-H489 VanDerWaalsContact NE-CD2 3.35Å; R478-H489 PolarHBondContact NE-NE2 3.06Å; R478-H489 PolarHBondContact NH1-CD2 3.16Å; R478-H489 PolarHBondContact NH2-CD2 3.42Å; R478-H489 PolarHBondContact NH2-CE1 3.01Å; R478-H489 VanDerWaalsContact NH2-CE1 3.33Å; R478-H489 PolarHBondContact NH2-ND1 3.25Å; R478-H489 PolarHBondContact NH2-NE2 3.08Å
479L68Low68.4Low121 Ų12153.1 Ų53.163%0.63429%0.294SS*.EExtended strand (participates in β ladder)trans-74.4129.4162.7-167.168.6000109.6R451 I452R451-L479 HydrophobicContact CB-CD1 4.17Å; R451-L479 CarbonylContact O-C 3.48Å; R451-L479 WeakPolarHBondContact O-CA 3.23Å; I452-L479 HydrophobicContact CG1-CD1 4.27Å
480L64.2Low66.1Low3 Ų362.8 Ų62.82%0.01633%0.33CS..PPolyproline II helixtrans-74.3137.8171-64167.7000109.9R451 V453 T485 V487 R538R451-L480 HydrophobicContact CB-CB 4.21Å; R451-L480 WeakPolarHBondContact O-CB 3.34Å; R451-L480 WeakPolarHBondContact O-CG 3.47Å; R451-L480 PolarHBondContact O-N 3.19Å; V453-L480 HydrophobicContact CG2-CD1 3.76Å; V453-L480 HydrophobicContact CG2-CD2 3.6Å; V453-L480 HydrophobicContact CG2-CG 3.67Å; L480-T485 VanDerWaalsContact CD2-C 3.45Å; L480-V487 HydrophobicContact CD2-CG2 3.73Å; L480-R538 HydrophobicContact CD1-CG 3.89Å; L480-R538 VanDerWaalsContact CD1-NE 3.29Å
481P66.9Low63.7Low72 Ų7265 Ų6547%0.46834%0.343SS..PPolyproline II helixtrans-49.7150.8163.6-2528.4000112.9D483 S484P481-D483 PolarHBondContact O-N 2.9Å; P481-S484 WeakPolarHBondContact CB-OG 3.19Å; P481-S484 WeakPolarHBondContact CD-OG 3.5Å; P481-S484 VanDerWaalsContact CG-OG 3.31Å; P481-S484 WeakPolarHBondContact CG-OG 3.23Å; P481-S484 PolarHBondContact O-N 2.85Å
482D57.6Low61Low121 Ų12170 Ų7065%0.64737%0.365SS*.THydrogen-bonded Turntrans-59.1-28.8-170.3-73.3-34.5000114.7R451R451-D482 IonicContact CZ-OD1 2.75Å; R451-D482 VanDerWaalsContact NH1-CA 3.28Å; R451-D482 PolarHBondContact NH1-O 3.41Å; R451-D482 IonicContact NH1-OD1 3.67Å; R451-D482 PolarHBondContact NH1-OD1 2.89Å; R451-D482 PolarHBondContact NH2-O 3.46Å
483D66.3Low58.7Low172 Ų17272.9 Ų72.992%0.9238%0.38SS*.THydrogen-bonded Turntrans-111.915.7-179.1-61.4-37.9000113.3P481P481-D483 PolarHBondContact O-N 2.9Å
484S57.3Low57.2Low32 Ų3270.8 Ų70.822%0.22437%0.374CS..  trans-126.2150.2179.689.30000113.5P481 T486P481-S484 WeakPolarHBondContact CB-OG 3.19Å; P481-S484 WeakPolarHBondContact CD-OG 3.5Å; P481-S484 VanDerWaalsContact CG-OG 3.31Å; P481-S484 WeakPolarHBondContact CG-OG 3.23Å; P481-S484 PolarHBondContact O-N 2.85Å; S484-T486 PolarHBondContact OG-N 3.32Å; S484-T486 PolarHBondContact OG-O 3.21Å
485T60.1Low56.6Low89 Ų8973.2 Ų73.255%0.54639%0.389SS..SBendtrans-98.45.8168.452.80000112L480 G537 R538L480-T485 VanDerWaalsContact CD2-C 3.45Å; T485-G537 VanDerWaalsContact O-CA 3.29Å; T485-G537 WeakPolarHBondContact O-CA 3.33Å; T485-R538 PolarHBondContact O-N 2.89Å
486T49.5Very low57.3Low22 Ų2273.9 Ų73.914%0.13539%0.387CS..BIsolated β-bridgetrans-138.9154.4-162.862.20000112.2S484 K535 V536S484-T486 PolarHBondContact OG-N 3.32Å; S484-T486 PolarHBondContact OG-O 3.21Å; T486-K535 HydrophobicContact CG2-CB 3.32Å; T486-K535 HydrophobicContact CG2-CD 3.96Å; T486-K535 HydrophobicContact CG2-CG 3.55Å; T486-V536 CarbonylContact C-O 3.49Å; T486-V536 WeakPolarHBondContact CA-O 3.44Å; T486-V536 WeakPolarHBondContact CB-O 3.4Å
487V53.6Low58.5Low15 Ų1572.9 Ų72.99%0.09138%0.383CS..  trans-121.1142.1-179.3-1550000111.1R478 L480 V536R478-V487 HydrophobicContact CB-CG1 4.17Å; R478-V487 HydrophobicContact CB-CG2 4.03Å; R478-V487 HydrophobicContact CG-CG1 4.14Å; L480-V487 HydrophobicContact CD2-CG2 3.73Å; V487-V536 PolarHBondContact N-O 3.25Å
488N45.7Very low59.7Low150 Ų15072.9 Ų72.980%0.80238%0.382SS*.  trans-83.4129.2171-54.9-24.8000109.2R478R478-N488 PolarHBondContact NH1-O 2.91Å
489H48.7Very low60.8Low63 Ų6371.7 Ų71.729%0.29238%0.378SS..  trans-140.2157.1179.2-152.8-134.6000121.2R478 E506R478-H489 VanDerWaalsContact CZ-CB 3.47Å; R478-H489 VanDerWaalsContact CZ-NE2 3.29Å; R478-H489 PolarHBondContact NE-CD2 2.87Å; R478-H489 VanDerWaalsContact NE-CD2 3.35Å; R478-H489 PolarHBondContact NE-NE2 3.06Å; R478-H489 PolarHBondContact NH1-CD2 3.16Å; R478-H489 PolarHBondContact NH2-CD2 3.42Å; R478-H489 PolarHBondContact NH2-CE1 3.01Å; R478-H489 VanDerWaalsContact NH2-CE1 3.33Å; R478-H489 PolarHBondContact NH2-ND1 3.25Å; R478-H489 PolarHBondContact NH2-NE2 3.08Å; H489-E506 PolarHBondContact N-OE1 3Å
490W41.9Very low62Low202 Ų20265.9 Ų65.977%0.76535%0.348SS*.  trans-119.8115.8165.7-66.872.7000111
491L41.4Very low63.3Low67 Ų6765.9 Ų65.935%0.35135%0.348SS..  trans-36.1128.5-166.8-67.789.5000120.3L493 A507 A510L491-L493 HydrophobicContact CD2-CD1 4.25Å; L491-L493 HydrophobicContact CD2-CD2 3.65Å; L491-L493 HydrophobicContact CD2-CG 3.81Å; L491-A507 HydrophobicContact CD2-CB 3.77Å; L491-A507 HydrophobicContact CG-CB 4.17Å; L491-A510 HydrophobicContact CD1-CB 3.71Å
492K41.1Very low64.4Low106 Ų10662.6 Ų62.646%0.46133%0.326SS..  trans-117.4116.2134.4-86.9-177.5178.1175.70106.6S365 I476 G494S365-K492 PolarHBondContact OG-NZ 3.01Å; I476-K492 HydrophobicContact CG2-CB 4.03Å; I476-K492 HydrophobicContact CG2-CD 4.17Å; K492-G494 PolarHBondContact O-N 3.45Å
493L44.1Very low65.8Low110 Ų11057.6 Ų57.658%0.57630%0.299SS*.  trans-73.8116.4-176.9-71.7167.4000109.9L491 L496 A507L491-L493 HydrophobicContact CD2-CD1 4.25Å; L491-L493 HydrophobicContact CD2-CD2 3.65Å; L491-L493 HydrophobicContact CD2-CG 3.81Å; L493-L496 HydrophobicContact CB-CD2 4.11Å; L493-L496 HydrophobicContact CD2-CD2 3.83Å; L493-L496 HydrophobicContact CG-CD2 4.43Å; L493-A507 HydrophobicContact CD2-CB 4.36Å
494G51.4Low66.7Low21 Ų2150 Ų5022%0.21626%0.258CS..  trans-76.1-158.3175.200000113D456 K492 L496D456-G494 VanDerWaalsContact OD1-CA 3.3Å; D456-G494 WeakPolarHBondContact OD1-CA 3.47Å; K492-G494 PolarHBondContact O-N 3.45Å; G494-L496 PolarHBondContact O-N 3.23Å
495T67.6Low68Low53 Ų5351.5 Ų51.533%0.32526%0.261SS..  trans-75.495.9173.6-55.10000109.9D456 K458 S497 F498D456-T495 PolarHBondContact OD1-N 3.25Å; K458-T495 VanDerWaalsContact CD-OG1 3.26Å; K458-T495 WeakPolarHBondContact CD-OG1 3.37Å; T495-S497 PolarHBondContact O-N 2.82Å; T495-F498 HydrophobicContact CG2-CD2 3.63Å; T495-F498 HydrophobicContact CG2-CE2 3.83Å; T495-F498 PolarHBondContact O-N 3.3Å
496L82.3Confident68.8Low36 Ų3648.6 Ų48.619%0.18824%0.242CC..THydrogen-bonded Turntrans-51-24.6-166.4-55.7174.3000116.2L493 G494 F498 M499 L564 L568L493-L496 HydrophobicContact CB-CD2 4.11Å; L493-L496 HydrophobicContact CD2-CD2 3.83Å; L493-L496 HydrophobicContact CG-CD2 4.43Å; G494-L496 PolarHBondContact O-N 3.23Å; L496-F498 VanDerWaalsContact C-N 3.28Å; L496-F498 PolarHBondContact O-N 3.41Å; L496-M499 HydrophobicContact CD2-SD 3.56Å; L496-M499 VanDerWaalsContact CD2-SD 3.56Å; L496-L564 HydrophobicContact CB-CD1 4.33Å; L496-L564 HydrophobicContact CD1-CD1 3.77Å; L496-L564 HydrophobicContact CD1-CD2 3.74Å; L496-L564 HydrophobicContact CD1-CG 4.23Å; L496-L568 HydrophobicContact CB-CD2 3.79Å; L496-L568 HydrophobicContact CD1-CD1 4.28Å
497S87Confident69.9Low19 Ų1948.2 Ų48.213%0.13324%0.241CC..THydrogen-bonded Turntrans-76.7-13.3-179.5-52.30000113.9T495 R567T495-S497 PolarHBondContact O-N 2.82Å; S497-R567 WeakPolarHBondContact OG-CD 3.32Å
498F92.3Very high70.6Confident17 Ų1747.7 Ų47.78%0.07524%0.238CC..THydrogen-bonded Turntrans-102.9-11.3175.4-60.9-86.8000112.6L457 K458 P459 T495 L496 W543 S544 V547 I548 L557L457-F498 WeakPolarHBondContact O-CB 3.37Å; K458-F498 HydrophobicContact CB-CD1 4.47Å; K458-F498 HydrophobicContact CB-CD2 3.84Å; K458-F498 HydrophobicContact CB-CE2 3.98Å; K458-F498 HydrophobicContact CB-CG 4.11Å; K458-F498 HydrophobicContact CB-CZ 4.38Å; P459-F498 VanDerWaalsContact CD-CZ 3.48Å; P459-F498 HydrophobicContact CG-CE1 4.15Å; P459-F498 HydrophobicContact CG-CZ 4.13Å; T495-F498 HydrophobicContact CG2-CD2 3.63Å; T495-F498 HydrophobicContact CG2-CE2 3.83Å; T495-F498 PolarHBondContact O-N 3.3Å; L496-F498 VanDerWaalsContact C-N 3.28Å; L496-F498 PolarHBondContact O-N 3.41Å; F498-W543 VanDerWaalsContact O-CD1 3.3Å; F498-S544 PolarHBondContact O-OG 3.05Å; F498-S544 VanDerWaalsContact O-OG 3.05Å; F498-V547 HydrophobicContact CD1-CB 3.9Å; F498-V547 HydrophobicContact CD1-CG1 3.39Å; F498-V547 HydrophobicContact CE1-CB 4.44Å; F498-V547 HydrophobicContact CE1-CG1 3.64Å; F498-V547 HydrophobicContact CG-CG1 4.24Å; F498-I548 HydrophobicContact CD1-CG1 3.99Å; F498-I548 HydrophobicContact CE1-CG1 3.9Å; F498-L557 HydrophobicContact CE1-CD2 4.07Å; F498-L557 HydrophobicContact CZ-CD2 3.95Å
499M90.2Very high71.6Confident14 Ų1442.4 Ų42.47%0.06922%0.216CC..  trans-65.3142.7-179.8-70.9-179.368.500111.4L496 Q503 L504 W543L496-M499 HydrophobicContact CD2-SD 3.56Å; L496-M499 VanDerWaalsContact CD2-SD 3.56Å; M499-Q503 HydrophobicContact CB-CB 4.42Å; M499-Q503 HydrophobicContact CE-CB 3.63Å; M499-L504 HydrophobicContact CB-CD2 3.96Å; M499-L504 HydrophobicContact CB-CG 4.03Å; M499-L504 HydrophobicContact CE-CD2 3.9Å; M499-L504 HydrophobicContact SD-CD2 3.88Å; M499-W543 PolarHBondContact O-NE1 3.48Å
500S92.6Very high72.2Confident0 Ų040.6 Ų40.60%021%0.211CC..  trans-74.2157.9175.369.80000112.4E502 Q503 L504 S540S500-E502 VanDerWaalsContact C-N 3.28Å; S500-E502 VanDerWaalsContact CB-CD 3.46Å; S500-E502 WeakPolarHBondContact CB-OE1 3.46Å; S500-E502 WeakPolarHBondContact CB-OE2 3.18Å; S500-E502 PolarHBondContact O-N 3.41Å; S500-E502 PolarHBondContact OG-OE1 2.79Å; S500-E502 PolarHBondContact OG-OE2 2.94Å; S500-Q503 WeakPolarHBondContact O-CB 3.49Å; S500-Q503 PolarHBondContact O-N 3.07Å; S500-Q503 VanDerWaalsContact O-N 3.13Å; S500-Q503 VanDerWaalsContact OG-CG 3.31Å; S500-Q503 WeakPolarHBondContact OG-CG 3.5Å; S500-Q503 PolarHBondContact OG-N 3.13Å; S500-Q503 PolarHBondContact OG-OE1 2.6Å; S500-L504 PolarHBondContact O-N 3.31Å; S500-L504 VanDerWaalsContact O-N 3.14Å; S500-S540 WeakPolarHBondContact OG-CB 3.36Å; S500-S540 PolarHBondContact OG-OG 3.34Å
501P92.1Very high72.7Confident3 Ų333.9 Ų33.92%0.01919%0.192CC..Hα-helixtrans-52.9-45.7176.8-27.535.7000112.3Q503 L504 E505 W543 I571 I572 R598P501-Q503 VanDerWaalsContact C-N 3.31Å; P501-Q503 PolarHBondContact O-N 3.45Å; P501-L504 PolarHBondContact O-N 3.36Å; P501-L504 VanDerWaalsContact O-N 3.1Å; P501-E505 WeakPolarHBondContact O-CG 3.27Å; P501-E505 PolarHBondContact O-N 3.2Å; P501-W543 HydrophobicContact CG-CD2 4.49Å; P501-W543 HydrophobicContact CG-CE3 4.2Å; P501-W543 HydrophobicContact CG-CH2 3.72Å; P501-W543 HydrophobicContact CG-CZ2 4.04Å; P501-W543 HydrophobicContact CG-CZ3 3.81Å; P501-I571 HydrophobicContact CG-CG2 4.04Å; P501-I572 HydrophobicContact CB-CG1 4.43Å; P501-R598 HydrophobicContact CG-CB 4.23Å; P501-R598 HydrophobicContact CG-CG 4Å
502E89.4Confident72.9Confident3 Ų335.3 Ų35.31%0.01421%0.206CC..Hα-helixtrans-66.3-30.8-17968.3-80.6178.400113.1S500 E506 V536 S540 H600 R603S500-E502 VanDerWaalsContact C-N 3.28Å; S500-E502 VanDerWaalsContact CB-CD 3.46Å; S500-E502 WeakPolarHBondContact CB-OE1 3.46Å; S500-E502 WeakPolarHBondContact CB-OE2 3.18Å; S500-E502 PolarHBondContact O-N 3.41Å; S500-E502 PolarHBondContact OG-OE1 2.79Å; S500-E502 PolarHBondContact OG-OE2 2.94Å; E502-E506 WeakPolarHBondContact O-CB 3.35Å; E502-E506 PolarHBondContact O-N 3.07Å; E502-V536 HydrophobicContact CG-CG2 4.12Å; E502-S540 WeakPolarHBondContact OE1-CA 3.33Å; E502-S540 WeakPolarHBondContact OE1-CB 3.41Å; E502-S540 PolarHBondContact OE1-OG 3.35Å; E502-H600 HydrophobicContact CG-CB 4.49Å; E502-R603 IonicContact OE1-CZ 2.75Å; E502-R603 IonicContact OE1-NH1 2.7Å; E502-R603 PolarHBondContact OE1-NH1 3.36Å; E502-R603 IonicContact OE1-NH2 3.95Å; E502-R603 IonicContact OE2-CZ 3.34Å; E502-R603 IonicContact OE2-NH1 3.69Å; E502-R603 PolarHBondContact OE2-NH1 3.33Å; E502-R603 IonicContact OE2-NH2 3.68Å; E502-R603 PolarHBondContact OE2-NH2 3.14Å
503Q86.6Confident73Confident16 Ų1635.1 Ų35.18%0.07522%0.218CC..Hα-helixtrans-68.5-38172.9-73.7177.6-75.900111.9L455 M499 S500 P501 A507 V536L455-Q503 PolarHBondContact O-NE2 3.1Å; M499-Q503 HydrophobicContact CB-CB 4.42Å; M499-Q503 HydrophobicContact CE-CB 3.63Å; S500-Q503 WeakPolarHBondContact O-CB 3.49Å; S500-Q503 PolarHBondContact O-N 3.07Å; S500-Q503 VanDerWaalsContact O-N 3.13Å; S500-Q503 VanDerWaalsContact OG-CG 3.31Å; S500-Q503 WeakPolarHBondContact OG-CG 3.5Å; S500-Q503 PolarHBondContact OG-N 3.13Å; S500-Q503 PolarHBondContact OG-OE1 2.6Å; P501-Q503 VanDerWaalsContact C-N 3.31Å; P501-Q503 PolarHBondContact O-N 3.45Å; Q503-A507 VanDerWaalsContact O-CB 3.23Å; Q503-A507 WeakPolarHBondContact O-CB 3.34Å; Q503-A507 PolarHBondContact O-N 3.47Å; Q503-A507 VanDerWaalsContact O-N 3.08Å; Q503-V536 HydrophobicContact CB-CG2 4.29Å; Q503-V536 HydrophobicContact CG-CB 4.41Å; Q503-V536 HydrophobicContact CG-CG1 3.72Å; Q503-V536 HydrophobicContact CG-CG2 3.76Å
504L86.2Confident72.7Confident11 Ų1135 Ų356%0.05823%0.226CC..Hα-helixtrans-74-38.2178.8-65.8175.1000111.8M499 S500 P501 A507 A508 L568 I571 I572M499-L504 HydrophobicContact CB-CD2 3.96Å; M499-L504 HydrophobicContact CB-CG 4.03Å; M499-L504 HydrophobicContact CE-CD2 3.9Å; M499-L504 HydrophobicContact SD-CD2 3.88Å; S500-L504 PolarHBondContact O-N 3.31Å; S500-L504 VanDerWaalsContact O-N 3.14Å; P501-L504 PolarHBondContact O-N 3.36Å; P501-L504 VanDerWaalsContact O-N 3.1Å; L504-A507 PolarHBondContact O-N 3.09Å; L504-A508 WeakPolarHBondContact O-CB 3.46Å; L504-A508 PolarHBondContact O-N 3.05Å; L504-L568 HydrophobicContact CD1-CD2 4.15Å; L504-L568 HydrophobicContact CD2-CD2 4.19Å; L504-I571 HydrophobicContact CD1-CB 4Å; L504-I571 HydrophobicContact CD1-CD1 4.09Å; L504-I571 HydrophobicContact CD1-CG2 3.62Å; L504-I572 HydrophobicContact CB-CD1 3.52Å; L504-I572 HydrophobicContact CB-CG1 4.02Å; L504-I572 HydrophobicContact CD1-CD1 4.25Å; L504-I572 HydrophobicContact CD1-CG1 4.17Å
505E84.5Confident72.1Confident64 Ų6439.5 Ų39.530%0.29925%0.254SS..Hα-helixtrans-63.8-45.5175.1-72.4170.3178.800111.6P501 A508 A509 F534 I572P501-E505 WeakPolarHBondContact O-CG 3.27Å; P501-E505 PolarHBondContact O-N 3.2Å; E505-A508 PolarHBondContact O-N 3.21Å; E505-A509 PolarHBondContact O-N 2.99Å; E505-F534 HydrophobicContact CB-CE1 4.4Å; E505-I572 HydrophobicContact CG-CD1 4.15Å; E505-I572 HydrophobicContact CG-CG1 4.38Å; E505-I572 HydrophobicContact CG-CG2 3.93Å; E505-I572 WeakPolarHBondContact OE1-CG2 3.4Å
506E76Confident70.7Confident28 Ų2843.2 Ų43.213%0.13128%0.282CS..Hα-helixtrans-63.3-44.2174.9-171.1-176.4-169.700111.2H489 E502 A508 A509 A510 F534 V536H489-E506 PolarHBondContact N-OE1 3Å; E502-E506 WeakPolarHBondContact O-CB 3.35Å; E502-E506 PolarHBondContact O-N 3.07Å; E506-A508 VanDerWaalsContact C-N 3.27Å; E506-A508 PolarHBondContact O-N 3.19Å; E506-A509 PolarHBondContact O-N 3.36Å; E506-A509 VanDerWaalsContact O-N 3.09Å; E506-A510 WeakPolarHBondContact O-CB 3.47Å; E506-A510 PolarHBondContact O-N 3.44Å; E506-F534 HydrophobicContact CB-CB 4.38Å; E506-F534 HydrophobicContact CB-CD1 3.82Å; E506-F534 HydrophobicContact CB-CG 4.46Å; E506-F534 HydrophobicContact CG-CB 4.21Å; E506-F534 HydrophobicContact CG-CD1 4.25Å; E506-F534 HydrophobicContact CG-CG 4.46Å; E506-V536 HydrophobicContact CB-CG2 4.46Å; E506-V536 WeakPolarHBondContact OE2-CG2 3.32Å
507A72.9Confident68.9Low15 Ų1544.2 Ų44.212%0.12430%0.302CS..Hα-helixtrans-58.5-38.4177.100000112.5L491 L493 Q503 L504L491-A507 HydrophobicContact CD2-CB 3.77Å; L491-A507 HydrophobicContact CG-CB 4.17Å; L493-A507 HydrophobicContact CD2-CB 4.36Å; Q503-A507 VanDerWaalsContact O-CB 3.23Å; Q503-A507 WeakPolarHBondContact O-CB 3.34Å; Q503-A507 PolarHBondContact O-N 3.47Å; Q503-A507 VanDerWaalsContact O-N 3.08Å; L504-A507 PolarHBondContact O-N 3.09Å
508A68.6Low66.8Low4 Ų446.8 Ų46.83%0.03331%0.314CS..Hα-helixtrans-72.8-31.3175.800000113.1L504 E505 E506 T511 F523L504-A508 WeakPolarHBondContact O-CB 3.46Å; L504-A508 PolarHBondContact O-N 3.05Å; E505-A508 PolarHBondContact O-N 3.21Å; E506-A508 VanDerWaalsContact C-N 3.27Å; E506-A508 PolarHBondContact O-N 3.19Å; A508-T511 PolarHBondContact O-OG1 3.16Å; A508-F523 HydrophobicContact CB-CB 4.06Å; A508-F523 HydrophobicContact CB-CD1 4.14Å; A508-F523 HydrophobicContact CB-CD2 3.47Å; A508-F523 VanDerWaalsContact CB-CD2 3.47Å; A508-F523 HydrophobicContact CB-CE2 3.9Å; A508-F523 HydrophobicContact CB-CG 3.6Å; A508-F523 HydrophobicContact CB-CZ 4.4Å
509A67.6Low64.3Low39 Ų3951.6 Ų51.632%0.32234%0.34SS..Hα-helixtrans-73.4-36.3176.400000112.4E505 E506 T511 F534E505-A509 PolarHBondContact O-N 2.99Å; E506-A509 PolarHBondContact O-N 3.36Å; E506-A509 VanDerWaalsContact O-N 3.09Å; A509-T511 VanDerWaalsContact C-N 3.33Å; A509-T511 PolarHBondContact O-N 3.45Å; A509-F534 HydrophobicContact CB-CE1 3.9Å; A509-F534 HydrophobicContact CB-CZ 3.83Å
510A61.2Low62Low24 Ų2454.8 Ų54.820%0.19836%0.355CS..SBendtrans-78.7-5-175.800000115L491 E506 P512L491-A510 HydrophobicContact CD1-CB 3.71Å; E506-A510 WeakPolarHBondContact O-CB 3.47Å; E506-A510 PolarHBondContact O-N 3.44Å; A510-P512 WeakPolarHBondContact O-CD 3.5Å
511T52.2Low59.6Low61 Ų6160 Ų6037%0.37439%0.391SS..  trans-89.1102.8173.948.10000111.5A508 A509 S513A508-T511 PolarHBondContact O-OG1 3.16Å; A509-T511 VanDerWaalsContact C-N 3.33Å; A509-T511 PolarHBondContact O-N 3.45Å; T511-S513 PolarHBondContact O-N 2.74Å
512P44.3Very low57.5Low98 Ų9865.4 Ų65.464%0.63642%0.415SS*.  trans-72.9107.4169.427.5-32.9000110.1A510 S514A510-P512 WeakPolarHBondContact O-CD 3.5Å; P512-S514 PolarHBondContact O-N 3.16Å
513S43.5Very low55.5Low102 Ų10266.8 Ų66.871%0.71342%0.421SS*.SBendtrans21.358.2155.8-48.10000117.8T511T511-S513 PolarHBondContact O-N 2.74Å
514S37.5Very low53.4Low106 Ų10669.8 Ų69.874%0.74144%0.437SS*.  trans-167.3129.8166.1-82.80000110.9P512P512-S514 PolarHBondContact O-N 3.16Å
515S39.5Very low51.4Low116 Ų11671.4 Ų71.481%0.81146%0.457SS*.SBendtrans75.487.5175.968.30000118.5
516S39.1Very low49.5Very low131 Ų13174.6 Ų74.692%0.91648%0.483SS*.SBendtrans59.589.5138.2-52.10000119.2
517G43.9Very low47.9Very low58 Ų5882 Ų8260%0.59852%0.517SS*.SBendtrans143.9-22.5134.600000118.4
518L42.7Very low46.6Very low73 Ų7385.9 Ų85.938%0.38254%0.539SS..  trans-124.799.1-177.4-66.2-179.6000109.6Q520 F523 L568L518-Q520 PolarHBondContact O-N 3.14Å; L518-F523 HydrophobicContact CB-CE2 3.92Å; L518-F523 HydrophobicContact CB-CZ 4.44Å; L518-F523 HydrophobicContact CD2-CE2 4.32Å; L518-F523 HydrophobicContact CD2-CZ 4.1Å; L518-L568 HydrophobicContact CD1-CD1 4.39Å; L518-L568 HydrophobicContact CD2-CD1 4.39Å
519N38.8Very low45.4Very low117 Ų11792.3 Ų92.363%0.62657%0.573SS**  trans-62.3115.4-178.1-63.3-24.5000110.4S521 F522 F523N519-S521 PolarHBondContact O-N 3.13Å; N519-S521 VanDerWaalsContact O-N 3.11Å; N519-F522 HydrophobicContact CB-CB 4.37Å; N519-F522 WeakPolarHBondContact O-CB 3.35Å; N519-F522 PolarHBondContact O-N 3.33Å; N519-F523 WeakPolarHBondContact O-CD2 3.34Å
520Q42.5Very low44.4Very low82 Ų8298.4 Ų98.438%0.38360%0.595SS.*Hα-helixtrans-51.4-34.5178.5-167.6176.358.400113L518 F522 L524L518-Q520 PolarHBondContact O-N 3.14Å; Q520-F522 VanDerWaalsContact C-N 3.34Å; Q520-F522 PolarHBondContact O-N 2.95Å; Q520-L524 HydrophobicContact CG-CD1 3.92Å; Q520-L524 WeakPolarHBondContact O-CD1 3.33Å; Q520-L524 WeakPolarHBondContact O-CG 3.45Å
521S42.5Very low43.8Very low109 Ų109106 Ų10676%0.76263%0.626SS**Hα-helixtrans-69.3-22.9177.9154.40000114.6N519N519-S521 PolarHBondContact O-N 3.13Å; N519-S521 VanDerWaalsContact O-N 3.11Å
522F48.4Very low43.6Very low117 Ų117106.8 Ų106.851%0.51363%0.628SS.*Hα-helixtrans-77.2-30.7-177.8-176.4-97.7000112.2N519 Q520 S569N519-F522 HydrophobicContact CB-CB 4.37Å; N519-F522 WeakPolarHBondContact O-CB 3.35Å; N519-F522 PolarHBondContact O-N 3.33Å; Q520-F522 VanDerWaalsContact C-N 3.34Å; Q520-F522 PolarHBondContact O-N 2.95Å; F522-S569 VanDerWaalsContact CE1-OG 3.23Å; F522-S569 WeakPolarHBondContact CE1-OG 3.4Å
523F46.4Very low44Very low32 Ų32104.9 Ų104.914%0.1461%0.608CS.*Hα-helixtrans-86.2-19.6-179.3-62.8-81.9000113A508 L518 N519 G525 I572A508-F523 HydrophobicContact CB-CB 4.06Å; A508-F523 HydrophobicContact CB-CD1 4.14Å; A508-F523 HydrophobicContact CB-CD2 3.47Å; A508-F523 VanDerWaalsContact CB-CD2 3.47Å; A508-F523 HydrophobicContact CB-CE2 3.9Å; A508-F523 HydrophobicContact CB-CG 3.6Å; A508-F523 HydrophobicContact CB-CZ 4.4Å; L518-F523 HydrophobicContact CB-CE2 3.92Å; L518-F523 HydrophobicContact CB-CZ 4.44Å; L518-F523 HydrophobicContact CD2-CE2 4.32Å; L518-F523 HydrophobicContact CD2-CZ 4.1Å; N519-F523 WeakPolarHBondContact O-CD2 3.34Å; F523-G525 PolarHBondContact O-N 3.09Å; F523-I572 HydrophobicContact CD1-CD1 3.47Å; F523-I572 VanDerWaalsContact CD1-CD1 3.47Å; F523-I572 HydrophobicContact CE1-CD1 3.34Å
524L43.1Very low44.4Very low78 Ų78103.6 Ų103.641%0.40859%0.59SS.*  trans-99.984.1-173.4-62.7173.5000111.1Q520Q520-L524 HydrophobicContact CG-CD1 3.92Å; Q520-L524 WeakPolarHBondContact O-CD1 3.33Å; Q520-L524 WeakPolarHBondContact O-CG 3.45Å
525G43.8Very low45.9Very low46 Ų46102.3 Ų102.347%0.47457%0.571SS.*  trans-65.9148.3162.100000111.4F523 E527F523-G525 PolarHBondContact O-N 3.09Å; G525-E527 PolarHBondContact O-N 2.81Å
526P44.9Very low47.8Very low131 Ų13197 Ų9785%0.85153%0.534SS*.SBendtrans-75-11.1-170.824.6-30.8000116.6
527E43.5Very low50.1Low182 Ų18290.9 Ų90.985%0.8549%0.491SS*.  trans-118.236.9-162.3-63.3-168.7158.700117G525G525-E527 PolarHBondContact O-N 2.81Å
528V44.5Very low52.5Low98 Ų9891.7 Ų91.759%0.59448%0.476SS*.SBendtrans-128132.2179.7-172.10000113.2R533V528-R533 PolarHBondContact O-NE 2.79Å; V528-R533 PolarHBondContact O-NH2 3.28Å
529D44.7Very low55Low139 Ų13990.8 Ų90.874%0.74347%0.469SS*.  trans-54.2129.3-176.7-71.8-34.8000114.2E531 R533D529-E531 PolarHBondContact O-N 3.24Å; D529-R533 WeakPolarHBondContact O-CG 3.45Å
530Q46.1Very low57.5Low167 Ų16785.2 Ų85.278%0.7844%0.439SS*.G310 helixtrans-66.5-29.1-172.2-77.3175.7-13.600115.1
531E47.2Very low60.1Low183 Ų18381.3 Ų81.386%0.85542%0.421SS*.G310 helixtrans-77-21.9-172.5-84.8-169.2151.300115.2D529D529-E531 PolarHBondContact O-N 3.24Å
532N49.2Very low62.7Low77 Ų7776.1 Ų76.141%0.41239%0.385SS..G310 helixtrans-109.12-176.9-103.7-6000114.1F534 K535N532-F534 PolarHBondContact O-N 2.95Å; N532-K535 PolarHBondContact OD1-NZ 3.36Å
533R52.1Low65.1Low59 Ų5970.6 Ų70.622%0.22336%0.36CS..THydrogen-bonded Turntrans-64.1-31-168.5-70.5-163.7-174.1-173.50.4116.4V528 D529V528-R533 PolarHBondContact O-NE 2.79Å; V528-R533 PolarHBondContact O-NH2 3.28Å; D529-R533 WeakPolarHBondContact O-CG 3.45Å
534F53.3Low67.5Low74 Ų7469.1 Ų69.133%0.32535%0.354SS..THydrogen-bonded Turntrans-131.239.6-161.7-56.5-66.2000114.6E505 E506 A509 N532 V536E505-F534 HydrophobicContact CB-CE1 4.4Å; E506-F534 HydrophobicContact CB-CB 4.38Å; E506-F534 HydrophobicContact CB-CD1 3.82Å; E506-F534 HydrophobicContact CB-CG 4.46Å; E506-F534 HydrophobicContact CG-CB 4.21Å; E506-F534 HydrophobicContact CG-CD1 4.25Å; E506-F534 HydrophobicContact CG-CG 4.46Å; A509-F534 HydrophobicContact CB-CE1 3.9Å; A509-F534 HydrophobicContact CB-CZ 3.83Å; N532-F534 PolarHBondContact O-N 2.95Å; F534-V536 VanDerWaalsContact C-N 3.28Å; F534-V536 PolarHBondContact O-N 3.44Å
535K67.3Low70.1Confident80 Ų8065.4 Ų65.435%0.34834%0.335SS..  trans-88.764.8-174.4-84.3-175.1-176.3163.90111.7T486 N532 G537T486-K535 HydrophobicContact CG2-CB 3.32Å; T486-K535 HydrophobicContact CG2-CD 3.96Å; T486-K535 HydrophobicContact CG2-CG 3.55Å; N532-K535 PolarHBondContact OD1-NZ 3.36Å; K535-G537 PolarHBondContact O-N 3.09Å
536V79.9Confident72.7Confident4 Ų463.2 Ų63.22%0.02431%0.312CS..  trans-61.5129.3169172.70000109.3L455 T486 V487 E502 Q503 E506 F534L455-V536 HydrophobicContact CD1-CG1 4.19Å; L455-V536 HydrophobicContact CD2-CG1 3.48Å; L455-V536 VanDerWaalsContact CD2-CG1 3.48Å; L455-V536 HydrophobicContact CG-CG1 4.49Å; T486-V536 CarbonylContact C-O 3.49Å; T486-V536 WeakPolarHBondContact CA-O 3.44Å; T486-V536 WeakPolarHBondContact CB-O 3.4Å; V487-V536 PolarHBondContact N-O 3.25Å; E502-V536 HydrophobicContact CG-CG2 4.12Å; Q503-V536 HydrophobicContact CB-CG2 4.29Å; Q503-V536 HydrophobicContact CG-CB 4.41Å; Q503-V536 HydrophobicContact CG-CG1 3.72Å; Q503-V536 HydrophobicContact CG-CG2 3.76Å; E506-V536 HydrophobicContact CB-CG2 4.46Å; E506-V536 WeakPolarHBondContact OE2-CG2 3.32Å; F534-V536 VanDerWaalsContact C-N 3.28Å; F534-V536 PolarHBondContact O-N 3.44Å
537G87.3Confident75.2Confident2 Ų257 Ų572%0.02127%0.272CS..BIsolated β-bridgetrans-176.3-154.2-171.500000113.1V453 T485 K535 K539 S540V453-G537 WeakPolarHBondContact CG1-O 3.39Å; T485-G537 VanDerWaalsContact O-CA 3.29Å; T485-G537 WeakPolarHBondContact O-CA 3.33Å; K535-G537 PolarHBondContact O-N 3.09Å; G537-K539 PolarHBondContact O-N 3.4Å; G537-S540 PolarHBondContact N-OG 3.26Å; G537-S540 VanDerWaalsContact O-CB 3.28Å; G537-S540 WeakPolarHBondContact O-CB 3.33Å; G537-S540 PolarHBondContact O-N 3.44Å; G537-S540 PolarHBondContact O-OG 3.15Å
538R93.7Very high77.8Confident76 Ų7648.3 Ų48.329%0.28723%0.231SC..Hα-helixtrans-51.1-35.5-176.7-66.6-175.1-169.3174.53.3113.7H448 V453 L480 T485 S540 D541H448-R538 PolarHBondContact CE1-O 2.91Å; H448-R538 PolarHBondContact O-NH2 2.9Å; V453-R538 HydrophobicContact CG2-CG 4.02Å; L480-R538 HydrophobicContact CD1-CG 3.89Å; L480-R538 VanDerWaalsContact CD1-NE 3.29Å; T485-R538 PolarHBondContact O-N 2.89Å; R538-S540 VanDerWaalsContact C-N 3.29Å; R538-S540 PolarHBondContact O-N 2.81Å; R538-D541 WeakPolarHBondContact O-CB 3.3Å; R538-D541 PolarHBondContact O-N 3.47Å
539K95.2Very high80.4Confident54 Ų5443.6 Ų43.624%0.23520%0.203CC..Hα-helixtrans-70.3-23.8-179.1-61.5-65.7-171.273.20112.7G537 D541 I542 W543 H600 R603 A604G537-K539 PolarHBondContact O-N 3.4Å; K539-D541 VanDerWaalsContact C-N 3.33Å; K539-I542 WeakPolarHBondContact O-CB 3.5Å; K539-I542 PolarHBondContact O-N 3.15Å; K539-I542 VanDerWaalsContact O-N 3.16Å; K539-W543 PolarHBondContact O-N 3.33Å; K539-W543 VanDerWaalsContact O-N 3.16Å; K539-H600 HydrophobicContact CB-CB 4.11Å; K539-H600 WeakPolarHBondContact CG-O 3.47Å; K539-H600 PolarHBondContact NZ-O 3.02Å; K539-R603 VanDerWaalsContact C-NH1 3.29Å; K539-R603 WeakPolarHBondContact CE-O 3.39Å; K539-R603 PolarHBondContact NZ-O 3.43Å; K539-R603 VanDerWaalsContact O-CD 3.25Å; K539-R603 WeakPolarHBondContact O-CD 3.41Å; K539-R603 PolarHBondContact O-NH1 3.38Å; K539-A604 WeakPolarHBondContact CD-O 3.47Å
540S93Very high82.8Confident0 Ų037.2 Ų37.20%017%0.168CC..Hα-helixtrans-67.3-36.2176-48.30000111.4S500 E502 G537 R538 I542 W543 S544S500-S540 WeakPolarHBondContact OG-CB 3.36Å; S500-S540 PolarHBondContact OG-OG 3.34Å; E502-S540 WeakPolarHBondContact OE1-CA 3.33Å; E502-S540 WeakPolarHBondContact OE1-CB 3.41Å; E502-S540 PolarHBondContact OE1-OG 3.35Å; G537-S540 PolarHBondContact N-OG 3.26Å; G537-S540 VanDerWaalsContact O-CB 3.28Å; G537-S540 WeakPolarHBondContact O-CB 3.33Å; G537-S540 PolarHBondContact O-N 3.44Å; G537-S540 PolarHBondContact O-OG 3.15Å; R538-S540 VanDerWaalsContact C-N 3.29Å; R538-S540 PolarHBondContact O-N 2.81Å; S540-I542 VanDerWaalsContact C-N 3.3Å; S540-I542 PolarHBondContact O-N 3.03Å; S540-W543 PolarHBondContact O-N 3.25Å; S540-S544 PolarHBondContact O-N 2.97Å; S540-S544 PolarHBondContact O-OG 3.29Å; S540-S544 VanDerWaalsContact O-OG 3.09Å
541D95.7Very high85.1Confident0 Ų030.3 Ų30.30%014%0.136CC..Hα-helixtrans-61.7-39.3170.2-71.1-15.9000111.4V444 H448 V453 H454 L455 L457 R538 K539 W543 S544 L545V444-D541 HydrophobicContact CG1-CB 4.07Å; H448-D541 IonicContact CD2-OD2 3.58Å; H448-D541 IonicContact CE1-OD2 3.09Å; H448-D541 IonicContact NE2-OD2 3.75Å; H448-D541 PolarHBondContact NE2-OD2 3.2Å; V453-D541 WeakPolarHBondContact CG1-OD2 3.39Å; H454-D541 PolarHBondContact N-OD1 2.95Å; H454-D541 PolarHBondContact N-OD2 3.1Å; L455-D541 PolarHBondContact N-OD1 2.95Å; L457-D541 HydrophobicContact CD1-CB 3.57Å; R538-D541 WeakPolarHBondContact O-CB 3.3Å; R538-D541 PolarHBondContact O-N 3.47Å; K539-D541 VanDerWaalsContact C-N 3.33Å; D541-W543 PolarHBondContact O-N 3.13Å; D541-S544 WeakPolarHBondContact O-CB 3.5Å; D541-S544 PolarHBondContact O-N 3.22Å; D541-L545 WeakPolarHBondContact O-CG 3.38Å; D541-L545 PolarHBondContact O-N 2.89Å
542I98.1Very high87.2Confident0 Ų021.6 Ų21.60%010%0.096CC..Hα-helixtrans-64.5-39179.3-54.6-54.9000112.2K539 S540 S544 L545 G546 R603 A604 V606 L609K539-I542 WeakPolarHBondContact O-CB 3.5Å; K539-I542 PolarHBondContact O-N 3.15Å; K539-I542 VanDerWaalsContact O-N 3.16Å; S540-I542 VanDerWaalsContact C-N 3.3Å; S540-I542 PolarHBondContact O-N 3.03Å; I542-S544 VanDerWaalsContact C-N 3.34Å; I542-L545 HydrophobicContact CD1-CD1 4.18Å; I542-L545 PolarHBondContact O-N 3.38Å; I542-G546 PolarHBondContact O-N 3.46Å; I542-R603 HydrophobicContact CG2-CG 4.17Å; I542-A604 WeakPolarHBondContact CG1-O 3.4Å; I542-A604 WeakPolarHBondContact CG2-O 3.46Å; I542-V606 HydrophobicContact CD1-CB 3.93Å; I542-L609 HydrophobicContact CD1-CD1 4.39Å; I542-L609 HydrophobicContact CG2-CD1 3.68Å
543W97.7Very high89.2Confident0 Ų018.9 Ų18.90%08%0.082CC..Hα-helixtrans-60.1-48.5172.8172.8-83.8000111F498 M499 P501 K539 S540 D541 L545 G546 V547 F559 I571 I578 L596 R598F498-W543 VanDerWaalsContact O-CD1 3.3Å; M499-W543 PolarHBondContact O-NE1 3.48Å; P501-W543 HydrophobicContact CG-CD2 4.49Å; P501-W543 HydrophobicContact CG-CE3 4.2Å; P501-W543 HydrophobicContact CG-CH2 3.72Å; P501-W543 HydrophobicContact CG-CZ2 4.04Å; P501-W543 HydrophobicContact CG-CZ3 3.81Å; K539-W543 PolarHBondContact O-N 3.33Å; K539-W543 VanDerWaalsContact O-N 3.16Å; S540-W543 PolarHBondContact O-N 3.25Å; D541-W543 PolarHBondContact O-N 3.13Å; W543-L545 VanDerWaalsContact C-N 3.31Å; W543-L545 PolarHBondContact O-N 2.98Å; W543-G546 CarbonylContact O-C 3.58Å; W543-G546 WeakPolarHBondContact O-CA 3.18Å; W543-G546 PolarHBondContact O-N 2.99Å; W543-V547 WeakPolarHBondContact O-CG2 3.43Å; W543-V547 PolarHBondContact O-N 3.2Å; W543-F559 AromaticContact CH2-CE2 3.99Å; W543-F559 HydrophobicContact CH2-CE2 3.99Å; W543-F559 HydrophobicContact CH2-CZ 4.31Å; W543-F559 AromaticContact CZ2-CE2 3.73Å; W543-F559 HydrophobicContact CZ2-CE2 3.73Å; W543-F559 HydrophobicContact CZ2-CZ 4.46Å; W543-I571 HydrophobicContact CH2-CG2 4.48Å; W543-I571 HydrophobicContact CZ2-CG2 3.79Å; W543-I578 HydrophobicContact CH2-CD1 4.34Å; W543-L596 HydrophobicContact CD2-CD2 4.43Å; W543-L596 HydrophobicContact CE3-CD2 4.47Å; W543-R598 HydrophobicContact CH2-CG 4.24Å; W543-R598 HydrophobicContact CZ3-CG 4.1Å
544S97.1Very high91.1Very high1 Ų117.9 Ų17.91%0.0078%0.078CC..Hα-helixtrans-58.4-44.2179.4-54.50000111.2F498 S540 D541 I542 G546 V547 I548F498-S544 PolarHBondContact O-OG 3.05Å; F498-S544 VanDerWaalsContact O-OG 3.05Å; S540-S544 PolarHBondContact O-N 2.97Å; S540-S544 PolarHBondContact O-OG 3.29Å; S540-S544 VanDerWaalsContact O-OG 3.09Å; D541-S544 WeakPolarHBondContact O-CB 3.5Å; D541-S544 PolarHBondContact O-N 3.22Å; I542-S544 VanDerWaalsContact C-N 3.34Å; S544-G546 VanDerWaalsContact C-N 3.34Å; S544-G546 PolarHBondContact O-N 3.46Å; S544-V547 PolarHBondContact O-N 3.26Å; S544-I548 WeakPolarHBondContact O-CG1 3.16Å; S544-I548 PolarHBondContact O-N 3.44Å
545L98.4Very high92.7Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-58.2-43.9171.9-72.2-177.7000112.1W437 M440 L441 V444 L457 F462 D541 I542 W543 V547 I548 L549W437-L545 HydrophobicContact CH2-CB 3.91Å; W437-L545 HydrophobicContact CZ3-CB 3.81Å; W437-L545 WeakPolarHBondContact CZ3-O 2.94Å; M440-L545 HydrophobicContact CB-CD2 4.02Å; M440-L545 HydrophobicContact CE-CD2 3.54Å; L441-L545 HydrophobicContact CD2-CD1 3.94Å; V444-L545 HydrophobicContact CB-CD1 4.13Å; V444-L545 HydrophobicContact CG1-CD1 4.33Å; V444-L545 HydrophobicContact CG2-CD1 3.83Å; V444-L545 HydrophobicContact CG2-CD2 3.94Å; V444-L545 HydrophobicContact CG2-CG 4.15Å; L457-L545 HydrophobicContact CD1-CD2 4.18Å; L457-L545 HydrophobicContact CD1-CG 4.11Å; F462-L545 HydrophobicContact CE2-CD2 4.39Å; F462-L545 HydrophobicContact CZ-CD2 3.76Å; D541-L545 WeakPolarHBondContact O-CG 3.38Å; D541-L545 PolarHBondContact O-N 2.89Å; I542-L545 HydrophobicContact CD1-CD1 4.18Å; I542-L545 PolarHBondContact O-N 3.38Å; W543-L545 VanDerWaalsContact C-N 3.31Å; W543-L545 PolarHBondContact O-N 2.98Å; L545-V547 VanDerWaalsContact C-N 3.33Å; L545-V547 PolarHBondContact O-N 3.19Å; L545-I548 PolarHBondContact O-N 3.42Å; L545-L549 WeakPolarHBondContact O-CB 3.24Å; L545-L549 PolarHBondContact O-N 3.31Å
546G98.4Very high93.7Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-60.4-38.7175.600000113.3I542 W543 S544 L549 Y550I542-G546 PolarHBondContact O-N 3.46Å; W543-G546 CarbonylContact O-C 3.58Å; W543-G546 WeakPolarHBondContact O-CA 3.18Å; W543-G546 PolarHBondContact O-N 2.99Å; S544-G546 VanDerWaalsContact C-N 3.34Å; S544-G546 PolarHBondContact O-N 3.46Å; G546-L549 PolarHBondContact O-N 3.15Å; G546-Y550 WeakPolarHBondContact O-CB 3.32Å; G546-Y550 PolarHBondContact O-N 3.02Å
547V97.8Very high94.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-64.9-41.7174.3176.50000110.9F498 W543 S544 L545 Y550 M551 L557 P558 L596F498-V547 HydrophobicContact CD1-CB 3.9Å; F498-V547 HydrophobicContact CD1-CG1 3.39Å; F498-V547 HydrophobicContact CE1-CB 4.44Å; F498-V547 HydrophobicContact CE1-CG1 3.64Å; F498-V547 HydrophobicContact CG-CG1 4.24Å; W543-V547 WeakPolarHBondContact O-CG2 3.43Å; W543-V547 PolarHBondContact O-N 3.2Å; S544-V547 PolarHBondContact O-N 3.26Å; L545-V547 VanDerWaalsContact C-N 3.33Å; L545-V547 PolarHBondContact O-N 3.19Å; V547-Y550 WeakPolarHBondContact O-CB 3.39Å; V547-Y550 PolarHBondContact O-N 2.99Å; V547-M551 PolarHBondContact O-N 2.98Å; V547-L557 HydrophobicContact CG1-CD2 3.77Å; V547-P558 HydrophobicContact CB-CG 4.49Å; V547-P558 HydrophobicContact CG1-CG 4.16Å; V547-P558 HydrophobicContact CG2-CG 4.11Å; V547-L596 HydrophobicContact CG2-CD2 3.97Å
548I97.6Very high94.6Very high0 Ų018.9 Ų18.90%010%0.095CC..Hα-helixtrans-65.5-44.6175.6-60.4167.9000110.5L406 I410 M440 P459 F462 F498 S544 L545 Y550 M551 M552L406-I548 HydrophobicContact CD2-CG2 4Å; I410-I548 HydrophobicContact CD1-CG2 4.26Å; M440-I548 HydrophobicContact CE-CB 3.67Å; M440-I548 HydrophobicContact CE-CD1 4.05Å; M440-I548 HydrophobicContact CE-CG1 4.48Å; M440-I548 HydrophobicContact CE-CG2 3.4Å; M440-I548 VanDerWaalsContact CE-CG2 3.4Å; M440-I548 HydrophobicContact SD-CG2 3.94Å; P459-I548 HydrophobicContact CG-CD1 4.5Å; P459-I548 HydrophobicContact CG-CG1 3.96Å; P459-I548 HydrophobicContact CG-CG2 4.09Å; F462-I548 HydrophobicContact CD2-CD1 4.27Å; F462-I548 HydrophobicContact CE2-CD1 3.7Å; F498-I548 HydrophobicContact CD1-CG1 3.99Å; F498-I548 HydrophobicContact CE1-CG1 3.9Å; S544-I548 WeakPolarHBondContact O-CG1 3.16Å; S544-I548 PolarHBondContact O-N 3.44Å; L545-I548 PolarHBondContact O-N 3.42Å; I548-Y550 VanDerWaalsContact C-N 3.31Å; I548-Y550 PolarHBondContact O-N 3.25Å; I548-M551 CarbonylContact O-C 3.56Å; I548-M551 WeakPolarHBondContact O-CA 3.44Å; I548-M551 WeakPolarHBondContact O-CB 3.43Å; I548-M551 PolarHBondContact O-N 3.5Å; I548-M551 VanDerWaalsContact O-N 3.1Å; I548-M552 WeakPolarHBondContact O-CG 3.46Å; I548-M552 PolarHBondContact O-N 3.17Å
549L97.7Very high94.6Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-59.3-42.4175.8-178.559.9000111.7I433 W437 L545 G546 M551 M552 V553 I588 A591 L592I433-L549 HydrophobicContact CG2-CD1 3.7Å; W437-L549 HydrophobicContact CB-CD1 4.4Å; W437-L549 HydrophobicContact CD2-CD1 4.05Å; W437-L549 HydrophobicContact CD2-CD2 3.97Å; W437-L549 HydrophobicContact CD2-CG 4.44Å; W437-L549 HydrophobicContact CE3-CB 3.89Å; W437-L549 HydrophobicContact CE3-CD1 3.98Å; W437-L549 HydrophobicContact CE3-CD2 4.03Å; W437-L549 HydrophobicContact CE3-CG 4.18Å; W437-L549 HydrophobicContact CG-CD1 4.24Å; W437-L549 HydrophobicContact CH2-CB 4.31Å; W437-L549 HydrophobicContact CH2-CD2 3.94Å; W437-L549 HydrophobicContact CZ2-CD2 3.88Å; W437-L549 HydrophobicContact CZ3-CB 3.72Å; W437-L549 HydrophobicContact CZ3-CD2 4.02Å; W437-L549 HydrophobicContact CZ3-CG 4.32Å; L545-L549 WeakPolarHBondContact O-CB 3.24Å; L545-L549 PolarHBondContact O-N 3.31Å; G546-L549 PolarHBondContact O-N 3.15Å; L549-M551 VanDerWaalsContact C-N 3.29Å; L549-M551 PolarHBondContact O-N 3.19Å; L549-M552 HydrophobicContact CB-CE 4.27Å; L549-M552 HydrophobicContact CD1-CE 3.51Å; L549-M552 WeakPolarHBondContact O-CB 3.49Å; L549-M552 PolarHBondContact O-N 3.33Å; L549-M552 VanDerWaalsContact O-N 3.15Å; L549-V553 HydrophobicContact CD1-CG2 4.2Å; L549-V553 HydrophobicContact CG-CG2 4.47Å; L549-V553 VanDerWaalsContact O-CG2 3.3Å; L549-V553 WeakPolarHBondContact O-CG2 3.28Å; L549-V553 PolarHBondContact O-N 2.78Å; L549-I588 HydrophobicContact CD1-CD1 4.48Å; L549-I588 HydrophobicContact CD1-CG2 4.14Å; L549-A591 HydrophobicContact CD2-CB 4.01Å; L549-L592 HydrophobicContact CB-CD2 4.02Å; L549-L592 HydrophobicContact CD2-CD2 3.9Å; L549-L592 HydrophobicContact CD2-CG 3.81Å; L549-L592 HydrophobicContact CG-CD2 3.7Å; L549-L592 HydrophobicContact CG-CG 3.97Å
550Y96.5Very high94.1Very high4 Ų417.5 Ų17.52%0.01610%0.096CC..Hα-helixtrans-58.7-43.8174.5-171.2-76.7000111G546 V547 I548 M552 V553 Y554 Q556 P558 I578 S579 L580 L592 L596G546-Y550 WeakPolarHBondContact O-CB 3.32Å; G546-Y550 PolarHBondContact O-N 3.02Å; V547-Y550 WeakPolarHBondContact O-CB 3.39Å; V547-Y550 PolarHBondContact O-N 2.99Å; I548-Y550 VanDerWaalsContact C-N 3.31Å; I548-Y550 PolarHBondContact O-N 3.25Å; Y550-M552 VanDerWaalsContact C-N 3.35Å; Y550-M552 PolarHBondContact O-N 2.93Å; Y550-V553 PolarHBondContact O-N 3.43Å; Y550-Y554 AromaticContact CD1-CD2 3.76Å; Y550-Y554 HydrophobicContact CD1-CD2 3.76Å; Y550-Y554 AromaticContact CD2-CD2 3.56Å; Y550-Y554 HydrophobicContact CD2-CD2 3.56Å; Y550-Y554 AromaticContact CD2-CE2 3.64Å; Y550-Y554 HydrophobicContact CD2-CE2 3.64Å; Y550-Y554 AromaticContact CE1-CD2 3.66Å; Y550-Y554 HydrophobicContact CE1-CD2 3.66Å; Y550-Y554 HydrophobicContact CE1-CG 4.16Å; Y550-Y554 AromaticContact CE2-CD2 3.47Å; Y550-Y554 HydrophobicContact CE2-CD2 3.47Å; Y550-Y554 VanDerWaalsContact CE2-CD2 3.47Å; Y550-Y554 AromaticContact CE2-CE2 3.56Å; Y550-Y554 HydrophobicContact CE2-CE2 3.56Å; Y550-Y554 HydrophobicContact CE2-CG 4.47Å; Y550-Y554 AromaticContact CG-CD2 3.69Å; Y550-Y554 HydrophobicContact CG-CD2 3.69Å; Y550-Y554 HydrophobicContact CG-CE2 4.2Å; Y550-Y554 AromaticContact CZ-CD2 3.5Å; Y550-Y554 VanDerWaalsContact CZ-CD2 3.5Å; Y550-Y554 WeakPolarHBondContact O-CD2 3.08Å; Y550-Y554 PolarHBondContact O-N 3.49Å; Y550-Q556 WeakPolarHBondContact CD1-O 3.33Å; Y550-Q556 HydrophobicContact CE1-CG 4.04Å; Y550-P558 HydrophobicContact CD1-CB 4.02Å; Y550-P558 HydrophobicContact CD1-CG 4.34Å; Y550-P558 HydrophobicContact CD2-CB 3.93Å; Y550-P558 HydrophobicContact CE1-CB 4.15Å; Y550-P558 HydrophobicContact CE2-CB 4.04Å; Y550-P558 HydrophobicContact CG-CB 3.94Å; Y550-P558 HydrophobicContact CG-CG 4.24Å; Y550-I578 HydrophobicContact CE2-CG2 4.22Å; Y550-S579 VanDerWaalsContact CE2-O 3.22Å; Y550-S579 WeakPolarHBondContact CE2-O 3.5Å; Y550-S579 PolarHBondContact OH-O 3.41Å; Y550-L580 HydrophobicContact CD2-CD2 3.85Å; Y550-L580 HydrophobicContact CE2-CD2 3.79Å; Y550-L592 HydrophobicContact CD2-CD2 4.38Å; Y550-L596 HydrophobicContact CD2-CD1 3.95Å
551M93.3Very high93.7Very high23 Ų2320.3 Ų20.311%0.11311%0.109CC..Hα-helixtrans-64.7-36.1176-172.7-177.9139.300112.6I410 W414 P459 V547 I548 L549 G555 Q556I410-M551 HydrophobicContact CB-CE 3.9Å; I410-M551 HydrophobicContact CD1-CE 3.97Å; I410-M551 HydrophobicContact CG2-CE 3.53Å; I410-M551 HydrophobicContact CG2-CG 4.15Å; W414-M551 PolarHBondContact NE1-O 3.08Å; P459-M551 HydrophobicContact CG-CE 4.32Å; P459-M551 HydrophobicContact CG-SD 4.11Å; V547-M551 PolarHBondContact O-N 2.98Å; I548-M551 CarbonylContact O-C 3.56Å; I548-M551 WeakPolarHBondContact O-CA 3.44Å; I548-M551 WeakPolarHBondContact O-CB 3.43Å; I548-M551 PolarHBondContact O-N 3.5Å; I548-M551 VanDerWaalsContact O-N 3.1Å; L549-M551 VanDerWaalsContact C-N 3.29Å; L549-M551 PolarHBondContact O-N 3.19Å; M551-G555 VanDerWaalsContact O-CA 3.22Å; M551-G555 WeakPolarHBondContact O-CA 3.32Å; M551-G555 PolarHBondContact O-N 2.65Å; M551-Q556 WeakPolarHBondContact CA-O 3.25Å
552M91.8Very high92.9Very high0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-64.9-43173.6-65.8-166.5-63.900112I410 W414 M428 I433 W437 M440 I548 L549 Y550I410-M552 HydrophobicContact CD1-CG 3.58Å; I410-M552 HydrophobicContact CD1-SD 4.46Å; I410-M552 HydrophobicContact CG1-CG 3.85Å; W414-M552 PolarHBondContact NE1-O 3.43Å; M428-M552 HydrophobicContact CE-SD 4.2Å; M428-M552 HydrophobicContact SD-CB 3.85Å; M428-M552 HydrophobicContact SD-CG 4.06Å; M428-M552 HydrophobicContact SD-SD 4.19Å; I433-M552 HydrophobicContact CG1-CB 4.37Å; I433-M552 HydrophobicContact CG2-CE 4.34Å; W437-M552 HydrophobicContact CB-CE 4.25Å; W437-M552 HydrophobicContact CE3-CE 4.3Å; M440-M552 HydrophobicContact SD-CE 3.89Å; M440-M552 HydrophobicContact SD-SD 4.22Å; I548-M552 WeakPolarHBondContact O-CG 3.46Å; I548-M552 PolarHBondContact O-N 3.17Å; L549-M552 HydrophobicContact CB-CE 4.27Å; L549-M552 HydrophobicContact CD1-CE 3.51Å; L549-M552 WeakPolarHBondContact O-CB 3.49Å; L549-M552 PolarHBondContact O-N 3.33Å; L549-M552 VanDerWaalsContact O-N 3.15Å; Y550-M552 VanDerWaalsContact C-N 3.35Å; Y550-M552 PolarHBondContact O-N 2.93Å
553V91.7Very high92.1Very high20 Ų2035.5 Ų35.512%0.12118%0.183CC..Hα-helixtrans-77.1-41.6-175.2174.30000112.7W414 I433 L549 Y550 I583 I588 L592W414-V553 WeakPolarHBondContact CZ2-O 3.48Å; I433-V553 HydrophobicContact CD1-CG2 4.02Å; I433-V553 HydrophobicContact CG2-CG2 4.18Å; L549-V553 HydrophobicContact CD1-CG2 4.2Å; L549-V553 HydrophobicContact CG-CG2 4.47Å; L549-V553 VanDerWaalsContact O-CG2 3.3Å; L549-V553 WeakPolarHBondContact O-CG2 3.28Å; L549-V553 PolarHBondContact O-N 2.78Å; Y550-V553 PolarHBondContact O-N 3.43Å; V553-I583 HydrophobicContact CG1-CD1 4.09Å; V553-I583 HydrophobicContact CG1-CG2 3.82Å; V553-I588 HydrophobicContact CG2-CG2 3.85Å; V553-L592 HydrophobicContact CB-CD1 4.46Å; V553-L592 HydrophobicContact CG1-CD1 4.37Å; V553-L592 HydrophobicContact CG2-CD1 4.18Å
554Y91.1Very high91.3Very high37 Ų3739.3 Ų39.315%0.14520%0.203CC..Hα-helixtrans-116.2-5.6-170.5-54.9-69.5000114.4W414 Y550 Q556 L580 P581 I583 L592W414-Y554 VanDerWaalsContact CH2-C 3.44Å; W414-Y554 VanDerWaalsContact CZ2-C 3.47Å; Y550-Y554 AromaticContact CD1-CD2 3.76Å; Y550-Y554 HydrophobicContact CD1-CD2 3.76Å; Y550-Y554 AromaticContact CD2-CD2 3.56Å; Y550-Y554 HydrophobicContact CD2-CD2 3.56Å; Y550-Y554 AromaticContact CD2-CE2 3.64Å; Y550-Y554 HydrophobicContact CD2-CE2 3.64Å; Y550-Y554 AromaticContact CE1-CD2 3.66Å; Y550-Y554 HydrophobicContact CE1-CD2 3.66Å; Y550-Y554 HydrophobicContact CE1-CG 4.16Å; Y550-Y554 AromaticContact CE2-CD2 3.47Å; Y550-Y554 HydrophobicContact CE2-CD2 3.47Å; Y550-Y554 VanDerWaalsContact CE2-CD2 3.47Å; Y550-Y554 AromaticContact CE2-CE2 3.56Å; Y550-Y554 HydrophobicContact CE2-CE2 3.56Å; Y550-Y554 HydrophobicContact CE2-CG 4.47Å; Y550-Y554 AromaticContact CG-CD2 3.69Å; Y550-Y554 HydrophobicContact CG-CD2 3.69Å; Y550-Y554 HydrophobicContact CG-CE2 4.2Å; Y550-Y554 AromaticContact CZ-CD2 3.5Å; Y550-Y554 VanDerWaalsContact CZ-CD2 3.5Å; Y550-Y554 WeakPolarHBondContact O-CD2 3.08Å; Y550-Y554 PolarHBondContact O-N 3.49Å; Y554-Q556 PolarHBondContact O-N 3.47Å; Y554-L580 HydrophobicContact CE2-CD2 4.27Å; Y554-P581 HydrophobicContact CE1-CB 4.1Å; Y554-P581 HydrophobicContact CE1-CG 4.08Å; Y554-P581 PolarHBondContact OH-O 3.49Å; Y554-I583 HydrophobicContact CE1-CG2 4.04Å; Y554-L592 HydrophobicContact CE2-CD1 3.85Å
555G86.4Confident90.6Very high32 Ų3243.2 Ų43.233%0.3322%0.221SC..SBendtrans74.24.1175.700000115.4W414 M551W414-G555 VanDerWaalsContact CE2-N 3.33Å; M551-G555 VanDerWaalsContact O-CA 3.22Å; M551-G555 WeakPolarHBondContact O-CA 3.32Å; M551-G555 PolarHBondContact O-N 2.65Å
556Q89Confident90Very high97 Ų9745.8 Ų45.845%0.45324%0.239SC..SBendtrans-139.6172.4-178.966.8-178.2-500110.4Y550 M551 Y554Y550-Q556 WeakPolarHBondContact CD1-O 3.33Å; Y550-Q556 HydrophobicContact CE1-CG 4.04Å; M551-Q556 WeakPolarHBondContact CA-O 3.25Å; Y554-Q556 PolarHBondContact O-N 3.47Å
557L92.2Very high89.4Confident34 Ų3447.9 Ų47.918%0.17825%0.247CC..  trans-82.2150.6173.8-67.1169.8000111F498 V547 F559F498-L557 HydrophobicContact CE1-CD2 4.07Å; F498-L557 HydrophobicContact CZ-CD2 3.95Å; V547-L557 HydrophobicContact CG1-CD2 3.77Å; L557-F559 PolarHBondContact O-N 2.99Å
558P94.2Very high88.9Confident18 Ų1848.2 Ų48.212%0.11725%0.249CC..SBendtrans-63-27.5175.923.7-31.3000112.6V547 Y550 I578V547-P558 HydrophobicContact CB-CG 4.49Å; V547-P558 HydrophobicContact CG1-CG 4.16Å; V547-P558 HydrophobicContact CG2-CG 4.11Å; Y550-P558 HydrophobicContact CD1-CB 4.02Å; Y550-P558 HydrophobicContact CD1-CG 4.34Å; Y550-P558 HydrophobicContact CD2-CB 3.93Å; Y550-P558 HydrophobicContact CE1-CB 4.15Å; Y550-P558 HydrophobicContact CE2-CB 4.04Å; Y550-P558 HydrophobicContact CG-CB 3.94Å; Y550-P558 HydrophobicContact CG-CG 4.24Å; P558-I578 HydrophobicContact CB-CG2 4Å
559F93.2Very high88.4Confident5 Ų549 Ų492%0.02225%0.254CS..  trans-122.699.7175.2-55.9-80.1000108.8W543 L557 Q561 R567 A570 I571 V576 I578W543-F559 AromaticContact CH2-CE2 3.99Å; W543-F559 HydrophobicContact CH2-CE2 3.99Å; W543-F559 HydrophobicContact CH2-CZ 4.31Å; W543-F559 AromaticContact CZ2-CE2 3.73Å; W543-F559 HydrophobicContact CZ2-CE2 3.73Å; W543-F559 HydrophobicContact CZ2-CZ 4.46Å; L557-F559 PolarHBondContact O-N 2.99Å; F559-Q561 VanDerWaalsContact C-OE1 3.26Å; F559-R567 HydrophobicContact CB-CG 3.84Å; F559-R567 VanDerWaalsContact O-CD 3.24Å; F559-R567 WeakPolarHBondContact O-CD 3.49Å; F559-R567 WeakPolarHBondContact O-CG 3.2Å; F559-A570 HydrophobicContact CD1-CB 3.75Å; F559-A570 HydrophobicContact CE1-CB 4.27Å; F559-A570 VanDerWaalsContact CE1-O 3.23Å; F559-A570 WeakPolarHBondContact CE1-O 3.29Å; F559-I571 HydrophobicContact CB-CG1 4.08Å; F559-I571 HydrophobicContact CD1-CG1 4.35Å; F559-I571 HydrophobicContact CD2-CB 4.44Å; F559-I571 HydrophobicContact CD2-CD1 4.41Å; F559-I571 HydrophobicContact CD2-CG1 3.42Å; F559-I571 VanDerWaalsContact CD2-CG1 3.42Å; F559-I571 HydrophobicContact CE2-CB 4.45Å; F559-I571 HydrophobicContact CE2-CG1 3.87Å; F559-I571 HydrophobicContact CG-CG1 3.69Å; F559-I571 HydrophobicContact CZ-CG1 4.47Å; F559-V576 HydrophobicContact CE1-CG1 4.37Å; F559-I578 HydrophobicContact CE1-CG1 4.17Å; F559-I578 HydrophobicContact CE2-CD1 4.16Å; F559-I578 HydrophobicContact CE2-CG1 4.31Å; F559-I578 HydrophobicContact CZ-CD1 3.79Å; F559-I578 HydrophobicContact CZ-CG1 3.59Å
560N85.6Confident88.1Confident97 Ų9749.2 Ų49.252%0.51926%0.256SS..  trans-117.932.3-172.7-161.127.5000113.5
561Q84.1Confident87.9Confident59 Ų5949 Ų4928%0.27626%0.255SS..  trans-63.3143.8175.6-63.177.32.900110.2F559 K563 R567 A570F559-Q561 VanDerWaalsContact C-OE1 3.26Å; Q561-K563 PolarHBondContact O-N 2.92Å; Q561-R567 HydrophobicContact CB-CB 4.21Å; Q561-R567 PolarHBondContact O-NE 3.41Å; Q561-R567 PolarHBondContact O-NH2 2.8Å; Q561-A570 VanDerWaalsContact NE2-CB 3.25Å
562D78.9Confident87.8Confident162 Ų16248.9 Ų48.987%0.86626%0.255SS*.SBendtrans-61.6-46.6-178.2-59.9-39.5000112.4
563K82.4Confident87.7Confident156 Ų15652.1 Ų52.168%0.67827%0.272SS*.SBendtrans-83.7128.9-178.5-64.5-177.3-178178.80110.3Q561 H565 S566 R567Q561-K563 PolarHBondContact O-N 2.92Å; K563-H565 VanDerWaalsContact C-N 3.31Å; K563-H565 PolarHBondContact O-N 3.25Å; K563-S566 PolarHBondContact O-N 3.47Å; K563-S566 VanDerWaalsContact O-N 3.15Å; K563-R567 PolarHBondContact O-N 2.92Å; K563-R567 VanDerWaalsContact O-N 3.08Å
564L79.7Confident87.6Confident81 Ų8156 Ų5642%0.42430%0.298SS..Hα-helixtrans-51.8-49.4177.8177.462.2000111.7L496 S566 R567 L568L496-L564 HydrophobicContact CB-CD1 4.33Å; L496-L564 HydrophobicContact CD1-CD1 3.77Å; L496-L564 HydrophobicContact CD1-CD2 3.74Å; L496-L564 HydrophobicContact CD1-CG 4.23Å; L564-S566 PolarHBondContact O-N 3.35Å; L564-R567 WeakPolarHBondContact O-CA 3.5Å; L564-R567 WeakPolarHBondContact O-CB 3.43Å; L564-R567 PolarHBondContact O-N 2.87Å; L564-L568 HydrophobicContact CD1-CD1 4.34Å; L564-L568 HydrophobicContact CD1-CD2 4.08Å; L564-L568 HydrophobicContact CD1-CG 4.1Å; L564-L568 HydrophobicContact CG-CD1 4.25Å; L564-L568 HydrophobicContact CG-CG 4.35Å; L564-L568 WeakPolarHBondContact O-CG 3.2Å; L564-L568 PolarHBondContact O-N 3.3Å
565H81.6Confident87.6Confident83 Ų8359.1 Ų59.138%0.38433%0.325SS..Hα-helixtrans-55.5-49.4179.3179.275.1000112.3K563 R567 L568 S569K563-H565 VanDerWaalsContact C-N 3.31Å; K563-H565 PolarHBondContact O-N 3.25Å; H565-R567 PolarHBondContact O-N 3.12Å; H565-L568 PolarHBondContact O-N 2.82Å; H565-S569 WeakPolarHBondContact O-CB 3.22Å; H565-S569 PolarHBondContact O-N 2.95Å; H565-S569 PolarHBondContact O-OG 3.21Å
566S86.7Confident87.9Confident54 Ų5459.8 Ų59.838%0.37832%0.323SS..Hα-helixtrans-60.2-33.7177.7-57.70000112.7K563 L564 A570K563-S566 PolarHBondContact O-N 3.47Å; K563-S566 VanDerWaalsContact O-N 3.15Å; L564-S566 PolarHBondContact O-N 3.35Å; S566-A570 WeakPolarHBondContact O-CB 3.39Å; S566-A570 PolarHBondContact O-N 3.42Å
567R86.5Confident88.1Confident43 Ų4364.3 Ų64.316%0.16234%0.341CS..Hα-helixtrans-68.1-48.4175.6-165.9-175.5-55129.36.1112.1S497 F559 Q561 K563 L564 H565 S569 A570 I571S497-R567 WeakPolarHBondContact OG-CD 3.32Å; F559-R567 HydrophobicContact CB-CG 3.84Å; F559-R567 VanDerWaalsContact O-CD 3.24Å; F559-R567 WeakPolarHBondContact O-CD 3.49Å; F559-R567 WeakPolarHBondContact O-CG 3.2Å; Q561-R567 HydrophobicContact CB-CB 4.21Å; Q561-R567 PolarHBondContact O-NE 3.41Å; Q561-R567 PolarHBondContact O-NH2 2.8Å; K563-R567 PolarHBondContact O-N 2.92Å; K563-R567 VanDerWaalsContact O-N 3.08Å; L564-R567 WeakPolarHBondContact O-CA 3.5Å; L564-R567 WeakPolarHBondContact O-CB 3.43Å; L564-R567 PolarHBondContact O-N 2.87Å; H565-R567 PolarHBondContact O-N 3.12Å; R567-S569 VanDerWaalsContact C-N 3.34Å; R567-S569 PolarHBondContact O-N 2.83Å; R567-A570 WeakPolarHBondContact O-CB 3.36Å; R567-A570 PolarHBondContact O-N 3.36Å; R567-A570 VanDerWaalsContact O-N 3.16Å; R567-I571 WeakPolarHBondContact O-CG1 3.28Å; R567-I571 PolarHBondContact O-N 2.91Å
568L87.1Confident88.2Confident7 Ų764 Ų644%0.03734%0.339CS..Hα-helixtrans-62.8-42.9178.4-56.8-175.3000111.3L496 L504 L518 L564 H565 A570 I571 I572L496-L568 HydrophobicContact CB-CD2 3.79Å; L496-L568 HydrophobicContact CD1-CD1 4.28Å; L504-L568 HydrophobicContact CD1-CD2 4.15Å; L504-L568 HydrophobicContact CD2-CD2 4.19Å; L518-L568 HydrophobicContact CD1-CD1 4.39Å; L518-L568 HydrophobicContact CD2-CD1 4.39Å; L564-L568 HydrophobicContact CD1-CD1 4.34Å; L564-L568 HydrophobicContact CD1-CD2 4.08Å; L564-L568 HydrophobicContact CD1-CG 4.1Å; L564-L568 HydrophobicContact CG-CD1 4.25Å; L564-L568 HydrophobicContact CG-CG 4.35Å; L564-L568 WeakPolarHBondContact O-CG 3.2Å; L564-L568 PolarHBondContact O-N 3.3Å; H565-L568 PolarHBondContact O-N 2.82Å; L568-A570 VanDerWaalsContact C-N 3.28Å; L568-A570 PolarHBondContact O-N 3.41Å; L568-I571 HydrophobicContact CD2-CD1 4.35Å; L568-I571 PolarHBondContact O-N 3.25Å; L568-I572 PolarHBondContact O-N 2.74Å
569S87.3Confident88.2Confident16 Ų1666.9 Ų66.911%0.11236%0.359CS..Hα-helixtrans-60.9-37.8174.8-58.20000111.9F522 H565 R567 N573F522-S569 VanDerWaalsContact CE1-OG 3.23Å; F522-S569 WeakPolarHBondContact CE1-OG 3.4Å; H565-S569 WeakPolarHBondContact O-CB 3.22Å; H565-S569 PolarHBondContact O-N 2.95Å; H565-S569 PolarHBondContact O-OG 3.21Å; R567-S569 VanDerWaalsContact C-N 3.34Å; R567-S569 PolarHBondContact O-N 2.83Å; S569-N573 WeakPolarHBondContact O-CB 3.36Å; S569-N573 PolarHBondContact O-N 3.05Å
570A91.4Very high88.1Confident5 Ų568.4 Ų68.44%0.04137%0.368CS..Hα-helixtrans-69.5-35.4176.600000113.4F559 Q561 S566 R567 L568 I572 V576 R598F559-A570 HydrophobicContact CD1-CB 3.75Å; F559-A570 HydrophobicContact CE1-CB 4.27Å; F559-A570 VanDerWaalsContact CE1-O 3.23Å; F559-A570 WeakPolarHBondContact CE1-O 3.29Å; Q561-A570 VanDerWaalsContact NE2-CB 3.25Å; S566-A570 WeakPolarHBondContact O-CB 3.39Å; S566-A570 PolarHBondContact O-N 3.42Å; R567-A570 WeakPolarHBondContact O-CB 3.36Å; R567-A570 PolarHBondContact O-N 3.36Å; R567-A570 VanDerWaalsContact O-N 3.16Å; L568-A570 VanDerWaalsContact C-N 3.28Å; L568-A570 PolarHBondContact O-N 3.41Å; A570-I572 VanDerWaalsContact C-N 3.32Å; A570-I572 PolarHBondContact O-N 3.12Å; A570-V576 HydrophobicContact CB-CG1 4.13Å; A570-V576 HydrophobicContact CB-CG2 4.44Å; A570-R598 PolarHBondContact O-NH2 3.31Å
571I92Very high88.4Confident0 Ų067 Ų670%036%0.364CS..Hα-helixtrans-59.5-45.4175.7-72.2165000110.4P501 L504 W543 F559 R567 L568 R598P501-I571 HydrophobicContact CG-CG2 4.04Å; L504-I571 HydrophobicContact CD1-CB 4Å; L504-I571 HydrophobicContact CD1-CD1 4.09Å; L504-I571 HydrophobicContact CD1-CG2 3.62Å; W543-I571 HydrophobicContact CH2-CG2 4.48Å; W543-I571 HydrophobicContact CZ2-CG2 3.79Å; F559-I571 HydrophobicContact CB-CG1 4.08Å; F559-I571 HydrophobicContact CD1-CG1 4.35Å; F559-I571 HydrophobicContact CD2-CB 4.44Å; F559-I571 HydrophobicContact CD2-CD1 4.41Å; F559-I571 HydrophobicContact CD2-CG1 3.42Å; F559-I571 VanDerWaalsContact CD2-CG1 3.42Å; F559-I571 HydrophobicContact CE2-CB 4.45Å; F559-I571 HydrophobicContact CE2-CG1 3.87Å; F559-I571 HydrophobicContact CG-CG1 3.69Å; F559-I571 HydrophobicContact CZ-CG1 4.47Å; R567-I571 WeakPolarHBondContact O-CG1 3.28Å; R567-I571 PolarHBondContact O-N 2.91Å; L568-I571 HydrophobicContact CD2-CD1 4.35Å; L568-I571 PolarHBondContact O-N 3.25Å; I571-R598 PolarHBondContact O-NE 3.33Å
572I90.1Very high88.6Confident21 Ų2168.7 Ų68.711%0.10839%0.388CS..Hα-helixtrans-81.9-38.1-175-63.7170.6000112.1P501 L504 E505 F523 L568 A570 P574P501-I572 HydrophobicContact CB-CG1 4.43Å; L504-I572 HydrophobicContact CB-CD1 3.52Å; L504-I572 HydrophobicContact CB-CG1 4.02Å; L504-I572 HydrophobicContact CD1-CD1 4.25Å; L504-I572 HydrophobicContact CD1-CG1 4.17Å; E505-I572 HydrophobicContact CG-CD1 4.15Å; E505-I572 HydrophobicContact CG-CG1 4.38Å; E505-I572 HydrophobicContact CG-CG2 3.93Å; E505-I572 WeakPolarHBondContact OE1-CG2 3.4Å; F523-I572 HydrophobicContact CD1-CD1 3.47Å; F523-I572 VanDerWaalsContact CD1-CD1 3.47Å; F523-I572 HydrophobicContact CE1-CD1 3.34Å; L568-I572 PolarHBondContact O-N 2.74Å; A570-I572 VanDerWaalsContact C-N 3.32Å; A570-I572 PolarHBondContact O-N 3.12Å; I572-P574 VanDerWaalsContact O-CD 3.24Å; I572-P574 WeakPolarHBondContact O-CD 3.35Å
573N90.8Very high89Confident67 Ų6763.2 Ų63.236%0.35836%0.358SS..  trans-68.5113.2-172.8-176.8-12.8000112.6S569 S575 V576 R598S569-N573 WeakPolarHBondContact O-CB 3.36Å; S569-N573 PolarHBondContact O-N 3.05Å; N573-S575 PolarHBondContact O-N 2.97Å; N573-S575 VanDerWaalsContact OD1-CB 3.25Å; N573-S575 WeakPolarHBondContact OD1-CB 3.44Å; N573-S575 PolarHBondContact OD1-N 3.23Å; N573-S575 PolarHBondContact OD1-OG 2.69Å; N573-V576 HydrophobicContact CB-CG2 4.03Å; N573-V576 PolarHBondContact O-N 3.28Å; N573-V576 VanDerWaalsContact O-N 3.09Å; N573-R598 PolarHBondContact O-NE 2.88Å; N573-R598 PolarHBondContact O-NH2 3.18Å
574P90.1Very high88.9Confident102 Ų10265.7 Ų65.766%0.66237%0.369SS*.THydrogen-bonded Turntrans-66.5-22.7-178.827.9-34.9000113.6I572 V576I572-P574 VanDerWaalsContact O-CD 3.24Å; I572-P574 WeakPolarHBondContact O-CD 3.35Å; P574-V576 PolarHBondContact O-N 3.47Å
575S91Very high89.2Confident102 Ų10263.1 Ų63.171%0.71336%0.355SS*.THydrogen-bonded Turntrans-69.3-20.1175.3-52.10000112.7N573 K577N573-S575 PolarHBondContact O-N 2.97Å; N573-S575 VanDerWaalsContact OD1-CB 3.25Å; N573-S575 WeakPolarHBondContact OD1-CB 3.44Å; N573-S575 PolarHBondContact OD1-N 3.23Å; N573-S575 PolarHBondContact OD1-OG 2.69Å; S575-K577 PolarHBondContact O-N 3.03Å
576V92.4Very high89.6Confident47 Ų4767.7 Ų67.729%0.28537%0.374SS..SBendtrans-82.3104.4174.1-177.30000109F559 A570 N573 P574 R598F559-V576 HydrophobicContact CE1-CG1 4.37Å; A570-V576 HydrophobicContact CB-CG1 4.13Å; A570-V576 HydrophobicContact CB-CG2 4.44Å; N573-V576 HydrophobicContact CB-CG2 4.03Å; N573-V576 PolarHBondContact O-N 3.28Å; N573-V576 VanDerWaalsContact O-N 3.09Å; P574-V576 PolarHBondContact O-N 3.47Å; V576-R598 VanDerWaalsContact O-CZ 3.32Å; V576-R598 PolarHBondContact O-NH1 2.89Å; V576-R598 PolarHBondContact O-NH2 3.45Å
577K92.6Very high89.9Confident192 Ų19266.7 Ų66.784%0.83537%0.367SS*.  trans-70.7136.3176.3-65-174.2179.4-177.80110.8S575S575-K577 PolarHBondContact O-N 3.03Å
578I94.1Very high90.3Very high28 Ų2864.8 Ų64.814%0.14436%0.36CS..  trans-77.7124.6171.4-57176.4000107.5W543 Y550 P558 F559 L580 L596W543-I578 HydrophobicContact CH2-CD1 4.34Å; Y550-I578 HydrophobicContact CE2-CG2 4.22Å; P558-I578 HydrophobicContact CB-CG2 4Å; F559-I578 HydrophobicContact CE1-CG1 4.17Å; F559-I578 HydrophobicContact CE2-CD1 4.16Å; F559-I578 HydrophobicContact CE2-CG1 4.31Å; F559-I578 HydrophobicContact CZ-CD1 3.79Å; F559-I578 HydrophobicContact CZ-CG1 3.59Å; I578-L580 HydrophobicContact CG2-CD2 4.27Å; I578-L580 HydrophobicContact CG2-CG 4.13Å; I578-L580 PolarHBondContact O-N 2.76Å; I578-L596 HydrophobicContact CD1-CB 3.82Å; I578-L596 HydrophobicContact CD1-CD1 4.48Å; I578-L596 HydrophobicContact CG2-CD1 4.23Å
579S93.8Very high90.7Very high78 Ų7867.2 Ų67.255%0.54537%0.369SS..  trans-73.6109.3176.4-1760000109.7Y550 P581Y550-S579 VanDerWaalsContact CE2-O 3.22Å; Y550-S579 WeakPolarHBondContact CE2-O 3.5Å; Y550-S579 PolarHBondContact OH-O 3.41Å; S579-P581 VanDerWaalsContact C-CD 3.48Å; S579-P581 WeakPolarHBondContact O-CD 3.11Å
580L92.6Very high91.1Very high37 Ų3771.1 Ų71.119%0.19438%0.384CS..  trans-117.680.1176.9-67.5170.7000110Y550 Y554 I578 Y589 L592 E593 L596Y550-L580 HydrophobicContact CD2-CD2 3.85Å; Y550-L580 HydrophobicContact CE2-CD2 3.79Å; Y554-L580 HydrophobicContact CE2-CD2 4.27Å; I578-L580 HydrophobicContact CG2-CD2 4.27Å; I578-L580 HydrophobicContact CG2-CG 4.13Å; I578-L580 PolarHBondContact O-N 2.76Å; L580-Y589 HydrophobicContact CB-CE2 4.18Å; L580-Y589 PolarHBondContact O-OH 3.27Å; L580-L592 HydrophobicContact CD2-CB 4.2Å; L580-L592 HydrophobicContact CD2-CD1 4.38Å; L580-E593 HydrophobicContact CD1-CG 4.07Å; L580-L596 HydrophobicContact CD2-CD1 4.39Å
581P91.3Very high91.4Very high67 Ų6770.9 Ų70.944%0.43538%0.382SS..  trans-57.3141.4172.9-22.732.6000111.4Y554 S579Y554-P581 HydrophobicContact CE1-CB 4.1Å; Y554-P581 HydrophobicContact CE1-CG 4.08Å; Y554-P581 PolarHBondContact OH-O 3.49Å; S579-P581 VanDerWaalsContact C-CD 3.48Å; S579-P581 WeakPolarHBondContact O-CD 3.11Å
582A88.7Confident91.7Very high94 Ų9470.9 Ų70.978%0.77738%0.382SS*.  trans-59139.2-179.600000111.9
583I86.8Confident92.1Very high48 Ų4874.1 Ų74.125%0.24640%0.397CS..  trans-125.1156.3175.265.7177.4000110.1V553 Y554 N585 I588 Y589 L592V553-I583 HydrophobicContact CG1-CD1 4.09Å; V553-I583 HydrophobicContact CG1-CG2 3.82Å; Y554-I583 HydrophobicContact CE1-CG2 4.04Å; I583-N585 VanDerWaalsContact C-N 3.34Å; I583-N585 PolarHBondContact O-N 2.72Å; I583-I588 HydrophobicContact CD1-CB 4Å; I583-I588 HydrophobicContact CD1-CG2 3.61Å; I583-Y589 HydrophobicContact CG1-CD2 4.02Å; I583-Y589 HydrophobicContact CG1-CG 4.36Å; I583-L592 HydrophobicContact CD1-CD1 4.48Å
584K81.3Confident92.4Very high208 Ų20874.1 Ų74.190%0.90439%0.392SS*.SBendtrans-61.6-39.1-176.5-67.1-176.8178-178.70113.2K586K584-K586 PolarHBondContact O-N 3Å
585N85.6Confident92.8Very high26 Ų2669.3 Ų69.314%0.13936%0.36CS..  trans-82.6101.3-179.3-171-47.3000110.4T430 I583 S587 I588 Y589 Y614T430-N585 HydrophobicContact CG2-CB 3.65Å; T430-N585 WeakPolarHBondContact CG2-ND2 3.47Å; I583-N585 VanDerWaalsContact C-N 3.34Å; I583-N585 PolarHBondContact O-N 2.72Å; N585-S587 VanDerWaalsContact C-N 3.27Å; N585-S587 PolarHBondContact O-N 3.09Å; N585-S587 WeakPolarHBondContact OD1-CB 3.39Å; N585-S587 PolarHBondContact OD1-N 3.34Å; N585-I588 HydrophobicContact CB-CB 4.17Å; N585-I588 HydrophobicContact CB-CG1 4.19Å; N585-I588 PolarHBondContact O-N 3.08Å; N585-I588 PolarHBondContact OD1-N 3.35Å; N585-Y589 PolarHBondContact O-N 3.45Å; N585-Y614 PolarHBondContact ND2-O 3.49Å
586K90.6Very high93.1Very high179 Ų17965 Ų6578%0.77833%0.329SS*.Hα-helixtrans-61.4-33.1-179-65.5-178.2-180175.70112.9K584 Y589 K590K584-K586 PolarHBondContact O-N 3Å; K586-Y589 PolarHBondContact O-N 3.06Å; K586-K590 VanDerWaalsContact O-CB 3.32Å; K586-K590 WeakPolarHBondContact O-CB 3.25Å; K586-K590 PolarHBondContact O-N 2.94Å
587S92.7Very high93.3Very high33 Ų3364 Ų6423%0.23132%0.324CS..Hα-helixtrans-72.2-40-179.8-57.30000112.1N585 K590 A591 E613N585-S587 VanDerWaalsContact C-N 3.27Å; N585-S587 PolarHBondContact O-N 3.09Å; N585-S587 WeakPolarHBondContact OD1-CB 3.39Å; N585-S587 PolarHBondContact OD1-N 3.34Å; S587-K590 PolarHBondContact O-N 3.1Å; S587-A591 WeakPolarHBondContact O-CB 3.35Å; S587-A591 PolarHBondContact O-N 3.34Å; S587-E613 VanDerWaalsContact CB-O 3.25Å; S587-E613 WeakPolarHBondContact CB-O 3.44Å; S587-E613 PolarHBondContact OG-O 2.7Å
588I93.7Very high93.4Very high3 Ų357.2 Ų57.22%0.01529%0.293CS..Hα-helixtrans-65.4-41.3171.3-66.3-66.6000110.7I433 V434 W437 L549 V553 I583 N585 A591 L592 Y614I433-I588 HydrophobicContact CG2-CD1 4.07Å; I433-I588 HydrophobicContact CG2-CG1 4.48Å; I433-I588 HydrophobicContact CG2-CG2 4.24Å; V434-I588 HydrophobicContact CG2-CD1 3.97Å; V434-I588 HydrophobicContact CG2-CG1 4Å; W437-I588 HydrophobicContact CG-CD1 4.4Å; L549-I588 HydrophobicContact CD1-CD1 4.48Å; L549-I588 HydrophobicContact CD1-CG2 4.14Å; V553-I588 HydrophobicContact CG2-CG2 3.85Å; I583-I588 HydrophobicContact CD1-CB 4Å; I583-I588 HydrophobicContact CD1-CG2 3.61Å; N585-I588 HydrophobicContact CB-CB 4.17Å; N585-I588 HydrophobicContact CB-CG1 4.19Å; N585-I588 PolarHBondContact O-N 3.08Å; N585-I588 PolarHBondContact OD1-N 3.35Å; I588-A591 PolarHBondContact O-N 2.66Å; I588-L592 PolarHBondContact O-N 3.23Å; I588-Y614 HydrophobicContact CD1-CD1 3.48Å; I588-Y614 VanDerWaalsContact CD1-CD1 3.48Å; I588-Y614 HydrophobicContact CD1-CE1 3.82Å; I588-Y614 HydrophobicContact CD1-CG 4.4Å; I588-Y614 HydrophobicContact CG1-CD1 4Å
589Y95.3Very high93.3Very high58 Ų5858.8 Ų58.823%0.22730%0.301CS..Hα-helixtrans-60.6-46.7176.1-172.9-94.8000111.2L580 I583 N585 K586 A591 L592 E593L580-Y589 HydrophobicContact CB-CE2 4.18Å; L580-Y589 PolarHBondContact O-OH 3.27Å; I583-Y589 HydrophobicContact CG1-CD2 4.02Å; I583-Y589 HydrophobicContact CG1-CG 4.36Å; N585-Y589 PolarHBondContact O-N 3.45Å; K586-Y589 PolarHBondContact O-N 3.06Å; Y589-A591 VanDerWaalsContact C-N 3.33Å; Y589-A591 PolarHBondContact O-N 2.75Å; Y589-L592 WeakPolarHBondContact O-CB 3.06Å; Y589-L592 PolarHBondContact O-N 3.13Å; Y589-E593 HydrophobicContact CD1-CG 4.22Å; Y589-E593 HydrophobicContact CE1-CG 3.86Å; Y589-E593 WeakPolarHBondContact CE1-OE1 3.31Å; Y589-E593 WeakPolarHBondContact CE1-OE2 3.42Å; Y589-E593 PolarHBondContact O-N 3.34Å
590K97Very high93.1Very high99 Ų9956.2 Ų56.243%0.4328%0.28SS..Hα-helixtrans-59.7-42.2174.2-171.8-175.7179.2-171.40111.8K586 S587 L592 E593 R594 Y612K586-K590 VanDerWaalsContact O-CB 3.32Å; K586-K590 WeakPolarHBondContact O-CB 3.25Å; K586-K590 PolarHBondContact O-N 2.94Å; S587-K590 PolarHBondContact O-N 3.1Å; K590-L592 VanDerWaalsContact C-N 3.34Å; K590-L592 PolarHBondContact O-N 2.99Å; K590-E593 PolarHBondContact O-N 3Å; K590-R594 HydrophobicContact CG-CG 4.19Å; K590-R594 VanDerWaalsContact O-CB 3.3Å; K590-R594 WeakPolarHBondContact O-CB 3.27Å; K590-R594 WeakPolarHBondContact O-CG 3.25Å; K590-R594 PolarHBondContact O-N 2.77Å; K590-Y612 HydrophobicContact CB-CE2 4.3Å; K590-Y612 HydrophobicContact CD-CD2 4.31Å; K590-Y612 HydrophobicContact CD-CE1 4.46Å; K590-Y612 HydrophobicContact CD-CE2 3.77Å; K590-Y612 WeakPolarHBondContact CE-OH 3.38Å; K590-Y612 HydrophobicContact CG-CE2 3.79Å
591A98.1Very high93.1Very high0 Ų059.1 Ų59.10%030%0.296CS..Hα-helixtrans-62.2-38.8176.600000112.4W437 L549 S587 I588 Y589 S595 L609 Y612 Y614W437-A591 HydrophobicContact CZ2-CB 4.12Å; L549-A591 HydrophobicContact CD2-CB 4.01Å; S587-A591 WeakPolarHBondContact O-CB 3.35Å; S587-A591 PolarHBondContact O-N 3.34Å; I588-A591 PolarHBondContact O-N 2.66Å; Y589-A591 VanDerWaalsContact C-N 3.33Å; Y589-A591 PolarHBondContact O-N 2.75Å; A591-S595 WeakPolarHBondContact O-CB 3.23Å; A591-S595 PolarHBondContact O-N 2.99Å; A591-S595 PolarHBondContact O-OG 3.09Å; A591-L609 HydrophobicContact CB-CD2 4.06Å; A591-Y612 HydrophobicContact CB-CD2 4.4Å; A591-Y614 HydrophobicContact CB-CE1 3.87Å
592L97.9Very high93.2Very high0 Ų061.5 Ų61.50%030%0.301CS..Hα-helixtrans-60.7-51.8171.7-78.4167.6000111.6L549 Y550 V553 Y554 L580 I583 I588 Y589 K590 R594 S595 L596L549-L592 HydrophobicContact CB-CD2 4.02Å; L549-L592 HydrophobicContact CD2-CD2 3.9Å; L549-L592 HydrophobicContact CD2-CG 3.81Å; L549-L592 HydrophobicContact CG-CD2 3.7Å; L549-L592 HydrophobicContact CG-CG 3.97Å; Y550-L592 HydrophobicContact CD2-CD2 4.38Å; V553-L592 HydrophobicContact CB-CD1 4.46Å; V553-L592 HydrophobicContact CG1-CD1 4.37Å; V553-L592 HydrophobicContact CG2-CD1 4.18Å; Y554-L592 HydrophobicContact CE2-CD1 3.85Å; L580-L592 HydrophobicContact CD2-CB 4.2Å; L580-L592 HydrophobicContact CD2-CD1 4.38Å; I583-L592 HydrophobicContact CD1-CD1 4.48Å; I588-L592 PolarHBondContact O-N 3.23Å; Y589-L592 WeakPolarHBondContact O-CB 3.06Å; Y589-L592 PolarHBondContact O-N 3.13Å; K590-L592 VanDerWaalsContact C-N 3.34Å; K590-L592 PolarHBondContact O-N 2.99Å; L592-R594 VanDerWaalsContact C-N 3.26Å; L592-R594 PolarHBondContact O-N 2.86Å; L592-S595 PolarHBondContact O-N 2.77Å; L592-L596 HydrophobicContact CD2-CD1 4.35Å; L592-L596 WeakPolarHBondContact O-CB 3.43Å; L592-L596 PolarHBondContact O-N 3.16Å
593E97.7Very high93.6Very high89 Ų8957.1 Ų57.142%0.41626%0.264SS..Hα-helixtrans-58.3-39.6-179.8-71.6-175.4130.600112.2L580 Y589 K590 V597L580-E593 HydrophobicContact CD1-CG 4.07Å; Y589-E593 HydrophobicContact CD1-CG 4.22Å; Y589-E593 HydrophobicContact CE1-CG 3.86Å; Y589-E593 WeakPolarHBondContact CE1-OE1 3.31Å; Y589-E593 WeakPolarHBondContact CE1-OE2 3.42Å; Y589-E593 PolarHBondContact O-N 3.34Å; K590-E593 PolarHBondContact O-N 3Å; E593-V597 WeakPolarHBondContact O-CG2 3.32Å
594R98Very high94.2Very high67 Ų6754.8 Ų54.825%0.25325%0.253SS..Hα-helixtrans-82-24-176.8-66.6-67.4-56.7131.25.1113.6K590 L592 E602 A604 E608 L609 Y612K590-R594 HydrophobicContact CG-CG 4.19Å; K590-R594 VanDerWaalsContact O-CB 3.3Å; K590-R594 WeakPolarHBondContact O-CB 3.27Å; K590-R594 WeakPolarHBondContact O-CG 3.25Å; K590-R594 PolarHBondContact O-N 2.77Å; L592-R594 VanDerWaalsContact C-N 3.26Å; L592-R594 PolarHBondContact O-N 2.86Å; R594-E602 VanDerWaalsContact CZ-O 3.25Å; R594-E602 PolarHBondContact NH1-O 2.97Å; R594-E602 PolarHBondContact NH2-O 2.79Å; R594-A604 HydrophobicContact CB-CB 3.88Å; R594-A604 PolarHBondContact O-N 3.47Å; R594-E608 IonicContact CZ-OE1 2.94Å; R594-E608 IonicContact NE-OE1 2.77Å; R594-E608 PolarHBondContact NE-OE1 3.02Å; R594-E608 IonicContact NH2-OE1 3.52Å; R594-E608 PolarHBondContact NH2-OE1 3.03Å; R594-E608 IonicContact NH2-OE2 3.34Å; R594-E608 PolarHBondContact NH2-OE2 2.83Å; R594-E608 VanDerWaalsContact NH2-OE2 3.09Å; R594-L609 HydrophobicContact CB-CD2 4.43Å; R594-Y612 WeakPolarHBondContact CG-OH 2.97Å
595S98.3Very high94.9Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-84.8-38.5176.6-56.30000112.5A591 L592 V597 R603A591-S595 WeakPolarHBondContact O-CB 3.23Å; A591-S595 PolarHBondContact O-N 2.99Å; A591-S595 PolarHBondContact O-OG 3.09Å; L592-S595 PolarHBondContact O-N 2.77Å; S595-V597 VanDerWaalsContact C-N 3.25Å; S595-V597 PolarHBondContact O-N 3.32Å; S595-R603 WeakPolarHBondContact O-CD 3.33Å; S595-R603 WeakPolarHBondContact O-CG 3.46Å
596L97.8Very high95.5Very high12 Ų1245.7 Ų45.76%0.06322%0.217CC..SBendtrans-90.334.9-177.4-63.9177.2000113.2W543 V547 Y550 I578 L580 L592W543-L596 HydrophobicContact CD2-CD2 4.43Å; W543-L596 HydrophobicContact CE3-CD2 4.47Å; V547-L596 HydrophobicContact CG2-CD2 3.97Å; Y550-L596 HydrophobicContact CD2-CD1 3.95Å; I578-L596 HydrophobicContact CD1-CB 3.82Å; I578-L596 HydrophobicContact CD1-CD1 4.48Å; I578-L596 HydrophobicContact CG2-CD1 4.23Å; L580-L596 HydrophobicContact CD2-CD1 4.39Å; L592-L596 HydrophobicContact CD2-CD1 4.35Å; L592-L596 WeakPolarHBondContact O-CB 3.43Å; L592-L596 PolarHBondContact O-N 3.16Å
597V96.2Very high95.9Very high27 Ų2741.1 Ų41.116%0.16420%0.201CC..  trans-85.7125.9172-177.40000109.2E593 S595 N599 E602 R603E593-V597 WeakPolarHBondContact O-CG2 3.32Å; S595-V597 VanDerWaalsContact C-N 3.25Å; S595-V597 PolarHBondContact O-N 3.32Å; V597-N599 HydrophobicContact CG1-CB 4.46Å; V597-E602 HydrophobicContact CG1-CB 3.89Å; V597-R603 HydrophobicContact CB-CB 4.1Å; V597-R603 HydrophobicContact CB-CG 4.33Å; V597-R603 PolarHBondContact O-NE 3.45Å; V597-R603 PolarHBondContact O-NH2 3.03Å; V597-R603 VanDerWaalsContact O-NH2 3.09Å
598R93.7Very high96.1Very high49 Ų4942.3 Ų42.319%0.18520%0.203CC..SBendtrans-65.2-47.1-179.8-70.8-171.617390-2.7112.3P501 W543 A570 I571 N573 V576 H600 R603P501-R598 HydrophobicContact CG-CB 4.23Å; P501-R598 HydrophobicContact CG-CG 4Å; W543-R598 HydrophobicContact CH2-CG 4.24Å; W543-R598 HydrophobicContact CZ3-CG 4.1Å; A570-R598 PolarHBondContact O-NH2 3.31Å; I571-R598 PolarHBondContact O-NE 3.33Å; N573-R598 PolarHBondContact O-NE 2.88Å; N573-R598 PolarHBondContact O-NH2 3.18Å; V576-R598 VanDerWaalsContact O-CZ 3.32Å; V576-R598 PolarHBondContact O-NH1 2.89Å; V576-R598 PolarHBondContact O-NH2 3.45Å; R598-H600 PolarHBondContact O-N 3.23Å; R598-H600 VanDerWaalsContact O-N 3.09Å; R598-R603 PolarHBondContact O-NH2 3.35Å
599N91.6Very high96.3Very high60 Ų6042.2 Ų42.232%0.32120%0.202SC..SBendtrans-65.9109.7174.2-175.8-3.2000110.3V597 L601 E602 R603V597-N599 HydrophobicContact CG1-CB 4.46Å; N599-L601 PolarHBondContact O-N 3.43Å; N599-L601 WeakPolarHBondContact OD1-CB 3.42Å; N599-L601 PolarHBondContact OD1-N 3.28Å; N599-E602 HydrophobicContact CB-CB 4.27Å; N599-E602 HydrophobicContact CB-CG 4.36Å; N599-E602 PolarHBondContact ND2-OE1 2.96Å; N599-E602 PolarHBondContact O-N 2.95Å; N599-E602 VanDerWaalsContact O-N 3.13Å; N599-R603 PolarHBondContact O-N 3.11Å
600H91Very high96.4Very high24 Ų2441.7 Ų41.711%0.11120%0.203CC..THydrogen-bonded Turntrans-64.4-23.1-178.373.187.3000113.3E502 K539 R598E502-H600 HydrophobicContact CG-CB 4.49Å; K539-H600 HydrophobicContact CB-CB 4.11Å; K539-H600 WeakPolarHBondContact CG-O 3.47Å; K539-H600 PolarHBondContact NZ-O 3.02Å; R598-H600 PolarHBondContact O-N 3.23Å; R598-H600 VanDerWaalsContact O-N 3.09Å
601L91.4Very high96.4Very high98 Ų9841.1 Ų41.151%0.51321%0.212SC..THydrogen-bonded Turntrans-69.5-36.6175.4-61.4175.9000111.4N599N599-L601 PolarHBondContact O-N 3.43Å; N599-L601 WeakPolarHBondContact OD1-CB 3.42Å; N599-L601 PolarHBondContact OD1-N 3.28Å
602E94.6Very high96.2Very high117 Ų11742.4 Ų42.455%0.54722%0.217SC..THydrogen-bonded Turntrans-87.2-22.1178.8-69.7168.7-147.700113.2R594 V597 N599R594-E602 VanDerWaalsContact CZ-O 3.25Å; R594-E602 PolarHBondContact NH1-O 2.97Å; R594-E602 PolarHBondContact NH2-O 2.79Å; V597-E602 HydrophobicContact CG1-CB 3.89Å; N599-E602 HydrophobicContact CB-CB 4.27Å; N599-E602 HydrophobicContact CB-CG 4.36Å; N599-E602 PolarHBondContact ND2-OE1 2.96Å; N599-E602 PolarHBondContact O-N 2.95Å; N599-E602 VanDerWaalsContact O-N 3.13Å
603R97.2Very high95.8Very high2 Ų247.5 Ų47.51%0.00824%0.241CC..SBendtrans-59.4142.6177.5-165.3-176.3-59147.96.4111.2E502 K539 I542 S595 V597 R598 N599E502-R603 IonicContact OE1-CZ 2.75Å; E502-R603 IonicContact OE1-NH1 2.7Å; E502-R603 PolarHBondContact OE1-NH1 3.36Å; E502-R603 IonicContact OE1-NH2 3.95Å; E502-R603 IonicContact OE2-CZ 3.34Å; E502-R603 IonicContact OE2-NH1 3.69Å; E502-R603 PolarHBondContact OE2-NH1 3.33Å; E502-R603 IonicContact OE2-NH2 3.68Å; E502-R603 PolarHBondContact OE2-NH2 3.14Å; K539-R603 VanDerWaalsContact C-NH1 3.29Å; K539-R603 WeakPolarHBondContact CE-O 3.39Å; K539-R603 PolarHBondContact NZ-O 3.43Å; K539-R603 VanDerWaalsContact O-CD 3.25Å; K539-R603 WeakPolarHBondContact O-CD 3.41Å; K539-R603 PolarHBondContact O-NH1 3.38Å; I542-R603 HydrophobicContact CG2-CG 4.17Å; S595-R603 WeakPolarHBondContact O-CD 3.33Å; S595-R603 WeakPolarHBondContact O-CG 3.46Å; V597-R603 HydrophobicContact CB-CB 4.1Å; V597-R603 HydrophobicContact CB-CG 4.33Å; V597-R603 PolarHBondContact O-NE 3.45Å; V597-R603 PolarHBondContact O-NH2 3.03Å; V597-R603 VanDerWaalsContact O-NH2 3.09Å; R598-R603 PolarHBondContact O-NH2 3.35Å; N599-R603 PolarHBondContact O-N 3.11Å
604A97.8Very high95.3Very high0 Ų044.1 Ų44.10%022%0.224CC..PPolyproline II helixtrans-61.2156.518000000113.5K539 I542 R594 E608 L609K539-A604 WeakPolarHBondContact CD-O 3.47Å; I542-A604 WeakPolarHBondContact CG1-O 3.4Å; I542-A604 WeakPolarHBondContact CG2-O 3.46Å; R594-A604 HydrophobicContact CB-CB 3.88Å; R594-A604 PolarHBondContact O-N 3.47Å; A604-E608 VanDerWaalsContact CA-OE2 3.25Å; A604-E608 WeakPolarHBondContact CA-OE2 3.49Å; A604-E608 HydrophobicContact CB-CB 4.26Å; A604-E608 HydrophobicContact CB-CG 4.27Å; A604-E608 VanDerWaalsContact CB-OE2 3.27Å; A604-E608 WeakPolarHBondContact CB-OE2 3.31Å; A604-L609 HydrophobicContact CB-CD1 4.35Å; A604-L609 HydrophobicContact CB-CD2 3.96Å; A604-L609 HydrophobicContact CB-CG 3.9Å
605S97.5Very high94.3Very high40 Ų4046.1 Ų46.128%0.2824%0.244SC..PPolyproline II helixtrans-89.6166.4165.767.80000111.1D607 E608 L609S605-D607 VanDerWaalsContact C-N 3.26Å; S605-D607 PolarHBondContact O-N 2.9Å; S605-E608 PolarHBondContact O-N 3.5Å; S605-E608 PolarHBondContact OG-N 2.99Å; S605-E608 VanDerWaalsContact OG-N 3.12Å; S605-L609 WeakPolarHBondContact O-CG 3.5Å; S605-L609 PolarHBondContact O-N 3.4Å; S605-L609 VanDerWaalsContact O-N 3.1Å
606V97.9Very high92.2Very high3 Ų349.1 Ų49.12%0.01827%0.265CS..Hα-helixtrans-61.1-37.2173.269.20000111.7L441 K445 H448 I542 L609 L610L441-V606 HydrophobicContact CB-CG2 4.28Å; L441-V606 HydrophobicContact CD2-CG2 4.03Å; L441-V606 WeakPolarHBondContact O-CG2 3.48Å; K445-V606 HydrophobicContact CB-CG1 4.21Å; K445-V606 HydrophobicContact CB-CG2 3.91Å; H448-V606 HydrophobicContact CB-CG1 4.48Å; I542-V606 HydrophobicContact CD1-CB 3.93Å; V606-L609 PolarHBondContact O-N 3.3Å; V606-L610 HydrophobicContact CG2-CD1 4.1Å; V606-L610 WeakPolarHBondContact O-CB 3.29Å; V606-L610 WeakPolarHBondContact O-CG 3.45Å; V606-L610 PolarHBondContact O-N 2.92Å
607D98Very high89.8Confident82 Ų8252.6 Ų52.644%0.43929%0.29SS..Hα-helixtrans-68-38178-56.7-61.2000112K445 S605 L610 S611K445-D607 IonicContact NZ-OD1 2.83Å; K445-D607 PolarHBondContact NZ-OD1 3.46Å; S605-D607 VanDerWaalsContact C-N 3.26Å; S605-D607 PolarHBondContact O-N 2.9Å; D607-L610 PolarHBondContact O-N 2.93Å; D607-S611 PolarHBondContact O-N 2.84Å; D607-S611 VanDerWaalsContact O-N 3.13Å
608E98.1Very high86.9Confident59 Ų5954.5 Ų54.528%0.27630%0.302SS..Hα-helixtrans-60.9-47.6172.7-176.2-170.2153.800110.2R594 A604 S605 L610 S611 Y612R594-E608 IonicContact CZ-OE1 2.94Å; R594-E608 IonicContact NE-OE1 2.77Å; R594-E608 PolarHBondContact NE-OE1 3.02Å; R594-E608 IonicContact NH2-OE1 3.52Å; R594-E608 PolarHBondContact NH2-OE1 3.03Å; R594-E608 IonicContact NH2-OE2 3.34Å; R594-E608 PolarHBondContact NH2-OE2 2.83Å; R594-E608 VanDerWaalsContact NH2-OE2 3.09Å; A604-E608 VanDerWaalsContact CA-OE2 3.25Å; A604-E608 WeakPolarHBondContact CA-OE2 3.49Å; A604-E608 HydrophobicContact CB-CB 4.26Å; A604-E608 HydrophobicContact CB-CG 4.27Å; A604-E608 VanDerWaalsContact CB-OE2 3.27Å; A604-E608 WeakPolarHBondContact CB-OE2 3.31Å; S605-E608 PolarHBondContact O-N 3.5Å; S605-E608 PolarHBondContact OG-N 2.99Å; S605-E608 VanDerWaalsContact OG-N 3.12Å; E608-L610 PolarHBondContact O-N 3.09Å; E608-S611 WeakPolarHBondContact O-CB 3.42Å; E608-S611 PolarHBondContact O-N 3.22Å; E608-S611 VanDerWaalsContact O-N 3.14Å; E608-S611 PolarHBondContact O-OG 3.3Å; E608-Y612 HydrophobicContact CG-CE1 3.99Å; E608-Y612 VanDerWaalsContact O-CD1 3.3Å; E608-Y612 WeakPolarHBondContact O-CD1 3.44Å; E608-Y612 WeakPolarHBondContact O-CE1 3.13Å; E608-Y612 PolarHBondContact OE1-OH 3.38Å
609L98.4Very high84.2Confident0 Ų055.9 Ų55.90%032%0.319CS..Hα-helixtrans-67.3-34.2-178.1-66.6171000112.8W437 L441 I542 A591 R594 A604 S605 V606 S611 Y612 Y614W437-L609 HydrophobicContact CH2-CD1 4.38Å; W437-L609 HydrophobicContact CZ2-CD1 4.02Å; W437-L609 HydrophobicContact CZ2-CD2 4.47Å; L441-L609 HydrophobicContact CD1-CB 3.91Å; L441-L609 HydrophobicContact CD2-CB 3.77Å; L441-L609 HydrophobicContact CD2-CD1 3.87Å; L441-L609 HydrophobicContact CD2-CG 4.49Å; I542-L609 HydrophobicContact CD1-CD1 4.39Å; I542-L609 HydrophobicContact CG2-CD1 3.68Å; A591-L609 HydrophobicContact CB-CD2 4.06Å; R594-L609 HydrophobicContact CB-CD2 4.43Å; A604-L609 HydrophobicContact CB-CD1 4.35Å; A604-L609 HydrophobicContact CB-CD2 3.96Å; A604-L609 HydrophobicContact CB-CG 3.9Å; S605-L609 WeakPolarHBondContact O-CG 3.5Å; S605-L609 PolarHBondContact O-N 3.4Å; S605-L609 VanDerWaalsContact O-N 3.1Å; V606-L609 PolarHBondContact O-N 3.3Å; L609-S611 VanDerWaalsContact C-N 3.28Å; L609-Y612 HydrophobicContact CD2-CE2 4.07Å; L609-Y614 VanDerWaalsContact O-CE2 3.25Å; L609-Y614 WeakPolarHBondContact O-CE2 3.14Å; L609-Y614 PolarHBondContact O-OH 2.76Å
610L96.6Very high81.4Confident47 Ų4755 Ų5525%0.24632%0.32CS..Hα-helixtrans-71.9-20.5174-76.9167.3000113.2L441 R442 K445 V606 D607 E608 Y612L441-L610 HydrophobicContact CB-CD1 4.46Å; L441-L610 HydrophobicContact CB-CD2 3.62Å; L441-L610 HydrophobicContact CB-CG 3.89Å; L441-L610 HydrophobicContact CD1-CD2 4.01Å; L441-L610 HydrophobicContact CD1-CG 4.18Å; L441-L610 HydrophobicContact CG-CD2 4.48Å; R442-L610 HydrophobicContact CG-CD2 4.34Å; K445-L610 HydrophobicContact CB-CD1 4.08Å; K445-L610 HydrophobicContact CD-CD1 3.43Å; K445-L610 VanDerWaalsContact CD-CD1 3.43Å; K445-L610 HydrophobicContact CG-CD1 4.33Å; V606-L610 HydrophobicContact CG2-CD1 4.1Å; V606-L610 WeakPolarHBondContact O-CB 3.29Å; V606-L610 WeakPolarHBondContact O-CG 3.45Å; V606-L610 PolarHBondContact O-N 2.92Å; D607-L610 PolarHBondContact O-N 2.93Å; E608-L610 PolarHBondContact O-N 3.09Å; L610-Y612 PolarHBondContact O-N 3.33Å
611S96Very high78.5Confident87 Ų8756.6 Ų56.661%0.60834%0.338SS*.THydrogen-bonded Turntrans-74.6-11.2177.178.10000114D607 E608 L609D607-S611 PolarHBondContact O-N 2.84Å; D607-S611 VanDerWaalsContact O-N 3.13Å; E608-S611 WeakPolarHBondContact O-CB 3.42Å; E608-S611 PolarHBondContact O-N 3.22Å; E608-S611 VanDerWaalsContact O-N 3.14Å; E608-S611 PolarHBondContact O-OG 3.3Å; L609-S611 VanDerWaalsContact C-N 3.28Å
612Y93.9Very high75.7Confident27 Ų2758.3 Ų58.311%0.10635%0.347CS..SBendtrans-79.4139.2-176.4-66.90.5000111.8K590 A591 R594 E608 L609 L610 Y614K590-Y612 HydrophobicContact CB-CE2 4.3Å; K590-Y612 HydrophobicContact CD-CD2 4.31Å; K590-Y612 HydrophobicContact CD-CE1 4.46Å; K590-Y612 HydrophobicContact CD-CE2 3.77Å; K590-Y612 WeakPolarHBondContact CE-OH 3.38Å; K590-Y612 HydrophobicContact CG-CE2 3.79Å; A591-Y612 HydrophobicContact CB-CD2 4.4Å; R594-Y612 WeakPolarHBondContact CG-OH 2.97Å; E608-Y612 HydrophobicContact CG-CE1 3.99Å; E608-Y612 VanDerWaalsContact O-CD1 3.3Å; E608-Y612 WeakPolarHBondContact O-CD1 3.44Å; E608-Y612 WeakPolarHBondContact O-CE1 3.13Å; E608-Y612 PolarHBondContact OE1-OH 3.38Å; L609-Y612 HydrophobicContact CD2-CE2 4.07Å; L610-Y612 PolarHBondContact O-N 3.33Å; Y612-Y614 HydrophobicContact CD2-CE1 4.41Å; Y612-Y614 VanDerWaalsContact O-CD2 3.3Å; Y612-Y614 WeakPolarHBondContact O-CD2 3.32Å; Y612-Y614 PolarHBondContact O-N 3.32Å
613E90.5Very high72.5Confident108 Ų10857.4 Ų57.451%0.50535%0.354SS..  trans-83.395.7172.2-171.2-177.616800110S587 V615 S617S587-E613 VanDerWaalsContact CB-O 3.25Å; S587-E613 WeakPolarHBondContact CB-O 3.44Å; S587-E613 PolarHBondContact OG-O 2.7Å; E613-V615 WeakPolarHBondContact CG-O 3.31Å; E613-S617 WeakPolarHBondContact OE1-CB 3.43Å; E613-S617 PolarHBondContact OE1-N 3.07Å; E613-S617 VanDerWaalsContact OE1-N 3.13Å; E613-S617 PolarHBondContact OE1-OG 3.36Å
614Y86.6Confident69.1Low17 Ų1768.2 Ų68.27%0.06739%0.394CS..  trans-80.9-29.3-177-68.9-73.8000114.6V434 W437 N585 I588 A591 L609 Y612V434-Y614 HydrophobicContact CG1-CG 4.47Å; W437-Y614 AromaticContact CD1-CE1 3.62Å; W437-Y614 AromaticContact CD1-CE2 3.91Å; W437-Y614 AromaticContact CD1-CZ 3.48Å; W437-Y614 VanDerWaalsContact CD1-CZ 3.48Å; W437-Y614 AromaticContact NE1-CE1 3.52Å; W437-Y614 AromaticContact NE1-CE2 3.91Å; W437-Y614 AromaticContact NE1-CZ 3.17Å; W437-Y614 PolarHBondContact NE1-OH 2.86Å; N585-Y614 PolarHBondContact ND2-O 3.49Å; I588-Y614 HydrophobicContact CD1-CD1 3.48Å; I588-Y614 VanDerWaalsContact CD1-CD1 3.48Å; I588-Y614 HydrophobicContact CD1-CE1 3.82Å; I588-Y614 HydrophobicContact CD1-CG 4.4Å; I588-Y614 HydrophobicContact CG1-CD1 4Å; A591-Y614 HydrophobicContact CB-CE1 3.87Å; L609-Y614 VanDerWaalsContact O-CE2 3.25Å; L609-Y614 WeakPolarHBondContact O-CE2 3.14Å; L609-Y614 PolarHBondContact O-OH 2.76Å; Y612-Y614 HydrophobicContact CD2-CE1 4.41Å; Y612-Y614 VanDerWaalsContact O-CD2 3.3Å; Y612-Y614 WeakPolarHBondContact O-CD2 3.32Å; Y612-Y614 PolarHBondContact O-N 3.32Å
615V76.7Confident67.7Low109 Ų10971.6 Ų71.666%0.66141%0.414SS*.SBendtrans-91.5109.5172-177.60000105.9V434 E613 S617V434-V615 HydrophobicContact CG1-CG2 4.07Å; E613-V615 WeakPolarHBondContact CG-O 3.31Å; V615-S617 PolarHBondContact O-N 3.01Å
616S55.9Low66.1Low64 Ų6473.3 Ų73.345%0.44842%0.421SS..  trans-60113.4175.557.20000109.1T618S616-T618 PolarHBondContact O-N 3.03Å; S616-T618 VanDerWaalsContact O-N 3.14Å
617S46.2Very low64.4Low84 Ų8477.2 Ų77.259%0.58744%0.444SS*.THydrogen-bonded Turntrans-57-18.6160.649.20000112.2E613 V615E613-S617 WeakPolarHBondContact OE1-CB 3.43Å; E613-S617 PolarHBondContact OE1-N 3.07Å; E613-S617 VanDerWaalsContact OE1-N 3.13Å; E613-S617 PolarHBondContact OE1-OG 3.36Å; V615-S617 PolarHBondContact O-N 3.01Å
618T36.4Very low62.4Low68 Ų6876.9 Ų76.942%0.41744%0.444SS..THydrogen-bonded Turntrans-108.47.5-161.623.50000117.5S616 A620 A621S616-T618 PolarHBondContact O-N 3.03Å; S616-T618 VanDerWaalsContact O-N 3.14Å; T618-A620 PolarHBondContact O-N 2.68Å; T618-A621 PolarHBondContact O-N 2.89Å
619S35.7Very low60.1Low77 Ų7778 Ų7854%0.53845%0.454SS..THydrogen-bonded Turntrans-64.3-10.5169.567.70000112.6M2M2-S619 VanDerWaalsContact CE-C 3.41Å; M2-S619 WeakPolarHBondContact CE-O 3.16Å
620A32.5Very low57.6Low43 Ų4383.2 Ų83.236%0.35549%0.485SS..THydrogen-bonded Turntrans-95.1-16.8178.300000118.2M2 T618 W624M2-A620 HydrophobicContact CE-CB 3.7Å; M2-A620 HydrophobicContact CG-CB 3.31Å; M2-A620 WeakPolarHBondContact SD-CA 3.45Å; M2-A620 HydrophobicContact SD-CB 3.63Å; T618-A620 PolarHBondContact O-N 2.68Å; A620-W624 PolarHBondContact O-NE1 3.41Å
621A31.8Very low54.8Low57 Ų5785.8 Ų85.847%0.47150%0.502SS..THydrogen-bonded Turntrans-102.6-37.1-175.900000112.1T618T618-A621 PolarHBondContact O-N 2.89Å
622D30.6Very low51.6Low134 Ų13485.7 Ų85.772%0.71749%0.494SS*.THydrogen-bonded Turntrans-100.63-166.3-65.7-14.9000114.8
623S27.6Very low48.1Very low97 Ų9790.6 Ų90.668%0.67853%0.526SS*.THydrogen-bonded Turntrans-102.410.7164.682.70000113
624W27Very low44.3Very low229 Ų22989 Ų8987%0.86753%0.528SS*.  trans-103.10168.8-69.178.3000108.9M2 A620M2-W624 PolarHBondContact SD-NE1 3.42Å; A620-W624 PolarHBondContact O-NE1 3.41Å

Retrieved 624 of 624 residues in 1123.5 ms (Link to these results)

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