A0A077Z722_TRITR Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I.

AlphaFold DB , UniProt , Accession A0A077Z722, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,298 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
1M35.8Very low66.5Low192 Ų19282.8 Ų82.895%0.94646%0.461SS*.  0-60.40-70.4-171173.300113.3S3 E4 P5M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.48Å; M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.38Å; M1-P5 WeakPolarHBondContact O-CD 3.48Å
2S43.7Very low67.7Low119 Ų11981.3 Ų81.383%0.83245%0.451SS*.  trans-70.9-20.3179.948.90000115.3
3S56.4Low69.4Low72 Ų7280.7 Ų80.750%0.50344%0.439SS..SBendtrans-94.8-19.6-176.2490000115.3M1 K7M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.48Å; S3-K7 PolarHBondContact O-N 3.35Å; S3-K7 VanDerWaalsContact O-N 3.15Å
4E56.2Low70.8Confident92 Ų9275.5 Ų75.543%0.4341%0.41SS..Hα-helixtrans-69-46.3-175.3-75.8136.1152.200114.9M1 A6 K7 L8M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.38Å; E4-A6 VanDerWaalsContact C-N 3.27Å; E4-A6 PolarHBondContact O-N 3.4Å; E4-K7 PolarHBondContact O-N 3.41Å; E4-L8 PolarHBondContact O-N 3.32Å
5P61.2Low71.7Confident74 Ų7472.3 Ų72.348%0.48139%0.394SS..Hα-helixtrans-61.2-36.9176.622.6-32.5000112M1 L8 D9M1-P5 WeakPolarHBondContact O-CD 3.48Å; P5-L8 WeakPolarHBondContact O-CB 3.42Å; P5-L8 PolarHBondContact O-N 2.57Å; P5-D9 PolarHBondContact O-N 3.33Å
6A75.1Confident72.6Confident57 Ų5775.4 Ų75.447%0.47140%0.398SS..Hα-helixtrans-63.5-44.3175.600000112.5E4 L8 D9 R10E4-A6 VanDerWaalsContact C-N 3.27Å; E4-A6 PolarHBondContact O-N 3.4Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 3.44Å; A6-D9 PolarHBondContact O-N 2.87Å; A6-R10 WeakPolarHBondContact O-CG 2.83Å; A6-R10 PolarHBondContact O-N 3.2Å; A6-R10 VanDerWaalsContact O-N 3.1Å
7K76.1Confident73.6Confident72 Ų7271.2 Ų71.231%0.31338%0.376SS..Hα-helixtrans-64.7-34.2174.6-78.2-162.7168.8-167.70112.3S3 E4 L11 D474 L475S3-K7 PolarHBondContact O-N 3.35Å; S3-K7 VanDerWaalsContact O-N 3.15Å; E4-K7 PolarHBondContact O-N 3.41Å; K7-L11 WeakPolarHBondContact O-CB 3.38Å; K7-L11 PolarHBondContact O-N 3.35Å; K7-D474 PolarHBondContact NZ-O 2.95Å; K7-D474 IonicContact NZ-OD2 2.68Å; K7-D474 PolarHBondContact NZ-OD2 3.21Å; K7-L475 HydrophobicContact CB-CD2 3.9Å; K7-L475 HydrophobicContact CD-CD2 4.03Å; K7-L475 HydrophobicContact CG-CD2 3.9Å
8L75Confident74.4Confident35 Ų3567.3 Ų67.318%0.18336%0.356CS..Hα-helixtrans-63.6-47.6173.2171.357.2000112E4 P5 A6 R10 L11 N12 F110E4-L8 PolarHBondContact O-N 3.32Å; P5-L8 WeakPolarHBondContact O-CB 3.42Å; P5-L8 PolarHBondContact O-N 2.57Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 3.44Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L11 VanDerWaalsContact O-N 3.16Å; L8-N12 WeakPolarHBondContact CD1-ND2 3.28Å; L8-N12 WeakPolarHBondContact O-CB 3.24Å; L8-N12 VanDerWaalsContact O-CG 3.25Å; L8-N12 PolarHBondContact O-N 3.23Å; L8-N12 PolarHBondContact O-ND2 2.74Å; L8-F110 HydrophobicContact CD1-CE1 3.39Å; L8-F110 HydrophobicContact CD1-CZ 3.52Å; L8-F110 HydrophobicContact CD2-CZ 4Å; L8-F110 HydrophobicContact CG-CZ 4.4Å
9D81.2Confident75Confident107 Ų10771.7 Ų71.757%0.57237%0.368SS*.Hα-helixtrans-64.5-38-179.8-70.8-29.2000112.3P5 A6 N12 Y13P5-D9 PolarHBondContact O-N 3.33Å; A6-D9 PolarHBondContact O-N 2.87Å; D9-N12 PolarHBondContact O-N 3.34Å; D9-Y13 PolarHBondContact O-N 2.98Å
10R87.9Confident75.7Confident91 Ų9171.7 Ų71.734%0.34337%0.365SS..Hα-helixtrans-63.3-44.5170.4-64.2-55.2-63.7162.3-6.1112.2A6 L8 N12 Y13 Y14 E473 L475A6-R10 WeakPolarHBondContact O-CG 2.83Å; A6-R10 PolarHBondContact O-N 3.2Å; A6-R10 VanDerWaalsContact O-N 3.1Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.13Å; R10-N12 VanDerWaalsContact C-N 3.33Å; R10-N12 PolarHBondContact O-N 3.25Å; R10-Y13 WeakPolarHBondContact O-CB 3.47Å; R10-Y13 PolarHBondContact O-N 3.41Å; R10-Y13 VanDerWaalsContact O-N 3.16Å; R10-Y14 PolarHBondContact NH2-OH 3.1Å; R10-Y14 WeakPolarHBondContact O-CD2 3.41Å; R10-Y14 PolarHBondContact O-N 2.63Å; R10-E473 WeakPolarHBondContact CB-OE2 3.47Å; R10-E473 VanDerWaalsContact CG-OE2 3.25Å; R10-E473 WeakPolarHBondContact CG-OE2 3.5Å; R10-E473 IonicContact CZ-OE1 2.87Å; R10-E473 VanDerWaalsContact CZ-OE1 3.24Å; R10-E473 IonicContact CZ-OE2 2.98Å; R10-E473 VanDerWaalsContact NE-CD 3.33Å; R10-E473 IonicContact NE-OE1 2.91Å; R10-E473 PolarHBondContact NE-OE1 3.44Å; R10-E473 IonicContact NE-OE2 2.63Å; R10-E473 PolarHBondContact NE-OE2 2.98Å; R10-E473 IonicContact NH2-OE1 3.27Å; R10-E473 PolarHBondContact NH2-OE1 3.03Å; R10-E473 IonicContact NH2-OE2 2.93Å; R10-L475 HydrophobicContact CB-CD1 4.23Å
11L83.1Confident76.4Confident0 Ų068.3 Ų68.30%035%0.348CS..Hα-helixtrans-64.8-37.6178.4-16763.5000112K7 L8 Y14 T15 L59 A62 Y63 L66 L470K7-L11 WeakPolarHBondContact O-CB 3.38Å; K7-L11 PolarHBondContact O-N 3.35Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L11 VanDerWaalsContact O-N 3.16Å; L11-Y14 PolarHBondContact O-N 2.85Å; L11-T15 WeakPolarHBondContact O-CB 3.4Å; L11-T15 PolarHBondContact O-N 3.32Å; L11-T15 PolarHBondContact O-OG1 3.15Å; L11-L59 HydrophobicContact CD1-CD1 3.61Å; L11-L59 HydrophobicContact CG-CD1 4.39Å; L11-A62 HydrophobicContact CD1-CB 3.76Å; L11-A62 HydrophobicContact CD2-CB 4.31Å; L11-Y63 HydrophobicContact CD2-CD1 3.5Å; L11-Y63 HydrophobicContact CD2-CD2 4.09Å; L11-Y63 HydrophobicContact CD2-CE1 3.45Å; L11-Y63 VanDerWaalsContact CD2-CE1 3.45Å; L11-Y63 HydrophobicContact CD2-CE2 4.06Å; L11-Y63 HydrophobicContact CD2-CG 3.82Å; L11-Y63 HydrophobicContact CG-CD1 4.4Å; L11-Y63 HydrophobicContact CG-CD2 4.42Å; L11-Y63 HydrophobicContact CG-CE1 3.95Å; L11-Y63 HydrophobicContact CG-CE2 3.99Å; L11-L66 HydrophobicContact CD2-CD1 3.44Å; L11-L66 VanDerWaalsContact CD2-CD1 3.44Å; L11-L470 HydrophobicContact CD1-CD2 4.32Å
12N81.1Confident79Confident64 Ų6459.1 Ų59.134%0.34230%0.303SS..Hα-helixtrans-64.2-38172.5-69.2-28.1000112.3L8 D9 R10 T15 R16 Y63L8-N12 WeakPolarHBondContact CD1-ND2 3.28Å; L8-N12 WeakPolarHBondContact O-CB 3.24Å; L8-N12 VanDerWaalsContact O-CG 3.25Å; L8-N12 PolarHBondContact O-N 3.23Å; L8-N12 PolarHBondContact O-ND2 2.74Å; D9-N12 PolarHBondContact O-N 3.34Å; R10-N12 VanDerWaalsContact C-N 3.33Å; R10-N12 PolarHBondContact O-N 3.25Å; N12-T15 PolarHBondContact O-N 2.93Å; N12-R16 PolarHBondContact O-N 2.66Å; N12-Y63 PolarHBondContact OD1-OH 2.97Å
13Y89.1Confident81.1Confident74 Ų7454.8 Ų54.829%0.2927%0.27SS..Hα-helixtrans-61.3-47.4171.6169-92.9000111.7D9 R10 T15 R16 A17 L424 P425D9-Y13 PolarHBondContact O-N 2.98Å; R10-Y13 WeakPolarHBondContact O-CB 3.47Å; R10-Y13 PolarHBondContact O-N 3.41Å; R10-Y13 VanDerWaalsContact O-N 3.16Å; Y13-T15 PolarHBondContact O-N 3.48Å; Y13-R16 PolarHBondContact O-N 3.24Å; Y13-A17 PolarHBondContact O-N 3.05Å; Y13-L424 HydrophobicContact CE2-CD2 3.94Å; Y13-P425 WeakPolarHBondContact OH-CD 3.44Å
14Y90Very high82.6Confident8 Ų855.3 Ų55.33%0.03127%0.266CS..Hα-helixtrans-66.1-35.4176.6-71.7-64.7000112.9R10 L11 A17 V18 I466 C469 L470 E473 L475R10-Y14 PolarHBondContact NH2-OH 3.1Å; R10-Y14 WeakPolarHBondContact O-CD2 3.41Å; R10-Y14 PolarHBondContact O-N 2.63Å; L11-Y14 PolarHBondContact O-N 2.85Å; Y14-A17 WeakPolarHBondContact O-CB 3.35Å; Y14-A17 PolarHBondContact O-N 3.05Å; Y14-V18 WeakPolarHBondContact O-CB 3.47Å; Y14-V18 WeakPolarHBondContact O-CG2 3.33Å; Y14-V18 PolarHBondContact O-N 3.3Å; Y14-I466 HydrophobicContact CD1-CG2 4.12Å; Y14-C469 HydrophobicContact CE1-CB 3.57Å; Y14-C469 WeakPolarHBondContact OH-CB 3.26Å; Y14-L470 HydrophobicContact CD1-CD2 4.46Å; Y14-L470 HydrophobicContact CD2-CD2 3.68Å; Y14-L470 HydrophobicContact CE2-CD2 4.42Å; Y14-L470 HydrophobicContact CG-CD2 3.74Å; Y14-L470 HydrophobicContact CG-CG 4.47Å; Y14-E473 PolarHBondContact OH-OE1 3.05Å; Y14-E473 VanDerWaalsContact OH-OE1 3.06Å; Y14-L475 HydrophobicContact CD2-CD1 3.87Å; Y14-L475 HydrophobicContact CE2-CD1 4.08Å
15T84.5Confident84.2Confident28 Ų2853.4 Ų53.417%0.17226%0.256CS..Hα-helixtrans-60.5-44.4170.8-60.40000111.7L11 N12 Y13 Y19 L59 Y63 L113L11-T15 WeakPolarHBondContact O-CB 3.4Å; L11-T15 PolarHBondContact O-N 3.32Å; L11-T15 PolarHBondContact O-OG1 3.15Å; N12-T15 PolarHBondContact O-N 2.93Å; Y13-T15 PolarHBondContact O-N 3.48Å; T15-Y19 VanDerWaalsContact O-CB 3.23Å; T15-Y19 WeakPolarHBondContact O-CB 3.36Å; T15-Y19 PolarHBondContact O-N 3.17Å; T15-L59 HydrophobicContact CG2-CD2 4.38Å; T15-Y63 VanDerWaalsContact OG1-CE2 3.25Å; T15-Y63 WeakPolarHBondContact OG1-CE2 3.49Å; T15-Y63 PolarHBondContact OG1-OH 2.63Å; T15-L113 HydrophobicContact CG2-CD2 4.4Å
16R85.6Confident85.5Confident122 Ų12252 Ų5246%0.4625%0.246SC..Hα-helixtrans-62.8-40.6173.4173.6176.9165.1176.4-10.4111.7N12 Y13 K20 D422 L424N12-R16 PolarHBondContact O-N 2.66Å; Y13-R16 PolarHBondContact O-N 3.24Å; R16-K20 HydrophobicContact CG-CD 4.29Å; R16-K20 WeakPolarHBondContact O-CB 3.33Å; R16-K20 PolarHBondContact O-N 3.16Å; R16-D422 IonicContact CZ-OD2 3.77Å; R16-D422 IonicContact NE-OD2 2.71Å; R16-D422 PolarHBondContact NE-OD2 3.34Å; R16-D422 PolarHBondContact NH2-O 3.21Å; R16-D422 IonicContact NH2-OD2 3.92Å; R16-D422 PolarHBondContact NH2-OD2 3.08Å; R16-L424 HydrophobicContact CG-CD1 4.38Å
17A89.2Confident86Confident3 Ų350.4 Ų50.43%0.02523%0.229CC..Hα-helixtrans-63-53.8177.700000111.7Y13 Y14 Y19 K20 T21 L424 I466Y13-A17 PolarHBondContact O-N 3.05Å; Y14-A17 WeakPolarHBondContact O-CB 3.35Å; Y14-A17 PolarHBondContact O-N 3.05Å; A17-Y19 VanDerWaalsContact C-N 3.32Å; A17-Y19 PolarHBondContact O-N 3.06Å; A17-K20 PolarHBondContact O-N 2.99Å; A17-T21 WeakPolarHBondContact O-CB 3.49Å; A17-T21 PolarHBondContact O-N 3.02Å; A17-T21 PolarHBondContact O-OG1 2.82Å; A17-L424 HydrophobicContact CB-CD2 3.97Å; A17-I466 HydrophobicContact CB-CD1 4.38Å
18V87.9Confident86.1Confident1 Ų152.3 Ų52.31%0.00625%0.249CC..Hα-helixtrans-57.1-45.4176.2170.20000110.8Y14 K20 I22 L23 V56 L59 I466Y14-V18 WeakPolarHBondContact O-CB 3.47Å; Y14-V18 WeakPolarHBondContact O-CG2 3.33Å; Y14-V18 PolarHBondContact O-N 3.3Å; V18-K20 PolarHBondContact O-N 3.43Å; V18-I22 WeakPolarHBondContact O-CA 3.3Å; V18-I22 WeakPolarHBondContact O-CB 3.12Å; V18-I22 PolarHBondContact O-N 3.46Å; V18-L23 HydrophobicContact CG1-CD1 4.21Å; V18-L23 HydrophobicContact CG1-CG 4.05Å; V18-L23 PolarHBondContact O-N 3.16Å; V18-V56 HydrophobicContact CG1-CG2 3.88Å; V18-L59 HydrophobicContact CB-CD2 4.38Å; V18-L59 HydrophobicContact CG1-CD2 4.47Å; V18-L59 HydrophobicContact CG2-CD2 4.43Å; V18-I466 HydrophobicContact CG2-CD1 3.93Å; V18-I466 HydrophobicContact CG2-CG2 3.9Å
19Y86.8Confident86.5Confident152 Ų15256 Ų5660%0.59627%0.273SS*.Hα-helixtrans-60.2-49177.9-172.5-92.5000112.1T15 A17 L23 I24T15-Y19 VanDerWaalsContact O-CB 3.23Å; T15-Y19 WeakPolarHBondContact O-CB 3.36Å; T15-Y19 PolarHBondContact O-N 3.17Å; A17-Y19 VanDerWaalsContact C-N 3.32Å; A17-Y19 PolarHBondContact O-N 3.06Å; Y19-L23 HydrophobicContact CD2-CB 4.36Å; Y19-L23 HydrophobicContact CD2-CD1 4.07Å; Y19-I24 WeakPolarHBondContact O-CG2 3.25Å; Y19-I24 PolarHBondContact O-N 3.21Å
20K88.4Confident86.7Confident71 Ų7151.3 Ų51.331%0.30925%0.248SC..Hα-helixtrans-81.5-19-174.6-75.4-166.2170.5-162.70115.8R16 A17 V18 I24 R420 D422 L424R16-K20 HydrophobicContact CG-CD 4.29Å; R16-K20 WeakPolarHBondContact O-CB 3.33Å; R16-K20 PolarHBondContact O-N 3.16Å; A17-K20 PolarHBondContact O-N 2.99Å; V18-K20 PolarHBondContact O-N 3.43Å; K20-I24 VanDerWaalsContact O-CD1 3.29Å; K20-I24 WeakPolarHBondContact O-CD1 3.11Å; K20-R420 PolarHBondContact O-NH1 3.32Å; K20-D422 WeakPolarHBondContact CD-OD2 3.48Å; K20-D422 WeakPolarHBondContact CE-OD2 3.44Å; K20-D422 IonicContact NZ-OD2 2.94Å; K20-D422 PolarHBondContact NZ-OD2 2.97Å; K20-L424 HydrophobicContact CB-CD1 3.68Å; K20-L424 HydrophobicContact CD-CD1 3.74Å; K20-L424 HydrophobicContact CG-CD1 4.25Å
21T90.7Very high86.6Confident0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-114-18.9-176.363.80000114.2A17 Y25 I426 P457 Q462A17-T21 WeakPolarHBondContact O-CB 3.49Å; A17-T21 PolarHBondContact O-N 3.02Å; A17-T21 PolarHBondContact O-OG1 2.82Å; T21-Y25 WeakPolarHBondContact O-CE2 3.43Å; T21-I426 HydrophobicContact CG2-CG1 4.26Å; T21-P457 VanDerWaalsContact O-CG 3.24Å; T21-P457 WeakPolarHBondContact O-CG 3.39Å; T21-Q462 PolarHBondContact OG1-NE2 3.13Å; T21-Q462 VanDerWaalsContact OG1-NE2 3.1Å
22I90.3Very high87.1Confident0 Ų047.2 Ų47.20%023%0.234CC..THydrogen-bonded Turntrans-125.5-52-177.5-70.5172.6000111V18 I24 Y25 F33 A52 C55 V56 L459 Q462 I466V18-I22 WeakPolarHBondContact O-CA 3.3Å; V18-I22 WeakPolarHBondContact O-CB 3.12Å; V18-I22 PolarHBondContact O-N 3.46Å; I22-I24 VanDerWaalsContact C-N 3.28Å; I22-I24 PolarHBondContact O-N 2.98Å; I22-Y25 PolarHBondContact O-N 2.86Å; I22-Y25 VanDerWaalsContact O-N 3.13Å; I22-F33 HydrophobicContact CG2-CD1 4.07Å; I22-F33 HydrophobicContact CG2-CE1 3.38Å; I22-F33 HydrophobicContact CG2-CZ 3.83Å; I22-A52 HydrophobicContact CG2-CB 4.36Å; I22-C55 WeakPolarHBondContact CD1-SG 3.38Å; I22-V56 HydrophobicContact CG2-CG2 4.48Å; I22-L459 HydrophobicContact CG1-CD2 4.27Å; I22-Q462 HydrophobicContact CD1-CB 4.32Å; I22-Q462 HydrophobicContact CD1-CG 3.96Å; I22-Q462 HydrophobicContact CG1-CG 4.05Å; I22-I466 HydrophobicContact CD1-CD1 4.23Å
23L87.7Confident87.6Confident28 Ų2844.3 Ų44.315%0.14722%0.218CC..G310 helixtrans-70.2-18.7-176.7-56.2178.9000114.1V18 Y19 Y25 T26 F33 V56 I120V18-L23 HydrophobicContact CG1-CD1 4.21Å; V18-L23 HydrophobicContact CG1-CG 4.05Å; V18-L23 PolarHBondContact O-N 3.16Å; Y19-L23 HydrophobicContact CD2-CB 4.36Å; Y19-L23 HydrophobicContact CD2-CD1 4.07Å; L23-Y25 PolarHBondContact O-N 2.96Å; L23-Y25 VanDerWaalsContact O-N 3.11Å; L23-T26 HydrophobicContact CD2-CG2 4.14Å; L23-T26 PolarHBondContact O-N 3.44Å; L23-T26 PolarHBondContact O-OG1 2.94Å; L23-F33 HydrophobicContact CD2-CE1 4.1Å; L23-F33 HydrophobicContact CD2-CZ 4.27Å; L23-V56 HydrophobicContact CD2-CG2 4.14Å; L23-I120 HydrophobicContact CD1-CD1 4.1Å; L23-I120 HydrophobicContact CD2-CD1 4.24Å; L23-I120 HydrophobicContact CD2-CG2 4.01Å
24I88.1Confident87.7Confident82 Ų8242 Ų4242%0.42121%0.213SC..G310 helixtrans-61.9-15.1171.163.2166.6000113.8Y19 K20 I22Y19-I24 WeakPolarHBondContact O-CG2 3.25Å; Y19-I24 PolarHBondContact O-N 3.21Å; K20-I24 VanDerWaalsContact O-CD1 3.29Å; K20-I24 WeakPolarHBondContact O-CD1 3.11Å; I22-I24 VanDerWaalsContact C-N 3.28Å; I22-I24 PolarHBondContact O-N 2.98Å
25Y90Very high87.7Confident53 Ų5342.8 Ų42.821%0.20822%0.22CC..G310 helixtrans-101.30-179.6-60.3-76.4000113.8T21 I22 L23 F33 C34 P36 P457 L459T21-Y25 WeakPolarHBondContact O-CE2 3.43Å; I22-Y25 PolarHBondContact O-N 2.86Å; I22-Y25 VanDerWaalsContact O-N 3.13Å; L23-Y25 PolarHBondContact O-N 2.96Å; L23-Y25 VanDerWaalsContact O-N 3.11Å; Y25-F33 WeakPolarHBondContact O-CA 3.46Å; Y25-C34 PolarHBondContact O-N 3.29Å; Y25-P36 HydrophobicContact CD1-CB 4.25Å; Y25-P36 HydrophobicContact CD1-CG 4.08Å; Y25-P36 HydrophobicContact CD2-CG 4.34Å; Y25-P36 HydrophobicContact CE1-CB 3.64Å; Y25-P36 HydrophobicContact CE1-CG 3.89Å; Y25-P36 HydrophobicContact CE2-CB 4.49Å; Y25-P36 HydrophobicContact CE2-CG 4.15Å; Y25-P36 HydrophobicContact CG-CG 4.32Å; Y25-P457 HydrophobicContact CE2-CG 3.98Å; Y25-L459 HydrophobicContact CD2-CD2 3.61Å; Y25-L459 HydrophobicContact CE2-CD2 3.99Å; Y25-L459 HydrophobicContact CG-CD2 4.38Å
26T87.5Confident87.8Confident44 Ų4443 Ų4327%0.2722%0.221SC..BIsolated β-bridgetrans-73.8132.2176.658.50000111.7L23 G31 L32 F33L23-T26 HydrophobicContact CD2-CG2 4.14Å; L23-T26 PolarHBondContact O-N 3.44Å; L23-T26 PolarHBondContact O-OG1 2.94Å; T26-G31 WeakPolarHBondContact CG2-O 3.24Å; T26-L32 CarbonylContact C-O 3.52Å; T26-L32 WeakPolarHBondContact CA-O 3.11Å; T26-F33 HydrophobicContact CG2-CD1 3.58Å; T26-F33 HydrophobicContact CG2-CE1 3.28Å; T26-F33 HydrophobicContact CG2-CG 4.42Å; T26-F33 HydrophobicContact CG2-CZ 3.94Å
27D86.8Confident87.9Confident24 Ų2438.6 Ų38.613%0.12821%0.208CC..  trans-61.9131.9162.5178.6-81.9000110.2V29 T30 G31 L32 A158 C159D27-V29 VanDerWaalsContact C-N 3.33Å; D27-V29 PolarHBondContact O-N 2.62Å; D27-V29 WeakPolarHBondContact OD1-CA 3.48Å; D27-V29 WeakPolarHBondContact OD1-CB 3.36Å; D27-V29 PolarHBondContact OD1-N 3.22Å; D27-T30 PolarHBondContact OD1-N 2.72Å; D27-T30 PolarHBondContact OD1-OG1 3.26Å; D27-G31 WeakPolarHBondContact O-CA 3.48Å; D27-G31 PolarHBondContact O-N 3.15Å; D27-L32 PolarHBondContact N-O 2.77Å; D27-A158 HydrophobicContact CB-CB 4.41Å; D27-C159 WeakPolarHBondContact OD2-CB 3.39Å
28P78.3Confident87.6Confident112 Ų11244.1 Ų44.173%0.72724%0.244SC*.THydrogen-bonded Turntrans-70.4-26.7-175.227.6-34.7000113.4K123P28-K123 PolarHBondContact O-NZ 3.39Å
29V82Confident87.5Confident112 Ų11248.2 Ų48.268%0.67927%0.272SS*.THydrogen-bonded Turntrans-83.8-50.3-177.1-176.70000110.5D27 K123D27-V29 VanDerWaalsContact C-N 3.33Å; D27-V29 PolarHBondContact O-N 2.62Å; D27-V29 WeakPolarHBondContact OD1-CA 3.48Å; D27-V29 WeakPolarHBondContact OD1-CB 3.36Å; D27-V29 PolarHBondContact OD1-N 3.22Å; V29-K123 VanDerWaalsContact C-NZ 3.34Å; V29-K123 WeakPolarHBondContact O-CE 3.45Å; V29-K123 PolarHBondContact O-NZ 2.9Å
30T86.6Confident87.5Confident8 Ų844.3 Ų44.35%0.04926%0.259CS..THydrogen-bonded Turntrans-95.3-23.1-175.572.90000113.6D27 L32 K123 S127 A158 L161D27-T30 PolarHBondContact OD1-N 2.72Å; D27-T30 PolarHBondContact OD1-OG1 3.26Å; T30-L32 VanDerWaalsContact C-N 3.25Å; T30-L32 PolarHBondContact O-N 3.13Å; T30-L32 PolarHBondContact OG1-N 3.45Å; T30-L32 VanDerWaalsContact OG1-N 3.09Å; T30-K123 WeakPolarHBondContact O-CG 3.41Å; T30-S127 PolarHBondContact O-OG 3.27Å; T30-A158 WeakPolarHBondContact CB-O 3.38Å; T30-A158 WeakPolarHBondContact CG2-O 3.37Å; T30-A158 PolarHBondContact OG1-O 2.81Å; T30-L161 HydrophobicContact CG2-CD1 4.45Å; T30-L161 HydrophobicContact CG2-CD2 3.68Å; T30-L161 HydrophobicContact CG2-CG 3.94Å
31G85.9Confident87.3Confident6 Ų649.7 Ų49.76%0.06228%0.282CS..  trans81.6-11.6-170.900000114.9T26 D27 V124T26-G31 WeakPolarHBondContact CG2-O 3.24Å; D27-G31 WeakPolarHBondContact O-CA 3.48Å; D27-G31 PolarHBondContact O-N 3.15Å; G31-V124 VanDerWaalsContact O-CG2 3.28Å; G31-V124 WeakPolarHBondContact O-CG2 3.5Å
32L92Very high87.3Confident0 Ų050.7 Ų50.70%029%0.292CS..PPolyproline II helixtrans-62.7137.6-175.3-67.6-178.2000112T26 D27 T30 C34 A44 V124 L128 A158 L161T26-L32 CarbonylContact C-O 3.52Å; T26-L32 WeakPolarHBondContact CA-O 3.11Å; D27-L32 PolarHBondContact N-O 2.77Å; T30-L32 VanDerWaalsContact C-N 3.25Å; T30-L32 PolarHBondContact O-N 3.13Å; T30-L32 PolarHBondContact OG1-N 3.45Å; T30-L32 VanDerWaalsContact OG1-N 3.09Å; L32-C34 PolarHBondContact O-N 3.49Å; L32-A44 HydrophobicContact CB-CB 4.11Å; L32-A44 HydrophobicContact CD1-CB 4.15Å; L32-V124 HydrophobicContact CD2-CG1 4.22Å; L32-L128 HydrophobicContact CD2-CD2 3.88Å; L32-L128 HydrophobicContact CD2-CG 3.94Å; L32-A158 HydrophobicContact CB-CB 4.33Å; L32-L161 HydrophobicContact CD1-CD2 3.54Å; L32-L161 HydrophobicContact CG-CD2 4.28Å
33F92.2Very high87.4Confident2 Ų252.2 Ų52.21%0.00930%0.3CS..BIsolated β-bridgetrans-72.3117.6173.2-60.4-77.3000110.3I22 L23 Y25 T26 A44 N49 A52 V53 V56 V124 L459I22-F33 HydrophobicContact CG2-CD1 4.07Å; I22-F33 HydrophobicContact CG2-CE1 3.38Å; I22-F33 HydrophobicContact CG2-CZ 3.83Å; L23-F33 HydrophobicContact CD2-CE1 4.1Å; L23-F33 HydrophobicContact CD2-CZ 4.27Å; Y25-F33 WeakPolarHBondContact O-CA 3.46Å; T26-F33 HydrophobicContact CG2-CD1 3.58Å; T26-F33 HydrophobicContact CG2-CE1 3.28Å; T26-F33 HydrophobicContact CG2-CG 4.42Å; T26-F33 HydrophobicContact CG2-CZ 3.94Å; F33-A44 WeakPolarHBondContact O-CB 3.43Å; F33-N49 HydrophobicContact CD2-CB 4.48Å; F33-N49 PolarHBondContact N-OD1 3.09Å; F33-N49 PolarHBondContact O-ND2 2.79Å; F33-A52 HydrophobicContact CD1-CB 4.42Å; F33-A52 HydrophobicContact CD2-CB 3.56Å; F33-A52 HydrophobicContact CE1-CB 4.45Å; F33-A52 HydrophobicContact CE2-CB 3.57Å; F33-A52 HydrophobicContact CG-CB 4Å; F33-A52 HydrophobicContact CZ-CB 4.05Å; F33-V53 HydrophobicContact CE2-CG2 4.23Å; F33-V56 HydrophobicContact CZ-CG2 4.48Å; F33-V124 HydrophobicContact CD2-CG1 4.38Å; F33-V124 HydrophobicContact CD2-CG2 4.25Å; F33-V124 HydrophobicContact CE2-CG1 4.33Å; F33-V124 HydrophobicContact CE2-CG2 3.78Å; F33-V124 HydrophobicContact CZ-CG2 4.44Å; F33-L459 HydrophobicContact CB-CD1 4.04Å
34C91.9Very high87.8Confident26 Ų2650.9 Ų50.918%0.17629%0.293CS..PPolyproline II helixtrans-74149.6169.3-64.60000110.8Y25 L32 H43 A158Y25-C34 PolarHBondContact O-N 3.29Å; L32-C34 PolarHBondContact O-N 3.49Å; C34-H43 CarbonylContact C-O 3.59Å; C34-H43 WeakPolarHBondContact CA-O 3.46Å; C34-A158 WeakPolarHBondContact SG-CB 3.3Å
35S88.5Confident88.1Confident24 Ų2448.3 Ų48.317%0.16828%0.277CS..PPolyproline II helixtrans-58.5133.1169.4-172.50000111.4V37 H43S35-V37 PolarHBondContact O-N 3.43Å; S35-V37 PolarHBondContact OG-N 2.87Å; S35-H43 PolarHBondContact N-O 3.45Å
36P87.6Confident88.4Confident32 Ų3245.8 Ų45.821%0.20827%0.267CS..SBendtrans-65-16.5169.2-24.235.9000114.1Y25 L459Y25-P36 HydrophobicContact CD1-CB 4.25Å; Y25-P36 HydrophobicContact CD1-CG 4.08Å; Y25-P36 HydrophobicContact CD2-CG 4.34Å; Y25-P36 HydrophobicContact CE1-CB 3.64Å; Y25-P36 HydrophobicContact CE1-CG 3.89Å; Y25-P36 HydrophobicContact CE2-CB 4.49Å; Y25-P36 HydrophobicContact CE2-CG 4.15Å; Y25-P36 HydrophobicContact CG-CG 4.32Å; P36-L459 HydrophobicContact CG-CD1 4.1Å; P36-L459 HydrophobicContact CG-CD2 3.97Å; P36-L459 HydrophobicContact CG-CG 3.8Å
37V87.5Confident88.8Confident30 Ų3044.1 Ų44.118%0.18226%0.256CS..SBendtrans-78.5124.2-174.2-173.30000110.3S35 S39 F40 K41 A455S35-V37 PolarHBondContact O-N 3.43Å; S35-V37 PolarHBondContact OG-N 2.87Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 WeakPolarHBondContact CG1-OG 3.49Å; V37-S39 PolarHBondContact O-N 3.24Å; V37-S39 VanDerWaalsContact O-N 3.15Å; V37-F40 HydrophobicContact CB-CD2 4.17Å; V37-F40 HydrophobicContact CG1-CD2 4.12Å; V37-F40 CarbonylContact O-C 3.56Å; V37-F40 PolarHBondContact O-N 2.93Å; V37-K41 PolarHBondContact O-N 2.76Å; V37-A455 HydrophobicContact CG2-CB 3.95Å
38P83.2Confident89.1Confident119 Ų11944.5 Ų44.577%0.77326%0.258SS*.G310 helixtrans-56.6-34.3-174.4-29.336.1000115.4F40 K41P38-F40 PolarHBondContact O-N 3Å; P38-K41 PolarHBondContact O-N 2.83Å
39S85.6Confident89.9Confident87 Ų8739.2 Ų39.261%0.60822%0.224SC*.G310 helixtrans-69.4-13.2177.6590000114.3V37V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 WeakPolarHBondContact CG1-OG 3.49Å; V37-S39 PolarHBondContact O-N 3.24Å; V37-S39 VanDerWaalsContact O-N 3.15Å
40F86.2Confident90.6Very high70 Ų7033.9 Ų33.931%0.30719%0.192SC..G310 helixtrans-12526.4-179.1-57.5-57.2000112V37 P38 G42 H43 W45V37-F40 HydrophobicContact CB-CD2 4.17Å; V37-F40 HydrophobicContact CG1-CD2 4.12Å; V37-F40 CarbonylContact O-C 3.56Å; V37-F40 PolarHBondContact O-N 2.93Å; P38-F40 PolarHBondContact O-N 3Å; F40-G42 PolarHBondContact O-N 3.38Å; F40-H43 HydrophobicContact CB-CB 4.25Å; F40-H43 VanDerWaalsContact O-CB 3.3Å; F40-H43 WeakPolarHBondContact O-CB 3.19Å; F40-H43 PolarHBondContact O-CD2 3.16Å; F40-H43 VanDerWaalsContact O-CD2 3.29Å; F40-H43 PolarHBondContact O-N 3.31Å; F40-W45 HydrophobicContact CB-CH2 3.86Å; F40-W45 HydrophobicContact CB-CZ3 3.87Å; F40-W45 AromaticContact CD1-CH2 3.94Å; F40-W45 HydrophobicContact CD1-CH2 3.94Å; F40-W45 AromaticContact CD2-CH2 3.91Å; F40-W45 HydrophobicContact CD2-CH2 3.91Å; F40-W45 HydrophobicContact CE1-CH2 4.46Å; F40-W45 HydrophobicContact CE2-CH2 4.44Å; F40-W45 AromaticContact CG-CH2 3.64Å; F40-W45 HydrophobicContact CG-CH2 3.64Å; F40-W45 HydrophobicContact CG-CZ3 4.18Å
41K85.6Confident91.1Very high184 Ų18433.5 Ų33.580%0.819%0.189SC*.THydrogen-bonded Turntrans-56122.1178.7-175.8178.5-179.41800111.1V37 P38V37-K41 PolarHBondContact O-N 2.76Å; P38-K41 PolarHBondContact O-N 2.83Å
42G89.3Confident91.5Very high21 Ų2133.2 Ų33.222%0.21619%0.186CC..THydrogen-bonded Turntrans85.51.2-17800000115.2F40 A158F40-G42 PolarHBondContact O-N 3.38Å; G42-A158 WeakPolarHBondContact O-CB 3.48Å; G42-A158 PolarHBondContact O-N 2.98Å
43H93.8Very high91.6Very high33 Ų3333.3 Ų33.315%0.15319%0.187CC..EExtended strand (participates in β ladder)trans-85.3137.8167.7-64.2-124.2000109.9C34 S35 F40 W45 Y156C34-H43 CarbonylContact C-O 3.59Å; C34-H43 WeakPolarHBondContact CA-O 3.46Å; S35-H43 PolarHBondContact N-O 3.45Å; F40-H43 HydrophobicContact CB-CB 4.25Å; F40-H43 VanDerWaalsContact O-CB 3.3Å; F40-H43 WeakPolarHBondContact O-CB 3.19Å; F40-H43 PolarHBondContact O-CD2 3.16Å; F40-H43 VanDerWaalsContact O-CD2 3.29Å; F40-H43 PolarHBondContact O-N 3.31Å; H43-W45 HydrophobicContact CB-CE3 4.12Å; H43-W45 HydrophobicContact CB-CH2 4.27Å; H43-W45 HydrophobicContact CB-CZ3 3.54Å; H43-Y156 WeakPolarHBondContact CA-O 3.42Å
44A94.4Very high91.8Very high0 Ų033.3 Ų33.30%019%0.187CC..EExtended strand (participates in β ladder)trans-119.9116173.300000109.8L32 F33 K155 Y156 A158L32-A44 HydrophobicContact CB-CB 4.11Å; L32-A44 HydrophobicContact CD1-CB 4.15Å; F33-A44 WeakPolarHBondContact O-CB 3.43Å; A44-K155 CarbonylContact O-C 3.5Å; A44-K155 VanDerWaalsContact O-CA 3.31Å; A44-K155 WeakPolarHBondContact O-CA 3.46Å; A44-Y156 PolarHBondContact N-O 3.35Å; A44-Y156 PolarHBondContact O-N 3.37Å; A44-A158 HydrophobicContact CB-CB 4.05Å
45W95Very high91.9Very high27 Ų2732 Ų3210%0.10218%0.178CC..EExtended strand (participates in β ladder)trans-83139.6171.4-86.1-107.4000110.4F40 H43 D48 N49 K155 W170 E243F40-W45 HydrophobicContact CB-CH2 3.86Å; F40-W45 HydrophobicContact CB-CZ3 3.87Å; F40-W45 AromaticContact CD1-CH2 3.94Å; F40-W45 HydrophobicContact CD1-CH2 3.94Å; F40-W45 AromaticContact CD2-CH2 3.91Å; F40-W45 HydrophobicContact CD2-CH2 3.91Å; F40-W45 HydrophobicContact CE1-CH2 4.46Å; F40-W45 HydrophobicContact CE2-CH2 4.44Å; F40-W45 AromaticContact CG-CH2 3.64Å; F40-W45 HydrophobicContact CG-CH2 3.64Å; F40-W45 HydrophobicContact CG-CZ3 4.18Å; H43-W45 HydrophobicContact CB-CE3 4.12Å; H43-W45 HydrophobicContact CB-CH2 4.27Å; H43-W45 HydrophobicContact CB-CZ3 3.54Å; W45-D48 HydrophobicContact CB-CB 4.12Å; W45-N49 WeakPolarHBondContact O-CB 3.36Å; W45-N49 PolarHBondContact O-N 3.09Å; W45-N49 PolarHBondContact O-ND2 3.12Å; W45-K155 HydrophobicContact CD2-CB 4.01Å; W45-K155 HydrophobicContact CD2-CD 4.36Å; W45-K155 HydrophobicContact CG-CB 4.07Å; W45-K155 HydrophobicContact CH2-CD 4.2Å; W45-K155 HydrophobicContact CZ2-CD 3.64Å; W45-W170 HydrophobicContact CZ2-CH2 4.48Å; W45-W170 AromaticContact CZ2-CZ2 3.94Å; W45-W170 HydrophobicContact CZ2-CZ2 3.94Å; W45-E243 PolarHBondContact NE1-OE1 3.24Å; W45-E243 PolarHBondContact NE1-OE2 2.8Å
46V96.1Very high92Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-59.1-54.3179.9172.20000111.1D48 N49 V50 L128 F132 A154 Y156 A177V46-D48 PolarHBondContact O-N 2.72Å; V46-N49 PolarHBondContact O-N 3.46Å; V46-V50 WeakPolarHBondContact O-CG2 3.5Å; V46-V50 PolarHBondContact O-N 2.91Å; V46-L128 HydrophobicContact CG2-CD2 4.34Å; V46-F132 HydrophobicContact CG1-CE1 4.43Å; V46-F132 HydrophobicContact CG1-CZ 3.81Å; V46-F132 HydrophobicContact CG2-CE1 3.82Å; V46-F132 HydrophobicContact CG2-CZ 3.94Å; V46-A154 WeakPolarHBondContact CG2-O 3.32Å; V46-A154 PolarHBondContact N-O 2.94Å; V46-Y156 HydrophobicContact CG2-CD2 4.08Å; V46-Y156 HydrophobicContact CG2-CE2 3.79Å; V46-A177 HydrophobicContact CB-CB 4.31Å; V46-A177 HydrophobicContact CG1-CB 4.16Å; V46-A177 WeakPolarHBondContact CG1-O 3.26Å
47R95.7Very high92.2Very high9 Ų929.5 Ų29.53%0.03416%0.161CC..Hα-helixtrans-58.2-52.1-176.6177.5169.953.4-100.6-18.2112N49 V50 Y51 D176 A177 I241 E243 W460R47-N49 VanDerWaalsContact C-N 3.33Å; R47-N49 PolarHBondContact O-N 3.45Å; R47-V50 PolarHBondContact O-N 3.01Å; R47-Y51 HydrophobicContact CG-CD2 3.76Å; R47-Y51 HydrophobicContact CG-CE2 3.79Å; R47-Y51 WeakPolarHBondContact O-CD2 3.24Å; R47-Y51 PolarHBondContact O-N 3.3Å; R47-D176 WeakPolarHBondContact CD-OD2 3.47Å; R47-D176 IonicContact CZ-OD2 3.97Å; R47-D176 IonicContact NE-OD2 3.71Å; R47-D176 IonicContact NH1-OD1 3.6Å; R47-D176 IonicContact NH1-OD2 3.52Å; R47-D176 PolarHBondContact NH1-OD2 3.02Å; R47-A177 HydrophobicContact CB-CB 4.35Å; R47-I241 PolarHBondContact NH2-O 3.01Å; R47-E243 IonicContact CZ-OE1 2.73Å; R47-E243 IonicContact NH2-OE1 3.49Å; R47-E243 PolarHBondContact NH2-OE1 3.11Å; R47-W460 HydrophobicContact CG-CZ3 4.39Å
48D93.4Very high92.5Very high32 Ų3228.1 Ų28.117%0.17115%0.153CC..Hα-helixtrans-60.1-40.4178.6-69.246.9000112.5W45 V46 A52W45-D48 HydrophobicContact CB-CB 4.12Å; V46-D48 PolarHBondContact O-N 2.72Å; D48-A52 VanDerWaalsContact O-CB 3.22Å; D48-A52 WeakPolarHBondContact O-CB 3.45Å; D48-A52 PolarHBondContact O-N 2.9Å
49N96Very high92.7Very high1 Ų122.6 Ų22.61%0.00512%0.116CC..Hα-helixtrans-64.1-44.6176.5-90.3-102.8000111.8F33 W45 V46 R47 A52 V53 V124 L128F33-N49 HydrophobicContact CD2-CB 4.48Å; F33-N49 PolarHBondContact N-OD1 3.09Å; F33-N49 PolarHBondContact O-ND2 2.79Å; W45-N49 WeakPolarHBondContact O-CB 3.36Å; W45-N49 PolarHBondContact O-N 3.09Å; W45-N49 PolarHBondContact O-ND2 3.12Å; V46-N49 PolarHBondContact O-N 3.46Å; R47-N49 VanDerWaalsContact C-N 3.33Å; R47-N49 PolarHBondContact O-N 3.45Å; N49-A52 PolarHBondContact O-N 3.36Å; N49-V53 WeakPolarHBondContact O-CG2 3.17Å; N49-V53 PolarHBondContact O-N 3.22Å; N49-V53 VanDerWaalsContact O-N 3.12Å; N49-V124 HydrophobicContact CB-CG1 4.24Å; N49-L128 HydrophobicContact CB-CD1 4.1Å; N49-L128 HydrophobicContact CB-CD2 4.46Å
50V97.1Very high92.7Very high0 Ų018.5 Ų18.50%09%0.088CC..Hα-helixtrans-66.1-43.1179.5177.30000111.2V46 R47 V53 H54 M125 L128 I180 Y181 T184V46-V50 WeakPolarHBondContact O-CG2 3.5Å; V46-V50 PolarHBondContact O-N 2.91Å; R47-V50 PolarHBondContact O-N 3.01Å; V50-V53 WeakPolarHBondContact O-CB 3.41Å; V50-V53 PolarHBondContact O-N 2.89Å; V50-H54 PolarHBondContact O-CD2 2.89Å; V50-M125 HydrophobicContact CG2-SD 4.27Å; V50-L128 HydrophobicContact CG2-CD1 3.66Å; V50-I180 HydrophobicContact CB-CG2 4.45Å; V50-I180 HydrophobicContact CG1-CG1 3.87Å; V50-I180 HydrophobicContact CG1-CG2 4.34Å; V50-Y181 HydrophobicContact CG2-CD2 4.12Å; V50-T184 HydrophobicContact CG1-CG2 4Å; V50-T184 WeakPolarHBondContact CG1-OG1 3.16Å
51Y96.3Very high92.8Very high1 Ų115.3 Ų15.30%0.0047%0.074CC..Hα-helixtrans-67.6-35.4174.8-81-65.2000112.7R47 V53 H54 I180 P324 Y392 W460 S463 L464R47-Y51 HydrophobicContact CG-CD2 3.76Å; R47-Y51 HydrophobicContact CG-CE2 3.79Å; R47-Y51 WeakPolarHBondContact O-CD2 3.24Å; R47-Y51 PolarHBondContact O-N 3.3Å; Y51-V53 VanDerWaalsContact C-N 3.28Å; Y51-V53 PolarHBondContact O-N 3.42Å; Y51-H54 AromaticContact CD1-CE1 3.71Å; Y51-H54 AromaticContact CD1-ND1 3.64Å; Y51-H54 AromaticContact CE1-CE1 3.94Å; Y51-H54 WeakPolarHBondContact O-CB 3.43Å; Y51-H54 PolarHBondContact O-N 2.96Å; Y51-H54 VanDerWaalsContact O-N 3.13Å; Y51-I180 HydrophobicContact CE1-CD1 4.47Å; Y51-I180 HydrophobicContact CE1-CG1 4.42Å; Y51-I180 HydrophobicContact CE2-CG1 4.19Å; Y51-P324 HydrophobicContact CE1-CG 4Å; Y51-Y392 WeakPolarHBondContact CE1-OH 3.43Å; Y51-Y392 PolarHBondContact OH-OH 2.95Å; Y51-W460 AromaticContact CD1-CD1 3.76Å; Y51-W460 AromaticContact CD1-NE1 3.64Å; Y51-W460 AromaticContact CD2-CD1 3.57Å; Y51-W460 AromaticContact CD2-CD2 3.85Å; Y51-W460 HydrophobicContact CD2-CD2 3.85Å; Y51-W460 AromaticContact CD2-CE2 3.57Å; Y51-W460 AromaticContact CD2-CG 3.9Å; Y51-W460 HydrophobicContact CD2-CG 3.9Å; Y51-W460 HydrophobicContact CD2-CZ2 4.22Å; Y51-W460 AromaticContact CD2-NE1 3.34Å; Y51-W460 VanDerWaalsContact CD2-NE1 3.34Å; Y51-W460 AromaticContact CE1-NE1 3.75Å; Y51-W460 HydrophobicContact CE2-CD2 4.23Å; Y51-W460 AromaticContact CE2-CE2 3.52Å; Y51-W460 AromaticContact CE2-CZ2 3.73Å; Y51-W460 HydrophobicContact CE2-CZ2 3.73Å; Y51-W460 AromaticContact CE2-NE1 3.45Å; Y51-W460 AromaticContact CG-CD1 3.34Å; Y51-W460 HydrophobicContact CG-CD2 4.38Å; Y51-W460 AromaticContact CG-CG 3.97Å; Y51-W460 HydrophobicContact CG-CG 3.97Å; Y51-W460 AromaticContact CG-NE1 3.44Å; Y51-W460 AromaticContact CZ-NE1 3.66Å; Y51-S463 VanDerWaalsContact O-CB 3.26Å; Y51-S463 WeakPolarHBondContact O-CB 3.08Å; Y51-S463 PolarHBondContact O-OG 3.5Å; Y51-L464 HydrophobicContact CD1-CD2 4.35Å
52A94.3Very high92.8Very high0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-62.4-33.7174.500000112.6I22 F33 D48 N49 H54 C55I22-A52 HydrophobicContact CG2-CB 4.36Å; F33-A52 HydrophobicContact CD1-CB 4.42Å; F33-A52 HydrophobicContact CD2-CB 3.56Å; F33-A52 HydrophobicContact CE1-CB 4.45Å; F33-A52 HydrophobicContact CE2-CB 3.57Å; F33-A52 HydrophobicContact CG-CB 4Å; F33-A52 HydrophobicContact CZ-CB 4.05Å; D48-A52 VanDerWaalsContact O-CB 3.22Å; D48-A52 WeakPolarHBondContact O-CB 3.45Å; D48-A52 PolarHBondContact O-N 2.9Å; N49-A52 PolarHBondContact O-N 3.36Å; A52-H54 VanDerWaalsContact C-N 3.27Å; A52-H54 PolarHBondContact O-N 3.31Å; A52-C55 PolarHBondContact O-SG 2.79Å
53V94.2Very high92.4Very high1 Ų15.7 Ų5.71%0.0063%0.027CC..Hα-helixtrans-61.7-31.3173.6167.60000112.5F33 N49 V50 Y51 C55 V56 W57 C121 V124 M188F33-V53 HydrophobicContact CE2-CG2 4.23Å; N49-V53 WeakPolarHBondContact O-CG2 3.17Å; N49-V53 PolarHBondContact O-N 3.22Å; N49-V53 VanDerWaalsContact O-N 3.12Å; V50-V53 WeakPolarHBondContact O-CB 3.41Å; V50-V53 PolarHBondContact O-N 2.89Å; Y51-V53 VanDerWaalsContact C-N 3.28Å; Y51-V53 PolarHBondContact O-N 3.42Å; V53-C55 PolarHBondContact O-N 3.38Å; V53-V56 PolarHBondContact O-N 3.24Å; V53-V56 VanDerWaalsContact O-N 3.15Å; V53-W57 HydrophobicContact CG1-CB 4.4Å; V53-W57 WeakPolarHBondContact O-CB 3.39Å; V53-W57 PolarHBondContact O-N 3.48Å; V53-C121 HydrophobicContact CG1-CB 3.88Å; V53-V124 HydrophobicContact CG2-CB 3.75Å; V53-V124 HydrophobicContact CG2-CG1 3.55Å; V53-V124 HydrophobicContact CG2-CG2 4.22Å; V53-M188 HydrophobicContact CG1-SD 4.02Å
54H95.6Very high91.6Very high2 Ų27.3 Ų7.31%0.0093%0.032CC..Hα-helixtrans-58.1-45.4-172.6-69-174.9000113.5V50 Y51 A52 A58 T184 Y323 L467V50-H54 PolarHBondContact O-CD2 2.89Å; Y51-H54 AromaticContact CD1-CE1 3.71Å; Y51-H54 AromaticContact CD1-ND1 3.64Å; Y51-H54 AromaticContact CE1-CE1 3.94Å; Y51-H54 WeakPolarHBondContact O-CB 3.43Å; Y51-H54 PolarHBondContact O-N 2.96Å; Y51-H54 VanDerWaalsContact O-N 3.13Å; A52-H54 VanDerWaalsContact C-N 3.27Å; A52-H54 PolarHBondContact O-N 3.31Å; H54-A58 WeakPolarHBondContact O-CB 3.5Å; H54-A58 PolarHBondContact O-N 3.2Å; H54-T184 PolarHBondContact NE2-OG1 3.27Å; H54-Y323 AromaticContact ND1-CE1 3.76Å; H54-Y323 AromaticContact ND1-CZ 3.96Å; H54-Y323 PolarHBondContact ND1-OH 2.98Å; H54-L467 HydrophobicContact CB-CD2 4.49Å
55C93.7Very high90.8Very high0 Ų010.2 Ų10.20%04%0.044CC..Hα-helixtrans-72.2-32.8177.370.20000113.5I22 A52 V53 A58 L59 S463 I466I22-C55 WeakPolarHBondContact CD1-SG 3.38Å; A52-C55 PolarHBondContact O-SG 2.79Å; V53-C55 PolarHBondContact O-N 3.38Å; C55-A58 PolarHBondContact O-N 2.86Å; C55-L59 WeakPolarHBondContact O-CB 3.48Å; C55-L59 PolarHBondContact O-N 3.45Å; C55-S463 WeakPolarHBondContact CB-O 3.37Å; C55-S463 WeakPolarHBondContact CB-OG 3.01Å; C55-S463 PolarHBondContact N-OG 3.16Å; C55-S463 VanDerWaalsContact N-OG 3.17Å; C55-S463 PolarHBondContact SG-OG 3.36Å; C55-I466 HydrophobicContact CB-CB 4.17Å; C55-I466 HydrophobicContact CB-CG2 4.02Å
56V91.3Very high89.7Confident1 Ų111 Ų111%0.0065%0.05CC..Hα-helixtrans-69.1-38.2177.4-171.60000110.2V18 I22 L23 F33 V53 A60 I120 C121V18-V56 HydrophobicContact CG1-CG2 3.88Å; I22-V56 HydrophobicContact CG2-CG2 4.48Å; L23-V56 HydrophobicContact CD2-CG2 4.14Å; F33-V56 HydrophobicContact CZ-CG2 4.48Å; V53-V56 PolarHBondContact O-N 3.24Å; V53-V56 VanDerWaalsContact O-N 3.15Å; V56-A60 PolarHBondContact O-N 3.3Å; V56-I120 HydrophobicContact CG1-CB 4.49Å; V56-I120 HydrophobicContact CG1-CG2 4.29Å; V56-C121 VanDerWaalsContact CG1-SG 3.59Å
57W92.6Very high88.2Confident2 Ų211.9 Ų11.91%0.0086%0.058CC..Hα-helixtrans-68.8-43.6174.2175.441.6000111.5V53 L59 A60 L61 C121 Q187 M188 S191 L193 M481V53-W57 HydrophobicContact CG1-CB 4.4Å; V53-W57 WeakPolarHBondContact O-CB 3.39Å; V53-W57 PolarHBondContact O-N 3.48Å; W57-L59 VanDerWaalsContact C-N 3.34Å; W57-L59 PolarHBondContact O-N 3.28Å; W57-A60 WeakPolarHBondContact O-CB 3.46Å; W57-A60 PolarHBondContact O-N 2.9Å; W57-L61 HydrophobicContact CD2-CD1 4.31Å; W57-L61 HydrophobicContact CG-CD1 4.46Å; W57-L61 HydrophobicContact CZ2-CD1 4.05Å; W57-L61 WeakPolarHBondContact O-CG 3.48Å; W57-L61 PolarHBondContact O-N 2.95Å; W57-C121 PolarHBondContact N-SG 3.27Å; W57-C121 VanDerWaalsContact N-SG 3.38Å; W57-Q187 HydrophobicContact CH2-CB 3.78Å; W57-Q187 HydrophobicContact CZ3-CB 4.38Å; W57-M188 HydrophobicContact CD2-CG 3.99Å; W57-M188 HydrophobicContact CE3-CG 4.33Å; W57-M188 HydrophobicContact CG-CG 4.39Å; W57-M188 HydrophobicContact CZ2-CG 4.36Å; W57-S191 PolarHBondContact NE1-OG 2.93Å; W57-L193 VanDerWaalsContact CD1-CD1 3.49Å; W57-M481 HydrophobicContact CD2-CE 4.3Å; W57-M481 HydrophobicContact CD2-SD 4.46Å; W57-M481 HydrophobicContact CE3-CE 3.48Å; W57-M481 VanDerWaalsContact CE3-CE 3.48Å; W57-M481 HydrophobicContact CE3-SD 4.15Å; W57-M481 HydrophobicContact CH2-CE 4.4Å; W57-M481 HydrophobicContact CZ3-CE 3.55Å; W57-M481 HydrophobicContact CZ3-SD 4.21Å
58A92.5Very high86.6Confident0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-59.2-43173.300000112.5H54 C55 A60 L61 A62 L467 L470 I476 M481H54-A58 WeakPolarHBondContact O-CB 3.5Å; H54-A58 PolarHBondContact O-N 3.2Å; C55-A58 PolarHBondContact O-N 2.86Å; A58-A60 VanDerWaalsContact C-N 3.35Å; A58-A60 PolarHBondContact O-N 3.25Å; A58-L61 PolarHBondContact O-N 2.69Å; A58-A62 PolarHBondContact O-N 2.72Å; A58-L467 HydrophobicContact CB-CD1 3.7Å; A58-L470 HydrophobicContact CB-CD1 3.87Å; A58-I476 HydrophobicContact CB-CD1 3.95Å; A58-M481 HydrophobicContact CB-CE 4.08Å; A58-M481 HydrophobicContact CB-SD 3.58Å; A58-M481 VanDerWaalsContact CB-SD 3.58Å
59L88.7Confident84.9Confident3 Ų319.9 Ų19.92%0.01610%0.101CC..Hα-helixtrans-61.8-41.9175.3-169.976.7000111.6L11 T15 V18 C55 W57 A62 Y63L11-L59 HydrophobicContact CD1-CD1 3.61Å; L11-L59 HydrophobicContact CG-CD1 4.39Å; T15-L59 HydrophobicContact CG2-CD2 4.38Å; V18-L59 HydrophobicContact CB-CD2 4.38Å; V18-L59 HydrophobicContact CG1-CD2 4.47Å; V18-L59 HydrophobicContact CG2-CD2 4.43Å; C55-L59 WeakPolarHBondContact O-CB 3.48Å; C55-L59 PolarHBondContact O-N 3.45Å; W57-L59 VanDerWaalsContact C-N 3.34Å; W57-L59 PolarHBondContact O-N 3.28Å; L59-A62 PolarHBondContact O-N 3.11Å; L59-Y63 HydrophobicContact CD1-CE2 4.29Å; L59-Y63 HydrophobicContact CD2-CE2 4.44Å; L59-Y63 HydrophobicContact CG-CD2 4.21Å; L59-Y63 HydrophobicContact CG-CE2 4.03Å; L59-Y63 WeakPolarHBondContact O-CD2 3.34Å; L59-Y63 PolarHBondContact O-N 2.82Å
60A85.5Confident82.5Confident1 Ų125 Ų251%0.00813%0.128CC..Hα-helixtrans-61.3-48.717400000111.7V56 W57 A58 A62 Y63 R64 Y114V56-A60 PolarHBondContact O-N 3.3Å; W57-A60 WeakPolarHBondContact O-CB 3.46Å; W57-A60 PolarHBondContact O-N 2.9Å; A58-A60 VanDerWaalsContact C-N 3.35Å; A58-A60 PolarHBondContact O-N 3.25Å; A60-A62 VanDerWaalsContact C-N 3.31Å; A60-A62 PolarHBondContact O-N 3.23Å; A60-Y63 PolarHBondContact O-N 3.48Å; A60-Y63 VanDerWaalsContact O-N 3.15Å; A60-R64 PolarHBondContact O-N 3.47Å; A60-Y114 HydrophobicContact CB-CD2 4.05Å; A60-Y114 HydrophobicContact CB-CE2 4.21Å; A60-Y114 WeakPolarHBondContact O-CD2 3.38Å
61L87.4Confident79.6Confident3 Ų329 Ų292%0.01616%0.156CC..Hα-helixtrans-58.9-40.9178.1-69.7172.5000112.1W57 A58 R64 K65 I476 E480 M481W57-L61 HydrophobicContact CD2-CD1 4.31Å; W57-L61 HydrophobicContact CG-CD1 4.46Å; W57-L61 HydrophobicContact CZ2-CD1 4.05Å; W57-L61 WeakPolarHBondContact O-CG 3.48Å; W57-L61 PolarHBondContact O-N 2.95Å; A58-L61 PolarHBondContact O-N 2.69Å; L61-R64 WeakPolarHBondContact O-CB 3.25Å; L61-R64 PolarHBondContact O-N 2.89Å; L61-K65 WeakPolarHBondContact O-CB 3.42Å; L61-K65 PolarHBondContact O-N 3.32Å; L61-K65 VanDerWaalsContact O-N 3.14Å; L61-I476 HydrophobicContact CB-CD1 3.75Å; L61-I476 HydrophobicContact CD1-CD1 3.88Å; L61-I476 HydrophobicContact CG-CD1 4.48Å; L61-E480 HydrophobicContact CD1-CB 4.47Å; L61-E480 VanDerWaalsContact CD1-O 3.3Å; L61-E480 WeakPolarHBondContact CD1-O 3.19Å; L61-M481 HydrophobicContact CD1-SD 3.92Å
62A86.2Confident76.6Confident4 Ų439.2 Ų39.23%0.03320%0.196CC..Hα-helixtrans-62.8-42.1174.400000112.8L11 A58 L59 A60 L66L11-A62 HydrophobicContact CD1-CB 3.76Å; L11-A62 HydrophobicContact CD2-CB 4.31Å; A58-A62 PolarHBondContact O-N 2.72Å; L59-A62 PolarHBondContact O-N 3.11Å; A60-A62 VanDerWaalsContact C-N 3.31Å; A60-A62 PolarHBondContact O-N 3.23Å; A62-L66 PolarHBondContact O-N 3.14Å
63Y80.5Confident73.8Confident0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-65.9-38.3173.6-84.4-62.7000113L11 N12 T15 L59 A60 K65 L66 A67 F110 L113L11-Y63 HydrophobicContact CD2-CD1 3.5Å; L11-Y63 HydrophobicContact CD2-CD2 4.09Å; L11-Y63 HydrophobicContact CD2-CE1 3.45Å; L11-Y63 VanDerWaalsContact CD2-CE1 3.45Å; L11-Y63 HydrophobicContact CD2-CE2 4.06Å; L11-Y63 HydrophobicContact CD2-CG 3.82Å; L11-Y63 HydrophobicContact CG-CD1 4.4Å; L11-Y63 HydrophobicContact CG-CD2 4.42Å; L11-Y63 HydrophobicContact CG-CE1 3.95Å; L11-Y63 HydrophobicContact CG-CE2 3.99Å; N12-Y63 PolarHBondContact OD1-OH 2.97Å; T15-Y63 VanDerWaalsContact OG1-CE2 3.25Å; T15-Y63 WeakPolarHBondContact OG1-CE2 3.49Å; T15-Y63 PolarHBondContact OG1-OH 2.63Å; L59-Y63 HydrophobicContact CD1-CE2 4.29Å; L59-Y63 HydrophobicContact CD2-CE2 4.44Å; L59-Y63 HydrophobicContact CG-CD2 4.21Å; L59-Y63 HydrophobicContact CG-CE2 4.03Å; L59-Y63 WeakPolarHBondContact O-CD2 3.34Å; L59-Y63 PolarHBondContact O-N 2.82Å; A60-Y63 PolarHBondContact O-N 3.48Å; A60-Y63 VanDerWaalsContact O-N 3.15Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.36Å; Y63-L66 PolarHBondContact O-N 3.12Å; Y63-A67 PolarHBondContact O-N 3.18Å; Y63-F110 HydrophobicContact CD1-CB 4.49Å; Y63-F110 AromaticContact CD1-CD1 3.67Å; Y63-F110 HydrophobicContact CD1-CD1 3.67Å; Y63-F110 HydrophobicContact CD1-CE1 4.38Å; Y63-F110 HydrophobicContact CD1-CG 4.42Å; Y63-F110 AromaticContact CE1-CD1 3.65Å; Y63-F110 HydrophobicContact CE1-CD1 3.65Å; Y63-F110 HydrophobicContact CE1-CE1 4.02Å; Y63-L113 HydrophobicContact CD2-CB 4.2Å; Y63-L113 HydrophobicContact CE1-CB 4.48Å; Y63-L113 HydrophobicContact CE1-CD1 3.97Å; Y63-L113 HydrophobicContact CE2-CB 4.12Å; Y63-L113 HydrophobicContact CE2-CD1 4.39Å; Y63-L113 HydrophobicContact CG-CB 4.42Å
64R78.3Confident71.2Confident67 Ų6753.9 Ų53.925%0.25327%0.267SS..Hα-helixtrans-57.6-47.1176.6-174.4170.274.8-176.88.4111.5A60 L61 L66 A67 D68 Y114 S191A60-R64 PolarHBondContact O-N 3.47Å; L61-R64 WeakPolarHBondContact O-CB 3.25Å; L61-R64 PolarHBondContact O-N 2.89Å; R64-L66 PolarHBondContact O-N 3.03Å; R64-A67 WeakPolarHBondContact O-CB 3.24Å; R64-A67 PolarHBondContact O-N 3.21Å; R64-A67 VanDerWaalsContact O-N 3.08Å; R64-D68 PolarHBondContact O-N 3.18Å; R64-Y114 HydrophobicContact CB-CD2 3.84Å; R64-Y114 HydrophobicContact CB-CE2 3.69Å; R64-Y114 HydrophobicContact CG-CE2 4.17Å; R64-S191 PolarHBondContact NH1-O 3.45Å; R64-S191 PolarHBondContact NH2-O 3.05Å
65K77.2Confident68.3Low60 Ų6060 Ų6026%0.26129%0.293SS..Hα-helixtrans-61.8-39.2179.8-174.7-177-172.2174.80113.1L61 Y63 L69 L475 E480L61-K65 WeakPolarHBondContact O-CB 3.42Å; L61-K65 PolarHBondContact O-N 3.32Å; L61-K65 VanDerWaalsContact O-N 3.14Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.36Å; K65-L69 WeakPolarHBondContact O-CG 3.47Å; K65-L69 PolarHBondContact O-N 3.3Å; K65-L475 PolarHBondContact NZ-O 3.32Å; K65-E480 IonicContact NZ-OE1 2.79Å; K65-E480 IonicContact NZ-OE2 3.3Å; K65-E480 PolarHBondContact NZ-OE2 3.06Å
66L70.8Confident65.6Low43 Ų4363 Ų6323%0.22533%0.325CS..Hα-helixtrans-67.4-35171.3-88.1154000112.7L11 A62 Y63 R64L11-L66 HydrophobicContact CD2-CD1 3.44Å; L11-L66 VanDerWaalsContact CD2-CD1 3.44Å; A62-L66 PolarHBondContact O-N 3.14Å; Y63-L66 PolarHBondContact O-N 3.12Å; R64-L66 PolarHBondContact O-N 3.03Å
67A64.7Low63.1Low20 Ų2073.8 Ų73.817%0.16537%0.367CS..Hα-helixtrans-75.1-35.6178.700000113.8Y63 R64Y63-A67 PolarHBondContact O-N 3.18Å; R64-A67 WeakPolarHBondContact O-CB 3.24Å; R64-A67 PolarHBondContact O-N 3.21Å; R64-A67 VanDerWaalsContact O-N 3.08Å
68D62.2Low60.4Low81 Ų8179.5 Ų79.543%0.43339%0.394SS..Hα-helixtrans-77.9-15.5179.8-78.5-42.8000113.4R64 R73R64-D68 PolarHBondContact O-N 3.18Å; D68-R73 IonicContact OD1-CZ 3.35Å; D68-R73 IonicContact OD1-NE 3.67Å; D68-R73 PolarHBondContact OD1-NE 3.26Å; D68-R73 IonicContact OD1-NH2 3.15Å; D68-R73 PolarHBondContact OD1-NH2 2.87Å; D68-R73 IonicContact OD2-NH2 2.7Å; D68-R73 PolarHBondContact OD2-NH2 3.44Å
69L57.5Low57.9Low128 Ų12884.1 Ų84.167%0.6741%0.414SS*.Hα-helixtrans-70-36.6178.4-86.8166.5000113.8K65K65-L69 WeakPolarHBondContact O-CG 3.47Å; K65-L69 PolarHBondContact O-N 3.3Å
70D45.8Very low55.5Low108 Ų10891.7 Ų91.758%0.57845%0.449SS*.SBendtrans-88.7122.8172.1-88.5-23.7000109.8K107D70-K107 VanDerWaalsContact CB-NZ 3.26Å; D70-K107 PolarHBondContact O-NZ 2.86Å
71S36.6Very low53.3Low85 Ų8599.2 Ų99.259%0.59448%0.484SS*.SBendtrans-55.9162.5-176.356.80000116K107S71-K107 PolarHBondContact O-NZ 2.8Å
72Y33Very low50.8Low214 Ų214101 Ų10184%0.83950%0.499SS*.  trans79.391179.3-54.4-79.6000118
73R36.6Very low48.4Very low193 Ų193103.2 Ų103.273%0.72851%0.512SS*.  trans-69.3158.4144.7-77.4-176.4-174.6-170.52.2109.1D68D68-R73 IonicContact OD1-CZ 3.35Å; D68-R73 IonicContact OD1-NE 3.67Å; D68-R73 PolarHBondContact OD1-NE 3.26Å; D68-R73 IonicContact OD1-NH2 3.15Å; D68-R73 PolarHBondContact OD1-NH2 2.87Å; D68-R73 IonicContact OD2-NH2 2.7Å; D68-R73 PolarHBondContact OD2-NH2 3.44Å
74P39.5Very low46.3Very low117 Ų117112 Ų11276%0.7655%0.551SS**  cis-146-165.441.242.6-21.5000117.1
75K34Very low44.3Very low129 Ų129114.5 Ų114.556%0.56157%0.568SS**  trans69.886.9169-70.1-176.1161.9-162.90118.1E78K75-E78 WeakPolarHBondContact CD-OE1 3.35Å; K75-E78 WeakPolarHBondContact CE-OE1 3.18Å; K75-E78 IonicContact NZ-OE1 3.54Å; K75-E78 PolarHBondContact NZ-OE1 2.95Å; K75-E78 IonicContact NZ-OE2 2.79Å
76G36.5Very low42.3Very low65 Ų65117.4 Ų117.467%0.6758%0.581SS**SBendtrans-77.5-1316900000116.2
77Y38.1Very low40.6Very low226 Ų226124.7 Ų124.789%0.88661%0.611SS**THydrogen-bonded Turntrans-83.5-14.7-171.2-152.6-98.4000114.6
78E37.3Very low39.1Very low123 Ų123134.9 Ų134.958%0.57565%0.645SS**THydrogen-bonded Turntrans-91.3-6.3-179.2-72.5165.8-163.200112.8K75K75-E78 WeakPolarHBondContact CD-OE1 3.35Å; K75-E78 WeakPolarHBondContact CE-OE1 3.18Å; K75-E78 IonicContact NZ-OE1 3.54Å; K75-E78 PolarHBondContact NZ-OE1 2.95Å; K75-E78 IonicContact NZ-OE2 2.79Å
79F39.7Very low37.6Very low97 Ų97134.2 Ų134.243%0.42565%0.651SS.*Hα-helixtrans-93.4-16.2-171.4-85-84.7000116.1Q81 A82 T83F79-Q81 VanDerWaalsContact C-N 3.26Å; F79-Q81 PolarHBondContact O-N 2.97Å; F79-A82 HydrophobicContact CD1-CB 4.14Å; F79-A82 WeakPolarHBondContact O-CB 3.38Å; F79-A82 PolarHBondContact O-N 2.82Å; F79-A82 VanDerWaalsContact O-N 3.13Å; F79-T83 PolarHBondContact O-N 2.72Å; F79-T83 PolarHBondContact O-OG1 3.34Å; F79-T83 VanDerWaalsContact O-OG1 3.13Å
80E39.1Very low36.5Very low161 Ų161136.1 Ų136.175%0.75266%0.661SS**Hα-helixtrans-63.7-34.4-180-166.1174.1-156.500111.8
81Q37.8Very low36.1Very low160 Ų160136.9 Ų136.975%0.74866%0.664SS**Hα-helixtrans-72.1-37.6172.2-65-164.59.400113.1F79 T83 K84F79-Q81 VanDerWaalsContact C-N 3.26Å; F79-Q81 PolarHBondContact O-N 2.97Å; Q81-T83 PolarHBondContact O-N 3.27Å; Q81-K84 PolarHBondContact O-N 3.14Å; Q81-K84 VanDerWaalsContact O-N 3.13Å
82A35.1Very low36.5Very low40 Ų40138.2 Ų138.233%0.33167%0.671SS.*Hα-helixtrans-59.4-32.8-179.900000112.2F79 K84 I85 F86F79-A82 HydrophobicContact CD1-CB 4.14Å; F79-A82 WeakPolarHBondContact O-CB 3.38Å; F79-A82 PolarHBondContact O-N 2.82Å; F79-A82 VanDerWaalsContact O-N 3.13Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.74Å; A82-I85 PolarHBondContact O-N 2.98Å; A82-F86 PolarHBondContact O-N 3.44Å
83T35.8Very low37Very low50 Ų50133.8 Ų133.831%0.30767%0.669SS.*Hα-helixtrans-62.3-33.6178.8-49.90000112.8F79 Q81 I85 L112F79-T83 PolarHBondContact O-N 2.72Å; F79-T83 PolarHBondContact O-OG1 3.34Å; F79-T83 VanDerWaalsContact O-OG1 3.13Å; Q81-T83 PolarHBondContact O-N 3.27Å; T83-I85 VanDerWaalsContact C-N 3.28Å; T83-I85 PolarHBondContact O-N 3.47Å; T83-L112 HydrophobicContact CG2-CD2 4.31Å; T83-L112 WeakPolarHBondContact OG1-CD2 3.37Å
84K36Very low37.4Very low184 Ų184131.1 Ų131.180%0.867%0.669SS**Hα-helixtrans-73.9-17.2174.3-72-179.6177.4172.80113.6Q81 A82Q81-K84 PolarHBondContact O-N 3.14Å; Q81-K84 VanDerWaalsContact O-N 3.13Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.74Å
85I37.5Very low37.7Very low121 Ų121132 Ų13262%0.62167%0.666SS**Hα-helixtrans-93.7-37.9177.5-61.1173.9000110.3A82 T83 F87 R88A82-I85 PolarHBondContact O-N 2.98Å; T83-I85 VanDerWaalsContact C-N 3.28Å; T83-I85 PolarHBondContact O-N 3.47Å; I85-F87 VanDerWaalsContact C-N 3.33Å; I85-F87 PolarHBondContact O-N 3.32Å; I85-R88 WeakPolarHBondContact O-CB 3.49Å; I85-R88 PolarHBondContact O-N 3.04Å
86F34.9Very low38.3Very low120 Ų120131.1 Ų131.153%0.52667%0.674SS.*Hα-helixtrans-63.8-34.5-173.5-166.7-103.8000113.8A82 R88 A89 L105A82-F86 PolarHBondContact O-N 3.44Å; F86-R88 PolarHBondContact O-N 2.91Å; F86-A89 PolarHBondContact O-N 3.15Å; F86-L105 HydrophobicContact CD1-CD2 4.29Å; F86-L105 HydrophobicContact CD2-CD2 4.07Å; F86-L105 HydrophobicContact CE1-CD2 3.69Å; F86-L105 HydrophobicContact CE2-CD1 3.8Å; F86-L105 HydrophobicContact CE2-CD2 3.48Å; F86-L105 VanDerWaalsContact CE2-CD2 3.48Å; F86-L105 HydrophobicContact CE2-CG 4.18Å; F86-L105 HydrophobicContact CG-CD2 4.47Å; F86-L105 HydrophobicContact CZ-CD1 3.62Å; F86-L105 HydrophobicContact CZ-CD2 3.27Å; F86-L105 HydrophobicContact CZ-CG 4.08Å
87F34.1Very low38.8Very low196 Ų196134 Ų13486%0.8667%0.67SS**THydrogen-bonded Turntrans-65.73.5173.7-103.4-79.3000115I85I85-F87 VanDerWaalsContact C-N 3.33Å; I85-F87 PolarHBondContact O-N 3.32Å
88R33.6Very low39.2Very low234 Ų234125.7 Ų125.788%0.88364%0.64SS**THydrogen-bonded Turntrans-119.93.6-174.9-134.7174.3-171.7169.52.3115I85 F86I85-R88 WeakPolarHBondContact O-CB 3.49Å; I85-R88 PolarHBondContact O-N 3.04Å; F86-R88 PolarHBondContact O-N 2.91Å
89A31.6Very low39.4Very low67 Ų67125.3 Ų125.355%0.55464%0.641SS**  trans-14080.1-171.700000114F86F86-A89 PolarHBondContact O-N 3.15Å
90L33.7Very low39.8Very low168 Ų168122.8 Ų122.888%0.8864%0.643SS**  trans-89.5106.6171.5-91.8162.4000111.9
91L37.4Very low40.3Very low125 Ų125120.1 Ų120.165%0.65463%0.629SS**  trans49.2120.1151.2-66.5167.6000121.1L98L91-L98 HydrophobicContact CD2-CD1 4.03Å
92P44.6Very low40.8Very low112 Ų112116.2 Ų116.273%0.72761%0.612SS**  trans-107.7160.3141.136.9-29.9000112
93P43.8Very low41.3Very low122 Ų122117.6 Ų117.679%0.79262%0.618SS**  trans-89.5128-171.633.3-34.1000114.5
94N45.5Very low42Very low136 Ų136122.6 Ų122.673%0.72764%0.636SS**  trans-164.8131146.4-105-39000110.3
95L45.3Very low42.7Very low135 Ų135117.1 Ų117.171%0.70762%0.615SS**Hα-helixtrans-84.3-37.5-151.3-159.961.1000117.3L98L95-L98 HydrophobicContact CD1-CD2 4.37Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å
96P46.7Very low43.3Very low111 Ų111114.6 Ų114.672%0.72160%0.603SS**Hα-helixtrans-72.3-41.6-176.1-20.533.6000113.7L98 I99P96-L98 PolarHBondContact O-N 3.36Å; P96-I99 PolarHBondContact O-N 2.84Å
97E47.2Very low44Very low125 Ų125111.4 Ų111.458%0.58459%0.589SS**Hα-helixtrans-69.3-23-179.3-142-160.9175.100112.1I99 G100 K101E97-I99 VanDerWaalsContact C-N 3.31Å; E97-I99 PolarHBondContact O-N 3.31Å; E97-G100 PolarHBondContact O-N 2.92Å; E97-K101 PolarHBondContact O-N 2.82Å; E97-K101 VanDerWaalsContact O-N 3.13Å; E97-K101 WeakPolarHBondContact OE1-CE 3.27Å; E97-K101 IonicContact OE1-NZ 2.66Å; E97-K101 PolarHBondContact OE1-NZ 3.45Å; E97-K101 IonicContact OE2-NZ 3.91Å; E97-K101 PolarHBondContact OE2-NZ 3.35Å
98L45.4Very low45Very low52 Ų52103.8 Ų103.827%0.27256%0.559SS.*Hα-helixtrans-63.3-34.9-179.5-166.669.2000111.9L91 L95 P96 K101 I102L91-L98 HydrophobicContact CD2-CD1 4.03Å; L95-L98 HydrophobicContact CD1-CD2 4.37Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; P96-L98 PolarHBondContact O-N 3.36Å; L98-K101 CarbonylContact O-C 3.59Å; L98-K101 PolarHBondContact O-N 2.81Å; L98-I102 HydrophobicContact CD1-CD1 4.46Å; L98-I102 HydrophobicContact CD2-CD1 4.09Å; L98-I102 HydrophobicContact CG-CD1 3.74Å; L98-I102 HydrophobicContact CG-CG1 4.21Å; L98-I102 VanDerWaalsContact O-CB 3.28Å; L98-I102 WeakPolarHBondContact O-CB 3.16Å; L98-I102 VanDerWaalsContact O-CG1 3.24Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 3.47Å
99I43.2Very low46.2Very low115 Ų11596.7 Ų96.759%0.5954%0.538SS*.Hα-helixtrans-65.7-47.9179.7-60.2176.5000110.5P96 E97 K101 I102 C103P96-I99 PolarHBondContact O-N 2.84Å; E97-I99 VanDerWaalsContact C-N 3.31Å; E97-I99 PolarHBondContact O-N 3.31Å; I99-K101 VanDerWaalsContact C-N 3.28Å; I99-K101 PolarHBondContact O-N 2.95Å; I99-I102 PolarHBondContact O-N 3.03Å; I99-C103 PolarHBondContact O-N 3.31Å; I99-C103 PolarHBondContact O-SG 2.9Å; I99-C103 VanDerWaalsContact O-SG 3.4Å
100G48.2Very low47.3Very low45 Ų4594.7 Ų94.746%0.46452%0.517SS..Hα-helixtrans-63.3-33.2176.300000113.2E97 K104E97-G100 PolarHBondContact O-N 2.92Å; G100-K104 WeakPolarHBondContact O-CG 3.13Å; G100-K104 PolarHBondContact O-N 3.01Å
101K49Very low48.3Very low104 Ų10490.9 Ų90.945%0.45250%0.497SS..Hα-helixtrans-74.3-36.6173.8-73.1172.5178.7171.40112.4E97 L98 I99 K104 L105E97-K101 PolarHBondContact O-N 2.82Å; E97-K101 VanDerWaalsContact O-N 3.13Å; E97-K101 WeakPolarHBondContact OE1-CE 3.27Å; E97-K101 IonicContact OE1-NZ 2.66Å; E97-K101 PolarHBondContact OE1-NZ 3.45Å; E97-K101 IonicContact OE2-NZ 3.91Å; E97-K101 PolarHBondContact OE2-NZ 3.35Å; L98-K101 CarbonylContact O-C 3.59Å; L98-K101 PolarHBondContact O-N 2.81Å; I99-K101 VanDerWaalsContact C-N 3.28Å; I99-K101 PolarHBondContact O-N 2.95Å; K101-K104 PolarHBondContact O-N 3.35Å; K101-L105 WeakPolarHBondContact O-CB 3.41Å; K101-L105 PolarHBondContact O-N 3.08Å
102I47.8Very low49.4Very low78 Ų7888 Ų8840%0.448%0.482SS..Hα-helixtrans-66.8-45.6174.2-77.4172.2000111L98 I99 K104 L105 L106L98-I102 HydrophobicContact CD1-CD1 4.46Å; L98-I102 HydrophobicContact CD2-CD1 4.09Å; L98-I102 HydrophobicContact CG-CD1 3.74Å; L98-I102 HydrophobicContact CG-CG1 4.21Å; L98-I102 VanDerWaalsContact O-CB 3.28Å; L98-I102 WeakPolarHBondContact O-CB 3.16Å; L98-I102 VanDerWaalsContact O-CG1 3.24Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 3.47Å; I99-I102 PolarHBondContact O-N 3.03Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-L105 CarbonylContact O-C 3.55Å; I102-L105 WeakPolarHBondContact O-CA 3.28Å; I102-L105 PolarHBondContact O-N 2.92Å; I102-L106 HydrophobicContact CG2-CD1 3.76Å; I102-L106 HydrophobicContact CG2-CG 4.25Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 3.22Å
103C45.1Very low49.9Very low69 Ų6984.8 Ų84.847%0.46646%0.458SS..Hα-helixtrans-62.4-39.7176.3-66.50000111.7I99 K107I99-C103 PolarHBondContact O-N 3.31Å; I99-C103 PolarHBondContact O-SG 2.9Å; I99-C103 VanDerWaalsContact O-SG 3.4Å; C103-K107 WeakPolarHBondContact O-CB 3.48Å; C103-K107 PolarHBondContact O-N 3.48Å
104K50.5Low50.5Low156 Ų15681 Ų8168%0.67843%0.428SS*.Hα-helixtrans-63.3-39.5169.9-78.1-177.7175.6-178.70112.4G100 K101 I102 K107 C108G100-K104 WeakPolarHBondContact O-CG 3.13Å; G100-K104 PolarHBondContact O-N 3.01Å; K101-K104 PolarHBondContact O-N 3.35Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 2.8Å; K104-K107 PolarHBondContact O-N 3.07Å; K104-C108 PolarHBondContact O-N 2.94Å; K104-C108 PolarHBondContact O-SG 3.27Å
105L51.5Low51Low69 Ų6977.7 Ų77.736%0.36142%0.415SS..Hα-helixtrans-69-39.9178.1-99.1165.2000113.5F86 K101 I102 C108 L109F86-L105 HydrophobicContact CD1-CD2 4.29Å; F86-L105 HydrophobicContact CD2-CD2 4.07Å; F86-L105 HydrophobicContact CE1-CD2 3.69Å; F86-L105 HydrophobicContact CE2-CD1 3.8Å; F86-L105 HydrophobicContact CE2-CD2 3.48Å; F86-L105 VanDerWaalsContact CE2-CD2 3.48Å; F86-L105 HydrophobicContact CE2-CG 4.18Å; F86-L105 HydrophobicContact CG-CD2 4.47Å; F86-L105 HydrophobicContact CZ-CD1 3.62Å; F86-L105 HydrophobicContact CZ-CD2 3.27Å; F86-L105 HydrophobicContact CZ-CG 4.08Å; K101-L105 WeakPolarHBondContact O-CB 3.41Å; K101-L105 PolarHBondContact O-N 3.08Å; I102-L105 CarbonylContact O-C 3.55Å; I102-L105 WeakPolarHBondContact O-CA 3.28Å; I102-L105 PolarHBondContact O-N 2.92Å; L105-C108 PolarHBondContact O-N 3.06Å; L105-L109 WeakPolarHBondContact O-CB 3.43Å; L105-L109 PolarHBondContact O-N 2.61Å
106L49.5Very low52.1Low68 Ų6874.3 Ų74.336%0.35640%0.403SS..Hα-helixtrans-63.2-44.5172.3-71.9167.6000110.2I102 C108 L109 F110I102-L106 HydrophobicContact CG2-CD1 3.76Å; I102-L106 HydrophobicContact CG2-CG 4.25Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 3.22Å; L106-C108 PolarHBondContact O-N 3.05Å; L106-L109 CarbonylContact O-C 3.58Å; L106-L109 WeakPolarHBondContact O-CB 3.15Å; L106-L109 PolarHBondContact O-N 3.26Å; L106-L109 VanDerWaalsContact O-N 3.13Å; L106-F110 HydrophobicContact CB-CE2 4.06Å; L106-F110 HydrophobicContact CB-CZ 4.45Å; L106-F110 WeakPolarHBondContact O-CD2 3.37Å; L106-F110 VanDerWaalsContact O-CG 3.24Å; L106-F110 WeakPolarHBondContact O-CG 3.35Å; L106-F110 PolarHBondContact O-N 2.85Å
107K50.1Low53.2Low53 Ų5369.5 Ų69.523%0.2337%0.372CS..Hα-helixtrans-56.8-46170.3-83.9-166.8162.4-155.10112.9D70 S71 C103 K104 L109 F110 L111D70-K107 VanDerWaalsContact CB-NZ 3.26Å; D70-K107 PolarHBondContact O-NZ 2.86Å; S71-K107 PolarHBondContact O-NZ 2.8Å; C103-K107 WeakPolarHBondContact O-CB 3.48Å; C103-K107 PolarHBondContact O-N 3.48Å; K104-K107 PolarHBondContact O-N 3.07Å; K107-L109 VanDerWaalsContact C-N 3.31Å; K107-L109 PolarHBondContact O-N 2.94Å; K107-F110 PolarHBondContact O-N 2.85Å; K107-L111 WeakPolarHBondContact O-CB 3.5Å; K107-L111 PolarHBondContact O-N 3.1Å
108C55.7Low54.6Low35 Ų3563.9 Ų63.924%0.23635%0.347CS..Hα-helixtrans-62.3-38.9174.9-70.50000111.8K104 L105 L106 L111 L112K104-C108 PolarHBondContact O-N 2.94Å; K104-C108 PolarHBondContact O-SG 3.27Å; L105-C108 PolarHBondContact O-N 3.06Å; L106-C108 PolarHBondContact O-N 3.05Å; C108-L111 PolarHBondContact O-N 2.81Å; C108-L112 VanDerWaalsContact O-CB 3.3Å; C108-L112 WeakPolarHBondContact O-CB 3.33Å; C108-L112 VanDerWaalsContact O-CG 3.24Å; C108-L112 WeakPolarHBondContact O-CG 3.36Å; C108-L112 PolarHBondContact O-N 3.4Å
109L57.5Low56.4Low86 Ų8667.2 Ų67.245%0.4536%0.361SS..Hα-helixtrans-67.6-39.6176.9-168.370.5000111.6L105 L106 K107 L112 L113L105-L109 WeakPolarHBondContact O-CB 3.43Å; L105-L109 PolarHBondContact O-N 2.61Å; L106-L109 CarbonylContact O-C 3.58Å; L106-L109 WeakPolarHBondContact O-CB 3.15Å; L106-L109 PolarHBondContact O-N 3.26Å; L106-L109 VanDerWaalsContact O-N 3.13Å; K107-L109 VanDerWaalsContact C-N 3.31Å; K107-L109 PolarHBondContact O-N 2.94Å; L109-L112 PolarHBondContact O-N 3.13Å; L109-L113 HydrophobicContact CG-CD1 4.04Å; L109-L113 WeakPolarHBondContact O-CB 3.48Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 2.94Å
110F54.8Low58.3Low25 Ų2564 Ų6411%0.1134%0.344CS..Hα-helixtrans-66.6-42.5173.9-62-39.9000112.2L8 Y63 L106 K107 L112 L113 Y114L8-F110 HydrophobicContact CD1-CE1 3.39Å; L8-F110 HydrophobicContact CD1-CZ 3.52Å; L8-F110 HydrophobicContact CD2-CZ 4Å; L8-F110 HydrophobicContact CG-CZ 4.4Å; Y63-F110 HydrophobicContact CD1-CB 4.49Å; Y63-F110 AromaticContact CD1-CD1 3.67Å; Y63-F110 HydrophobicContact CD1-CD1 3.67Å; Y63-F110 HydrophobicContact CD1-CE1 4.38Å; Y63-F110 HydrophobicContact CD1-CG 4.42Å; Y63-F110 AromaticContact CE1-CD1 3.65Å; Y63-F110 HydrophobicContact CE1-CD1 3.65Å; Y63-F110 HydrophobicContact CE1-CE1 4.02Å; L106-F110 HydrophobicContact CB-CE2 4.06Å; L106-F110 HydrophobicContact CB-CZ 4.45Å; L106-F110 WeakPolarHBondContact O-CD2 3.37Å; L106-F110 VanDerWaalsContact O-CG 3.24Å; L106-F110 WeakPolarHBondContact O-CG 3.35Å; L106-F110 PolarHBondContact O-N 2.85Å; K107-F110 PolarHBondContact O-N 2.85Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L113 PolarHBondContact O-N 3.48Å; F110-Y114 WeakPolarHBondContact O-CB 3.41Å; F110-Y114 PolarHBondContact O-N 2.91Å
111L55.8Low60.3Low88 Ų8861.9 Ų61.946%0.46132%0.322SS..Hα-helixtrans-64.1-37.7173.2-80.6161.5000111.8K107 C108 C115K107-L111 WeakPolarHBondContact O-CB 3.5Å; K107-L111 PolarHBondContact O-N 3.1Å; C108-L111 PolarHBondContact O-N 2.81Å; L111-C115 VanDerWaalsContact O-CB 3.22Å; L111-C115 WeakPolarHBondContact O-CB 3.17Å; L111-C115 PolarHBondContact O-N 3.27Å; L111-C115 PolarHBondContact O-SG 3.38Å
112L59.7Low62.3Low64 Ų6458.4 Ų58.434%0.33531%0.308SS..Hα-helixtrans-66.5-49.2173.6-78.7166.1000111.8T83 C108 L109 F110 Y114 C115 S116T83-L112 HydrophobicContact CG2-CD2 4.31Å; T83-L112 WeakPolarHBondContact OG1-CD2 3.37Å; C108-L112 VanDerWaalsContact O-CB 3.3Å; C108-L112 WeakPolarHBondContact O-CB 3.33Å; C108-L112 VanDerWaalsContact O-CG 3.24Å; C108-L112 WeakPolarHBondContact O-CG 3.36Å; C108-L112 PolarHBondContact O-N 3.4Å; L109-L112 PolarHBondContact O-N 3.13Å; F110-L112 VanDerWaalsContact C-N 3.33Å; L112-Y114 VanDerWaalsContact C-N 3.33Å; L112-Y114 PolarHBondContact O-N 3.3Å; L112-C115 PolarHBondContact O-N 2.98Å; L112-S116 WeakPolarHBondContact O-CB 3.5Å; L112-S116 PolarHBondContact O-N 3.24Å; L112-S116 PolarHBondContact O-OG 3.18Å; L112-S116 VanDerWaalsContact O-OG 3.08Å
113L55.6Low64.3Low44 Ų4457.8 Ų57.823%0.2330%0.303CS..Hα-helixtrans-63.3-38.6178.1-71.6167.8000111.9T15 Y63 L109 F110 S117T15-L113 HydrophobicContact CG2-CD2 4.4Å; Y63-L113 HydrophobicContact CD2-CB 4.2Å; Y63-L113 HydrophobicContact CE1-CB 4.48Å; Y63-L113 HydrophobicContact CE1-CD1 3.97Å; Y63-L113 HydrophobicContact CE2-CB 4.12Å; Y63-L113 HydrophobicContact CE2-CD1 4.39Å; Y63-L113 HydrophobicContact CG-CB 4.42Å; L109-L113 HydrophobicContact CG-CD1 4.04Å; L109-L113 WeakPolarHBondContact O-CB 3.48Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 2.94Å; F110-L113 PolarHBondContact O-N 3.48Å; L113-S117 VanDerWaalsContact O-CB 3.26Å; L113-S117 WeakPolarHBondContact O-CB 3.19Å; L113-S117 PolarHBondContact O-N 3.4Å; L113-S117 PolarHBondContact O-OG 3.04Å
114Y55.6Low66.7Low42 Ų4254.5 Ų54.517%0.16528%0.281CS..Hα-helixtrans-61.7-53171.2172.2-110.7000111.8A60 R64 F110 L112 S117 S118A60-Y114 HydrophobicContact CB-CD2 4.05Å; A60-Y114 HydrophobicContact CB-CE2 4.21Å; A60-Y114 WeakPolarHBondContact O-CD2 3.38Å; R64-Y114 HydrophobicContact CB-CD2 3.84Å; R64-Y114 HydrophobicContact CB-CE2 3.69Å; R64-Y114 HydrophobicContact CG-CE2 4.17Å; F110-Y114 WeakPolarHBondContact O-CB 3.41Å; F110-Y114 PolarHBondContact O-N 2.91Å; L112-Y114 VanDerWaalsContact C-N 3.33Å; L112-Y114 PolarHBondContact O-N 3.3Å; Y114-S117 PolarHBondContact O-N 2.93Å; Y114-S118 WeakPolarHBondContact CD2-OG 3.26Å; Y114-S118 WeakPolarHBondContact CE2-OG 3.48Å; Y114-S118 VanDerWaalsContact O-CB 3.23Å; Y114-S118 WeakPolarHBondContact O-CB 3.39Å; Y114-S118 PolarHBondContact O-N 3.23Å; Y114-S118 PolarHBondContact O-OG 2.76Å
115C57.9Low68.8Low67 Ų6747.1 Ų47.145%0.45325%0.248SC..Hα-helixtrans-62.3-44.2179.8-77.70000111.6L111 L112 H119L111-C115 VanDerWaalsContact O-CB 3.22Å; L111-C115 WeakPolarHBondContact O-CB 3.17Å; L111-C115 PolarHBondContact O-N 3.27Å; L111-C115 PolarHBondContact O-SG 3.38Å; L112-C115 PolarHBondContact O-N 2.98Å; C115-H119 WeakPolarHBondContact O-CB 3.49Å; C115-H119 PolarHBondContact O-N 2.9Å
116S67.6Low70.9Confident65 Ų6546.6 Ų46.646%0.45524%0.242SC..Hα-helixtrans-61.1-49.1176.1-66.70000111.9L112 H119 I120L112-S116 WeakPolarHBondContact O-CB 3.5Å; L112-S116 PolarHBondContact O-N 3.24Å; L112-S116 PolarHBondContact O-OG 3.18Å; L112-S116 VanDerWaalsContact O-OG 3.08Å; S116-H119 PolarHBondContact O-N 3.34Å; S116-I120 WeakPolarHBondContact O-CD1 3.24Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.32Å; S116-I120 PolarHBondContact O-N 3.09Å
117S70.1Confident73.1Confident10 Ų1043.9 Ų43.97%0.0723%0.228CC..Hα-helixtrans-65-43.9-179.6-54.40000111.5L113 Y114 I120 C121L113-S117 VanDerWaalsContact O-CB 3.26Å; L113-S117 WeakPolarHBondContact O-CB 3.19Å; L113-S117 PolarHBondContact O-N 3.4Å; L113-S117 PolarHBondContact O-OG 3.04Å; Y114-S117 PolarHBondContact O-N 2.93Å; S117-I120 PolarHBondContact O-N 3.45Å; S117-C121 PolarHBondContact O-N 3.26Å; S117-C121 VanDerWaalsContact O-N 3.12Å; S117-C121 PolarHBondContact O-SG 2.94Å
118S76.3Confident75.4Confident7 Ų741.4 Ų41.45%0.04922%0.217CC..Hα-helixtrans-63.6-42.6176.1-55.80000112.1Y114 C121 I122Y114-S118 WeakPolarHBondContact CD2-OG 3.26Å; Y114-S118 WeakPolarHBondContact CE2-OG 3.48Å; Y114-S118 VanDerWaalsContact O-CB 3.23Å; Y114-S118 WeakPolarHBondContact O-CB 3.39Å; Y114-S118 PolarHBondContact O-N 3.23Å; Y114-S118 PolarHBondContact O-OG 2.76Å; S118-C121 WeakPolarHBondContact O-CB 3.3Å; S118-C121 PolarHBondContact O-N 2.98Å; S118-I122 WeakPolarHBondContact O-CG1 3.49Å; S118-I122 PolarHBondContact O-N 3.49Å
119H82.2Confident77.4Confident122 Ų12239.8 Ų39.857%0.56521%0.206SC*.Hα-helixtrans-65.7-39.8178.6-174.3-169.5000111C115 S116 C121 I122 K123C115-H119 WeakPolarHBondContact O-CB 3.49Å; C115-H119 PolarHBondContact O-N 2.9Å; S116-H119 PolarHBondContact O-N 3.34Å; H119-C121 PolarHBondContact O-N 3.37Å; H119-I122 PolarHBondContact O-N 2.88Å; H119-K123 WeakPolarHBondContact O-CB 3.23Å; H119-K123 PolarHBondContact O-N 3.41Å
120I84.4Confident79.2Confident47 Ų4738.8 Ų38.824%0.24120%0.204CC..Hα-helixtrans-58.2-48171.9-69.1161.4000110.6L23 V56 S116 S117 I122 K123 V124L23-I120 HydrophobicContact CD1-CD1 4.1Å; L23-I120 HydrophobicContact CD2-CD1 4.24Å; L23-I120 HydrophobicContact CD2-CG2 4.01Å; V56-I120 HydrophobicContact CG1-CB 4.49Å; V56-I120 HydrophobicContact CG1-CG2 4.29Å; S116-I120 WeakPolarHBondContact O-CD1 3.24Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.32Å; S116-I120 PolarHBondContact O-N 3.09Å; S117-I120 PolarHBondContact O-N 3.45Å; I120-I122 PolarHBondContact O-N 3.47Å; I120-K123 PolarHBondContact O-N 2.89Å; I120-V124 HydrophobicContact CG2-CG2 4.49Å; I120-V124 WeakPolarHBondContact O-CG2 3.15Å; I120-V124 PolarHBondContact O-N 3.39Å
121C89.7Confident81.2Confident0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-59.4-48.4178.6-610000112.2V53 V56 W57 S117 S118 H119 K123 M125 M188V53-C121 HydrophobicContact CG1-CB 3.88Å; V56-C121 VanDerWaalsContact CG1-SG 3.59Å; W57-C121 PolarHBondContact N-SG 3.27Å; W57-C121 VanDerWaalsContact N-SG 3.38Å; S117-C121 PolarHBondContact O-N 3.26Å; S117-C121 VanDerWaalsContact O-N 3.12Å; S117-C121 PolarHBondContact O-SG 2.94Å; S118-C121 WeakPolarHBondContact O-CB 3.3Å; S118-C121 PolarHBondContact O-N 2.98Å; H119-C121 PolarHBondContact O-N 3.37Å; C121-K123 VanDerWaalsContact C-N 3.33Å; C121-K123 PolarHBondContact O-N 3.03Å; C121-M125 WeakPolarHBondContact O-CG 3.22Å; C121-M125 PolarHBondContact O-N 2.85Å; C121-M125 VanDerWaalsContact O-N 3.15Å; C121-M188 HydrophobicContact CB-CE 3.72Å
122I90.8Very high83.2Confident32 Ų3233.5 Ų33.516%0.16418%0.178CC..Hα-helixtrans-61.4-42.5177-68.2164.5000110.5S118 H119 I120 M125 R126 L193 V195S118-I122 WeakPolarHBondContact O-CG1 3.49Å; S118-I122 PolarHBondContact O-N 3.49Å; H119-I122 PolarHBondContact O-N 2.88Å; I120-I122 PolarHBondContact O-N 3.47Å; I122-M125 PolarHBondContact O-N 2.9Å; I122-R126 HydrophobicContact CG2-CG 4.27Å; I122-R126 WeakPolarHBondContact O-CB 3.45Å; I122-R126 WeakPolarHBondContact O-CG 3.45Å; I122-R126 PolarHBondContact O-N 3.1Å; I122-L193 HydrophobicContact CD1-CD2 4.42Å; I122-V195 HydrophobicContact CG1-CG2 4.4Å
123K90.9Very high85Confident65 Ų6532.9 Ų32.928%0.28317%0.174SC..Hα-helixtrans-65-45.3-178-164.4-170.5-179.1-168.90112.1P28 V29 T30 H119 I120 C121 R126 S127P28-K123 PolarHBondContact O-NZ 3.39Å; V29-K123 VanDerWaalsContact C-NZ 3.34Å; V29-K123 WeakPolarHBondContact O-CE 3.45Å; V29-K123 PolarHBondContact O-NZ 2.9Å; T30-K123 WeakPolarHBondContact O-CG 3.41Å; H119-K123 WeakPolarHBondContact O-CB 3.23Å; H119-K123 PolarHBondContact O-N 3.41Å; I120-K123 PolarHBondContact O-N 2.89Å; C121-K123 VanDerWaalsContact C-N 3.33Å; C121-K123 PolarHBondContact O-N 3.03Å; K123-R126 PolarHBondContact O-N 2.68Å; K123-S127 WeakPolarHBondContact O-CB 3.42Å; K123-S127 PolarHBondContact O-N 3.21Å; K123-S127 PolarHBondContact O-OG 3Å
124V93.8Very high86.9Confident0 Ų034 Ų340%020%0.195CC..Hα-helixtrans-58.1-51.6174173.70000110.5G31 L32 F33 N49 V53 I120 R126 S127 L128G31-V124 VanDerWaalsContact O-CG2 3.28Å; G31-V124 WeakPolarHBondContact O-CG2 3.5Å; L32-V124 HydrophobicContact CD2-CG1 4.22Å; F33-V124 HydrophobicContact CD2-CG1 4.38Å; F33-V124 HydrophobicContact CD2-CG2 4.25Å; F33-V124 HydrophobicContact CE2-CG1 4.33Å; F33-V124 HydrophobicContact CE2-CG2 3.78Å; F33-V124 HydrophobicContact CZ-CG2 4.44Å; N49-V124 HydrophobicContact CB-CG1 4.24Å; V53-V124 HydrophobicContact CG2-CB 3.75Å; V53-V124 HydrophobicContact CG2-CG1 3.55Å; V53-V124 HydrophobicContact CG2-CG2 4.22Å; I120-V124 HydrophobicContact CG2-CG2 4.49Å; I120-V124 WeakPolarHBondContact O-CG2 3.15Å; I120-V124 PolarHBondContact O-N 3.39Å; V124-R126 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 3.21Å; V124-S127 PolarHBondContact O-N 3.34Å; V124-L128 HydrophobicContact CG1-CD1 4.49Å; V124-L128 PolarHBondContact O-N 3.32Å
125M96.1Very high88.8Confident0 Ų032.4 Ų32.40%019%0.189CC..Hα-helixtrans-65.1-36.6-177.4-65.4-66.5-77.700112.3V50 C121 I122 L128 L129 Y181 T184 L185 M188 V195V50-M125 HydrophobicContact CG2-SD 4.27Å; C121-M125 WeakPolarHBondContact O-CG 3.22Å; C121-M125 PolarHBondContact O-N 2.85Å; C121-M125 VanDerWaalsContact O-N 3.15Å; I122-M125 PolarHBondContact O-N 2.9Å; M125-L128 PolarHBondContact O-N 3.02Å; M125-L129 PolarHBondContact O-N 2.72Å; M125-Y181 HydrophobicContact CB-CE2 4.31Å; M125-Y181 HydrophobicContact CE-CD2 3.5Å; M125-Y181 VanDerWaalsContact CE-CD2 3.5Å; M125-Y181 HydrophobicContact CE-CE2 3.48Å; M125-Y181 VanDerWaalsContact CE-CE2 3.48Å; M125-Y181 HydrophobicContact CE-CG 4.35Å; M125-Y181 HydrophobicContact SD-CD2 3.89Å; M125-Y181 HydrophobicContact SD-CE2 3.92Å; M125-T184 HydrophobicContact CE-CG2 4.06Å; M125-L185 HydrophobicContact CE-CB 4.07Å; M125-M188 HydrophobicContact CE-SD 4.41Å; M125-M188 HydrophobicContact CG-CE 4.26Å; M125-M188 HydrophobicContact CG-SD 3.89Å; M125-V195 HydrophobicContact CB-CG1 3.73Å; M125-V195 HydrophobicContact CB-CG2 4.47Å
126R95.4Very high90.7Very high59 Ų5929.6 Ų29.622%0.22317%0.171CC..Hα-helixtrans-70.9-33.5173.9-74.4-16861.471.88.1113.5I122 K123 V124 L129 T130 V195 E201I122-R126 HydrophobicContact CG2-CG 4.27Å; I122-R126 WeakPolarHBondContact O-CB 3.45Å; I122-R126 WeakPolarHBondContact O-CG 3.45Å; I122-R126 PolarHBondContact O-N 3.1Å; K123-R126 PolarHBondContact O-N 2.68Å; V124-R126 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 3.21Å; R126-L129 PolarHBondContact O-N 2.74Å; R126-T130 WeakPolarHBondContact O-CB 3.38Å; R126-T130 PolarHBondContact O-N 3.44Å; R126-T130 PolarHBondContact O-OG1 2.88Å; R126-V195 VanDerWaalsContact CD-O 3.25Å; R126-V195 WeakPolarHBondContact CD-O 3.24Å; R126-V195 HydrophobicContact CG-CG1 3.84Å; R126-V195 WeakPolarHBondContact CG-O 3.38Å; R126-V195 PolarHBondContact NH1-O 3.01Å; R126-E201 IonicContact CZ-OE1 2.68Å; R126-E201 VanDerWaalsContact CZ-OE1 3.29Å; R126-E201 IonicContact CZ-OE2 2.68Å; R126-E201 VanDerWaalsContact NH1-CD 3.28Å; R126-E201 IonicContact NH1-OE1 3.83Å; R126-E201 PolarHBondContact NH1-OE1 3.48Å; R126-E201 IonicContact NH1-OE2 2.73Å; R126-E201 PolarHBondContact NH1-OE2 2.92Å; R126-E201 IonicContact NH2-OE1 2.69Å; R126-E201 PolarHBondContact NH2-OE1 3.37Å; R126-E201 IonicContact NH2-OE2 3.79Å
127S96Very high92Very high11 Ų1131.3 Ų31.38%0.07718%0.175CC..Hα-helixtrans-65.4-42.1172.2-75.20000111.2T30 K123 V124 T130 C131T30-S127 PolarHBondContact O-OG 3.27Å; K123-S127 WeakPolarHBondContact O-CB 3.42Å; K123-S127 PolarHBondContact O-N 3.21Å; K123-S127 PolarHBondContact O-OG 3Å; V124-S127 PolarHBondContact O-N 3.34Å; S127-T130 WeakPolarHBondContact O-CB 3.19Å; S127-T130 PolarHBondContact O-N 2.97Å; S127-C131 PolarHBondContact O-N 3.32Å; S127-C131 PolarHBondContact O-SG 3.49Å
128L97.1Very high93.2Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-62.1-43.7170.8-66.7178.2000112.3L32 V46 N49 V50 V124 M125 T130 C131 F132 Y181L32-L128 HydrophobicContact CD2-CD2 3.88Å; L32-L128 HydrophobicContact CD2-CG 3.94Å; V46-L128 HydrophobicContact CG2-CD2 4.34Å; N49-L128 HydrophobicContact CB-CD1 4.1Å; N49-L128 HydrophobicContact CB-CD2 4.46Å; V50-L128 HydrophobicContact CG2-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CD1 4.49Å; V124-L128 PolarHBondContact O-N 3.32Å; M125-L128 PolarHBondContact O-N 3.02Å; L128-T130 VanDerWaalsContact C-N 3.27Å; L128-T130 PolarHBondContact O-N 3.19Å; L128-C131 VanDerWaalsContact O-CB 3.3Å; L128-C131 WeakPolarHBondContact O-CB 3.41Å; L128-C131 PolarHBondContact O-N 3.06Å; L128-F132 HydrophobicContact CB-CE2 4.06Å; L128-F132 HydrophobicContact CB-CZ 4.32Å; L128-F132 WeakPolarHBondContact O-CD2 3.3Å; L128-F132 VanDerWaalsContact O-CG 3.26Å; L128-F132 WeakPolarHBondContact O-CG 3.13Å; L128-F132 PolarHBondContact O-N 3.43Å; L128-Y181 HydrophobicContact CB-CD2 4.11Å; L128-Y181 HydrophobicContact CB-CE2 3.95Å; L128-Y181 HydrophobicContact CD1-CD2 4.01Å; L128-Y181 HydrophobicContact CD1-CE2 4.48Å
129L97.3Very high94.1Very high1 Ų131.5 Ų31.51%0.00517%0.174CC..Hα-helixtrans-56.2-42.8173.6-174.457000111.9M125 R126 F132 M133 Y181 V196 E201 F204 V205M125-L129 PolarHBondContact O-N 2.72Å; R126-L129 PolarHBondContact O-N 2.74Å; L129-F132 PolarHBondContact O-N 3.42Å; L129-M133 HydrophobicContact CD1-CG 4.38Å; L129-M133 HydrophobicContact CD1-SD 4.31Å; L129-M133 HydrophobicContact CG-CG 4.5Å; L129-M133 HydrophobicContact CG-SD 3.99Å; L129-M133 WeakPolarHBondContact O-CB 3.39Å; L129-M133 WeakPolarHBondContact O-CG 3.46Å; L129-M133 PolarHBondContact O-N 3.44Å; L129-Y181 WeakPolarHBondContact CB-OH 3.05Å; L129-V196 HydrophobicContact CD2-CG2 4.49Å; L129-E201 HydrophobicContact CD2-CB 4.33Å; L129-E201 HydrophobicContact CD2-CG 4.23Å; L129-F204 HydrophobicContact CD1-CD1 3.88Å; L129-F204 HydrophobicContact CD1-CE1 4.29Å; L129-V205 HydrophobicContact CD1-CG2 4.06Å
130T96.7Very high94.7Very high66 Ų6626.8 Ų26.841%0.40515%0.152SC..Hα-helixtrans-64.1-43.7177.1-52.80000111.5R126 S127 L128 F132 M133 G134 L161R126-T130 WeakPolarHBondContact O-CB 3.38Å; R126-T130 PolarHBondContact O-N 3.44Å; R126-T130 PolarHBondContact O-OG1 2.88Å; S127-T130 WeakPolarHBondContact O-CB 3.19Å; S127-T130 PolarHBondContact O-N 2.97Å; L128-T130 VanDerWaalsContact C-N 3.27Å; L128-T130 PolarHBondContact O-N 3.19Å; T130-F132 VanDerWaalsContact C-N 3.28Å; T130-F132 PolarHBondContact O-N 2.74Å; T130-M133 PolarHBondContact O-N 3.36Å; T130-G134 PolarHBondContact O-N 3.28Å; T130-L161 HydrophobicContact CG2-CD1 3.75Å
131C96.9Very high95Very high2 Ų228.3 Ų28.31%0.01416%0.161CC..Hα-helixtrans-57-36.8173.2-74.70000113.4S127 L128 Y156 L161S127-C131 PolarHBondContact O-N 3.32Å; S127-C131 PolarHBondContact O-SG 3.49Å; L128-C131 VanDerWaalsContact O-CB 3.3Å; L128-C131 WeakPolarHBondContact O-CB 3.41Å; L128-C131 PolarHBondContact O-N 3.06Å; C131-Y156 HydrophobicContact CB-CD1 3.61Å; C131-Y156 HydrophobicContact CB-CD2 4.06Å; C131-Y156 HydrophobicContact CB-CE1 3.46Å; C131-Y156 VanDerWaalsContact CB-CE1 3.46Å; C131-Y156 HydrophobicContact CB-CE2 3.91Å; C131-Y156 HydrophobicContact CB-CG 3.92Å; C131-Y156 WeakPolarHBondContact O-CE1 3.26Å; C131-Y156 PolarHBondContact O-OH 2.7Å; C131-L161 VanDerWaalsContact SG-CA 3.59Å; C131-L161 PolarHBondContact SG-O 2.95Å
132F97.4Very high95Very high0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-77.9-43.5176.5-55.8-40000112.3V46 L128 L129 T130 G134 Q135 L152 Y156 I178 Y181 F204 L208V46-F132 HydrophobicContact CG1-CE1 4.43Å; V46-F132 HydrophobicContact CG1-CZ 3.81Å; V46-F132 HydrophobicContact CG2-CE1 3.82Å; V46-F132 HydrophobicContact CG2-CZ 3.94Å; L128-F132 HydrophobicContact CB-CE2 4.06Å; L128-F132 HydrophobicContact CB-CZ 4.32Å; L128-F132 WeakPolarHBondContact O-CD2 3.3Å; L128-F132 VanDerWaalsContact O-CG 3.26Å; L128-F132 WeakPolarHBondContact O-CG 3.13Å; L128-F132 PolarHBondContact O-N 3.43Å; L129-F132 PolarHBondContact O-N 3.42Å; T130-F132 VanDerWaalsContact C-N 3.28Å; T130-F132 PolarHBondContact O-N 2.74Å; F132-G134 PolarHBondContact O-N 2.87Å; F132-Q135 CarbonylContact O-C 3.59Å; F132-Q135 WeakPolarHBondContact O-CA 3.39Å; F132-Q135 PolarHBondContact O-N 2.96Å; F132-L152 HydrophobicContact CD1-CD1 4.14Å; F132-L152 HydrophobicContact CG-CD1 4.48Å; F132-Y156 HydrophobicContact CD1-CE2 4.4Å; F132-Y156 WeakPolarHBondContact CD1-OH 3.38Å; F132-Y156 HydrophobicContact CE1-CE2 4.07Å; F132-I178 HydrophobicContact CD1-CD1 4.13Å; F132-I178 HydrophobicContact CE1-CD1 3.53Å; F132-I178 HydrophobicContact CZ-CD1 3.82Å; F132-Y181 HydrophobicContact CD2-CD1 4.33Å; F132-Y181 HydrophobicContact CD2-CE1 4.22Å; F132-Y181 AromaticContact CE2-CD1 3.68Å; F132-Y181 HydrophobicContact CE2-CD1 3.68Å; F132-Y181 AromaticContact CE2-CD2 3.98Å; F132-Y181 HydrophobicContact CE2-CD2 3.98Å; F132-Y181 AromaticContact CE2-CE1 3.94Å; F132-Y181 HydrophobicContact CE2-CE1 3.94Å; F132-Y181 HydrophobicContact CE2-CE2 4.21Å; F132-Y181 AromaticContact CE2-CG 3.73Å; F132-Y181 HydrophobicContact CE2-CG 3.73Å; F132-Y181 HydrophobicContact CZ-CG 4.39Å; F132-F204 HydrophobicContact CB-CE1 3.54Å; F132-F204 HydrophobicContact CB-CZ 3.74Å; F132-F204 VanDerWaalsContact O-CZ 3.28Å; F132-F204 WeakPolarHBondContact O-CZ 3.49Å; F132-L208 HydrophobicContact CD2-CD1 4.24Å
133M96.8Very high94.8Very high51 Ų5127.7 Ų27.725%0.25116%0.157SC..Hα-helixtrans-62-32.8177.7-72.9177.278.600112L129 T130 Q135 A136 E201 F204 M550L129-M133 HydrophobicContact CD1-CG 4.38Å; L129-M133 HydrophobicContact CD1-SD 4.31Å; L129-M133 HydrophobicContact CG-CG 4.5Å; L129-M133 HydrophobicContact CG-SD 3.99Å; L129-M133 WeakPolarHBondContact O-CB 3.39Å; L129-M133 WeakPolarHBondContact O-CG 3.46Å; L129-M133 PolarHBondContact O-N 3.44Å; T130-M133 PolarHBondContact O-N 3.36Å; M133-Q135 PolarHBondContact O-N 2.78Å; M133-Q135 VanDerWaalsContact O-N 3.11Å; M133-A136 WeakPolarHBondContact O-CB 3.48Å; M133-A136 PolarHBondContact O-N 2.83Å; M133-A136 VanDerWaalsContact O-N 3.12Å; M133-E201 HydrophobicContact CE-CG 4.04Å; M133-E201 HydrophobicContact SD-CG 3.93Å; M133-F204 HydrophobicContact CE-CB 4.49Å; M133-F204 HydrophobicContact CG-CB 4.18Å; M133-F204 HydrophobicContact CG-CD1 3.4Å; M133-F204 HydrophobicContact CG-CD2 4.01Å; M133-F204 HydrophobicContact CG-CE1 3.72Å; M133-F204 HydrophobicContact CG-CE2 4.31Å; M133-F204 HydrophobicContact CG-CG 3.56Å; M133-F204 HydrophobicContact CG-CZ 4.19Å; M133-F204 HydrophobicContact SD-CD1 4.44Å; M133-M550 HydrophobicContact CE-SD 3.83Å
134G95.6Very high94.2Very high66 Ų6632.2 Ų32.268%0.6818%0.177SC*.THydrogen-bonded Turntrans-63.3-7.3170.100000115.3T130 F132T130-G134 PolarHBondContact O-N 3.28Å; F132-G134 PolarHBondContact O-N 2.87Å
135Q96Very high93.5Very high9 Ų933.8 Ų33.84%0.04219%0.187CC..THydrogen-bonded Turntrans-122.726.7174.1-77.9173.973.100112F132 M133 N137 K138 V139 L152 Y156F132-Q135 CarbonylContact O-C 3.59Å; F132-Q135 WeakPolarHBondContact O-CA 3.39Å; F132-Q135 PolarHBondContact O-N 2.96Å; M133-Q135 PolarHBondContact O-N 2.78Å; M133-Q135 VanDerWaalsContact O-N 3.11Å; Q135-N137 PolarHBondContact O-N 3.08Å; Q135-N137 VanDerWaalsContact O-N 3.16Å; Q135-K138 HydrophobicContact CB-CB 4.37Å; Q135-K138 HydrophobicContact CB-CD 4.44Å; Q135-K138 HydrophobicContact CG-CD 4.18Å; Q135-K138 WeakPolarHBondContact O-CB 3.46Å; Q135-K138 PolarHBondContact O-N 3.45Å; Q135-V139 PolarHBondContact O-N 3.3Å; Q135-L152 HydrophobicContact CB-CD2 3.56Å; Q135-Y156 PolarHBondContact NE2-OH 2.62Å
136A96.7Very high92.6Very high9 Ų935 Ų357%0.07419%0.193CC..Hα-helixtrans-58-29.9-17800000114.5M133 V139 E140 F204 M550 L552M133-A136 WeakPolarHBondContact O-CB 3.48Å; M133-A136 PolarHBondContact O-N 2.83Å; M133-A136 VanDerWaalsContact O-N 3.12Å; A136-V139 PolarHBondContact O-N 3.13Å; A136-E140 PolarHBondContact O-N 3.21Å; A136-E140 VanDerWaalsContact O-N 3.13Å; A136-F204 HydrophobicContact CB-CD2 4.17Å; A136-F204 HydrophobicContact CB-CE2 3.81Å; A136-M550 HydrophobicContact CB-CB 4.49Å; A136-L552 HydrophobicContact CB-CD2 4.43Å
137N96Very high91.6Very high100 Ų10032.9 Ų32.954%0.53519%0.187SC..Hα-helixtrans-61.1-45.2171.465.8-56.9000111.7Q135 V139 E140 D141Q135-N137 PolarHBondContact O-N 3.08Å; Q135-N137 VanDerWaalsContact O-N 3.16Å; N137-V139 VanDerWaalsContact C-N 3.28Å; N137-V139 PolarHBondContact O-N 3.28Å; N137-E140 PolarHBondContact O-N 3.28Å; N137-D141 PolarHBondContact O-N 3.13Å
138K95.1Very high90.9Very high21 Ų2133.9 Ų33.99%0.09119%0.194CC..Hα-helixtrans-64-34.5178.1-68-173.864.5-174.60111.7Q135 D141 F142 K149 D150 A151 H153 D167Q135-K138 HydrophobicContact CB-CB 4.37Å; Q135-K138 HydrophobicContact CB-CD 4.44Å; Q135-K138 HydrophobicContact CG-CD 4.18Å; Q135-K138 WeakPolarHBondContact O-CB 3.46Å; Q135-K138 PolarHBondContact O-N 3.45Å; K138-D141 PolarHBondContact O-N 2.66Å; K138-F142 WeakPolarHBondContact O-CB 3.36Å; K138-F142 PolarHBondContact O-N 2.62Å; K138-K149 WeakPolarHBondContact CE-O 3.2Å; K138-D150 WeakPolarHBondContact CB-O 3.36Å; K138-A151 WeakPolarHBondContact CE-O 3.37Å; K138-A151 PolarHBondContact NZ-O 3.49Å; K138-H153 PolarHBondContact NZ-CD2 3.21Å; K138-H153 PolarHBondContact NZ-NE2 2.9Å; K138-D167 IonicContact NZ-OD1 3.29Å; K138-D167 PolarHBondContact NZ-OD1 3.26Å
139V95.1Very high90.3Very high0 Ų039.2 Ų39.20%022%0.217CC..Hα-helixtrans-64.5-39.4172.1-177.40000111.8Q135 A136 N137 K143 L152 F204 N207 L208 Y211Q135-V139 PolarHBondContact O-N 3.3Å; A136-V139 PolarHBondContact O-N 3.13Å; N137-V139 VanDerWaalsContact C-N 3.28Å; N137-V139 PolarHBondContact O-N 3.28Å; V139-K143 WeakPolarHBondContact O-CG 3.48Å; V139-K143 PolarHBondContact O-N 2.94Å; V139-L152 HydrophobicContact CG2-CD1 4.03Å; V139-L152 HydrophobicContact CG2-CD2 3.8Å; V139-L152 HydrophobicContact CG2-CG 4.04Å; V139-F204 HydrophobicContact CG2-CE2 4.11Å; V139-F204 HydrophobicContact CG2-CZ 4.1Å; V139-N207 HydrophobicContact CG1-CB 4.06Å; V139-L208 HydrophobicContact CG2-CD2 4.22Å; V139-Y211 HydrophobicContact CG1-CD2 4.41Å
140E94.4Very high89.9Confident23 Ų2340.2 Ų40.211%0.10722%0.222CC..Hα-helixtrans-67.6-47.1174-178.559.2-133.500112.2A136 N137 F142 K143 L552 T553 R556A136-E140 PolarHBondContact O-N 3.21Å; A136-E140 VanDerWaalsContact O-N 3.13Å; N137-E140 PolarHBondContact O-N 3.28Å; E140-F142 PolarHBondContact O-N 3.21Å; E140-K143 PolarHBondContact O-N 2.94Å; E140-K143 IonicContact OE1-NZ 3.4Å; E140-K143 WeakPolarHBondContact OE2-CE 3.26Å; E140-K143 IonicContact OE2-NZ 3.3Å; E140-K143 PolarHBondContact OE2-NZ 3.4Å; E140-L552 HydrophobicContact CB-CD2 4.35Å; E140-T553 PolarHBondContact OE1-OG1 3.13Å; E140-T553 VanDerWaalsContact OE1-OG1 3.12Å; E140-T553 PolarHBondContact OE2-N 3.32Å; E140-R556 IonicContact OE1-CZ 2.9Å; E140-R556 IonicContact OE1-NE 3.38Å; E140-R556 PolarHBondContact OE1-NE 2.62Å; E140-R556 IonicContact OE1-NH2 3.51Å; E140-R556 PolarHBondContact OE1-NH2 2.58Å
141D91.8Very high89.7Confident80 Ų8037 Ų3743%0.42820%0.203SC..Hα-helixtrans-61.5-44.8178.1-75.3-48.1000111.6N137 K138 K143 K144 S145 D150N137-D141 PolarHBondContact O-N 3.13Å; K138-D141 PolarHBondContact O-N 2.66Å; D141-K143 VanDerWaalsContact C-N 3.33Å; D141-K143 PolarHBondContact O-N 2.84Å; D141-K144 WeakPolarHBondContact O-CA 3.36Å; D141-K144 WeakPolarHBondContact O-CB 3.3Å; D141-K144 PolarHBondContact O-N 2.87Å; D141-S145 PolarHBondContact O-N 3.05Å; D141-S145 PolarHBondContact O-OG 3.31Å; D141-S145 VanDerWaalsContact O-OG 3.14Å; D141-D150 HydrophobicContact CB-CB 4.32Å
142F88.9Confident89.6Confident2 Ų237 Ų371%0.00920%0.203CC..Hα-helixtrans-62.9-33.8179.3-170.5-92.9000113.1K138 E140 K144 Q146 D150 A151 L173 Y211 I218K138-F142 WeakPolarHBondContact O-CB 3.36Å; K138-F142 PolarHBondContact O-N 2.62Å; E140-F142 PolarHBondContact O-N 3.21Å; F142-K144 PolarHBondContact O-N 3.43Å; F142-K144 VanDerWaalsContact O-N 3.08Å; F142-Q146 VanDerWaalsContact CE2-C 3.47Å; F142-Q146 WeakPolarHBondContact O-CA 3.39Å; F142-Q146 WeakPolarHBondContact O-CG 3.34Å; F142-Q146 PolarHBondContact O-N 3.06Å; F142-D150 HydrophobicContact CB-CB 4.09Å; F142-D150 HydrophobicContact CD2-CB 4.19Å; F142-A151 HydrophobicContact CD2-CB 4.42Å; F142-A151 HydrophobicContact CE2-CB 4.19Å; F142-L173 HydrophobicContact CE2-CD1 3.82Å; F142-L173 HydrophobicContact CE2-CD2 4.29Å; F142-L173 HydrophobicContact CZ-CD1 3.64Å; F142-L173 HydrophobicContact CZ-CD2 4.48Å; F142-Y211 HydrophobicContact CB-CD2 4.03Å; F142-Y211 HydrophobicContact CB-CE2 3.88Å; F142-Y211 AromaticContact CD1-CD2 3.28Å; F142-Y211 HydrophobicContact CD1-CD2 3.28Å; F142-Y211 AromaticContact CD1-CE2 3.29Å; F142-Y211 HydrophobicContact CD1-CE2 3.29Å; F142-Y211 HydrophobicContact CD1-CG 4.03Å; F142-Y211 HydrophobicContact CD2-CE2 4.05Å; F142-Y211 AromaticContact CE1-CD2 3.87Å; F142-Y211 HydrophobicContact CE1-CD2 3.87Å; F142-Y211 HydrophobicContact CE1-CE1 4.41Å; F142-Y211 AromaticContact CE1-CE2 3.71Å; F142-Y211 HydrophobicContact CE1-CE2 3.71Å; F142-Y211 HydrophobicContact CE1-CG 4.27Å; F142-Y211 AromaticContact CE1-CZ 3.99Å; F142-Y211 HydrophobicContact CE2-CE2 4.41Å; F142-Y211 AromaticContact CG-CD2 3.8Å; F142-Y211 HydrophobicContact CG-CD2 3.8Å; F142-Y211 AromaticContact CG-CE2 3.47Å; F142-Y211 HydrophobicContact CG-CE2 3.47Å; F142-Y211 VanDerWaalsContact CG-CE2 3.47Å; F142-Y211 HydrophobicContact CZ-CE2 4.25Å; F142-I218 HydrophobicContact CE1-CD1 3.72Å; F142-I218 HydrophobicContact CZ-CD1 3.59Å
143K86Confident89.4Confident16 Ų1637.2 Ų37.27%0.0720%0.203CC..Hα-helixtrans-59.5-21172.5-75.2-179.5-58.61740113.1V139 E140 D141 N207 F210 G554 R556V139-K143 WeakPolarHBondContact O-CG 3.48Å; V139-K143 PolarHBondContact O-N 2.94Å; E140-K143 PolarHBondContact O-N 2.94Å; E140-K143 IonicContact OE1-NZ 3.4Å; E140-K143 WeakPolarHBondContact OE2-CE 3.26Å; E140-K143 IonicContact OE2-NZ 3.3Å; E140-K143 PolarHBondContact OE2-NZ 3.4Å; D141-K143 VanDerWaalsContact C-N 3.33Å; D141-K143 PolarHBondContact O-N 2.84Å; K143-N207 PolarHBondContact NZ-OD1 2.73Å; K143-F210 HydrophobicContact CD-CB 3.82Å; K143-F210 HydrophobicContact CD-CD2 4.33Å; K143-F210 HydrophobicContact CG-CB 4.28Å; K143-G554 PolarHBondContact NZ-O 2.85Å; K143-R556 HydrophobicContact CB-CG 4.09Å
144K79.3Confident89.2Confident161 Ų16135 Ų3570%0.719%0.193SC*.Hα-helixtrans-102.8-47.1178.5-177.9-170.6173.7-169.80113D141 F142D141-K144 WeakPolarHBondContact O-CA 3.36Å; D141-K144 WeakPolarHBondContact O-CB 3.3Å; D141-K144 PolarHBondContact O-N 2.87Å; F142-K144 PolarHBondContact O-N 3.43Å; F142-K144 VanDerWaalsContact O-N 3.08Å
145S79.2Confident89.1Confident32 Ų3232 Ų3222%0.22416%0.161CC..Hα-helixtrans-86.5-31.4-175.366.10000113.3D141 S147 D150D141-S145 PolarHBondContact O-N 3.05Å; D141-S145 PolarHBondContact O-OG 3.31Å; D141-S145 VanDerWaalsContact O-OG 3.14Å; S145-S147 PolarHBondContact O-N 3.2Å; S145-S147 PolarHBondContact OG-N 2.96Å; S145-D150 VanDerWaalsContact CB-OD2 3.26Å; S145-D150 WeakPolarHBondContact CB-OD2 3.23Å; S145-D150 VanDerWaalsContact OG-CG 3.26Å; S145-D150 PolarHBondContact OG-OD2 3.39Å
146Q76.2Confident89.1Confident27 Ų2731.6 Ų31.613%0.12616%0.159CC..  trans50.523-172.2-58.3176.8-5.900113.6F142 I218F142-Q146 VanDerWaalsContact CE2-C 3.47Å; F142-Q146 WeakPolarHBondContact O-CA 3.39Å; F142-Q146 WeakPolarHBondContact O-CG 3.34Å; F142-Q146 PolarHBondContact O-N 3.06Å; Q146-I218 HydrophobicContact CB-CB 4.08Å; Q146-I218 HydrophobicContact CB-CD1 4.18Å; Q146-I218 HydrophobicContact CB-CG1 3.77Å; Q146-I218 HydrophobicContact CB-CG2 3.61Å; Q146-I218 HydrophobicContact CG-CG1 4.09Å; Q146-I218 WeakPolarHBondContact O-CG2 3.25Å
147S75.9Confident89.1Confident14 Ų1431.6 Ų31.610%0.09816%0.159CC..  trans-98.3149.9-166.6940000113.1S145 K149 D150S145-S147 PolarHBondContact O-N 3.2Å; S145-S147 PolarHBondContact OG-N 2.96Å; S147-K149 PolarHBondContact O-N 3.48Å; S147-K149 VanDerWaalsContact O-N 3.08Å; S147-K149 WeakPolarHBondContact OG-CE 3.41Å; S147-K149 WeakPolarHBondContact OG-CG 3.24Å; S147-D150 PolarHBondContact O-N 3Å; S147-D150 PolarHBondContact OG-OD2 3.1Å
148P80.7Confident88.8Confident32 Ų3226.9 Ų26.921%0.20813%0.133CC..G310 helixtrans-56.2-29.5-173.9-27.934.7000116D150 A151 L173 Y239P148-D150 VanDerWaalsContact C-N 3.28Å; P148-D150 PolarHBondContact O-N 3.36Å; P148-A151 VanDerWaalsContact O-CB 3.29Å; P148-A151 WeakPolarHBondContact O-CB 3.29Å; P148-A151 PolarHBondContact O-N 2.88Å; P148-L173 HydrophobicContact CB-CB 4.39Å; P148-L173 HydrophobicContact CB-CD2 4.29Å; P148-L173 HydrophobicContact CG-CD2 4.01Å; P148-Y239 HydrophobicContact CB-CE2 4.38Å
149K84.4Confident88.6Confident112 Ų11228.6 Ų28.649%0.48715%0.147SC..G310 helixtrans-66.2-31177.881.1-165-179.9176.70112.5K138 S147 A151K138-K149 WeakPolarHBondContact CE-O 3.2Å; S147-K149 PolarHBondContact O-N 3.48Å; S147-K149 VanDerWaalsContact O-N 3.08Å; S147-K149 WeakPolarHBondContact OG-CE 3.41Å; S147-K149 WeakPolarHBondContact OG-CG 3.24Å; K149-A151 VanDerWaalsContact C-N 3.32Å
150D88.8Confident88.4Confident21 Ų2135.4 Ų35.411%0.11218%0.179CC..G310 helixtrans-91.9-0.7-176.5-45.1-64.7000110.8K138 D141 F142 S145 S147 P148K138-D150 WeakPolarHBondContact CB-O 3.36Å; D141-D150 HydrophobicContact CB-CB 4.32Å; F142-D150 HydrophobicContact CB-CB 4.09Å; F142-D150 HydrophobicContact CD2-CB 4.19Å; S145-D150 VanDerWaalsContact CB-OD2 3.26Å; S145-D150 WeakPolarHBondContact CB-OD2 3.23Å; S145-D150 VanDerWaalsContact OG-CG 3.26Å; S145-D150 PolarHBondContact OG-OD2 3.39Å; S147-D150 PolarHBondContact O-N 3Å; S147-D150 PolarHBondContact OG-OD2 3.1Å; P148-D150 VanDerWaalsContact C-N 3.28Å; P148-D150 PolarHBondContact O-N 3.36Å
151A91.6Very high88.3Confident0 Ų036.2 Ų36.20%018%0.184CC..SBendtrans-69.2145.7178.900000112.2K138 F142 P148 K149 L173 Y211K138-A151 WeakPolarHBondContact CE-O 3.37Å; K138-A151 PolarHBondContact NZ-O 3.49Å; F142-A151 HydrophobicContact CD2-CB 4.42Å; F142-A151 HydrophobicContact CE2-CB 4.19Å; P148-A151 VanDerWaalsContact O-CB 3.29Å; P148-A151 WeakPolarHBondContact O-CB 3.29Å; P148-A151 PolarHBondContact O-N 2.88Å; K149-A151 VanDerWaalsContact C-N 3.32Å; A151-L173 HydrophobicContact CB-CB 3.68Å; A151-L173 HydrophobicContact CB-CD1 3.85Å; A151-L173 HydrophobicContact CB-CG 4.26Å; A151-Y211 WeakPolarHBondContact CA-OH 3.48Å; A151-Y211 WeakPolarHBondContact CB-OH 3.43Å
152L95.1Very high88.5Confident2 Ų234.6 Ų34.61%0.0118%0.179CC..PPolyproline II helixtrans-58.9144.5170.5-73.7174.2000111.1F132 Q135 V139 A154 H172 I178 L208 Y211F132-L152 HydrophobicContact CD1-CD1 4.14Å; F132-L152 HydrophobicContact CG-CD1 4.48Å; Q135-L152 HydrophobicContact CB-CD2 3.56Å; V139-L152 HydrophobicContact CG2-CD1 4.03Å; V139-L152 HydrophobicContact CG2-CD2 3.8Å; V139-L152 HydrophobicContact CG2-CG 4.04Å; L152-A154 PolarHBondContact O-N 3.38Å; L152-H172 VanDerWaalsContact O-O 3.12Å; L152-I178 HydrophobicContact CB-CD1 4.11Å; L152-I178 HydrophobicContact CD1-CD1 3.84Å; L152-I178 HydrophobicContact CD1-CG1 4.28Å; L152-L208 HydrophobicContact CD1-CD2 3.65Å; L152-Y211 HydrophobicContact CD1-CE2 4.48Å; L152-Y211 HydrophobicContact CG-CE2 4.19Å; L152-Y211 PolarHBondContact N-OH 3.27Å
153H94.8Very high88.7Confident4 Ų437.3 Ų37.32%0.01920%0.197CC..PPolyproline II helixtrans-71.1126.5179.2-76-163.7000112.4K138 K155 Y156 P163 V165 D167 H172K138-H153 PolarHBondContact NZ-CD2 3.21Å; K138-H153 PolarHBondContact NZ-NE2 2.9Å; H153-K155 PolarHBondContact O-N 3.15Å; H153-Y156 HydrophobicContact CB-CE1 4.39Å; H153-Y156 HydrophobicContact CB-CE2 4.43Å; H153-Y156 WeakPolarHBondContact O-CE2 3.26Å; H153-Y156 PolarHBondContact O-OH 2.83Å; H153-P163 WeakPolarHBondContact ND1-CB 3.46Å; H153-V165 PolarHBondContact CE1-O 2.87Å; H153-D167 IonicContact CD2-OD1 3.83Å; H153-D167 IonicContact CE1-OD1 2.77Å; H153-D167 IonicContact NE2-OD1 3.97Å; H153-D167 PolarHBondContact NE2-OD1 3.44Å; H153-H172 WeakPolarHBondContact CA-ND1 3.29Å; H153-H172 AromaticContact CD2-CD2 3.69Å; H153-H172 AromaticContact CD2-CE1 3.74Å; H153-H172 AromaticContact CD2-CG 3.79Å; H153-H172 AromaticContact CD2-ND1 3.84Å; H153-H172 AromaticContact CD2-NE2 3.67Å; H153-H172 AromaticContact CE1-NE2 3.7Å; H153-H172 AromaticContact CG-CE1 3.51Å; H153-H172 AromaticContact CG-ND1 3.78Å; H153-H172 AromaticContact CG-NE2 3.83Å; H153-H172 AromaticContact ND1-CE1 3.72Å; H153-H172 AromaticContact ND1-NE2 3.88Å; H153-H172 AromaticContact NE2-CD2 3.78Å; H153-H172 AromaticContact NE2-NE2 3.59Å
154A92.7Very high89Confident3 Ų339.4 Ų39.43%0.02521%0.208CC..SBendtrans-65.3-17.2172.300000115.6V46 L152 H172 Q174V46-A154 WeakPolarHBondContact CG2-O 3.32Å; V46-A154 PolarHBondContact N-O 2.94Å; L152-A154 PolarHBondContact O-N 3.38Å; A154-H172 PolarHBondContact N-ND1 3.43Å; A154-Q174 HydrophobicContact CB-CB 4.47Å; A154-Q174 VanDerWaalsContact CB-CD 3.47Å; A154-Q174 HydrophobicContact CB-CG 4.24Å; A154-Q174 VanDerWaalsContact CB-NE2 3.29Å
155K93.3Very high89.5Confident4 Ų433.5 Ų33.52%0.01719%0.185CC..EExtended strand (participates in β ladder)trans-144.4144.1-176.866.8-174.9-178.2179.60113.3A44 W45 H153 I164 V165 W170A44-K155 CarbonylContact O-C 3.5Å; A44-K155 VanDerWaalsContact O-CA 3.31Å; A44-K155 WeakPolarHBondContact O-CA 3.46Å; W45-K155 HydrophobicContact CD2-CB 4.01Å; W45-K155 HydrophobicContact CD2-CD 4.36Å; W45-K155 HydrophobicContact CG-CB 4.07Å; W45-K155 HydrophobicContact CH2-CD 4.2Å; W45-K155 HydrophobicContact CZ2-CD 3.64Å; H153-K155 PolarHBondContact O-N 3.15Å; K155-I164 HydrophobicContact CG-CG2 4.27Å; K155-V165 HydrophobicContact CG-CG2 4.39Å; K155-W170 HydrophobicContact CD-CD2 4.32Å; K155-W170 HydrophobicContact CD-CG 4.44Å; K155-W170 HydrophobicContact CD-CZ2 4.44Å; K155-W170 VanDerWaalsContact CE-CD2 3.47Å; K155-W170 VanDerWaalsContact NZ-CH2 3.3Å; K155-W170 VanDerWaalsContact NZ-CZ2 3.34Å
156Y96Very high90Very high0 Ų033.3 Ų33.30%019%0.189CC..EExtended strand (participates in β ladder)trans-132.2165.5-169.6-69.3-88.8000112.6H43 A44 V46 C131 F132 Q135 H153 A158 S162H43-Y156 WeakPolarHBondContact CA-O 3.42Å; A44-Y156 PolarHBondContact N-O 3.35Å; A44-Y156 PolarHBondContact O-N 3.37Å; V46-Y156 HydrophobicContact CG2-CD2 4.08Å; V46-Y156 HydrophobicContact CG2-CE2 3.79Å; C131-Y156 HydrophobicContact CB-CD1 3.61Å; C131-Y156 HydrophobicContact CB-CD2 4.06Å; C131-Y156 HydrophobicContact CB-CE1 3.46Å; C131-Y156 VanDerWaalsContact CB-CE1 3.46Å; C131-Y156 HydrophobicContact CB-CE2 3.91Å; C131-Y156 HydrophobicContact CB-CG 3.92Å; C131-Y156 WeakPolarHBondContact O-CE1 3.26Å; C131-Y156 PolarHBondContact O-OH 2.7Å; F132-Y156 HydrophobicContact CD1-CE2 4.4Å; F132-Y156 WeakPolarHBondContact CD1-OH 3.38Å; F132-Y156 HydrophobicContact CE1-CE2 4.07Å; Q135-Y156 PolarHBondContact NE2-OH 2.62Å; H153-Y156 HydrophobicContact CB-CE1 4.39Å; H153-Y156 HydrophobicContact CB-CE2 4.43Å; H153-Y156 WeakPolarHBondContact O-CE2 3.26Å; H153-Y156 PolarHBondContact O-OH 2.83Å; Y156-A158 PolarHBondContact O-N 2.77Å; Y156-S162 WeakPolarHBondContact CA-O 3.36Å; Y156-S162 WeakPolarHBondContact CD1-O 3.32Å
157S95Very high90.5Very high9 Ų935.5 Ų35.56%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-71.5119.9163.1177.30000110C159 H160 L161 S162S157-C159 VanDerWaalsContact C-N 3.27Å; S157-C159 PolarHBondContact O-N 3.12Å; S157-C159 PolarHBondContact OG-SG 3.37Å; S157-H160 PolarHBondContact OG-N 2.94Å; S157-H160 PolarHBondContact OG-ND1 3.47Å; S157-L161 WeakPolarHBondContact O-CA 3.49Å; S157-L161 PolarHBondContact O-N 3.49Å; S157-S162 PolarHBondContact N-O 3.22Å
158A90.8Very high90.9Very high1 Ų142.5 Ų42.51%0.00823%0.232CC..THydrogen-bonded Turntrans-62.9-31.9-177.800000113.1D27 T30 L32 C34 G42 A44 Y156D27-A158 HydrophobicContact CB-CB 4.41Å; T30-A158 WeakPolarHBondContact CB-O 3.38Å; T30-A158 WeakPolarHBondContact CG2-O 3.37Å; T30-A158 PolarHBondContact OG1-O 2.81Å; L32-A158 HydrophobicContact CB-CB 4.33Å; C34-A158 WeakPolarHBondContact SG-CB 3.3Å; G42-A158 WeakPolarHBondContact O-CB 3.48Å; G42-A158 PolarHBondContact O-N 2.98Å; A44-A158 HydrophobicContact CB-CB 4.05Å; Y156-A158 PolarHBondContact O-N 2.77Å
159C89.9Confident91.1Very high57 Ų5746.3 Ų46.339%0.38525%0.251SS..THydrogen-bonded Turntrans-92.6-30.7-179.353.80000114.1D27 S157D27-C159 WeakPolarHBondContact OD2-CB 3.39Å; S157-C159 VanDerWaalsContact C-N 3.27Å; S157-C159 PolarHBondContact O-N 3.12Å; S157-C159 PolarHBondContact OG-SG 3.37Å
160H91.2Very high91.1Very high143 Ų14344 Ų4466%0.66224%0.239SC*.THydrogen-bonded Turntrans-104.2-8.6-174.1-55.3141.4000114.8S157 S162S157-H160 PolarHBondContact OG-N 2.94Å; S157-H160 PolarHBondContact OG-ND1 3.47Å; H160-S162 PolarHBondContact O-N 2.98Å
161L93.6Very high90.9Very high40 Ų4043.4 Ų43.421%0.20924%0.237CC..  trans60.26.1-175.1-54-179.2000115.3T30 L32 T130 C131 S157T30-L161 HydrophobicContact CG2-CD1 4.45Å; T30-L161 HydrophobicContact CG2-CD2 3.68Å; T30-L161 HydrophobicContact CG2-CG 3.94Å; L32-L161 HydrophobicContact CD1-CD2 3.54Å; L32-L161 HydrophobicContact CG-CD2 4.28Å; T130-L161 HydrophobicContact CG2-CD1 3.75Å; C131-L161 VanDerWaalsContact SG-CA 3.59Å; C131-L161 PolarHBondContact SG-O 2.95Å; S157-L161 WeakPolarHBondContact O-CA 3.49Å; S157-L161 PolarHBondContact O-N 3.49Å
162S94.3Very high90.9Very high47 Ų4743.6 Ų43.633%0.32924%0.238SC..SBendtrans-86.1162.1179.368.50000112.7Y156 S157 H160Y156-S162 WeakPolarHBondContact CA-O 3.36Å; Y156-S162 WeakPolarHBondContact CD1-O 3.32Å; S157-S162 PolarHBondContact N-O 3.22Å; H160-S162 PolarHBondContact O-N 2.98Å
163P93.3Very high90.7Very high58 Ų5843.7 Ų43.738%0.37724%0.239SC..BIsolated β-bridgetrans-39147.1150-34.640.6000113.4H153H153-P163 WeakPolarHBondContact ND1-CB 3.46Å
164I92.6Very high90.6Very high60 Ų6043.6 Ų43.631%0.30824%0.238SC..  trans-129.3-2.8179.7-166.5158.1000113.3K155K155-I164 HydrophobicContact CG-CG2 4.27Å
165V90.4Very high90.7Very high37 Ų3743.5 Ų43.522%0.22424%0.238CC..SBendtrans-145.7163.5174.9-70.80000108.2H153 K155 D169 W170 H172H153-V165 PolarHBondContact CE1-O 2.87Å; K155-V165 HydrophobicContact CG-CG2 4.39Å; V165-D169 HydrophobicContact CB-CB 4.12Å; V165-W170 HydrophobicContact CG2-CB 4.25Å; V165-H172 VanDerWaalsContact CG2-CE1 3.4Å; V165-H172 WeakPolarHBondContact CG2-CE1 3.45Å; V165-H172 WeakPolarHBondContact CG2-NE2 3.31Å
166G89.6Confident90.7Very high29 Ų2943.5 Ų43.530%0.29924%0.237SC..  trans-80.7162.2177.400000113.9H168 D169 H172G166-H168 PolarHBondContact O-N 3.34Å; G166-D169 VanDerWaalsContact CA-OD2 3.3Å; G166-D169 WeakPolarHBondContact CA-OD2 3.49Å; G166-D169 PolarHBondContact N-OD2 2.62Å; G166-D169 PolarHBondContact O-N 3.17Å; G166-H172 PolarHBondContact O-NE2 2.92Å
167D86.6Confident90.7Very high73 Ų7343.5 Ų43.539%0.3924%0.238SC..THydrogen-bonded Turntrans-60.7-9-175.1-64.2-51.7000115.7K138 H153K138-D167 IonicContact NZ-OD1 3.29Å; K138-D167 PolarHBondContact NZ-OD1 3.26Å; H153-D167 IonicContact CD2-OD1 3.83Å; H153-D167 IonicContact CE1-OD1 2.77Å; H153-D167 IonicContact NE2-OD1 3.97Å; H153-D167 PolarHBondContact NE2-OD1 3.44Å
168H84.7Confident90.8Very high160 Ų16043.3 Ų43.374%0.74124%0.236SC*.THydrogen-bonded Turntrans-118.1-5.4178.5-59.4-28.4000113.2G166 W170G166-H168 PolarHBondContact O-N 3.34Å; H168-W170 VanDerWaalsContact C-N 3.32Å; H168-W170 PolarHBondContact O-N 3.28Å
169D84.4Confident91.1Very high112 Ų11243.3 Ų43.360%0.59924%0.236SC*.SBendtrans-86.1-5.9-174-57.9-22.9000112.5V165 G166V165-D169 HydrophobicContact CB-CB 4.12Å; G166-D169 VanDerWaalsContact CA-OD2 3.3Å; G166-D169 WeakPolarHBondContact CA-OD2 3.49Å; G166-D169 PolarHBondContact N-OD2 2.62Å; G166-D169 PolarHBondContact O-N 3.17Å
170W84.4Confident91.5Very high65 Ų6540.6 Ų40.625%0.24622%0.218CC..SBendtrans-151156.3-176.9-152.7-106.7000113.3W45 K155 V165 H168 H172 E243W45-W170 HydrophobicContact CZ2-CH2 4.48Å; W45-W170 AromaticContact CZ2-CZ2 3.94Å; W45-W170 HydrophobicContact CZ2-CZ2 3.94Å; K155-W170 HydrophobicContact CD-CD2 4.32Å; K155-W170 HydrophobicContact CD-CG 4.44Å; K155-W170 HydrophobicContact CD-CZ2 4.44Å; K155-W170 VanDerWaalsContact CE-CD2 3.47Å; K155-W170 VanDerWaalsContact NZ-CH2 3.3Å; K155-W170 VanDerWaalsContact NZ-CZ2 3.34Å; V165-W170 HydrophobicContact CG2-CB 4.25Å; H168-W170 VanDerWaalsContact C-N 3.32Å; H168-W170 PolarHBondContact O-N 3.28Å; W170-H172 PolarHBondContact O-N 3.46Å; W170-E243 VanDerWaalsContact CE2-OE2 3.26Å; W170-E243 VanDerWaalsContact CZ2-OE2 3.23Å; W170-E243 WeakPolarHBondContact CZ2-OE2 3.39Å; W170-E243 PolarHBondContact NE1-OE2 3.32Å
171G85.4Confident91.8Very high7 Ų733.8 Ų33.87%0.07219%0.186CC..  trans-70.570.7167.600000111.8Q174 Y239G171-Q174 WeakPolarHBondContact O-CG 3.39Å; G171-Q174 PolarHBondContact O-NE2 3.15Å; G171-Y239 VanDerWaalsContact C-CD2 3.48Å
172H90.6Very high92.1Very high5 Ų531.9 Ų31.92%0.02318%0.176CC..  trans-74.1-32.9-173.4-77-54.9000114.3L152 H153 A154 V165 G166 W170 Q174L152-H172 VanDerWaalsContact O-O 3.12Å; H153-H172 WeakPolarHBondContact CA-ND1 3.29Å; H153-H172 AromaticContact CD2-CD2 3.69Å; H153-H172 AromaticContact CD2-CE1 3.74Å; H153-H172 AromaticContact CD2-CG 3.79Å; H153-H172 AromaticContact CD2-ND1 3.84Å; H153-H172 AromaticContact CD2-NE2 3.67Å; H153-H172 AromaticContact CE1-NE2 3.7Å; H153-H172 AromaticContact CG-CE1 3.51Å; H153-H172 AromaticContact CG-ND1 3.78Å; H153-H172 AromaticContact CG-NE2 3.83Å; H153-H172 AromaticContact ND1-CE1 3.72Å; H153-H172 AromaticContact ND1-NE2 3.88Å; H153-H172 AromaticContact NE2-CD2 3.78Å; H153-H172 AromaticContact NE2-NE2 3.59Å; A154-H172 PolarHBondContact N-ND1 3.43Å; V165-H172 VanDerWaalsContact CG2-CE1 3.4Å; V165-H172 WeakPolarHBondContact CG2-CE1 3.45Å; V165-H172 WeakPolarHBondContact CG2-NE2 3.31Å; G166-H172 PolarHBondContact O-NE2 2.92Å; W170-H172 PolarHBondContact O-N 3.46Å; H172-Q174 VanDerWaalsContact C-N 3.35Å; H172-Q174 PolarHBondContact O-N 3.34Å
173L91.1Very high92.2Very high3 Ų329.8 Ų29.82%0.01616%0.161CC..  trans-68.892.9177.4-179.550.6000110F142 P148 A151 L175 K237 D238 Y239F142-L173 HydrophobicContact CE2-CD1 3.82Å; F142-L173 HydrophobicContact CE2-CD2 4.29Å; F142-L173 HydrophobicContact CZ-CD1 3.64Å; F142-L173 HydrophobicContact CZ-CD2 4.48Å; P148-L173 HydrophobicContact CB-CB 4.39Å; P148-L173 HydrophobicContact CB-CD2 4.29Å; P148-L173 HydrophobicContact CG-CD2 4.01Å; A151-L173 HydrophobicContact CB-CB 3.68Å; A151-L173 HydrophobicContact CB-CD1 3.85Å; A151-L173 HydrophobicContact CB-CG 4.26Å; L173-L175 HydrophobicContact CD1-CD2 3.74Å; L173-L175 HydrophobicContact CD1-CG 4.11Å; L173-K237 VanDerWaalsContact CD2-O 3.32Å; L173-K237 WeakPolarHBondContact CD2-O 3.36Å; L173-D238 HydrophobicContact CG-CB 3.97Å; L173-D238 WeakPolarHBondContact O-CA 3.35Å; L173-D238 VanDerWaalsContact O-CB 3.31Å; L173-D238 WeakPolarHBondContact O-CB 3.15Å; L173-Y239 HydrophobicContact CB-CD2 3.97Å; L173-Y239 HydrophobicContact CB-CE2 4.13Å; L173-Y239 WeakPolarHBondContact O-CD2 3.44Å; L173-Y239 PolarHBondContact O-N 2.92Å
174Q93Very high92.4Very high3 Ų327.2 Ų27.21%0.01414%0.144CC..  trans-131.596.5-179.2-71.3-177.731.600108.1A154 G171 H172 D176 A177 E243A154-Q174 HydrophobicContact CB-CB 4.47Å; A154-Q174 VanDerWaalsContact CB-CD 3.47Å; A154-Q174 HydrophobicContact CB-CG 4.24Å; A154-Q174 VanDerWaalsContact CB-NE2 3.29Å; G171-Q174 WeakPolarHBondContact O-CG 3.39Å; G171-Q174 PolarHBondContact O-NE2 3.15Å; H172-Q174 VanDerWaalsContact C-N 3.35Å; H172-Q174 PolarHBondContact O-N 3.34Å; Q174-D176 VanDerWaalsContact C-N 3.33Å; Q174-D176 WeakPolarHBondContact CB-OD1 3.34Å; Q174-A177 HydrophobicContact CB-CB 4.01Å; Q174-E243 VanDerWaalsContact NE2-CG 3.35Å; Q174-E243 PolarHBondContact NE2-OE1 2.92Å; Q174-E243 PolarHBondContact OE1-OE1 3.26Å; Q174-E243 VanDerWaalsContact OE1-OE1 3.12Å
175L93.5Very high92.7Very high1 Ų124.3 Ų24.31%0.00513%0.13CC..Hα-helixtrans-77.3-25.4-176.7-60.9-177.4000111.4L173 A177 S179 Y211 A215 I218 L236 D238L173-L175 HydrophobicContact CD1-CD2 3.74Å; L173-L175 HydrophobicContact CD1-CG 4.11Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-A177 PolarHBondContact O-N 3.49Å; L175-S179 WeakPolarHBondContact O-CB 3.41Å; L175-S179 PolarHBondContact O-N 3.48Å; L175-S179 PolarHBondContact O-OG 3.02Å; L175-Y211 HydrophobicContact CD2-CD1 4.19Å; L175-Y211 HydrophobicContact CD2-CE1 3.61Å; L175-A215 HydrophobicContact CD1-CB 4.31Å; L175-I218 HydrophobicContact CD1-CD1 4.38Å; L175-L236 HydrophobicContact CD1-CD1 3.89Å; L175-L236 HydrophobicContact CD1-CD2 4.04Å; L175-L236 HydrophobicContact CD1-CG 4.36Å; L175-D238 HydrophobicContact CG-CB 4.35Å; L175-D238 PolarHBondContact N-OD2 3.38Å
176D94.8Very high93Very high3 Ų322.6 Ų22.62%0.01612%0.119CC..Hα-helixtrans-56.3-46.3169.870.3-55.6000111.7R47 Q174 S179 I180 I241R47-D176 WeakPolarHBondContact CD-OD2 3.47Å; R47-D176 IonicContact CZ-OD2 3.97Å; R47-D176 IonicContact NE-OD2 3.71Å; R47-D176 IonicContact NH1-OD1 3.6Å; R47-D176 IonicContact NH1-OD2 3.52Å; R47-D176 PolarHBondContact NH1-OD2 3.02Å; Q174-D176 VanDerWaalsContact C-N 3.33Å; Q174-D176 WeakPolarHBondContact CB-OD1 3.34Å; D176-S179 PolarHBondContact O-N 3.12Å; D176-I180 WeakPolarHBondContact O-CG2 3.47Å; D176-I180 PolarHBondContact O-N 3.18Å; D176-I241 WeakPolarHBondContact OD2-CG1 3.3Å
177A95.9Very high93.3Very high1 Ų121.6 Ų21.61%0.00811%0.107CC..Hα-helixtrans-66.3-43.7-173.900000112.7V46 R47 Q174 L175 S179 I180 Y181V46-A177 HydrophobicContact CB-CB 4.31Å; V46-A177 HydrophobicContact CG1-CB 4.16Å; V46-A177 WeakPolarHBondContact CG1-O 3.26Å; R47-A177 HydrophobicContact CB-CB 4.35Å; Q174-A177 HydrophobicContact CB-CB 4.01Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-A177 PolarHBondContact O-N 3.49Å; A177-S179 VanDerWaalsContact C-N 3.35Å; A177-I180 WeakPolarHBondContact O-CG2 3.36Å; A177-Y181 PolarHBondContact O-N 2.97Å
178I96.9Very high93.6Very high5 Ų518.1 Ų18.13%0.0269%0.088CC..Hα-helixtrans-69.4-36.7174.3-54.6-56.4000110.5F132 L152 Y181 L182 Y211 I212F132-I178 HydrophobicContact CD1-CD1 4.13Å; F132-I178 HydrophobicContact CE1-CD1 3.53Å; F132-I178 HydrophobicContact CZ-CD1 3.82Å; L152-I178 HydrophobicContact CB-CD1 4.11Å; L152-I178 HydrophobicContact CD1-CD1 3.84Å; L152-I178 HydrophobicContact CD1-CG1 4.28Å; I178-Y181 WeakPolarHBondContact O-CB 3.5Å; I178-Y181 PolarHBondContact O-N 2.97Å; I178-L182 HydrophobicContact CG2-CD1 4.28Å; I178-L182 WeakPolarHBondContact O-CG 3.41Å; I178-L182 PolarHBondContact O-N 2.91Å; I178-Y211 HydrophobicContact CG1-CE1 4.09Å; I178-Y211 HydrophobicContact CG2-CD1 4.4Å; I178-I212 HydrophobicContact CG2-CG2 4.24Å
179S97.7Very high94.1Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-70.9-40.1-179.5-58.90000113.1L175 D176 A177 Y181 L182 L183 M262 A263 A266L175-S179 WeakPolarHBondContact O-CB 3.41Å; L175-S179 PolarHBondContact O-N 3.48Å; L175-S179 PolarHBondContact O-OG 3.02Å; D176-S179 PolarHBondContact O-N 3.12Å; A177-S179 VanDerWaalsContact C-N 3.35Å; S179-Y181 VanDerWaalsContact C-N 3.3Å; S179-Y181 PolarHBondContact O-N 2.78Å; S179-L182 PolarHBondContact O-N 2.87Å; S179-L183 WeakPolarHBondContact O-CB 3.28Å; S179-L183 PolarHBondContact O-N 3.14Å; S179-M262 VanDerWaalsContact CB-C 3.45Å; S179-A263 VanDerWaalsContact OG-CA 3.25Å; S179-A263 WeakPolarHBondContact OG-CA 3.45Å; S179-A263 PolarHBondContact OG-N 2.93Å; S179-A266 WeakPolarHBondContact O-CB 3.23Å
180I97.7Very high94.5Very high1 Ų17.4 Ų7.41%0.0054%0.042CC..Hα-helixtrans-67.1-34176.1-173.152.5000111.4V50 Y51 D176 A177 L183 T184 M262 P324V50-I180 HydrophobicContact CB-CG2 4.45Å; V50-I180 HydrophobicContact CG1-CG1 3.87Å; V50-I180 HydrophobicContact CG1-CG2 4.34Å; Y51-I180 HydrophobicContact CE1-CD1 4.47Å; Y51-I180 HydrophobicContact CE1-CG1 4.42Å; Y51-I180 HydrophobicContact CE2-CG1 4.19Å; D176-I180 WeakPolarHBondContact O-CG2 3.47Å; D176-I180 PolarHBondContact O-N 3.18Å; A177-I180 WeakPolarHBondContact O-CG2 3.36Å; I180-L183 HydrophobicContact CD1-CD2 4.07Å; I180-T184 VanDerWaalsContact O-CB 3.25Å; I180-T184 WeakPolarHBondContact O-CB 3.4Å; I180-T184 PolarHBondContact O-N 3.12Å; I180-T184 PolarHBondContact O-OG1 2.95Å; I180-M262 HydrophobicContact CB-CG 3.97Å; I180-M262 HydrophobicContact CB-SD 3.98Å; I180-M262 HydrophobicContact CD1-CE 4.45Å; I180-M262 HydrophobicContact CD1-SD 3.81Å; I180-M262 HydrophobicContact CG1-SD 4.36Å; I180-P324 HydrophobicContact CD1-CB 4.1Å; I180-P324 HydrophobicContact CD1-CG 3.44Å; I180-P324 VanDerWaalsContact CD1-CG 3.44Å
181Y98.2Very high94.7Very high0 Ų05 Ų50%04%0.035CC..Hα-helixtrans-58.7-52.3169.2169.5-94.5000111.2V50 M125 L128 L129 F132 A177 I178 S179 L183 T184 L185 L208V50-Y181 HydrophobicContact CG2-CD2 4.12Å; M125-Y181 HydrophobicContact CB-CE2 4.31Å; M125-Y181 HydrophobicContact CE-CD2 3.5Å; M125-Y181 VanDerWaalsContact CE-CD2 3.5Å; M125-Y181 HydrophobicContact CE-CE2 3.48Å; M125-Y181 VanDerWaalsContact CE-CE2 3.48Å; M125-Y181 HydrophobicContact CE-CG 4.35Å; M125-Y181 HydrophobicContact SD-CD2 3.89Å; M125-Y181 HydrophobicContact SD-CE2 3.92Å; L128-Y181 HydrophobicContact CB-CD2 4.11Å; L128-Y181 HydrophobicContact CB-CE2 3.95Å; L128-Y181 HydrophobicContact CD1-CD2 4.01Å; L128-Y181 HydrophobicContact CD1-CE2 4.48Å; L129-Y181 WeakPolarHBondContact CB-OH 3.05Å; F132-Y181 HydrophobicContact CD2-CD1 4.33Å; F132-Y181 HydrophobicContact CD2-CE1 4.22Å; F132-Y181 AromaticContact CE2-CD1 3.68Å; F132-Y181 HydrophobicContact CE2-CD1 3.68Å; F132-Y181 AromaticContact CE2-CD2 3.98Å; F132-Y181 HydrophobicContact CE2-CD2 3.98Å; F132-Y181 AromaticContact CE2-CE1 3.94Å; F132-Y181 HydrophobicContact CE2-CE1 3.94Å; F132-Y181 HydrophobicContact CE2-CE2 4.21Å; F132-Y181 AromaticContact CE2-CG 3.73Å; F132-Y181 HydrophobicContact CE2-CG 3.73Å; F132-Y181 HydrophobicContact CZ-CG 4.39Å; A177-Y181 PolarHBondContact O-N 2.97Å; I178-Y181 WeakPolarHBondContact O-CB 3.5Å; I178-Y181 PolarHBondContact O-N 2.97Å; S179-Y181 VanDerWaalsContact C-N 3.3Å; S179-Y181 PolarHBondContact O-N 2.78Å; Y181-L183 PolarHBondContact O-N 3.38Å; Y181-T184 PolarHBondContact O-N 3.4Å; Y181-L185 HydrophobicContact CE1-CD2 4.21Å; Y181-L185 WeakPolarHBondContact O-CB 3.3Å; Y181-L185 PolarHBondContact O-N 2.96Å; Y181-L208 HydrophobicContact CE1-CD1 4.46Å
182L98.3Very high94.8Very high0 Ų07.3 Ų7.30%06%0.059CC..Hα-helixtrans-63.5-39.4-179.4-72.6176.5000113.1I178 S179 A186 V205 L208 I212 A266 L270I178-L182 HydrophobicContact CG2-CD1 4.28Å; I178-L182 WeakPolarHBondContact O-CG 3.41Å; I178-L182 PolarHBondContact O-N 2.91Å; S179-L182 PolarHBondContact O-N 2.87Å; L182-A186 WeakPolarHBondContact O-CB 3.31Å; L182-A186 PolarHBondContact O-N 2.96Å; L182-V205 HydrophobicContact CD2-CG1 3.96Å; L182-L208 HydrophobicContact CD1-CB 4.08Å; L182-L208 HydrophobicContact CD2-CB 4.07Å; L182-L208 HydrophobicContact CD2-CD1 4.06Å; L182-I212 HydrophobicContact CD1-CD1 3.71Å; L182-I212 HydrophobicContact CD1-CG1 4.13Å; L182-A266 HydrophobicContact CB-CB 3.88Å; L182-L270 HydrophobicContact CB-CD1 3.97Å; L182-L270 HydrophobicContact CD1-CD1 4.35Å; L182-L270 HydrophobicContact CD2-CD1 4.05Å; L182-L270 HydrophobicContact CG-CD1 4.34Å
183L98Very high94.7Very high2 Ų27.6 Ų7.61%0.016%0.06CC..Hα-helixtrans-65-43.7174.2173.962.6000111.9S179 I180 Y181 A186 Q187 M262 A265 A266 A269 P324 A325S179-L183 WeakPolarHBondContact O-CB 3.28Å; S179-L183 PolarHBondContact O-N 3.14Å; I180-L183 HydrophobicContact CD1-CD2 4.07Å; Y181-L183 PolarHBondContact O-N 3.38Å; L183-A186 PolarHBondContact O-N 3.34Å; L183-Q187 HydrophobicContact CD1-CG 4.34Å; L183-Q187 WeakPolarHBondContact O-CG 3.49Å; L183-Q187 PolarHBondContact O-N 2.71Å; L183-M262 HydrophobicContact CD2-SD 3.89Å; L183-A265 HydrophobicContact CD1-CB 4.36Å; L183-A265 HydrophobicContact CD2-CB 4.06Å; L183-A266 HydrophobicContact CB-CB 4.35Å; L183-A269 HydrophobicContact CD1-CB 3.69Å; L183-P324 HydrophobicContact CD2-CB 4.28Å; L183-P324 HydrophobicContact CD2-CG 4.45Å; L183-A325 HydrophobicContact CD2-CB 4.17Å
184T97.4Very high94.6Very high4 Ų410.1 Ų10.13%0.0257%0.072CC..Hα-helixtrans-68.9-40.2179.4-56.60000110.8V50 H54 M125 I180 Y181 A186 Q187 M188V50-T184 HydrophobicContact CG1-CG2 4Å; V50-T184 WeakPolarHBondContact CG1-OG1 3.16Å; H54-T184 PolarHBondContact NE2-OG1 3.27Å; M125-T184 HydrophobicContact CE-CG2 4.06Å; I180-T184 VanDerWaalsContact O-CB 3.25Å; I180-T184 WeakPolarHBondContact O-CB 3.4Å; I180-T184 PolarHBondContact O-N 3.12Å; I180-T184 PolarHBondContact O-OG1 2.95Å; Y181-T184 PolarHBondContact O-N 3.4Å; T184-A186 VanDerWaalsContact C-N 3.33Å; T184-A186 PolarHBondContact O-N 3.09Å; T184-Q187 PolarHBondContact O-N 3.38Å; T184-M188 HydrophobicContact CG2-CG 4.32Å; T184-M188 HydrophobicContact CG2-SD 4.01Å; T184-M188 WeakPolarHBondContact O-CB 3.2Å; T184-M188 VanDerWaalsContact O-CG 3.29Å; T184-M188 WeakPolarHBondContact O-CG 3.08Å; T184-M188 PolarHBondContact O-N 3.01Å
185L97.4Very high94.5Very high0 Ų010 Ų100%07%0.071CC..Hα-helixtrans-54.4-48.8169.9171.762000111.1M125 Y181 M188 T189 V195 V196 V205 L275M125-L185 HydrophobicContact CE-CB 4.07Å; Y181-L185 HydrophobicContact CE1-CD2 4.21Å; Y181-L185 WeakPolarHBondContact O-CB 3.3Å; Y181-L185 PolarHBondContact O-N 2.96Å; L185-M188 PolarHBondContact O-N 3.28Å; L185-T189 PolarHBondContact O-N 3.28Å; L185-T189 PolarHBondContact O-OG1 3.39Å; L185-V195 HydrophobicContact CD1-CB 3.65Å; L185-V195 HydrophobicContact CD1-CG1 3.91Å; L185-V195 HydrophobicContact CD1-CG2 4.1Å; L185-V196 HydrophobicContact CD1-CG2 4.08Å; L185-V196 HydrophobicContact CD2-CG2 4.46Å; L185-V205 HydrophobicContact CD2-CG1 4.19Å; L185-V205 HydrophobicContact CD2-CG2 4.23Å; L185-L275 HydrophobicContact CD2-CD2 4.26Å; L185-L275 HydrophobicContact CG-CD2 4.36Å
186A97.1Very high94.5Very high0 Ų09.9 Ų9.90%07%0.071CC..Hα-helixtrans-61-47.5-179.900000112.8L182 L183 T184 A190 A269 L270 L273 L484L182-A186 WeakPolarHBondContact O-CB 3.31Å; L182-A186 PolarHBondContact O-N 2.96Å; L183-A186 PolarHBondContact O-N 3.34Å; T184-A186 VanDerWaalsContact C-N 3.33Å; T184-A186 PolarHBondContact O-N 3.09Å; A186-A190 WeakPolarHBondContact O-CB 3.34Å; A186-A190 PolarHBondContact O-N 3.19Å; A186-A269 HydrophobicContact CB-CB 3.67Å; A186-L270 HydrophobicContact CB-CD2 3.93Å; A186-L270 HydrophobicContact CB-CG 4.29Å; A186-L273 HydrophobicContact CB-CD2 3.71Å; A186-L484 HydrophobicContact CB-CD1 3.96Å
187Q95.8Very high94.4Very high9 Ų914.9 Ų14.94%0.0429%0.093CC..Hα-helixtrans-67.1-38.3178.2-63.5-81.33300112.1W57 L183 T184 A190 S191 D482 P483 L484W57-Q187 HydrophobicContact CH2-CB 3.78Å; W57-Q187 HydrophobicContact CZ3-CB 4.38Å; L183-Q187 HydrophobicContact CD1-CG 4.34Å; L183-Q187 WeakPolarHBondContact O-CG 3.49Å; L183-Q187 PolarHBondContact O-N 2.71Å; T184-Q187 PolarHBondContact O-N 3.38Å; Q187-A190 PolarHBondContact O-N 2.81Å; Q187-S191 PolarHBondContact O-N 2.94Å; Q187-D482 PolarHBondContact NE2-OD1 3.12Å; Q187-P483 HydrophobicContact CB-CG 4.48Å; Q187-P483 WeakPolarHBondContact O-CG 3.45Å; Q187-L484 HydrophobicContact CG-CD1 4.35Å; Q187-L484 VanDerWaalsContact OE1-CB 3.27Å; Q187-L484 VanDerWaalsContact OE1-CG 3.32Å
188M93.8Very high94.2Very high0 Ų016.6 Ų16.60%011%0.105CC..Hα-helixtrans-63.3-47.8175.5-77.8179.167.700111.8V53 W57 C121 M125 T184 L185 A190 S191 G192 L193 V195V53-M188 HydrophobicContact CG1-SD 4.02Å; W57-M188 HydrophobicContact CD2-CG 3.99Å; W57-M188 HydrophobicContact CE3-CG 4.33Å; W57-M188 HydrophobicContact CG-CG 4.39Å; W57-M188 HydrophobicContact CZ2-CG 4.36Å; C121-M188 HydrophobicContact CB-CE 3.72Å; M125-M188 HydrophobicContact CE-SD 4.41Å; M125-M188 HydrophobicContact CG-CE 4.26Å; M125-M188 HydrophobicContact CG-SD 3.89Å; T184-M188 HydrophobicContact CG2-CG 4.32Å; T184-M188 HydrophobicContact CG2-SD 4.01Å; T184-M188 WeakPolarHBondContact O-CB 3.2Å; T184-M188 VanDerWaalsContact O-CG 3.29Å; T184-M188 WeakPolarHBondContact O-CG 3.08Å; T184-M188 PolarHBondContact O-N 3.01Å; L185-M188 PolarHBondContact O-N 3.28Å; M188-A190 PolarHBondContact O-N 3.09Å; M188-S191 PolarHBondContact O-N 3.35Å; M188-S191 VanDerWaalsContact O-N 3.09Å; M188-S191 PolarHBondContact O-OG 2.75Å; M188-G192 PolarHBondContact O-N 3.26Å; M188-L193 HydrophobicContact CB-CB 4.42Å; M188-L193 HydrophobicContact CE-CB 4.47Å; M188-L193 HydrophobicContact CE-CD1 3.87Å; M188-L193 PolarHBondContact O-N 3.09Å; M188-V195 HydrophobicContact CE-CG2 4.01Å
189T94.3Very high93.9Very high7 Ų719.9 Ų19.94%0.04312%0.122CC..Hα-helixtrans-59.6-44.9175.4-64.60000111.3L185 S191 G192 L193 L273 D274L185-T189 PolarHBondContact O-N 3.28Å; L185-T189 PolarHBondContact O-OG1 3.39Å; T189-S191 PolarHBondContact O-N 2.98Å; T189-G192 PolarHBondContact O-N 3.36Å; T189-L193 WeakPolarHBondContact CA-O 3.45Å; T189-L273 HydrophobicContact CG2-CD2 4.46Å; T189-D274 VanDerWaalsContact CG2-O 3.25Å; T189-D274 WeakPolarHBondContact CG2-O 3.46Å
190A93Very high93.7Very high40 Ų4021.8 Ų21.833%0.33113%0.132SC..Hα-helixtrans-62.2-27.8175.400000113.5A186 Q187 M188 G192 P483 L484A186-A190 WeakPolarHBondContact O-CB 3.34Å; A186-A190 PolarHBondContact O-N 3.19Å; Q187-A190 PolarHBondContact O-N 2.81Å; M188-A190 PolarHBondContact O-N 3.09Å; A190-G192 VanDerWaalsContact C-N 3.27Å; A190-G192 PolarHBondContact O-N 3.46Å; A190-P483 HydrophobicContact CB-CB 4.18Å; A190-P483 HydrophobicContact CB-CG 3.93Å; A190-L484 HydrophobicContact CB-CD1 4.47Å; A190-L484 HydrophobicContact CB-CD2 3.68Å; A190-L484 HydrophobicContact CB-CG 3.81Å
191S89.5Confident93.6Very high13 Ų1322.8 Ų22.89%0.09114%0.136CC..THydrogen-bonded Turntrans-79-4.5173.181.30000114.9W57 R64 Q187 M188 T189W57-S191 PolarHBondContact NE1-OG 2.93Å; R64-S191 PolarHBondContact NH1-O 3.45Å; R64-S191 PolarHBondContact NH2-O 3.05Å; Q187-S191 PolarHBondContact O-N 2.94Å; M188-S191 PolarHBondContact O-N 3.35Å; M188-S191 VanDerWaalsContact O-N 3.09Å; M188-S191 PolarHBondContact O-OG 2.75Å; T189-S191 PolarHBondContact O-N 2.98Å
192G87.5Confident93.5Very high56 Ų5623.1 Ų23.158%0.57714%0.138SC*.THydrogen-bonded Turntrans94.218.6-17900000115.5M188 T189 A190M188-G192 PolarHBondContact O-N 3.26Å; T189-G192 PolarHBondContact O-N 3.36Å; A190-G192 VanDerWaalsContact C-N 3.27Å; A190-G192 PolarHBondContact O-N 3.46Å
193L87.6Confident93.3Very high11 Ų1123.6 Ų23.66%0.05814%0.143CC..  trans-100.3111174-64.1-177.9000110.8W57 I122 M188 T189 V195W57-L193 VanDerWaalsContact CD1-CD1 3.49Å; I122-L193 HydrophobicContact CD1-CD2 4.42Å; M188-L193 HydrophobicContact CB-CB 4.42Å; M188-L193 HydrophobicContact CE-CB 4.47Å; M188-L193 HydrophobicContact CE-CD1 3.87Å; M188-L193 PolarHBondContact O-N 3.09Å; T189-L193 WeakPolarHBondContact CA-O 3.45Å; L193-V195 PolarHBondContact O-N 3.32Å
194Q88.5Confident93.2Very high56 Ų5623.5 Ų23.526%0.26214%0.142SC..  trans-79.3114.5176.5-169.6175.76.900110.9V196 F197Q194-V196 WeakPolarHBondContact CG-O 3.43Å; Q194-V196 PolarHBondContact NE2-O 3.27Å; Q194-F197 HydrophobicContact CB-CE1 4.01Å; Q194-F197 HydrophobicContact CG-CD1 3.81Å; Q194-F197 HydrophobicContact CG-CE1 3.56Å; Q194-F197 WeakPolarHBondContact O-CZ 3.37Å
195V92.3Very high93.2Very high0 Ų023.3 Ų23.30%014%0.141CC..  trans-100.3-29.1175.4-179.70000111.6I122 M125 R126 L185 M188 L193I122-V195 HydrophobicContact CG1-CG2 4.4Å; M125-V195 HydrophobicContact CB-CG1 3.73Å; M125-V195 HydrophobicContact CB-CG2 4.47Å; R126-V195 VanDerWaalsContact CD-O 3.25Å; R126-V195 WeakPolarHBondContact CD-O 3.24Å; R126-V195 HydrophobicContact CG-CG1 3.84Å; R126-V195 WeakPolarHBondContact CG-O 3.38Å; R126-V195 PolarHBondContact NH1-O 3.01Å; L185-V195 HydrophobicContact CD1-CB 3.65Å; L185-V195 HydrophobicContact CD1-CG1 3.91Å; L185-V195 HydrophobicContact CD1-CG2 4.1Å; M188-V195 HydrophobicContact CE-CG2 4.01Å; L193-V195 PolarHBondContact O-N 3.32Å
196V94.1Very high93.2Very high0 Ų023.6 Ų23.60%014%0.142CC..  trans-107.2132.9-174.4-176.20000109.6L129 L185 Q194 E201 V202 L275 F276L129-V196 HydrophobicContact CD2-CG2 4.49Å; L185-V196 HydrophobicContact CD1-CG2 4.08Å; L185-V196 HydrophobicContact CD2-CG2 4.46Å; Q194-V196 WeakPolarHBondContact CG-O 3.43Å; Q194-V196 PolarHBondContact NE2-O 3.27Å; V196-E201 WeakPolarHBondContact CA-OE2 3.46Å; V196-E201 HydrophobicContact CG1-CB 3.63Å; V196-V202 HydrophobicContact CG1-CG2 3.95Å; V196-L275 HydrophobicContact CB-CB 4.12Å; V196-L275 HydrophobicContact CG1-CB 4.29Å; V196-L275 HydrophobicContact CG1-CD1 4.42Å; V196-L275 HydrophobicContact CG2-CB 4.33Å; V196-L275 HydrophobicContact CG2-CD1 4.38Å; V196-F276 HydrophobicContact CG1-CE1 4.11Å; V196-F276 VanDerWaalsContact O-CD1 3.27Å; V196-F276 WeakPolarHBondContact O-CD1 3.5Å
197F91.1Very high93.1Very high107 Ų10723.6 Ų23.647%0.46914%0.142SC..  trans-126.6-8.1-170.3-62.6-53.6000115.1Q194 E201Q194-F197 HydrophobicContact CB-CE1 4.01Å; Q194-F197 HydrophobicContact CG-CD1 3.81Å; Q194-F197 HydrophobicContact CG-CE1 3.56Å; Q194-F197 WeakPolarHBondContact O-CZ 3.37Å; F197-E201 PolarHBondContact N-OE2 3.28Å
198S92.8Very high93.2Very high38 Ų3823.1 Ų23.127%0.26614%0.14SC..SBendtrans-136.3155.3178.581.80000113.3D200 E201 V202S198-D200 PolarHBondContact O-N 3.08Å; S198-D200 PolarHBondContact OG-N 3.37Å; S198-E201 WeakPolarHBondContact O-CB 3.39Å; S198-E201 PolarHBondContact O-N 3.02Å; S198-E201 VanDerWaalsContact O-N 3.16Å; S198-E201 WeakPolarHBondContact OG-CG 3.43Å; S198-E201 PolarHBondContact OG-N 3.4Å; S198-E201 VanDerWaalsContact OG-N 3.08Å; S198-V202 WeakPolarHBondContact O-CG2 3.31Å; S198-V202 PolarHBondContact O-N 3.08Å
199I90.9Very high93.3Very high73 Ų7323.1 Ų23.137%0.37414%0.14SC..Hα-helixtrans-66.3-26.2175.2-59.5-62.3000111.3V202 A203 F276 N283I199-V202 PolarHBondContact O-N 2.82Å; I199-A203 WeakPolarHBondContact O-CB 3.43Å; I199-A203 PolarHBondContact O-N 3.01Å; I199-F276 HydrophobicContact CD1-CE2 3.84Å; I199-F276 HydrophobicContact CD1-CZ 3.9Å; I199-N283 HydrophobicContact CD1-CB 4.2Å
200D93Very high93.3Very high41 Ų4123.5 Ų23.522%0.21914%0.141CC..Hα-helixtrans-65.9-43.9170.9-59.2-61.9000111S198 A203 F204 N547 K549 M550S198-D200 PolarHBondContact O-N 3.08Å; S198-D200 PolarHBondContact OG-N 3.37Å; D200-A203 PolarHBondContact O-N 3.09Å; D200-F204 PolarHBondContact O-N 3.04Å; D200-N547 PolarHBondContact OD1-ND2 3.36Å; D200-K549 WeakPolarHBondContact OD1-CD 3.28Å; D200-K549 IonicContact OD1-NZ 3.76Å; D200-K549 PolarHBondContact OD1-NZ 2.89Å; D200-K549 IonicContact OD2-NZ 2.87Å; D200-K549 PolarHBondContact OD2-NZ 3.26Å; D200-M550 HydrophobicContact CB-CE 4.23Å; D200-M550 WeakPolarHBondContact O-CE 3.16Å
201E95.5Very high93.3Very high21 Ų2121.8 Ų21.810%0.09813%0.126CC..Hα-helixtrans-63.9-39173.5-68.5174.4176.200112.1R126 L129 M133 V196 F197 S198 F204 V205R126-E201 IonicContact CZ-OE1 2.68Å; R126-E201 VanDerWaalsContact CZ-OE1 3.29Å; R126-E201 IonicContact CZ-OE2 2.68Å; R126-E201 VanDerWaalsContact NH1-CD 3.28Å; R126-E201 IonicContact NH1-OE1 3.83Å; R126-E201 PolarHBondContact NH1-OE1 3.48Å; R126-E201 IonicContact NH1-OE2 2.73Å; R126-E201 PolarHBondContact NH1-OE2 2.92Å; R126-E201 IonicContact NH2-OE1 2.69Å; R126-E201 PolarHBondContact NH2-OE1 3.37Å; R126-E201 IonicContact NH2-OE2 3.79Å; L129-E201 HydrophobicContact CD2-CB 4.33Å; L129-E201 HydrophobicContact CD2-CG 4.23Å; M133-E201 HydrophobicContact CE-CG 4.04Å; M133-E201 HydrophobicContact SD-CG 3.93Å; V196-E201 WeakPolarHBondContact CA-OE2 3.46Å; V196-E201 HydrophobicContact CG1-CB 3.63Å; F197-E201 PolarHBondContact N-OE2 3.28Å; S198-E201 WeakPolarHBondContact O-CB 3.39Å; S198-E201 PolarHBondContact O-N 3.02Å; S198-E201 VanDerWaalsContact O-N 3.16Å; S198-E201 WeakPolarHBondContact OG-CG 3.43Å; S198-E201 PolarHBondContact OG-N 3.4Å; S198-E201 VanDerWaalsContact OG-N 3.08Å; E201-F204 PolarHBondContact O-N 3.02Å; E201-V205 WeakPolarHBondContact O-CG2 3.37Å; E201-V205 PolarHBondContact O-N 2.86Å
202V95.2Very high93.4Very high7 Ų721.2 Ų21.24%0.04212%0.122CC..Hα-helixtrans-59.1-49.7172.71730000110.7V196 S198 I199 F204 V205 Q206 L275 F276 I286V196-V202 HydrophobicContact CG1-CG2 3.95Å; S198-V202 WeakPolarHBondContact O-CG2 3.31Å; S198-V202 PolarHBondContact O-N 3.08Å; I199-V202 PolarHBondContact O-N 2.82Å; V202-F204 PolarHBondContact O-N 3.13Å; V202-V205 PolarHBondContact O-N 2.94Å; V202-Q206 WeakPolarHBondContact O-CB 3.49Å; V202-Q206 PolarHBondContact O-N 3.15Å; V202-L275 HydrophobicContact CB-CD1 4.41Å; V202-L275 HydrophobicContact CG1-CD1 4.31Å; V202-L275 HydrophobicContact CG2-CB 4.3Å; V202-L275 HydrophobicContact CG2-CD1 4.15Å; V202-F276 HydrophobicContact CG2-CE1 3.9Å; V202-F276 HydrophobicContact CG2-CZ 4.09Å; V202-I286 HydrophobicContact CG1-CD1 4.09Å
203A94.2Very high93.4Very high11 Ų1118.7 Ų18.79%0.09110%0.095CC..Hα-helixtrans-61-35.8178.700000111.5I199 D200 Q206 N207 N547I199-A203 WeakPolarHBondContact O-CB 3.43Å; I199-A203 PolarHBondContact O-N 3.01Å; D200-A203 PolarHBondContact O-N 3.09Å; A203-Q206 PolarHBondContact O-N 2.83Å; A203-N207 PolarHBondContact O-N 3.02Å; A203-N207 VanDerWaalsContact O-N 3.14Å; A203-N207 PolarHBondContact O-ND2 2.92Å; A203-N547 HydrophobicContact CB-CB 3.99Å
204F96.9Very high93.1Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-65.1-47.9172.7-174.2-100.6000112.6L129 F132 M133 A136 V139 D200 E201 V202 Q206 N207 L208 M550 L552L129-F204 HydrophobicContact CD1-CD1 3.88Å; L129-F204 HydrophobicContact CD1-CE1 4.29Å; F132-F204 HydrophobicContact CB-CE1 3.54Å; F132-F204 HydrophobicContact CB-CZ 3.74Å; F132-F204 VanDerWaalsContact O-CZ 3.28Å; F132-F204 WeakPolarHBondContact O-CZ 3.49Å; M133-F204 HydrophobicContact CE-CB 4.49Å; M133-F204 HydrophobicContact CG-CB 4.18Å; M133-F204 HydrophobicContact CG-CD1 3.4Å; M133-F204 HydrophobicContact CG-CD2 4.01Å; M133-F204 HydrophobicContact CG-CE1 3.72Å; M133-F204 HydrophobicContact CG-CE2 4.31Å; M133-F204 HydrophobicContact CG-CG 3.56Å; M133-F204 HydrophobicContact CG-CZ 4.19Å; M133-F204 HydrophobicContact SD-CD1 4.44Å; A136-F204 HydrophobicContact CB-CD2 4.17Å; A136-F204 HydrophobicContact CB-CE2 3.81Å; V139-F204 HydrophobicContact CG2-CE2 4.11Å; V139-F204 HydrophobicContact CG2-CZ 4.1Å; D200-F204 PolarHBondContact O-N 3.04Å; E201-F204 PolarHBondContact O-N 3.02Å; V202-F204 PolarHBondContact O-N 3.13Å; F204-Q206 VanDerWaalsContact C-N 3.26Å; F204-Q206 PolarHBondContact O-N 3.03Å; F204-N207 CarbonylContact O-C 3.57Å; F204-N207 WeakPolarHBondContact O-CA 3.49Å; F204-N207 WeakPolarHBondContact O-CB 3.3Å; F204-N207 PolarHBondContact O-N 2.85Å; F204-L208 HydrophobicContact CD1-CD1 4.18Å; F204-L208 HydrophobicContact CD1-CG 4.16Å; F204-L208 HydrophobicContact CE1-CD1 3.7Å; F204-L208 HydrophobicContact CE1-CD2 3.82Å; F204-L208 HydrophobicContact CE1-CG 3.69Å; F204-L208 HydrophobicContact CZ-CD2 3.81Å; F204-L208 HydrophobicContact CZ-CG 4.14Å; F204-L208 PolarHBondContact O-N 3.19Å; F204-M550 HydrophobicContact CB-CE 4.05Å; F204-M550 HydrophobicContact CB-SD 4.22Å; F204-M550 HydrophobicContact CD2-SD 4.3Å; F204-L552 HydrophobicContact CD2-CD1 4.11Å
205V97.4Very high92.8Very high0 Ų016.7 Ų16.70%09%0.086CC..Hα-helixtrans-60.7-36.3176.1174.10000111.5L129 L182 L185 E201 V202 N207 L208 V209 L275 I286L129-V205 HydrophobicContact CD1-CG2 4.06Å; L182-V205 HydrophobicContact CD2-CG1 3.96Å; L185-V205 HydrophobicContact CD2-CG1 4.19Å; L185-V205 HydrophobicContact CD2-CG2 4.23Å; E201-V205 WeakPolarHBondContact O-CG2 3.37Å; E201-V205 PolarHBondContact O-N 2.86Å; V202-V205 PolarHBondContact O-N 2.94Å; V205-N207 VanDerWaalsContact C-N 3.26Å; V205-N207 PolarHBondContact O-N 3.06Å; V205-L208 WeakPolarHBondContact O-CB 3.49Å; V205-L208 PolarHBondContact O-N 3.42Å; V205-L208 VanDerWaalsContact O-N 3.14Å; V205-V209 PolarHBondContact O-N 2.87Å; V205-L275 HydrophobicContact CB-CD1 3.87Å; V205-L275 HydrophobicContact CG1-CD1 3.78Å; V205-L275 HydrophobicContact CG2-CD1 4.28Å; V205-I286 HydrophobicContact CB-CD1 4.44Å; V205-I286 HydrophobicContact CG1-CD1 4.19Å; V205-I286 HydrophobicContact CG1-CG1 4.48Å
206Q96.2Very high92.1Very high5 Ų517 Ų172%0.0239%0.087CC..Hα-helixtrans-65.1-26.5173.1-172.960.384.500112.9V202 A203 F204 V209 F210 I286 H287 L544V202-Q206 WeakPolarHBondContact O-CB 3.49Å; V202-Q206 PolarHBondContact O-N 3.15Å; A203-Q206 PolarHBondContact O-N 2.83Å; F204-Q206 VanDerWaalsContact C-N 3.26Å; F204-Q206 PolarHBondContact O-N 3.03Å; Q206-V209 WeakPolarHBondContact O-CB 3.46Å; Q206-F210 HydrophobicContact CG-CE2 4.11Å; Q206-F210 HydrophobicContact CG-CZ 3.81Å; Q206-F210 VanDerWaalsContact O-CD2 3.26Å; Q206-F210 WeakPolarHBondContact O-CD2 3.5Å; Q206-F210 WeakPolarHBondContact O-CE2 3.37Å; Q206-F210 WeakPolarHBondContact O-CG 3.29Å; Q206-F210 PolarHBondContact O-N 2.88Å; Q206-I286 HydrophobicContact CB-CD1 3.73Å; Q206-I286 HydrophobicContact CG-CD1 4.45Å; Q206-H287 PolarHBondContact NE2-O 3.41Å; Q206-H287 PolarHBondContact OE1-O 3.28Å; Q206-L544 HydrophobicContact CG-CD1 4.02Å; Q206-L544 HydrophobicContact CG-CD2 4.2Å; Q206-L544 HydrophobicContact CG-CG 3.68Å
207N96.6Very high90.8Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-82-29.5170.1-77.2-93.6000112.9V139 K143 A203 F204 V205 V209 F210 Y211 G545 L552V139-N207 HydrophobicContact CG1-CB 4.06Å; K143-N207 PolarHBondContact NZ-OD1 2.73Å; A203-N207 PolarHBondContact O-N 3.02Å; A203-N207 VanDerWaalsContact O-N 3.14Å; A203-N207 PolarHBondContact O-ND2 2.92Å; F204-N207 CarbonylContact O-C 3.57Å; F204-N207 WeakPolarHBondContact O-CA 3.49Å; F204-N207 WeakPolarHBondContact O-CB 3.3Å; F204-N207 PolarHBondContact O-N 2.85Å; V205-N207 VanDerWaalsContact C-N 3.26Å; V205-N207 PolarHBondContact O-N 3.06Å; N207-V209 VanDerWaalsContact C-N 3.26Å; N207-V209 PolarHBondContact O-N 2.83Å; N207-F210 HydrophobicContact CB-CD2 4.44Å; N207-F210 PolarHBondContact O-N 3.4Å; N207-F210 VanDerWaalsContact O-N 3.13Å; N207-Y211 PolarHBondContact O-N 2.85Å; N207-G545 PolarHBondContact ND2-O 3.33Å; N207-L552 HydrophobicContact CB-CD1 4.29Å
208L96.9Very high88.9Confident0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-63.8-33167.3-64.8-176.3000111.8F132 V139 L152 Y181 L182 F204 V205 Y211 I212F132-L208 HydrophobicContact CD2-CD1 4.24Å; V139-L208 HydrophobicContact CG2-CD2 4.22Å; L152-L208 HydrophobicContact CD1-CD2 3.65Å; Y181-L208 HydrophobicContact CE1-CD1 4.46Å; L182-L208 HydrophobicContact CD1-CB 4.08Å; L182-L208 HydrophobicContact CD2-CB 4.07Å; L182-L208 HydrophobicContact CD2-CD1 4.06Å; F204-L208 HydrophobicContact CD1-CD1 4.18Å; F204-L208 HydrophobicContact CD1-CG 4.16Å; F204-L208 HydrophobicContact CE1-CD1 3.7Å; F204-L208 HydrophobicContact CE1-CD2 3.82Å; F204-L208 HydrophobicContact CE1-CG 3.69Å; F204-L208 HydrophobicContact CZ-CD2 3.81Å; F204-L208 HydrophobicContact CZ-CG 4.14Å; F204-L208 PolarHBondContact O-N 3.19Å; V205-L208 WeakPolarHBondContact O-CB 3.49Å; V205-L208 PolarHBondContact O-N 3.42Å; V205-L208 VanDerWaalsContact O-N 3.14Å; L208-Y211 WeakPolarHBondContact O-CB 3.45Å; L208-Y211 PolarHBondContact O-N 2.8Å; L208-I212 PolarHBondContact O-N 3.03Å
209V96.2Very high86.5Confident0 Ų012.5 Ų12.50%06%0.063CC..Hα-helixtrans-58.7-48.7167.3164.60000110.7V205 Q206 N207 Y211 I212 E213 L267 L270 I286 V288V205-V209 PolarHBondContact O-N 2.87Å; Q206-V209 WeakPolarHBondContact O-CB 3.46Å; N207-V209 VanDerWaalsContact C-N 3.26Å; N207-V209 PolarHBondContact O-N 2.83Å; V209-Y211 VanDerWaalsContact C-N 3.26Å; V209-Y211 PolarHBondContact O-N 2.78Å; V209-I212 CarbonylContact O-C 3.47Å; V209-I212 WeakPolarHBondContact O-CG1 3.25Å; V209-I212 PolarHBondContact O-N 3.37Å; V209-I212 VanDerWaalsContact O-N 3.08Å; V209-E213 WeakPolarHBondContact O-CB 3.44Å; V209-E213 PolarHBondContact O-N 3.25Å; V209-L267 HydrophobicContact CG1-CD2 4.01Å; V209-L270 HydrophobicContact CG2-CD1 3.65Å; V209-I286 HydrophobicContact CG2-CG2 3.88Å; V209-V288 HydrophobicContact CG1-CG2 4Å
210F93.7Very high83.9Confident14 Ų1410.3 Ų10.36%0.0615%0.053CC..Hα-helixtrans-66.3-26.7178.1-52.6-35.8000113.6K143 Q206 N207 I212 E213 L544 R555K143-F210 HydrophobicContact CD-CB 3.82Å; K143-F210 HydrophobicContact CD-CD2 4.33Å; K143-F210 HydrophobicContact CG-CB 4.28Å; Q206-F210 HydrophobicContact CG-CE2 4.11Å; Q206-F210 HydrophobicContact CG-CZ 3.81Å; Q206-F210 VanDerWaalsContact O-CD2 3.26Å; Q206-F210 WeakPolarHBondContact O-CD2 3.5Å; Q206-F210 WeakPolarHBondContact O-CE2 3.37Å; Q206-F210 WeakPolarHBondContact O-CG 3.29Å; Q206-F210 PolarHBondContact O-N 2.88Å; N207-F210 HydrophobicContact CB-CD2 4.44Å; N207-F210 PolarHBondContact O-N 3.4Å; N207-F210 VanDerWaalsContact O-N 3.13Å; F210-I212 VanDerWaalsContact C-N 3.32Å; F210-E213 WeakPolarHBondContact CD1-OE2 3.44Å; F210-L544 HydrophobicContact CE1-CD2 4.21Å; F210-L544 VanDerWaalsContact CE2-O 3.26Å; F210-L544 WeakPolarHBondContact CE2-O 3.31Å; F210-L544 HydrophobicContact CZ-CB 4.16Å; F210-L544 HydrophobicContact CZ-CD2 3.93Å; F210-L544 HydrophobicContact CZ-CG 3.91Å; F210-L544 WeakPolarHBondContact CZ-O 3.37Å; F210-R555 HydrophobicContact CD1-CB 4.2Å; F210-R555 HydrophobicContact CD1-CG 3.96Å; F210-R555 HydrophobicContact CD2-CB 4.33Å; F210-R555 HydrophobicContact CE1-CB 3.8Å; F210-R555 HydrophobicContact CE1-CG 3.87Å; F210-R555 HydrophobicContact CE2-CB 3.96Å; F210-R555 VanDerWaalsContact CE2-N 3.29Å; F210-R555 HydrophobicContact CG-CB 4.46Å; F210-R555 HydrophobicContact CG-CG 4.44Å; F210-R555 HydrophobicContact CZ-CB 3.67Å; F210-R555 HydrophobicContact CZ-CG 4.28Å
211Y92.5Very high81.1Confident5 Ų513.5 Ų13.52%0.027%0.07CC..Hα-helixtrans-67.2-30.6172.5-178.2-84.9000112.1V139 F142 A151 L152 L175 I178 N207 L208 V209V139-Y211 HydrophobicContact CG1-CD2 4.41Å; F142-Y211 HydrophobicContact CB-CD2 4.03Å; F142-Y211 HydrophobicContact CB-CE2 3.88Å; F142-Y211 AromaticContact CD1-CD2 3.28Å; F142-Y211 HydrophobicContact CD1-CD2 3.28Å; F142-Y211 AromaticContact CD1-CE2 3.29Å; F142-Y211 HydrophobicContact CD1-CE2 3.29Å; F142-Y211 HydrophobicContact CD1-CG 4.03Å; F142-Y211 HydrophobicContact CD2-CE2 4.05Å; F142-Y211 AromaticContact CE1-CD2 3.87Å; F142-Y211 HydrophobicContact CE1-CD2 3.87Å; F142-Y211 HydrophobicContact CE1-CE1 4.41Å; F142-Y211 AromaticContact CE1-CE2 3.71Å; F142-Y211 HydrophobicContact CE1-CE2 3.71Å; F142-Y211 HydrophobicContact CE1-CG 4.27Å; F142-Y211 AromaticContact CE1-CZ 3.99Å; F142-Y211 HydrophobicContact CE2-CE2 4.41Å; F142-Y211 AromaticContact CG-CD2 3.8Å; F142-Y211 HydrophobicContact CG-CD2 3.8Å; F142-Y211 AromaticContact CG-CE2 3.47Å; F142-Y211 HydrophobicContact CG-CE2 3.47Å; F142-Y211 VanDerWaalsContact CG-CE2 3.47Å; F142-Y211 HydrophobicContact CZ-CE2 4.25Å; A151-Y211 WeakPolarHBondContact CA-OH 3.48Å; A151-Y211 WeakPolarHBondContact CB-OH 3.43Å; L152-Y211 HydrophobicContact CD1-CE2 4.48Å; L152-Y211 HydrophobicContact CG-CE2 4.19Å; L152-Y211 PolarHBondContact N-OH 3.27Å; L175-Y211 HydrophobicContact CD2-CD1 4.19Å; L175-Y211 HydrophobicContact CD2-CE1 3.61Å; I178-Y211 HydrophobicContact CG1-CE1 4.09Å; I178-Y211 HydrophobicContact CG2-CD1 4.4Å; N207-Y211 PolarHBondContact O-N 2.85Å; L208-Y211 WeakPolarHBondContact O-CB 3.45Å; L208-Y211 PolarHBondContact O-N 2.8Å; V209-Y211 VanDerWaalsContact C-N 3.26Å; V209-Y211 PolarHBondContact O-N 2.78Å
212I93.1Very high78.1Confident0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-106.3-10.5177.569.5157.7000115.5I178 L182 L208 V209 F210 H214 A215 A263 A266 L267I178-I212 HydrophobicContact CG2-CG2 4.24Å; L182-I212 HydrophobicContact CD1-CD1 3.71Å; L182-I212 HydrophobicContact CD1-CG1 4.13Å; L208-I212 PolarHBondContact O-N 3.03Å; V209-I212 CarbonylContact O-C 3.47Å; V209-I212 WeakPolarHBondContact O-CG1 3.25Å; V209-I212 PolarHBondContact O-N 3.37Å; V209-I212 VanDerWaalsContact O-N 3.08Å; F210-I212 VanDerWaalsContact C-N 3.32Å; I212-H214 VanDerWaalsContact C-N 3.27Å; I212-H214 PolarHBondContact O-N 3.44Å; I212-A215 WeakPolarHBondContact O-CB 3.4Å; I212-A215 PolarHBondContact O-N 3.04Å; I212-A263 HydrophobicContact CB-CB 4.42Å; I212-A263 HydrophobicContact CD1-CB 4.4Å; I212-A266 HydrophobicContact CD1-CB 3.66Å; I212-L267 HydrophobicContact CD1-CD2 4.13Å; I212-L267 HydrophobicContact CD1-CG 3.93Å; I212-L267 HydrophobicContact CG1-CD2 4.02Å; I212-L267 HydrophobicContact CG1-CG 4.25Å
213E87.9Confident75Confident3 Ų321.6 Ų21.61%0.01412%0.121CC..Hα-helixtrans-64.3-34.1-174.477.3173.1-152.300112.3V209 F210 A215 Y216 L267 E292 R555V209-E213 WeakPolarHBondContact O-CB 3.44Å; V209-E213 PolarHBondContact O-N 3.25Å; F210-E213 WeakPolarHBondContact CD1-OE2 3.44Å; E213-A215 PolarHBondContact O-N 3.15Å; E213-Y216 WeakPolarHBondContact O-CE1 3.43Å; E213-L267 HydrophobicContact CB-CD2 4.01Å; E213-E292 HydrophobicContact CB-CB 4.39Å; E213-E292 HydrophobicContact CB-CG 4.37Å; E213-E292 HydrophobicContact CG-CG 4.5Å; E213-R555 IonicContact OE1-CZ 2.68Å; E213-R555 IonicContact OE1-NE 3.1Å; E213-R555 PolarHBondContact OE1-NE 2.94Å; E213-R555 IonicContact OE1-NH2 2.7Å; E213-R555 PolarHBondContact OE1-NH2 3.2Å; E213-R555 IonicContact OE2-NE 2.72Å; E213-R555 IonicContact OE2-NH2 3.39Å
214H80.4Confident71.9Confident25 Ų2526.7 Ų26.712%0.11615%0.152CC..THydrogen-bonded Turntrans-89.931174.4-59.8-29.9000113.1I212 Y216 R217 L236 E292I212-H214 VanDerWaalsContact C-N 3.27Å; I212-H214 PolarHBondContact O-N 3.44Å; H214-Y216 PolarHBondContact O-N 3.31Å; H214-R217 HydrophobicContact CB-CB 4.12Å; H214-R217 PolarHBondContact O-N 3.41Å; H214-L236 VanDerWaalsContact O-CD1 3.25Å; H214-L236 WeakPolarHBondContact O-CD1 3.38Å; H214-E292 IonicContact CE1-OE1 2.86Å; H214-E292 IonicContact CE1-OE2 3.46Å; H214-E292 PolarHBondContact CE1-OE2 3.08Å; H214-E292 IonicContact ND1-OE2 3.11Å; H214-E292 PolarHBondContact ND1-OE2 2.68Å
215A83Confident68.7Low1 Ų132.2 Ų32.21%0.00818%0.182CC..THydrogen-bonded Turntrans-60.912.4175.100000115.6L175 I212 E213 L236 I260 A263L175-A215 HydrophobicContact CD1-CB 4.31Å; I212-A215 WeakPolarHBondContact O-CB 3.4Å; I212-A215 PolarHBondContact O-N 3.04Å; E213-A215 PolarHBondContact O-N 3.15Å; A215-L236 VanDerWaalsContact CA-CD1 3.47Å; A215-L236 WeakPolarHBondContact O-CD1 3.48Å; A215-I260 WeakPolarHBondContact O-CG1 3.3Å; A215-A263 HydrophobicContact CB-CB 3.4Å; A215-A263 VanDerWaalsContact CB-CB 3.4Å
216Y76.5Confident65.6Low5 Ų538.2 Ų38.22%0.0222%0.221CC..THydrogen-bonded Turntrans-125.2-1.8171.364.5-84.2000114.4E213 H214 E292 Q295 V299 T889 I893E213-Y216 WeakPolarHBondContact O-CE1 3.43Å; H214-Y216 PolarHBondContact O-N 3.31Å; Y216-E292 WeakPolarHBondContact CE1-OE2 3.45Å; Y216-E292 PolarHBondContact OH-OE2 2.86Å; Y216-Q295 HydrophobicContact CD1-CB 3.72Å; Y216-Q295 HydrophobicContact CD2-CB 3.77Å; Y216-Q295 HydrophobicContact CD2-CG 4.38Å; Y216-Q295 HydrophobicContact CE1-CB 3.55Å; Y216-Q295 HydrophobicContact CE1-CG 4.08Å; Y216-Q295 HydrophobicContact CE2-CB 3.56Å; Y216-Q295 HydrophobicContact CE2-CG 3.71Å; Y216-Q295 HydrophobicContact CG-CB 3.83Å; Y216-Q295 VanDerWaalsContact CZ-CB 3.47Å; Y216-V299 HydrophobicContact CG-CG2 4.49Å; Y216-T889 HydrophobicContact CD2-CG2 4.21Å; Y216-T889 HydrophobicContact CE2-CG2 3.95Å; Y216-I893 HydrophobicContact CD2-CG2 4.05Å
217R66.1Low62.7Low31 Ų3144.3 Ų44.312%0.11725%0.253CS..THydrogen-bonded Turntrans-131-7.7-155.5-133.6-178.9-167.7175.9-2118.4H214 D559 N886 T889 P913H214-R217 HydrophobicContact CB-CB 4.12Å; H214-R217 PolarHBondContact O-N 3.41Å; R217-D559 IonicContact NH1-OD2 2.66Å; R217-N886 PolarHBondContact NH2-OD1 2.74Å; R217-T889 HydrophobicContact CG-CG2 4.29Å; R217-T889 PolarHBondContact NE-OG1 2.82Å; R217-T889 PolarHBondContact NH2-OG1 3.34Å; R217-P913 HydrophobicContact CG-CB 3.72Å; R217-P913 HydrophobicContact CG-CG 3.9Å
218I52.3Low59.5Low4 Ų447.3 Ų47.32%0.02128%0.284CS..  trans-67.5128-167.3-72.3177.2000114.9F142 Q146 L175 L236F142-I218 HydrophobicContact CE1-CD1 3.72Å; F142-I218 HydrophobicContact CZ-CD1 3.59Å; Q146-I218 HydrophobicContact CB-CB 4.08Å; Q146-I218 HydrophobicContact CB-CD1 4.18Å; Q146-I218 HydrophobicContact CB-CG1 3.77Å; Q146-I218 HydrophobicContact CB-CG2 3.61Å; Q146-I218 HydrophobicContact CG-CG1 4.09Å; Q146-I218 WeakPolarHBondContact O-CG2 3.25Å; L175-I218 HydrophobicContact CD1-CD1 4.38Å; I218-L236 HydrophobicContact CB-CB 3.98Å; I218-L236 HydrophobicContact CB-CD1 3.7Å; I218-L236 HydrophobicContact CB-CG 3.85Å; I218-L236 HydrophobicContact CD1-CD1 3.68Å; I218-L236 HydrophobicContact CD1-CG 4.36Å; I218-L236 HydrophobicContact CG1-CD1 3.65Å; I218-L236 HydrophobicContact CG1-CG 4.33Å; I218-L236 WeakPolarHBondContact O-CA 3.38Å; I218-L236 PolarHBondContact O-N 2.92Å
219P41.6Very low56.3Low16 Ų1652.8 Ų52.810%0.10431%0.312CS..  trans-72.3136.7167.6-20.535000114.1H234P219-H234 VanDerWaalsContact CA-O 3.28Å; P219-H234 WeakPolarHBondContact CA-O 3.32Å
220V36.4Very low53.1Low27 Ų2757 Ų5716%0.16434%0.338CS..  trans-98.8103.8163-177.50000108.8H234 K237V220-H234 PolarHBondContact O-CE1 3.38Å; V220-H234 PolarHBondContact O-ND1 3.2Å; V220-K237 HydrophobicContact CG2-CB 3.59Å; V220-K237 HydrophobicContact CG2-CD 3.93Å; V220-K237 HydrophobicContact CG2-CG 3.69Å
221L34.3Very low50.2Low108 Ų10864.2 Ų64.257%0.56537%0.37SS*.PPolyproline II helixtrans-63.5145.4172.4-79.6163000111.5A223L221-A223 PolarHBondContact O-N 3.31Å
222F32.6Very low47.5Very low112 Ų11267.8 Ų67.849%0.49139%0.389SS..PPolyproline II helixtrans-54.1129.6-176.6-81.6-100.2000113.9T230 L232 H234F222-T230 HydrophobicContact CD1-CG2 4.24Å; F222-T230 HydrophobicContact CE1-CG2 3.81Å; F222-L232 HydrophobicContact CE1-CD2 4.36Å; F222-L232 HydrophobicContact CE1-CG 4.24Å; F222-L232 HydrophobicContact CE2-CD2 3.75Å; F222-L232 HydrophobicContact CE2-CG 4.48Å; F222-L232 HydrophobicContact CZ-CD1 4.35Å; F222-L232 HydrophobicContact CZ-CD2 3.43Å; F222-L232 VanDerWaalsContact CZ-CD2 3.43Å; F222-L232 HydrophobicContact CZ-CG 3.67Å; F222-H234 AromaticContact CD2-CE1 3.51Å; F222-H234 AromaticContact CD2-NE2 3.43Å; F222-H234 WeakPolarHBondContact CD2-NE2 3.4Å; F222-H234 AromaticContact CE2-CE1 3.55Å; F222-H234 AromaticContact CE2-NE2 3.32Å; F222-H234 VanDerWaalsContact CE2-NE2 3.32Å; F222-H234 WeakPolarHBondContact CE2-NE2 3.4Å
223A29.2Very low44.8Very low87 Ų8769.4 Ų69.472%0.71940%0.4SS*.PPolyproline II helixtrans-99.9125.3146.900000108.4L221 L225L221-A223 PolarHBondContact O-N 3.31Å; A223-L225 PolarHBondContact O-N 2.92Å
224P29.1Very low42.6Very low117 Ų11770.4 Ų70.476%0.7641%0.405SS*.PPolyproline II helixtrans-76.9116.8177.229.8-32.3000110.6
225L31.7Very low40.7Very low117 Ų11769.5 Ų69.561%0.61340%0.401SS*.PPolyproline II helixtrans-74.1141.3165.8-71.7172000109.7A223 N227 G228A223-L225 PolarHBondContact O-N 2.92Å; L225-N227 PolarHBondContact O-N 3.48Å; L225-G228 PolarHBondContact O-N 2.9Å
226P31.3Very low39.3Very low126 Ų12669.5 Ų69.582%0.81840%0.401SS*.THydrogen-bonded Turntrans-65.5-7.7-175.624.4-32.8000114.6
227N35.1Very low38.9Very low133 Ų13370 Ų7071%0.71140%0.404SS*.THydrogen-bonded Turntrans-95.25-172.1-57.210.9000113.5L225 I229L225-N227 PolarHBondContact O-N 3.48Å; N227-I229 PolarHBondContact O-N 2.92Å
228G28.7Very low39.7Very low63 Ų6368.6 Ų68.665%0.64940%0.398SS*.SBendtrans72.2-14.3178.500000116.4L225 T230L225-G228 PolarHBondContact O-N 2.9Å; G228-T230 PolarHBondContact O-N 2.96Å; G228-T230 VanDerWaalsContact O-N 3.12Å
229I30.8Very low41.5Very low115 Ų11570.3 Ų70.359%0.5941%0.405SS*.  trans-7994.2176-56177.9000109.6N227 F231N227-I229 PolarHBondContact O-N 2.92Å; I229-F231 HydrophobicContact CG2-CD2 3.96Å; I229-F231 HydrophobicContact CG2-CE2 3.68Å; I229-F231 HydrophobicContact CG2-CZ 4.45Å; I229-F231 PolarHBondContact O-N 3.26Å
230T28.8Very low43.7Very low87 Ų8769.7 Ų69.753%0.53440%0.401SS..  trans-80.397.2178.235.90000112.1F222 G228 L232F222-T230 HydrophobicContact CD1-CG2 4.24Å; F222-T230 HydrophobicContact CE1-CG2 3.81Å; G228-T230 PolarHBondContact O-N 2.96Å; G228-T230 VanDerWaalsContact O-N 3.12Å; T230-L232 PolarHBondContact O-N 3.41Å
231F33.9Very low46.4Very low167 Ų16768.7 Ų68.773%0.73240%0.395SS*.  trans-71.479.3168.7-85-82000111.7I229 S233I229-F231 HydrophobicContact CG2-CD2 3.96Å; I229-F231 HydrophobicContact CG2-CE2 3.68Å; I229-F231 HydrophobicContact CG2-CZ 4.45Å; I229-F231 PolarHBondContact O-N 3.26Å; F231-S233 PolarHBondContact O-N 3.01Å
232L35.3Very low49.1Very low79 Ų7964.8 Ų64.841%0.41437%0.373SS..  trans-53.796.8164.8-93.8161.8000110.1F222 T230F222-L232 HydrophobicContact CE1-CD2 4.36Å; F222-L232 HydrophobicContact CE1-CG 4.24Å; F222-L232 HydrophobicContact CE2-CD2 3.75Å; F222-L232 HydrophobicContact CE2-CG 4.48Å; F222-L232 HydrophobicContact CZ-CD1 4.35Å; F222-L232 HydrophobicContact CZ-CD2 3.43Å; F222-L232 VanDerWaalsContact CZ-CD2 3.43Å; F222-L232 HydrophobicContact CZ-CG 3.67Å; T230-L232 PolarHBondContact O-N 3.41Å
233S35.2Very low51.8Low35 Ų3560.8 Ų60.825%0.24536%0.355CS..  trans-139.3102.9167.267.60000108.1F231 K237F231-S233 PolarHBondContact O-N 3.01Å; S233-K237 WeakPolarHBondContact OG-CE 3.32Å; S233-K237 PolarHBondContact OG-NZ 3Å
234H41.9Very low54.3Low23 Ų2358.7 Ų58.711%0.10633%0.329CS..  trans-117.914.5-170.2-7515.2000112.1P219 V220 F222 S912P219-H234 VanDerWaalsContact CA-O 3.28Å; P219-H234 WeakPolarHBondContact CA-O 3.32Å; V220-H234 PolarHBondContact O-CE1 3.38Å; V220-H234 PolarHBondContact O-ND1 3.2Å; F222-H234 AromaticContact CD2-CE1 3.51Å; F222-H234 AromaticContact CD2-NE2 3.43Å; F222-H234 WeakPolarHBondContact CD2-NE2 3.4Å; F222-H234 AromaticContact CE2-CE1 3.55Å; F222-H234 AromaticContact CE2-NE2 3.32Å; F222-H234 VanDerWaalsContact CE2-NE2 3.32Å; F222-H234 WeakPolarHBondContact CE2-NE2 3.4Å; H234-S912 WeakPolarHBondContact CB-OG 3.49Å; H234-S912 WeakPolarHBondContact O-CB 3.1Å; H234-S912 PolarHBondContact O-OG 3.14Å
235S40.3Very low56.9Low6 Ų653.3 Ų53.34%0.04230%0.295CS..SBendtrans-110.7115.2-172.7-157.30000111K237 V911 S912 P913S235-K237 WeakPolarHBondContact O-CG 3.29Å; S235-V911 WeakPolarHBondContact CB-O 3.18Å; S235-S912 VanDerWaalsContact CA-CB 3.4Å; S235-S912 VanDerWaalsContact N-CB 3.29Å; S235-P913 VanDerWaalsContact OG-CD 3.26Å; S235-P913 WeakPolarHBondContact OG-CD 3.48Å
236L54.8Low59.4Low2 Ų248.3 Ų48.31%0.0127%0.268CS..  trans0.4107.6-167-172142000114.7L175 H214 A215 I218 E254 L255L175-L236 HydrophobicContact CD1-CD1 3.89Å; L175-L236 HydrophobicContact CD1-CD2 4.04Å; L175-L236 HydrophobicContact CD1-CG 4.36Å; H214-L236 VanDerWaalsContact O-CD1 3.25Å; H214-L236 WeakPolarHBondContact O-CD1 3.38Å; A215-L236 VanDerWaalsContact CA-CD1 3.47Å; A215-L236 WeakPolarHBondContact O-CD1 3.48Å; I218-L236 HydrophobicContact CB-CB 3.98Å; I218-L236 HydrophobicContact CB-CD1 3.7Å; I218-L236 HydrophobicContact CB-CG 3.85Å; I218-L236 HydrophobicContact CD1-CD1 3.68Å; I218-L236 HydrophobicContact CD1-CG 4.36Å; I218-L236 HydrophobicContact CG1-CD1 3.65Å; I218-L236 HydrophobicContact CG1-CG 4.33Å; I218-L236 WeakPolarHBondContact O-CA 3.38Å; I218-L236 PolarHBondContact O-N 2.92Å; L236-E254 CarbonylContact O-C 3.57Å; L236-L255 HydrophobicContact CB-CD1 3.79Å; L236-L255 HydrophobicContact CD2-CD1 3.96Å; L236-L255 HydrophobicContact CG-CD1 4.48Å; L236-L255 WeakPolarHBondContact O-CA 3.36Å; L236-L255 WeakPolarHBondContact O-CB 3.43Å; L236-L255 WeakPolarHBondContact O-CD1 3.21Å; L236-L255 PolarHBondContact O-N 3.49Å
237K66.9Low62Low16 Ų1642.4 Ų42.47%0.0723%0.23CC..  trans-124.2111.2-174.6-55.1-161.3113.4-148.50108.8L173 V220 S233 S235 P253 E254L173-K237 VanDerWaalsContact CD2-O 3.32Å; L173-K237 WeakPolarHBondContact CD2-O 3.36Å; V220-K237 HydrophobicContact CG2-CB 3.59Å; V220-K237 HydrophobicContact CG2-CD 3.93Å; V220-K237 HydrophobicContact CG2-CG 3.69Å; S233-K237 WeakPolarHBondContact OG-CE 3.32Å; S233-K237 PolarHBondContact OG-NZ 3Å; S235-K237 WeakPolarHBondContact O-CG 3.29Å; K237-P253 HydrophobicContact CB-CB 3.75Å; K237-P253 HydrophobicContact CB-CG 4.22Å; K237-P253 VanDerWaalsContact CD-O 3.29Å; K237-P253 WeakPolarHBondContact CD-O 3.34Å; K237-P253 WeakPolarHBondContact CE-O 3.38Å; K237-P253 PolarHBondContact NZ-O 3.24Å; K237-E254 WeakPolarHBondContact CA-O 3.46Å
238D84.3Confident64.3Low0 Ų036.3 Ų36.30%020%0.198CC..BIsolated β-bridgetrans-112.7166.7169.894.1-21.3000109.7L173 L175 G240 P253 E254 N256 S259L173-D238 HydrophobicContact CG-CB 3.97Å; L173-D238 WeakPolarHBondContact O-CA 3.35Å; L173-D238 VanDerWaalsContact O-CB 3.31Å; L173-D238 WeakPolarHBondContact O-CB 3.15Å; L175-D238 HydrophobicContact CG-CB 4.35Å; L175-D238 PolarHBondContact N-OD2 3.38Å; D238-G240 PolarHBondContact O-N 3.26Å; D238-G240 WeakPolarHBondContact OD1-CA 3.48Å; D238-G240 PolarHBondContact OD1-N 3.16Å; D238-P253 VanDerWaalsContact C-CB 3.41Å; D238-P253 CarbonylContact O-C 3.57Å; D238-P253 WeakPolarHBondContact O-CA 3.16Å; D238-P253 WeakPolarHBondContact O-CB 3.13Å; D238-E254 PolarHBondContact N-O 3.15Å; D238-E254 PolarHBondContact O-N 3.05Å; D238-N256 PolarHBondContact O-ND2 3.48Å; D238-N256 VanDerWaalsContact O-ND2 3.07Å; D238-N256 PolarHBondContact OD1-ND2 3.02Å; D238-S259 VanDerWaalsContact CG-OG 3.3Å; D238-S259 PolarHBondContact OD1-OG 3Å; D238-S259 WeakPolarHBondContact OD2-CB 3.28Å; D238-S259 PolarHBondContact OD2-OG 3.45Å
239Y88.3Confident66.9Low41 Ų4134 Ų3416%0.16117%0.17CC..  trans-76.6-3.3-178.1-70.7-86.4000112.9P148 G171 L173 E243 R244 G245 G251 P253P148-Y239 HydrophobicContact CB-CE2 4.38Å; G171-Y239 VanDerWaalsContact C-CD2 3.48Å; L173-Y239 HydrophobicContact CB-CD2 3.97Å; L173-Y239 HydrophobicContact CB-CE2 4.13Å; L173-Y239 WeakPolarHBondContact O-CD2 3.44Å; L173-Y239 PolarHBondContact O-N 2.92Å; Y239-E243 PolarHBondContact O-N 3.02Å; Y239-R244 PolarHBondContact O-N 2.89Å; Y239-G245 PolarHBondContact O-N 3.2Å; Y239-G251 VanDerWaalsContact CE1-O 3.27Å; Y239-G251 WeakPolarHBondContact CE1-O 3.47Å; Y239-P253 HydrophobicContact CD1-CB 4.38Å; Y239-P253 HydrophobicContact CD2-CB 4.44Å; Y239-P253 HydrophobicContact CE1-CB 4.41Å; Y239-P253 HydrophobicContact CE1-CG 4.06Å; Y239-P253 HydrophobicContact CE2-CB 4.47Å; Y239-P253 HydrophobicContact CE2-CG 4.1Å; Y239-P253 HydrophobicContact CG-CB 4.38Å
240G88.9Confident69.2Low3 Ų332.8 Ų32.83%0.03116%0.162CC..THydrogen-bonded Turntrans66.5176.9-176.300000113.3D238 W242 E243 N256D238-G240 PolarHBondContact O-N 3.26Å; D238-G240 WeakPolarHBondContact OD1-CA 3.48Å; D238-G240 PolarHBondContact OD1-N 3.16Å; G240-W242 PolarHBondContact O-N 3.22Å; G240-E243 PolarHBondContact O-N 3.13Å; G240-N256 VanDerWaalsContact CA-ND2 3.29Å; G240-N256 WeakPolarHBondContact CA-ND2 3.4Å; G240-N256 PolarHBondContact N-ND2 3.2Å
241I92.3Very high71.4Confident5 Ų530.1 Ų30.13%0.02615%0.151CC..THydrogen-bonded Turntrans-60.5-13.2178.4-161163.8000113.9R47 D176 T258 W460R47-I241 PolarHBondContact NH2-O 3.01Å; D176-I241 WeakPolarHBondContact OD2-CG1 3.3Å; I241-T258 HydrophobicContact CG2-CG2 4.44Å; I241-W460 HydrophobicContact CD1-CH2 3.61Å; I241-W460 HydrophobicContact CD1-CZ2 4.09Å; I241-W460 HydrophobicContact CG1-CH2 3.83Å; I241-W460 HydrophobicContact CG1-CZ3 4.48Å
242W91.9Very high73.6Confident27 Ų2724.9 Ų24.910%0.10213%0.133CC..THydrogen-bonded Turntrans-1058.5177.9-51.9128.5000114.9G240 R244 D314 R353 F354 L388 F389 W460G240-W242 PolarHBondContact O-N 3.22Å; W242-R244 PolarHBondContact O-N 3.02Å; W242-D314 PolarHBondContact NE1-OD1 2.93Å; W242-D314 VanDerWaalsContact NE1-OD1 3.14Å; W242-D314 PolarHBondContact NE1-OD2 2.83Å; W242-R353 HydrophobicContact CH2-CG 4.16Å; W242-R353 HydrophobicContact CZ2-CB 4.09Å; W242-R353 HydrophobicContact CZ2-CG 3.95Å; W242-F354 AromaticContact CD1-CD1 3.94Å; W242-F354 AromaticContact CD1-CE1 3.76Å; W242-F354 HydrophobicContact CG-CE1 4.4Å; W242-L388 HydrophobicContact CH2-CD2 4.49Å; W242-F389 HydrophobicContact CH2-CE1 4.41Å; W242-F389 AromaticContact CH2-CZ 3.71Å; W242-F389 HydrophobicContact CH2-CZ 3.71Å; W242-F389 HydrophobicContact CZ2-CE1 4.39Å; W242-F389 AromaticContact CZ2-CZ 3.71Å; W242-F389 HydrophobicContact CZ2-CZ 3.71Å; W242-W460 HydrophobicContact CH2-CH2 4.35Å; W242-W460 HydrophobicContact CZ3-CH2 4.43Å; W242-W460 HydrophobicContact CZ3-CZ3 4.29Å
243E88.5Confident75.7Confident28 Ų2821.7 Ų21.713%0.13112%0.117CC..THydrogen-bonded Turntrans63.22.5167.3-32.2-151.5131.300117.1W45 R47 W170 Q174 Y239 G240W45-E243 PolarHBondContact NE1-OE1 3.24Å; W45-E243 PolarHBondContact NE1-OE2 2.8Å; R47-E243 IonicContact CZ-OE1 2.73Å; R47-E243 IonicContact NH2-OE1 3.49Å; R47-E243 PolarHBondContact NH2-OE1 3.11Å; W170-E243 VanDerWaalsContact CE2-OE2 3.26Å; W170-E243 VanDerWaalsContact CZ2-OE2 3.23Å; W170-E243 WeakPolarHBondContact CZ2-OE2 3.39Å; W170-E243 PolarHBondContact NE1-OE2 3.32Å; Q174-E243 VanDerWaalsContact NE2-CG 3.35Å; Q174-E243 PolarHBondContact NE2-OE1 2.92Å; Q174-E243 PolarHBondContact OE1-OE1 3.26Å; Q174-E243 VanDerWaalsContact OE1-OE1 3.12Å; Y239-E243 PolarHBondContact O-N 3.02Å; G240-E243 PolarHBondContact O-N 3.13Å
244R82.4Confident77.8Confident43 Ų4320.2 Ų20.216%0.16211%0.106CC..SBendtrans-114-13-175.5-64.7-172.1176.5-174.7-2.5115.5Y239 W242 N249 E364 Y371Y239-R244 PolarHBondContact O-N 2.89Å; W242-R244 PolarHBondContact O-N 3.02Å; R244-N249 HydrophobicContact CB-CB 4.04Å; R244-N249 WeakPolarHBondContact CB-OD1 3.33Å; R244-N249 VanDerWaalsContact CD-OD1 3.29Å; R244-N249 WeakPolarHBondContact CD-OD1 3.41Å; R244-N249 HydrophobicContact CG-CB 4.42Å; R244-N249 PolarHBondContact NH1-ND2 3.12Å; R244-E364 IonicContact CZ-OE1 2.78Å; R244-E364 IonicContact NH1-OE1 2.77Å; R244-E364 PolarHBondContact NH1-OE1 3.13Å; R244-E364 VanDerWaalsContact NH1-OE1 3.12Å; R244-E364 IonicContact NH2-OE1 2.69Å; R244-E364 PolarHBondContact NH2-OE1 2.87Å; R244-Y371 PolarHBondContact NH1-OH 2.88Å
245G83.4Confident79.7Confident4 Ų419.3 Ų19.34%0.04110%0.102CC..  trans86.6-121.618000000113.9Y239 V252 K311Y239-G245 PolarHBondContact O-N 3.2Å; G245-V252 CarbonylContact C-O 3.57Å; G245-V252 WeakPolarHBondContact CA-O 3.47Å; G245-K311 WeakPolarHBondContact O-CE 3.31Å; G245-K311 PolarHBondContact O-NZ 3.02Å
246D84.2Confident82Confident11 Ų1119.1 Ų19.16%0.05910%0.101CC..SBendtrans-71.7156175.7107.5-33.1000111.9T248 N249 V252 E254 K1171D246-T248 PolarHBondContact O-N 3.17Å; D246-T248 VanDerWaalsContact O-N 3.1Å; D246-T248 PolarHBondContact OD1-N 3.13Å; D246-T248 PolarHBondContact OD1-OG1 3.36Å; D246-T248 PolarHBondContact OD2-OG1 3.36Å; D246-T248 VanDerWaalsContact OD2-OG1 3.06Å; D246-N249 WeakPolarHBondContact O-CA 3.32Å; D246-N249 PolarHBondContact O-N 3.39Å; D246-N249 PolarHBondContact O-OD1 3.02Å; D246-V252 PolarHBondContact N-O 3.2Å; D246-E254 WeakPolarHBondContact CA-OE2 3.34Å; D246-E254 HydrophobicContact CB-CG 3.71Å; D246-K1171 IonicContact OD2-NZ 3.24Å; D246-K1171 PolarHBondContact OD2-NZ 3.44Å
247K86.2Confident83.8Confident3 Ų319 Ų191%0.01310%0.1CC..THydrogen-bonded Turntrans-65.6-16.5-169.669.9171.1176.6165.80115.5N249 S310 F354 Y371 L376 E1164 E1169K247-N249 PolarHBondContact O-N 2.99Å; K247-S310 WeakPolarHBondContact CD-O 3.31Å; K247-S310 PolarHBondContact N-OG 2.79Å; K247-S310 VanDerWaalsContact N-OG 3.07Å; K247-F354 HydrophobicContact CB-CE2 3.92Å; K247-Y371 WeakPolarHBondContact O-CD2 3.19Å; K247-L376 HydrophobicContact CD-CD1 4Å; K247-L376 HydrophobicContact CG-CD1 4.13Å; K247-E1164 VanDerWaalsContact CE-O 3.31Å; K247-E1164 WeakPolarHBondContact CE-O 3.39Å; K247-E1164 PolarHBondContact NZ-O 3.07Å; K247-E1169 WeakPolarHBondContact CE-OE2 3.48Å; K247-E1169 IonicContact NZ-OE1 3.27Å; K247-E1169 PolarHBondContact NZ-OE1 2.81Å; K247-E1169 IonicContact NZ-OE2 2.71Å; K247-E1169 PolarHBondContact NZ-OE2 2.72Å
248T83.9Confident85.1Confident5 Ų518.3 Ų18.33%0.03110%0.097CC..THydrogen-bonded Turntrans-75.8-9.1170.221.40000112.3D246 H250 Y370 Y371 P373 L376D246-T248 PolarHBondContact O-N 3.17Å; D246-T248 VanDerWaalsContact O-N 3.1Å; D246-T248 PolarHBondContact OD1-N 3.13Å; D246-T248 PolarHBondContact OD1-OG1 3.36Å; D246-T248 PolarHBondContact OD2-OG1 3.36Å; D246-T248 VanDerWaalsContact OD2-OG1 3.06Å; T248-H250 PolarHBondContact O-N 3.32Å; T248-H250 VanDerWaalsContact O-N 3.16Å; T248-Y370 WeakPolarHBondContact O-CA 3.29Å; T248-Y371 PolarHBondContact O-N 2.97Å; T248-P373 HydrophobicContact CG2-CG 4.28Å; T248-L376 HydrophobicContact CG2-CD1 4.01Å
249N82Confident85.6Confident14 Ų1418.3 Ų18.38%0.07510%0.097CC..  trans59.123.8175.2-57.5-38.9000114.3R244 D246 K247 G251 L369 Y371R244-N249 HydrophobicContact CB-CB 4.04Å; R244-N249 WeakPolarHBondContact CB-OD1 3.33Å; R244-N249 VanDerWaalsContact CD-OD1 3.29Å; R244-N249 WeakPolarHBondContact CD-OD1 3.41Å; R244-N249 HydrophobicContact CG-CB 4.42Å; R244-N249 PolarHBondContact NH1-ND2 3.12Å; D246-N249 WeakPolarHBondContact O-CA 3.32Å; D246-N249 PolarHBondContact O-N 3.39Å; D246-N249 PolarHBondContact O-OD1 3.02Å; K247-N249 PolarHBondContact O-N 2.99Å; N249-G251 PolarHBondContact O-N 3.33Å; N249-L369 WeakPolarHBondContact CB-O 3.37Å; N249-Y371 WeakPolarHBondContact ND2-CD2 3.12Å; N249-Y371 WeakPolarHBondContact ND2-CE2 3.5Å; N249-Y371 PolarHBondContact ND2-OH 3.13Å
250H80Confident85.8Confident90 Ų9016.4 Ų16.442%0.4179%0.09SC..SBendtrans-71.215.8174.7-67.1-57.9000113.5T248 V252 Y370T248-H250 PolarHBondContact O-N 3.32Å; T248-H250 VanDerWaalsContact O-N 3.16Å; H250-V252 HydrophobicContact CB-CG2 4.16Å; H250-V252 PolarHBondContact O-N 3.04Å; H250-V252 VanDerWaalsContact O-N 3.16Å; H250-Y370 AromaticContact CE1-CD2 3.52Å; H250-Y370 WeakPolarHBondContact ND1-CB 3.42Å; H250-Y370 AromaticContact ND1-CD2 3.64Å; H250-Y370 AromaticContact ND1-CG 3.65Å
251G75.6Confident86.1Confident30 Ų3016.3 Ų16.331%0.3099%0.088SC..SBendtrans65.312.3-173.500000114.3Y239 N249 P253Y239-G251 VanDerWaalsContact CE1-O 3.27Å; Y239-G251 WeakPolarHBondContact CE1-O 3.47Å; N249-G251 PolarHBondContact O-N 3.33Å; G251-P253 VanDerWaalsContact O-CD 3.23Å; G251-P253 WeakPolarHBondContact O-CD 3.34Å
252V78.8Confident86.3Confident57 Ų5716.2 Ų16.235%0.3459%0.088SC..  trans-75.7108.8172.5176.80000107.1G245 D246 H250G245-V252 CarbonylContact C-O 3.57Å; G245-V252 WeakPolarHBondContact CA-O 3.47Å; D246-V252 PolarHBondContact N-O 3.2Å; H250-V252 HydrophobicContact CB-CG2 4.16Å; H250-V252 PolarHBondContact O-N 3.04Å; H250-V252 VanDerWaalsContact O-N 3.16Å
253P78.7Confident86.5Confident12 Ų1215 Ų158%0.0788%0.083CC..  trans-76.3170.2-173.91.216.3000110.3K237 D238 Y239 G251K237-P253 HydrophobicContact CB-CB 3.75Å; K237-P253 HydrophobicContact CB-CG 4.22Å; K237-P253 VanDerWaalsContact CD-O 3.29Å; K237-P253 WeakPolarHBondContact CD-O 3.34Å; K237-P253 WeakPolarHBondContact CE-O 3.38Å; K237-P253 PolarHBondContact NZ-O 3.24Å; D238-P253 VanDerWaalsContact C-CB 3.41Å; D238-P253 CarbonylContact O-C 3.57Å; D238-P253 WeakPolarHBondContact O-CA 3.16Å; D238-P253 WeakPolarHBondContact O-CB 3.13Å; Y239-P253 HydrophobicContact CD1-CB 4.38Å; Y239-P253 HydrophobicContact CD2-CB 4.44Å; Y239-P253 HydrophobicContact CE1-CB 4.41Å; Y239-P253 HydrophobicContact CE1-CG 4.06Å; Y239-P253 HydrophobicContact CE2-CB 4.47Å; Y239-P253 HydrophobicContact CE2-CG 4.1Å; Y239-P253 HydrophobicContact CG-CB 4.38Å; G251-P253 VanDerWaalsContact O-CD 3.23Å; G251-P253 WeakPolarHBondContact O-CD 3.34Å
254E79.3Confident86.9Confident5 Ų513.8 Ų13.82%0.0238%0.078CC..BIsolated β-bridgetrans-137.6162.5-176.3-71.4-162.7109.300114.1L236 K237 D238 D246 N256 S308 Y309 S310 K311L236-E254 CarbonylContact O-C 3.57Å; K237-E254 WeakPolarHBondContact CA-O 3.46Å; D238-E254 PolarHBondContact N-O 3.15Å; D238-E254 PolarHBondContact O-N 3.05Å; D246-E254 WeakPolarHBondContact CA-OE2 3.34Å; D246-E254 HydrophobicContact CB-CG 3.71Å; E254-N256 PolarHBondContact O-N 2.96Å; E254-N256 VanDerWaalsContact O-N 3.13Å; E254-N256 PolarHBondContact O-ND2 2.85Å; E254-S308 PolarHBondContact OE1-OG 3.41Å; E254-S308 VanDerWaalsContact OE2-CB 3.26Å; E254-S308 WeakPolarHBondContact OE2-CB 3.45Å; E254-S308 PolarHBondContact OE2-OG 3.2Å; E254-Y309 WeakPolarHBondContact OE1-CB 3.35Å; E254-Y309 PolarHBondContact OE1-N 3.46Å; E254-S310 VanDerWaalsContact CD-OG 3.28Å; E254-S310 WeakPolarHBondContact OE1-CB 3.22Å; E254-S310 PolarHBondContact OE1-N 3.43Å; E254-S310 PolarHBondContact OE1-OG 2.82Å; E254-S310 PolarHBondContact OE2-OG 2.95Å; E254-K311 IonicContact OE2-NZ 3.45Å; E254-K311 PolarHBondContact OE2-NZ 3.26Å
255L82.4Confident87.6Confident3 Ų311.8 Ų11.82%0.0167%0.07CC..  trans-75.693.7166.5-173.976.6000107.9L236 I260 V299 L303 S308L236-L255 HydrophobicContact CB-CD1 3.79Å; L236-L255 HydrophobicContact CD2-CD1 3.96Å; L236-L255 HydrophobicContact CG-CD1 4.48Å; L236-L255 WeakPolarHBondContact O-CA 3.36Å; L236-L255 WeakPolarHBondContact O-CB 3.43Å; L236-L255 WeakPolarHBondContact O-CD1 3.21Å; L236-L255 PolarHBondContact O-N 3.49Å; L255-I260 HydrophobicContact CD1-CD1 3.86Å; L255-I260 HydrophobicContact CD1-CG1 4.49Å; L255-I260 HydrophobicContact CG-CD1 3.9Å; L255-V299 HydrophobicContact CD2-CG1 4.21Å; L255-L303 HydrophobicContact CD2-CD1 4.26Å; L255-L303 HydrophobicContact CG-CD1 4.44Å; L255-S308 WeakPolarHBondContact O-CA 3.33Å
256N88.8Confident88.3Confident2 Ų211.6 Ų11.61%0.0117%0.068CC..  trans-94.6122.7-176.6-65.7-61000110.3D238 G240 E254 T258 S259 I260 E307 K311D238-N256 PolarHBondContact O-ND2 3.48Å; D238-N256 VanDerWaalsContact O-ND2 3.07Å; D238-N256 PolarHBondContact OD1-ND2 3.02Å; G240-N256 VanDerWaalsContact CA-ND2 3.29Å; G240-N256 WeakPolarHBondContact CA-ND2 3.4Å; G240-N256 PolarHBondContact N-ND2 3.2Å; E254-N256 PolarHBondContact O-N 2.96Å; E254-N256 VanDerWaalsContact O-N 3.13Å; E254-N256 PolarHBondContact O-ND2 2.85Å; N256-T258 VanDerWaalsContact C-N 3.31Å; N256-T258 PolarHBondContact O-N 3.42Å; N256-S259 PolarHBondContact O-N 3.04Å; N256-I260 PolarHBondContact O-N 3.23Å; N256-E307 VanDerWaalsContact C-OE1 3.31Å; N256-E307 WeakPolarHBondContact CA-OE1 3.34Å; N256-E307 VanDerWaalsContact CB-OE1 3.24Å; N256-E307 WeakPolarHBondContact CB-OE1 3.32Å; N256-K311 PolarHBondContact OD1-NZ 3.18Å; N256-K311 VanDerWaalsContact OD1-NZ 3.08Å
257A92Very high88.9Confident0 Ų011 Ų110%07%0.065CC..Hα-helixtrans-63.3-34.3-178.300000112.7S259 I260 G261 L300 L303 L304 E307 L317 I320A257-S259 VanDerWaalsContact C-N 3.32Å; A257-S259 PolarHBondContact O-N 2.83Å; A257-I260 PolarHBondContact O-N 2.87Å; A257-G261 PolarHBondContact O-N 3.38Å; A257-L300 HydrophobicContact CB-CD2 4.35Å; A257-L303 HydrophobicContact CB-CB 4.14Å; A257-L303 HydrophobicContact CB-CD1 3.8Å; A257-L304 HydrophobicContact CB-CD2 3.7Å; A257-E307 WeakPolarHBondContact CB-O 3.25Å; A257-E307 WeakPolarHBondContact CB-OE2 3.46Å; A257-E307 PolarHBondContact N-O 3.28Å; A257-E307 PolarHBondContact N-OE1 2.84Å; A257-L317 HydrophobicContact CB-CD2 3.96Å; A257-I320 WeakPolarHBondContact O-CD1 3.48Å
258T95.4Very high89.3Confident1 Ų113.5 Ų13.51%0.0068%0.077CC..Hα-helixtrans-52.3-48.2171.247.10000112.3I241 N256 G261 M262 E307 G316 L317 I320I241-T258 HydrophobicContact CG2-CG2 4.44Å; N256-T258 VanDerWaalsContact C-N 3.31Å; N256-T258 PolarHBondContact O-N 3.42Å; T258-G261 PolarHBondContact O-N 2.97Å; T258-M262 WeakPolarHBondContact O-CB 3.42Å; T258-M262 PolarHBondContact O-N 3.4Å; T258-E307 WeakPolarHBondContact CB-OE1 3.41Å; T258-E307 PolarHBondContact N-OE1 3.47Å; T258-E307 PolarHBondContact N-OE2 3.41Å; T258-E307 VanDerWaalsContact N-OE2 3.13Å; T258-E307 PolarHBondContact OG1-OE1 2.85Å; T258-G316 VanDerWaalsContact CG2-C 3.44Å; T258-L317 HydrophobicContact CG2-CD2 4.38Å; T258-I320 WeakPolarHBondContact O-CG2 3.5Å
259S94.2Very high89.8Confident1 Ų113.6 Ų13.61%0.0078%0.078CC..Hα-helixtrans-65.3-43.3-179.8-59.30000112.5D238 N256 A257 A263D238-S259 VanDerWaalsContact CG-OG 3.3Å; D238-S259 PolarHBondContact OD1-OG 3Å; D238-S259 WeakPolarHBondContact OD2-CB 3.28Å; D238-S259 PolarHBondContact OD2-OG 3.45Å; N256-S259 PolarHBondContact O-N 3.04Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-S259 PolarHBondContact O-N 2.83Å; S259-A263 VanDerWaalsContact O-CB 3.29Å; S259-A263 WeakPolarHBondContact O-CB 3.41Å; S259-A263 PolarHBondContact O-N 3.19Å
260I92.7Very high90.5Very high1 Ų112.9 Ų12.91%0.0058%0.075CC..Hα-helixtrans-64-43.1175.9-59.5154000111A215 L255 N256 A257 A263 K264 C296 V299 L300 L303A215-I260 WeakPolarHBondContact O-CG1 3.3Å; L255-I260 HydrophobicContact CD1-CD1 3.86Å; L255-I260 HydrophobicContact CD1-CG1 4.49Å; L255-I260 HydrophobicContact CG-CD1 3.9Å; N256-I260 PolarHBondContact O-N 3.23Å; A257-I260 PolarHBondContact O-N 2.87Å; I260-A263 PolarHBondContact O-N 2.95Å; I260-K264 WeakPolarHBondContact O-CB 3.43Å; I260-K264 PolarHBondContact O-N 3.41Å; I260-C296 HydrophobicContact CG2-CB 3.92Å; I260-V299 HydrophobicContact CD1-CB 4.39Å; I260-V299 HydrophobicContact CD1-CG1 3.67Å; I260-V299 HydrophobicContact CG2-CB 4.35Å; I260-L300 HydrophobicContact CB-CD2 4.16Å; I260-L300 HydrophobicContact CG2-CD1 4.33Å; I260-L300 HydrophobicContact CG2-CD2 4.09Å; I260-L300 HydrophobicContact CG2-CG 3.89Å; I260-L303 HydrophobicContact CD1-CD1 3.5Å; I260-L303 VanDerWaalsContact CD1-CD1 3.5Å
261G95.4Very high91.1Very high0 Ų011.4 Ų11.40%07%0.07CC..Hα-helixtrans-63.6-45.3179.400000112.1A257 T258 K264 A265 A327A257-G261 PolarHBondContact O-N 3.38Å; T258-G261 PolarHBondContact O-N 2.97Å; G261-K264 PolarHBondContact O-N 2.83Å; G261-A265 WeakPolarHBondContact O-CB 3.38Å; G261-A265 PolarHBondContact O-N 2.7Å; G261-A327 WeakPolarHBondContact O-CB 3.47Å
262M97.1Very high91.9Very high4 Ų412.4 Ų12.42%0.028%0.08CC..Hα-helixtrans-65.4-42.2176.6-156.76367.100111.5S179 I180 L183 T258 A265 A266 I320 P324 A325S179-M262 VanDerWaalsContact CB-C 3.45Å; I180-M262 HydrophobicContact CB-CG 3.97Å; I180-M262 HydrophobicContact CB-SD 3.98Å; I180-M262 HydrophobicContact CD1-CE 4.45Å; I180-M262 HydrophobicContact CD1-SD 3.81Å; I180-M262 HydrophobicContact CG1-SD 4.36Å; L183-M262 HydrophobicContact CD2-SD 3.89Å; T258-M262 WeakPolarHBondContact O-CB 3.42Å; T258-M262 PolarHBondContact O-N 3.4Å; M262-A265 PolarHBondContact O-N 3.38Å; M262-A266 PolarHBondContact O-N 3.02Å; M262-I320 HydrophobicContact CE-CG2 4.23Å; M262-P324 HydrophobicContact CE-CG 4.32Å; M262-P324 HydrophobicContact SD-CG 4.45Å; M262-A325 HydrophobicContact CE-CB 4.19Å; M262-A325 HydrophobicContact SD-CB 3.78Å
263A96.2Very high92.6Very high0 Ų010.9 Ų10.90%07%0.07CC..Hα-helixtrans-62.3-47.3176.200000112.2S179 I212 A215 S259 I260 A265 A266 L267S179-A263 VanDerWaalsContact OG-CA 3.25Å; S179-A263 WeakPolarHBondContact OG-CA 3.45Å; S179-A263 PolarHBondContact OG-N 2.93Å; I212-A263 HydrophobicContact CB-CB 4.42Å; I212-A263 HydrophobicContact CD1-CB 4.4Å; A215-A263 HydrophobicContact CB-CB 3.4Å; A215-A263 VanDerWaalsContact CB-CB 3.4Å; S259-A263 VanDerWaalsContact O-CB 3.29Å; S259-A263 WeakPolarHBondContact O-CB 3.41Å; S259-A263 PolarHBondContact O-N 3.19Å; I260-A263 PolarHBondContact O-N 2.95Å; A263-A265 PolarHBondContact O-N 3.05Å; A263-A266 PolarHBondContact O-N 2.77Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 WeakPolarHBondContact O-CD1 3.21Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 3.1Å
264K95.6Very high93.3Very high4 Ų411.7 Ų11.72%0.0177%0.073CC..Hα-helixtrans-53.8-43.5173.2-172.7-171.4173.1-163.40111.4I260 G261 Q268 I293 C296 D297 L300 A327I260-K264 WeakPolarHBondContact O-CB 3.43Å; I260-K264 PolarHBondContact O-N 3.41Å; G261-K264 PolarHBondContact O-N 2.83Å; K264-Q268 WeakPolarHBondContact O-CB 3.45Å; K264-Q268 VanDerWaalsContact O-CG 3.28Å; K264-Q268 WeakPolarHBondContact O-CG 3.31Å; K264-Q268 PolarHBondContact O-N 3.47Å; K264-I293 HydrophobicContact CG-CG2 4.4Å; K264-C296 HydrophobicContact CB-CB 3.87Å; K264-C296 HydrophobicContact CG-CB 4.12Å; K264-D297 HydrophobicContact CD-CB 4.21Å; K264-D297 IonicContact NZ-OD1 3.66Å; K264-D297 PolarHBondContact NZ-OD1 3.02Å; K264-D297 IonicContact NZ-OD2 3.29Å; K264-D297 PolarHBondContact NZ-OD2 3.41Å; K264-L300 HydrophobicContact CB-CD1 4.46Å; K264-L300 HydrophobicContact CD-CD1 3.74Å; K264-A327 WeakPolarHBondContact CE-O 3.42Å; K264-A327 PolarHBondContact NZ-O 3.3Å
265A97Very high94Very high0 Ų011.5 Ų11.50%07%0.072CC..Hα-helixtrans-67.2-43.7-179.900000112.8L183 G261 M262 A263 Q268 A269 A325 A327 R486L183-A265 HydrophobicContact CD1-CB 4.36Å; L183-A265 HydrophobicContact CD2-CB 4.06Å; G261-A265 WeakPolarHBondContact O-CB 3.38Å; G261-A265 PolarHBondContact O-N 2.7Å; M262-A265 PolarHBondContact O-N 3.38Å; A263-A265 PolarHBondContact O-N 3.05Å; A265-Q268 PolarHBondContact O-N 3.32Å; A265-A269 WeakPolarHBondContact O-CB 3.39Å; A265-A269 PolarHBondContact O-N 3.19Å; A265-A325 HydrophobicContact CB-CB 3.61Å; A265-A325 WeakPolarHBondContact CB-O 3.27Å; A265-A327 HydrophobicContact CB-CB 4.39Å; A265-R486 PolarHBondContact O-NH1 3.24Å
266A97.9Very high94.5Very high0 Ų012.6 Ų12.60%08%0.077CC..Hα-helixtrans-61-48.1174.800000112.1S179 L182 L183 I212 M262 A263 Q268 A269 L270S179-A266 WeakPolarHBondContact O-CB 3.23Å; L182-A266 HydrophobicContact CB-CB 3.88Å; L183-A266 HydrophobicContact CB-CB 4.35Å; I212-A266 HydrophobicContact CD1-CB 3.66Å; M262-A266 PolarHBondContact O-N 3.02Å; A263-A266 PolarHBondContact O-N 2.77Å; A266-Q268 VanDerWaalsContact C-N 3.35Å; A266-Q268 PolarHBondContact O-N 3.13Å; A266-A269 PolarHBondContact O-N 3.3Å; A266-L270 WeakPolarHBondContact O-CB 3.22Å; A266-L270 WeakPolarHBondContact O-CG 3.37Å; A266-L270 PolarHBondContact O-N 2.81Å
267L96.7Very high94.4Very high0 Ų014.1 Ų14.10%09%0.093CC..Hα-helixtrans-58.7-43.6177.1-70.2167.1000111.9V209 I212 E213 A263 N271 V288 I293V209-L267 HydrophobicContact CG1-CD2 4.01Å; I212-L267 HydrophobicContact CD1-CD2 4.13Å; I212-L267 HydrophobicContact CD1-CG 3.93Å; I212-L267 HydrophobicContact CG1-CD2 4.02Å; I212-L267 HydrophobicContact CG1-CG 4.25Å; E213-L267 HydrophobicContact CB-CD2 4.01Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 WeakPolarHBondContact O-CD1 3.21Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 3.1Å; L267-N271 WeakPolarHBondContact O-CB 3.38Å; L267-N271 PolarHBondContact O-N 3.32Å; L267-V288 HydrophobicContact CB-CG1 4.06Å; L267-V288 HydrophobicContact CD2-CG1 3.7Å; L267-V288 HydrophobicContact CG-CG1 4.46Å; L267-I293 HydrophobicContact CB-CD1 4.32Å; L267-I293 HydrophobicContact CB-CG1 3.81Å
268Q95.1Very high93.9Very high54 Ų5420.4 Ų20.425%0.25213%0.132SC..Hα-helixtrans-67.4-38.9174.7-77.4178.3-24.600113.2K264 A265 A266 I293K264-Q268 WeakPolarHBondContact O-CB 3.45Å; K264-Q268 VanDerWaalsContact O-CG 3.28Å; K264-Q268 WeakPolarHBondContact O-CG 3.31Å; K264-Q268 PolarHBondContact O-N 3.47Å; A265-Q268 PolarHBondContact O-N 3.32Å; A266-Q268 VanDerWaalsContact C-N 3.35Å; A266-Q268 PolarHBondContact O-N 3.13Å; Q268-I293 HydrophobicContact CG-CD1 4.15Å; Q268-I293 HydrophobicContact CG-CG1 4.44Å; Q268-I293 HydrophobicContact CG-CG2 3.56Å
269A95.8Very high93.4Very high7 Ų729.1 Ų29.16%0.05817%0.166CC..Hα-helixtrans-73.8-29.2-176.100000113.2L183 A186 A265 A266 L484L183-A269 HydrophobicContact CD1-CB 3.69Å; A186-A269 HydrophobicContact CB-CB 3.67Å; A265-A269 WeakPolarHBondContact O-CB 3.39Å; A265-A269 PolarHBondContact O-N 3.19Å; A266-A269 PolarHBondContact O-N 3.3Å; A269-L484 HydrophobicContact CB-CD1 3.75Å
270L95.9Very high92.7Very high0 Ų030.8 Ų30.80%018%0.183CC..Hα-helixtrans-87.2-18.2178-72173.4000114.1L182 A186 V209 A266 G272 L273 L275 I286L182-L270 HydrophobicContact CB-CD1 3.97Å; L182-L270 HydrophobicContact CD1-CD1 4.35Å; L182-L270 HydrophobicContact CD2-CD1 4.05Å; L182-L270 HydrophobicContact CG-CD1 4.34Å; A186-L270 HydrophobicContact CB-CD2 3.93Å; A186-L270 HydrophobicContact CB-CG 4.29Å; V209-L270 HydrophobicContact CG2-CD1 3.65Å; A266-L270 WeakPolarHBondContact O-CB 3.22Å; A266-L270 WeakPolarHBondContact O-CG 3.37Å; A266-L270 PolarHBondContact O-N 2.81Å; L270-G272 PolarHBondContact O-N 3.18Å; L270-L273 HydrophobicContact CD2-CD2 4.17Å; L270-L273 WeakPolarHBondContact O-CB 3.44Å; L270-L273 PolarHBondContact O-N 3.27Å; L270-L275 HydrophobicContact CD2-CD2 4.19Å; L270-I286 HydrophobicContact CB-CB 4.49Å; L270-I286 HydrophobicContact CB-CG2 3.89Å
271N93.5Very high92.3Very high59 Ų5932.7 Ų32.732%0.31620%0.197SC..THydrogen-bonded Turntrans-67.3106.4-172.4-176.139000112.9L267 L273 V288L267-N271 WeakPolarHBondContact O-CB 3.38Å; L267-N271 PolarHBondContact O-N 3.32Å; N271-L273 VanDerWaalsContact C-N 3.34Å; N271-V288 HydrophobicContact CB-CB 3.89Å; N271-V288 HydrophobicContact CB-CG2 3.99Å; N271-V288 PolarHBondContact OD1-N 2.95Å; N271-V288 PolarHBondContact OD1-O 2.86Å
272G91.1Very high91.7Very high51 Ų5135.8 Ų35.853%0.52622%0.217SC..THydrogen-bonded Turntrans82.39.5-175.700000114L270 I286L270-G272 PolarHBondContact O-N 3.18Å; G272-I286 WeakPolarHBondContact CA-O 3.4Å; G272-I286 PolarHBondContact N-O 3.13Å
273L93.7Very high91.1Very high24 Ų2438.9 Ų38.913%0.12623%0.234CC..  trans-81.1131.3175.9-174.571.3000110.7A186 T189 L270 N271 L275 V285 I286A186-L273 HydrophobicContact CB-CD2 3.71Å; T189-L273 HydrophobicContact CG2-CD2 4.46Å; L270-L273 HydrophobicContact CD2-CD2 4.17Å; L270-L273 WeakPolarHBondContact O-CB 3.44Å; L270-L273 PolarHBondContact O-N 3.27Å; N271-L273 VanDerWaalsContact C-N 3.34Å; L273-L275 HydrophobicContact CD2-CD2 4.49Å; L273-V285 WeakPolarHBondContact O-CA 3.27Å; L273-I286 PolarHBondContact O-N 3.15Å
274D94.4Very high90.9Very high30 Ų3038.9 Ų38.916%0.1623%0.234CC..BIsolated β-bridgetrans-84.7118.2168.2-163.7-45.1000110.5T189 F276 G277 G280 S281 S284 V285T189-D274 VanDerWaalsContact CG2-O 3.25Å; T189-D274 WeakPolarHBondContact CG2-O 3.46Å; D274-F276 PolarHBondContact O-N 3.15Å; D274-F276 PolarHBondContact OD1-N 3.08Å; D274-G277 PolarHBondContact O-N 3.26Å; D274-G280 VanDerWaalsContact CG-CA 3.45Å; D274-G280 WeakPolarHBondContact OD1-CA 3.45Å; D274-G280 WeakPolarHBondContact OD2-CA 3.39Å; D274-S281 PolarHBondContact OD2-N 3.5Å; D274-S284 VanDerWaalsContact CG-OG 3.24Å; D274-S284 VanDerWaalsContact OD1-CB 3.25Å; D274-S284 WeakPolarHBondContact OD1-CB 3.5Å; D274-S284 PolarHBondContact OD1-OG 3.5Å; D274-S284 PolarHBondContact OD2-OG 2.79Å; D274-V285 HydrophobicContact CB-CG2 4.12Å
275L94.1Very high90.8Very high0 Ų040.3 Ų40.30%024%0.243CC..THydrogen-bonded Turntrans-70.2-15-176.7-70.4177.6000114.2L185 V196 V202 V205 L270 L273 S284 I286L185-L275 HydrophobicContact CD2-CD2 4.26Å; L185-L275 HydrophobicContact CG-CD2 4.36Å; V196-L275 HydrophobicContact CB-CB 4.12Å; V196-L275 HydrophobicContact CG1-CB 4.29Å; V196-L275 HydrophobicContact CG1-CD1 4.42Å; V196-L275 HydrophobicContact CG2-CB 4.33Å; V196-L275 HydrophobicContact CG2-CD1 4.38Å; V202-L275 HydrophobicContact CB-CD1 4.41Å; V202-L275 HydrophobicContact CG1-CD1 4.31Å; V202-L275 HydrophobicContact CG2-CB 4.3Å; V202-L275 HydrophobicContact CG2-CD1 4.15Å; V205-L275 HydrophobicContact CB-CD1 3.87Å; V205-L275 HydrophobicContact CG1-CD1 3.78Å; V205-L275 HydrophobicContact CG2-CD1 4.28Å; L270-L275 HydrophobicContact CD2-CD2 4.19Å; L273-L275 HydrophobicContact CD2-CD2 4.49Å; L275-S284 PolarHBondContact N-O 2.93Å; L275-I286 HydrophobicContact CD1-CD1 3.71Å; L275-I286 HydrophobicContact CD1-CG1 3.53Å; L275-I286 HydrophobicContact CD2-CG1 4.35Å; L275-I286 HydrophobicContact CG-CD1 4.47Å; L275-I286 HydrophobicContact CG-CG1 3.76Å
276F92.7Very high90.7Very high27 Ų2740.3 Ų40.312%0.11824%0.243CC..THydrogen-bonded Turntrans-94.21171.4-58.5-17.8000112.4V196 I199 V202 D274 T278 Y279 S284V196-F276 HydrophobicContact CG1-CE1 4.11Å; V196-F276 VanDerWaalsContact O-CD1 3.27Å; V196-F276 WeakPolarHBondContact O-CD1 3.5Å; I199-F276 HydrophobicContact CD1-CE2 3.84Å; I199-F276 HydrophobicContact CD1-CZ 3.9Å; V202-F276 HydrophobicContact CG2-CE1 3.9Å; V202-F276 HydrophobicContact CG2-CZ 4.09Å; D274-F276 PolarHBondContact O-N 3.15Å; D274-F276 PolarHBondContact OD1-N 3.08Å; F276-T278 PolarHBondContact O-N 3.24Å; F276-Y279 PolarHBondContact O-N 3.18Å; F276-S284 VanDerWaalsContact CD2-CB 3.44Å; F276-S284 VanDerWaalsContact CD2-OG 3.32Å; F276-S284 WeakPolarHBondContact CD2-OG 3.15Å
277G86.7Confident90.5Very high34 Ų3441.1 Ų41.135%0.35125%0.246SC..G310 helixtrans59.4-124.3178.200000112.6D274 Y279 G280D274-G277 PolarHBondContact O-N 3.26Å; G277-Y279 PolarHBondContact O-N 2.78Å; G277-G280 PolarHBondContact O-N 3.22Å
278T81.2Confident90.3Very high131 Ų13141.2 Ų41.280%0.80425%0.247SC*.G310 helixtrans-69.5-12.9-177.952.50000114.7F276 G280F276-T278 PolarHBondContact O-N 3.24Å; T278-G280 VanDerWaalsContact C-N 3.34Å
279Y83.9Confident90.1Very high184 Ų18438.8 Ų38.872%0.72224%0.236SC*.G310 helixtrans-101.317.7176.5-57.4-72000112.2F276 G277F276-Y279 PolarHBondContact O-N 3.18Å; G277-Y279 PolarHBondContact O-N 2.78Å
280G79.8Confident89.8Confident36 Ų3638.6 Ų38.637%0.37123%0.233SC..  trans-66.9166.8-172.200000117.4D274 G277 T278D274-G280 VanDerWaalsContact CG-CA 3.45Å; D274-G280 WeakPolarHBondContact OD1-CA 3.45Å; D274-G280 WeakPolarHBondContact OD2-CA 3.39Å; G277-G280 PolarHBondContact O-N 3.22Å; T278-G280 VanDerWaalsContact C-N 3.34Å
281S84.6Confident89.4Confident42 Ų4239.2 Ų39.229%0.29424%0.237SC..  trans-143.1155.418072.40000108.7D274 N283 S284D274-S281 PolarHBondContact OD2-N 3.5Å; S281-N283 PolarHBondContact O-N 3.03Å; S281-N283 PolarHBondContact OG-N 2.72Å; S281-S284 PolarHBondContact N-OG 2.65Å; S281-S284 PolarHBondContact O-N 2.85Å; S281-S284 PolarHBondContact O-OG 2.88Å; S281-S284 PolarHBondContact OG-N 2.84Å; S281-S284 PolarHBondContact OG-OG 2.95Å; S281-S284 VanDerWaalsContact OG-OG 3.08Å
282P83.7Confident89.1Confident65 Ų6536.8 Ų36.842%0.42222%0.224SC..THydrogen-bonded Turntrans-58.6-13.2176.4-2535.2000115.6H677P282-H677 HydrophobicContact CB-CB 3.36Å; P282-H677 VanDerWaalsContact CB-CD2 3.48Å; P282-H677 WeakPolarHBondContact CB-CD2 3.47Å
283N84.7Confident89.1Confident69 Ų6934.7 Ų34.737%0.36920%0.2SC..THydrogen-bonded Turntrans-97.2-5.1177.9-62.75.7000113.1I199 S281I199-N283 HydrophobicContact CD1-CB 4.2Å; S281-N283 PolarHBondContact O-N 3.03Å; S281-N283 PolarHBondContact OG-N 2.72Å
284S90.8Very high88.8Confident0 Ų033.9 Ų33.90%020%0.196CC..SBendtrans-101.73.6172.350.40000113.6D274 L275 F276 S281D274-S284 VanDerWaalsContact CG-OG 3.24Å; D274-S284 VanDerWaalsContact OD1-CB 3.25Å; D274-S284 WeakPolarHBondContact OD1-CB 3.5Å; D274-S284 PolarHBondContact OD1-OG 3.5Å; D274-S284 PolarHBondContact OD2-OG 2.79Å; L275-S284 PolarHBondContact N-O 2.93Å; F276-S284 VanDerWaalsContact CD2-CB 3.44Å; F276-S284 VanDerWaalsContact CD2-OG 3.32Å; F276-S284 WeakPolarHBondContact CD2-OG 3.15Å; S281-S284 PolarHBondContact N-OG 2.65Å; S281-S284 PolarHBondContact O-N 2.85Å; S281-S284 PolarHBondContact O-OG 2.88Å; S281-S284 PolarHBondContact OG-N 2.84Å; S281-S284 PolarHBondContact OG-OG 2.95Å; S281-S284 VanDerWaalsContact OG-OG 3.08Å
285V93.1Very high88.3Confident34 Ų3434.5 Ų34.521%0.20620%0.198CC..BIsolated β-bridgetrans-80.4128.1173.7179.90000111L273 D274L273-V285 WeakPolarHBondContact O-CA 3.27Å; D274-V285 HydrophobicContact CB-CG2 4.12Å
286I95Very high88Confident0 Ų034.5 Ų34.50%020%0.198CC..  trans-85.5134.6171.6-64.6-66.3000110V202 V205 Q206 V209 L270 G272 L273 L275 V288V202-I286 HydrophobicContact CG1-CD1 4.09Å; V205-I286 HydrophobicContact CB-CD1 4.44Å; V205-I286 HydrophobicContact CG1-CD1 4.19Å; V205-I286 HydrophobicContact CG1-CG1 4.48Å; Q206-I286 HydrophobicContact CB-CD1 3.73Å; Q206-I286 HydrophobicContact CG-CD1 4.45Å; V209-I286 HydrophobicContact CG2-CG2 3.88Å; L270-I286 HydrophobicContact CB-CB 4.49Å; L270-I286 HydrophobicContact CB-CG2 3.89Å; G272-I286 WeakPolarHBondContact CA-O 3.4Å; G272-I286 PolarHBondContact N-O 3.13Å; L273-I286 PolarHBondContact O-N 3.15Å; L275-I286 HydrophobicContact CD1-CD1 3.71Å; L275-I286 HydrophobicContact CD1-CG1 3.53Å; L275-I286 HydrophobicContact CD2-CG1 4.35Å; L275-I286 HydrophobicContact CG-CD1 4.47Å; L275-I286 HydrophobicContact CG-CG1 3.76Å; I286-V288 HydrophobicContact CG2-CG2 4.3Å
287H93.4Very high87.8Confident16 Ų1633.5 Ų33.57%0.07419%0.194CC..  trans-114.1139.1176.6-58.6-84.2000110.9Q206 Y541 L544 K675 F678Q206-H287 PolarHBondContact NE2-O 3.41Å; Q206-H287 PolarHBondContact OE1-O 3.28Å; H287-Y541 HydrophobicContact CB-CE1 4.07Å; H287-L544 HydrophobicContact CB-CD2 3.8Å; H287-K675 PolarHBondContact CE1-O 3.3Å; H287-K675 VanDerWaalsContact CE1-O 3.23Å; H287-F678 AromaticContact CD2-CD1 3.71Å; H287-F678 AromaticContact CD2-CE1 3.73Å; H287-F678 AromaticContact NE2-CD1 3.66Å; H287-F678 AromaticContact NE2-CE1 3.86Å
288V93.2Very high87.6Confident2 Ų232.1 Ų32.11%0.01218%0.179CC..  trans-131.7140.3178.8-172.50000109.8V209 L267 N271 I286 T290 I293V209-V288 HydrophobicContact CG1-CG2 4Å; L267-V288 HydrophobicContact CB-CG1 4.06Å; L267-V288 HydrophobicContact CD2-CG1 3.7Å; L267-V288 HydrophobicContact CG-CG1 4.46Å; N271-V288 HydrophobicContact CB-CB 3.89Å; N271-V288 HydrophobicContact CB-CG2 3.99Å; N271-V288 PolarHBondContact OD1-N 2.95Å; N271-V288 PolarHBondContact OD1-O 2.86Å; I286-V288 HydrophobicContact CG2-CG2 4.3Å; V288-T290 PolarHBondContact O-N 3.22Å; V288-I293 HydrophobicContact CB-CD1 4.49Å; V288-I293 HydrophobicContact CG1-CD1 3.94Å; V288-I293 HydrophobicContact CG1-CG1 4.16Å
289M90.2Very high87.7Confident4 Ų426 Ų262%0.0214%0.141CC..  trans-73.3126.4174.4-74.3-60.7-157.800110.7D291 E292 Y541 V560M289-D291 PolarHBondContact O-N 3.35Å; M289-E292 HydrophobicContact CB-CG 3.7Å; M289-E292 PolarHBondContact O-N 3.12Å; M289-Y541 HydrophobicContact CE-CD1 3.74Å; M289-Y541 HydrophobicContact CE-CD2 3.5Å; M289-Y541 VanDerWaalsContact CE-CD2 3.5Å; M289-Y541 HydrophobicContact CE-CE1 4.16Å; M289-Y541 HydrophobicContact CE-CE2 3.94Å; M289-Y541 HydrophobicContact CE-CG 3.37Å; M289-Y541 HydrophobicContact SD-CD1 4.19Å; M289-Y541 HydrophobicContact SD-CD2 4.39Å; M289-Y541 HydrophobicContact SD-CE1 4.05Å; M289-Y541 HydrophobicContact SD-CE2 4.26Å; M289-Y541 HydrophobicContact SD-CG 4.33Å; M289-V560 HydrophobicContact CE-CG1 4.37Å; M289-V560 HydrophobicContact CE-CG2 3.98Å
290T90.1Very high87.9Confident2 Ų217.2 Ų17.21%0.01211%0.107CC..Hα-helixtrans-68.3-24.5-178.331.80000113.4V288 E294 S564 K567 V614V288-T290 PolarHBondContact O-N 3.22Å; T290-E294 PolarHBondContact O-N 3.03Å; T290-S564 PolarHBondContact OG1-OG 2.99Å; T290-K567 WeakPolarHBondContact OG1-CE 3.35Å; T290-K567 PolarHBondContact OG1-NZ 3.17Å; T290-V614 HydrophobicContact CG2-CG2 3.8Å
291D88.2Confident88.2Confident13 Ų1321 Ų217%0.0711%0.11CC..Hα-helixtrans-70.8-36.6177.9-57.9-91.3000112.2M289 E294 Q295 G561 L562 L563 S564M289-D291 PolarHBondContact O-N 3.35Å; D291-E294 PolarHBondContact O-N 3.12Å; D291-Q295 WeakPolarHBondContact O-CG 3.15Å; D291-Q295 PolarHBondContact O-N 2.88Å; D291-G561 VanDerWaalsContact CG-C 3.48Å; D291-G561 WeakPolarHBondContact OD1-CA 3.32Å; D291-L562 PolarHBondContact OD1-N 2.78Å; D291-L562 VanDerWaalsContact OD1-N 3.16Å; D291-L563 WeakPolarHBondContact OD1-CB 3.38Å; D291-L563 WeakPolarHBondContact OD1-CG 3.43Å; D291-L563 PolarHBondContact OD1-N 2.93Å; D291-S564 VanDerWaalsContact OD2-CB 3.23Å; D291-S564 WeakPolarHBondContact OD2-CB 3.35Å; D291-S564 PolarHBondContact OD2-N 3.27Å; D291-S564 PolarHBondContact OD2-OG 3.08Å
292E86.8Confident88.1Confident9 Ų920.6 Ų20.64%0.04211%0.107CC..Hα-helixtrans-64.5-41.5175.9-51.6-70.8154.700110.6E213 H214 Y216 M289 E294 Q295 C296 R555E213-E292 HydrophobicContact CB-CB 4.39Å; E213-E292 HydrophobicContact CB-CG 4.37Å; E213-E292 HydrophobicContact CG-CG 4.5Å; H214-E292 IonicContact CE1-OE1 2.86Å; H214-E292 IonicContact CE1-OE2 3.46Å; H214-E292 PolarHBondContact CE1-OE2 3.08Å; H214-E292 IonicContact ND1-OE2 3.11Å; H214-E292 PolarHBondContact ND1-OE2 2.68Å; Y216-E292 WeakPolarHBondContact CE1-OE2 3.45Å; Y216-E292 PolarHBondContact OH-OE2 2.86Å; M289-E292 HydrophobicContact CB-CG 3.7Å; M289-E292 PolarHBondContact O-N 3.12Å; E292-E294 VanDerWaalsContact C-N 3.32Å; E292-E294 PolarHBondContact O-N 3.14Å; E292-Q295 PolarHBondContact O-N 3.37Å; E292-C296 PolarHBondContact O-N 2.85Å; E292-C296 VanDerWaalsContact O-N 3.16Å; E292-R555 IonicContact OE1-NH2 2.88Å; E292-R555 PolarHBondContact OE1-NH2 2.88Å
293I91.6Very high88.1Confident6 Ų617.7 Ų17.73%0.0319%0.088CC..Hα-helixtrans-58.9-41.4174.7-68.4169.9000111.5K264 L267 Q268 V288 D297K264-I293 HydrophobicContact CG-CG2 4.4Å; L267-I293 HydrophobicContact CB-CD1 4.32Å; L267-I293 HydrophobicContact CB-CG1 3.81Å; Q268-I293 HydrophobicContact CG-CD1 4.15Å; Q268-I293 HydrophobicContact CG-CG1 4.44Å; Q268-I293 HydrophobicContact CG-CG2 3.56Å; V288-I293 HydrophobicContact CB-CD1 4.49Å; V288-I293 HydrophobicContact CG1-CD1 3.94Å; V288-I293 HydrophobicContact CG1-CG1 4.16Å; I293-D297 PolarHBondContact O-N 2.98Å; I293-D297 VanDerWaalsContact O-N 3.14Å
294E87.3Confident88.4Confident8 Ų815 Ų154%0.0377%0.074CC..Hα-helixtrans-74.7-31.1177.4-178.365.6-17600112.6T290 D291 E292 C296 D297 A298 R301 L563 Y607 T611T290-E294 PolarHBondContact O-N 3.03Å; D291-E294 PolarHBondContact O-N 3.12Å; E292-E294 VanDerWaalsContact C-N 3.32Å; E292-E294 PolarHBondContact O-N 3.14Å; E294-C296 VanDerWaalsContact C-N 3.31Å; E294-C296 PolarHBondContact O-N 2.68Å; E294-D297 WeakPolarHBondContact O-CB 3.45Å; E294-D297 PolarHBondContact O-N 2.82Å; E294-D297 VanDerWaalsContact O-N 3.14Å; E294-A298 WeakPolarHBondContact O-CB 3.28Å; E294-A298 PolarHBondContact O-N 2.77Å; E294-R301 IonicContact OE1-CZ 3.46Å; E294-R301 IonicContact OE1-NH1 3.32Å; E294-R301 PolarHBondContact OE1-NH1 2.78Å; E294-R301 IonicContact OE1-NH2 3.81Å; E294-R301 PolarHBondContact OE1-NH2 2.83Å; E294-R301 VanDerWaalsContact OE1-NH2 3.09Å; E294-R301 IonicContact OE2-NH2 2.61Å; E294-R301 PolarHBondContact OE2-NH2 3.39Å; E294-L563 HydrophobicContact CB-CD1 3.94Å; E294-Y607 HydrophobicContact CG-CE2 4.12Å; E294-T611 HydrophobicContact CB-CG2 3.98Å; E294-T611 VanDerWaalsContact CD-CG2 3.43Å; E294-T611 HydrophobicContact CG-CG2 3.51Å; E294-T611 PolarHBondContact OE1-OG1 3.5Å
295Q83.7Confident88.5Confident42 Ų4217 Ų1720%0.1969%0.087CC..Hα-helixtrans-60.7-44.4172.3-63.3-48.4-42.700110.7Y216 D291 E292 D297 A298 V299Y216-Q295 HydrophobicContact CD1-CB 3.72Å; Y216-Q295 HydrophobicContact CD2-CB 3.77Å; Y216-Q295 HydrophobicContact CD2-CG 4.38Å; Y216-Q295 HydrophobicContact CE1-CB 3.55Å; Y216-Q295 HydrophobicContact CE1-CG 4.08Å; Y216-Q295 HydrophobicContact CE2-CB 3.56Å; Y216-Q295 HydrophobicContact CE2-CG 3.71Å; Y216-Q295 HydrophobicContact CG-CB 3.83Å; Y216-Q295 VanDerWaalsContact CZ-CB 3.47Å; D291-Q295 WeakPolarHBondContact O-CG 3.15Å; D291-Q295 PolarHBondContact O-N 2.88Å; E292-Q295 PolarHBondContact O-N 3.37Å; Q295-D297 VanDerWaalsContact C-N 3.32Å; Q295-D297 PolarHBondContact O-N 3.12Å; Q295-A298 PolarHBondContact O-N 3.28Å; Q295-V299 WeakPolarHBondContact O-CG2 3.44Å; Q295-V299 PolarHBondContact O-N 2.84Å
296C88.2Confident88.3Confident0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-59.2-39.8172.4-670000112.5I260 K264 E292 E294 V299 L300I260-C296 HydrophobicContact CG2-CB 3.92Å; K264-C296 HydrophobicContact CB-CB 3.87Å; K264-C296 HydrophobicContact CG-CB 4.12Å; E292-C296 PolarHBondContact O-N 2.85Å; E292-C296 VanDerWaalsContact O-N 3.16Å; E294-C296 VanDerWaalsContact C-N 3.31Å; E294-C296 PolarHBondContact O-N 2.68Å; C296-V299 PolarHBondContact O-N 3.48Å; C296-L300 WeakPolarHBondContact O-CG 3.37Å; C296-L300 PolarHBondContact O-N 3.41Å; C296-L300 VanDerWaalsContact O-N 3.1Å
297D88.8Confident88.1Confident7 Ų716.6 Ų16.64%0.0378%0.082CC..Hα-helixtrans-64.5-43.7174.8-150.83.8000112.5K264 I293 E294 Q295 V299 L300 R301K264-D297 HydrophobicContact CD-CB 4.21Å; K264-D297 IonicContact NZ-OD1 3.66Å; K264-D297 PolarHBondContact NZ-OD1 3.02Å; K264-D297 IonicContact NZ-OD2 3.29Å; K264-D297 PolarHBondContact NZ-OD2 3.41Å; I293-D297 PolarHBondContact O-N 2.98Å; I293-D297 VanDerWaalsContact O-N 3.14Å; E294-D297 WeakPolarHBondContact O-CB 3.45Å; E294-D297 PolarHBondContact O-N 2.82Å; E294-D297 VanDerWaalsContact O-N 3.14Å; Q295-D297 VanDerWaalsContact C-N 3.32Å; Q295-D297 PolarHBondContact O-N 3.12Å; D297-V299 VanDerWaalsContact C-N 3.26Å; D297-V299 PolarHBondContact O-N 2.96Å; D297-L300 PolarHBondContact O-N 3.24Å; D297-R301 VanDerWaalsContact CG-CZ 3.43Å; D297-R301 WeakPolarHBondContact O-CG 3.33Å; D297-R301 PolarHBondContact O-N 2.81Å; D297-R301 IonicContact OD1-CZ 2.8Å; D297-R301 IonicContact OD1-NE 3.15Å; D297-R301 IonicContact OD1-NH2 2.66Å; D297-R301 IonicContact OD2-CZ 3.31Å; D297-R301 IonicContact OD2-NE 3.69Å; D297-R301 IonicContact OD2-NH2 3.27Å; D297-R301 PolarHBondContact OD2-NH2 2.7Å
298A82.1Confident87.8Confident5 Ų515.9 Ų15.94%0.0418%0.078CC..Hα-helixtrans-62.5-31.8177.500000112.7E294 Q295 I893E294-A298 WeakPolarHBondContact O-CB 3.28Å; E294-A298 PolarHBondContact O-N 2.77Å; Q295-A298 PolarHBondContact O-N 3.28Å; A298-I893 HydrophobicContact CB-CD1 4.2Å
299V82.5Confident87.2Confident1 Ų117.1 Ų17.11%0.0068%0.083CC..Hα-helixtrans-69.9-50.4172.5-167.10000110.2Y216 L255 I260 Q295 C296 D297 R301 S302 L303 I893Y216-V299 HydrophobicContact CG-CG2 4.49Å; L255-V299 HydrophobicContact CD2-CG1 4.21Å; I260-V299 HydrophobicContact CD1-CB 4.39Å; I260-V299 HydrophobicContact CD1-CG1 3.67Å; I260-V299 HydrophobicContact CG2-CB 4.35Å; Q295-V299 WeakPolarHBondContact O-CG2 3.44Å; Q295-V299 PolarHBondContact O-N 2.84Å; C296-V299 PolarHBondContact O-N 3.48Å; D297-V299 VanDerWaalsContact C-N 3.26Å; D297-V299 PolarHBondContact O-N 2.96Å; V299-R301 VanDerWaalsContact C-N 3.33Å; V299-R301 PolarHBondContact O-N 3.09Å; V299-S302 CarbonylContact O-C 3.12Å; V299-S302 WeakPolarHBondContact O-CA 3.1Å; V299-S302 PolarHBondContact O-N 2.8Å; V299-S302 PolarHBondContact O-OG 2.9Å; V299-L303 HydrophobicContact CG1-CD1 3.74Å; V299-L303 HydrophobicContact CG1-CG 4.14Å; V299-L303 PolarHBondContact O-N 3.22Å; V299-I893 HydrophobicContact CG2-CB 3.68Å; V299-I893 HydrophobicContact CG2-CD1 4.32Å; V299-I893 HydrophobicContact CG2-CG1 4.37Å; V299-I893 HydrophobicContact CG2-CG2 3.99Å
300L89.1Confident86.9Confident0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-58.7-41.7-179.2-68.7167.1000112.3A257 I260 K264 C296 D297 S302 L303 L304 I320 Q333A257-L300 HydrophobicContact CB-CD2 4.35Å; I260-L300 HydrophobicContact CB-CD2 4.16Å; I260-L300 HydrophobicContact CG2-CD1 4.33Å; I260-L300 HydrophobicContact CG2-CD2 4.09Å; I260-L300 HydrophobicContact CG2-CG 3.89Å; K264-L300 HydrophobicContact CB-CD1 4.46Å; K264-L300 HydrophobicContact CD-CD1 3.74Å; C296-L300 WeakPolarHBondContact O-CG 3.37Å; C296-L300 PolarHBondContact O-N 3.41Å; C296-L300 VanDerWaalsContact O-N 3.1Å; D297-L300 PolarHBondContact O-N 3.24Å; L300-S302 PolarHBondContact O-N 2.84Å; L300-L303 PolarHBondContact O-N 2.75Å; L300-L304 HydrophobicContact CD2-CD1 4.46Å; L300-L304 PolarHBondContact O-N 2.61Å; L300-L304 VanDerWaalsContact O-N 3.13Å; L300-I320 HydrophobicContact CD2-CD1 3.96Å; L300-Q333 PolarHBondContact O-NE2 3.05Å
301R85.6Confident86.9Confident115 Ų11517.2 Ų17.243%0.4348%0.083SC..Hα-helixtrans-60.2-14173.1-69.4-173-150.2121.2-2.8114.3E294 D297 V299E294-R301 IonicContact OE1-CZ 3.46Å; E294-R301 IonicContact OE1-NH1 3.32Å; E294-R301 PolarHBondContact OE1-NH1 2.78Å; E294-R301 IonicContact OE1-NH2 3.81Å; E294-R301 PolarHBondContact OE1-NH2 2.83Å; E294-R301 VanDerWaalsContact OE1-NH2 3.09Å; E294-R301 IonicContact OE2-NH2 2.61Å; E294-R301 PolarHBondContact OE2-NH2 3.39Å; D297-R301 VanDerWaalsContact CG-CZ 3.43Å; D297-R301 WeakPolarHBondContact O-CG 3.33Å; D297-R301 PolarHBondContact O-N 2.81Å; D297-R301 IonicContact OD1-CZ 2.8Å; D297-R301 IonicContact OD1-NE 3.15Å; D297-R301 IonicContact OD1-NH2 2.66Å; D297-R301 IonicContact OD2-CZ 3.31Å; D297-R301 IonicContact OD2-NE 3.69Å; D297-R301 IonicContact OD2-NH2 3.27Å; D297-R301 PolarHBondContact OD2-NH2 2.7Å; V299-R301 VanDerWaalsContact C-N 3.33Å; V299-R301 PolarHBondContact O-N 3.09Å
302S81Confident87Confident34 Ų3417.4 Ų17.424%0.2388%0.083CC..Hα-helixtrans-112.2-12.3177.775.90000115V299 L300 I893V299-S302 CarbonylContact O-C 3.12Å; V299-S302 WeakPolarHBondContact O-CA 3.1Å; V299-S302 PolarHBondContact O-N 2.8Å; V299-S302 PolarHBondContact O-OG 2.9Å; L300-S302 PolarHBondContact O-N 2.84Å; S302-I893 PolarHBondContact OG-O 3.44Å
303L84.4Confident87.4Confident5 Ų517 Ų173%0.0268%0.082CC..Hα-helixtrans-92.9-58.9175.4-73.9176.7000111.4L255 A257 I260 V299 L300 R306 Q895L255-L303 HydrophobicContact CD2-CD1 4.26Å; L255-L303 HydrophobicContact CG-CD1 4.44Å; A257-L303 HydrophobicContact CB-CB 4.14Å; A257-L303 HydrophobicContact CB-CD1 3.8Å; I260-L303 HydrophobicContact CD1-CD1 3.5Å; I260-L303 VanDerWaalsContact CD1-CD1 3.5Å; V299-L303 HydrophobicContact CG1-CD1 3.74Å; V299-L303 HydrophobicContact CG1-CG 4.14Å; V299-L303 PolarHBondContact O-N 3.22Å; L300-L303 PolarHBondContact O-N 2.75Å; L303-R306 CarbonylContact C-O 3.59Å; L303-R306 WeakPolarHBondContact O-CA 3.39Å; L303-R306 WeakPolarHBondContact O-CB 3.21Å; L303-R306 PolarHBondContact O-N 2.91Å; L303-Q895 VanDerWaalsContact CD2-CD 3.45Å; L303-Q895 HydrophobicContact CD2-CG 4.05Å
304L90.5Very high87.6Confident12 Ų1216.8 Ų16.86%0.0638%0.08CC..THydrogen-bonded Turntrans-66.4134-166.4-48.6177000111.5A257 L300 L317 I320 I321 V328 Q333 T337A257-L304 HydrophobicContact CB-CD2 3.7Å; L300-L304 HydrophobicContact CD2-CD1 4.46Å; L300-L304 PolarHBondContact O-N 2.61Å; L300-L304 VanDerWaalsContact O-N 3.13Å; L304-L317 HydrophobicContact CD2-CD1 4.2Å; L304-L317 HydrophobicContact CD2-CD2 3.33Å; L304-L317 HydrophobicContact CD2-CG 4.39Å; L304-I320 HydrophobicContact CD1-CD1 4.39Å; L304-I320 HydrophobicContact CD2-CD1 4.25Å; L304-I321 HydrophobicContact CD1-CG2 4.33Å; L304-V328 HydrophobicContact CD1-CG2 3.38Å; L304-Q333 HydrophobicContact CB-CG 4.05Å; L304-Q333 PolarHBondContact O-NE2 3.32Å; L304-T337 HydrophobicContact CB-CG2 4.49Å
305P93Very high88.1Confident42 Ų4216.4 Ų16.427%0.2738%0.079SC..THydrogen-bonded Turncis-86.86.521.336.4-40.3000116.4T313 L317 T336 T337 T340P305-T313 WeakPolarHBondContact O-CB 3.25Å; P305-T313 PolarHBondContact O-OG1 2.87Å; P305-L317 WeakPolarHBondContact O-CD1 3.44Å; P305-T336 HydrophobicContact CG-CG2 4.43Å; P305-T337 HydrophobicContact CB-CG2 4.41Å; P305-T340 HydrophobicContact CB-CG2 4.02Å; P305-T340 HydrophobicContact CG-CG2 4.3Å
306R90.2Very high88.7Confident24 Ų2414.5 Ų14.59%0.0917%0.071CC..  trans-80.1143.8179.3-146.2-179.178.4-137.55.3111.8L303 S308 K311 E312 Y1170L303-R306 CarbonylContact C-O 3.59Å; L303-R306 WeakPolarHBondContact O-CA 3.39Å; L303-R306 WeakPolarHBondContact O-CB 3.21Å; L303-R306 PolarHBondContact O-N 2.91Å; R306-S308 WeakPolarHBondContact CD-O 3.45Å; R306-S308 PolarHBondContact NE-O 2.99Å; R306-K311 WeakPolarHBondContact CG-O 3.46Å; R306-E312 WeakPolarHBondContact CA-O 3.44Å; R306-Y1170 VanDerWaalsContact NH1-CD2 3.3Å
307E90.8Very high89.1Confident2 Ų214.5 Ų14.51%0.0097%0.071CC..  trans-89.3-50.3175.4175.558.4-15900112N256 A257 T258 K311 D314 L317N256-E307 VanDerWaalsContact C-OE1 3.31Å; N256-E307 WeakPolarHBondContact CA-OE1 3.34Å; N256-E307 VanDerWaalsContact CB-OE1 3.24Å; N256-E307 WeakPolarHBondContact CB-OE1 3.32Å; A257-E307 WeakPolarHBondContact CB-O 3.25Å; A257-E307 WeakPolarHBondContact CB-OE2 3.46Å; A257-E307 PolarHBondContact N-O 3.28Å; A257-E307 PolarHBondContact N-OE1 2.84Å; T258-E307 WeakPolarHBondContact CB-OE1 3.41Å; T258-E307 PolarHBondContact N-OE1 3.47Å; T258-E307 PolarHBondContact N-OE2 3.41Å; T258-E307 VanDerWaalsContact N-OE2 3.13Å; T258-E307 PolarHBondContact OG1-OE1 2.85Å; E307-K311 HydrophobicContact CB-CB 4.06Å; E307-K311 HydrophobicContact CG-CB 4.45Å; E307-K311 HydrophobicContact CG-CD 4.13Å; E307-K311 PolarHBondContact N-O 3.18Å; E307-D314 HydrophobicContact CB-CB 3.55Å; E307-D314 HydrophobicContact CG-CB 3.65Å; E307-L317 WeakPolarHBondContact OE2-CD2 2.95Å; E307-L317 WeakPolarHBondContact OE2-CG 3.31Å
308S86.6Confident89.5Confident0 Ų014.2 Ų14.20%07%0.069CC..SBendtrans-147-167.8-173.181.10000112.6E254 L255 R306 S310 K311E254-S308 PolarHBondContact OE1-OG 3.41Å; E254-S308 VanDerWaalsContact OE2-CB 3.26Å; E254-S308 WeakPolarHBondContact OE2-CB 3.45Å; E254-S308 PolarHBondContact OE2-OG 3.2Å; L255-S308 WeakPolarHBondContact O-CA 3.33Å; R306-S308 WeakPolarHBondContact CD-O 3.45Å; R306-S308 PolarHBondContact NE-O 2.99Å; S308-S310 PolarHBondContact OG-N 2.68Å; S308-K311 PolarHBondContact N-O 3.3Å; S308-K311 WeakPolarHBondContact OG-CB 3.36Å; S308-K311 WeakPolarHBondContact OG-CG 3.05Å; S308-K311 PolarHBondContact OG-N 2.99Å; S308-K311 PolarHBondContact OG-NZ 3.23Å
309Y80.8Confident90.2Very high28 Ų2814 Ų1411%0.117%0.068CC..SBendtrans-71.1-37.4173.5-79.6-75.7000112.5E254 Y1170 K1171 L1174E254-Y309 WeakPolarHBondContact OE1-CB 3.35Å; E254-Y309 PolarHBondContact OE1-N 3.46Å; Y309-Y1170 AromaticContact CD1-CD1 3.57Å; Y309-Y1170 HydrophobicContact CD1-CD1 3.57Å; Y309-Y1170 HydrophobicContact CD1-CE1 4.37Å; Y309-Y1170 HydrophobicContact CD1-CG 4.22Å; Y309-Y1170 AromaticContact CE1-CD1 3.47Å; Y309-Y1170 HydrophobicContact CE1-CD1 3.47Å; Y309-Y1170 VanDerWaalsContact CE1-CD1 3.47Å; Y309-Y1170 AromaticContact CE1-CE1 3.81Å; Y309-Y1170 HydrophobicContact CE1-CE1 3.81Å; Y309-Y1170 HydrophobicContact CE1-CG 4.4Å; Y309-Y1170 PolarHBondContact O-N 2.9Å; Y309-K1171 PolarHBondContact O-N 2.91Å; Y309-K1171 VanDerWaalsContact O-N 3.07Å; Y309-L1174 HydrophobicContact CD1-CD1 4.11Å; Y309-L1174 HydrophobicContact CE1-CD1 4.07Å
310S84.1Confident90.9Very high0 Ų014 Ų140%07%0.067CC..SBendtrans-97.5-8.5-179.378.70000115.4K247 E254 S308 E1169K247-S310 WeakPolarHBondContact CD-O 3.31Å; K247-S310 PolarHBondContact N-OG 2.79Å; K247-S310 VanDerWaalsContact N-OG 3.07Å; E254-S310 VanDerWaalsContact CD-OG 3.28Å; E254-S310 WeakPolarHBondContact OE1-CB 3.22Å; E254-S310 PolarHBondContact OE1-N 3.43Å; E254-S310 PolarHBondContact OE1-OG 2.82Å; E254-S310 PolarHBondContact OE2-OG 2.95Å; S308-S310 PolarHBondContact OG-N 2.68Å; S310-E1169 VanDerWaalsContact O-CG 3.31Å; S310-E1169 WeakPolarHBondContact O-CG 3.48Å
311K88.9Confident91.3Very high9 Ų914.3 Ų14.34%0.0397%0.069CC..  trans-116.4105.9-179.9-55178.2-159.479.70110.2G245 E254 N256 R306 E307 S308 T313 F354G245-K311 WeakPolarHBondContact O-CE 3.31Å; G245-K311 PolarHBondContact O-NZ 3.02Å; E254-K311 IonicContact OE2-NZ 3.45Å; E254-K311 PolarHBondContact OE2-NZ 3.26Å; N256-K311 PolarHBondContact OD1-NZ 3.18Å; N256-K311 VanDerWaalsContact OD1-NZ 3.08Å; R306-K311 WeakPolarHBondContact CG-O 3.46Å; E307-K311 HydrophobicContact CB-CB 4.06Å; E307-K311 HydrophobicContact CG-CB 4.45Å; E307-K311 HydrophobicContact CG-CD 4.13Å; E307-K311 PolarHBondContact N-O 3.18Å; S308-K311 PolarHBondContact N-O 3.3Å; S308-K311 WeakPolarHBondContact OG-CB 3.36Å; S308-K311 WeakPolarHBondContact OG-CG 3.05Å; S308-K311 PolarHBondContact OG-N 2.99Å; S308-K311 PolarHBondContact OG-NZ 3.23Å; K311-T313 PolarHBondContact O-N 2.96Å; K311-F354 HydrophobicContact CD-CD1 4.19Å; K311-F354 HydrophobicContact CD-CG 4.29Å; K311-F354 HydrophobicContact CG-CG 4.42Å
312E91Very high91.8Very high16 Ų169 Ų98%0.0755%0.049CC..SBendtrans-67.5-21.3-17763.7155.7-135.100114.1R306 K344 L355 T1166 G1168 E1169R306-E312 WeakPolarHBondContact CA-O 3.44Å; E312-K344 WeakPolarHBondContact OE1-CD 3.02Å; E312-K344 WeakPolarHBondContact OE1-CE 3.38Å; E312-K344 IonicContact OE1-NZ 2.79Å; E312-K344 PolarHBondContact OE1-NZ 3.36Å; E312-K344 IonicContact OE2-NZ 3.69Å; E312-L355 HydrophobicContact CG-CD1 4.38Å; E312-L355 WeakPolarHBondContact OE1-CD1 3.44Å; E312-T1166 WeakPolarHBondContact CG-OG1 3.26Å; E312-T1166 PolarHBondContact OE2-OG1 3.2Å; E312-G1168 WeakPolarHBondContact OE2-CA 3.49Å; E312-G1168 PolarHBondContact OE2-N 3.07Å; E312-E1169 HydrophobicContact CB-CG 4.35Å
313T94.6Very high92.5Very high1 Ų17.7 Ų7.71%0.0064%0.039CC..  trans-164.6164.6163.8-1620000108.5P305 K311 T340 K344 L345P305-T313 WeakPolarHBondContact O-CB 3.25Å; P305-T313 PolarHBondContact O-OG1 2.87Å; K311-T313 PolarHBondContact O-N 2.96Å; T313-T340 HydrophobicContact CG2-CG2 4.15Å; T313-K344 HydrophobicContact CG2-CB 4.44Å; T313-K344 HydrophobicContact CG2-CD 4.19Å; T313-L345 HydrophobicContact CG2-CD1 3.96Å; T313-L345 HydrophobicContact CG2-CD2 4.42Å; T313-L345 HydrophobicContact CG2-CG 4.08Å
314D96.1Very high93Very high1 Ų17.8 Ų7.81%0.0054%0.04CC..  trans-146.9139.3179.5-168.6-63.9000109.9W242 E307 G316 L317 R353 F354W242-D314 PolarHBondContact NE1-OD1 2.93Å; W242-D314 VanDerWaalsContact NE1-OD1 3.14Å; W242-D314 PolarHBondContact NE1-OD2 2.83Å; E307-D314 HydrophobicContact CB-CB 3.55Å; E307-D314 HydrophobicContact CG-CB 3.65Å; D314-G316 PolarHBondContact O-N 2.81Å; D314-G316 WeakPolarHBondContact OD1-CA 3.2Å; D314-G316 PolarHBondContact OD1-N 3.19Å; D314-L317 WeakPolarHBondContact O-CB 3.5Å; D314-L317 WeakPolarHBondContact O-CD1 3.41Å; D314-L317 VanDerWaalsContact O-CG 3.26Å; D314-L317 WeakPolarHBondContact O-CG 3.25Å; D314-L317 PolarHBondContact O-N 2.92Å; D314-R353 CarbonylContact C-O 3.49Å; D314-R353 VanDerWaalsContact CA-O 3.28Å; D314-R353 WeakPolarHBondContact CA-O 3.25Å; D314-R353 VanDerWaalsContact CG-O 3.29Å; D314-F354 WeakPolarHBondContact OD2-CD1 3.49Å
315A97.4Very high93.3Very high0 Ų07.2 Ų7.20%04%0.037CC..G310 helixtrans-70.7-19.8-178.800000113L317 L318 I341 L345 C351 R352 R353 F389A315-L317 PolarHBondContact O-N 2.65Å; A315-L318 WeakPolarHBondContact O-CB 3.27Å; A315-L318 VanDerWaalsContact O-CG 3.3Å; A315-L318 WeakPolarHBondContact O-CG 3.22Å; A315-L318 PolarHBondContact O-N 3.03Å; A315-L318 VanDerWaalsContact O-N 3.12Å; A315-I341 HydrophobicContact CB-CG2 4.12Å; A315-L345 HydrophobicContact CB-CD1 3.89Å; A315-L345 VanDerWaalsContact N-CD1 3.31Å; A315-C351 HydrophobicContact CB-CB 4.1Å; A315-R352 WeakPolarHBondContact CB-O 3.43Å; A315-R353 PolarHBondContact N-O 2.84Å; A315-F389 VanDerWaalsContact C-CE1 3.42Å; A315-F389 HydrophobicContact CB-CB 4.49Å; A315-F389 HydrophobicContact CB-CD1 3.6Å; A315-F389 HydrophobicContact CB-CD2 3.74Å; A315-F389 HydrophobicContact CB-CE1 3.61Å; A315-F389 HydrophobicContact CB-CE2 3.72Å; A315-F389 HydrophobicContact CB-CG 3.66Å; A315-F389 HydrophobicContact CB-CZ 3.66Å; A315-F389 WeakPolarHBondContact O-CD1 3.2Å; A315-F389 WeakPolarHBondContact O-CE1 3.49Å
316G96.2Very high93.5Very high3 Ų35.9 Ų5.93%0.0313%0.027CC..G310 helixtrans-58.1-23.1170.200000113.6T258 D314 L318 S319T258-G316 VanDerWaalsContact CG2-C 3.44Å; D314-G316 PolarHBondContact O-N 2.81Å; D314-G316 WeakPolarHBondContact OD1-CA 3.2Å; D314-G316 PolarHBondContact OD1-N 3.19Å; G316-L318 PolarHBondContact O-N 2.97Å; G316-L318 VanDerWaalsContact O-N 3.12Å; G316-S319 WeakPolarHBondContact O-CB 3.09Å; G316-S319 PolarHBondContact O-N 3.25Å; G316-S319 PolarHBondContact O-OG 2.84Å
317L97.9Very high93.7Very high0 Ų04.8 Ų4.80%02%0.023CC..G310 helixtrans-56.4-24.9173.2-73.2175.4000113.7A257 T258 L304 P305 E307 D314 A315 S319 I320 I321 T337 I341A257-L317 HydrophobicContact CB-CD2 3.96Å; T258-L317 HydrophobicContact CG2-CD2 4.38Å; L304-L317 HydrophobicContact CD2-CD1 4.2Å; L304-L317 HydrophobicContact CD2-CD2 3.33Å; L304-L317 HydrophobicContact CD2-CG 4.39Å; P305-L317 WeakPolarHBondContact O-CD1 3.44Å; E307-L317 WeakPolarHBondContact OE2-CD2 2.95Å; E307-L317 WeakPolarHBondContact OE2-CG 3.31Å; D314-L317 WeakPolarHBondContact O-CB 3.5Å; D314-L317 WeakPolarHBondContact O-CD1 3.41Å; D314-L317 VanDerWaalsContact O-CG 3.26Å; D314-L317 WeakPolarHBondContact O-CG 3.25Å; D314-L317 PolarHBondContact O-N 2.92Å; A315-L317 PolarHBondContact O-N 2.65Å; L317-S319 PolarHBondContact O-N 2.91Å; L317-I320 HydrophobicContact CD2-CD1 3.81Å; L317-I320 HydrophobicContact CD2-CG1 4.14Å; L317-I320 VanDerWaalsContact O-CG1 3.23Å; L317-I320 WeakPolarHBondContact O-CG1 3.43Å; L317-I320 PolarHBondContact O-N 3.45Å; L317-I321 PolarHBondContact O-N 2.85Å; L317-I321 VanDerWaalsContact O-N 3.08Å; L317-T337 HydrophobicContact CB-CG2 4.25Å; L317-T337 HydrophobicContact CD1-CG2 3.98Å; L317-I341 HydrophobicContact CB-CD1 3.68Å; L317-I341 HydrophobicContact CD1-CD1 4.47Å
318L97.6Very high93.9Very high1 Ų14.8 Ų4.81%0.0052%0.023CC..Hα-helixtrans-55.1-35.1173.4-67.6172.1000112.1A315 G316 I320 I321 S322 I341 F389 Y392 L393A315-L318 WeakPolarHBondContact O-CB 3.27Å; A315-L318 VanDerWaalsContact O-CG 3.3Å; A315-L318 WeakPolarHBondContact O-CG 3.22Å; A315-L318 PolarHBondContact O-N 3.03Å; A315-L318 VanDerWaalsContact O-N 3.12Å; G316-L318 PolarHBondContact O-N 2.97Å; G316-L318 VanDerWaalsContact O-N 3.12Å; L318-I320 PolarHBondContact O-N 3.01Å; L318-I321 HydrophobicContact CD2-CD1 4.29Å; L318-S322 WeakPolarHBondContact O-CB 3.33Å; L318-S322 PolarHBondContact O-N 3.28Å; L318-S322 VanDerWaalsContact O-N 3.16Å; L318-I341 HydrophobicContact CD1-CG2 4.35Å; L318-I341 HydrophobicContact CD2-CD1 4.07Å; L318-I341 HydrophobicContact CG-CD1 4.13Å; L318-I341 HydrophobicContact CG-CG2 4.34Å; L318-F389 HydrophobicContact CD1-CB 4.04Å; L318-F389 HydrophobicContact CD1-CD1 4.11Å; L318-F389 HydrophobicContact CD1-CG 4.48Å; L318-Y392 HydrophobicContact CB-CD1 4.39Å; L318-Y392 HydrophobicContact CB-CG 4.14Å; L318-L393 HydrophobicContact CD1-CD1 4.38Å; L318-L393 HydrophobicContact CD1-CD2 4.24Å; L318-L393 HydrophobicContact CD1-CG 3.91Å; L318-L393 HydrophobicContact CD2-CD2 3.82Å; L318-L393 HydrophobicContact CD2-CG 4.39Å
319S96.8Very high94Very high1 Ų15.7 Ų5.71%0.0073%0.032CC..Hα-helixtrans-66.5-19.3178.570.90000114.3G316 L317 P324 A325G316-S319 WeakPolarHBondContact O-CB 3.09Å; G316-S319 PolarHBondContact O-N 3.25Å; G316-S319 PolarHBondContact O-OG 2.84Å; L317-S319 PolarHBondContact O-N 2.91Å; S319-P324 WeakPolarHBondContact O-CD 3.33Å; S319-A325 VanDerWaalsContact O-CB 3.27Å; S319-A325 WeakPolarHBondContact O-CB 3.4Å; S319-A325 PolarHBondContact O-N 3.15Å
320I97.2Very high94.5Very high0 Ų07.7 Ų7.70%05%0.045CC..Hα-helixtrans-108.6-27.2-17968.1160.1000114.6A257 T258 M262 L300 L304 L317 L318 S322 A325 A327A257-I320 WeakPolarHBondContact O-CD1 3.48Å; T258-I320 WeakPolarHBondContact O-CG2 3.5Å; M262-I320 HydrophobicContact CE-CG2 4.23Å; L300-I320 HydrophobicContact CD2-CD1 3.96Å; L304-I320 HydrophobicContact CD1-CD1 4.39Å; L304-I320 HydrophobicContact CD2-CD1 4.25Å; L317-I320 HydrophobicContact CD2-CD1 3.81Å; L317-I320 HydrophobicContact CD2-CG1 4.14Å; L317-I320 VanDerWaalsContact O-CG1 3.23Å; L317-I320 WeakPolarHBondContact O-CG1 3.43Å; L317-I320 PolarHBondContact O-N 3.45Å; L318-I320 PolarHBondContact O-N 3.01Å; I320-S322 VanDerWaalsContact C-N 3.32Å; I320-A325 HydrophobicContact CB-CB 4.47Å; I320-A325 HydrophobicContact CG2-CB 4.32Å; I320-A327 HydrophobicContact CB-CB 4.28Å; I320-A327 WeakPolarHBondContact O-CB 3.39Å; I320-A327 PolarHBondContact O-N 2.86Å
321I96.7Very high94.9Very high6 Ų611.2 Ų11.23%0.0317%0.068CC..Hα-helixtrans-83.8-11.8172.572.3175.1000112.8L304 L317 L318 V328 I334 T337 R338L304-I321 HydrophobicContact CD1-CG2 4.33Å; L317-I321 PolarHBondContact O-N 2.85Å; L317-I321 VanDerWaalsContact O-N 3.08Å; L318-I321 HydrophobicContact CD2-CD1 4.29Å; I321-V328 HydrophobicContact CG2-CG2 4.01Å; I321-I334 HydrophobicContact CB-CG1 4.44Å; I321-I334 HydrophobicContact CB-CG2 4.38Å; I321-T337 HydrophobicContact CD1-CG2 4.16Å; I321-T337 HydrophobicContact CG2-CG2 3.93Å; I321-R338 HydrophobicContact CD1-CB 3.85Å
322S95.4Very high95.1Very high3 Ų313.6 Ų13.62%0.0219%0.089CC..SBendtrans-141.3-154.2-178.2-157.90000110.7L318 I320 A325 F326 D396L318-S322 WeakPolarHBondContact O-CB 3.33Å; L318-S322 PolarHBondContact O-N 3.28Å; L318-S322 VanDerWaalsContact O-N 3.16Å; I320-S322 VanDerWaalsContact C-N 3.32Å; S322-A325 PolarHBondContact O-N 2.94Å; S322-A325 VanDerWaalsContact O-N 3.13Å; S322-F326 PolarHBondContact O-N 3.05Å; S322-D396 WeakPolarHBondContact CB-OD1 3.35Å; S322-D396 WeakPolarHBondContact OG-CB 3.45Å; S322-D396 PolarHBondContact OG-OD1 2.83Å
323Y95.7Very high95.2Very high8 Ų813.8 Ų13.83%0.0319%0.09CC..THydrogen-bonded Turntrans-59.6136.8174.4-173.6-92.9000111.4H54 F326 Y392 I395 F399 L464 L467 M481H54-Y323 AromaticContact ND1-CE1 3.76Å; H54-Y323 AromaticContact ND1-CZ 3.96Å; H54-Y323 PolarHBondContact ND1-OH 2.98Å; Y323-F326 HydrophobicContact CD2-CE2 4.05Å; Y323-F326 HydrophobicContact CD2-CZ 4.26Å; Y323-Y392 VanDerWaalsContact O-CE1 3.31Å; Y323-Y392 WeakPolarHBondContact O-CE1 3.46Å; Y323-I395 HydrophobicContact CD1-CG2 4.27Å; Y323-I395 HydrophobicContact CG-CG2 4.01Å; Y323-F399 AromaticContact CD2-CE2 3.65Å; Y323-F399 HydrophobicContact CD2-CE2 3.65Å; Y323-F399 AromaticContact CD2-CZ 3.73Å; Y323-F399 HydrophobicContact CD2-CZ 3.73Å; Y323-F399 HydrophobicContact CE2-CZ 4.46Å; Y323-F399 AromaticContact CG-CE2 3.95Å; Y323-F399 HydrophobicContact CG-CE2 3.95Å; Y323-F399 HydrophobicContact CG-CZ 4.47Å; Y323-L464 HydrophobicContact CD1-CD2 4.33Å; Y323-L464 HydrophobicContact CE1-CD2 4.07Å; Y323-L467 HydrophobicContact CD1-CD2 4.35Å; Y323-L467 HydrophobicContact CE1-CD2 3.55Å; Y323-M481 HydrophobicContact CE2-CB 4.39Å; Y323-M481 WeakPolarHBondContact OH-CE 3.34Å
324P96.1Very high95.3Very high6 Ų614.4 Ų14.44%0.0399%0.093CC..THydrogen-bonded Turncis-89.6-17.42.534.3-36000114.9Y51 I180 L183 M262 S319Y51-P324 HydrophobicContact CE1-CG 4Å; I180-P324 HydrophobicContact CD1-CB 4.1Å; I180-P324 HydrophobicContact CD1-CG 3.44Å; I180-P324 VanDerWaalsContact CD1-CG 3.44Å; L183-P324 HydrophobicContact CD2-CB 4.28Å; L183-P324 HydrophobicContact CD2-CG 4.45Å; M262-P324 HydrophobicContact CE-CG 4.32Å; M262-P324 HydrophobicContact SD-CG 4.45Å; S319-P324 WeakPolarHBondContact O-CD 3.33Å
325A96.9Very high95.2Very high0 Ų017.3 Ų17.30%011%0.114CC..THydrogen-bonded Turntrans-84.2-36.3-161.800000114.6L183 M262 A265 S319 I320 S322 A327 R486L183-A325 HydrophobicContact CD2-CB 4.17Å; M262-A325 HydrophobicContact CE-CB 4.19Å; M262-A325 HydrophobicContact SD-CB 3.78Å; A265-A325 HydrophobicContact CB-CB 3.61Å; A265-A325 WeakPolarHBondContact CB-O 3.27Å; S319-A325 VanDerWaalsContact O-CB 3.27Å; S319-A325 WeakPolarHBondContact O-CB 3.4Å; S319-A325 PolarHBondContact O-N 3.15Å; I320-A325 HydrophobicContact CB-CB 4.47Å; I320-A325 HydrophobicContact CG2-CB 4.32Å; S322-A325 PolarHBondContact O-N 2.94Å; S322-A325 VanDerWaalsContact O-N 3.13Å; A325-A327 HydrophobicContact CB-CB 4.25Å; A325-A327 PolarHBondContact O-N 3.06Å; A325-A327 VanDerWaalsContact O-N 3.12Å; A325-R486 VanDerWaalsContact O-CZ 3.23Å; A325-R486 PolarHBondContact O-NE 3.07Å; A325-R486 PolarHBondContact O-NH2 3.27Å
326F96.3Very high95.2Very high14 Ų1420.9 Ų20.96%0.06114%0.135CC..  trans43.942.5-172.8-54.6-79.4000112.7S322 Y323 F399 R486 R487 S489S322-F326 PolarHBondContact O-N 3.05Å; Y323-F326 HydrophobicContact CD2-CE2 4.05Å; Y323-F326 HydrophobicContact CD2-CZ 4.26Å; F326-F399 HydrophobicContact CE1-CB 4.38Å; F326-F399 HydrophobicContact CE1-CD1 4.07Å; F326-F399 HydrophobicContact CE1-CG 4.08Å; F326-F399 HydrophobicContact CE2-CE1 4.23Å; F326-F399 HydrophobicContact CE2-CZ 4.34Å; F326-F399 AromaticContact CZ-CD1 3.6Å; F326-F399 HydrophobicContact CZ-CD1 3.6Å; F326-F399 AromaticContact CZ-CD2 3.97Å; F326-F399 HydrophobicContact CZ-CD2 3.97Å; F326-F399 AromaticContact CZ-CE1 3.62Å; F326-F399 HydrophobicContact CZ-CE1 3.62Å; F326-F399 AromaticContact CZ-CE2 3.98Å; F326-F399 HydrophobicContact CZ-CE2 3.98Å; F326-F399 AromaticContact CZ-CG 3.79Å; F326-F399 HydrophobicContact CZ-CG 3.79Å; F326-F399 AromaticContact CZ-CZ 3.82Å; F326-F399 HydrophobicContact CZ-CZ 3.82Å; F326-R486 HydrophobicContact CB-CB 4.08Å; F326-R486 WeakPolarHBondContact CB-O 3.36Å; F326-R486 HydrophobicContact CD2-CB 4.01Å; F326-R486 HydrophobicContact CG-CB 4.45Å; F326-R487 HydrophobicContact CD1-CB 3.94Å; F326-R487 HydrophobicContact CD2-CB 4.27Å; F326-R487 HydrophobicContact CE1-CB 3.82Å; F326-R487 HydrophobicContact CE2-CB 4.14Å; F326-R487 HydrophobicContact CG-CB 4.16Å; F326-R487 HydrophobicContact CZ-CB 3.93Å; F326-S489 PolarHBondContact O-OG 3.47Å
327A95.5Very high95.3Very high1 Ų120.7 Ų20.71%0.00813%0.134CC..  trans-76.2-31.9-166.300000112.7G261 K264 A265 I320 A325G261-A327 WeakPolarHBondContact O-CB 3.47Å; K264-A327 WeakPolarHBondContact CE-O 3.42Å; K264-A327 PolarHBondContact NZ-O 3.3Å; A265-A327 HydrophobicContact CB-CB 4.39Å; I320-A327 HydrophobicContact CB-CB 4.28Å; I320-A327 WeakPolarHBondContact O-CB 3.39Å; I320-A327 PolarHBondContact O-N 2.86Å; A325-A327 HydrophobicContact CB-CB 4.25Å; A325-A327 PolarHBondContact O-N 3.06Å; A325-A327 VanDerWaalsContact O-N 3.12Å
328V94.2Very high95.2Very high2 Ų222.2 Ų22.21%0.01214%0.14CC..  trans-82.5138.6177.1-171.20000109.4L304 I321 Q333 I334 S489L304-V328 HydrophobicContact CD1-CG2 3.38Å; I321-V328 HydrophobicContact CG2-CG2 4.01Å; V328-Q333 HydrophobicContact CG1-CB 4.34Å; V328-I334 HydrophobicContact CB-CD1 4.14Å; V328-I334 HydrophobicContact CB-CG1 3.72Å; V328-I334 HydrophobicContact CG1-CD1 4.21Å; V328-I334 HydrophobicContact CG1-CG1 3.65Å; V328-S489 PolarHBondContact O-OG 2.77Å
329G88.9Confident95.2Very high19 Ų1926.2 Ų26.220%0.19616%0.164CC..  trans-110.8-5.9179.400000115.2P331G329-P331 WeakPolarHBondContact O-CD 3.36Å
330D90.4Very high95.2Very high70 Ų7027.4 Ų27.437%0.37417%0.171SC..  trans-94115.5176.5171.726.5000111.1A332 Q333 I334D330-A332 PolarHBondContact O-N 3.19Å; D330-A332 WeakPolarHBondContact OD1-CB 3.25Å; D330-A332 PolarHBondContact OD1-N 2.93Å; D330-Q333 HydrophobicContact CB-CB 4.13Å; D330-Q333 PolarHBondContact O-N 2.99Å; D330-Q333 VanDerWaalsContact OD2-CB 3.31Å; D330-Q333 WeakPolarHBondContact OD2-CB 3.29Å; D330-Q333 PolarHBondContact OD2-N 3.17Å; D330-I334 WeakPolarHBondContact O-CB 3.28Å; D330-I334 WeakPolarHBondContact O-CD1 3.48Å; D330-I334 VanDerWaalsContact O-CG1 3.25Å; D330-I334 WeakPolarHBondContact O-CG1 3.4Å; D330-I334 PolarHBondContact O-N 3.15Å
331P92.1Very high95.2Very high74 Ų7427.4 Ų27.448%0.48117%0.171SC..Hα-helixtrans-57.3-32.1175.1-24.234.7000113.9G329 S335 T490G329-P331 WeakPolarHBondContact O-CD 3.36Å; P331-S335 VanDerWaalsContact O-CB 3.29Å; P331-S335 WeakPolarHBondContact O-CB 3.37Å; P331-S335 PolarHBondContact O-N 3.39Å; P331-T490 HydrophobicContact CG-CG2 4.43Å
332A94.1Very high95.3Very high59 Ų5929.2 Ų29.249%0.48818%0.182SC..Hα-helixtrans-71-46.5-179.200000111.5D330 S335 T336D330-A332 PolarHBondContact O-N 3.19Å; D330-A332 WeakPolarHBondContact OD1-CB 3.25Å; D330-A332 PolarHBondContact OD1-N 2.93Å; A332-S335 PolarHBondContact O-N 3.09Å; A332-T336 WeakPolarHBondContact O-CB 3.45Å; A332-T336 PolarHBondContact O-N 3.05Å; A332-T336 PolarHBondContact O-OG1 3.47Å
333Q93.2Very high95.3Very high20 Ų2035.4 Ų35.49%0.09322%0.215CC..Hα-helixtrans-64.6-39.8173.7-162.8177.532.700112.2L300 L304 V328 D330 T337L300-Q333 PolarHBondContact O-NE2 3.05Å; L304-Q333 HydrophobicContact CB-CG 4.05Å; L304-Q333 PolarHBondContact O-NE2 3.32Å; V328-Q333 HydrophobicContact CG1-CB 4.34Å; D330-Q333 HydrophobicContact CB-CB 4.13Å; D330-Q333 PolarHBondContact O-N 2.99Å; D330-Q333 VanDerWaalsContact OD2-CB 3.31Å; D330-Q333 WeakPolarHBondContact OD2-CB 3.29Å; D330-Q333 PolarHBondContact OD2-N 3.17Å; Q333-T337 VanDerWaalsContact O-CB 3.3Å; Q333-T337 WeakPolarHBondContact O-CB 3.14Å; Q333-T337 PolarHBondContact O-N 3.44Å; Q333-T337 PolarHBondContact O-OG1 3.25Å
334I95.8Very high95.2Very high14 Ų1438 Ų387%0.07223%0.227CC..Hα-helixtrans-60-46.1174.3-70.4163.7000111.1I321 V328 D330 T337 R338 T490I321-I334 HydrophobicContact CB-CG1 4.44Å; I321-I334 HydrophobicContact CB-CG2 4.38Å; V328-I334 HydrophobicContact CB-CD1 4.14Å; V328-I334 HydrophobicContact CB-CG1 3.72Å; V328-I334 HydrophobicContact CG1-CD1 4.21Å; V328-I334 HydrophobicContact CG1-CG1 3.65Å; D330-I334 WeakPolarHBondContact O-CB 3.28Å; D330-I334 WeakPolarHBondContact O-CD1 3.48Å; D330-I334 VanDerWaalsContact O-CG1 3.25Å; D330-I334 WeakPolarHBondContact O-CG1 3.4Å; D330-I334 PolarHBondContact O-N 3.15Å; I334-T337 PolarHBondContact O-N 3.48Å; I334-R338 WeakPolarHBondContact O-CB 3.49Å; I334-R338 PolarHBondContact O-N 3.12Å; I334-T490 HydrophobicContact CD1-CG2 3.4Å; I334-T490 VanDerWaalsContact CD1-CG2 3.4Å
335S95.9Very high95.3Very high62 Ų6237.8 Ų37.843%0.43423%0.225SC..Hα-helixtrans-62.4-52.3178.4-168.60000111.4P331 A332 T337 R338 V339P331-S335 VanDerWaalsContact O-CB 3.29Å; P331-S335 WeakPolarHBondContact O-CB 3.37Å; P331-S335 PolarHBondContact O-N 3.39Å; A332-S335 PolarHBondContact O-N 3.09Å; S335-T337 VanDerWaalsContact C-N 3.29Å; S335-T337 PolarHBondContact O-N 3.04Å; S335-R338 PolarHBondContact O-N 3.46Å; S335-V339 WeakPolarHBondContact O-CG2 3.36Å; S335-V339 PolarHBondContact O-N 2.96Å
336T96.8Very high95.2Very high75 Ų7540.2 Ų40.246%0.4624%0.236SC..Hα-helixtrans-56.2-42.2177.8-57.70000112P305 A332 T340P305-T336 HydrophobicContact CG-CG2 4.43Å; A332-T336 WeakPolarHBondContact O-CB 3.45Å; A332-T336 PolarHBondContact O-N 3.05Å; A332-T336 PolarHBondContact O-OG1 3.47Å; T336-T340 WeakPolarHBondContact O-CB 3.35Å; T336-T340 PolarHBondContact O-N 3.23Å; T336-T340 PolarHBondContact O-OG1 2.8Å
337T97.1Very high95.1Very high0 Ų040.4 Ų40.40%024%0.242CC..Hα-helixtrans-66.3-48.9179.1-53.40000111.5L304 P305 L317 I321 Q333 I334 S335 V339 T340 I341L304-T337 HydrophobicContact CB-CG2 4.49Å; P305-T337 HydrophobicContact CB-CG2 4.41Å; L317-T337 HydrophobicContact CB-CG2 4.25Å; L317-T337 HydrophobicContact CD1-CG2 3.98Å; I321-T337 HydrophobicContact CD1-CG2 4.16Å; I321-T337 HydrophobicContact CG2-CG2 3.93Å; Q333-T337 VanDerWaalsContact O-CB 3.3Å; Q333-T337 WeakPolarHBondContact O-CB 3.14Å; Q333-T337 PolarHBondContact O-N 3.44Å; Q333-T337 PolarHBondContact O-OG1 3.25Å; I334-T337 PolarHBondContact O-N 3.48Å; S335-T337 VanDerWaalsContact C-N 3.29Å; S335-T337 PolarHBondContact O-N 3.04Å; T337-V339 VanDerWaalsContact C-N 3.34Å; T337-V339 PolarHBondContact O-N 3.2Å; T337-T340 PolarHBondContact O-N 3.27Å; T337-I341 HydrophobicContact CG2-CD1 4Å; T337-I341 WeakPolarHBondContact O-CD1 3.42Å; T337-I341 VanDerWaalsContact O-CG1 3.31Å; T337-I341 WeakPolarHBondContact O-CG1 3.46Å; T337-I341 PolarHBondContact O-N 3.41Å
338R97.4Very high95.1Very high31 Ų3146 Ų4612%0.11727%0.267CS..Hα-helixtrans-59.7-43.2176.6-173.4-170.7-70.193.7-2.5112.3I321 I334 S335 I341 V342 D396 N400I321-R338 HydrophobicContact CD1-CB 3.85Å; I334-R338 WeakPolarHBondContact O-CB 3.49Å; I334-R338 PolarHBondContact O-N 3.12Å; S335-R338 PolarHBondContact O-N 3.46Å; R338-I341 PolarHBondContact O-N 2.83Å; R338-V342 WeakPolarHBondContact O-CG2 3.37Å; R338-V342 PolarHBondContact O-N 2.86Å; R338-D396 IonicContact CZ-OD1 2.62Å; R338-D396 IonicContact CZ-OD2 2.82Å; R338-D396 IonicContact NE-OD1 2.8Å; R338-D396 IonicContact NE-OD2 3.6Å; R338-D396 PolarHBondContact NE-OD2 2.92Å; R338-D396 IonicContact NH2-OD1 3.22Å; R338-D396 PolarHBondContact NH2-OD1 2.84Å; R338-D396 IonicContact NH2-OD2 3.15Å; R338-D396 PolarHBondContact NH2-OD2 2.66Å; R338-D396 VanDerWaalsContact NH2-OD2 3.15Å; R338-N400 PolarHBondContact NH2-ND2 3.23Å
339V97.3Very high95.2Very high86 Ų8646.9 Ų46.952%0.52127%0.27SS..Hα-helixtrans-63.8-44.6177.7171.70000110.5S335 T337 I341 V342 D343S335-V339 WeakPolarHBondContact O-CG2 3.36Å; S335-V339 PolarHBondContact O-N 2.96Å; T337-V339 VanDerWaalsContact C-N 3.34Å; T337-V339 PolarHBondContact O-N 3.2Å; V339-I341 VanDerWaalsContact C-N 3.32Å; V339-I341 PolarHBondContact O-N 3Å; V339-V342 PolarHBondContact O-N 3.46Å; V339-D343 WeakPolarHBondContact O-CB 3.42Å; V339-D343 PolarHBondContact O-N 2.94Å
340T96.6Very high95.5Very high25 Ų2546 Ų4615%0.15326%0.26CS..Hα-helixtrans-61.3-39.2178.7-54.40000112.3P305 T313 T336 T337 K344P305-T340 HydrophobicContact CB-CG2 4.02Å; P305-T340 HydrophobicContact CG-CG2 4.3Å; T313-T340 HydrophobicContact CG2-CG2 4.15Å; T336-T340 WeakPolarHBondContact O-CB 3.35Å; T336-T340 PolarHBondContact O-N 3.23Å; T336-T340 PolarHBondContact O-OG1 2.8Å; T337-T340 PolarHBondContact O-N 3.27Å; T340-K344 HydrophobicContact CG2-CD 4.03Å; T340-K344 WeakPolarHBondContact O-CB 3.39Å; T340-K344 WeakPolarHBondContact O-CG 3.36Å; T340-K344 PolarHBondContact O-N 3.07Å
341I97.7Very high95.8Very high0 Ų042.6 Ų42.60%024%0.243CC..Hα-helixtrans-66.3-48.6176.1-65.4161.4000110.8A315 L317 L318 T337 R338 V339 L345A315-I341 HydrophobicContact CB-CG2 4.12Å; L317-I341 HydrophobicContact CB-CD1 3.68Å; L317-I341 HydrophobicContact CD1-CD1 4.47Å; L318-I341 HydrophobicContact CD1-CG2 4.35Å; L318-I341 HydrophobicContact CD2-CD1 4.07Å; L318-I341 HydrophobicContact CG-CD1 4.13Å; L318-I341 HydrophobicContact CG-CG2 4.34Å; T337-I341 HydrophobicContact CG2-CD1 4Å; T337-I341 WeakPolarHBondContact O-CD1 3.42Å; T337-I341 VanDerWaalsContact O-CG1 3.31Å; T337-I341 WeakPolarHBondContact O-CG1 3.46Å; T337-I341 PolarHBondContact O-N 3.41Å; R338-I341 PolarHBondContact O-N 2.83Å; V339-I341 VanDerWaalsContact C-N 3.32Å; V339-I341 PolarHBondContact O-N 3Å; I341-L345 HydrophobicContact CG2-CD1 4.45Å; I341-L345 WeakPolarHBondContact O-CA 3.45Å; I341-L345 VanDerWaalsContact O-CB 3.28Å; I341-L345 WeakPolarHBondContact O-CB 3.01Å; I341-L345 PolarHBondContact O-N 3.3Å
342V97Very high96.1Very high44 Ų4440.1 Ų40.127%0.26722%0.224SC..Hα-helixtrans-65.3-44.9-178.6168.90000111.6R338 V339 Q346 L393R338-V342 WeakPolarHBondContact O-CG2 3.37Å; R338-V342 PolarHBondContact O-N 2.86Å; V339-V342 PolarHBondContact O-N 3.46Å; V342-Q346 WeakPolarHBondContact O-CB 3.48Å; V342-Q346 PolarHBondContact O-N 3.32Å; V342-L393 HydrophobicContact CG2-CD1 4.42Å; V342-L393 HydrophobicContact CG2-CD2 4.19Å
343D96.3Very high96.1Very high133 Ų13338 Ų3871%0.71120%0.203SC*.Hα-helixtrans-65.6-37.6-177.9-174.570.2000112.9V339V339-D343 WeakPolarHBondContact O-CB 3.42Å; V339-D343 PolarHBondContact O-N 2.94Å
344K94.6Very high96.2Very high64 Ų6437.2 Ų37.228%0.27820%0.199SC..Hα-helixtrans-97.8-38.3-175.5-63.5-173.9171.6-170.30114.6E312 T313 T340 R352E312-K344 WeakPolarHBondContact OE1-CD 3.02Å; E312-K344 WeakPolarHBondContact OE1-CE 3.38Å; E312-K344 IonicContact OE1-NZ 2.79Å; E312-K344 PolarHBondContact OE1-NZ 3.36Å; E312-K344 IonicContact OE2-NZ 3.69Å; T313-K344 HydrophobicContact CG2-CB 4.44Å; T313-K344 HydrophobicContact CG2-CD 4.19Å; T340-K344 HydrophobicContact CG2-CD 4.03Å; T340-K344 WeakPolarHBondContact O-CB 3.39Å; T340-K344 WeakPolarHBondContact O-CG 3.36Å; T340-K344 PolarHBondContact O-N 3.07Å; K344-R352 PolarHBondContact O-NH2 3.4Å
345L96.7Very high96.1Very high0 Ų038.2 Ų38.20%021%0.205CC..Hα-helixtrans-107.2-19.8-166.5-56.7-177.5000114T313 A315 I341 C351 R352 R353 L355T313-L345 HydrophobicContact CG2-CD1 3.96Å; T313-L345 HydrophobicContact CG2-CD2 4.42Å; T313-L345 HydrophobicContact CG2-CG 4.08Å; A315-L345 HydrophobicContact CB-CD1 3.89Å; A315-L345 VanDerWaalsContact N-CD1 3.31Å; I341-L345 HydrophobicContact CG2-CD1 4.45Å; I341-L345 WeakPolarHBondContact O-CA 3.45Å; I341-L345 VanDerWaalsContact O-CB 3.28Å; I341-L345 WeakPolarHBondContact O-CB 3.01Å; I341-L345 PolarHBondContact O-N 3.3Å; L345-C351 HydrophobicContact CB-CB 4.3Å; L345-C351 CarbonylContact O-C 3.47Å; L345-C351 VanDerWaalsContact O-CA 3.24Å; L345-C351 WeakPolarHBondContact O-CA 3.38Å; L345-R352 HydrophobicContact CB-CB 4.4Å; L345-R352 HydrophobicContact CD2-CB 4.24Å; L345-R352 PolarHBondContact O-N 2.69Å; L345-R353 WeakPolarHBondContact CD1-O 3.24Å; L345-L355 HydrophobicContact CD2-CD2 3.78Å; L345-L355 HydrophobicContact CD2-CG 3.92Å
346Q96Very high96Very high51 Ų5135.4 Ų35.424%0.23819%0.185CC..BIsolated β-bridgetrans-69.9136-178.8-159-175.7-85.700111.7V342 F390 Y409V342-Q346 WeakPolarHBondContact O-CB 3.48Å; V342-Q346 PolarHBondContact O-N 3.32Å; Q346-F390 HydrophobicContact CG-CE1 3.89Å; Q346-Y409 PolarHBondContact OE1-OH 2.95Å
347G94Very high95.8Very high18 Ų1831.9 Ų31.919%0.18616%0.163CC..  trans-123.2-155.1171.600000111.9G350 E385G347-G350 PolarHBondContact N-O 2.92Å; G347-E385 VanDerWaalsContact C-OE2 3.3Å; G347-E385 VanDerWaalsContact CA-OE2 3.3Å; G347-E385 WeakPolarHBondContact CA-OE2 3.43Å
348K94.3Very high95.5Very high119 Ų11931.9 Ų31.952%0.51716%0.163SC..SBendtrans-83.4-33.6179.8175.9-179.8166.3-162.10112.3E385 E449K348-E385 PolarHBondContact N-OE2 2.78Å; K348-E449 IonicContact NZ-OE1 3.63Å; K348-E449 PolarHBondContact NZ-OE1 2.96Å
349Y96.3Very high95.3Very high20 Ų2032.7 Ų32.78%0.07817%0.166CC..SBendtrans-106.7-12.7-172-58.3-91000113.6E385 F390 V416 Y431 E449 R450Y349-E385 WeakPolarHBondContact CA-OE2 3.49Å; Y349-E385 PolarHBondContact N-OE2 2.88Å; Y349-F390 VanDerWaalsContact C-CE2 3.46Å; Y349-V416 HydrophobicContact CD1-CG1 4.26Å; Y349-Y431 AromaticContact CD1-CD1 3.43Å; Y349-Y431 HydrophobicContact CD1-CD1 3.43Å; Y349-Y431 VanDerWaalsContact CD1-CD1 3.43Å; Y349-Y431 HydrophobicContact CD1-CD2 4.48Å; Y349-Y431 AromaticContact CD1-CE1 3.6Å; Y349-Y431 HydrophobicContact CD1-CE1 3.6Å; Y349-Y431 AromaticContact CD1-CG 3.91Å; Y349-Y431 HydrophobicContact CD1-CG 3.91Å; Y349-Y431 AromaticContact CE1-CD1 3.99Å; Y349-Y431 HydrophobicContact CE1-CD1 3.99Å; Y349-Y431 HydrophobicContact CE1-CE1 4.05Å; Y349-Y431 AromaticContact CG-CD1 3.9Å; Y349-Y431 HydrophobicContact CG-CD1 3.9Å; Y349-Y431 HydrophobicContact CG-CE1 4.47Å; Y349-Y431 AromaticContact CG-CG 3.96Å; Y349-Y431 HydrophobicContact CG-CG 3.96Å; Y349-E449 WeakPolarHBondContact OH-CA 3.4Å; Y349-E449 PolarHBondContact OH-OE1 2.78Å; Y349-E449 VanDerWaalsContact OH-OE1 3.06Å; Y349-R450 HydrophobicContact CD2-CB 3.78Å; Y349-R450 HydrophobicContact CD2-CG 3.96Å; Y349-R450 HydrophobicContact CE2-CB 3.66Å; Y349-R450 HydrophobicContact CE2-CG 3.8Å; Y349-R450 HydrophobicContact CG-CB 4.31Å; Y349-R450 PolarHBondContact OH-N 2.93Å
350G96.4Very high95Very high0 Ų032.6 Ų32.60%016%0.157CC..SBendtrans174.6-146.5179.200000112.4G347 E385 W386G347-G350 PolarHBondContact N-O 2.92Å; G350-E385 PolarHBondContact N-OE2 3.07Å; G350-W386 WeakPolarHBondContact CA-O 3.3Å
351C97.2Very high94.8Very high0 Ų031.7 Ų31.70%015%0.151CC..BIsolated β-bridgetrans-117.7147.7161.1-56.80000110.4A315 L345 W386 F389A315-C351 HydrophobicContact CB-CB 4.1Å; L345-C351 HydrophobicContact CB-CB 4.3Å; L345-C351 CarbonylContact O-C 3.47Å; L345-C351 VanDerWaalsContact O-CA 3.24Å; L345-C351 WeakPolarHBondContact O-CA 3.38Å; C351-W386 PolarHBondContact N-O 3.21Å; C351-W386 PolarHBondContact O-N 2.87Å; C351-F389 HydrophobicContact CB-CB 3.67Å; C351-F389 HydrophobicContact CB-CD2 3.68Å; C351-F389 HydrophobicContact CB-CG 3.95Å; C351-F389 WeakPolarHBondContact O-CD2 3.48Å
352R96.5Very high94.4Very high22 Ų2233.2 Ų33.28%0.08316%0.161CC..  trans-62.2147.6163.6-61.9-178.8-84.1-161.5-4.9109A315 K344 L345 E383A315-R352 WeakPolarHBondContact CB-O 3.43Å; K344-R352 PolarHBondContact O-NH2 3.4Å; L345-R352 HydrophobicContact CB-CB 4.4Å; L345-R352 HydrophobicContact CD2-CB 4.24Å; L345-R352 PolarHBondContact O-N 2.69Å; R352-E383 HydrophobicContact CB-CB 4.39Å; R352-E383 WeakPolarHBondContact CD-OE2 3.47Å; R352-E383 HydrophobicContact CG-CB 3.96Å; R352-E383 IonicContact CZ-OE2 3.45Å; R352-E383 IonicContact NE-OE2 2.74Å; R352-E383 IonicContact NH1-OE1 3.23Å; R352-E383 IonicContact NH1-OE2 2.72Å; R352-E383 PolarHBondContact NH1-OE2 3.44Å
353R95.9Very high94Very high13 Ų1335.9 Ų35.95%0.04917%0.166CC..SBendtrans-66.3-52.1177.8-61.8-169.6-60.7166.38.4110.9W242 D314 A315 L345 D357 W386 F389W242-R353 HydrophobicContact CH2-CG 4.16Å; W242-R353 HydrophobicContact CZ2-CB 4.09Å; W242-R353 HydrophobicContact CZ2-CG 3.95Å; D314-R353 CarbonylContact C-O 3.49Å; D314-R353 VanDerWaalsContact CA-O 3.28Å; D314-R353 WeakPolarHBondContact CA-O 3.25Å; D314-R353 VanDerWaalsContact CG-O 3.29Å; A315-R353 PolarHBondContact N-O 2.84Å; L345-R353 WeakPolarHBondContact CD1-O 3.24Å; R353-D357 IonicContact CZ-OD1 2.91Å; R353-D357 IonicContact CZ-OD2 3.52Å; R353-D357 IonicContact NE-OD2 3.15Å; R353-D357 PolarHBondContact NE-OD2 3.18Å; R353-D357 IonicContact NH2-OD1 3.25Å; R353-D357 PolarHBondContact NH2-OD1 2.75Å; R353-D357 IonicContact NH2-OD2 3.23Å; R353-D357 PolarHBondContact NH2-OD2 3.24Å; R353-W386 HydrophobicContact CG-CD2 4.15Å; R353-W386 HydrophobicContact CG-CG 4.14Å; R353-W386 HydrophobicContact CG-CZ2 4.42Å; R353-F389 HydrophobicContact CG-CE2 4.17Å; R353-F389 HydrophobicContact CG-CZ 4.38Å
354F94.9Very high93.7Very high4 Ų430.8 Ų30.82%0.01814%0.138CC..SBendtrans-152167.2170.551-89.9000108.7W242 K247 K311 D314 D357W242-F354 AromaticContact CD1-CD1 3.94Å; W242-F354 AromaticContact CD1-CE1 3.76Å; W242-F354 HydrophobicContact CG-CE1 4.4Å; K247-F354 HydrophobicContact CB-CE2 3.92Å; K311-F354 HydrophobicContact CD-CD1 4.19Å; K311-F354 HydrophobicContact CD-CG 4.29Å; K311-F354 HydrophobicContact CG-CG 4.42Å; D314-F354 WeakPolarHBondContact OD2-CD1 3.49Å; F354-D357 HydrophobicContact CD1-CB 4.47Å; F354-D357 HydrophobicContact CD2-CB 3.9Å; F354-D357 HydrophobicContact CE1-CB 4.24Å; F354-D357 HydrophobicContact CE2-CB 3.64Å; F354-D357 HydrophobicContact CG-CB 4.31Å; F354-D357 HydrophobicContact CZ-CB 3.82Å; F354-D357 WeakPolarHBondContact O-CB 3.43Å
355L93.7Very high93.5Very high36 Ų3631.3 Ų31.319%0.18814%0.144CC..THydrogen-bonded Turntrans-68.8141.8178.7-64.9-179.1000111.7E312 L345 D357 T1166E312-L355 HydrophobicContact CG-CD1 4.38Å; E312-L355 WeakPolarHBondContact OE1-CD1 3.44Å; L345-L355 HydrophobicContact CD2-CD2 3.78Å; L345-L355 HydrophobicContact CD2-CG 3.92Å; L355-D357 PolarHBondContact O-N 2.76Å; L355-T1166 HydrophobicContact CB-CG2 4.31Å
356R92.8Very high92.9Very high3 Ų336.7 Ų36.71%0.01118%0.179CC..THydrogen-bonded Turntrans58.431.4-175-62.5-179.1179.51617.4114.1G358 L376 E380 E383 T1162 Q1163 M1165R356-G358 PolarHBondContact O-N 3.22Å; R356-L376 HydrophobicContact CB-CB 4.31Å; R356-L376 VanDerWaalsContact CB-O 3.29Å; R356-L376 WeakPolarHBondContact CB-O 3.4Å; R356-L376 WeakPolarHBondContact CD-O 3.31Å; R356-L376 VanDerWaalsContact CG-O 3.25Å; R356-L376 WeakPolarHBondContact CG-O 3.34Å; R356-E380 HydrophobicContact CG-CB 4.18Å; R356-E380 IonicContact CZ-OE2 3.2Å; R356-E380 IonicContact NE-OE2 2.8Å; R356-E380 PolarHBondContact NE-OE2 2.94Å; R356-E380 IonicContact NH2-OE2 3.6Å; R356-E380 PolarHBondContact NH2-OE2 3.2Å; R356-E383 WeakPolarHBondContact CA-OE1 3.37Å; R356-E383 PolarHBondContact N-OE1 3.31Å; R356-T1162 VanDerWaalsContact CZ-O 3.3Å; R356-T1162 PolarHBondContact NH1-O 3.41Å; R356-T1162 PolarHBondContact NH2-O 3.23Å; R356-Q1163 VanDerWaalsContact NH1-C 3.34Å; R356-Q1163 PolarHBondContact NH1-O 3.21Å; R356-M1165 VanDerWaalsContact NH1-C 3.26Å; R356-M1165 PolarHBondContact NH1-O 3.31Å
357D93.2Very high92.5Very high0 Ų041.1 Ų41.10%020%0.204CC..  trans-74.1109.4167.8-179.720.4000111R353 F354 L355 Y359 E383R353-D357 IonicContact CZ-OD1 2.91Å; R353-D357 IonicContact CZ-OD2 3.52Å; R353-D357 IonicContact NE-OD2 3.15Å; R353-D357 PolarHBondContact NE-OD2 3.18Å; R353-D357 IonicContact NH2-OD1 3.25Å; R353-D357 PolarHBondContact NH2-OD1 2.75Å; R353-D357 IonicContact NH2-OD2 3.23Å; R353-D357 PolarHBondContact NH2-OD2 3.24Å; F354-D357 HydrophobicContact CD1-CB 4.47Å; F354-D357 HydrophobicContact CD2-CB 3.9Å; F354-D357 HydrophobicContact CE1-CB 4.24Å; F354-D357 HydrophobicContact CE2-CB 3.64Å; F354-D357 HydrophobicContact CG-CB 4.31Å; F354-D357 HydrophobicContact CZ-CB 3.82Å; F354-D357 WeakPolarHBondContact O-CB 3.43Å; L355-D357 PolarHBondContact O-N 2.76Å; D357-Y359 VanDerWaalsContact C-N 3.29Å; D357-Y359 PolarHBondContact O-N 2.94Å; D357-Y359 WeakPolarHBondContact OD1-CB 3.33Å; D357-Y359 PolarHBondContact OD1-N 3.42Å; D357-Y359 VanDerWaalsContact OD1-N 3.1Å; D357-E383 HydrophobicContact CB-CG 4.47Å
358G91.6Very high92.1Very high0 Ų043 Ų430%021%0.205CC..  trans-74.2-8.5178.200000115.7R356 R360 T361 E364 Y371R356-G358 PolarHBondContact O-N 3.22Å; G358-R360 PolarHBondContact O-N 3.2Å; G358-T361 WeakPolarHBondContact O-CB 3.35Å; G358-T361 WeakPolarHBondContact O-CG2 3.33Å; G358-T361 PolarHBondContact O-N 2.79Å; G358-T361 PolarHBondContact O-OG1 3.35Å; G358-E364 WeakPolarHBondContact O-CB 3.47Å; G358-Y371 VanDerWaalsContact C-OH 3.29Å
359Y92.1Very high91.4Very high49 Ų4942.7 Ų42.719%0.19221%0.209CC..THydrogen-bonded Turntrans-62.9121.4-166.6-178.4-109.9000113.5D357 T361 Y371 C384 W386 L430D357-Y359 VanDerWaalsContact C-N 3.29Å; D357-Y359 PolarHBondContact O-N 2.94Å; D357-Y359 WeakPolarHBondContact OD1-CB 3.33Å; D357-Y359 PolarHBondContact OD1-N 3.42Å; D357-Y359 VanDerWaalsContact OD1-N 3.1Å; Y359-T361 PolarHBondContact O-N 3.42Å; Y359-Y371 PolarHBondContact N-OH 2.79Å; Y359-Y371 VanDerWaalsContact N-OH 3.13Å; Y359-C384 PolarHBondContact O-SG 3.39Å; Y359-W386 AromaticContact CD1-CZ2 3.89Å; Y359-W386 HydrophobicContact CD1-CZ2 3.89Å; Y359-W386 HydrophobicContact CE1-CH2 4.35Å; Y359-W386 AromaticContact CE1-CZ2 3.92Å; Y359-W386 HydrophobicContact CE1-CZ2 3.92Å; Y359-L430 HydrophobicContact CD1-CD2 4.1Å; Y359-L430 HydrophobicContact CE1-CD2 3.84Å
360R90.8Very high90.9Very high84 Ų8446.4 Ų46.432%0.31722%0.224SC..THydrogen-bonded Turntrans53.818.6-170.9-53.6-162.7-160.8-140.916.4115.3G358 E364 C384 E429 L430G358-R360 PolarHBondContact O-N 3.2Å; R360-E364 PolarHBondContact N-OE2 2.69Å; R360-C384 VanDerWaalsContact C-SG 3.6Å; R360-C384 PolarHBondContact O-SG 3.22Å; R360-E429 IonicContact CZ-OE1 3.41Å; R360-E429 IonicContact CZ-OE2 2.69Å; R360-E429 IonicContact NE-OE1 3.81Å; R360-E429 VanDerWaalsContact NH2-CD 3.35Å; R360-E429 IonicContact NH2-OE1 3.28Å; R360-E429 PolarHBondContact NH2-OE1 3.39Å; R360-E429 IonicContact NH2-OE2 2.72Å; R360-E429 PolarHBondContact NH2-OE2 2.63Å; R360-L430 HydrophobicContact CB-CD1 4.12Å; R360-L430 HydrophobicContact CG-CD2 4.45Å
361T92.2Very high90.4Very high5 Ų546.6 Ų46.63%0.03122%0.224CC..  trans-69.3151169.4650000109.7G358 Y359 R363 E364 F379G358-T361 WeakPolarHBondContact O-CB 3.35Å; G358-T361 WeakPolarHBondContact O-CG2 3.33Å; G358-T361 PolarHBondContact O-N 2.79Å; G358-T361 PolarHBondContact O-OG1 3.35Å; Y359-T361 PolarHBondContact O-N 3.42Å; T361-R363 PolarHBondContact O-N 3.1Å; T361-E364 PolarHBondContact O-N 3.13Å; T361-F379 VanDerWaalsContact OG1-CD1 3.28Å; T361-F379 WeakPolarHBondContact OG1-CD1 3.2Å
362P89.1Confident89.9Confident32 Ų3249.2 Ų49.221%0.20824%0.237CC..THydrogen-bonded Turntrans-61.63.8177.1-28.538.6000116.4I433 E435 V438P362-I433 HydrophobicContact CG-CB 4.32Å; P362-I433 HydrophobicContact CG-CG2 4.43Å; P362-I433 WeakPolarHBondContact CG-O 3.28Å; P362-E435 HydrophobicContact CB-CG 3.95Å; P362-V438 HydrophobicContact CB-CG2 3.49Å; P362-V438 VanDerWaalsContact CB-CG2 3.49Å; P362-V438 HydrophobicContact CG-CG2 3.85Å
363R89.4Confident89.2Confident100 Ų10050 Ų5038%0.37725%0.245SC..THydrogen-bonded Turntrans-122.74.8176.8-67.5-173.2169.7175.11113T361 F379 L382 D439 I442T361-R363 PolarHBondContact O-N 3.1Å; R363-F379 HydrophobicContact CB-CD1 4.43Å; R363-F379 HydrophobicContact CB-CE1 4.26Å; R363-L382 HydrophobicContact CG-CD1 4.23Å; R363-D439 IonicContact CZ-OD1 2.67Å; R363-D439 IonicContact NH2-OD1 2.65Å; R363-D439 PolarHBondContact NH2-OD1 2.91Å; R363-I442 VanDerWaalsContact CZ-CD1 3.44Å
364E91Very high88.5Confident27 Ų2755.1 Ų55.113%0.12627%0.265CS..SBendtrans-70.4139.5166.9-161.7179.7-161.900109R244 G358 R360 T361 P366 Y371R244-E364 IonicContact CZ-OE1 2.78Å; R244-E364 IonicContact NH1-OE1 2.77Å; R244-E364 PolarHBondContact NH1-OE1 3.13Å; R244-E364 VanDerWaalsContact NH1-OE1 3.12Å; R244-E364 IonicContact NH2-OE1 2.69Å; R244-E364 PolarHBondContact NH2-OE1 2.87Å; G358-E364 WeakPolarHBondContact O-CB 3.47Å; R360-E364 PolarHBondContact N-OE2 2.69Å; T361-E364 PolarHBondContact O-N 3.13Å; E364-P366 VanDerWaalsContact O-CD 3.27Å; E364-P366 WeakPolarHBondContact O-CD 3.49Å; E364-Y371 HydrophobicContact CG-CE1 3.8Å; E364-Y371 WeakPolarHBondContact OE1-CE1 3.37Å; E364-Y371 PolarHBondContact OE1-OH 3.02Å; E364-Y371 VanDerWaalsContact OE1-OH 3.06Å
365D89.2Confident88.1Confident74 Ų7456.2 Ų56.240%0.39627%0.27SS..  trans-83.6106.5160.7174.210.9000108.1N367 R368D365-N367 PolarHBondContact O-N 2.9Å; D365-N367 VanDerWaalsContact OD1-CB 3.31Å; D365-N367 WeakPolarHBondContact OD1-CB 3.37Å; D365-N367 PolarHBondContact OD1-N 3.33Å; D365-N367 PolarHBondContact OD1-ND2 3.28Å; D365-R368 HydrophobicContact CB-CB 4.37Å; D365-R368 PolarHBondContact O-N 3.3Å
366P84.9Confident87.9Confident113 Ų11354.6 Ų54.673%0.73426%0.262SS*.THydrogen-bonded Turntrans-66.6-11.1-176.230-37000113.2E364 R368E364-P366 VanDerWaalsContact O-CD 3.27Å; E364-P366 WeakPolarHBondContact O-CD 3.49Å; P366-R368 VanDerWaalsContact C-N 3.34Å
367N87.2Confident87.7Confident145 Ų14557.3 Ų57.378%0.77527%0.274SS*.THydrogen-bonded Turntrans-83.1-10.8176.3-51.1-82.1000112.5D365D365-N367 PolarHBondContact O-N 2.9Å; D365-N367 VanDerWaalsContact OD1-CB 3.31Å; D365-N367 WeakPolarHBondContact OD1-CB 3.37Å; D365-N367 PolarHBondContact OD1-N 3.33Å; D365-N367 PolarHBondContact OD1-ND2 3.28Å
368R86.1Confident87.6Confident56 Ų5661.6 Ų61.621%0.21129%0.293CS..  trans-124122.4-172.9-160.2173.271.2178.8-17.1112D365 P366 Y370 E372 E375D365-R368 HydrophobicContact CB-CB 4.37Å; D365-R368 PolarHBondContact O-N 3.3Å; P366-R368 VanDerWaalsContact C-N 3.34Å; R368-Y370 VanDerWaalsContact C-N 3.32Å; R368-Y370 HydrophobicContact CG-CD1 3.86Å; R368-Y370 HydrophobicContact CG-CD2 4.41Å; R368-Y370 HydrophobicContact CG-CE1 3.74Å; R368-Y370 HydrophobicContact CG-CE2 4.32Å; R368-Y370 HydrophobicContact CG-CG 4.2Å; R368-Y370 PolarHBondContact NE-O 3.47Å; R368-Y370 PolarHBondContact O-N 2.84Å; R368-E372 IonicContact NH1-OE1 2.7Å; R368-E372 PolarHBondContact NH1-OE1 3.29Å; R368-E375 IonicContact CZ-OE1 3.44Å; R368-E375 IonicContact CZ-OE2 3.78Å; R368-E375 IonicContact NH2-OE1 2.75Å; R368-E375 PolarHBondContact NH2-OE1 3.44Å; R368-E375 IonicContact NH2-OE2 2.78Å; R368-E375 PolarHBondContact NH2-OE2 3.12Å
369L79.8Confident87.6Confident114 Ų11461.6 Ų61.660%0.59729%0.293SS*.SBendtrans-71.8-23179.8-95.9158.9000114.2N249N249-L369 WeakPolarHBondContact CB-O 3.37Å
370Y84.3Confident87.5Confident97 Ų9761.8 Ų61.838%0.3830%0.296SS..SBendtrans-109.1155.1-179.768.8-93.6000112.6T248 H250 R368T248-Y370 WeakPolarHBondContact O-CA 3.29Å; H250-Y370 AromaticContact CE1-CD2 3.52Å; H250-Y370 WeakPolarHBondContact ND1-CB 3.42Å; H250-Y370 AromaticContact ND1-CD2 3.64Å; H250-Y370 AromaticContact ND1-CG 3.65Å; R368-Y370 VanDerWaalsContact C-N 3.32Å; R368-Y370 HydrophobicContact CG-CD1 3.86Å; R368-Y370 HydrophobicContact CG-CD2 4.41Å; R368-Y370 HydrophobicContact CG-CE1 3.74Å; R368-Y370 HydrophobicContact CG-CE2 4.32Å; R368-Y370 HydrophobicContact CG-CG 4.2Å; R368-Y370 PolarHBondContact NE-O 3.47Å; R368-Y370 PolarHBondContact O-N 2.84Å
371Y86.9Confident87.5Confident4 Ų460 Ų602%0.01629%0.292CS..  trans-109.1142.7175.2-49.5-30.9000109.6R244 K247 T248 N249 G358 Y359 E364 E375 L376 F379R244-Y371 PolarHBondContact NH1-OH 2.88Å; K247-Y371 WeakPolarHBondContact O-CD2 3.19Å; T248-Y371 PolarHBondContact O-N 2.97Å; N249-Y371 WeakPolarHBondContact ND2-CD2 3.12Å; N249-Y371 WeakPolarHBondContact ND2-CE2 3.5Å; N249-Y371 PolarHBondContact ND2-OH 3.13Å; G358-Y371 VanDerWaalsContact C-OH 3.29Å; Y359-Y371 PolarHBondContact N-OH 2.79Å; Y359-Y371 VanDerWaalsContact N-OH 3.13Å; E364-Y371 HydrophobicContact CG-CE1 3.8Å; E364-Y371 WeakPolarHBondContact OE1-CE1 3.37Å; E364-Y371 PolarHBondContact OE1-OH 3.02Å; E364-Y371 VanDerWaalsContact OE1-OH 3.06Å; Y371-E375 WeakPolarHBondContact CA-OE2 3.28Å; Y371-L376 HydrophobicContact CD2-CD2 3.7Å; Y371-L376 HydrophobicContact CG-CD2 4.47Å; Y371-F379 HydrophobicContact CD1-CE2 4.3Å; Y371-F379 HydrophobicContact CD1-CZ 4.28Å; Y371-F379 HydrophobicContact CD2-CD2 4.47Å; Y371-F379 AromaticContact CD2-CE2 3.65Å; Y371-F379 HydrophobicContact CD2-CE2 3.65Å; Y371-F379 HydrophobicContact CD2-CZ 4.41Å; Y371-F379 HydrophobicContact CE1-CZ 4.48Å; Y371-F379 HydrophobicContact CE2-CD2 4.47Å; Y371-F379 AromaticContact CE2-CE2 3.87Å; Y371-F379 HydrophobicContact CE2-CE2 3.87Å; Y371-F379 AromaticContact CG-CE2 3.86Å; Y371-F379 HydrophobicContact CG-CE2 3.86Å; Y371-F379 HydrophobicContact CG-CZ 4.25Å
372E86.2Confident87.5Confident56 Ų5659.9 Ų59.926%0.26229%0.291SS..  trans-70.1146.2166.3-63.6-62.8156.600109.7R368 Y374 E375R368-E372 IonicContact NH1-OE1 2.7Å; R368-E372 PolarHBondContact NH1-OE1 3.29Å; E372-Y374 HydrophobicContact CB-CD1 3.8Å; E372-Y374 HydrophobicContact CB-CE1 3.34Å; E372-Y374 HydrophobicContact CB-CE2 4.36Å; E372-Y374 HydrophobicContact CB-CG 4.47Å; E372-Y374 HydrophobicContact CG-CE1 3.81Å; E372-Y374 PolarHBondContact O-N 2.95Å; E372-E375 HydrophobicContact CB-CG 4Å; E372-E375 PolarHBondContact N-OE2 2.84Å; E372-E375 WeakPolarHBondContact O-CB 3.5Å; E372-E375 PolarHBondContact O-N 2.7Å
373P81.5Confident87.8Confident38 Ų3858.4 Ų58.425%0.24728%0.282CS..G310 helixtrans-55.3-34-174.8-28.435.4000114.6T248 E375 E1164T248-P373 HydrophobicContact CG2-CG 4.28Å; P373-E375 VanDerWaalsContact C-N 3.34Å; P373-E375 PolarHBondContact O-N 2.99Å; P373-E1164 HydrophobicContact CB-CB 4.32Å; P373-E1164 HydrophobicContact CB-CG 3.54Å; P373-E1164 WeakPolarHBondContact O-CA 3.41Å
374Y81.5Confident88.1Confident120 Ų12053.7 Ų53.747%0.47126%0.264SS..G310 helixtrans-77-13.7177.963.9-94.8000114.2E372 L376E372-Y374 HydrophobicContact CB-CD1 3.8Å; E372-Y374 HydrophobicContact CB-CE1 3.34Å; E372-Y374 HydrophobicContact CB-CE2 4.36Å; E372-Y374 HydrophobicContact CB-CG 4.47Å; E372-Y374 HydrophobicContact CG-CE1 3.81Å; E372-Y374 PolarHBondContact O-N 2.95Å; Y374-L376 VanDerWaalsContact C-N 3.33Å
375E87.2Confident88.4Confident28 Ų2852.6 Ų52.613%0.13126%0.259CS..G310 helixtrans-75.6-25.4176.8-68.6171.9165.400112.3R368 Y371 E372 P373 Q377 K378 F379R368-E375 IonicContact CZ-OE1 3.44Å; R368-E375 IonicContact CZ-OE2 3.78Å; R368-E375 IonicContact NH2-OE1 2.75Å; R368-E375 PolarHBondContact NH2-OE1 3.44Å; R368-E375 IonicContact NH2-OE2 2.78Å; R368-E375 PolarHBondContact NH2-OE2 3.12Å; Y371-E375 WeakPolarHBondContact CA-OE2 3.28Å; E372-E375 HydrophobicContact CB-CG 4Å; E372-E375 PolarHBondContact N-OE2 2.84Å; E372-E375 WeakPolarHBondContact O-CB 3.5Å; E372-E375 PolarHBondContact O-N 2.7Å; P373-E375 VanDerWaalsContact C-N 3.34Å; P373-E375 PolarHBondContact O-N 2.99Å; E375-Q377 PolarHBondContact O-N 2.77Å; E375-K378 HydrophobicContact CB-CD 4.31Å; E375-K378 HydrophobicContact CG-CD 4.21Å; E375-K378 WeakPolarHBondContact O-CA 3.38Å; E375-K378 WeakPolarHBondContact O-CB 3.42Å; E375-K378 PolarHBondContact O-N 2.98Å; E375-F379 HydrophobicContact CB-CE2 4.26Å; E375-F379 HydrophobicContact CB-CZ 4.14Å
376L89.4Confident88.8Confident2 Ų249.5 Ų49.51%0.0124%0.242CC..G310 helixtrans-55-38.6-179.3-61.9177.5000112.4K247 T248 R356 Y371 Y374 K378 F379 E1164K247-L376 HydrophobicContact CD-CD1 4Å; K247-L376 HydrophobicContact CG-CD1 4.13Å; T248-L376 HydrophobicContact CG2-CD1 4.01Å; R356-L376 HydrophobicContact CB-CB 4.31Å; R356-L376 VanDerWaalsContact CB-O 3.29Å; R356-L376 WeakPolarHBondContact CB-O 3.4Å; R356-L376 WeakPolarHBondContact CD-O 3.31Å; R356-L376 VanDerWaalsContact CG-O 3.25Å; R356-L376 WeakPolarHBondContact CG-O 3.34Å; Y371-L376 HydrophobicContact CD2-CD2 3.7Å; Y371-L376 HydrophobicContact CG-CD2 4.47Å; Y374-L376 VanDerWaalsContact C-N 3.33Å; L376-K378 VanDerWaalsContact C-N 3.29Å; L376-K378 PolarHBondContact O-N 3.22Å; L376-F379 HydrophobicContact CD2-CD2 4.37Å; L376-F379 HydrophobicContact CD2-CE2 4.3Å; L376-F379 PolarHBondContact O-N 3.07Å; L376-E1164 VanDerWaalsContact CD1-O 3.27Å; L376-E1164 WeakPolarHBondContact CD1-O 3.47Å
377Q89.1Confident89.4Confident60 Ų6044.1 Ų44.128%0.2821%0.207SC..G310 helixtrans-66.7-27.8174.6-176.6166.459.700113.3E375 F379 E380 Q1163E375-Q377 PolarHBondContact O-N 2.77Å; Q377-F379 PolarHBondContact O-N 2.9Å; Q377-E380 WeakPolarHBondContact O-CB 3.48Å; Q377-E380 PolarHBondContact O-N 3.29Å; Q377-Q1163 HydrophobicContact CB-CB 3.98Å; Q377-Q1163 PolarHBondContact N-O 3.3Å; Q377-Q1163 VanDerWaalsContact OE1-CG 3.25Å; Q377-Q1163 VanDerWaalsContact OE1-NE2 3.15Å
378K89.6Confident89.9Confident89 Ų8937.2 Ų37.239%0.38717%0.17SC..G310 helixtrans-66.3-18.7177.2-53.8175.7-176173.70112.4E375 L376 L382E375-K378 HydrophobicContact CB-CD 4.31Å; E375-K378 HydrophobicContact CG-CD 4.21Å; E375-K378 WeakPolarHBondContact O-CA 3.38Å; E375-K378 WeakPolarHBondContact O-CB 3.42Å; E375-K378 PolarHBondContact O-N 2.98Å; L376-K378 VanDerWaalsContact C-N 3.29Å; L376-K378 PolarHBondContact O-N 3.22Å; K378-L382 WeakPolarHBondContact O-CD1 3.37Å
379F92Very high90.5Very high1 Ų134.5 Ų34.50%0.00416%0.16CC..G310 helixtrans-92.8-11.3178.1-46.7-46.1000113.3T361 R363 Y371 E375 L376 Q377 N381 L382 E383T361-F379 VanDerWaalsContact OG1-CD1 3.28Å; T361-F379 WeakPolarHBondContact OG1-CD1 3.2Å; R363-F379 HydrophobicContact CB-CD1 4.43Å; R363-F379 HydrophobicContact CB-CE1 4.26Å; Y371-F379 HydrophobicContact CD1-CE2 4.3Å; Y371-F379 HydrophobicContact CD1-CZ 4.28Å; Y371-F379 HydrophobicContact CD2-CD2 4.47Å; Y371-F379 AromaticContact CD2-CE2 3.65Å; Y371-F379 HydrophobicContact CD2-CE2 3.65Å; Y371-F379 HydrophobicContact CD2-CZ 4.41Å; Y371-F379 HydrophobicContact CE1-CZ 4.48Å; Y371-F379 HydrophobicContact CE2-CD2 4.47Å; Y371-F379 AromaticContact CE2-CE2 3.87Å; Y371-F379 HydrophobicContact CE2-CE2 3.87Å; Y371-F379 AromaticContact CG-CE2 3.86Å; Y371-F379 HydrophobicContact CG-CE2 3.86Å; Y371-F379 HydrophobicContact CG-CZ 4.25Å; E375-F379 HydrophobicContact CB-CE2 4.26Å; E375-F379 HydrophobicContact CB-CZ 4.14Å; L376-F379 HydrophobicContact CD2-CD2 4.37Å; L376-F379 HydrophobicContact CD2-CE2 4.3Å; L376-F379 PolarHBondContact O-N 3.07Å; Q377-F379 PolarHBondContact O-N 2.9Å; F379-N381 PolarHBondContact O-N 3.01Å; F379-L382 PolarHBondContact O-N 2.89Å; F379-E383 WeakPolarHBondContact O-CG 3.25Å; F379-E383 PolarHBondContact O-N 3.42Å
380E89.9Confident91.4Very high53 Ų5329.2 Ų29.225%0.24813%0.132CC..THydrogen-bonded Turntrans-57.9118.3-178.6-170169.5146.900110.4R356 Q377 L382 R1145R356-E380 HydrophobicContact CG-CB 4.18Å; R356-E380 IonicContact CZ-OE2 3.2Å; R356-E380 IonicContact NE-OE2 2.8Å; R356-E380 PolarHBondContact NE-OE2 2.94Å; R356-E380 IonicContact NH2-OE2 3.6Å; R356-E380 PolarHBondContact NH2-OE2 3.2Å; Q377-E380 WeakPolarHBondContact O-CB 3.48Å; Q377-E380 PolarHBondContact O-N 3.29Å; E380-L382 PolarHBondContact O-N 3.13Å; E380-R1145 IonicContact OE1-NH1 3.75Å
381N90.3Very high92Very high47 Ų4724.6 Ų24.625%0.25111%0.113SC..THydrogen-bonded Turntrans71.5-10.2-172.7-46.3-51.6000116.6F379 E383 P445 R450F379-N381 PolarHBondContact O-N 3.01Å; N381-E383 WeakPolarHBondContact CA-OE2 3.26Å; N381-E383 PolarHBondContact N-OE1 2.86Å; N381-E383 PolarHBondContact N-OE2 3.06Å; N381-P445 HydrophobicContact CB-CB 4.05Å; N381-P445 HydrophobicContact CB-CG 4.32Å; N381-R450 PolarHBondContact O-NH2 2.75Å
382L93.8Very high92.5Very high1 Ų124.5 Ų24.51%0.00511%0.113CC..THydrogen-bonded Turntrans-84.9-12.5170.2-62.2-174.3000112.9R363 K378 F379 E380 I433 V438 E441 I442 R450R363-L382 HydrophobicContact CG-CD1 4.23Å; K378-L382 WeakPolarHBondContact O-CD1 3.37Å; F379-L382 PolarHBondContact O-N 2.89Å; E380-L382 PolarHBondContact O-N 3.13Å; L382-I433 HydrophobicContact CD2-CD1 4.09Å; L382-V438 HydrophobicContact CD1-CG1 3.74Å; L382-V438 HydrophobicContact CD2-CG1 4.2Å; L382-E441 HydrophobicContact CD2-CB 4.15Å; L382-E441 HydrophobicContact CD2-CG 4.13Å; L382-I442 HydrophobicContact CD1-CD1 4.33Å; L382-I442 HydrophobicContact CD2-CG1 4.13Å; L382-I442 HydrophobicContact CG-CG1 4.45Å; L382-R450 PolarHBondContact O-NH1 3.02Å; L382-R450 VanDerWaalsContact O-NH1 3.15Å
383E94.9Very high93.1Very high2 Ų221.9 Ų21.91%0.00910%0.101CC..PPolyproline II helixtrans-54.3140.2-171-46.694157.700112.2R352 R356 D357 F379 N381 R450R352-E383 HydrophobicContact CB-CB 4.39Å; R352-E383 WeakPolarHBondContact CD-OE2 3.47Å; R352-E383 HydrophobicContact CG-CB 3.96Å; R352-E383 IonicContact CZ-OE2 3.45Å; R352-E383 IonicContact NE-OE2 2.74Å; R352-E383 IonicContact NH1-OE1 3.23Å; R352-E383 IonicContact NH1-OE2 2.72Å; R352-E383 PolarHBondContact NH1-OE2 3.44Å; R356-E383 WeakPolarHBondContact CA-OE1 3.37Å; R356-E383 PolarHBondContact N-OE1 3.31Å; D357-E383 HydrophobicContact CB-CG 4.47Å; F379-E383 WeakPolarHBondContact O-CG 3.25Å; F379-E383 PolarHBondContact O-N 3.42Å; N381-E383 WeakPolarHBondContact CA-OE2 3.26Å; N381-E383 PolarHBondContact N-OE1 2.86Å; N381-E383 PolarHBondContact N-OE2 3.06Å; E383-R450 PolarHBondContact O-NH1 3.04Å
384C95.9Very high93.9Very high0 Ų020.1 Ų20.10%09%0.089CC..PPolyproline II helixtrans-71.4145.2-175.9-59.50000112.8Y359 R360 L430 Y431Y359-C384 PolarHBondContact O-SG 3.39Å; R360-C384 VanDerWaalsContact C-SG 3.6Å; R360-C384 PolarHBondContact O-SG 3.22Å; C384-L430 HydrophobicContact CB-CB 4.33Å; C384-L430 HydrophobicContact CB-CD1 3.58Å; C384-L430 HydrophobicContact CB-CG 4.45Å; C384-Y431 WeakPolarHBondContact CA-O 3.44Å
385E97Very high94.6Very high4 Ų414.4 Ų14.42%0.0197%0.067CC..BIsolated β-bridgetrans-101.1126.8-176.7-63.5-178.1-144.400110.7G347 K348 Y349 G350 L430 Y431 R450G347-E385 VanDerWaalsContact C-OE2 3.3Å; G347-E385 VanDerWaalsContact CA-OE2 3.3Å; G347-E385 WeakPolarHBondContact CA-OE2 3.43Å; K348-E385 PolarHBondContact N-OE2 2.78Å; Y349-E385 WeakPolarHBondContact CA-OE2 3.49Å; Y349-E385 PolarHBondContact N-OE2 2.88Å; G350-E385 PolarHBondContact N-OE2 3.07Å; E385-L430 CarbonylContact O-C 3.12Å; E385-L430 WeakPolarHBondContact O-CA 3.3Å; E385-Y431 PolarHBondContact N-O 2.92Å; E385-Y431 PolarHBondContact O-N 2.94Å; E385-R450 WeakPolarHBondContact OE1-CD 3.1Å; E385-R450 IonicContact OE1-CZ 3.53Å; E385-R450 IonicContact OE1-NE 3.85Å; E385-R450 PolarHBondContact OE1-NE 3.37Å
386W97.6Very high95Very high9 Ų913.5 Ų13.53%0.0346%0.063CC..BIsolated β-bridgetrans-106.7116-173.3-70.860.9000111.3G350 C351 R353 Y359 L388 F389 E429 L430 F458G350-W386 WeakPolarHBondContact CA-O 3.3Å; C351-W386 PolarHBondContact N-O 3.21Å; C351-W386 PolarHBondContact O-N 2.87Å; R353-W386 HydrophobicContact CG-CD2 4.15Å; R353-W386 HydrophobicContact CG-CG 4.14Å; R353-W386 HydrophobicContact CG-CZ2 4.42Å; Y359-W386 AromaticContact CD1-CZ2 3.89Å; Y359-W386 HydrophobicContact CD1-CZ2 3.89Å; Y359-W386 HydrophobicContact CE1-CH2 4.35Å; Y359-W386 AromaticContact CE1-CZ2 3.92Å; Y359-W386 HydrophobicContact CE1-CZ2 3.92Å; W386-L388 HydrophobicContact CB-CB 4.46Å; W386-L388 PolarHBondContact O-N 3.22Å; W386-L388 VanDerWaalsContact O-N 3.15Å; W386-F389 HydrophobicContact CB-CD2 3.73Å; W386-F389 HydrophobicContact CB-CE2 3.63Å; W386-F389 HydrophobicContact CG-CE2 4.16Å; W386-F389 PolarHBondContact O-N 2.86Å; W386-E429 HydrophobicContact CE3-CG 4.4Å; W386-E429 VanDerWaalsContact CE3-O 3.23Å; W386-E429 HydrophobicContact CH2-CG 3.75Å; W386-E429 HydrophobicContact CZ3-CG 3.69Å; W386-L430 HydrophobicContact CD2-CB 4.01Å; W386-L430 HydrophobicContact CG-CB 4.02Å; W386-L430 HydrophobicContact CH2-CD2 4.09Å; W386-L430 HydrophobicContact CZ2-CB 4.45Å; W386-L430 HydrophobicContact CZ2-CD2 3.44Å; W386-L430 VanDerWaalsContact CZ2-CD2 3.44Å; W386-F458 HydrophobicContact CE3-CE1 4.13Å; W386-F458 HydrophobicContact CZ3-CD1 4.45Å; W386-F458 AromaticContact CZ3-CE1 3.77Å; W386-F458 HydrophobicContact CZ3-CE1 3.77Å; W386-F458 HydrophobicContact CZ3-CZ 4.08Å
387P97.8Very high95.3Very high0 Ų013.5 Ų13.50%06%0.064CC..THydrogen-bonded Turntrans-59.5-22.2175.7-27.336.2000114.3F389 F390 C391 V416 V427 P428 Y431P387-F389 PolarHBondContact O-N 2.88Å; P387-F390 WeakPolarHBondContact O-CB 3.48Å; P387-F390 PolarHBondContact O-N 2.93Å; P387-C391 PolarHBondContact O-N 3.33Å; P387-V416 HydrophobicContact CB-CG2 3.92Å; P387-V416 HydrophobicContact CG-CB 4.47Å; P387-V416 HydrophobicContact CG-CG2 4.17Å; P387-V427 HydrophobicContact CB-CG1 3.66Å; P387-V427 HydrophobicContact CG-CG1 4.46Å; P387-P428 HydrophobicContact CG-CG 4.26Å; P387-Y431 HydrophobicContact CG-CD2 3.73Å; P387-Y431 HydrophobicContact CG-CE2 3.81Å
388L97.3Very high95.6Very high0 Ų011.5 Ų11.50%05%0.054CC..Hα-helixtrans-43.3-41.2172.9175.866000112.8W242 W386 C391 Y392 F458 W460 A461 L464W242-L388 HydrophobicContact CH2-CD2 4.49Å; W386-L388 HydrophobicContact CB-CB 4.46Å; W386-L388 PolarHBondContact O-N 3.22Å; W386-L388 VanDerWaalsContact O-N 3.15Å; L388-C391 VanDerWaalsContact O-CB 3.3Å; L388-C391 WeakPolarHBondContact O-CB 3.5Å; L388-C391 PolarHBondContact O-N 3.1Å; L388-Y392 HydrophobicContact CD1-CD2 4.25Å; L388-Y392 HydrophobicContact CD1-CE2 3.86Å; L388-Y392 HydrophobicContact CD2-CE2 4.32Å; L388-Y392 HydrophobicContact CG-CD2 4.08Å; L388-Y392 HydrophobicContact CG-CE2 3.92Å; L388-Y392 WeakPolarHBondContact O-CD2 3.49Å; L388-Y392 PolarHBondContact O-N 3.49Å; L388-Y392 VanDerWaalsContact O-N 3.1Å; L388-F458 HydrophobicContact CD2-CE1 4.26Å; L388-W460 HydrophobicContact CD1-CD2 4.1Å; L388-W460 HydrophobicContact CD1-CG 3.95Å; L388-W460 HydrophobicContact CD2-CD2 4.16Å; L388-W460 HydrophobicContact CD2-CE3 4.31Å; L388-W460 HydrophobicContact CD2-CH2 4.04Å; L388-W460 HydrophobicContact CD2-CZ2 3.95Å; L388-W460 HydrophobicContact CD2-CZ3 4.24Å; L388-A461 HydrophobicContact CB-CB 4.05Å; L388-A461 HydrophobicContact CD1-CB 3.81Å; L388-L464 HydrophobicContact CD1-CD1 4.02Å
389F98Very high95.7Very high0 Ų08.7 Ų8.70%04%0.042CC..Hα-helixtrans-79.3-24.2-176-55.8-61.8000113.3W242 A315 L318 C351 R353 W386 P387 C391 Y392 L393W242-F389 HydrophobicContact CH2-CE1 4.41Å; W242-F389 AromaticContact CH2-CZ 3.71Å; W242-F389 HydrophobicContact CH2-CZ 3.71Å; W242-F389 HydrophobicContact CZ2-CE1 4.39Å; W242-F389 AromaticContact CZ2-CZ 3.71Å; W242-F389 HydrophobicContact CZ2-CZ 3.71Å; A315-F389 VanDerWaalsContact C-CE1 3.42Å; A315-F389 HydrophobicContact CB-CB 4.49Å; A315-F389 HydrophobicContact CB-CD1 3.6Å; A315-F389 HydrophobicContact CB-CD2 3.74Å; A315-F389 HydrophobicContact CB-CE1 3.61Å; A315-F389 HydrophobicContact CB-CE2 3.72Å; A315-F389 HydrophobicContact CB-CG 3.66Å; A315-F389 HydrophobicContact CB-CZ 3.66Å; A315-F389 WeakPolarHBondContact O-CD1 3.2Å; A315-F389 WeakPolarHBondContact O-CE1 3.49Å; L318-F389 HydrophobicContact CD1-CB 4.04Å; L318-F389 HydrophobicContact CD1-CD1 4.11Å; L318-F389 HydrophobicContact CD1-CG 4.48Å; C351-F389 HydrophobicContact CB-CB 3.67Å; C351-F389 HydrophobicContact CB-CD2 3.68Å; C351-F389 HydrophobicContact CB-CG 3.95Å; C351-F389 WeakPolarHBondContact O-CD2 3.48Å; R353-F389 HydrophobicContact CG-CE2 4.17Å; R353-F389 HydrophobicContact CG-CZ 4.38Å; W386-F389 HydrophobicContact CB-CD2 3.73Å; W386-F389 HydrophobicContact CB-CE2 3.63Å; W386-F389 HydrophobicContact CG-CE2 4.16Å; W386-F389 PolarHBondContact O-N 2.86Å; P387-F389 PolarHBondContact O-N 2.88Å; F389-C391 VanDerWaalsContact C-N 3.34Å; F389-Y392 HydrophobicContact CD1-CD2 4.14Å; F389-Y392 PolarHBondContact O-N 2.87Å; F389-L393 WeakPolarHBondContact O-CB 3.28Å; F389-L393 WeakPolarHBondContact O-CD1 3.43Å; F389-L393 VanDerWaalsContact O-CG 3.26Å; F389-L393 WeakPolarHBondContact O-CG 3.32Å; F389-L393 PolarHBondContact O-N 3.49Å
390F98.2Very high95.7Very high2 Ų213 Ų131%0.0097%0.065CC..Hα-helixtrans-66.9-36.3164.5-68.5-17.4000111Q346 Y349 P387 Y392 L393 F394 Y409 C412 L413 V416Q346-F390 HydrophobicContact CG-CE1 3.89Å; Y349-F390 VanDerWaalsContact C-CE2 3.46Å; P387-F390 WeakPolarHBondContact O-CB 3.48Å; P387-F390 PolarHBondContact O-N 2.93Å; F390-Y392 PolarHBondContact O-N 3.41Å; F390-L393 PolarHBondContact O-N 2.81Å; F390-F394 WeakPolarHBondContact O-CB 3.47Å; F390-F394 PolarHBondContact O-N 3.21Å; F390-Y409 HydrophobicContact CD1-CD1 4.04Å; F390-Y409 HydrophobicContact CD1-CE1 4.33Å; F390-C412 HydrophobicContact CD2-CB 3.83Å; F390-C412 HydrophobicContact CE2-CB 3.74Å; F390-C412 HydrophobicContact CG-CB 4.41Å; F390-C412 HydrophobicContact CZ-CB 4.26Å; F390-L413 HydrophobicContact CB-CD2 3.74Å; F390-L413 HydrophobicContact CB-CG 3.9Å; F390-V416 HydrophobicContact CD2-CG2 4.21Å; F390-V416 HydrophobicContact CE2-CG1 4.37Å
391C98Very high95.7Very high0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-61-43.6171.8-54.30000111.7P387 L388 F389 I395 A461 L464P387-C391 PolarHBondContact O-N 3.33Å; L388-C391 VanDerWaalsContact O-CB 3.3Å; L388-C391 WeakPolarHBondContact O-CB 3.5Å; L388-C391 PolarHBondContact O-N 3.1Å; F389-C391 VanDerWaalsContact C-N 3.34Å; C391-I395 WeakPolarHBondContact O-CG1 3.5Å; C391-I395 PolarHBondContact O-N 3.31Å; C391-I395 VanDerWaalsContact O-N 3.09Å; C391-A461 PolarHBondContact SG-O 3.04Å; C391-L464 HydrophobicContact CB-CB 3.8Å
392Y97.9Very high96Very high3 Ų316.7 Ų16.71%0.0129%0.086CC..Hα-helixtrans-62.9-46.8174-84.1-72000112.7Y51 L318 Y323 L388 F389 F390 F394 I395 D396 W460 L464Y51-Y392 WeakPolarHBondContact CE1-OH 3.43Å; Y51-Y392 PolarHBondContact OH-OH 2.95Å; L318-Y392 HydrophobicContact CB-CD1 4.39Å; L318-Y392 HydrophobicContact CB-CG 4.14Å; Y323-Y392 VanDerWaalsContact O-CE1 3.31Å; Y323-Y392 WeakPolarHBondContact O-CE1 3.46Å; L388-Y392 HydrophobicContact CD1-CD2 4.25Å; L388-Y392 HydrophobicContact CD1-CE2 3.86Å; L388-Y392 HydrophobicContact CD2-CE2 4.32Å; L388-Y392 HydrophobicContact CG-CD2 4.08Å; L388-Y392 HydrophobicContact CG-CE2 3.92Å; L388-Y392 WeakPolarHBondContact O-CD2 3.49Å; L388-Y392 PolarHBondContact O-N 3.49Å; L388-Y392 VanDerWaalsContact O-N 3.1Å; F389-Y392 HydrophobicContact CD1-CD2 4.14Å; F389-Y392 PolarHBondContact O-N 2.87Å; F390-Y392 PolarHBondContact O-N 3.41Å; Y392-F394 VanDerWaalsContact C-N 3.34Å; Y392-F394 PolarHBondContact O-N 3.35Å; Y392-I395 PolarHBondContact O-N 3Å; Y392-D396 VanDerWaalsContact O-CB 3.23Å; Y392-D396 WeakPolarHBondContact O-CB 3.26Å; Y392-D396 PolarHBondContact O-N 2.73Å; Y392-W460 HydrophobicContact CE2-CZ2 4.14Å; Y392-W460 AromaticContact CE2-NE1 3.93Å; Y392-W460 AromaticContact CZ-NE1 3.81Å; Y392-W460 WeakPolarHBondContact OH-CZ2 3.47Å; Y392-W460 PolarHBondContact OH-NE1 3.34Å; Y392-L464 HydrophobicContact CD1-CD1 4.27Å; Y392-L464 HydrophobicContact CD2-CD1 4.04Å; Y392-L464 HydrophobicContact CE1-CD1 3.85Å; Y392-L464 HydrophobicContact CE2-CD1 3.6Å; Y392-L464 HydrophobicContact CG-CD1 4.35Å; Y392-L464 VanDerWaalsContact CZ-CD1 3.49Å
393L97.8Very high96Very high1 Ų121.2 Ų21.21%0.00511%0.108CC..Hα-helixtrans-68.2-31.7-178.9-73.2164.7000112.8L318 V342 F389 F390 A397 Y409L318-L393 HydrophobicContact CD1-CD1 4.38Å; L318-L393 HydrophobicContact CD1-CD2 4.24Å; L318-L393 HydrophobicContact CD1-CG 3.91Å; L318-L393 HydrophobicContact CD2-CD2 3.82Å; L318-L393 HydrophobicContact CD2-CG 4.39Å; V342-L393 HydrophobicContact CG2-CD1 4.42Å; V342-L393 HydrophobicContact CG2-CD2 4.19Å; F389-L393 WeakPolarHBondContact O-CB 3.28Å; F389-L393 WeakPolarHBondContact O-CD1 3.43Å; F389-L393 VanDerWaalsContact O-CG 3.26Å; F389-L393 WeakPolarHBondContact O-CG 3.32Å; F389-L393 PolarHBondContact O-N 3.49Å; F390-L393 PolarHBondContact O-N 2.81Å; L393-A397 WeakPolarHBondContact O-CB 3.37Å; L393-A397 PolarHBondContact O-N 3.5Å; L393-Y409 HydrophobicContact CB-CD1 3.97Å; L393-Y409 HydrophobicContact CB-CD2 3.73Å; L393-Y409 HydrophobicContact CB-CE1 3.91Å; L393-Y409 HydrophobicContact CB-CE2 3.67Å; L393-Y409 HydrophobicContact CB-CG 3.89Å; L393-Y409 HydrophobicContact CD1-CD1 4.41Å; L393-Y409 HydrophobicContact CD1-CE1 3.75Å; L393-Y409 HydrophobicContact CD2-CE2 4.45Å; L393-Y409 HydrophobicContact CG-CE1 4.38Å; L393-Y409 HydrophobicContact CG-CE2 4.46Å
394F97.7Very high96.1Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-65.6-50171.4175.7-135000111.6F390 Y392 A397 H398 A406 R410 L413 G468 E472F390-F394 WeakPolarHBondContact O-CB 3.47Å; F390-F394 PolarHBondContact O-N 3.21Å; Y392-F394 VanDerWaalsContact C-N 3.34Å; Y392-F394 PolarHBondContact O-N 3.35Å; F394-A397 PolarHBondContact O-N 3.31Å; F394-H398 AromaticContact CD2-NE2 3.84Å; F394-H398 AromaticContact CE2-CD2 3.83Å; F394-H398 AromaticContact CE2-NE2 3.24Å; F394-H398 WeakPolarHBondContact CE2-NE2 3.47Å; F394-H398 AromaticContact CZ-NE2 3.74Å; F394-H398 PolarHBondContact O-CD2 3.22Å; F394-H398 VanDerWaalsContact O-CD2 3.27Å; F394-H398 PolarHBondContact O-N 3.4Å; F394-A406 WeakPolarHBondContact CD2-O 3.48Å; F394-R410 HydrophobicContact CD2-CB 4.39Å; F394-R410 HydrophobicContact CE2-CB 3.98Å; F394-L413 HydrophobicContact CB-CD1 3.8Å; F394-L413 HydrophobicContact CD1-CD1 3.64Å; F394-L413 HydrophobicContact CE1-CD1 4.38Å; F394-L413 HydrophobicContact CG-CD1 3.85Å; F394-G468 VanDerWaalsContact CE1-C 3.49Å; F394-E472 HydrophobicContact CZ-CB 4.1Å; F394-E472 HydrophobicContact CZ-CG 4.43Å
395I96.5Very high96.1Very high1 Ų133.7 Ų33.71%0.00516%0.164CC..Hα-helixtrans-61.3-45.3174.7-70.3169.8000111Y323 C391 Y392 A397 H398 F399 L464 L467Y323-I395 HydrophobicContact CD1-CG2 4.27Å; Y323-I395 HydrophobicContact CG-CG2 4.01Å; C391-I395 WeakPolarHBondContact O-CG1 3.5Å; C391-I395 PolarHBondContact O-N 3.31Å; C391-I395 VanDerWaalsContact O-N 3.09Å; Y392-I395 PolarHBondContact O-N 3Å; I395-A397 VanDerWaalsContact C-N 3.32Å; I395-A397 PolarHBondContact O-N 2.73Å; I395-H398 PolarHBondContact O-N 3.14Å; I395-H398 VanDerWaalsContact O-N 3.13Å; I395-F399 HydrophobicContact CG2-CD2 3.59Å; I395-F399 HydrophobicContact CG2-CE2 3.59Å; I395-F399 WeakPolarHBondContact O-CD2 3.39Å; I395-F399 PolarHBondContact O-N 3.45Å; I395-L464 HydrophobicContact CD1-CB 4Å; I395-L464 HydrophobicContact CD1-CD2 3.95Å; I395-L464 HydrophobicContact CD1-CG 4.5Å; I395-L467 HydrophobicContact CD1-CD2 4.18Å; I395-L467 HydrophobicContact CD1-CG 4.37Å
396D95.7Very high96Very high9 Ų933.6 Ų33.65%0.04816%0.164CC..Hα-helixtrans-58.8-41.5177.1178.570.8000111.9S322 R338 Y392 H398 F399 N400S322-D396 WeakPolarHBondContact CB-OD1 3.35Å; S322-D396 WeakPolarHBondContact OG-CB 3.45Å; S322-D396 PolarHBondContact OG-OD1 2.83Å; R338-D396 IonicContact CZ-OD1 2.62Å; R338-D396 IonicContact CZ-OD2 2.82Å; R338-D396 IonicContact NE-OD1 2.8Å; R338-D396 IonicContact NE-OD2 3.6Å; R338-D396 PolarHBondContact NE-OD2 2.92Å; R338-D396 IonicContact NH2-OD1 3.22Å; R338-D396 PolarHBondContact NH2-OD1 2.84Å; R338-D396 IonicContact NH2-OD2 3.15Å; R338-D396 PolarHBondContact NH2-OD2 2.66Å; R338-D396 VanDerWaalsContact NH2-OD2 3.15Å; Y392-D396 VanDerWaalsContact O-CB 3.23Å; Y392-D396 WeakPolarHBondContact O-CB 3.26Å; Y392-D396 PolarHBondContact O-N 2.73Å; D396-H398 VanDerWaalsContact C-N 3.31Å; D396-H398 PolarHBondContact O-N 3.28Å; D396-F399 PolarHBondContact O-N 3.26Å; D396-N400 VanDerWaalsContact CG-ND2 3.31Å; D396-N400 PolarHBondContact O-N 3.09Å; D396-N400 PolarHBondContact O-ND2 2.71Å; D396-N400 PolarHBondContact OD1-ND2 2.94Å; D396-N400 PolarHBondContact OD2-ND2 2.9Å
397A96.4Very high96Very high2 Ų239.5 Ų39.52%0.01719%0.19CC..Hα-helixtrans-60.6-39.7175.500000112.3L393 F394 I395 N401 N402 K405 A406L393-A397 WeakPolarHBondContact O-CB 3.37Å; L393-A397 PolarHBondContact O-N 3.5Å; F394-A397 PolarHBondContact O-N 3.31Å; I395-A397 VanDerWaalsContact C-N 3.32Å; I395-A397 PolarHBondContact O-N 2.73Å; A397-N401 PolarHBondContact O-N 3.14Å; A397-N402 PolarHBondContact O-N 3.05Å; A397-K405 HydrophobicContact CB-CB 3.73Å; A397-A406 HydrophobicContact CB-CB 3.98Å; A397-A406 VanDerWaalsContact CB-N 3.34Å
398H95.2Very high96Very high18 Ų1844.4 Ų44.48%0.08321%0.211CC..Hα-helixtrans-66.1-43.9172.9-74.8-71.5000112.7F394 I395 D396 N400 N401 I471 L478F394-H398 AromaticContact CD2-NE2 3.84Å; F394-H398 AromaticContact CE2-CD2 3.83Å; F394-H398 AromaticContact CE2-NE2 3.24Å; F394-H398 WeakPolarHBondContact CE2-NE2 3.47Å; F394-H398 AromaticContact CZ-NE2 3.74Å; F394-H398 PolarHBondContact O-CD2 3.22Å; F394-H398 VanDerWaalsContact O-CD2 3.27Å; F394-H398 PolarHBondContact O-N 3.4Å; I395-H398 PolarHBondContact O-N 3.14Å; I395-H398 VanDerWaalsContact O-N 3.13Å; D396-H398 VanDerWaalsContact C-N 3.31Å; D396-H398 PolarHBondContact O-N 3.28Å; H398-N400 VanDerWaalsContact C-N 3.3Å; H398-N400 PolarHBondContact O-N 2.99Å; H398-N401 PolarHBondContact O-N 3.23Å; H398-I471 HydrophobicContact CB-CG2 3.89Å; H398-L478 HydrophobicContact CB-CD2 4.34Å
399F92.4Very high96Very high30 Ų3045 Ų4513%0.13221%0.214CC..Hα-helixtrans-63.6-33.1177.1-85.8-78.1000113.2Y323 F326 I395 D396 N401 L478 R487Y323-F399 AromaticContact CD2-CE2 3.65Å; Y323-F399 HydrophobicContact CD2-CE2 3.65Å; Y323-F399 AromaticContact CD2-CZ 3.73Å; Y323-F399 HydrophobicContact CD2-CZ 3.73Å; Y323-F399 HydrophobicContact CE2-CZ 4.46Å; Y323-F399 AromaticContact CG-CE2 3.95Å; Y323-F399 HydrophobicContact CG-CE2 3.95Å; Y323-F399 HydrophobicContact CG-CZ 4.47Å; F326-F399 HydrophobicContact CE1-CB 4.38Å; F326-F399 HydrophobicContact CE1-CD1 4.07Å; F326-F399 HydrophobicContact CE1-CG 4.08Å; F326-F399 HydrophobicContact CE2-CE1 4.23Å; F326-F399 HydrophobicContact CE2-CZ 4.34Å; F326-F399 AromaticContact CZ-CD1 3.6Å; F326-F399 HydrophobicContact CZ-CD1 3.6Å; F326-F399 AromaticContact CZ-CD2 3.97Å; F326-F399 HydrophobicContact CZ-CD2 3.97Å; F326-F399 AromaticContact CZ-CE1 3.62Å; F326-F399 HydrophobicContact CZ-CE1 3.62Å; F326-F399 AromaticContact CZ-CE2 3.98Å; F326-F399 HydrophobicContact CZ-CE2 3.98Å; F326-F399 AromaticContact CZ-CG 3.79Å; F326-F399 HydrophobicContact CZ-CG 3.79Å; F326-F399 AromaticContact CZ-CZ 3.82Å; F326-F399 HydrophobicContact CZ-CZ 3.82Å; I395-F399 HydrophobicContact CG2-CD2 3.59Å; I395-F399 HydrophobicContact CG2-CE2 3.59Å; I395-F399 WeakPolarHBondContact O-CD2 3.39Å; I395-F399 PolarHBondContact O-N 3.45Å; D396-F399 PolarHBondContact O-N 3.26Å; F399-N401 VanDerWaalsContact C-N 3.28Å; F399-L478 HydrophobicContact CD1-CB 4.28Å; F399-L478 HydrophobicContact CD1-CD1 4.26Å; F399-L478 HydrophobicContact CD1-CD2 4.02Å; F399-L478 HydrophobicContact CD1-CG 4.42Å; F399-L478 HydrophobicContact CD2-CD2 3.96Å; F399-L478 HydrophobicContact CE1-CB 3.85Å; F399-L478 HydrophobicContact CE1-CD2 3.88Å; F399-L478 HydrophobicContact CE1-CG 4.33Å; F399-L478 HydrophobicContact CE2-CD2 3.82Å; F399-L478 HydrophobicContact CG-CD2 4.06Å; F399-L478 HydrophobicContact CZ-CB 4.31Å; F399-L478 HydrophobicContact CZ-CD2 3.78Å; F399-R487 HydrophobicContact CD1-CB 4.12Å; F399-R487 HydrophobicContact CE1-CB 4.38Å
400N90.9Very high96Very high90 Ų9046.6 Ų46.648%0.48122%0.22SC..THydrogen-bonded Turntrans-86.27.7173-65.4-86.3000113.4R338 D396 H398 N402R338-N400 PolarHBondContact NH2-ND2 3.23Å; D396-N400 VanDerWaalsContact CG-ND2 3.31Å; D396-N400 PolarHBondContact O-N 3.09Å; D396-N400 PolarHBondContact O-ND2 2.71Å; D396-N400 PolarHBondContact OD1-ND2 2.94Å; D396-N400 PolarHBondContact OD2-ND2 2.9Å; H398-N400 VanDerWaalsContact C-N 3.3Å; H398-N400 PolarHBondContact O-N 2.99Å; N400-N402 PolarHBondContact O-N 3.45Å; N400-N402 VanDerWaalsContact O-N 3.11Å
401N91.5Very high95.9Very high121 Ų12151.1 Ų51.165%0.64724%0.244SC*.THydrogen-bonded Turntrans5129-175.5-164.326.1000114.8A397 H398 F399 Q403A397-N401 PolarHBondContact O-N 3.14Å; H398-N401 PolarHBondContact O-N 3.23Å; F399-N401 VanDerWaalsContact C-N 3.28Å; N401-Q403 PolarHBondContact O-N 3.46Å; N401-Q403 PolarHBondContact OD1-NE2 2.91Å
402N95Very high95.9Very high58 Ų5852.1 Ų52.131%0.3125%0.251SS..  trans-91.987.6-179.9-168.6-48000110.3A397 N400 E404 K405 A406A397-N402 PolarHBondContact O-N 3.05Å; N400-N402 PolarHBondContact O-N 3.45Å; N400-N402 VanDerWaalsContact O-N 3.11Å; N402-E404 PolarHBondContact O-N 3.37Å; N402-E404 PolarHBondContact OD1-N 3.01Å; N402-K405 HydrophobicContact CB-CB 4.29Å; N402-K405 PolarHBondContact O-N 3.33Å; N402-K405 WeakPolarHBondContact OD1-CB 3.33Å; N402-K405 WeakPolarHBondContact OD1-CG 3.35Å; N402-K405 PolarHBondContact OD1-N 3.18Å; N402-A406 PolarHBondContact O-N 3.28Å
403Q93.8Very high95.8Very high96 Ų9652 Ų5245%0.44925%0.25SS..Hα-helixtrans-63.5-25.5-176.6-59.9-64.1-30.700113.7N401 K407N401-Q403 PolarHBondContact O-N 3.46Å; N401-Q403 PolarHBondContact OD1-NE2 2.91Å; Q403-K407 WeakPolarHBondContact O-CG 3.34Å; Q403-K407 PolarHBondContact O-N 3.14Å
404E97Very high95.7Very high164 Ų16455.7 Ų55.777%0.76627%0.27SS*.Hα-helixtrans-73.1-48.2176.5-63.3-178.4160.300110.9N402 A406 K407 F408N402-E404 PolarHBondContact O-N 3.37Å; N402-E404 PolarHBondContact OD1-N 3.01Å; E404-A406 VanDerWaalsContact C-N 3.33Å; E404-A406 PolarHBondContact O-N 2.93Å; E404-K407 PolarHBondContact O-N 3.48Å; E404-F408 WeakPolarHBondContact O-CB 3.44Å; E404-F408 PolarHBondContact O-N 3.13Å
405K95.9Very high95.5Very high100 Ų10062.9 Ų62.944%0.43530%0.304SS..Hα-helixtrans-65.9-35.2175.1-72.5-170.4176.1-169.30112.4A397 N402 F408 Y409A397-K405 HydrophobicContact CB-CB 3.73Å; N402-K405 HydrophobicContact CB-CB 4.29Å; N402-K405 PolarHBondContact O-N 3.33Å; N402-K405 WeakPolarHBondContact OD1-CB 3.33Å; N402-K405 WeakPolarHBondContact OD1-CG 3.35Å; N402-K405 PolarHBondContact OD1-N 3.18Å; K405-F408 PolarHBondContact O-N 3.14Å; K405-Y409 HydrophobicContact CB-CD2 4.34Å; K405-Y409 HydrophobicContact CB-CE2 4.2Å; K405-Y409 WeakPolarHBondContact O-CD2 3.4Å; K405-Y409 PolarHBondContact O-N 3.45Å
406A96Very high95.5Very high1 Ų163 Ų631%0.00830%0.304CS..Hα-helixtrans-59.1-51.4174.700000110.4F394 A397 N402 E404 F408 Y409 R410F394-A406 WeakPolarHBondContact CD2-O 3.48Å; A397-A406 HydrophobicContact CB-CB 3.98Å; A397-A406 VanDerWaalsContact CB-N 3.34Å; N402-A406 PolarHBondContact O-N 3.28Å; E404-A406 VanDerWaalsContact C-N 3.33Å; E404-A406 PolarHBondContact O-N 2.93Å; A406-F408 VanDerWaalsContact C-N 3.35Å; A406-F408 PolarHBondContact O-N 2.9Å; A406-Y409 PolarHBondContact O-N 3.25Å; A406-R410 WeakPolarHBondContact O-CB 3.36Å; A406-R410 PolarHBondContact O-N 3.25Å
407K97.1Very high95.5Very high133 Ų13363.7 Ų63.758%0.57831%0.309SS*.Hα-helixtrans-63.4-35.6175.5-71.1173.5-178.2179.20113.6Q403 E404 N411Q403-K407 WeakPolarHBondContact O-CG 3.34Å; Q403-K407 PolarHBondContact O-N 3.14Å; E404-K407 PolarHBondContact O-N 3.48Å; K407-N411 WeakPolarHBondContact O-CB 3.35Å; K407-N411 PolarHBondContact O-N 3.43Å; K407-N411 PolarHBondContact O-ND2 2.74Å
408F97.6Very high95.3Very high103 Ų10366.3 Ų66.345%0.45232%0.322SS..Hα-helixtrans-62.3-56.4175.3177.2-96.6000111.1E404 K405 A406 R410 N411 C412E404-F408 WeakPolarHBondContact O-CB 3.44Å; E404-F408 PolarHBondContact O-N 3.13Å; K405-F408 PolarHBondContact O-N 3.14Å; A406-F408 VanDerWaalsContact C-N 3.35Å; A406-F408 PolarHBondContact O-N 2.9Å; F408-R410 VanDerWaalsContact C-N 3.29Å; F408-R410 PolarHBondContact O-N 3.3Å; F408-N411 PolarHBondContact O-N 3.36Å; F408-N411 VanDerWaalsContact O-N 3.16Å; F408-C412 PolarHBondContact O-N 2.91Å; F408-C412 PolarHBondContact O-SG 2.99Å; F408-C412 VanDerWaalsContact O-SG 3.35Å
409Y97.8Very high95.1Very high12 Ų1272.1 Ų72.15%0.04735%0.347CS..Hα-helixtrans-68.3-28.1179.9-65.6-61.3000112.7Q346 F390 L393 K405 A406 C412 L413Q346-Y409 PolarHBondContact OE1-OH 2.95Å; F390-Y409 HydrophobicContact CD1-CD1 4.04Å; F390-Y409 HydrophobicContact CD1-CE1 4.33Å; L393-Y409 HydrophobicContact CB-CD1 3.97Å; L393-Y409 HydrophobicContact CB-CD2 3.73Å; L393-Y409 HydrophobicContact CB-CE1 3.91Å; L393-Y409 HydrophobicContact CB-CE2 3.67Å; L393-Y409 HydrophobicContact CB-CG 3.89Å; L393-Y409 HydrophobicContact CD1-CD1 4.41Å; L393-Y409 HydrophobicContact CD1-CE1 3.75Å; L393-Y409 HydrophobicContact CD2-CE2 4.45Å; L393-Y409 HydrophobicContact CG-CE1 4.38Å; L393-Y409 HydrophobicContact CG-CE2 4.46Å; K405-Y409 HydrophobicContact CB-CD2 4.34Å; K405-Y409 HydrophobicContact CB-CE2 4.2Å; K405-Y409 WeakPolarHBondContact O-CD2 3.4Å; K405-Y409 PolarHBondContact O-N 3.45Å; A406-Y409 PolarHBondContact O-N 3.25Å; Y409-C412 PolarHBondContact O-N 2.95Å; Y409-L413 WeakPolarHBondContact O-CB 3.42Å; Y409-L413 VanDerWaalsContact O-CG 3.27Å; Y409-L413 WeakPolarHBondContact O-CG 3.45Å; Y409-L413 PolarHBondContact O-N 3.36Å
410R96.9Very high94.8Very high34 Ų3475 Ų7513%0.12836%0.357CS..Hα-helixtrans-57-54.5167178.470.9-148.5-168.627.1111.5F394 A406 F408 C412 L413 D414 Y465 C469 E472F394-R410 HydrophobicContact CD2-CB 4.39Å; F394-R410 HydrophobicContact CE2-CB 3.98Å; A406-R410 WeakPolarHBondContact O-CB 3.36Å; A406-R410 PolarHBondContact O-N 3.25Å; F408-R410 VanDerWaalsContact C-N 3.29Å; F408-R410 PolarHBondContact O-N 3.3Å; R410-C412 VanDerWaalsContact C-N 3.26Å; R410-C412 PolarHBondContact O-N 2.93Å; R410-L413 WeakPolarHBondContact O-CB 3.44Å; R410-L413 PolarHBondContact O-N 3.41Å; R410-L413 VanDerWaalsContact O-N 3.09Å; R410-D414 IonicContact CZ-OD1 3.98Å; R410-D414 IonicContact CZ-OD2 3.65Å; R410-D414 IonicContact NE-OD1 2.81Å; R410-D414 PolarHBondContact NE-OD1 3.22Å; R410-D414 IonicContact NE-OD2 3.44Å; R410-D414 PolarHBondContact NE-OD2 3.04Å; R410-D414 IonicContact NH2-OD1 3.79Å; R410-D414 PolarHBondContact NH2-OD1 3.21Å; R410-D414 IonicContact NH2-OD2 3.73Å; R410-D414 PolarHBondContact O-N 3.22Å; R410-Y465 PolarHBondContact NH2-OH 2.83Å; R410-C469 PolarHBondContact NH1-SG 3.35Å; R410-E472 WeakPolarHBondContact CD-OE1 3.45Å; R410-E472 WeakPolarHBondContact CD-OE2 3.47Å; R410-E472 IonicContact CZ-OE2 3.05Å; R410-E472 IonicContact NE-OE2 3.78Å; R410-E472 IonicContact NH1-OE2 3.72Å; R410-E472 PolarHBondContact NH1-OE2 3.25Å
411N97.2Very high94.3Very high98 Ų9880.1 Ų80.152%0.52438%0.378SS..Hα-helixtrans-62.4-32.2178.9-68.7-17.2000112.4K407 F408 Q415K407-N411 WeakPolarHBondContact O-CB 3.35Å; K407-N411 PolarHBondContact O-N 3.43Å; K407-N411 PolarHBondContact O-ND2 2.74Å; F408-N411 PolarHBondContact O-N 3.36Å; F408-N411 VanDerWaalsContact O-N 3.16Å; N411-Q415 WeakPolarHBondContact O-CG 3.34Å; N411-Q415 PolarHBondContact O-NE2 2.86Å
412C97Very high93.8Very high20 Ų2076.1 Ų76.114%0.13536%0.357CS..Hα-helixtrans-68-46171.3-64.80000111.6F390 F408 Y409 R410 D414 Q415 V416F390-C412 HydrophobicContact CD2-CB 3.83Å; F390-C412 HydrophobicContact CE2-CB 3.74Å; F390-C412 HydrophobicContact CG-CB 4.41Å; F390-C412 HydrophobicContact CZ-CB 4.26Å; F408-C412 PolarHBondContact O-N 2.91Å; F408-C412 PolarHBondContact O-SG 2.99Å; F408-C412 VanDerWaalsContact O-SG 3.35Å; Y409-C412 PolarHBondContact O-N 2.95Å; R410-C412 VanDerWaalsContact C-N 3.26Å; R410-C412 PolarHBondContact O-N 2.93Å; C412-D414 PolarHBondContact O-N 3Å; C412-Q415 WeakPolarHBondContact O-CB 3.49Å; C412-Q415 PolarHBondContact O-N 2.84Å; C412-Q415 VanDerWaalsContact O-N 3.12Å; C412-V416 PolarHBondContact O-N 2.8Å
413L96.7Very high93.4Very high0 Ų077.9 Ų77.90%037%0.366CS..Hα-helixtrans-58.5-46.2176.6-76.6163.3000111.6F390 F394 Y409 R410 Q415 V416 V417 Y465F390-L413 HydrophobicContact CB-CD2 3.74Å; F390-L413 HydrophobicContact CB-CG 3.9Å; F394-L413 HydrophobicContact CB-CD1 3.8Å; F394-L413 HydrophobicContact CD1-CD1 3.64Å; F394-L413 HydrophobicContact CE1-CD1 4.38Å; F394-L413 HydrophobicContact CG-CD1 3.85Å; Y409-L413 WeakPolarHBondContact O-CB 3.42Å; Y409-L413 VanDerWaalsContact O-CG 3.27Å; Y409-L413 WeakPolarHBondContact O-CG 3.45Å; Y409-L413 PolarHBondContact O-N 3.36Å; R410-L413 WeakPolarHBondContact O-CB 3.44Å; R410-L413 PolarHBondContact O-N 3.41Å; R410-L413 VanDerWaalsContact O-N 3.09Å; L413-Q415 PolarHBondContact O-N 3.03Å; L413-Q415 VanDerWaalsContact O-N 3.09Å; L413-V416 PolarHBondContact O-N 2.98Å; L413-V417 VanDerWaalsContact O-CB 3.28Å; L413-V417 WeakPolarHBondContact O-CB 3.48Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.05Å; L413-Y465 HydrophobicContact CB-CE2 4.37Å; L413-Y465 HydrophobicContact CD1-CD2 4.26Å; L413-Y465 HydrophobicContact CD2-CD2 4.39Å
414D94.9Very high93.2Very high80 Ų8073.4 Ų73.443%0.42835%0.345SS..Hα-helixtrans-65.4-11.9178.9-67.7-39.1000113.9R410 C412R410-D414 IonicContact CZ-OD1 3.98Å; R410-D414 IonicContact CZ-OD2 3.65Å; R410-D414 IonicContact NE-OD1 2.81Å; R410-D414 PolarHBondContact NE-OD1 3.22Å; R410-D414 IonicContact NE-OD2 3.44Å; R410-D414 PolarHBondContact NE-OD2 3.04Å; R410-D414 IonicContact NH2-OD1 3.79Å; R410-D414 PolarHBondContact NH2-OD1 3.21Å; R410-D414 IonicContact NH2-OD2 3.73Å; R410-D414 PolarHBondContact O-N 3.22Å; C412-D414 PolarHBondContact O-N 3Å
415Q94.4Very high93.1Very high151 Ų15166.4 Ų66.471%0.70631%0.314SS*.Hα-helixtrans-94.3-22.9171.7-73.1169.470.200114N411 C412 L413N411-Q415 WeakPolarHBondContact O-CG 3.34Å; N411-Q415 PolarHBondContact O-NE2 2.86Å; C412-Q415 WeakPolarHBondContact O-CB 3.49Å; C412-Q415 PolarHBondContact O-N 2.84Å; C412-Q415 VanDerWaalsContact O-N 3.12Å; L413-Q415 PolarHBondContact O-N 3.03Å; L413-Q415 VanDerWaalsContact O-N 3.09Å
416V95.5Very high93Very high2 Ų262.3 Ų62.31%0.01230%0.297CS..Hα-helixtrans-110.26.3-175.4-51.70000113.2Y349 P387 F390 C412 L413 Y431Y349-V416 HydrophobicContact CD1-CG1 4.26Å; P387-V416 HydrophobicContact CB-CG2 3.92Å; P387-V416 HydrophobicContact CG-CB 4.47Å; P387-V416 HydrophobicContact CG-CG2 4.17Å; F390-V416 HydrophobicContact CD2-CG2 4.21Å; F390-V416 HydrophobicContact CE2-CG1 4.37Å; C412-V416 PolarHBondContact O-N 2.8Å; L413-V416 PolarHBondContact O-N 2.98Å; V416-Y431 HydrophobicContact CB-CE2 4Å; V416-Y431 PolarHBondContact O-OH 3.38Å; V416-Y431 VanDerWaalsContact O-OH 3.05Å
417V95.5Very high93.1Very high25 Ų2562.2 Ų62.215%0.15230%0.296CS..PPolyproline II helixtrans-97.6128.7178.5158.60000109.8L413 P425 V427 Y465L413-V417 VanDerWaalsContact O-CB 3.28Å; L413-V417 WeakPolarHBondContact O-CB 3.48Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.05Å; V417-P425 HydrophobicContact CG1-CB 3.27Å; V417-V427 HydrophobicContact CG2-CG2 4.11Å; V417-Y465 HydrophobicContact CG2-CE2 4.41Å
418I94.1Very high93Very high57 Ų5756 Ų5629%0.29227%0.269SS..EExtended strand (participates in β ladder)trans-86.8134.4-179.1-49.3172.2000108.8I426 P428 P452I418-I426 PolarHBondContact N-O 2.88Å; I418-I426 PolarHBondContact O-N 2.99Å; I418-P428 HydrophobicContact CD1-CB 3.98Å; I418-P428 HydrophobicContact CD1-CG 4.02Å; I418-P428 HydrophobicContact CG1-CG 4.37Å; I418-P452 HydrophobicContact CD1-CB 3.65Å; I418-P452 HydrophobicContact CD1-CG 3.72Å; I418-P452 HydrophobicContact CG1-CB 4.48Å; I418-P452 HydrophobicContact CG1-CG 4.4Å
419K90.1Very high92.9Very high140 Ų14051.7 Ų51.761%0.60925%0.251SS*.EExtended strand (participates in β ladder)trans-82.6127.1170.8-78.4165.3166.6-92.30110.5D423K419-D423 VanDerWaalsContact CD-OD1 3.3Å; K419-D423 WeakPolarHBondContact CD-OD1 3.4Å; K419-D423 WeakPolarHBondContact CG-OD1 3.39Å; K419-D423 IonicContact NZ-OD1 2.63Å; K419-D423 PolarHBondContact NZ-OD1 2.69Å; K419-D423 IonicContact NZ-OD2 3.99Å; K419-D423 PolarHBondContact NZ-OD2 3.32Å
420R85Confident92.8Very high91 Ų9151.1 Ų51.134%0.34325%0.248SC..PPolyproline II helixtrans-75.4165.4169.1-156.7-172.6179.6161.91.8110.7K20 D422 D423 L424 I426K20-R420 PolarHBondContact O-NH1 3.32Å; R420-D422 WeakPolarHBondContact CD-OD1 3.27Å; R420-D422 PolarHBondContact O-N 3.12Å; R420-D423 WeakPolarHBondContact O-CA 3.47Å; R420-D423 PolarHBondContact O-N 3.27Å; R420-L424 PolarHBondContact N-O 2.88Å; R420-I426 HydrophobicContact CB-CD1 3.84Å; R420-I426 HydrophobicContact CG-CD1 3.9Å
421E80.6Confident92.8Very high197 Ų19750.3 Ų50.392%0.92125%0.245SC*.THydrogen-bonded Turntrans-45.1-32.5171.7-59.1175.7146.400115
422D81.7Confident92.8Very high37 Ų3745.8 Ų45.820%0.19822%0.222CC..THydrogen-bonded Turntrans-10227.1179.784.3-59.3000114.1R16 K20 R420 L424R16-D422 IonicContact CZ-OD2 3.77Å; R16-D422 IonicContact NE-OD2 2.71Å; R16-D422 PolarHBondContact NE-OD2 3.34Å; R16-D422 PolarHBondContact NH2-O 3.21Å; R16-D422 IonicContact NH2-OD2 3.92Å; R16-D422 PolarHBondContact NH2-OD2 3.08Å; K20-D422 WeakPolarHBondContact CD-OD2 3.48Å; K20-D422 WeakPolarHBondContact CE-OD2 3.44Å; K20-D422 IonicContact NZ-OD2 2.94Å; K20-D422 PolarHBondContact NZ-OD2 2.97Å; R420-D422 WeakPolarHBondContact CD-OD1 3.27Å; R420-D422 PolarHBondContact O-N 3.12Å; D422-L424 PolarHBondContact O-N 3.49Å; D422-L424 WeakPolarHBondContact OD2-CD1 3.45Å
423D86.8Confident92.6Very high95 Ų9545 Ų4551%0.50822%0.216SC..SBendtrans56.119.2-179.3-151.341000116.1K419 R420K419-D423 VanDerWaalsContact CD-OD1 3.3Å; K419-D423 WeakPolarHBondContact CD-OD1 3.4Å; K419-D423 WeakPolarHBondContact CG-OD1 3.39Å; K419-D423 IonicContact NZ-OD1 2.63Å; K419-D423 PolarHBondContact NZ-OD1 2.69Å; K419-D423 IonicContact NZ-OD2 3.99Å; K419-D423 PolarHBondContact NZ-OD2 3.32Å; R420-D423 WeakPolarHBondContact O-CA 3.47Å; R420-D423 PolarHBondContact O-N 3.27Å
424L89.7Confident92.4Very high1 Ų146.3 Ų46.31%0.00523%0.225CC..  trans-79.4136.1174.9-75.6178.1000111.8Y13 R16 A17 K20 R420 D422Y13-L424 HydrophobicContact CE2-CD2 3.94Å; R16-L424 HydrophobicContact CG-CD1 4.38Å; A17-L424 HydrophobicContact CB-CD2 3.97Å; K20-L424 HydrophobicContact CB-CD1 3.68Å; K20-L424 HydrophobicContact CD-CD1 3.74Å; K20-L424 HydrophobicContact CG-CD1 4.25Å; R420-L424 PolarHBondContact N-O 2.88Å; D422-L424 PolarHBondContact O-N 3.49Å; D422-L424 WeakPolarHBondContact OD2-CD1 3.45Å
425P93.7Very high92.2Very high17 Ų1750.1 Ų50.111%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-69.7131.7174.227.4-34.3000112Y13 V417 Q462 Y465Y13-P425 WeakPolarHBondContact OH-CD 3.44Å; V417-P425 HydrophobicContact CG1-CB 3.27Å; P425-Q462 PolarHBondContact O-NE2 3.11Å; P425-Y465 HydrophobicContact CB-CE1 3.8Å; P425-Y465 HydrophobicContact CG-CE1 3.75Å
426I95.3Very high92.1Very high14 Ų1451.3 Ų51.37%0.07225%0.246CC..EExtended strand (participates in β ladder)trans-121.6126.5174.8-74.1177000109.6T21 I418 R420 A456 P457T21-I426 HydrophobicContact CG2-CG1 4.26Å; I418-I426 PolarHBondContact N-O 2.88Å; I418-I426 PolarHBondContact O-N 2.99Å; R420-I426 HydrophobicContact CB-CD1 3.84Å; R420-I426 HydrophobicContact CG-CD1 3.9Å; I426-A456 HydrophobicContact CG2-CB 4.16Å; I426-P457 HydrophobicContact CG2-CB 3.96Å
427V96.5Very high91.9Very high0 Ų053.9 Ų53.90%026%0.26CS..  trans-87.8120.6167.5-166.20000109.2P387 V417 P457 F458 A461 Y465P387-V427 HydrophobicContact CB-CG1 3.66Å; P387-V427 HydrophobicContact CG-CG1 4.46Å; V417-V427 HydrophobicContact CG2-CG2 4.11Å; V427-P457 WeakPolarHBondContact O-CA 3.49Å; V427-F458 PolarHBondContact O-N 2.96Å; V427-A461 HydrophobicContact CB-CB 4.14Å; V427-A461 HydrophobicContact CG1-CB 3.67Å; V427-Y465 HydrophobicContact CG2-CD1 4.07Å; V427-Y465 HydrophobicContact CG2-CD2 4.46Å; V427-Y465 HydrophobicContact CG2-CG 3.79Å
428P96.1Very high91.7Very high1 Ų153 Ų531%0.00626%0.255CS..  trans-77.3166.5172.833-34.2000111.8P387 I418 Y431 P452 A455P387-P428 HydrophobicContact CG-CG 4.26Å; I418-P428 HydrophobicContact CD1-CB 3.98Å; I418-P428 HydrophobicContact CD1-CG 4.02Å; I418-P428 HydrophobicContact CG1-CG 4.37Å; P428-Y431 HydrophobicContact CG-CD2 4.19Å; P428-Y431 HydrophobicContact CG-CE2 3.53Å; P428-P452 HydrophobicContact CB-CB 4.04Å; P428-P452 HydrophobicContact CG-CB 3.99Å; P428-A455 CarbonylContact C-O 3.45Å; P428-A455 WeakPolarHBondContact CA-O 3.43Å
429E95.2Very high91.6Very high14 Ų1454.9 Ų54.97%0.06527%0.265CS..SBendtrans-61.1-56176.1-166.9-173.5145.400111.1R360 W386 G454 A455 F458R360-E429 IonicContact CZ-OE1 3.41Å; R360-E429 IonicContact CZ-OE2 2.69Å; R360-E429 IonicContact NE-OE1 3.81Å; R360-E429 VanDerWaalsContact NH2-CD 3.35Å; R360-E429 IonicContact NH2-OE1 3.28Å; R360-E429 PolarHBondContact NH2-OE1 3.39Å; R360-E429 IonicContact NH2-OE2 2.72Å; R360-E429 PolarHBondContact NH2-OE2 2.63Å; W386-E429 HydrophobicContact CE3-CG 4.4Å; W386-E429 VanDerWaalsContact CE3-O 3.23Å; W386-E429 HydrophobicContact CH2-CG 3.75Å; W386-E429 HydrophobicContact CZ3-CG 3.69Å; E429-G454 WeakPolarHBondContact OE2-CA 3.16Å; E429-A455 HydrophobicContact CB-CB 4.27Å; E429-A455 PolarHBondContact N-O 2.96Å; E429-A455 PolarHBondContact OE2-N 3Å; E429-F458 HydrophobicContact CB-CB 4.06Å; E429-F458 HydrophobicContact CB-CD1 4.46Å; E429-F458 HydrophobicContact CB-CG 4.21Å; E429-F458 HydrophobicContact CG-CD1 4.36Å; E429-F458 HydrophobicContact CG-CD2 4.43Å; E429-F458 HydrophobicContact CG-CG 4.24Å
430L96.4Very high91.7Very high0 Ų049.3 Ų49.30%025%0.245CC..EExtended strand (participates in β ladder)trans-157.8161.9-175.360.6101.8000113.3Y359 R360 C384 E385 W386 A432 T453Y359-L430 HydrophobicContact CD1-CD2 4.1Å; Y359-L430 HydrophobicContact CE1-CD2 3.84Å; R360-L430 HydrophobicContact CB-CD1 4.12Å; R360-L430 HydrophobicContact CG-CD2 4.45Å; C384-L430 HydrophobicContact CB-CB 4.33Å; C384-L430 HydrophobicContact CB-CD1 3.58Å; C384-L430 HydrophobicContact CB-CG 4.45Å; E385-L430 CarbonylContact O-C 3.12Å; E385-L430 WeakPolarHBondContact O-CA 3.3Å; W386-L430 HydrophobicContact CD2-CB 4.01Å; W386-L430 HydrophobicContact CG-CB 4.02Å; W386-L430 HydrophobicContact CH2-CD2 4.09Å; W386-L430 HydrophobicContact CZ2-CB 4.45Å; W386-L430 HydrophobicContact CZ2-CD2 3.44Å; W386-L430 VanDerWaalsContact CZ2-CD2 3.44Å; L430-A432 HydrophobicContact CD1-CB 4.34Å; L430-T453 HydrophobicContact CD1-CG2 3.37Å; L430-T453 HydrophobicContact CG-CG2 4.12Å; L430-T453 PolarHBondContact N-O 3.46Å; L430-T453 PolarHBondContact O-N 2.85Å; L430-T453 VanDerWaalsContact O-O 3.11Å
431Y97.1Very high92Very high16 Ų1645 Ų456%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-111128.5175.5-86-98.5000110.7Y349 C384 E385 P387 V416 P428 R450 F451 P452Y349-Y431 AromaticContact CD1-CD1 3.43Å; Y349-Y431 HydrophobicContact CD1-CD1 3.43Å; Y349-Y431 VanDerWaalsContact CD1-CD1 3.43Å; Y349-Y431 HydrophobicContact CD1-CD2 4.48Å; Y349-Y431 AromaticContact CD1-CE1 3.6Å; Y349-Y431 HydrophobicContact CD1-CE1 3.6Å; Y349-Y431 AromaticContact CD1-CG 3.91Å; Y349-Y431 HydrophobicContact CD1-CG 3.91Å; Y349-Y431 AromaticContact CE1-CD1 3.99Å; Y349-Y431 HydrophobicContact CE1-CD1 3.99Å; Y349-Y431 HydrophobicContact CE1-CE1 4.05Å; Y349-Y431 AromaticContact CG-CD1 3.9Å; Y349-Y431 HydrophobicContact CG-CD1 3.9Å; Y349-Y431 HydrophobicContact CG-CE1 4.47Å; Y349-Y431 AromaticContact CG-CG 3.96Å; Y349-Y431 HydrophobicContact CG-CG 3.96Å; C384-Y431 WeakPolarHBondContact CA-O 3.44Å; E385-Y431 PolarHBondContact N-O 2.92Å; E385-Y431 PolarHBondContact O-N 2.94Å; P387-Y431 HydrophobicContact CG-CD2 3.73Å; P387-Y431 HydrophobicContact CG-CE2 3.81Å; V416-Y431 HydrophobicContact CB-CE2 4Å; V416-Y431 PolarHBondContact O-OH 3.38Å; V416-Y431 VanDerWaalsContact O-OH 3.05Å; P428-Y431 HydrophobicContact CG-CD2 4.19Å; P428-Y431 HydrophobicContact CG-CE2 3.53Å; Y431-R450 HydrophobicContact CD1-CB 4.28Å; Y431-R450 WeakPolarHBondContact CD1-O 3.27Å; Y431-F451 WeakPolarHBondContact CA-O 3.31Å; Y431-P452 HydrophobicContact CD1-CB 4.38Å; Y431-P452 HydrophobicContact CE1-CB 3.96Å; Y431-P452 HydrophobicContact CE1-CG 4.25Å; Y431-P452 HydrophobicContact CE2-CB 4.22Å
432A95.5Very high92.4Very high4 Ų439.2 Ų39.23%0.03320%0.203CC..EExtended strand (participates in β ladder)trans-125.5158.5-174.300000112.6L430 R450 F451 T453L430-A432 HydrophobicContact CD1-CB 4.34Å; A432-R450 CarbonylContact O-C 3.53Å; A432-R450 WeakPolarHBondContact O-CA 3.34Å; A432-R450 WeakPolarHBondContact O-CB 3.37Å; A432-F451 PolarHBondContact N-O 3Å; A432-F451 WeakPolarHBondContact O-CD1 3.46Å; A432-F451 PolarHBondContact O-N 3.24Å; A432-T453 HydrophobicContact CB-CG2 3.77Å
433I93.9Very high92.8Very high3 Ų347 Ų472%0.01523%0.23CC..  trans-83150.7172.5-73.7171.1000109.7P362 L382 N437 V438 E441 R450P362-I433 HydrophobicContact CG-CB 4.32Å; P362-I433 HydrophobicContact CG-CG2 4.43Å; P362-I433 WeakPolarHBondContact CG-O 3.28Å; L382-I433 HydrophobicContact CD2-CD1 4.09Å; I433-N437 HydrophobicContact CG2-CB 4.13Å; I433-V438 HydrophobicContact CG2-CG2 4.11Å; I433-E441 HydrophobicContact CD1-CB 3.77Å; I433-E441 HydrophobicContact CD1-CG 3.43Å; I433-E441 VanDerWaalsContact CD1-CG 3.43Å; I433-R450 VanDerWaalsContact CD1-CZ 3.47Å; I433-R450 HydrophobicContact CG1-CG 3.88Å
434S92.7Very high93Very high27 Ų2749 Ų4919%0.18924%0.236CC..  trans-79.7145.516954.70000111.5E436 N437 V438S434-E436 PolarHBondContact O-N 2.88Å; S434-E436 VanDerWaalsContact O-N 3.08Å; S434-N437 PolarHBondContact O-N 3.41Å; S434-N437 PolarHBondContact OG-ND2 2.89Å; S434-V438 PolarHBondContact O-N 3.14Å
435E90Very high92.9Very high160 Ų16051.7 Ų51.775%0.74825%0.254SS*.G310 helixtrans-49-38.9178.2-73.6174.8-161.100112.7P362 N437 V438P362-E435 HydrophobicContact CB-CG 3.95Å; E435-N437 VanDerWaalsContact C-N 3.27Å; E435-N437 PolarHBondContact O-N 2.88Å; E435-V438 WeakPolarHBondContact O-CG2 3.39Å; E435-V438 PolarHBondContact O-N 2.92Å
436E92Very high92.6Very high177 Ų17755.6 Ų55.683%0.82727%0.271SS*.G310 helixtrans-54.8-36.6176.5-57.6171.4-88.400113.9S434S434-E436 PolarHBondContact O-N 2.88Å; S434-E436 VanDerWaalsContact O-N 3.08Å
437N92.7Very high92.4Very high56 Ų5657.4 Ų57.430%0.29928%0.284SS..G310 helixtrans-99.3-3-170.5-70.2-15.9000113.4I433 S434 E435 D439 A440 E441 Q448I433-N437 HydrophobicContact CG2-CB 4.13Å; S434-N437 PolarHBondContact O-N 3.41Å; S434-N437 PolarHBondContact OG-ND2 2.89Å; E435-N437 VanDerWaalsContact C-N 3.27Å; E435-N437 PolarHBondContact O-N 2.88Å; N437-D439 PolarHBondContact O-N 2.84Å; N437-A440 WeakPolarHBondContact O-CB 3.18Å; N437-A440 PolarHBondContact O-N 2.91Å; N437-E441 PolarHBondContact O-N 2.89Å; N437-E441 VanDerWaalsContact O-N 3.09Å; N437-Q448 HydrophobicContact CB-CB 4.34Å; N437-Q448 HydrophobicContact CB-CG 4.11Å
438V90.9Very high92.2Very high7 Ų759.5 Ų59.54%0.04229%0.294CS..Hα-helixtrans-55.7-48.6-176.8171.30000112.3P362 L382 I433 S434 E435 A440 E441 I442P362-V438 HydrophobicContact CB-CG2 3.49Å; P362-V438 VanDerWaalsContact CB-CG2 3.49Å; P362-V438 HydrophobicContact CG-CG2 3.85Å; L382-V438 HydrophobicContact CD1-CG1 3.74Å; L382-V438 HydrophobicContact CD2-CG1 4.2Å; I433-V438 HydrophobicContact CG2-CG2 4.11Å; S434-V438 PolarHBondContact O-N 3.14Å; E435-V438 WeakPolarHBondContact O-CG2 3.39Å; E435-V438 PolarHBondContact O-N 2.92Å; V438-A440 PolarHBondContact O-N 3.34Å; V438-E441 PolarHBondContact O-N 3.45Å; V438-I442 HydrophobicContact CG1-CD1 3.69Å; V438-I442 WeakPolarHBondContact O-CD1 3.4Å; V438-I442 VanDerWaalsContact O-CG1 3.3Å; V438-I442 WeakPolarHBondContact O-CG1 3.31Å; V438-I442 PolarHBondContact O-N 3.08Å; V438-I442 VanDerWaalsContact O-N 3.08Å
439D91.2Very high92.1Very high95 Ų9565.9 Ų65.951%0.50832%0.324SS..Hα-helixtrans-78.2-0.9-178.7-68.6-25.1000112.9R363 N437 R443R363-D439 IonicContact CZ-OD1 2.67Å; R363-D439 IonicContact NH2-OD1 2.65Å; R363-D439 PolarHBondContact NH2-OD1 2.91Å; N437-D439 PolarHBondContact O-N 2.84Å; D439-R443 VanDerWaalsContact O-CZ 3.28Å; D439-R443 PolarHBondContact O-NE 3.3Å; D439-R443 PolarHBondContact O-NH2 3.24Å
440A92.4Very high92Very high23 Ų2365.8 Ų65.819%0.1932%0.323CS..Hα-helixtrans-88.8-50.616500000110.9N437 V438 I442 R443 E444 Q448N437-A440 WeakPolarHBondContact O-CB 3.18Å; N437-A440 PolarHBondContact O-N 2.91Å; V438-A440 PolarHBondContact O-N 3.34Å; A440-I442 VanDerWaalsContact C-N 3.27Å; A440-I442 PolarHBondContact O-N 3.12Å; A440-R443 PolarHBondContact O-N 3.25Å; A440-E444 PolarHBondContact O-N 3.39Å; A440-E444 VanDerWaalsContact O-N 3.09Å; A440-Q448 HydrophobicContact CB-CG 4.02Å
441E91.9Very high91.9Very high0 Ų070.3 Ų70.30%034%0.343CS..Hα-helixtrans-58.1-36.9176.8-17383.1155.500112.3L382 I433 N437 V438 R443 E444 P445 H446 S447 Q448 R450L382-E441 HydrophobicContact CD2-CB 4.15Å; L382-E441 HydrophobicContact CD2-CG 4.13Å; I433-E441 HydrophobicContact CD1-CB 3.77Å; I433-E441 HydrophobicContact CD1-CG 3.43Å; I433-E441 VanDerWaalsContact CD1-CG 3.43Å; N437-E441 PolarHBondContact O-N 2.89Å; N437-E441 VanDerWaalsContact O-N 3.09Å; V438-E441 PolarHBondContact O-N 3.45Å; E441-R443 VanDerWaalsContact C-N 3.25Å; E441-R443 PolarHBondContact O-N 2.81Å; E441-E444 CarbonylContact O-C 3.55Å; E441-E444 PolarHBondContact O-N 3.5Å; E441-P445 VanDerWaalsContact O-CA 3.28Å; E441-P445 WeakPolarHBondContact O-CA 3.34Å; E441-P445 VanDerWaalsContact O-N 3.08Å; E441-H446 WeakPolarHBondContact OE1-CA 3.48Å; E441-H446 PolarHBondContact OE1-N 3.47Å; E441-H446 PolarHBondContact OE2-N 3.42Å; E441-H446 VanDerWaalsContact OE2-N 3.13Å; E441-S447 PolarHBondContact OE2-N 2.88Å; E441-Q448 HydrophobicContact CB-CB 4.37Å; E441-Q448 HydrophobicContact CB-CG 3.79Å; E441-Q448 PolarHBondContact OE2-N 2.98Å; E441-R450 IonicContact OE1-CZ 3.7Å; E441-R450 IonicContact OE1-NH2 2.78Å; E441-R450 PolarHBondContact OE1-NH2 2.97Å
442I88.3Confident91.8Very high76 Ų7672.2 Ų72.239%0.3936%0.357SS..THydrogen-bonded Turntrans-64.7-29.3177.6-69.9165.4000112.5R363 L382 V438 A440R363-I442 VanDerWaalsContact CZ-CD1 3.44Å; L382-I442 HydrophobicContact CD1-CD1 4.33Å; L382-I442 HydrophobicContact CD2-CG1 4.13Å; L382-I442 HydrophobicContact CG-CG1 4.45Å; V438-I442 HydrophobicContact CG1-CD1 3.69Å; V438-I442 WeakPolarHBondContact O-CD1 3.4Å; V438-I442 VanDerWaalsContact O-CG1 3.3Å; V438-I442 WeakPolarHBondContact O-CG1 3.31Å; V438-I442 PolarHBondContact O-N 3.08Å; V438-I442 VanDerWaalsContact O-N 3.08Å; A440-I442 VanDerWaalsContact C-N 3.27Å; A440-I442 PolarHBondContact O-N 3.12Å
443R90.5Very high91.6Very high200 Ų20074 Ų7476%0.75537%0.368SS*.THydrogen-bonded Turntrans-81.7-37.2177-80.8178.9-74.6150.70.5112.1D439 A440 E441D439-R443 VanDerWaalsContact O-CZ 3.28Å; D439-R443 PolarHBondContact O-NE 3.3Å; D439-R443 PolarHBondContact O-NH2 3.24Å; A440-R443 PolarHBondContact O-N 3.25Å; E441-R443 VanDerWaalsContact C-N 3.25Å; E441-R443 PolarHBondContact O-N 2.81Å
444E91.2Very high91.4Very high137 Ų13775.3 Ų75.364%0.6438%0.381SS*.SBendtrans-138.392.4178.6-167.9166.6-15800109.2A440 E441 S447A440-E444 PolarHBondContact O-N 3.39Å; A440-E444 VanDerWaalsContact O-N 3.09Å; E441-E444 CarbonylContact O-C 3.55Å; E441-E444 PolarHBondContact O-N 3.5Å; E444-S447 WeakPolarHBondContact O-CB 3.46Å; E444-S447 PolarHBondContact O-N 3.35Å; E444-S447 PolarHBondContact O-OG 3.19Å
445P87.7Confident91.3Very high58 Ų5874.3 Ų74.338%0.37738%0.375SS..THydrogen-bonded Turntrans-59.1141.9-177.5-29.837.8000113.4N381 E441 S447N381-P445 HydrophobicContact CB-CB 4.05Å; N381-P445 HydrophobicContact CB-CG 4.32Å; E441-P445 VanDerWaalsContact O-CA 3.28Å; E441-P445 WeakPolarHBondContact O-CA 3.34Å; E441-P445 VanDerWaalsContact O-N 3.08Å; P445-S447 PolarHBondContact O-N 2.92Å
446H86.9Confident91.4Very high100 Ų10069.2 Ų69.246%0.46336%0.36SS..THydrogen-bonded Turntrans63.422.5-174.9-43.9-73.6000114.7E441E441-H446 WeakPolarHBondContact OE1-CA 3.48Å; E441-H446 PolarHBondContact OE1-N 3.47Å; E441-H446 PolarHBondContact OE2-N 3.42Å; E441-H446 VanDerWaalsContact OE2-N 3.13Å
447S91.3Very high91.5Very high51 Ų5161 Ų6136%0.35732%0.322SS..  trans-88.4-26.3174.863.20000113.2E441 E444 P445E441-S447 PolarHBondContact OE2-N 2.88Å; E444-S447 WeakPolarHBondContact O-CB 3.46Å; E444-S447 PolarHBondContact O-N 3.35Å; E444-S447 PolarHBondContact O-OG 3.19Å; P445-S447 PolarHBondContact O-N 2.92Å
448Q93Very high91.6Very high45 Ų4559.1 Ų59.121%0.2131%0.311CS..SBendtrans-93.1145.6-172.4-55.8-54-63.700112.7N437 A440 E441N437-Q448 HydrophobicContact CB-CB 4.34Å; N437-Q448 HydrophobicContact CB-CG 4.11Å; A440-Q448 HydrophobicContact CB-CG 4.02Å; E441-Q448 HydrophobicContact CB-CB 4.37Å; E441-Q448 HydrophobicContact CB-CG 3.79Å; E441-Q448 PolarHBondContact OE2-N 2.98Å
449E92.9Very high91.8Very high134 Ų13459 Ų5963%0.62631%0.31SS*.  trans-73.1140.7171.6-68.2-116.910900110.8K348 Y349K348-E449 IonicContact NZ-OE1 3.63Å; K348-E449 PolarHBondContact NZ-OE1 2.96Å; Y349-E449 WeakPolarHBondContact OH-CA 3.4Å; Y349-E449 PolarHBondContact OH-OE1 2.78Å; Y349-E449 VanDerWaalsContact OH-OE1 3.06Å
450R94.7Very high92Very high12 Ų1254.7 Ų54.75%0.04529%0.287CS..  trans-105.3143.4176.1-56-168.7-179.6-121.5-3.9110Y349 N381 L382 E383 E385 Y431 A432 I433 E441Y349-R450 HydrophobicContact CD2-CB 3.78Å; Y349-R450 HydrophobicContact CD2-CG 3.96Å; Y349-R450 HydrophobicContact CE2-CB 3.66Å; Y349-R450 HydrophobicContact CE2-CG 3.8Å; Y349-R450 HydrophobicContact CG-CB 4.31Å; Y349-R450 PolarHBondContact OH-N 2.93Å; N381-R450 PolarHBondContact O-NH2 2.75Å; L382-R450 PolarHBondContact O-NH1 3.02Å; L382-R450 VanDerWaalsContact O-NH1 3.15Å; E383-R450 PolarHBondContact O-NH1 3.04Å; E385-R450 WeakPolarHBondContact OE1-CD 3.1Å; E385-R450 IonicContact OE1-CZ 3.53Å; E385-R450 IonicContact OE1-NE 3.85Å; E385-R450 PolarHBondContact OE1-NE 3.37Å; Y431-R450 HydrophobicContact CD1-CB 4.28Å; Y431-R450 WeakPolarHBondContact CD1-O 3.27Å; A432-R450 CarbonylContact O-C 3.53Å; A432-R450 WeakPolarHBondContact O-CA 3.34Å; A432-R450 WeakPolarHBondContact O-CB 3.37Å; I433-R450 VanDerWaalsContact CD1-CZ 3.47Å; I433-R450 HydrophobicContact CG1-CG 3.88Å; E441-R450 IonicContact OE1-CZ 3.7Å; E441-R450 IonicContact OE1-NH2 2.78Å; E441-R450 PolarHBondContact OE1-NH2 2.97Å
451F94.2Very high92.2Very high96 Ų9653.6 Ų53.642%0.42128%0.278SS..EExtended strand (participates in β ladder)trans-106.8150.1177.472.1-88.1000111.1Y431 A432Y431-F451 WeakPolarHBondContact CA-O 3.31Å; A432-F451 PolarHBondContact N-O 3Å; A432-F451 WeakPolarHBondContact O-CD1 3.46Å; A432-F451 PolarHBondContact O-N 3.24Å
452P94.8Very high92.4Very high55 Ų5553.6 Ų53.636%0.35728%0.278SS..EExtended strand (participates in β ladder)trans-74.5139.4-179.529.6-33.7000111.7I418 P428 Y431I418-P452 HydrophobicContact CD1-CB 3.65Å; I418-P452 HydrophobicContact CD1-CG 3.72Å; I418-P452 HydrophobicContact CG1-CB 4.48Å; I418-P452 HydrophobicContact CG1-CG 4.4Å; P428-P452 HydrophobicContact CB-CB 4.04Å; P428-P452 HydrophobicContact CG-CB 3.99Å; Y431-P452 HydrophobicContact CD1-CB 4.38Å; Y431-P452 HydrophobicContact CE1-CB 3.96Å; Y431-P452 HydrophobicContact CE1-CG 4.25Å; Y431-P452 HydrophobicContact CE2-CB 4.22Å
453T91.6Very high92.8Very high43 Ų4350 Ų5026%0.26426%0.259SS..EExtended strand (participates in β ladder)trans-148.7174.1179-1720000111.4L430 A432L430-T453 HydrophobicContact CD1-CG2 3.37Å; L430-T453 HydrophobicContact CG-CG2 4.12Å; L430-T453 PolarHBondContact N-O 3.46Å; L430-T453 PolarHBondContact O-N 2.85Å; L430-T453 VanDerWaalsContact O-O 3.11Å; A432-T453 HydrophobicContact CB-CG2 3.77Å
454G89.6Confident93.1Very high29 Ų2940.5 Ų40.530%0.29922%0.223SC..SBendtrans80.2-150.3-173.700000113.8E429E429-G454 WeakPolarHBondContact OE2-CA 3.16Å
455A90.6Very high93.4Very high6 Ų634.4 Ų34.45%0.0520%0.195CC..  trans-68.8129.9177.700000111.5V37 P428 E429 F458V37-A455 HydrophobicContact CG2-CB 3.95Å; P428-A455 CarbonylContact C-O 3.45Å; P428-A455 WeakPolarHBondContact CA-O 3.43Å; E429-A455 HydrophobicContact CB-CB 4.27Å; E429-A455 PolarHBondContact N-O 2.96Å; E429-A455 PolarHBondContact OE2-N 3Å; A455-F458 HydrophobicContact CB-CB 4.26Å; A455-F458 HydrophobicContact CB-CD2 4.48Å; A455-F458 PolarHBondContact O-N 3.37Å
456A91.9Very high93.8Very high54 Ų5431.8 Ų31.845%0.44618%0.178SC..SBendtrans-139105.6174.500000109.4I426I426-A456 HydrophobicContact CG2-CB 4.16Å
457P93.4Very high94.2Very high3 Ų327 Ų272%0.01916%0.156CC..SBendcis-70.3148.8-2.430.1-34.8000113.7T21 Y25 I426 V427 L459 Q462T21-P457 VanDerWaalsContact O-CG 3.24Å; T21-P457 WeakPolarHBondContact O-CG 3.39Å; Y25-P457 HydrophobicContact CE2-CG 3.98Å; I426-P457 HydrophobicContact CG2-CB 3.96Å; V427-P457 WeakPolarHBondContact O-CA 3.49Å; P457-L459 HydrophobicContact CG-CD2 4.44Å; P457-Q462 HydrophobicContact CB-CB 4.12Å; P457-Q462 HydrophobicContact CB-CG 4.06Å
458F94.8Very high94.4Very high18 Ų1824.6 Ų24.68%0.07914%0.139CC..  trans-87.8111.2162.2176.9-139.9000109.2W386 L388 V427 E429 A455 W460 A461 Q462W386-F458 HydrophobicContact CE3-CE1 4.13Å; W386-F458 HydrophobicContact CZ3-CD1 4.45Å; W386-F458 AromaticContact CZ3-CE1 3.77Å; W386-F458 HydrophobicContact CZ3-CE1 3.77Å; W386-F458 HydrophobicContact CZ3-CZ 4.08Å; L388-F458 HydrophobicContact CD2-CE1 4.26Å; V427-F458 PolarHBondContact O-N 2.96Å; E429-F458 HydrophobicContact CB-CB 4.06Å; E429-F458 HydrophobicContact CB-CD1 4.46Å; E429-F458 HydrophobicContact CB-CG 4.21Å; E429-F458 HydrophobicContact CG-CD1 4.36Å; E429-F458 HydrophobicContact CG-CD2 4.43Å; E429-F458 HydrophobicContact CG-CG 4.24Å; A455-F458 HydrophobicContact CB-CB 4.26Å; A455-F458 HydrophobicContact CB-CD2 4.48Å; A455-F458 PolarHBondContact O-N 3.37Å; F458-W460 VanDerWaalsContact C-N 3.32Å; F458-W460 HydrophobicContact CE1-CB 4.21Å; F458-W460 HydrophobicContact CE1-CE3 4.3Å; F458-W460 HydrophobicContact CE2-CB 4.26Å; F458-W460 HydrophobicContact CZ-CB 3.96Å; F458-W460 HydrophobicContact CZ-CD2 4.34Å; F458-W460 AromaticContact CZ-CE3 3.71Å; F458-W460 HydrophobicContact CZ-CE3 3.71Å; F458-W460 HydrophobicContact CZ-CZ3 4.5Å; F458-W460 PolarHBondContact O-N 3.11Å; F458-A461 HydrophobicContact CB-CB 4.49Å; F458-A461 HydrophobicContact CD1-CB 3.67Å; F458-A461 HydrophobicContact CE1-CB 4.35Å; F458-A461 HydrophobicContact CG-CB 4.42Å; F458-A461 PolarHBondContact O-N 3.27Å; F458-A461 VanDerWaalsContact O-N 3.14Å; F458-Q462 WeakPolarHBondContact O-CB 3.46Å; F458-Q462 PolarHBondContact O-N 3.01Å
459L94.6Very high94.5Very high4 Ų422.5 Ų22.52%0.02113%0.129CC..Hα-helixtrans-58.2-38.4-163.6-58.3-177.7000114.1I22 Y25 F33 P36 P457 S463I22-L459 HydrophobicContact CG1-CD2 4.27Å; Y25-L459 HydrophobicContact CD2-CD2 3.61Å; Y25-L459 HydrophobicContact CE2-CD2 3.99Å; Y25-L459 HydrophobicContact CG-CD2 4.38Å; F33-L459 HydrophobicContact CB-CD1 4.04Å; P36-L459 HydrophobicContact CG-CD1 4.1Å; P36-L459 HydrophobicContact CG-CD2 3.97Å; P36-L459 HydrophobicContact CG-CG 3.8Å; P457-L459 HydrophobicContact CG-CD2 4.44Å; L459-S463 VanDerWaalsContact O-CB 3.26Å; L459-S463 WeakPolarHBondContact O-CB 3.31Å; L459-S463 PolarHBondContact O-N 3.4Å
460W95.1Very high94.6Very high5 Ų516.1 Ų16.12%0.01910%0.099CC..Hα-helixtrans-63.9-51.5177178.44.1000111.4R47 Y51 I241 W242 L388 Y392 F458 S463 L464R47-W460 HydrophobicContact CG-CZ3 4.39Å; Y51-W460 AromaticContact CD1-CD1 3.76Å; Y51-W460 AromaticContact CD1-NE1 3.64Å; Y51-W460 AromaticContact CD2-CD1 3.57Å; Y51-W460 AromaticContact CD2-CD2 3.85Å; Y51-W460 HydrophobicContact CD2-CD2 3.85Å; Y51-W460 AromaticContact CD2-CE2 3.57Å; Y51-W460 AromaticContact CD2-CG 3.9Å; Y51-W460 HydrophobicContact CD2-CG 3.9Å; Y51-W460 HydrophobicContact CD2-CZ2 4.22Å; Y51-W460 AromaticContact CD2-NE1 3.34Å; Y51-W460 VanDerWaalsContact CD2-NE1 3.34Å; Y51-W460 AromaticContact CE1-NE1 3.75Å; Y51-W460 HydrophobicContact CE2-CD2 4.23Å; Y51-W460 AromaticContact CE2-CE2 3.52Å; Y51-W460 AromaticContact CE2-CZ2 3.73Å; Y51-W460 HydrophobicContact CE2-CZ2 3.73Å; Y51-W460 AromaticContact CE2-NE1 3.45Å; Y51-W460 AromaticContact CG-CD1 3.34Å; Y51-W460 HydrophobicContact CG-CD2 4.38Å; Y51-W460 AromaticContact CG-CG 3.97Å; Y51-W460 HydrophobicContact CG-CG 3.97Å; Y51-W460 AromaticContact CG-NE1 3.44Å; Y51-W460 AromaticContact CZ-NE1 3.66Å; I241-W460 HydrophobicContact CD1-CH2 3.61Å; I241-W460 HydrophobicContact CD1-CZ2 4.09Å; I241-W460 HydrophobicContact CG1-CH2 3.83Å; I241-W460 HydrophobicContact CG1-CZ3 4.48Å; W242-W460 HydrophobicContact CH2-CH2 4.35Å; W242-W460 HydrophobicContact CZ3-CH2 4.43Å; W242-W460 HydrophobicContact CZ3-CZ3 4.29Å; L388-W460 HydrophobicContact CD1-CD2 4.1Å; L388-W460 HydrophobicContact CD1-CG 3.95Å; L388-W460 HydrophobicContact CD2-CD2 4.16Å; L388-W460 HydrophobicContact CD2-CE3 4.31Å; L388-W460 HydrophobicContact CD2-CH2 4.04Å; L388-W460 HydrophobicContact CD2-CZ2 3.95Å; L388-W460 HydrophobicContact CD2-CZ3 4.24Å; Y392-W460 HydrophobicContact CE2-CZ2 4.14Å; Y392-W460 AromaticContact CE2-NE1 3.93Å; Y392-W460 AromaticContact CZ-NE1 3.81Å; Y392-W460 WeakPolarHBondContact OH-CZ2 3.47Å; Y392-W460 PolarHBondContact OH-NE1 3.34Å; F458-W460 VanDerWaalsContact C-N 3.32Å; F458-W460 HydrophobicContact CE1-CB 4.21Å; F458-W460 HydrophobicContact CE1-CE3 4.3Å; F458-W460 HydrophobicContact CE2-CB 4.26Å; F458-W460 HydrophobicContact CZ-CB 3.96Å; F458-W460 HydrophobicContact CZ-CD2 4.34Å; F458-W460 AromaticContact CZ-CE3 3.71Å; F458-W460 HydrophobicContact CZ-CE3 3.71Å; F458-W460 HydrophobicContact CZ-CZ3 4.5Å; F458-W460 PolarHBondContact O-N 3.11Å; W460-S463 PolarHBondContact O-N 2.93Å; W460-L464 PolarHBondContact O-N 2.97Å; W460-L464 VanDerWaalsContact O-N 3.12Å
461A96.6Very high94.6Very high0 Ų016.2 Ų16.20%010%0.1CC..Hα-helixtrans-67.3-38.5179.100000112.6L388 C391 V427 F458 L464 Y465L388-A461 HydrophobicContact CB-CB 4.05Å; L388-A461 HydrophobicContact CD1-CB 3.81Å; C391-A461 PolarHBondContact SG-O 3.04Å; V427-A461 HydrophobicContact CB-CB 4.14Å; V427-A461 HydrophobicContact CG1-CB 3.67Å; F458-A461 HydrophobicContact CB-CB 4.49Å; F458-A461 HydrophobicContact CD1-CB 3.67Å; F458-A461 HydrophobicContact CE1-CB 4.35Å; F458-A461 HydrophobicContact CG-CB 4.42Å; F458-A461 PolarHBondContact O-N 3.27Å; F458-A461 VanDerWaalsContact O-N 3.14Å; A461-L464 PolarHBondContact O-N 2.98Å; A461-Y465 WeakPolarHBondContact O-CB 3.48Å; A461-Y465 PolarHBondContact O-N 2.72Å
462Q96.5Very high94.6Very high0 Ų014.7 Ų14.70%010%0.095CC..Hα-helixtrans-61.8-42.6175-173.169.910.100111.8T21 I22 P425 P457 F458 Y465 I466T21-Q462 PolarHBondContact OG1-NE2 3.13Å; T21-Q462 VanDerWaalsContact OG1-NE2 3.1Å; I22-Q462 HydrophobicContact CD1-CB 4.32Å; I22-Q462 HydrophobicContact CD1-CG 3.96Å; I22-Q462 HydrophobicContact CG1-CG 4.05Å; P425-Q462 PolarHBondContact O-NE2 3.11Å; P457-Q462 HydrophobicContact CB-CB 4.12Å; P457-Q462 HydrophobicContact CB-CG 4.06Å; F458-Q462 WeakPolarHBondContact O-CB 3.46Å; F458-Q462 PolarHBondContact O-N 3.01Å; Q462-Y465 PolarHBondContact O-N 2.99Å; Q462-I466 HydrophobicContact CG-CD1 4.2Å; Q462-I466 WeakPolarHBondContact O-CG1 3.37Å; Q462-I466 PolarHBondContact O-N 2.71Å
463S96.3Very high94.5Very high0 Ų014.8 Ų14.80%09%0.09CC..Hα-helixtrans-64-47.3177.2-1750000111.5Y51 C55 L459 W460 Y465 I466 L467Y51-S463 VanDerWaalsContact O-CB 3.26Å; Y51-S463 WeakPolarHBondContact O-CB 3.08Å; Y51-S463 PolarHBondContact O-OG 3.5Å; C55-S463 WeakPolarHBondContact CB-O 3.37Å; C55-S463 WeakPolarHBondContact CB-OG 3.01Å; C55-S463 PolarHBondContact N-OG 3.16Å; C55-S463 VanDerWaalsContact N-OG 3.17Å; C55-S463 PolarHBondContact SG-OG 3.36Å; L459-S463 VanDerWaalsContact O-CB 3.26Å; L459-S463 WeakPolarHBondContact O-CB 3.31Å; L459-S463 PolarHBondContact O-N 3.4Å; W460-S463 PolarHBondContact O-N 2.93Å; S463-Y465 PolarHBondContact O-N 3.42Å; S463-I466 PolarHBondContact O-N 2.79Å; S463-L467 WeakPolarHBondContact O-CB 3.48Å; S463-L467 PolarHBondContact O-N 3.43Å
464L97.1Very high94.4Very high0 Ų015.8 Ų15.80%09%0.094CC..Hα-helixtrans-66.1-36.9177.6-66-179.6000112.5Y51 Y323 L388 C391 Y392 I395 W460 A461 L467 G468Y51-L464 HydrophobicContact CD1-CD2 4.35Å; Y323-L464 HydrophobicContact CD1-CD2 4.33Å; Y323-L464 HydrophobicContact CE1-CD2 4.07Å; L388-L464 HydrophobicContact CD1-CD1 4.02Å; C391-L464 HydrophobicContact CB-CB 3.8Å; Y392-L464 HydrophobicContact CD1-CD1 4.27Å; Y392-L464 HydrophobicContact CD2-CD1 4.04Å; Y392-L464 HydrophobicContact CE1-CD1 3.85Å; Y392-L464 HydrophobicContact CE2-CD1 3.6Å; Y392-L464 HydrophobicContact CG-CD1 4.35Å; Y392-L464 VanDerWaalsContact CZ-CD1 3.49Å; I395-L464 HydrophobicContact CD1-CB 4Å; I395-L464 HydrophobicContact CD1-CD2 3.95Å; I395-L464 HydrophobicContact CD1-CG 4.5Å; W460-L464 PolarHBondContact O-N 2.97Å; W460-L464 VanDerWaalsContact O-N 3.12Å; A461-L464 PolarHBondContact O-N 2.98Å; L464-L467 HydrophobicContact CD2-CD2 4.23Å; L464-L467 PolarHBondContact O-N 3.18Å; L464-G468 PolarHBondContact O-N 3.01Å
465Y97.5Very high94.5Very high10 Ų1014.9 Ų14.94%0.0398%0.082CC..Hα-helixtrans-61.4-48.3173.6170.6-105.9000112.2R410 L413 V417 P425 V427 A461 Q462 S463 L467 G468 C469R410-Y465 PolarHBondContact NH2-OH 2.83Å; L413-Y465 HydrophobicContact CB-CE2 4.37Å; L413-Y465 HydrophobicContact CD1-CD2 4.26Å; L413-Y465 HydrophobicContact CD2-CD2 4.39Å; V417-Y465 HydrophobicContact CG2-CE2 4.41Å; P425-Y465 HydrophobicContact CB-CE1 3.8Å; P425-Y465 HydrophobicContact CG-CE1 3.75Å; V427-Y465 HydrophobicContact CG2-CD1 4.07Å; V427-Y465 HydrophobicContact CG2-CD2 4.46Å; V427-Y465 HydrophobicContact CG2-CG 3.79Å; A461-Y465 WeakPolarHBondContact O-CB 3.48Å; A461-Y465 PolarHBondContact O-N 2.72Å; Q462-Y465 PolarHBondContact O-N 2.99Å; S463-Y465 PolarHBondContact O-N 3.42Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-L467 PolarHBondContact O-N 2.76Å; Y465-G468 PolarHBondContact O-N 3.3Å; Y465-C469 PolarHBondContact O-N 3Å; Y465-C469 PolarHBondContact O-SG 3.42Å
466I95.5Very high94.5Very high3 Ų314.7 Ų14.72%0.0158%0.08CC..Hα-helixtrans-62.7-42.2176.7-68.3169.8000110.7Y14 A17 V18 I22 C55 Q462 S463 C469 L470Y14-I466 HydrophobicContact CD1-CG2 4.12Å; A17-I466 HydrophobicContact CB-CD1 4.38Å; V18-I466 HydrophobicContact CG2-CD1 3.93Å; V18-I466 HydrophobicContact CG2-CG2 3.9Å; I22-I466 HydrophobicContact CD1-CD1 4.23Å; C55-I466 HydrophobicContact CB-CB 4.17Å; C55-I466 HydrophobicContact CB-CG2 4.02Å; Q462-I466 HydrophobicContact CG-CD1 4.2Å; Q462-I466 WeakPolarHBondContact O-CG1 3.37Å; Q462-I466 PolarHBondContact O-N 2.71Å; S463-I466 PolarHBondContact O-N 2.79Å; I466-C469 WeakPolarHBondContact O-CB 3.46Å; I466-C469 PolarHBondContact O-N 3.37Å; I466-L470 HydrophobicContact CG2-CD1 4.2Å; I466-L470 HydrophobicContact CG2-CG 4.42Å; I466-L470 WeakPolarHBondContact O-CG 3.09Å; I466-L470 PolarHBondContact O-N 2.94Å
467L96Very high94.4Very high0 Ų017 Ų170%08%0.08CC..Hα-helixtrans-59.2-46.8176.1175.260.1000112.1H54 A58 Y323 I395 S463 L464 Y465 C469 L470 I471 M481H54-L467 HydrophobicContact CB-CD2 4.49Å; A58-L467 HydrophobicContact CB-CD1 3.7Å; Y323-L467 HydrophobicContact CD1-CD2 4.35Å; Y323-L467 HydrophobicContact CE1-CD2 3.55Å; I395-L467 HydrophobicContact CD1-CD2 4.18Å; I395-L467 HydrophobicContact CD1-CG 4.37Å; S463-L467 WeakPolarHBondContact O-CB 3.48Å; S463-L467 PolarHBondContact O-N 3.43Å; L464-L467 HydrophobicContact CD2-CD2 4.23Å; L464-L467 PolarHBondContact O-N 3.18Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-L467 PolarHBondContact O-N 2.76Å; L467-C469 VanDerWaalsContact C-N 3.33Å; L467-C469 PolarHBondContact O-N 2.92Å; L467-L470 PolarHBondContact O-N 3.07Å; L467-I471 HydrophobicContact CD1-CD1 4.01Å; L467-I471 HydrophobicContact CD1-CG1 4.48Å; L467-I471 HydrophobicContact CG-CD1 4.05Å; L467-I471 WeakPolarHBondContact O-CD1 3.15Å; L467-I471 WeakPolarHBondContact O-CG1 3.29Å; L467-I471 PolarHBondContact O-N 2.77Å; L467-I471 VanDerWaalsContact O-N 3.14Å; L467-M481 HydrophobicContact CD1-CE 3.82Å; L467-M481 HydrophobicContact CD1-CG 4.03Å; L467-M481 HydrophobicContact CD1-SD 4.17Å; L467-M481 HydrophobicContact CD2-CE 4.27Å
468G96Very high94.2Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-58.3-43.8175.100000112.3F394 L464 Y465 L470 I471 E472F394-G468 VanDerWaalsContact CE1-C 3.49Å; L464-G468 PolarHBondContact O-N 3.01Å; Y465-G468 PolarHBondContact O-N 3.3Å; G468-L470 PolarHBondContact O-N 3.5Å; G468-I471 WeakPolarHBondContact O-CB 3.42Å; G468-I471 PolarHBondContact O-N 3.2Å; G468-E472 WeakPolarHBondContact O-CB 3.48Å; G468-E472 PolarHBondContact O-N 3.4Å
469C95.7Very high94Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-61.7-42.5175.8-63.90000113.2Y14 R410 Y465 I466 L467 I471 E472 E473Y14-C469 HydrophobicContact CE1-CB 3.57Å; Y14-C469 WeakPolarHBondContact OH-CB 3.26Å; R410-C469 PolarHBondContact NH1-SG 3.35Å; Y465-C469 PolarHBondContact O-N 3Å; Y465-C469 PolarHBondContact O-SG 3.42Å; I466-C469 WeakPolarHBondContact O-CB 3.46Å; I466-C469 PolarHBondContact O-N 3.37Å; L467-C469 VanDerWaalsContact C-N 3.33Å; L467-C469 PolarHBondContact O-N 2.92Å; C469-I471 PolarHBondContact O-N 2.79Å; C469-E472 PolarHBondContact O-N 2.97Å; C469-E473 PolarHBondContact O-N 2.92Å
470L94.3Very high93.8Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-63.8-30.5177.9-70.1173.6000112.3L11 Y14 A58 I466 L467 G468 L475 I476L11-L470 HydrophobicContact CD1-CD2 4.32Å; Y14-L470 HydrophobicContact CD1-CD2 4.46Å; Y14-L470 HydrophobicContact CD2-CD2 3.68Å; Y14-L470 HydrophobicContact CE2-CD2 4.42Å; Y14-L470 HydrophobicContact CG-CD2 3.74Å; Y14-L470 HydrophobicContact CG-CG 4.47Å; A58-L470 HydrophobicContact CB-CD1 3.87Å; I466-L470 HydrophobicContact CG2-CD1 4.2Å; I466-L470 HydrophobicContact CG2-CG 4.42Å; I466-L470 WeakPolarHBondContact O-CG 3.09Å; I466-L470 PolarHBondContact O-N 2.94Å; L467-L470 PolarHBondContact O-N 3.07Å; G468-L470 PolarHBondContact O-N 3.5Å; L470-L475 HydrophobicContact CD2-CB 4.26Å; L470-L475 HydrophobicContact CD2-CD1 3.7Å; L470-L475 WeakPolarHBondContact O-CB 3.5Å; L470-L475 PolarHBondContact O-N 3.01Å; L470-I476 HydrophobicContact CB-CG2 3.9Å; L470-I476 PolarHBondContact O-N 3.31Å; L470-I476 VanDerWaalsContact O-N 3.12Å
471I94.4Very high93.6Very high15 Ų1522.4 Ų22.48%0.07711%0.114CC..Hα-helixtrans-75.4-46.5174.8-69.2163.7000110.5H398 L467 G468 C469 E473 D474 I476 L478H398-I471 HydrophobicContact CB-CG2 3.89Å; L467-I471 HydrophobicContact CD1-CD1 4.01Å; L467-I471 HydrophobicContact CD1-CG1 4.48Å; L467-I471 HydrophobicContact CG-CD1 4.05Å; L467-I471 WeakPolarHBondContact O-CD1 3.15Å; L467-I471 WeakPolarHBondContact O-CG1 3.29Å; L467-I471 PolarHBondContact O-N 2.77Å; L467-I471 VanDerWaalsContact O-N 3.14Å; G468-I471 WeakPolarHBondContact O-CB 3.42Å; G468-I471 PolarHBondContact O-N 3.2Å; C469-I471 PolarHBondContact O-N 2.79Å; I471-E473 PolarHBondContact O-N 2.74Å; I471-D474 PolarHBondContact O-N 3Å; I471-D474 VanDerWaalsContact O-N 3.17Å; I471-I476 HydrophobicContact CG1-CG2 3.77Å; I471-L478 HydrophobicContact CD1-CD2 4.08Å; I471-L478 HydrophobicContact CG1-CD2 4.37Å; I471-L478 HydrophobicContact CG2-CD2 3.63Å; I471-L478 HydrophobicContact CG2-CG 4.38Å
472E94.2Very high93.4Very high64 Ų6422.4 Ų22.430%0.29911%0.114SC..Hα-helixtrans-58.9-43.2179.8-177.8177-134.500112.6F394 R410 G468 C469 D474F394-E472 HydrophobicContact CZ-CB 4.1Å; F394-E472 HydrophobicContact CZ-CG 4.43Å; R410-E472 WeakPolarHBondContact CD-OE1 3.45Å; R410-E472 WeakPolarHBondContact CD-OE2 3.47Å; R410-E472 IonicContact CZ-OE2 3.05Å; R410-E472 IonicContact NE-OE2 3.78Å; R410-E472 IonicContact NH1-OE2 3.72Å; R410-E472 PolarHBondContact NH1-OE2 3.25Å; G468-E472 WeakPolarHBondContact O-CB 3.48Å; G468-E472 PolarHBondContact O-N 3.4Å; C469-E472 PolarHBondContact O-N 2.97Å; E472-D474 PolarHBondContact O-N 3.28Å
473E92.5Very high93.2Very high57 Ų5724 Ų2427%0.26613%0.125SC..THydrogen-bonded Turntrans-82.17.7179.5-65.3-170.3-171.800114.3R10 Y14 C469 I471 L475R10-E473 WeakPolarHBondContact CB-OE2 3.47Å; R10-E473 VanDerWaalsContact CG-OE2 3.25Å; R10-E473 WeakPolarHBondContact CG-OE2 3.5Å; R10-E473 IonicContact CZ-OE1 2.87Å; R10-E473 VanDerWaalsContact CZ-OE1 3.24Å; R10-E473 IonicContact CZ-OE2 2.98Å; R10-E473 VanDerWaalsContact NE-CD 3.33Å; R10-E473 IonicContact NE-OE1 2.91Å; R10-E473 PolarHBondContact NE-OE1 3.44Å; R10-E473 IonicContact NE-OE2 2.63Å; R10-E473 PolarHBondContact NE-OE2 2.98Å; R10-E473 IonicContact NH2-OE1 3.27Å; R10-E473 PolarHBondContact NH2-OE1 3.03Å; R10-E473 IonicContact NH2-OE2 2.93Å; Y14-E473 PolarHBondContact OH-OE1 3.05Å; Y14-E473 VanDerWaalsContact OH-OE1 3.06Å; C469-E473 PolarHBondContact O-N 2.92Å; I471-E473 PolarHBondContact O-N 2.74Å; E473-L475 HydrophobicContact CB-CD1 4.24Å; E473-L475 HydrophobicContact CB-CG 4.1Å; E473-L475 PolarHBondContact O-N 2.81Å
474D90.8Very high93.1Very high63 Ų6326.9 Ų26.934%0.33714%0.14SC..THydrogen-bonded Turntrans54.333-177.1-167.151000113.7K7 I471 E472 K477K7-D474 PolarHBondContact NZ-O 2.95Å; K7-D474 IonicContact NZ-OD2 2.68Å; K7-D474 PolarHBondContact NZ-OD2 3.21Å; I471-D474 PolarHBondContact O-N 3Å; I471-D474 VanDerWaalsContact O-N 3.17Å; E472-D474 PolarHBondContact O-N 3.28Å; D474-K477 VanDerWaalsContact OD1-CD 3.3Å; D474-K477 WeakPolarHBondContact OD1-CD 3.29Å; D474-K477 WeakPolarHBondContact OD1-CE 3.39Å; D474-K477 IonicContact OD1-NZ 3.24Å; D474-K477 PolarHBondContact OD1-NZ 2.7Å; D474-K477 IonicContact OD2-NZ 2.66Å; D474-K477 PolarHBondContact OD2-NZ 3.42Å; D474-K477 VanDerWaalsContact OD2-NZ 3.15Å
475L89.9Confident92.8Very high11 Ų1130.1 Ų30.16%0.05816%0.157CC..SBendtrans-76.2-42.4172.1-61.4172.8000108.9K7 R10 Y14 K65 L470 E473K7-L475 HydrophobicContact CB-CD2 3.9Å; K7-L475 HydrophobicContact CD-CD2 4.03Å; K7-L475 HydrophobicContact CG-CD2 3.9Å; R10-L475 HydrophobicContact CB-CD1 4.23Å; Y14-L475 HydrophobicContact CD2-CD1 3.87Å; Y14-L475 HydrophobicContact CE2-CD1 4.08Å; K65-L475 PolarHBondContact NZ-O 3.32Å; L470-L475 HydrophobicContact CD2-CB 4.26Å; L470-L475 HydrophobicContact CD2-CD1 3.7Å; L470-L475 WeakPolarHBondContact O-CB 3.5Å; L470-L475 PolarHBondContact O-N 3.01Å; E473-L475 HydrophobicContact CB-CD1 4.24Å; E473-L475 HydrophobicContact CB-CG 4.1Å; E473-L475 PolarHBondContact O-N 2.81Å
476I91Very high92.6Very high1 Ų130.6 Ų30.61%0.00516%0.159CC..SBendtrans-120.6141.3172.4-164.3164000111.6A58 L61 L470 I471 E480 M481A58-I476 HydrophobicContact CB-CD1 3.95Å; L61-I476 HydrophobicContact CB-CD1 3.75Å; L61-I476 HydrophobicContact CD1-CD1 3.88Å; L61-I476 HydrophobicContact CG-CD1 4.48Å; L470-I476 HydrophobicContact CB-CG2 3.9Å; L470-I476 PolarHBondContact O-N 3.31Å; L470-I476 VanDerWaalsContact O-N 3.12Å; I471-I476 HydrophobicContact CG1-CG2 3.77Å; I476-E480 HydrophobicContact CD1-CB 4.12Å; I476-E480 HydrophobicContact CG1-CB 3.75Å; I476-M481 HydrophobicContact CD1-CG 3.61Å; I476-M481 HydrophobicContact CD1-SD 3.53Å; I476-M481 VanDerWaalsContact CD1-SD 3.53Å; I476-M481 HydrophobicContact CG1-CG 4.28Å
477K90.5Very high92.3Very high104 Ų10433 Ų3345%0.45217%0.168SC..  trans-87.8147.1172.6-61.1-68-176.3-173.60109.3D474 A479 E480D474-K477 VanDerWaalsContact OD1-CD 3.3Å; D474-K477 WeakPolarHBondContact OD1-CD 3.29Å; D474-K477 WeakPolarHBondContact OD1-CE 3.39Å; D474-K477 IonicContact OD1-NZ 3.24Å; D474-K477 PolarHBondContact OD1-NZ 2.7Å; D474-K477 IonicContact OD2-NZ 2.66Å; D474-K477 PolarHBondContact OD2-NZ 3.42Å; D474-K477 VanDerWaalsContact OD2-NZ 3.15Å; K477-A479 PolarHBondContact O-N 3.26Å; K477-A479 VanDerWaalsContact O-N 3.1Å; K477-E480 HydrophobicContact CB-CG 4.21Å; K477-E480 WeakPolarHBondContact CB-OE2 3.23Å; K477-E480 PolarHBondContact N-OE2 3Å; K477-E480 WeakPolarHBondContact O-CB 3.43Å; K477-E480 PolarHBondContact O-N 2.98Å
478L89.8Confident91.9Very high45 Ų4536.2 Ų36.224%0.23619%0.185CC..Hα-helixtrans-50.1-38.8177.6-62.6170.7000113.8H398 F399 I471 E480 M481 D482H398-L478 HydrophobicContact CB-CD2 4.34Å; F399-L478 HydrophobicContact CD1-CB 4.28Å; F399-L478 HydrophobicContact CD1-CD1 4.26Å; F399-L478 HydrophobicContact CD1-CD2 4.02Å; F399-L478 HydrophobicContact CD1-CG 4.42Å; F399-L478 HydrophobicContact CD2-CD2 3.96Å; F399-L478 HydrophobicContact CE1-CB 3.85Å; F399-L478 HydrophobicContact CE1-CD2 3.88Å; F399-L478 HydrophobicContact CE1-CG 4.33Å; F399-L478 HydrophobicContact CE2-CD2 3.82Å; F399-L478 HydrophobicContact CG-CD2 4.06Å; F399-L478 HydrophobicContact CZ-CB 4.31Å; F399-L478 HydrophobicContact CZ-CD2 3.78Å; I471-L478 HydrophobicContact CD1-CD2 4.08Å; I471-L478 HydrophobicContact CG1-CD2 4.37Å; I471-L478 HydrophobicContact CG2-CD2 3.63Å; I471-L478 HydrophobicContact CG2-CG 4.38Å; L478-E480 VanDerWaalsContact C-N 3.26Å; L478-E480 PolarHBondContact O-N 3.49Å; L478-M481 PolarHBondContact O-N 3.46Å; L478-D482 PolarHBondContact O-N 2.97Å
479A89Confident91.3Very high44 Ų4437.6 Ų37.636%0.36419%0.194SC..Hα-helixtrans-70.1-16.3179.200000114.5K477 D482K477-A479 PolarHBondContact O-N 3.26Å; K477-A479 VanDerWaalsContact O-N 3.1Å; A479-D482 CarbonylContact O-C 3.41Å
480E90Very high90.8Very high51 Ų5140.1 Ų40.124%0.23821%0.209CC..Hα-helixtrans-79.5-26.1176.6-61.9175.3110.200111.3L61 K65 I476 K477 L478L61-E480 HydrophobicContact CD1-CB 4.47Å; L61-E480 VanDerWaalsContact CD1-O 3.3Å; L61-E480 WeakPolarHBondContact CD1-O 3.19Å; K65-E480 IonicContact NZ-OE1 2.79Å; K65-E480 IonicContact NZ-OE2 3.3Å; K65-E480 PolarHBondContact NZ-OE2 3.06Å; I476-E480 HydrophobicContact CD1-CB 4.12Å; I476-E480 HydrophobicContact CG1-CB 3.75Å; K477-E480 HydrophobicContact CB-CG 4.21Å; K477-E480 WeakPolarHBondContact CB-OE2 3.23Å; K477-E480 PolarHBondContact N-OE2 3Å; K477-E480 WeakPolarHBondContact O-CB 3.43Å; K477-E480 PolarHBondContact O-N 2.98Å; L478-E480 VanDerWaalsContact C-N 3.26Å; L478-E480 PolarHBondContact O-N 3.49Å
481M91.7Very high90.2Very high2 Ų245.9 Ų45.91%0.0124%0.237CC..Hα-helixtrans-92.6-16.6174.6-66.9-61.3-61.900113.9W57 A58 L61 Y323 L467 I476 L478W57-M481 HydrophobicContact CD2-CE 4.3Å; W57-M481 HydrophobicContact CD2-SD 4.46Å; W57-M481 HydrophobicContact CE3-CE 3.48Å; W57-M481 VanDerWaalsContact CE3-CE 3.48Å; W57-M481 HydrophobicContact CE3-SD 4.15Å; W57-M481 HydrophobicContact CH2-CE 4.4Å; W57-M481 HydrophobicContact CZ3-CE 3.55Å; W57-M481 HydrophobicContact CZ3-SD 4.21Å; A58-M481 HydrophobicContact CB-CE 4.08Å; A58-M481 HydrophobicContact CB-SD 3.58Å; A58-M481 VanDerWaalsContact CB-SD 3.58Å; L61-M481 HydrophobicContact CD1-SD 3.92Å; Y323-M481 HydrophobicContact CE2-CB 4.39Å; Y323-M481 WeakPolarHBondContact OH-CE 3.34Å; L467-M481 HydrophobicContact CD1-CE 3.82Å; L467-M481 HydrophobicContact CD1-CG 4.03Å; L467-M481 HydrophobicContact CD1-SD 4.17Å; L467-M481 HydrophobicContact CD2-CE 4.27Å; I476-M481 HydrophobicContact CD1-CG 3.61Å; I476-M481 HydrophobicContact CD1-SD 3.53Å; I476-M481 VanDerWaalsContact CD1-SD 3.53Å; I476-M481 HydrophobicContact CG1-CG 4.28Å; L478-M481 PolarHBondContact O-N 3.46Å
482D93.2Very high89.2Confident0 Ų052.2 Ų52.20%028%0.275CS..  trans-126.664.7173176.138.3000110.5Q187 L478 A479 L484 N485 R486 R487Q187-D482 PolarHBondContact NE2-OD1 3.12Å; L478-D482 PolarHBondContact O-N 2.97Å; A479-D482 CarbonylContact O-C 3.41Å; D482-L484 PolarHBondContact O-N 3.06Å; D482-N485 WeakPolarHBondContact O-CA 3.29Å; D482-N485 PolarHBondContact O-N 3.37Å; D482-N485 PolarHBondContact OD1-N 3.41Å; D482-N485 VanDerWaalsContact OD2-C 3.24Å; D482-N485 VanDerWaalsContact OD2-CA 3.31Å; D482-N485 WeakPolarHBondContact OD2-CA 3.47Å; D482-R486 VanDerWaalsContact CG-N 3.28Å; D482-R486 WeakPolarHBondContact OD1-CB 3.46Å; D482-R486 PolarHBondContact OD1-N 2.77Å; D482-R486 PolarHBondContact OD2-N 3.22Å; D482-R487 PolarHBondContact O-NH1 3.49Å; D482-R487 WeakPolarHBondContact OD2-CB 3.39Å; D482-R487 WeakPolarHBondContact OD2-CD 3.39Å; D482-R487 VanDerWaalsContact OD2-CG 3.29Å; D482-R487 WeakPolarHBondContact OD2-CG 3.05Å; D482-R487 IonicContact OD2-CZ 2.63Å; D482-R487 PolarHBondContact OD2-N 2.88Å; D482-R487 IonicContact OD2-NH1 2.74Å; D482-R487 PolarHBondContact OD2-NH1 3.3Å
483P92.6Very high88.2Confident34 Ų3454.8 Ų54.822%0.22128%0.282CS..THydrogen-bonded Turntrans-64.4-25.1179.126-35.9000113.2Q187 A190 N485Q187-P483 HydrophobicContact CB-CG 4.48Å; Q187-P483 WeakPolarHBondContact O-CG 3.45Å; A190-P483 HydrophobicContact CB-CB 4.18Å; A190-P483 HydrophobicContact CB-CG 3.93Å; P483-N485 PolarHBondContact O-N 3.07Å; P483-N485 PolarHBondContact O-ND2 3.05Å
484L92.5Very high87.6Confident60 Ų6057.4 Ų57.431%0.31430%0.304SS..THydrogen-bonded Turntrans-78.40.8171.6-63.3173.3000113.3A186 Q187 A190 A269 D482 R486A186-L484 HydrophobicContact CB-CD1 3.96Å; Q187-L484 HydrophobicContact CG-CD1 4.35Å; Q187-L484 VanDerWaalsContact OE1-CB 3.27Å; Q187-L484 VanDerWaalsContact OE1-CG 3.32Å; A190-L484 HydrophobicContact CB-CD1 4.47Å; A190-L484 HydrophobicContact CB-CD2 3.68Å; A190-L484 HydrophobicContact CB-CG 3.81Å; A269-L484 HydrophobicContact CB-CD1 3.75Å; D482-L484 PolarHBondContact O-N 3.06Å; L484-R486 HydrophobicContact CB-CG 4.17Å; L484-R486 PolarHBondContact O-N 3.25Å
485N92.3Very high87.1Confident69 Ų6957.9 Ų57.937%0.36931%0.307SS..  trans54.533175.7-59.7-75.2000114.9D482 P483 R487 L488D482-N485 WeakPolarHBondContact O-CA 3.29Å; D482-N485 PolarHBondContact O-N 3.37Å; D482-N485 PolarHBondContact OD1-N 3.41Å; D482-N485 VanDerWaalsContact OD2-C 3.24Å; D482-N485 VanDerWaalsContact OD2-CA 3.31Å; D482-N485 WeakPolarHBondContact OD2-CA 3.47Å; P483-N485 PolarHBondContact O-N 3.07Å; P483-N485 PolarHBondContact O-ND2 3.05Å; N485-R487 PolarHBondContact O-N 2.56Å; N485-R487 VanDerWaalsContact OD1-CZ 3.32Å; N485-R487 PolarHBondContact OD1-NH1 2.87Å; N485-R487 VanDerWaalsContact OD1-NH1 3.09Å; N485-R487 PolarHBondContact OD1-NH2 2.77Å; N485-L488 HydrophobicContact CB-CD1 3.99Å; N485-L488 HydrophobicContact CB-CG 4.25Å; N485-L488 WeakPolarHBondContact O-CB 3.45Å; N485-L488 PolarHBondContact O-N 3.08Å
486R91.6Very high87.1Confident19 Ų1958.6 Ų58.67%0.07231%0.312CS..G310 helixtrans-58.2-30.3-179-61.1-170.856.161.322.9113.1A265 A325 F326 D482 L484 L488 S489A265-R486 PolarHBondContact O-NH1 3.24Å; A325-R486 VanDerWaalsContact O-CZ 3.23Å; A325-R486 PolarHBondContact O-NE 3.07Å; A325-R486 PolarHBondContact O-NH2 3.27Å; F326-R486 HydrophobicContact CB-CB 4.08Å; F326-R486 WeakPolarHBondContact CB-O 3.36Å; F326-R486 HydrophobicContact CD2-CB 4.01Å; F326-R486 HydrophobicContact CG-CB 4.45Å; D482-R486 VanDerWaalsContact CG-N 3.28Å; D482-R486 WeakPolarHBondContact OD1-CB 3.46Å; D482-R486 PolarHBondContact OD1-N 2.77Å; D482-R486 PolarHBondContact OD2-N 3.22Å; L484-R486 HydrophobicContact CB-CG 4.17Å; L484-R486 PolarHBondContact O-N 3.25Å; R486-L488 PolarHBondContact O-N 3.37Å; R486-L488 VanDerWaalsContact O-N 3.12Å; R486-S489 VanDerWaalsContact O-CB 3.25Å; R486-S489 WeakPolarHBondContact O-CB 3.06Å; R486-S489 PolarHBondContact O-N 2.95Å; R486-S489 PolarHBondContact O-OG 2.74Å
487R89.3Confident87.2Confident55 Ų5559.6 Ų59.621%0.20832%0.318CS..G310 helixtrans-58.6-20175.374.1-165.9175.3-81.2-7.8114.1F326 F399 D482 N485 S489F326-R487 HydrophobicContact CD1-CB 3.94Å; F326-R487 HydrophobicContact CD2-CB 4.27Å; F326-R487 HydrophobicContact CE1-CB 3.82Å; F326-R487 HydrophobicContact CE2-CB 4.14Å; F326-R487 HydrophobicContact CG-CB 4.16Å; F326-R487 HydrophobicContact CZ-CB 3.93Å; F399-R487 HydrophobicContact CD1-CB 4.12Å; F399-R487 HydrophobicContact CE1-CB 4.38Å; D482-R487 PolarHBondContact O-NH1 3.49Å; D482-R487 WeakPolarHBondContact OD2-CB 3.39Å; D482-R487 WeakPolarHBondContact OD2-CD 3.39Å; D482-R487 VanDerWaalsContact OD2-CG 3.29Å; D482-R487 WeakPolarHBondContact OD2-CG 3.05Å; D482-R487 IonicContact OD2-CZ 2.63Å; D482-R487 PolarHBondContact OD2-N 2.88Å; D482-R487 IonicContact OD2-NH1 2.74Å; D482-R487 PolarHBondContact OD2-NH1 3.3Å; N485-R487 PolarHBondContact O-N 2.56Å; N485-R487 VanDerWaalsContact OD1-CZ 3.32Å; N485-R487 PolarHBondContact OD1-NH1 2.87Å; N485-R487 VanDerWaalsContact OD1-NH1 3.09Å; N485-R487 PolarHBondContact OD1-NH2 2.77Å; R487-S489 VanDerWaalsContact C-N 3.26Å; R487-S489 PolarHBondContact O-N 3.34Å
488L87.5Confident87.4Confident67 Ų6754.6 Ų54.635%0.35130%0.296SS..G310 helixtrans-867.8178-50.7-175.8000112.6N485 R486 T490 E491N485-L488 HydrophobicContact CB-CD1 3.99Å; N485-L488 HydrophobicContact CB-CG 4.25Å; N485-L488 WeakPolarHBondContact O-CB 3.45Å; N485-L488 PolarHBondContact O-N 3.08Å; R486-L488 PolarHBondContact O-N 3.37Å; R486-L488 VanDerWaalsContact O-N 3.12Å; L488-T490 PolarHBondContact O-N 2.88Å; L488-E491 HydrophobicContact CB-CG 4.05Å; L488-E491 HydrophobicContact CD2-CG 4.39Å; L488-E491 WeakPolarHBondContact O-CB 3.16Å; L488-E491 PolarHBondContact O-N 3.22Å
489S84.3Confident87.8Confident28 Ų2852.6 Ų52.620%0.19629%0.286CS..G310 helixtrans-58.1-19.6178.461.30000114.5F326 V328 R486 R487 R493F326-S489 PolarHBondContact O-OG 3.47Å; V328-S489 PolarHBondContact O-OG 2.77Å; R486-S489 VanDerWaalsContact O-CB 3.25Å; R486-S489 WeakPolarHBondContact O-CB 3.06Å; R486-S489 PolarHBondContact O-N 2.95Å; R486-S489 PolarHBondContact O-OG 2.74Å; R487-S489 VanDerWaalsContact C-N 3.26Å; R487-S489 PolarHBondContact O-N 3.34Å; S489-R493 PolarHBondContact O-NH2 3.21Å
490T85Confident88.1Confident53 Ų5350.5 Ų50.533%0.32527%0.268SS..G310 helixtrans-92.7-7.2178.551.90000114.7P331 I334 L488P331-T490 HydrophobicContact CG-CG2 4.43Å; I334-T490 HydrophobicContact CD1-CG2 3.4Å; I334-T490 VanDerWaalsContact CD1-CG2 3.4Å; L488-T490 PolarHBondContact O-N 2.88Å
491E82.1Confident88.3Confident122 Ų12248.1 Ų48.157%0.5726%0.257SS*.SBendtrans-66.8146.9178.7-69.7-167.5150.500111.8L488 R493L488-E491 HydrophobicContact CB-CG 4.05Å; L488-E491 HydrophobicContact CD2-CG 4.39Å; L488-E491 WeakPolarHBondContact O-CB 3.16Å; L488-E491 PolarHBondContact O-N 3.22Å; E491-R493 PolarHBondContact O-N 3.07Å
492V74Confident88.4Confident147 Ų14748.2 Ų48.289%0.89126%0.258SS*.  trans-68.2106.4-177.1-1780000109.9
493R72.7Confident88.4Confident118 Ų11848.2 Ų48.245%0.44526%0.258SS..  trans-68.2145.5179.9-58-178-164.7154.212111.1S489 E491S489-R493 PolarHBondContact O-NH2 3.21Å; E491-R493 PolarHBondContact O-N 3.07Å
494P78.8Confident88.3Confident113 Ų11346.6 Ų46.673%0.73425%0.247SC*.  trans-63148.9172.427.6-34.9000111.4T496P494-T496 PolarHBondContact O-N 3.07Å; P494-T496 VanDerWaalsContact O-N 3.1Å
495D81.6Confident88.1Confident73 Ų7347.1 Ų47.139%0.3925%0.248SC..  trans-58.8114.7179-178.145.2000110.8V497 K609 R658D495-V497 PolarHBondContact O-N 2.79Å; D495-K609 WeakPolarHBondContact OD1-CE 3.43Å; D495-K609 IonicContact OD1-NZ 2.72Å; D495-R658 IonicContact OD2-CZ 3.53Å; D495-R658 VanDerWaalsContact OD2-CZ 3.24Å; D495-R658 IonicContact OD2-NE 3.67Å; D495-R658 PolarHBondContact OD2-NE 3.28Å; D495-R658 IonicContact OD2-NH2 3.52Å; D495-R658 PolarHBondContact OD2-NH2 3.02Å
496T89.1Confident87.9Confident26 Ų2646.3 Ų46.316%0.1624%0.244CC..  trans-72113.3-176.6-70.30000110.2P494 V498 K609 W612 P618P494-T496 PolarHBondContact O-N 3.07Å; P494-T496 VanDerWaalsContact O-N 3.1Å; T496-V498 HydrophobicContact CG2-CG2 4.4Å; T496-K609 VanDerWaalsContact O-CG 3.31Å; T496-K609 WeakPolarHBondContact O-CG 3.43Å; T496-W612 HydrophobicContact CG2-CB 3.84Å; T496-W612 HydrophobicContact CG2-CG 4.21Å; T496-P618 HydrophobicContact CG2-CG 3.77Å
497V93.3Very high87.8Confident21 Ų2149.3 Ų49.313%0.12726%0.259CS..PPolyproline II helixtrans-88.4116.4173.2-169.50000108.8D495 R658 V660D495-V497 PolarHBondContact O-N 2.79Å; V497-R658 HydrophobicContact CG1-CG 4.36Å; V497-V660 HydrophobicContact CG1-CG2 3.67Å
498V95.8Very high87.6Confident0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-85.4122.4-177.7-174.40000110T496 V500 L605 V608 K609 P618 V620 T657 R658 T659 V660T496-V498 HydrophobicContact CG2-CG2 4.4Å; V498-V500 HydrophobicContact CG1-CG2 4.45Å; V498-L605 HydrophobicContact CG1-CD2 3.7Å; V498-V608 HydrophobicContact CG1-CG1 4.21Å; V498-V608 HydrophobicContact CG2-CB 4.5Å; V498-V608 HydrophobicContact CG2-CG1 3.97Å; V498-K609 HydrophobicContact CG2-CB 3.89Å; V498-P618 HydrophobicContact CB-CG 4.48Å; V498-P618 HydrophobicContact CG1-CG 4.35Å; V498-P618 HydrophobicContact CG2-CG 4.16Å; V498-V620 HydrophobicContact CG1-CG2 3.92Å; V498-T657 HydrophobicContact CB-CG2 4Å; V498-T657 HydrophobicContact CG2-CG2 3.63Å; V498-R658 PolarHBondContact N-O 3.1Å; V498-T659 CarbonylContact O-C 3.47Å; V498-T659 VanDerWaalsContact O-CA 3.26Å; V498-T659 WeakPolarHBondContact O-CA 3.41Å; V498-V660 PolarHBondContact O-N 2.99Å
499Q96.6Very high87.6Confident3 Ų346.7 Ų46.71%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-82.9137.8176.5-56.1-179.1-6500108.6R617 P618 L619 V620 F667 T670 S671Q499-R617 HydrophobicContact CG-CB 4.06Å; Q499-P618 WeakPolarHBondContact CB-O 3.36Å; Q499-P618 PolarHBondContact N-O 2.95Å; Q499-L619 HydrophobicContact CB-CB 4.38Å; Q499-L619 HydrophobicContact CB-CD1 3.95Å; Q499-L619 WeakPolarHBondContact O-CA 2.97Å; Q499-V620 PolarHBondContact O-N 2.85Å; Q499-F667 HydrophobicContact CB-CD1 4.2Å; Q499-F667 HydrophobicContact CB-CD2 3.99Å; Q499-F667 HydrophobicContact CB-CE1 4.21Å; Q499-F667 HydrophobicContact CB-CE2 4.01Å; Q499-F667 HydrophobicContact CB-CG 4.06Å; Q499-F667 HydrophobicContact CB-CZ 4.09Å; Q499-F667 HydrophobicContact CG-CD1 4.13Å; Q499-F667 HydrophobicContact CG-CE1 4.27Å; Q499-F667 HydrophobicContact CG-CG 4.35Å; Q499-T670 PolarHBondContact NE2-OG1 3.33Å; Q499-S671 PolarHBondContact OE1-OG 3Å
500V96.3Very high87.9Confident0 Ų049.2 Ų49.20%026%0.255CS..EExtended strand (participates in β ladder)trans-132.1114.1-176.3-176.20000109.7V498 V502 L605 V620 F622 I649 T659 V660 M661 G662V498-V500 HydrophobicContact CG1-CG2 4.45Å; V500-V502 HydrophobicContact CG1-CG2 4.08Å; V500-L605 HydrophobicContact CG2-CD2 4.07Å; V500-V620 WeakPolarHBondContact CA-O 2.98Å; V500-F622 HydrophobicContact CG1-CD2 3.49Å; V500-F622 VanDerWaalsContact CG1-CD2 3.49Å; V500-F622 HydrophobicContact CG1-CE2 3.58Å; V500-I649 HydrophobicContact CB-CG2 3.87Å; V500-I649 HydrophobicContact CG1-CG2 3.93Å; V500-I649 HydrophobicContact CG2-CG2 4Å; V500-T659 HydrophobicContact CG2-CG2 4.29Å; V500-V660 PolarHBondContact N-O 3.27Å; V500-M661 WeakPolarHBondContact O-CA 3.35Å; V500-G662 PolarHBondContact O-N 3.01Å
501A94.5Very high88.1Confident0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-96138.6166.300000109.5L619 V620 V621 F622 G662 I664A501-L619 HydrophobicContact CB-CD1 4.07Å; A501-V620 PolarHBondContact N-O 2.71Å; A501-V621 HydrophobicContact CB-CG2 4.3Å; A501-F622 PolarHBondContact O-N 2.9Å; A501-G662 WeakPolarHBondContact CA-O 3.39Å; A501-I664 HydrophobicContact CB-CG1 3.66Å
502V93.7Very high88.3Confident5 Ų545.6 Ų45.63%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-123.2121.7177.2-174.70000108.2V500 V520 F622 F624 L646 M661V500-V502 HydrophobicContact CG1-CG2 4.08Å; V502-V520 HydrophobicContact CB-CG1 3.99Å; V502-V520 HydrophobicContact CG1-CG1 3.8Å; V502-V520 WeakPolarHBondContact O-CB 3.21Å; V502-F622 WeakPolarHBondContact CA-O 3.29Å; V502-F624 HydrophobicContact CG1-CD2 3.66Å; V502-F624 HydrophobicContact CG1-CE2 3.71Å; V502-L646 HydrophobicContact CG1-CD2 4.38Å; V502-L646 HydrophobicContact CG2-CD2 4.14Å; V502-M661 HydrophobicContact CB-CE 3.71Å; V502-M661 HydrophobicContact CG2-CE 3.6Å; V502-M661 HydrophobicContact CG2-SD 4.24Å
503L93.2Very high89Confident0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-117.6144.1-174.6-47.9-179.3000110.1E521 V523 V531 V621 F622 V623 F624 I664L503-E521 CarbonylContact C-O 3.37Å; L503-E521 VanDerWaalsContact CA-O 3.32Å; L503-E521 WeakPolarHBondContact CA-O 3.48Å; L503-E521 HydrophobicContact CD2-CG 3.39Å; L503-V523 HydrophobicContact CB-CG2 3.72Å; L503-V523 HydrophobicContact CD1-CG2 3.99Å; L503-V531 HydrophobicContact CD1-CB 4.47Å; L503-V531 HydrophobicContact CD1-CG1 4.06Å; L503-V531 HydrophobicContact CD1-CG2 3.87Å; L503-V621 HydrophobicContact CD1-CG1 3.5Å; L503-V621 HydrophobicContact CG-CG1 3.89Å; L503-F622 PolarHBondContact N-O 2.94Å; L503-V623 HydrophobicContact CB-CG2 4.15Å; L503-V623 HydrophobicContact CD1-CG2 3.96Å; L503-V623 HydrophobicContact CG-CG2 4.48Å; L503-V623 WeakPolarHBondContact O-CA 3.14Å; L503-F624 PolarHBondContact O-N 3.3Å; L503-I664 HydrophobicContact CD1-CD1 4.11Å; L503-I664 HydrophobicContact CD2-CD1 4.24Å; L503-I664 HydrophobicContact CD2-CG1 4.48Å
504A91Very high89.9Confident0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-97133.1169.800000110.3D506 V509 R510 V520 E521 L522 V523A504-D506 VanDerWaalsContact C-N 3.3Å; A504-V509 HydrophobicContact CB-CB 3.97Å; A504-V509 HydrophobicContact CB-CG1 3.62Å; A504-R510 HydrophobicContact CB-CB 3.81Å; A504-V520 HydrophobicContact CB-CG2 3.96Å; A504-E521 PolarHBondContact N-O 3.35Å; A504-L522 HydrophobicContact CB-CD2 4.06Å; A504-L522 CarbonylContact O-C 3.31Å; A504-L522 WeakPolarHBondContact O-CA 3.35Å; A504-V523 PolarHBondContact O-N 3.02Å
505E87.1Confident90.3Very high70 Ų7033.9 Ų33.933%0.32719%0.194SC..SBendtrans-65.4-37.7171.7-174177.1-159.900111.1V623 F624 S625E505-V623 HydrophobicContact CB-CG1 4.42Å; E505-F624 WeakPolarHBondContact CB-O 3.38Å; E505-F624 PolarHBondContact N-O 3.41Å; E505-S625 WeakPolarHBondContact OE2-CA 3.27Å; E505-S625 WeakPolarHBondContact OE2-CB 3.45Å
506D87.7Confident90.6Very high53 Ų5333 Ų3328%0.28319%0.187SC..SBendtrans-139.5170.8-174.965.553.4000113.4A504 D508 V509 R510 L522 S626A504-D506 VanDerWaalsContact C-N 3.3Å; D506-D508 VanDerWaalsContact C-N 3.3Å; D506-D508 PolarHBondContact O-N 2.76Å; D506-D508 WeakPolarHBondContact OD1-CA 3.39Å; D506-D508 WeakPolarHBondContact OD1-CB 3.48Å; D506-D508 PolarHBondContact OD1-N 3.04Å; D506-V509 PolarHBondContact OD1-N 3.01Å; D506-R510 PolarHBondContact O-N 2.98Å; D506-R510 VanDerWaalsContact O-N 3.09Å; D506-L522 VanDerWaalsContact C-CD2 3.44Å; D506-L522 WeakPolarHBondContact O-CD2 3.43Å; D506-S626 WeakPolarHBondContact OD2-CB 3.23Å
507E89.1Confident90.5Very high81 Ų8133.9 Ų33.938%0.37920%0.201SC..Hα-helixtrans-70.1-24.3-177.2-170.459-117.400113.5R510 S511E507-R510 IonicContact OE1-CZ 3.03Å; E507-R510 IonicContact OE1-NE 3.32Å; E507-R510 PolarHBondContact OE1-NE 3.1Å; E507-R510 IonicContact OE1-NH2 3.77Å; E507-R510 PolarHBondContact OE1-NH2 2.74Å; E507-R510 IonicContact OE2-CZ 2.88Å; E507-R510 VanDerWaalsContact OE2-CZ 3.23Å; E507-R510 IonicContact OE2-NE 3.96Å; E507-R510 PolarHBondContact OE2-NE 3Å; E507-R510 IonicContact OE2-NH2 2.69Å; E507-R510 PolarHBondContact OE2-NH2 3.35Å; E507-S511 VanDerWaalsContact O-CB 3.25Å; E507-S511 WeakPolarHBondContact O-CB 3.36Å; E507-S511 PolarHBondContact O-N 3.3Å; E507-S511 PolarHBondContact O-OG 2.79Å
508D86.6Confident90.3Very high68 Ų6832.9 Ų32.936%0.36420%0.195SC..Hα-helixtrans-71.8-44.6177.5168.980.7000110.2D506 K512 S626D506-D508 VanDerWaalsContact C-N 3.3Å; D506-D508 PolarHBondContact O-N 2.76Å; D506-D508 WeakPolarHBondContact OD1-CA 3.39Å; D506-D508 WeakPolarHBondContact OD1-CB 3.48Å; D506-D508 PolarHBondContact OD1-N 3.04Å; D508-K512 WeakPolarHBondContact O-CB 3.34Å; D508-K512 WeakPolarHBondContact O-CD 3.47Å; D508-K512 VanDerWaalsContact O-CG 3.26Å; D508-K512 WeakPolarHBondContact O-CG 3.43Å; D508-K512 PolarHBondContact O-N 3.13Å; D508-K512 WeakPolarHBondContact OD1-CE 3.45Å; D508-K512 IonicContact OD1-NZ 3.9Å; D508-K512 PolarHBondContact OD1-NZ 3.27Å; D508-K512 IonicContact OD2-NZ 2.71Å; D508-K512 PolarHBondContact OD2-NZ 2.94Å; D508-S626 PolarHBondContact OD2-OG 3.42Å
509V86.6Confident90.1Very high0 Ų037.9 Ų37.90%022%0.222CC..Hα-helixtrans-59.5-49.3169.21720000111.3A504 D506 S511 K512 L513 F624 S625 S626 V629A504-V509 HydrophobicContact CB-CB 3.97Å; A504-V509 HydrophobicContact CB-CG1 3.62Å; D506-V509 PolarHBondContact OD1-N 3.01Å; V509-S511 PolarHBondContact O-N 3.18Å; V509-K512 PolarHBondContact O-N 3.35Å; V509-L513 HydrophobicContact CG1-CD1 3.75Å; V509-L513 HydrophobicContact CG1-CG 4.37Å; V509-L513 WeakPolarHBondContact O-CG 3.45Å; V509-L513 PolarHBondContact O-N 2.86Å; V509-F624 HydrophobicContact CG1-CB 3.96Å; V509-S625 VanDerWaalsContact CG2-C 3.43Å; V509-S626 VanDerWaalsContact CG2-CA 3.41Å; V509-V629 HydrophobicContact CG1-CG2 4.02Å; V509-V629 HydrophobicContact CG2-CB 4.27Å; V509-V629 HydrophobicContact CG2-CG2 4.11Å
510R90.6Very high89.8Confident81 Ų8138 Ų3831%0.30622%0.223SC..Hα-helixtrans-58.3-49-179.2-174.6175.373.4149.30.9111.1A504 D506 E507 K512 L513 A514 V520 L522A504-R510 HydrophobicContact CB-CB 3.81Å; D506-R510 PolarHBondContact O-N 2.98Å; D506-R510 VanDerWaalsContact O-N 3.09Å; E507-R510 IonicContact OE1-CZ 3.03Å; E507-R510 IonicContact OE1-NE 3.32Å; E507-R510 PolarHBondContact OE1-NE 3.1Å; E507-R510 IonicContact OE1-NH2 3.77Å; E507-R510 PolarHBondContact OE1-NH2 2.74Å; E507-R510 IonicContact OE2-CZ 2.88Å; E507-R510 VanDerWaalsContact OE2-CZ 3.23Å; E507-R510 IonicContact OE2-NE 3.96Å; E507-R510 PolarHBondContact OE2-NE 3Å; E507-R510 IonicContact OE2-NH2 2.69Å; E507-R510 PolarHBondContact OE2-NH2 3.35Å; R510-K512 VanDerWaalsContact C-N 3.33Å; R510-K512 PolarHBondContact O-N 2.63Å; R510-L513 PolarHBondContact O-N 2.89Å; R510-A514 VanDerWaalsContact O-CB 3.25Å; R510-A514 WeakPolarHBondContact O-CB 3.47Å; R510-A514 PolarHBondContact O-N 3.4Å; R510-V520 HydrophobicContact CB-CG2 4.3Å; R510-V520 WeakPolarHBondContact CD-O 3.41Å; R510-V520 HydrophobicContact CG-CG2 3.93Å; R510-V520 WeakPolarHBondContact CG-O 3.42Å; R510-L522 HydrophobicContact CB-CD2 4.02Å
511S88.9Confident89.6Confident61 Ų6139.5 Ų39.543%0.42723%0.23SC..Hα-helixtrans-60-42.1179.4-63.20000112.1E507 V509 A515E507-S511 VanDerWaalsContact O-CB 3.25Å; E507-S511 WeakPolarHBondContact O-CB 3.36Å; E507-S511 PolarHBondContact O-N 3.3Å; E507-S511 PolarHBondContact O-OG 2.79Å; V509-S511 PolarHBondContact O-N 3.18Å; S511-A515 WeakPolarHBondContact O-CB 3.42Å; S511-A515 PolarHBondContact O-N 3.28Å
512K87.3Confident89.4Confident37 Ų3740.6 Ų40.616%0.16124%0.235CC..Hα-helixtrans-67.6-39.6178.8-77.1169.7-177.2159.20113.5D508 V509 R510 Q516 V629 T630 K636 V638D508-K512 WeakPolarHBondContact O-CB 3.34Å; D508-K512 WeakPolarHBondContact O-CD 3.47Å; D508-K512 VanDerWaalsContact O-CG 3.26Å; D508-K512 WeakPolarHBondContact O-CG 3.43Å; D508-K512 PolarHBondContact O-N 3.13Å; D508-K512 WeakPolarHBondContact OD1-CE 3.45Å; D508-K512 IonicContact OD1-NZ 3.9Å; D508-K512 PolarHBondContact OD1-NZ 3.27Å; D508-K512 IonicContact OD2-NZ 2.71Å; D508-K512 PolarHBondContact OD2-NZ 2.94Å; V509-K512 PolarHBondContact O-N 3.35Å; R510-K512 VanDerWaalsContact C-N 3.33Å; R510-K512 PolarHBondContact O-N 2.63Å; K512-Q516 PolarHBondContact O-N 2.97Å; K512-V629 HydrophobicContact CB-CG1 4.11Å; K512-V629 HydrophobicContact CD-CG1 4.07Å; K512-T630 HydrophobicContact CD-CG2 4.39Å; K512-K636 WeakPolarHBondContact CE-O 3.36Å; K512-V638 HydrophobicContact CB-CG2 3.7Å
513L88.3Confident89Confident0 Ų041.3 Ų41.30%024%0.24CC..Hα-helixtrans-71.9-40.9175.6-69.5174.2000111.6V509 R510 A515 Q516 G517 I518 V520 V638 L646V509-L513 HydrophobicContact CG1-CD1 3.75Å; V509-L513 HydrophobicContact CG1-CG 4.37Å; V509-L513 WeakPolarHBondContact O-CG 3.45Å; V509-L513 PolarHBondContact O-N 2.86Å; R510-L513 PolarHBondContact O-N 2.89Å; L513-A515 PolarHBondContact O-N 3.43Å; L513-Q516 CarbonylContact O-C 3.42Å; L513-Q516 WeakPolarHBondContact O-CA 3.33Å; L513-Q516 WeakPolarHBondContact O-CB 3.5Å; L513-Q516 PolarHBondContact O-N 3.49Å; L513-G517 PolarHBondContact O-N 2.75Å; L513-I518 CarbonylContact C-O 3.53Å; L513-I518 HydrophobicContact CB-CB 4.36Å; L513-I518 HydrophobicContact CD2-CD1 4.35Å; L513-I518 WeakPolarHBondContact O-CB 3.33Å; L513-I518 PolarHBondContact O-N 3.38Å; L513-V520 HydrophobicContact CB-CG2 4.18Å; L513-V520 HydrophobicContact CD1-CG1 4.19Å; L513-V520 HydrophobicContact CD1-CG2 4.07Å; L513-V638 HydrophobicContact CD2-CG1 4.17Å; L513-L646 HydrophobicContact CD2-CD1 3.83Å
514A90.7Very high88.4Confident48 Ų4845.6 Ų45.640%0.39728%0.275SS..Hα-helixtrans-61.2-42.6175.300000112.1R510 Q516 G517 I518R510-A514 VanDerWaalsContact O-CB 3.25Å; R510-A514 WeakPolarHBondContact O-CB 3.47Å; R510-A514 PolarHBondContact O-N 3.4Å; A514-Q516 PolarHBondContact O-N 3.31Å; A514-Q516 VanDerWaalsContact O-N 3.17Å; A514-G517 WeakPolarHBondContact O-CA 3.49Å; A514-G517 PolarHBondContact O-N 3.17Å; A514-I518 WeakPolarHBondContact CA-O 3.17Å; A514-I518 PolarHBondContact N-O 3.01Å
515A88.2Confident88Confident85 Ų8550.3 Ų50.370%0.70230%0.301SS*.Hα-helixtrans-59.8-23.9173.800000113.4S511 L513S511-A515 WeakPolarHBondContact O-CB 3.42Å; S511-A515 PolarHBondContact O-N 3.28Å; L513-A515 PolarHBondContact O-N 3.43Å
516Q87Confident87.6Confident55 Ų5547.1 Ų47.126%0.25729%0.286SS..THydrogen-bonded Turntrans-90.96174.1-69.6-64.3-2500113.6K512 L513 A514 I518 V638 I643 K647K512-Q516 PolarHBondContact O-N 2.97Å; L513-Q516 CarbonylContact O-C 3.42Å; L513-Q516 WeakPolarHBondContact O-CA 3.33Å; L513-Q516 WeakPolarHBondContact O-CB 3.5Å; L513-Q516 PolarHBondContact O-N 3.49Å; A514-Q516 PolarHBondContact O-N 3.31Å; A514-Q516 VanDerWaalsContact O-N 3.17Å; Q516-I518 HydrophobicContact CB-CD1 4.37Å; Q516-V638 HydrophobicContact CG-CG2 4.34Å; Q516-I643 HydrophobicContact CB-CG1 4.36Å; Q516-I643 HydrophobicContact CB-CG2 4.32Å; Q516-I643 VanDerWaalsContact CD-CD1 3.48Å; Q516-I643 HydrophobicContact CG-CD1 3.73Å; Q516-I643 HydrophobicContact CG-CG1 3.99Å; Q516-K647 WeakPolarHBondContact O-CE 3.33Å; Q516-K647 PolarHBondContact O-NZ 2.94Å
517G88.7Confident86.7Confident44 Ų4448.6 Ų48.645%0.45429%0.294SS..THydrogen-bonded Turntrans82.618.6-179.200000114.3L513 A514 K650L513-G517 PolarHBondContact O-N 2.75Å; A514-G517 WeakPolarHBondContact O-CA 3.49Å; A514-G517 PolarHBondContact O-N 3.17Å; G517-K650 PolarHBondContact O-NZ 3.3Å
518I89.3Confident86.4Confident0 Ų048.1 Ų48.10%030%0.298CS..  trans-114.992.3-178.6-52.1161.8000107.7L513 A514 Q516 V520 L646 K647 M661L513-I518 CarbonylContact C-O 3.53Å; L513-I518 HydrophobicContact CB-CB 4.36Å; L513-I518 HydrophobicContact CD2-CD1 4.35Å; L513-I518 WeakPolarHBondContact O-CB 3.33Å; L513-I518 PolarHBondContact O-N 3.38Å; A514-I518 WeakPolarHBondContact CA-O 3.17Å; A514-I518 PolarHBondContact N-O 3.01Å; Q516-I518 HydrophobicContact CB-CD1 4.37Å; I518-V520 HydrophobicContact CG2-CG1 4Å; I518-L646 HydrophobicContact CD1-CB 3.68Å; I518-L646 HydrophobicContact CD1-CD1 4.08Å; I518-K647 HydrophobicContact CD1-CG 4.44Å; I518-K647 HydrophobicContact CG1-CG 4.43Å; I518-M661 HydrophobicContact CG2-CE 3.6Å; I518-M661 HydrophobicContact CG2-SD 4.42Å
519D89.7Confident86.6Confident105 Ų10546.4 Ų46.456%0.56129%0.287SS*.  trans-67.8134.7172.8-175.739.5000110K663D519-K663 IonicContact OD2-NZ 3.4Å
520V90.9Very high86.7Confident5 Ų546.6 Ų46.63%0.0329%0.288CS..  trans-146.6145.8-176.2-61.90000110.3V502 A504 R510 L513 I518 M661V502-V520 HydrophobicContact CB-CG1 3.99Å; V502-V520 HydrophobicContact CG1-CG1 3.8Å; V502-V520 WeakPolarHBondContact O-CB 3.21Å; A504-V520 HydrophobicContact CB-CG2 3.96Å; R510-V520 HydrophobicContact CB-CG2 4.3Å; R510-V520 WeakPolarHBondContact CD-O 3.41Å; R510-V520 HydrophobicContact CG-CG2 3.93Å; R510-V520 WeakPolarHBondContact CG-O 3.42Å; L513-V520 HydrophobicContact CB-CG2 4.18Å; L513-V520 HydrophobicContact CD1-CG1 4.19Å; L513-V520 HydrophobicContact CD1-CG2 4.07Å; I518-V520 HydrophobicContact CG2-CG1 4Å; V520-M661 HydrophobicContact CG1-CE 4.23Å
521E91.7Very high86.8Confident32 Ų3243.4 Ų43.415%0.1528%0.278CS..EExtended strand (participates in β ladder)trans-88.6149.6175.964.1-159.5164.800111.5L503 A504 K663 I664L503-E521 CarbonylContact C-O 3.37Å; L503-E521 VanDerWaalsContact CA-O 3.32Å; L503-E521 WeakPolarHBondContact CA-O 3.48Å; L503-E521 HydrophobicContact CD2-CG 3.39Å; A504-E521 PolarHBondContact N-O 3.35Å; E521-K663 WeakPolarHBondContact OE1-CA 3.48Å; E521-K663 WeakPolarHBondContact OE1-CB 3.48Å; E521-K663 WeakPolarHBondContact OE2-CB 3.45Å; E521-K663 WeakPolarHBondContact OE2-CD 3.22Å; E521-K663 WeakPolarHBondContact OE2-CG 3.28Å; E521-I664 PolarHBondContact OE1-N 3.34Å
522L90.4Very high86.8Confident22 Ų2241.2 Ų41.212%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-71.1143.3170.8-65.8176.8000109A504 D506 R510 A524 N525 A526A504-L522 HydrophobicContact CB-CD2 4.06Å; A504-L522 CarbonylContact O-C 3.31Å; A504-L522 WeakPolarHBondContact O-CA 3.35Å; D506-L522 VanDerWaalsContact C-CD2 3.44Å; D506-L522 WeakPolarHBondContact O-CD2 3.43Å; R510-L522 HydrophobicContact CB-CD2 4.02Å; L522-A524 PolarHBondContact O-N 3.02Å; L522-N525 HydrophobicContact CB-CB 4.1Å; L522-N525 WeakPolarHBondContact O-CA 3.33Å; L522-N525 PolarHBondContact O-N 2.64Å; L522-A526 PolarHBondContact O-N 3.42Å
523V86.3Confident86.8Confident20 Ų2041.2 Ų41.212%0.12127%0.265CS..G310 helixtrans-54.8-37172.3-179.40000111.2L503 A504 N525 A526 V531 V623 L705L503-V523 HydrophobicContact CB-CG2 3.72Å; L503-V523 HydrophobicContact CD1-CG2 3.99Å; A504-V523 PolarHBondContact O-N 3.02Å; V523-N525 VanDerWaalsContact C-N 3.25Å; V523-N525 PolarHBondContact O-N 3.28Å; V523-A526 PolarHBondContact O-N 2.84Å; V523-V531 HydrophobicContact CG1-CB 4.21Å; V523-V623 HydrophobicContact CG2-CG1 3.84Å; V523-V623 HydrophobicContact CG2-CG2 3.88Å; V523-L705 HydrophobicContact CG1-CD1 4.12Å
524A79.7Confident86.7Confident90 Ų9041.5 Ų41.574%0.74427%0.267SS*.G310 helixtrans-69.9-15.4176.600000114.8L522L522-A524 PolarHBondContact O-N 3.02Å
525N83.2Confident86.4Confident100 Ų10043.1 Ų43.154%0.53527%0.267SS..G310 helixtrans-104.3-0.4180-677.7000112.7L522 V523 D527L522-N525 HydrophobicContact CB-CB 4.1Å; L522-N525 WeakPolarHBondContact O-CA 3.33Å; L522-N525 PolarHBondContact O-N 2.64Å; V523-N525 VanDerWaalsContact C-N 3.25Å; V523-N525 PolarHBondContact O-N 3.28Å; N525-D527 PolarHBondContact O-N 3.02Å; N525-D527 VanDerWaalsContact O-N 3.08Å
526A78.6Confident86.4Confident2 Ų239.4 Ų39.42%0.01724%0.235CC..  trans-76.920.5-179.500000113.7L522 V523 F529L522-A526 PolarHBondContact O-N 3.42Å; V523-A526 PolarHBondContact O-N 2.84Å; A526-F529 WeakPolarHBondContact O-CA 3.23Å; A526-F529 WeakPolarHBondContact O-CB 3.19Å; A526-F529 WeakPolarHBondContact O-CD2 3.23Å; A526-F529 PolarHBondContact O-N 3.32Å
527D68.8Low86.6Confident84 Ų8436.8 Ų36.845%0.44922%0.223SC..THydrogen-bonded Turntrans-64136.7176.4-171.582.3000110.3N525 Q701N525-D527 PolarHBondContact O-N 3.02Å; N525-D527 VanDerWaalsContact O-N 3.08Å; D527-Q701 PolarHBondContact OD1-NE2 3.5Å; D527-Q701 PolarHBondContact OD2-NE2 2.85Å
528P83.5Confident86.6Confident72 Ų7234.7 Ų34.747%0.46820%0.201SC..THydrogen-bonded Turncis-89.213.412.437.5-38.6000115.9
529F89.6Confident86.6Confident31 Ų3139 Ų3914%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-84.9131.2-176-46.6-71.6000112.3A526 I575 I664 V668A526-F529 WeakPolarHBondContact O-CA 3.23Å; A526-F529 WeakPolarHBondContact O-CB 3.19Å; A526-F529 WeakPolarHBondContact O-CD2 3.23Å; A526-F529 PolarHBondContact O-N 3.32Å; F529-I575 CarbonylContact C-O 3.52Å; F529-I575 WeakPolarHBondContact CA-O 3.19Å; F529-I575 HydrophobicContact CD1-CB 3.85Å; F529-I575 HydrophobicContact CD1-CD1 4.31Å; F529-I575 HydrophobicContact CD1-CG2 3.77Å; F529-I575 HydrophobicContact CE1-CB 4.27Å; F529-I575 HydrophobicContact CE1-CD1 3.83Å; F529-I575 HydrophobicContact CE1-CG2 4.24Å; F529-I664 HydrophobicContact CB-CG2 3.98Å; F529-I664 HydrophobicContact CD1-CG2 3.71Å; F529-I664 HydrophobicContact CD2-CB 3.86Å; F529-I664 HydrophobicContact CD2-CG2 3.61Å; F529-I664 HydrophobicContact CE1-CG2 4.15Å; F529-I664 HydrophobicContact CE2-CB 4.28Å; F529-I664 HydrophobicContact CE2-CG2 4.07Å; F529-I664 HydrophobicContact CG-CB 4.18Å; F529-I664 HydrophobicContact CG-CG2 3.45Å; F529-I664 VanDerWaalsContact CG-CG2 3.45Å; F529-I664 HydrophobicContact CZ-CG2 4.34Å; F529-V668 HydrophobicContact CE1-CG2 3.47Å; F529-V668 VanDerWaalsContact CE1-CG2 3.47Å; F529-V668 HydrophobicContact CZ-CG2 3.51Å
530V90.5Very high86.7Confident4 Ų434 Ų342%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-98.4105.8177.8-172.30000109.4L532 R574 I575 F576 V577 I696V530-L532 HydrophobicContact CG1-CD1 4.16Å; V530-L532 HydrophobicContact CG1-CD2 4.42Å; V530-L532 HydrophobicContact CG1-CG 4.07Å; V530-R574 HydrophobicContact CG2-CB 4.44Å; V530-I575 PolarHBondContact N-O 3.15Å; V530-F576 HydrophobicContact CB-CD1 3.8Å; V530-F576 HydrophobicContact CB-CE1 3.99Å; V530-F576 HydrophobicContact CB-CG 4.15Å; V530-F576 HydrophobicContact CB-CZ 4.46Å; V530-F576 HydrophobicContact CG1-CD1 3.84Å; V530-F576 HydrophobicContact CG1-CE1 3.77Å; V530-F576 HydrophobicContact CG2-CE1 4.4Å; V530-F576 HydrophobicContact CG2-CZ 4.41Å; V530-F576 WeakPolarHBondContact O-CA 3.5Å; V530-V577 PolarHBondContact O-N 2.9Å; V530-I696 HydrophobicContact CG1-CG2 3.83Å; V530-I696 HydrophobicContact CG2-CG2 4.27Å
531V91.1Very high86.7Confident14 Ų1434 Ų349%0.08519%0.19CC..EExtended strand (participates in β ladder)trans-91.8122.7-178.7-175.60000110.7L503 V523 V577 T579 V621 V623 I664L503-V531 HydrophobicContact CD1-CB 4.47Å; L503-V531 HydrophobicContact CD1-CG1 4.06Å; L503-V531 HydrophobicContact CD1-CG2 3.87Å; V523-V531 HydrophobicContact CG1-CB 4.21Å; V531-V577 WeakPolarHBondContact CA-O 3.43Å; V531-T579 HydrophobicContact CG1-CG2 3.93Å; V531-V621 HydrophobicContact CG1-CG1 4.42Å; V531-V623 HydrophobicContact CG1-CG2 4.26Å; V531-I664 HydrophobicContact CG2-CD1 3.87Å
532L89.8Confident86.6Confident15 Ų1532.9 Ų32.98%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-136.9158.1-175.5-65.8176.5000112.6V530 I536 F576 V577 F578 T579 I696V530-L532 HydrophobicContact CG1-CD1 4.16Å; V530-L532 HydrophobicContact CG1-CD2 4.42Å; V530-L532 HydrophobicContact CG1-CG 4.07Å; L532-I536 HydrophobicContact CB-CB 4.48Å; L532-I536 HydrophobicContact CD1-CG2 3.98Å; L532-F576 HydrophobicContact CD1-CD1 3.77Å; L532-F576 HydrophobicContact CD1-CE1 3.96Å; L532-V577 PolarHBondContact N-O 2.66Å; L532-F578 HydrophobicContact CB-CD1 3.88Å; L532-F578 HydrophobicContact CB-CE1 3.73Å; L532-F578 HydrophobicContact CD1-CE1 4.22Å; L532-F578 CarbonylContact O-C 3.48Å; L532-F578 VanDerWaalsContact O-CA 3.23Å; L532-F578 WeakPolarHBondContact O-CA 3.27Å; L532-T579 PolarHBondContact O-N 3.48Å; L532-I696 HydrophobicContact CD1-CD1 4.3Å
533P87Confident86.5Confident37 Ų3732.5 Ų32.524%0.2418%0.184CC..EExtended strand (participates in β ladder)trans-75.2149.1174.929.8-33.3000112.7Q535 I536 T579P533-Q535 PolarHBondContact O-N 3.24Å; P533-I536 HydrophobicContact CG-CG1 4.14Å; P533-I536 PolarHBondContact O-N 3.47Å; P533-T579 WeakPolarHBondContact CA-OG1 3.48Å
534A87.1Confident86.7Confident6 Ų632 Ų325%0.0518%0.18CC..Hα-helixtrans-44.3-37.3-178.200000115.4I536 L537 G538 T565 T579 Q581A534-I536 PolarHBondContact O-N 3.07Å; A534-I536 VanDerWaalsContact O-N 3.16Å; A534-L537 WeakPolarHBondContact O-CB 3.4Å; A534-L537 PolarHBondContact O-N 2.8Å; A534-G538 PolarHBondContact O-N 3.21Å; A534-T565 HydrophobicContact CB-CG2 3.68Å; A534-T579 PolarHBondContact N-O 2.85Å; A534-Q581 HydrophobicContact CB-CB 4.28Å
535Q83.3Confident87.3Confident82 Ų8228.1 Ų28.138%0.38315%0.15SC..Hα-helixtrans-58.3-30.1-179.8-161.7-167.619.500113P533 G538 R539 R587P533-Q535 PolarHBondContact O-N 3.24Å; Q535-G538 PolarHBondContact O-N 2.98Å; Q535-R539 WeakPolarHBondContact O-CG 3.44Å; Q535-R539 PolarHBondContact O-N 3.46Å; Q535-R587 VanDerWaalsContact NE2-NH2 3.18Å
536I89Confident87.7Confident7 Ų726.7 Ų26.74%0.03614%0.137CC..Hα-helixtrans-71.2-37.1178.3-56.2-56.9000111.1L532 P533 A534 G538 R539 M540 F578 F692 L707L532-I536 HydrophobicContact CB-CB 4.48Å; L532-I536 HydrophobicContact CD1-CG2 3.98Å; P533-I536 HydrophobicContact CG-CG1 4.14Å; P533-I536 PolarHBondContact O-N 3.47Å; A534-I536 PolarHBondContact O-N 3.07Å; A534-I536 VanDerWaalsContact O-N 3.16Å; I536-G538 VanDerWaalsContact C-N 3.25Å; I536-G538 PolarHBondContact O-N 3.4Å; I536-R539 PolarHBondContact O-N 3.26Å; I536-R539 VanDerWaalsContact O-N 3.16Å; I536-M540 HydrophobicContact CG2-CE 4.05Å; I536-M540 HydrophobicContact CG2-SD 4.43Å; I536-M540 WeakPolarHBondContact O-CG 3.44Å; I536-M540 PolarHBondContact O-N 2.98Å; I536-F578 HydrophobicContact CB-CE1 4.3Å; I536-F692 HydrophobicContact CD1-CZ 4.12Å; I536-F692 HydrophobicContact CG1-CZ 4.38Å; I536-F692 HydrophobicContact CG2-CE1 3.55Å; I536-F692 HydrophobicContact CG2-CZ 3.84Å; I536-L707 HydrophobicContact CD1-CD1 4.07Å
537L91.4Very high88.3Confident0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-62.3-36.4173.1-172.154.2000111A534 M540 Y541 V560 Y569 F578 L676A534-L537 WeakPolarHBondContact O-CB 3.4Å; A534-L537 PolarHBondContact O-N 2.8Å; L537-M540 HydrophobicContact CD1-SD 4.3Å; L537-M540 WeakPolarHBondContact O-CB 3.48Å; L537-M540 PolarHBondContact O-N 3.16Å; L537-Y541 HydrophobicContact CD1-CD2 3.81Å; L537-Y541 HydrophobicContact CD1-CE2 3.7Å; L537-Y541 HydrophobicContact CG-CD2 4.21Å; L537-Y541 HydrophobicContact CG-CE2 4.29Å; L537-Y541 WeakPolarHBondContact O-CD2 3.41Å; L537-Y541 PolarHBondContact O-N 3.34Å; L537-V560 HydrophobicContact CB-CG2 4.35Å; L537-V560 HydrophobicContact CD2-CG1 3.89Å; L537-V560 HydrophobicContact CG-CG1 4.23Å; L537-Y569 HydrophobicContact CD1-CD1 4.45Å; L537-Y569 HydrophobicContact CD1-CD2 4.27Å; L537-Y569 HydrophobicContact CD1-CE1 4.21Å; L537-Y569 HydrophobicContact CD1-CE2 4.02Å; L537-Y569 HydrophobicContact CD1-CG 4.45Å; L537-Y569 HydrophobicContact CD2-CD2 4.26Å; L537-Y569 HydrophobicContact CD2-CE2 3.48Å; L537-Y569 VanDerWaalsContact CD2-CE2 3.48Å; L537-Y569 HydrophobicContact CG-CE2 4.43Å; L537-F578 HydrophobicContact CB-CD1 3.78Å; L537-F578 HydrophobicContact CB-CD2 4.22Å; L537-F578 HydrophobicContact CB-CE1 3.76Å; L537-F578 HydrophobicContact CB-CE2 4.22Å; L537-F578 HydrophobicContact CB-CG 4.01Å; L537-F578 HydrophobicContact CB-CZ 3.99Å; L537-F578 HydrophobicContact CD1-CD2 4.22Å; L537-F578 HydrophobicContact CD1-CE2 3.74Å; L537-F578 HydrophobicContact CD1-CZ 3.94Å; L537-F578 HydrophobicContact CD2-CB 4.42Å; L537-F578 HydrophobicContact CD2-CD2 3.7Å; L537-F578 HydrophobicContact CD2-CE2 4.1Å; L537-F578 HydrophobicContact CD2-CG 3.97Å; L537-F578 HydrophobicContact CG-CD2 4.28Å; L537-F578 HydrophobicContact CG-CE2 4.25Å; L537-F578 HydrophobicContact CG-CZ 4.43Å; L537-L676 HydrophobicContact CD1-CD1 4.37Å
538G88.7Confident89.2Confident0 Ų026.6 Ų26.60%015%0.146CC..Hα-helixtrans-62.2-46.4171.900000112.4A534 Q535 I536 M540 Y541 A542 M558 V560A534-G538 PolarHBondContact O-N 3.21Å; Q535-G538 PolarHBondContact O-N 2.98Å; I536-G538 VanDerWaalsContact C-N 3.25Å; I536-G538 PolarHBondContact O-N 3.4Å; G538-M540 VanDerWaalsContact C-N 3.3Å; G538-M540 PolarHBondContact O-N 3.03Å; G538-Y541 PolarHBondContact O-N 2.9Å; G538-A542 WeakPolarHBondContact O-CB 3.12Å; G538-A542 PolarHBondContact O-N 3.28Å; G538-M558 WeakPolarHBondContact CA-O 3.49Å; G538-V560 VanDerWaalsContact CA-CG2 3.42Å; G538-V560 VanDerWaalsContact N-CG2 3.31Å
539R88.6Confident89.6Confident90 Ų9030.7 Ų30.734%0.3416%0.157SC..Hα-helixtrans-63.8-31175.4-69.3176.5165.5-125.2-3.4113.7Q535 I536 Q543 M558 E688 M689Q535-R539 WeakPolarHBondContact O-CG 3.44Å; Q535-R539 PolarHBondContact O-N 3.46Å; I536-R539 PolarHBondContact O-N 3.26Å; I536-R539 VanDerWaalsContact O-N 3.16Å; R539-Q543 PolarHBondContact O-NE2 3.35Å; R539-Q543 VanDerWaalsContact O-NE2 3.1Å; R539-M558 HydrophobicContact CB-CE 4.09Å; R539-M558 HydrophobicContact CG-CE 3.51Å; R539-E688 IonicContact NH1-OE1 3.8Å; R539-E688 PolarHBondContact NH1-OE1 3.18Å; R539-M689 HydrophobicContact CB-CE 3.52Å
540M91Very high89.7Confident0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-68.8-50172.3-73.9166.2169.800111.1I536 L537 G538 A542 Q543 F576 F578 L676 L679 M689 L693I536-M540 HydrophobicContact CG2-CE 4.05Å; I536-M540 HydrophobicContact CG2-SD 4.43Å; I536-M540 WeakPolarHBondContact O-CG 3.44Å; I536-M540 PolarHBondContact O-N 2.98Å; L537-M540 HydrophobicContact CD1-SD 4.3Å; L537-M540 WeakPolarHBondContact O-CB 3.48Å; L537-M540 PolarHBondContact O-N 3.16Å; G538-M540 VanDerWaalsContact C-N 3.3Å; G538-M540 PolarHBondContact O-N 3.03Å; M540-A542 VanDerWaalsContact C-N 3.26Å; M540-A542 PolarHBondContact O-N 3.45Å; M540-Q543 WeakPolarHBondContact O-CB 3.3Å; M540-Q543 VanDerWaalsContact O-CG 3.29Å; M540-Q543 WeakPolarHBondContact O-CG 3.5Å; M540-Q543 PolarHBondContact O-N 3.26Å; M540-Q543 VanDerWaalsContact O-N 3.12Å; M540-F576 HydrophobicContact CE-CD1 4.03Å; M540-F576 HydrophobicContact CE-CE1 4.02Å; M540-F578 HydrophobicContact CE-CZ 4.17Å; M540-F578 HydrophobicContact SD-CE1 4.36Å; M540-F578 HydrophobicContact SD-CZ 3.75Å; M540-L676 HydrophobicContact SD-CD1 4.49Å; M540-L679 HydrophobicContact CB-CD1 4.04Å; M540-L679 HydrophobicContact CG-CD1 3.95Å; M540-L679 HydrophobicContact SD-CD1 4.42Å; M540-M689 HydrophobicContact CG-SD 4.37Å; M540-L693 HydrophobicContact CE-CD2 3.61Å
541Y91.5Very high89.9Confident6 Ų637 Ų372%0.02419%0.191CC..Hα-helixtrans-68.3-21.4177.9-88.7-98.1000113.6H287 M289 L537 G538 Q543 L544 R555 Y569 L676H287-Y541 HydrophobicContact CB-CE1 4.07Å; M289-Y541 HydrophobicContact CE-CD1 3.74Å; M289-Y541 HydrophobicContact CE-CD2 3.5Å; M289-Y541 VanDerWaalsContact CE-CD2 3.5Å; M289-Y541 HydrophobicContact CE-CE1 4.16Å; M289-Y541 HydrophobicContact CE-CE2 3.94Å; M289-Y541 HydrophobicContact CE-CG 3.37Å; M289-Y541 HydrophobicContact SD-CD1 4.19Å; M289-Y541 HydrophobicContact SD-CD2 4.39Å; M289-Y541 HydrophobicContact SD-CE1 4.05Å; M289-Y541 HydrophobicContact SD-CE2 4.26Å; M289-Y541 HydrophobicContact SD-CG 4.33Å; L537-Y541 HydrophobicContact CD1-CD2 3.81Å; L537-Y541 HydrophobicContact CD1-CE2 3.7Å; L537-Y541 HydrophobicContact CG-CD2 4.21Å; L537-Y541 HydrophobicContact CG-CE2 4.29Å; L537-Y541 WeakPolarHBondContact O-CD2 3.41Å; L537-Y541 PolarHBondContact O-N 3.34Å; G538-Y541 PolarHBondContact O-N 2.9Å; Y541-Q543 PolarHBondContact O-N 3.38Å; Y541-Q543 VanDerWaalsContact O-N 3.12Å; Y541-L544 HydrophobicContact CD1-CD2 3.85Å; Y541-L544 HydrophobicContact CE1-CD2 4.2Å; Y541-L544 WeakPolarHBondContact O-CB 3.3Å; Y541-L544 PolarHBondContact O-N 3.35Å; Y541-R555 WeakPolarHBondContact O-CB 3.43Å; Y541-Y569 HydrophobicContact CE2-CE1 4.01Å; Y541-L676 HydrophobicContact CE2-CD2 3.98Å
542A89.3Confident90Very high8 Ų836.5 Ų36.57%0.06619%0.188CC..THydrogen-bonded Turntrans-64.6-7.317000000114.7G538 M540 R546 M558G538-A542 WeakPolarHBondContact O-CB 3.12Å; G538-A542 PolarHBondContact O-N 3.28Å; M540-A542 VanDerWaalsContact C-N 3.26Å; M540-A542 PolarHBondContact O-N 3.45Å; A542-R546 PolarHBondContact O-NE 3.27Å; A542-M558 HydrophobicContact CB-CE 4.1Å; A542-M558 HydrophobicContact CB-SD 3.69Å
543Q89.2Confident90.1Very high15 Ų1538.3 Ų38.37%0.0720%0.2CC..THydrogen-bonded Turntrans-89.9-23.8172.6-47.7-51.2-42.400112.4R539 M540 Y541 G545 R546 F678 L679 V685 D686 M689R539-Q543 PolarHBondContact O-NE2 3.35Å; R539-Q543 VanDerWaalsContact O-NE2 3.1Å; M540-Q543 WeakPolarHBondContact O-CB 3.3Å; M540-Q543 VanDerWaalsContact O-CG 3.29Å; M540-Q543 WeakPolarHBondContact O-CG 3.5Å; M540-Q543 PolarHBondContact O-N 3.26Å; M540-Q543 VanDerWaalsContact O-N 3.12Å; Y541-Q543 PolarHBondContact O-N 3.38Å; Y541-Q543 VanDerWaalsContact O-N 3.12Å; Q543-G545 PolarHBondContact O-N 3.32Å; Q543-R546 WeakPolarHBondContact O-CG 3.22Å; Q543-R546 PolarHBondContact O-N 2.96Å; Q543-R546 VanDerWaalsContact OE1-CZ 3.31Å; Q543-F678 HydrophobicContact CB-CE2 4.45Å; Q543-L679 HydrophobicContact CB-CD2 4.07Å; Q543-L679 HydrophobicContact CG-CD2 4Å; Q543-V685 HydrophobicContact CB-CG1 4.4Å; Q543-V685 HydrophobicContact CG-CG1 4.05Å; Q543-D686 VanDerWaalsContact OE1-CB 3.24Å; Q543-M689 HydrophobicContact CG-CG 4.02Å
544L90.6Very high90.2Very high8 Ų836.6 Ų36.64%0.04219%0.188CC..THydrogen-bonded Turntrans-63.9131.5-175.6-17865.8000110.5Q206 F210 H287 Y541 R546 G554 R555 F678Q206-L544 HydrophobicContact CG-CD1 4.02Å; Q206-L544 HydrophobicContact CG-CD2 4.2Å; Q206-L544 HydrophobicContact CG-CG 3.68Å; F210-L544 HydrophobicContact CE1-CD2 4.21Å; F210-L544 VanDerWaalsContact CE2-O 3.26Å; F210-L544 WeakPolarHBondContact CE2-O 3.31Å; F210-L544 HydrophobicContact CZ-CB 4.16Å; F210-L544 HydrophobicContact CZ-CD2 3.93Å; F210-L544 HydrophobicContact CZ-CG 3.91Å; F210-L544 WeakPolarHBondContact CZ-O 3.37Å; H287-L544 HydrophobicContact CB-CD2 3.8Å; Y541-L544 HydrophobicContact CD1-CD2 3.85Å; Y541-L544 HydrophobicContact CE1-CD2 4.2Å; Y541-L544 WeakPolarHBondContact O-CB 3.3Å; Y541-L544 PolarHBondContact O-N 3.35Å; L544-R546 VanDerWaalsContact C-N 3.31Å; L544-R546 PolarHBondContact O-N 3.48Å; L544-G554 CarbonylContact O-C 3.6Å; L544-G554 WeakPolarHBondContact O-CA 3.37Å; L544-R555 PolarHBondContact O-N 3.33Å; L544-F678 HydrophobicContact CB-CD2 4.32Å; L544-F678 HydrophobicContact CB-CE2 3.96Å; L544-F678 HydrophobicContact CB-CZ 4.16Å; L544-F678 HydrophobicContact CD1-CD1 3.77Å; L544-F678 HydrophobicContact CD1-CD2 4.24Å; L544-F678 HydrophobicContact CD1-CE1 3.93Å; L544-F678 HydrophobicContact CD1-CE2 4.38Å; L544-F678 HydrophobicContact CD1-CG 3.94Å; L544-F678 HydrophobicContact CD1-CZ 4.23Å
545G90.6Very high90.4Very high10 Ų1036.6 Ų36.610%0.10319%0.187CC..THydrogen-bonded Turntrans72.114.8-179.600000115.1N207 Q543N207-G545 PolarHBondContact ND2-O 3.33Å; Q543-G545 PolarHBondContact O-N 3.32Å
546R91.8Very high90.3Very high70 Ų7038.8 Ų38.826%0.26419%0.192SC..EExtended strand (participates in β ladder)trans-64.7133.9166.9-76.7-176.9174.3-153.82.2110A542 Q543 L544 L552 T553 N684 D686A542-R546 PolarHBondContact O-NE 3.27Å; Q543-R546 WeakPolarHBondContact O-CG 3.22Å; Q543-R546 PolarHBondContact O-N 2.96Å; Q543-R546 VanDerWaalsContact OE1-CZ 3.31Å; L544-R546 VanDerWaalsContact C-N 3.31Å; L544-R546 PolarHBondContact O-N 3.48Å; R546-L552 WeakPolarHBondContact CA-O 3.31Å; R546-T553 WeakPolarHBondContact CG-O 3.28Å; R546-N684 HydrophobicContact CB-CB 4.01Å; R546-N684 WeakPolarHBondContact CD-O 3.42Å; R546-D686 IonicContact CZ-OD1 2.73Å; R546-D686 IonicContact NH1-OD1 3.09Å; R546-D686 PolarHBondContact NH1-OD1 3.31Å; R546-D686 IonicContact NH2-OD1 3.26Å; R546-D686 PolarHBondContact NH2-OD1 3.14Å; R546-D686 VanDerWaalsContact NH2-OD1 3.11Å
547N91.3Very high89.5Confident9 Ų939.3 Ų39.35%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-148.5111.9173.7-173.7-74.5000110.9D200 A203 K549 M550 N551 L552D200-N547 PolarHBondContact OD1-ND2 3.36Å; A203-N547 HydrophobicContact CB-CB 3.99Å; N547-K549 PolarHBondContact O-N 2.94Å; N547-K549 WeakPolarHBondContact OD1-CB 2.83Å; N547-K549 PolarHBondContact OD1-N 2.94Å; N547-M550 HydrophobicContact CB-CE 3.94Å; N547-M550 VanDerWaalsContact CG-CE 3.48Å; N547-M550 PolarHBondContact OD1-N 2.98Å; N547-M550 VanDerWaalsContact OD1-N 3.09Å; N547-N551 PolarHBondContact O-N 2.99Å; N547-L552 HydrophobicContact CB-CB 4.35Å; N547-L552 HydrophobicContact CB-CD1 4.48Å; N547-L552 PolarHBondContact N-O 2.93Å; N547-L552 PolarHBondContact O-N 3.42Å
548A89Confident88.8Confident74 Ų7443.1 Ų43.161%0.61222%0.215SC*.G310 helixtrans-64.9-33.1-178.400000114M550 N551 N684A548-M550 VanDerWaalsContact C-N 3.32Å; A548-M550 PolarHBondContact O-N 3.49Å; A548-N551 PolarHBondContact O-N 3Å; A548-N684 PolarHBondContact N-OD1 3.33Å; A548-N684 VanDerWaalsContact N-OD1 3.12Å
549K90.8Very high88.1Confident158 Ų15845.6 Ų45.669%0.68723%0.228SC*.G310 helixtrans-68.5-31.7-176.3-54.3179.8-166.2139.10112.7D200 N547D200-K549 WeakPolarHBondContact OD1-CD 3.28Å; D200-K549 IonicContact OD1-NZ 3.76Å; D200-K549 PolarHBondContact OD1-NZ 2.89Å; D200-K549 IonicContact OD2-NZ 2.87Å; D200-K549 PolarHBondContact OD2-NZ 3.26Å; N547-K549 PolarHBondContact O-N 2.94Å; N547-K549 WeakPolarHBondContact OD1-CB 2.83Å; N547-K549 PolarHBondContact OD1-N 2.94Å
550M92.2Very high87.9Confident35 Ų3541.8 Ų41.817%0.17222%0.215CC..G310 helixtrans-104.56.3-180-63-179.1-73.400113.4M133 A136 D200 F204 N547 A548 L552M133-M550 HydrophobicContact CE-SD 3.83Å; A136-M550 HydrophobicContact CB-CB 4.49Å; D200-M550 HydrophobicContact CB-CE 4.23Å; D200-M550 WeakPolarHBondContact O-CE 3.16Å; F204-M550 HydrophobicContact CB-CE 4.05Å; F204-M550 HydrophobicContact CB-SD 4.22Å; F204-M550 HydrophobicContact CD2-SD 4.3Å; N547-M550 HydrophobicContact CB-CE 3.94Å; N547-M550 VanDerWaalsContact CG-CE 3.48Å; N547-M550 PolarHBondContact OD1-N 2.98Å; N547-M550 VanDerWaalsContact OD1-N 3.09Å; A548-M550 VanDerWaalsContact C-N 3.32Å; A548-M550 PolarHBondContact O-N 3.49Å; M550-L552 HydrophobicContact CB-CD1 3.94Å; M550-L552 HydrophobicContact CB-CG 3.88Å; M550-L552 HydrophobicContact CE-CD1 3.77Å; M550-L552 PolarHBondContact O-N 3.24Å; M550-L552 HydrophobicContact SD-CD1 4.28Å
551N93.9Very high87.6Confident132 Ų13243 Ų4371%0.70623%0.227SC*.THydrogen-bonded Turntrans57.228.8-175.3-56.4-68.4000115N547 A548N547-N551 PolarHBondContact O-N 2.99Å; A548-N551 PolarHBondContact O-N 3Å
552L93.5Very high87.5Confident5 Ų543.4 Ų43.43%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-87.4122.9-179-60.9172.7000110.6A136 E140 F204 N207 R546 N547 M550 G554A136-L552 HydrophobicContact CB-CD2 4.43Å; E140-L552 HydrophobicContact CB-CD2 4.35Å; F204-L552 HydrophobicContact CD2-CD1 4.11Å; N207-L552 HydrophobicContact CB-CD1 4.29Å; R546-L552 WeakPolarHBondContact CA-O 3.31Å; N547-L552 HydrophobicContact CB-CB 4.35Å; N547-L552 HydrophobicContact CB-CD1 4.48Å; N547-L552 PolarHBondContact N-O 2.93Å; N547-L552 PolarHBondContact O-N 3.42Å; M550-L552 HydrophobicContact CB-CD1 3.94Å; M550-L552 HydrophobicContact CB-CG 3.88Å; M550-L552 HydrophobicContact CE-CD1 3.77Å; M550-L552 PolarHBondContact O-N 3.24Å; M550-L552 HydrophobicContact SD-CD1 4.28Å; L552-G554 VanDerWaalsContact C-N 3.31Å; L552-G554 PolarHBondContact O-N 2.88Å
553T91.8Very high87.6Confident53 Ų5343.2 Ų43.233%0.32523%0.228SC..EExtended strand (participates in β ladder)trans-87.28.1-176.6820000114.6E140 R546 R556E140-T553 PolarHBondContact OE1-OG1 3.13Å; E140-T553 VanDerWaalsContact OE1-OG1 3.12Å; E140-T553 PolarHBondContact OE2-N 3.32Å; R546-T553 WeakPolarHBondContact CG-O 3.28Å; T553-R556 PolarHBondContact OG1-NE 3.16Å; T553-R556 PolarHBondContact OG1-NH2 3.27Å
554G90.2Very high87.8Confident0 Ų042.5 Ų42.50%023%0.225CC..  trans71.3-156.1-174.500000114.2K143 L544 L552 R556K143-G554 PolarHBondContact NZ-O 2.85Å; L544-G554 CarbonylContact O-C 3.6Å; L544-G554 WeakPolarHBondContact O-CA 3.37Å; L552-G554 VanDerWaalsContact C-N 3.31Å; L552-G554 PolarHBondContact O-N 2.88Å; G554-R556 PolarHBondContact O-N 2.92Å
555R90.1Very high88Confident7 Ų742.2 Ų42.23%0.02622%0.223CC..  trans-66.6128.1-178.5-162.8-172.2-171.3-132.55.2111.3F210 E213 E292 Y541 L544 S557 D559F210-R555 HydrophobicContact CD1-CB 4.2Å; F210-R555 HydrophobicContact CD1-CG 3.96Å; F210-R555 HydrophobicContact CD2-CB 4.33Å; F210-R555 HydrophobicContact CE1-CB 3.8Å; F210-R555 HydrophobicContact CE1-CG 3.87Å; F210-R555 HydrophobicContact CE2-CB 3.96Å; F210-R555 VanDerWaalsContact CE2-N 3.29Å; F210-R555 HydrophobicContact CG-CB 4.46Å; F210-R555 HydrophobicContact CG-CG 4.44Å; F210-R555 HydrophobicContact CZ-CB 3.67Å; F210-R555 HydrophobicContact CZ-CG 4.28Å; E213-R555 IonicContact OE1-CZ 2.68Å; E213-R555 IonicContact OE1-NE 3.1Å; E213-R555 PolarHBondContact OE1-NE 2.94Å; E213-R555 IonicContact OE1-NH2 2.7Å; E213-R555 PolarHBondContact OE1-NH2 3.2Å; E213-R555 IonicContact OE2-NE 2.72Å; E213-R555 IonicContact OE2-NH2 3.39Å; E292-R555 IonicContact OE1-NH2 2.88Å; E292-R555 PolarHBondContact OE1-NH2 2.88Å; Y541-R555 WeakPolarHBondContact O-CB 3.43Å; L544-R555 PolarHBondContact O-N 3.33Å; R555-S557 WeakPolarHBondContact CD-O 3.23Å; R555-S557 PolarHBondContact NH1-O 3.28Å; R555-D559 PolarHBondContact NH1-O 3.44Å
556R81.5Confident88.2Confident128 Ų12841.8 Ų41.848%0.48322%0.219SC..  trans-84-34.1174.8-73.4-71.9-178169-1.9113.5E140 K143 T553 G554 M558E140-R556 IonicContact OE1-CZ 2.9Å; E140-R556 IonicContact OE1-NE 3.38Å; E140-R556 PolarHBondContact OE1-NE 2.62Å; E140-R556 IonicContact OE1-NH2 3.51Å; E140-R556 PolarHBondContact OE1-NH2 2.58Å; K143-R556 HydrophobicContact CB-CG 4.09Å; T553-R556 PolarHBondContact OG1-NE 3.16Å; T553-R556 PolarHBondContact OG1-NH2 3.27Å; G554-R556 PolarHBondContact O-N 2.92Å; R556-M558 PolarHBondContact O-N 3.49Å
557S73.3Confident88.4Confident18 Ų1838.7 Ų38.713%0.12621%0.207CC..  trans-73.9124.8-179.1177.50000111.6R555 D559R555-S557 WeakPolarHBondContact CD-O 3.23Å; R555-S557 PolarHBondContact NH1-O 3.28Å; S557-D559 PolarHBondContact OG-N 2.79Å
558M76.1Confident88.5Confident80 Ų8038.3 Ų38.339%0.39421%0.205SC..  trans-92.2-7174.4-50.9-59.7-71.100112G538 R539 A542 R556G538-M558 WeakPolarHBondContact CA-O 3.49Å; R539-M558 HydrophobicContact CB-CE 4.09Å; R539-M558 HydrophobicContact CG-CE 3.51Å; A542-M558 HydrophobicContact CB-CE 4.1Å; A542-M558 HydrophobicContact CB-SD 3.69Å; R556-M558 PolarHBondContact O-N 3.49Å
559D74.4Confident88.8Confident52 Ų5234.8 Ų34.828%0.27818%0.176SC..  trans-70.4138-178.1-72.6-12.6000110.5R217 R555 S557R217-D559 IonicContact NH1-OD2 2.66Å; R555-D559 PolarHBondContact NH1-O 3.44Å; S557-D559 PolarHBondContact OG-N 2.79Å
560V83.3Confident88.8Confident9 Ų929 Ų296%0.05515%0.152CC..  trans-136.9119175.8-172.50000108.3M289 L537 G538 T565M289-V560 HydrophobicContact CE-CG1 4.37Å; M289-V560 HydrophobicContact CE-CG2 3.98Å; L537-V560 HydrophobicContact CB-CG2 4.35Å; L537-V560 HydrophobicContact CD2-CG1 3.89Å; L537-V560 HydrophobicContact CG-CG1 4.23Å; G538-V560 VanDerWaalsContact CA-CG2 3.42Å; G538-V560 VanDerWaalsContact N-CG2 3.31Å; V560-T565 HydrophobicContact CG1-CG2 3.97Å
561G84.7Confident88.6Confident26 Ų2627.4 Ų27.427%0.26814%0.144SC..  trans-85.1175.8177.100000113.2D291 L563 S564 T565D291-G561 VanDerWaalsContact CG-C 3.48Å; D291-G561 WeakPolarHBondContact OD1-CA 3.32Å; G561-L563 VanDerWaalsContact C-N 3.3Å; G561-L563 PolarHBondContact O-N 3.33Å; G561-S564 PolarHBondContact O-N 2.96Å; G561-T565 PolarHBondContact O-N 3.38Å; G561-T565 VanDerWaalsContact O-N 3.15Å
562L89.3Confident88.2Confident15 Ų1524.2 Ų24.28%0.07913%0.125CC..Hα-helixtrans-64.5-29.8-173.6-179.359.2000113.7D291 S564 T565 S566 P580 E604 Y607 V608D291-L562 PolarHBondContact OD1-N 2.78Å; D291-L562 VanDerWaalsContact OD1-N 3.16Å; L562-S564 VanDerWaalsContact C-N 3.27Å; L562-S564 PolarHBondContact O-N 3.42Å; L562-T565 PolarHBondContact O-N 3.04Å; L562-T565 PolarHBondContact O-OG1 3.47Å; L562-S566 VanDerWaalsContact O-CB 3.23Å; L562-S566 WeakPolarHBondContact O-CB 3.5Å; L562-S566 PolarHBondContact O-N 2.87Å; L562-S566 PolarHBondContact O-OG 3.17Å; L562-P580 HydrophobicContact CD1-CB 3.93Å; L562-P580 HydrophobicContact CD1-CG 3.69Å; L562-E604 HydrophobicContact CD2-CB 3.58Å; L562-E604 HydrophobicContact CD2-CG 4.34Å; L562-E604 WeakPolarHBondContact CD2-OE2 3.48Å; L562-Y607 HydrophobicContact CD2-CD1 4.41Å; L562-V608 HydrophobicContact CD2-CG2 3.53Å; L562-V608 HydrophobicContact CG-CG2 3.62Å
563L92.3Very high87.6Confident4 Ų431.9 Ų31.92%0.02117%0.166CC..Hα-helixtrans-68.2-33.1-179.8-52.1175000110.8D291 E294 G561 K567 Y607 T611 W612D291-L563 WeakPolarHBondContact OD1-CB 3.38Å; D291-L563 WeakPolarHBondContact OD1-CG 3.43Å; D291-L563 PolarHBondContact OD1-N 2.93Å; E294-L563 HydrophobicContact CB-CD1 3.94Å; G561-L563 VanDerWaalsContact C-N 3.3Å; G561-L563 PolarHBondContact O-N 3.33Å; L563-K567 WeakPolarHBondContact O-CE 3.47Å; L563-Y607 HydrophobicContact CD2-CE1 3.95Å; L563-Y607 HydrophobicContact CG-CE1 4.06Å; L563-T611 HydrophobicContact CD1-CG2 3.47Å; L563-T611 VanDerWaalsContact CD1-CG2 3.47Å; L563-T611 HydrophobicContact CD2-CG2 3.76Å; L563-T611 HydrophobicContact CG-CG2 4.25Å; L563-W612 HydrophobicContact CB-CZ3 4.45Å; L563-W612 HydrophobicContact CD2-CE3 4.33Å; L563-W612 WeakPolarHBondContact O-CZ3 3.34Å
564S93.3Very high87.4Confident0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-79-39.9175.9-57.10000111.7T290 D291 G561 L562 S566 Y569T290-S564 PolarHBondContact OG1-OG 2.99Å; D291-S564 VanDerWaalsContact OD2-CB 3.23Å; D291-S564 WeakPolarHBondContact OD2-CB 3.35Å; D291-S564 PolarHBondContact OD2-N 3.27Å; D291-S564 PolarHBondContact OD2-OG 3.08Å; G561-S564 PolarHBondContact O-N 2.96Å; L562-S564 VanDerWaalsContact C-N 3.27Å; L562-S564 PolarHBondContact O-N 3.42Å; S564-S566 PolarHBondContact O-N 3.16Å; S564-Y569 VanDerWaalsContact O-CE2 3.3Å; S564-Y569 WeakPolarHBondContact O-CE2 3.31Å; S564-Y569 PolarHBondContact O-OH 3.3Å
565T94Very high87.5Confident2 Ų232.9 Ų32.91%0.01217%0.166CC..Hα-helixtrans-68-23.6173.864.80000113.4A534 V560 G561 L562 K567 F578A534-T565 HydrophobicContact CB-CG2 3.68Å; V560-T565 HydrophobicContact CG1-CG2 3.97Å; G561-T565 PolarHBondContact O-N 3.38Å; G561-T565 VanDerWaalsContact O-N 3.15Å; L562-T565 PolarHBondContact O-N 3.04Å; L562-T565 PolarHBondContact O-OG1 3.47Å; T565-K567 PolarHBondContact O-N 3.32Å; T565-F578 HydrophobicContact CG2-CB 4.12Å
566S95.5Very high87.7Confident1 Ų132.6 Ų32.61%0.00717%0.165CC..THydrogen-bonded Turntrans-76.622.2179.6-56.90000114.7L562 S564 P618 L619L562-S566 VanDerWaalsContact O-CB 3.23Å; L562-S566 WeakPolarHBondContact O-CB 3.5Å; L562-S566 PolarHBondContact O-N 2.87Å; L562-S566 PolarHBondContact O-OG 3.17Å; S564-S566 PolarHBondContact O-N 3.16Å; S566-P618 WeakPolarHBondContact O-CA 3.49Å; S566-L619 CarbonylContact C-O 3.53Å; S566-L619 VanDerWaalsContact CA-O 3.22Å; S566-L619 WeakPolarHBondContact CA-O 3.5Å; S566-L619 PolarHBondContact O-N 2.87Å
567K95Very high88.3Confident5 Ų526.5 Ų26.52%0.02214%0.142CC..SBendtrans-122.5152-178.8-62.4173.9-169.7164.20110.6T290 L563 T565 Y569 W612 C672T290-K567 WeakPolarHBondContact OG1-CE 3.35Å; T290-K567 PolarHBondContact OG1-NZ 3.17Å; L563-K567 WeakPolarHBondContact O-CE 3.47Å; T565-K567 PolarHBondContact O-N 3.32Å; K567-Y569 HydrophobicContact CB-CD2 4.32Å; K567-Y569 HydrophobicContact CB-CE2 3.77Å; K567-W612 HydrophobicContact CG-CH2 3.76Å; K567-C672 HydrophobicContact CG-CB 4.33Å
568M95.2Very high89.3Confident0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-82.4144.6161.3-66.8-171.9179.700109.8I575 V577 L619 I664 F667 V668 C672 I673 T674M568-I575 HydrophobicContact CB-CG2 4.17Å; M568-I575 HydrophobicContact CG-CG2 4.38Å; M568-I575 HydrophobicContact SD-CG2 4.21Å; M568-V577 HydrophobicContact CG-CG2 4.21Å; M568-L619 HydrophobicContact CE-CD2 3.44Å; M568-L619 VanDerWaalsContact CE-CD2 3.44Å; M568-L619 HydrophobicContact CG-CD2 4.43Å; M568-I664 HydrophobicContact CE-CG2 3.95Å; M568-F667 HydrophobicContact CE-CB 4.33Å; M568-V668 HydrophobicContact CE-CB 4.41Å; M568-V668 HydrophobicContact CE-CG2 3.88Å; M568-V668 HydrophobicContact SD-CB 4.33Å; M568-V668 HydrophobicContact SD-CG1 4.39Å; M568-V668 HydrophobicContact SD-CG2 4.09Å; M568-C672 PolarHBondContact N-O 2.89Å; M568-I673 HydrophobicContact CB-CG1 3.87Å; M568-I673 CarbonylContact O-C 3.56Å; M568-I673 WeakPolarHBondContact O-CA 3.26Å; M568-I673 HydrophobicContact SD-CG1 4.31Å; M568-T674 PolarHBondContact O-N 3.11Å
569Y94.2Very high90Very high0 Ų022.7 Ų22.70%012%0.122CC..EExtended strand (participates in β ladder)trans-124.3137.5177.9-72.6-87.1000111.1L537 Y541 S564 K567 I575 F576 F578 T674 L676L537-Y569 HydrophobicContact CD1-CD1 4.45Å; L537-Y569 HydrophobicContact CD1-CD2 4.27Å; L537-Y569 HydrophobicContact CD1-CE1 4.21Å; L537-Y569 HydrophobicContact CD1-CE2 4.02Å; L537-Y569 HydrophobicContact CD1-CG 4.45Å; L537-Y569 HydrophobicContact CD2-CD2 4.26Å; L537-Y569 HydrophobicContact CD2-CE2 3.48Å; L537-Y569 VanDerWaalsContact CD2-CE2 3.48Å; L537-Y569 HydrophobicContact CG-CE2 4.43Å; Y541-Y569 HydrophobicContact CE2-CE1 4.01Å; S564-Y569 VanDerWaalsContact O-CE2 3.3Å; S564-Y569 WeakPolarHBondContact O-CE2 3.31Å; S564-Y569 PolarHBondContact O-OH 3.3Å; K567-Y569 HydrophobicContact CB-CD2 4.32Å; K567-Y569 HydrophobicContact CB-CE2 3.77Å; Y569-I575 CarbonylContact O-C 3.58Å; Y569-I575 WeakPolarHBondContact O-CA 3.16Å; Y569-F576 PolarHBondContact N-O 2.97Å; Y569-F576 PolarHBondContact O-N 3.23Å; Y569-F578 AromaticContact CD2-CD2 3.74Å; Y569-F578 HydrophobicContact CD2-CD2 3.74Å; Y569-F578 AromaticContact CD2-CE2 3.66Å; Y569-F578 HydrophobicContact CD2-CE2 3.66Å; Y569-F578 HydrophobicContact CE2-CD2 4.13Å; Y569-F578 HydrophobicContact CE2-CE2 4.33Å; Y569-F578 HydrophobicContact CG-CE2 4.18Å; Y569-T674 CarbonylContact C-O 3.59Å; Y569-T674 VanDerWaalsContact CA-O 3.23Å; Y569-T674 WeakPolarHBondContact CA-O 3.4Å; Y569-T674 HydrophobicContact CD1-CG2 4.06Å; Y569-T674 HydrophobicContact CE1-CG2 3.87Å; Y569-L676 HydrophobicContact CD1-CD1 3.63Å; Y569-L676 HydrophobicContact CD1-CD2 3.77Å; Y569-L676 HydrophobicContact CD1-CG 3.7Å; Y569-L676 HydrophobicContact CE1-CD1 4.32Å; Y569-L676 HydrophobicContact CE1-CD2 3.99Å; Y569-L676 HydrophobicContact CE1-CG 4.4Å; Y569-L676 HydrophobicContact CG-CD1 4.17Å
570I91.7Very high90.7Very high38 Ų3820.4 Ų20.420%0.19511%0.11CC..EExtended strand (participates in β ladder)trans-104.8125.7172.1-65.6174.2000109.2E572 R574 I575 I673 T674 K675 L676I570-E572 VanDerWaalsContact CG2-O 3.31Å; I570-E572 WeakPolarHBondContact CG2-O 3.47Å; I570-R574 WeakPolarHBondContact CA-O 3.43Å; I570-I575 HydrophobicContact CG1-CG1 4.1Å; I570-I673 HydrophobicContact CD1-CG2 3.6Å; I570-I673 HydrophobicContact CG1-CG2 3.85Å; I570-T674 PolarHBondContact N-O 3.23Å; I570-K675 HydrophobicContact CB-CG 4.24Å; I570-L676 PolarHBondContact O-N 2.9Å
571V88.2Confident90.5Very high1 Ų122.1 Ų22.11%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-121.7120.7166.2-167.70000107N573 R574 F576 L676 L679 L697V571-N573 PolarHBondContact O-N 3.13Å; V571-R574 PolarHBondContact N-O 3.2Å; V571-R574 VanDerWaalsContact N-O 3.1Å; V571-R574 PolarHBondContact O-N 3.45Å; V571-F576 HydrophobicContact CB-CD2 4.06Å; V571-F576 HydrophobicContact CB-CE2 3.65Å; V571-F576 HydrophobicContact CB-CZ 4.4Å; V571-F576 HydrophobicContact CG2-CD2 3.75Å; V571-F576 HydrophobicContact CG2-CE2 3.76Å; V571-F576 HydrophobicContact CG2-CG 4.44Å; V571-F576 HydrophobicContact CG2-CZ 4.43Å; V571-L676 HydrophobicContact CG2-CB 4.31Å; V571-L676 HydrophobicContact CG2-CD1 4.31Å; V571-L679 HydrophobicContact CG1-CB 4.09Å; V571-L679 HydrophobicContact CG1-CD1 4.25Å; V571-L679 HydrophobicContact CG2-CD1 4.1Å; V571-L697 HydrophobicContact CG1-CD1 4.17Å
572E83.5Confident90.2Very high64 Ų6421.8 Ų21.830%0.29911%0.109SC..THydrogen-bonded Turntrans49.3-111.3-169.7-61175.7176.600111.2I570 L697 H698I570-E572 VanDerWaalsContact CG2-O 3.31Å; I570-E572 WeakPolarHBondContact CG2-O 3.47Å; E572-L697 HydrophobicContact CG-CD1 4.49Å; E572-H698 IonicContact OE2-CE1 3.46Å
573N82.3Confident89.6Confident166 Ų16622 Ų2289%0.88811%0.11SC*.THydrogen-bonded Turntrans-109.99.1-178.8-67.9-21.1000113.9V571V571-N573 PolarHBondContact O-N 3.13Å
574R87.3Confident88.5Confident44 Ų4423.5 Ų23.517%0.16612%0.118CC..EExtended strand (participates in β ladder)trans-111.3146.2177.5-64.3-162.7-168.7-143.513.4112.1V530 I570 V571 F576 I696 L697 G699V530-R574 HydrophobicContact CG2-CB 4.44Å; I570-R574 WeakPolarHBondContact CA-O 3.43Å; V571-R574 PolarHBondContact N-O 3.2Å; V571-R574 VanDerWaalsContact N-O 3.1Å; V571-R574 PolarHBondContact O-N 3.45Å; R574-F576 HydrophobicContact CB-CD2 4.42Å; R574-F576 HydrophobicContact CB-CE2 3.86Å; R574-I696 PolarHBondContact NE-O 3.13Å; R574-I696 PolarHBondContact NH2-O 2.9Å; R574-I696 VanDerWaalsContact NH2-O 3.16Å; R574-L697 HydrophobicContact CB-CD2 4.05Å; R574-L697 HydrophobicContact CG-CD2 4.05Å; R574-L697 PolarHBondContact NE-O 2.87Å; R574-L697 VanDerWaalsContact NE-O 3.15Å; R574-L697 PolarHBondContact NH2-O 3.02Å; R574-G699 PolarHBondContact NH2-O 3.34Å
575I91.6Very high87.1Confident31 Ų3125.8 Ų25.816%0.15913%0.126CC..EExtended strand (participates in β ladder)trans-97.6126.4174.6-62.1166.6000108.7F529 V530 M568 Y569 I570 V577 V668F529-I575 CarbonylContact C-O 3.52Å; F529-I575 WeakPolarHBondContact CA-O 3.19Å; F529-I575 HydrophobicContact CD1-CB 3.85Å; F529-I575 HydrophobicContact CD1-CD1 4.31Å; F529-I575 HydrophobicContact CD1-CG2 3.77Å; F529-I575 HydrophobicContact CE1-CB 4.27Å; F529-I575 HydrophobicContact CE1-CD1 3.83Å; F529-I575 HydrophobicContact CE1-CG2 4.24Å; V530-I575 PolarHBondContact N-O 3.15Å; M568-I575 HydrophobicContact CB-CG2 4.17Å; M568-I575 HydrophobicContact CG-CG2 4.38Å; M568-I575 HydrophobicContact SD-CG2 4.21Å; Y569-I575 CarbonylContact O-C 3.58Å; Y569-I575 WeakPolarHBondContact O-CA 3.16Å; I570-I575 HydrophobicContact CG1-CG1 4.1Å; I575-V577 HydrophobicContact CG2-CG2 4.34Å; I575-V668 HydrophobicContact CD1-CG1 4.15Å
576F94.1Very high85.3Confident0 Ų029.6 Ų29.60%015%0.153CC..EExtended strand (participates in β ladder)trans-107.8141.1177.4-69.4-107.8000109.5V530 L532 M540 Y569 V571 R574 F578 I696 L697V530-F576 HydrophobicContact CB-CD1 3.8Å; V530-F576 HydrophobicContact CB-CE1 3.99Å; V530-F576 HydrophobicContact CB-CG 4.15Å; V530-F576 HydrophobicContact CB-CZ 4.46Å; V530-F576 HydrophobicContact CG1-CD1 3.84Å; V530-F576 HydrophobicContact CG1-CE1 3.77Å; V530-F576 HydrophobicContact CG2-CE1 4.4Å; V530-F576 HydrophobicContact CG2-CZ 4.41Å; V530-F576 WeakPolarHBondContact O-CA 3.5Å; L532-F576 HydrophobicContact CD1-CD1 3.77Å; L532-F576 HydrophobicContact CD1-CE1 3.96Å; M540-F576 HydrophobicContact CE-CD1 4.03Å; M540-F576 HydrophobicContact CE-CE1 4.02Å; Y569-F576 PolarHBondContact N-O 2.97Å; Y569-F576 PolarHBondContact O-N 3.23Å; V571-F576 HydrophobicContact CB-CD2 4.06Å; V571-F576 HydrophobicContact CB-CE2 3.65Å; V571-F576 HydrophobicContact CB-CZ 4.4Å; V571-F576 HydrophobicContact CG2-CD2 3.75Å; V571-F576 HydrophobicContact CG2-CE2 3.76Å; V571-F576 HydrophobicContact CG2-CG 4.44Å; V571-F576 HydrophobicContact CG2-CZ 4.43Å; R574-F576 HydrophobicContact CB-CD2 4.42Å; R574-F576 HydrophobicContact CB-CE2 3.86Å; F576-F578 HydrophobicContact CB-CE2 3.88Å; F576-F578 HydrophobicContact CB-CZ 4.04Å; F576-F578 HydrophobicContact CD1-CZ 4.49Å; F576-I696 HydrophobicContact CE1-CG2 3.88Å; F576-I696 HydrophobicContact CZ-CG2 3.87Å; F576-L697 HydrophobicContact CE2-CD2 4.02Å; F576-L697 HydrophobicContact CZ-CD2 4.07Å
577V94.9Very high83.8Confident0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-137141.8175.9-160.30000108.8V530 V531 L532 M568 I575 L619 V621 I664V530-V577 PolarHBondContact O-N 2.9Å; V531-V577 WeakPolarHBondContact CA-O 3.43Å; L532-V577 PolarHBondContact N-O 2.66Å; M568-V577 HydrophobicContact CG-CG2 4.21Å; I575-V577 HydrophobicContact CG2-CG2 4.34Å; V577-L619 HydrophobicContact CG1-CD2 4.29Å; V577-V621 HydrophobicContact CB-CG2 4.39Å; V577-V621 HydrophobicContact CG1-CG2 3.46Å; V577-V621 VanDerWaalsContact CG1-CG2 3.46Å; V577-I664 HydrophobicContact CG2-CG2 4.05Å
578F93.8Very high82.4Confident1 Ų132.5 Ų32.50%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-115.8133.3-168.5-64.5-87.2000112.9L532 I536 L537 M540 T565 Y569 F576L532-F578 HydrophobicContact CB-CD1 3.88Å; L532-F578 HydrophobicContact CB-CE1 3.73Å; L532-F578 HydrophobicContact CD1-CE1 4.22Å; L532-F578 CarbonylContact O-C 3.48Å; L532-F578 VanDerWaalsContact O-CA 3.23Å; L532-F578 WeakPolarHBondContact O-CA 3.27Å; I536-F578 HydrophobicContact CB-CE1 4.3Å; L537-F578 HydrophobicContact CB-CD1 3.78Å; L537-F578 HydrophobicContact CB-CD2 4.22Å; L537-F578 HydrophobicContact CB-CE1 3.76Å; L537-F578 HydrophobicContact CB-CE2 4.22Å; L537-F578 HydrophobicContact CB-CG 4.01Å; L537-F578 HydrophobicContact CB-CZ 3.99Å; L537-F578 HydrophobicContact CD1-CD2 4.22Å; L537-F578 HydrophobicContact CD1-CE2 3.74Å; L537-F578 HydrophobicContact CD1-CZ 3.94Å; L537-F578 HydrophobicContact CD2-CB 4.42Å; L537-F578 HydrophobicContact CD2-CD2 3.7Å; L537-F578 HydrophobicContact CD2-CE2 4.1Å; L537-F578 HydrophobicContact CD2-CG 3.97Å; L537-F578 HydrophobicContact CG-CD2 4.28Å; L537-F578 HydrophobicContact CG-CE2 4.25Å; L537-F578 HydrophobicContact CG-CZ 4.43Å; M540-F578 HydrophobicContact CE-CZ 4.17Å; M540-F578 HydrophobicContact SD-CE1 4.36Å; M540-F578 HydrophobicContact SD-CZ 3.75Å; T565-F578 HydrophobicContact CG2-CB 4.12Å; Y569-F578 AromaticContact CD2-CD2 3.74Å; Y569-F578 HydrophobicContact CD2-CD2 3.74Å; Y569-F578 AromaticContact CD2-CE2 3.66Å; Y569-F578 HydrophobicContact CD2-CE2 3.66Å; Y569-F578 HydrophobicContact CE2-CD2 4.13Å; Y569-F578 HydrophobicContact CE2-CE2 4.33Å; Y569-F578 HydrophobicContact CG-CE2 4.18Å; F576-F578 HydrophobicContact CB-CE2 3.88Å; F576-F578 HydrophobicContact CB-CZ 4.04Å; F576-F578 HydrophobicContact CD1-CZ 4.49Å
579T91.4Very high81.3Confident18 Ų1832.6 Ų32.611%0.1117%0.165CC..EExtended strand (participates in β ladder)trans-75.3140.1174.357.20000110.7V531 L532 P533 A534 V621 V623V531-T579 HydrophobicContact CG1-CG2 3.93Å; L532-T579 PolarHBondContact O-N 3.48Å; P533-T579 WeakPolarHBondContact CA-OG1 3.48Å; A534-T579 PolarHBondContact N-O 2.85Å; T579-V621 HydrophobicContact CG2-CG1 4.5Å; T579-V623 HydrophobicContact CG2-CB 4.33Å; T579-V623 HydrophobicContact CG2-CG2 3.58Å
580P88.5Confident80.3Confident3 Ų333.2 Ų33.22%0.01917%0.168CC..  trans-54141.8173.6-28.935.7000113.3L562 F582 L583 V620 V621L562-P580 HydrophobicContact CD1-CB 3.93Å; L562-P580 HydrophobicContact CD1-CG 3.69Å; P580-F582 HydrophobicContact CB-CD1 3.69Å; P580-F582 HydrophobicContact CB-CE1 3.48Å; P580-F582 VanDerWaalsContact CB-CE1 3.48Å; P580-F582 HydrophobicContact CB-CG 4.42Å; P580-F582 HydrophobicContact CB-CZ 4.07Å; P580-F582 HydrophobicContact CG-CE1 4.18Å; P580-F582 HydrophobicContact CG-CZ 4.45Å; P580-F582 PolarHBondContact O-N 3.22Å; P580-F582 VanDerWaalsContact O-N 3.14Å; P580-L583 HydrophobicContact CB-CG 4.42Å; P580-L583 HydrophobicContact CG-CD1 4.41Å; P580-L583 WeakPolarHBondContact O-CB 3.4Å; P580-L583 PolarHBondContact O-N 2.85Å; P580-V620 HydrophobicContact CG-CG1 3.89Å; P580-V621 WeakPolarHBondContact CD-O 3.12Å
581Q80.3Confident79.3Confident46 Ų4631.8 Ų31.822%0.21516%0.161CC..G310 helixtrans-54.8-35.1-178.9-170.1-179.119.600112.9A534 L583 D584 F588 E882A534-Q581 HydrophobicContact CB-CB 4.28Å; Q581-L583 PolarHBondContact O-N 2.9Å; Q581-D584 PolarHBondContact O-N 3.04Å; Q581-D584 VanDerWaalsContact O-N 3.12Å; Q581-F588 HydrophobicContact CG-CE2 3.94Å; Q581-F588 HydrophobicContact CG-CZ 4.06Å; Q581-F588 WeakPolarHBondContact O-CD2 3.33Å; Q581-F588 WeakPolarHBondContact O-CE2 3.15Å; Q581-E882 PolarHBondContact NE2-OE2 3.33Å
582F77.9Confident78.7Confident19 Ų1932.5 Ų32.58%0.08316%0.164CC..G310 helixtrans-69.33178.771.5-98.7000114.9P580 T591 L597 T600 M601 E604 F622P580-F582 HydrophobicContact CB-CD1 3.69Å; P580-F582 HydrophobicContact CB-CE1 3.48Å; P580-F582 VanDerWaalsContact CB-CE1 3.48Å; P580-F582 HydrophobicContact CB-CG 4.42Å; P580-F582 HydrophobicContact CB-CZ 4.07Å; P580-F582 HydrophobicContact CG-CE1 4.18Å; P580-F582 HydrophobicContact CG-CZ 4.45Å; P580-F582 PolarHBondContact O-N 3.22Å; P580-F582 VanDerWaalsContact O-N 3.14Å; F582-T591 WeakPolarHBondContact O-CG2 3.21Å; F582-L597 HydrophobicContact CD2-CD1 4.13Å; F582-L597 HydrophobicContact CE2-CD1 4.29Å; F582-T600 HydrophobicContact CB-CG2 4.17Å; F582-T600 HydrophobicContact CD1-CG2 4.19Å; F582-T600 HydrophobicContact CD2-CG2 3.73Å; F582-T600 HydrophobicContact CE2-CG2 4.1Å; F582-T600 HydrophobicContact CG-CG2 3.79Å; F582-T600 HydrophobicContact CZ-CG2 4.47Å; F582-M601 HydrophobicContact CE2-CG 3.97Å; F582-M601 HydrophobicContact CZ-CG 4.46Å; F582-E604 HydrophobicContact CD1-CG 4.18Å; F582-E604 HydrophobicContact CE1-CB 3.82Å; F582-E604 HydrophobicContact CE1-CG 3.83Å; F582-E604 HydrophobicContact CZ-CB 4.19Å; F582-E604 HydrophobicContact CZ-CG 4.42Å; F582-F622 HydrophobicContact CE2-CE1 4.08Å; F582-F622 AromaticContact CZ-CE1 3.89Å; F582-F622 HydrophobicContact CZ-CE1 3.89Å
583L76.2Confident78.5Confident20 Ų2029.8 Ų29.811%0.10515%0.151CC..G310 helixtrans-99.95.6171.1-55-179.1000113.3P580 Q581 W585 L597 F622P580-L583 HydrophobicContact CB-CG 4.42Å; P580-L583 HydrophobicContact CG-CD1 4.41Å; P580-L583 WeakPolarHBondContact O-CB 3.4Å; P580-L583 PolarHBondContact O-N 2.85Å; Q581-L583 PolarHBondContact O-N 2.9Å; L583-W585 PolarHBondContact O-N 3Å; L583-L597 HydrophobicContact CD2-CD1 4Å; L583-F622 HydrophobicContact CD1-CB 4.47Å; L583-F622 HydrophobicContact CD1-CD1 3.76Å; L583-F622 HydrophobicContact CD2-CD1 4.08Å; L583-F622 HydrophobicContact CG-CD1 4.48Å
584D70Confident78.2Confident34 Ų3422.5 Ų22.518%0.18211%0.113CC..  trans-83.188.8175.2-170.7-13.4000112Q581 S586 R587 F588Q581-D584 PolarHBondContact O-N 3.04Å; Q581-D584 VanDerWaalsContact O-N 3.12Å; D584-S586 PolarHBondContact O-N 2.84Å; D584-S586 VanDerWaalsContact O-N 3.15Å; D584-S586 VanDerWaalsContact OD1-CB 3.3Å; D584-S586 WeakPolarHBondContact OD1-CB 3.47Å; D584-S586 PolarHBondContact OD1-N 3.17Å; D584-S586 PolarHBondContact OD1-OG 2.74Å; D584-R587 HydrophobicContact CB-CG 4.5Å; D584-R587 PolarHBondContact O-N 3.26Å; D584-R587 VanDerWaalsContact O-N 3.12Å; D584-R587 WeakPolarHBondContact OD2-CD 3.49Å; D584-R587 WeakPolarHBondContact OD2-CG 3.4Å; D584-R587 IonicContact OD2-NE 2.7Å; D584-R587 PolarHBondContact OD2-NE 2.98Å; D584-F588 HydrophobicContact CB-CD2 4.04Å; D584-F588 HydrophobicContact CB-CE2 4.05Å; D584-F588 VanDerWaalsContact O-CD2 3.3Å; D584-F588 WeakPolarHBondContact O-CD2 3.02Å; D584-F588 PolarHBondContact O-N 3.1Å
585W62.6Low78Confident48 Ų4824.2 Ų24.218%0.18213%0.125CC..THydrogen-bonded Turntrans-61.5-16.3177.1-77.762.2000114L583 T591 H592 L594 L597 M628L583-W585 PolarHBondContact O-N 3Å; W585-T591 VanDerWaalsContact CH2-O 3.27Å; W585-T591 WeakPolarHBondContact CH2-O 3.47Å; W585-T591 WeakPolarHBondContact CZ2-O 3.27Å; W585-H592 AromaticContact CD2-ND1 3.85Å; W585-H592 AromaticContact CE3-CE1 3.55Å; W585-H592 AromaticContact CE3-ND1 3.07Å; W585-H592 HydrophobicContact CZ3-CB 4.29Å; W585-H592 AromaticContact CZ3-ND1 3.19Å; W585-H592 WeakPolarHBondContact CZ3-ND1 3.46Å; W585-L594 HydrophobicContact CH2-CD2 4.46Å; W585-L597 HydrophobicContact CZ2-CD2 4.21Å; W585-M628 HydrophobicContact CD2-CG 4.13Å; W585-M628 VanDerWaalsContact CE2-CG 3.47Å; W585-M628 HydrophobicContact CH2-CB 4.11Å; W585-M628 HydrophobicContact CH2-CG 4.05Å; W585-M628 HydrophobicContact CZ2-CB 3.75Å; W585-M628 HydrophobicContact CZ2-CE 3.9Å; W585-M628 HydrophobicContact CZ2-CG 3.45Å; W585-M628 VanDerWaalsContact CZ2-CG 3.45Å; W585-M628 HydrophobicContact CZ2-SD 4.22Å; W585-M628 PolarHBondContact NE1-SD 2.74Å; W585-M628 VanDerWaalsContact NE1-SD 3.41Å
586S57.9Low77.5Confident83 Ų8323 Ų2358%0.5812%0.119SC*.THydrogen-bonded Turntrans-74.6-30.717678.20000112D584 K879D584-S586 PolarHBondContact O-N 2.84Å; D584-S586 VanDerWaalsContact O-N 3.15Å; D584-S586 VanDerWaalsContact OD1-CB 3.3Å; D584-S586 WeakPolarHBondContact OD1-CB 3.47Å; D584-S586 PolarHBondContact OD1-N 3.17Å; D584-S586 PolarHBondContact OD1-OG 2.74Å; S586-K879 PolarHBondContact O-NZ 3.47Å
587R62.2Low77Confident63 Ų6323.1 Ų23.124%0.23812%0.12CC..THydrogen-bonded Turntrans-95.2-45.7-177.9-62.8178.5-171.6-127.8-11.6112.7Q535 D584 E882Q535-R587 VanDerWaalsContact NE2-NH2 3.18Å; D584-R587 HydrophobicContact CB-CG 4.5Å; D584-R587 PolarHBondContact O-N 3.26Å; D584-R587 VanDerWaalsContact O-N 3.12Å; D584-R587 WeakPolarHBondContact OD2-CD 3.49Å; D584-R587 WeakPolarHBondContact OD2-CG 3.4Å; D584-R587 IonicContact OD2-NE 2.7Å; D584-R587 PolarHBondContact OD2-NE 2.98Å; R587-E882 IonicContact CZ-OE2 2.91Å; R587-E882 IonicContact NH1-OE1 3.87Å; R587-E882 PolarHBondContact NH1-OE1 2.83Å; R587-E882 IonicContact NH1-OE2 3.24Å; R587-E882 PolarHBondContact NH1-OE2 2.9Å
588F65.9Low76.5Confident3 Ų323.7 Ų23.71%0.01312%0.122CC..  trans-107.293-162-56.6-62000113.2Q581 D584 L590 T591 T881 E882 I883Q581-F588 HydrophobicContact CG-CE2 3.94Å; Q581-F588 HydrophobicContact CG-CZ 4.06Å; Q581-F588 WeakPolarHBondContact O-CD2 3.33Å; Q581-F588 WeakPolarHBondContact O-CE2 3.15Å; D584-F588 HydrophobicContact CB-CD2 4.04Å; D584-F588 HydrophobicContact CB-CE2 4.05Å; D584-F588 VanDerWaalsContact O-CD2 3.3Å; D584-F588 WeakPolarHBondContact O-CD2 3.02Å; D584-F588 PolarHBondContact O-N 3.1Å; F588-L590 PolarHBondContact O-N 3.03Å; F588-T591 HydrophobicContact CB-CG2 3.83Å; F588-T591 WeakPolarHBondContact O-CB 3.42Å; F588-T591 PolarHBondContact O-N 2.8Å; F588-T591 VanDerWaalsContact O-N 3.07Å; F588-T591 PolarHBondContact O-OG1 2.78Å; F588-T881 HydrophobicContact CD1-CG2 3.86Å; F588-T881 HydrophobicContact CE1-CG2 3.83Å; F588-E882 HydrophobicContact CZ-CB 4.49Å; F588-I883 HydrophobicContact CD1-CD1 4Å; F588-I883 HydrophobicContact CD1-CG1 4.41Å; F588-I883 HydrophobicContact CE1-CD1 3.92Å; F588-I883 HydrophobicContact CE1-CG1 3.86Å; F588-I883 HydrophobicContact CG-CD1 4.43Å; F588-I883 HydrophobicContact CZ-CD1 4.29Å; F588-I883 HydrophobicContact CZ-CG1 4.16Å
589Y73.1Confident75.9Confident3 Ų325.1 Ų25.11%0.01213%0.13CC..G310 helixtrans-59.1-28.417670.2-84.8000113.3T591 H592 Y858 V870 L965 E969Y589-T591 PolarHBondContact O-N 3.02Å; Y589-T591 VanDerWaalsContact O-N 3.09Å; Y589-H592 VanDerWaalsContact O-CB 3.24Å; Y589-H592 WeakPolarHBondContact O-CB 3.4Å; Y589-H592 PolarHBondContact O-CD2 2.9Å; Y589-H592 VanDerWaalsContact O-CD2 3.29Å; Y589-H592 PolarHBondContact O-N 3.06Å; Y589-Y858 WeakPolarHBondContact CB-OH 3.19Å; Y589-V870 HydrophobicContact CD2-CG1 3.95Å; Y589-V870 HydrophobicContact CG-CG1 4.24Å; Y589-L965 HydrophobicContact CE1-CD1 3.89Å; Y589-L965 HydrophobicContact CE1-CD2 3.97Å; Y589-L965 HydrophobicContact CE1-CG 4.14Å; Y589-L965 HydrophobicContact CE2-CD2 4.23Å; Y589-L965 WeakPolarHBondContact OH-CG 3.41Å; Y589-E969 WeakPolarHBondContact OH-CG 3.5Å; Y589-E969 PolarHBondContact OH-OE1 3.09Å
590L73.5Confident75.5Confident12 Ų1225.1 Ų25.16%0.06313%0.13CC..G310 helixtrans-55.6-25.1174.6-65.4177.4000113.6F588 H592 D593 I596 E969 I972 Y973 P1046F588-L590 PolarHBondContact O-N 3.03Å; L590-H592 VanDerWaalsContact C-N 3.31Å; L590-D593 PolarHBondContact O-N 3.27Å; L590-I596 HydrophobicContact CB-CG2 4.34Å; L590-I596 VanDerWaalsContact O-CG2 3.24Å; L590-I596 WeakPolarHBondContact O-CG2 3.45Å; L590-E969 HydrophobicContact CD2-CG 4.07Å; L590-I972 HydrophobicContact CD1-CD1 4.02Å; L590-I972 HydrophobicContact CD1-CG2 4.29Å; L590-Y973 VanDerWaalsContact CD2-OH 3.29Å; L590-Y973 WeakPolarHBondContact CD2-OH 3.37Å; L590-P1046 HydrophobicContact CD2-CB 3.88Å; L590-P1046 HydrophobicContact CD2-CG 4.12Å
591T70.9Confident75.5Confident9 Ų925.1 Ų25.16%0.05513%0.13CC..G310 helixtrans-77.5-16.8178.965.80000113.4F582 W585 F588 Y589 D593F582-T591 WeakPolarHBondContact O-CG2 3.21Å; W585-T591 VanDerWaalsContact CH2-O 3.27Å; W585-T591 WeakPolarHBondContact CH2-O 3.47Å; W585-T591 WeakPolarHBondContact CZ2-O 3.27Å; F588-T591 HydrophobicContact CB-CG2 3.83Å; F588-T591 WeakPolarHBondContact O-CB 3.42Å; F588-T591 PolarHBondContact O-N 2.8Å; F588-T591 VanDerWaalsContact O-N 3.07Å; F588-T591 PolarHBondContact O-OG1 2.78Å; Y589-T591 PolarHBondContact O-N 3.02Å; Y589-T591 VanDerWaalsContact O-N 3.09Å; T591-D593 PolarHBondContact O-N 3.03Å
592H74.2Confident75.9Confident16 Ų1625.8 Ų25.87%0.07413%0.132CC..G310 helixtrans-67-25.9173.5-51.3-23.9000111.1W585 Y589 L590 L594 Y858 S862 W867W585-H592 AromaticContact CD2-ND1 3.85Å; W585-H592 AromaticContact CE3-CE1 3.55Å; W585-H592 AromaticContact CE3-ND1 3.07Å; W585-H592 HydrophobicContact CZ3-CB 4.29Å; W585-H592 AromaticContact CZ3-ND1 3.19Å; W585-H592 WeakPolarHBondContact CZ3-ND1 3.46Å; Y589-H592 VanDerWaalsContact O-CB 3.24Å; Y589-H592 WeakPolarHBondContact O-CB 3.4Å; Y589-H592 PolarHBondContact O-CD2 2.9Å; Y589-H592 VanDerWaalsContact O-CD2 3.29Å; Y589-H592 PolarHBondContact O-N 3.06Å; L590-H592 VanDerWaalsContact C-N 3.31Å; H592-L594 PolarHBondContact O-N 3.36Å; H592-Y858 PolarHBondContact NE2-OH 3.23Å; H592-S862 WeakPolarHBondContact CD2-CB 3.41Å; H592-S862 PolarHBondContact CD2-OG 2.87Å; H592-S862 VanDerWaalsContact CD2-OG 3.31Å; H592-W867 HydrophobicContact CB-CH2 4.19Å; H592-W867 HydrophobicContact CB-CZ3 4.24Å
593D79.1Confident76.1Confident6 Ų625.8 Ų25.83%0.03213%0.134CC..SBendtrans-79106.9163.7-174.9-35.8000109.1L590 T591 N595 I596 L597 W867 S1045 P1046 Y1047L590-D593 PolarHBondContact O-N 3.27Å; T591-D593 PolarHBondContact O-N 3.03Å; D593-N595 VanDerWaalsContact C-N 3.27Å; D593-N595 PolarHBondContact O-N 3.29Å; D593-N595 WeakPolarHBondContact OD1-CA 3.37Å; D593-N595 WeakPolarHBondContact OD1-CB 3.5Å; D593-N595 PolarHBondContact OD1-N 3.13Å; D593-I596 HydrophobicContact CB-CB 4.07Å; D593-I596 HydrophobicContact CB-CG1 4.34Å; D593-I596 PolarHBondContact O-N 3.03Å; D593-I596 PolarHBondContact OD1-N 2.91Å; D593-L597 PolarHBondContact O-N 2.55Å; D593-W867 HydrophobicContact CB-CH2 3.81Å; D593-W867 HydrophobicContact CB-CZ2 4.1Å; D593-S1045 WeakPolarHBondContact OD2-CB 3.46Å; D593-S1045 PolarHBondContact OD2-OG 3.23Å; D593-P1046 HydrophobicContact CB-CB 3.94Å; D593-P1046 HydrophobicContact CB-CG 3.96Å; D593-P1046 WeakPolarHBondContact OD2-CD 3.36Å; D593-Y1047 WeakPolarHBondContact OD2-CB 3.32Å; D593-Y1047 PolarHBondContact OD2-N 3.34Å
594L77.6Confident76.6Confident14 Ų1425.7 Ų25.77%0.07313%0.133CC..Hα-helixtrans-67-28.5-177.6-63.7167.2000112.7W585 H592 L597 I598 M628 P639 M642W585-L594 HydrophobicContact CH2-CD2 4.46Å; H592-L594 PolarHBondContact O-N 3.36Å; L594-L597 HydrophobicContact CD2-CD2 4.47Å; L594-L597 PolarHBondContact O-N 3.02Å; L594-I598 VanDerWaalsContact O-CB 3.28Å; L594-I598 WeakPolarHBondContact O-CB 3.18Å; L594-I598 VanDerWaalsContact O-CD1 3.22Å; L594-I598 WeakPolarHBondContact O-CD1 3.48Å; L594-I598 WeakPolarHBondContact O-CG1 3.43Å; L594-I598 PolarHBondContact O-N 2.87Å; L594-M628 WeakPolarHBondContact CD2-O 3.26Å; L594-P639 HydrophobicContact CD1-CB 3.84Å; L594-P639 HydrophobicContact CD1-CG 3.46Å; L594-P639 VanDerWaalsContact CD1-CG 3.46Å; L594-M642 HydrophobicContact CD2-CE 4.3Å
595N81.8Confident77.6Confident80 Ų8024.2 Ų24.243%0.42813%0.125SC..Hα-helixtrans-73.1-38.6177.8-66.1-37.3000110.2D593 D599 Y1047D593-N595 VanDerWaalsContact C-N 3.27Å; D593-N595 PolarHBondContact O-N 3.29Å; D593-N595 WeakPolarHBondContact OD1-CA 3.37Å; D593-N595 WeakPolarHBondContact OD1-CB 3.5Å; D593-N595 PolarHBondContact OD1-N 3.13Å; N595-D599 WeakPolarHBondContact O-CB 3.14Å; N595-D599 PolarHBondContact O-N 3.26Å; N595-Y1047 HydrophobicContact CB-CD1 3.8Å; N595-Y1047 HydrophobicContact CB-CD2 3.59Å; N595-Y1047 HydrophobicContact CB-CE1 4.3Å; N595-Y1047 HydrophobicContact CB-CE2 4.13Å; N595-Y1047 HydrophobicContact CB-CG 3.41Å; N595-Y1047 VanDerWaalsContact CB-CG 3.41Å
596I82.1Confident78.9Confident6 Ų624.7 Ų24.73%0.03113%0.131CC..Hα-helixtrans-61.8-44.9167.2-79.2-116.1000111.8L590 D593 D599 T600 Y973 P1046 Y1047 K1050L590-I596 HydrophobicContact CB-CG2 4.34Å; L590-I596 VanDerWaalsContact O-CG2 3.24Å; L590-I596 WeakPolarHBondContact O-CG2 3.45Å; D593-I596 HydrophobicContact CB-CB 4.07Å; D593-I596 HydrophobicContact CB-CG1 4.34Å; D593-I596 PolarHBondContact O-N 3.03Å; D593-I596 PolarHBondContact OD1-N 2.91Å; I596-D599 PolarHBondContact O-N 2.68Å; I596-T600 VanDerWaalsContact O-CB 3.3Å; I596-T600 WeakPolarHBondContact O-CB 3.4Å; I596-T600 PolarHBondContact O-N 3.34Å; I596-T600 PolarHBondContact O-OG1 2.84Å; I596-Y973 HydrophobicContact CD1-CD1 4.37Å; I596-Y973 HydrophobicContact CD1-CE1 3.45Å; I596-Y973 VanDerWaalsContact CD1-CE1 3.45Å; I596-P1046 HydrophobicContact CD1-CB 3.89Å; I596-P1046 WeakPolarHBondContact CD1-O 3.49Å; I596-P1046 HydrophobicContact CG1-CB 3.86Å; I596-Y1047 VanDerWaalsContact CG1-CA 3.48Å; I596-Y1047 HydrophobicContact CG1-CD2 4.46Å; I596-Y1047 VanDerWaalsContact CG1-N 3.32Å; I596-K1050 HydrophobicContact CD1-CB 4.17Å; I596-K1050 HydrophobicContact CD1-CD 3.99Å
597L83Confident80.2Confident2 Ų222.5 Ų22.51%0.0111%0.11CC..Hα-helixtrans-60.4-48.8177.7175.761.9000111.1F582 L583 W585 D593 L594 D599 T600 M601 M628 M642F582-L597 HydrophobicContact CD2-CD1 4.13Å; F582-L597 HydrophobicContact CE2-CD1 4.29Å; L583-L597 HydrophobicContact CD2-CD1 4Å; W585-L597 HydrophobicContact CZ2-CD2 4.21Å; D593-L597 PolarHBondContact O-N 2.55Å; L594-L597 HydrophobicContact CD2-CD2 4.47Å; L594-L597 PolarHBondContact O-N 3.02Å; L597-D599 VanDerWaalsContact C-N 3.33Å; L597-D599 PolarHBondContact O-N 3.19Å; L597-T600 PolarHBondContact O-N 3.21Å; L597-M601 HydrophobicContact CD1-CG 4.42Å; L597-M601 HydrophobicContact CD1-SD 4.5Å; L597-M601 HydrophobicContact CG-SD 4.23Å; L597-M601 VanDerWaalsContact O-CG 3.27Å; L597-M601 WeakPolarHBondContact O-CG 3.02Å; L597-M601 PolarHBondContact O-N 3.49Å; L597-M628 HydrophobicContact CD2-CE 3.4Å; L597-M642 HydrophobicContact CD2-CE 3.79Å; L597-M642 HydrophobicContact CG-CE 4.27Å
598I83.9Confident81.6Confident11 Ų1119.5 Ų19.56%0.05610%0.099CC..Hα-helixtrans-60.4-41.8177.6-72.5160.1000111.1L594 M601 K602 M642 A645L594-I598 VanDerWaalsContact O-CB 3.28Å; L594-I598 WeakPolarHBondContact O-CB 3.18Å; L594-I598 VanDerWaalsContact O-CD1 3.22Å; L594-I598 WeakPolarHBondContact O-CD1 3.48Å; L594-I598 WeakPolarHBondContact O-CG1 3.43Å; L594-I598 PolarHBondContact O-N 2.87Å; I598-M601 PolarHBondContact O-N 2.82Å; I598-K602 WeakPolarHBondContact O-CG 3.15Å; I598-K602 PolarHBondContact O-N 3.35Å; I598-M642 HydrophobicContact CD1-CB 4.22Å; I598-M642 HydrophobicContact CD1-CE 4.09Å; I598-M642 HydrophobicContact CG1-CE 3.6Å; I598-M642 HydrophobicContact CG1-SD 4.03Å; I598-A645 HydrophobicContact CG1-CB 4.38Å; I598-A645 HydrophobicContact CG2-CB 4.02Å
599D81.7Confident82.7Confident32 Ų3221.9 Ų21.917%0.17111%0.11CC..Hα-helixtrans-67.9-37.9175.3-100.922.3000113N595 I596 L597 K602 S603 K1050N595-D599 WeakPolarHBondContact O-CB 3.14Å; N595-D599 PolarHBondContact O-N 3.26Å; I596-D599 PolarHBondContact O-N 2.68Å; L597-D599 VanDerWaalsContact C-N 3.33Å; L597-D599 PolarHBondContact O-N 3.19Å; D599-K602 WeakPolarHBondContact O-CB 3.4Å; D599-K602 PolarHBondContact O-N 3.14Å; D599-K602 IonicContact OD1-NZ 2.92Å; D599-K602 PolarHBondContact OD1-NZ 3.12Å; D599-S603 PolarHBondContact O-N 2.81Å; D599-S603 PolarHBondContact O-OG 3.47Å; D599-K1050 IonicContact OD2-NZ 2.71Å; D599-K1050 PolarHBondContact OD2-NZ 2.82Å
600T83.6Confident83.2Confident18 Ų1826.1 Ų26.111%0.1114%0.136CC..Hα-helixtrans-63.5-45.6175.5-57.10000109.5F582 I596 L597 K602 S603 E604F582-T600 HydrophobicContact CB-CG2 4.17Å; F582-T600 HydrophobicContact CD1-CG2 4.19Å; F582-T600 HydrophobicContact CD2-CG2 3.73Å; F582-T600 HydrophobicContact CE2-CG2 4.1Å; F582-T600 HydrophobicContact CG-CG2 3.79Å; F582-T600 HydrophobicContact CZ-CG2 4.47Å; I596-T600 VanDerWaalsContact O-CB 3.3Å; I596-T600 WeakPolarHBondContact O-CB 3.4Å; I596-T600 PolarHBondContact O-N 3.34Å; I596-T600 PolarHBondContact O-OG1 2.84Å; L597-T600 PolarHBondContact O-N 3.21Å; T600-K602 VanDerWaalsContact C-N 3.32Å; T600-K602 PolarHBondContact O-N 2.87Å; T600-S603 WeakPolarHBondContact CA-OG 3.39Å; T600-S603 PolarHBondContact O-N 3.23Å; T600-S603 PolarHBondContact O-OG 3.41Å; T600-S603 VanDerWaalsContact O-OG 3.07Å; T600-E604 HydrophobicContact CG2-CG 3.89Å; T600-E604 WeakPolarHBondContact O-CB 3.42Å; T600-E604 VanDerWaalsContact O-CG 3.22Å; T600-E604 WeakPolarHBondContact O-CG 3.31Å; T600-E604 PolarHBondContact O-N 3.12Å
601M88Confident83.8Confident2 Ų225.9 Ų25.91%0.0114%0.135CC..Hα-helixtrans-54.8-45172-68.2169.869.800111.8F582 L597 I598 L605 F622 F624 M642 I649F582-M601 HydrophobicContact CE2-CG 3.97Å; F582-M601 HydrophobicContact CZ-CG 4.46Å; L597-M601 HydrophobicContact CD1-CG 4.42Å; L597-M601 HydrophobicContact CD1-SD 4.5Å; L597-M601 HydrophobicContact CG-SD 4.23Å; L597-M601 VanDerWaalsContact O-CG 3.27Å; L597-M601 WeakPolarHBondContact O-CG 3.02Å; L597-M601 PolarHBondContact O-N 3.49Å; I598-M601 PolarHBondContact O-N 2.82Å; M601-L605 WeakPolarHBondContact O-CB 3.33Å; M601-L605 WeakPolarHBondContact O-CD1 3.48Å; M601-L605 WeakPolarHBondContact O-CG 3.45Å; M601-L605 PolarHBondContact O-N 3.49Å; M601-F622 HydrophobicContact CB-CE1 4.48Å; M601-F622 HydrophobicContact CB-CZ 4.39Å; M601-F622 HydrophobicContact CE-CD1 3.98Å; M601-F622 HydrophobicContact CE-CD2 4.12Å; M601-F622 HydrophobicContact CE-CE1 3.86Å; M601-F622 HydrophobicContact CE-CE2 3.97Å; M601-F622 HydrophobicContact CE-CG 4.14Å; M601-F622 HydrophobicContact CE-CZ 3.85Å; M601-F622 HydrophobicContact CG-CD1 4.41Å; M601-F622 HydrophobicContact CG-CE1 3.69Å; M601-F622 HydrophobicContact CG-CZ 4.05Å; M601-F622 HydrophobicContact SD-CE1 4.33Å; M601-F624 HydrophobicContact CE-CZ 4.25Å; M601-M642 HydrophobicContact SD-CE 4.49Å; M601-M642 HydrophobicContact SD-SD 4.37Å; M601-I649 HydrophobicContact CE-CD1 4.22Å
602K88Confident84.6Confident61 Ų6126.1 Ų26.127%0.26514%0.135SC..Hα-helixtrans-60.6-52.5175.5-65.3164.5-159.9158.60111.8I598 D599 T600 E604 L606 L654 S655I598-K602 WeakPolarHBondContact O-CG 3.15Å; I598-K602 PolarHBondContact O-N 3.35Å; D599-K602 WeakPolarHBondContact O-CB 3.4Å; D599-K602 PolarHBondContact O-N 3.14Å; D599-K602 IonicContact OD1-NZ 2.92Å; D599-K602 PolarHBondContact OD1-NZ 3.12Å; T600-K602 VanDerWaalsContact C-N 3.32Å; T600-K602 PolarHBondContact O-N 2.87Å; K602-E604 PolarHBondContact O-N 3.5Å; K602-L606 WeakPolarHBondContact O-CB 3.48Å; K602-L606 PolarHBondContact O-N 3.23Å; K602-L654 HydrophobicContact CG-CD1 4.15Å; K602-L654 HydrophobicContact CG-CD2 4.03Å; K602-L654 HydrophobicContact CG-CG 4.07Å; K602-S655 WeakPolarHBondContact CG-OG 3.36Å
603S83.9Confident84.9Confident18 Ų1828.2 Ų28.213%0.12615%0.146CC..Hα-helixtrans-67.3-36.1-17553.30000112.8D599 T600 L606 Y607D599-S603 PolarHBondContact O-N 2.81Å; D599-S603 PolarHBondContact O-OG 3.47Å; T600-S603 WeakPolarHBondContact CA-OG 3.39Å; T600-S603 PolarHBondContact O-N 3.23Å; T600-S603 PolarHBondContact O-OG 3.41Å; T600-S603 VanDerWaalsContact O-OG 3.07Å; S603-L606 PolarHBondContact O-N 3.4Å; S603-Y607 WeakPolarHBondContact O-CB 3.32Å; S603-Y607 PolarHBondContact O-N 3.06Å
604E86.3Confident85.1Confident19 Ų1929.1 Ų29.19%0.08915%0.152CC..Hα-helixtrans-79.3-35.8-178.2-67.8-58.2150.900111.6L562 F582 T600 K602 L606 Y607 V608 R979L562-E604 HydrophobicContact CD2-CB 3.58Å; L562-E604 HydrophobicContact CD2-CG 4.34Å; L562-E604 WeakPolarHBondContact CD2-OE2 3.48Å; F582-E604 HydrophobicContact CD1-CG 4.18Å; F582-E604 HydrophobicContact CE1-CB 3.82Å; F582-E604 HydrophobicContact CE1-CG 3.83Å; F582-E604 HydrophobicContact CZ-CB 4.19Å; F582-E604 HydrophobicContact CZ-CG 4.42Å; T600-E604 HydrophobicContact CG2-CG 3.89Å; T600-E604 WeakPolarHBondContact O-CB 3.42Å; T600-E604 VanDerWaalsContact O-CG 3.22Å; T600-E604 WeakPolarHBondContact O-CG 3.31Å; T600-E604 PolarHBondContact O-N 3.12Å; K602-E604 PolarHBondContact O-N 3.5Å; E604-L606 VanDerWaalsContact C-N 3.3Å; E604-L606 PolarHBondContact O-N 2.86Å; E604-Y607 PolarHBondContact O-N 3.07Å; E604-V608 WeakPolarHBondContact O-CG2 3.43Å; E604-V608 PolarHBondContact O-N 3.29Å; E604-R979 IonicContact OE1-CZ 3.68Å; E604-R979 VanDerWaalsContact OE1-CZ 3.23Å; E604-R979 IonicContact OE1-NH1 3.84Å; E604-R979 PolarHBondContact OE1-NH1 3.03Å; E604-R979 IonicContact OE1-NH2 2.65Å; E604-R979 PolarHBondContact OE1-NH2 3.28Å; E604-R979 IonicContact OE2-NH1 3.66Å
605L91.3Very high85.5Confident3 Ų333.8 Ų33.82%0.01618%0.183CC..Hα-helixtrans-66.4-31167.7-71.9169.4000112.4V498 V500 M601 K609 V620 F622 I649 L654 T657V498-L605 HydrophobicContact CG1-CD2 3.7Å; V500-L605 HydrophobicContact CG2-CD2 4.07Å; M601-L605 WeakPolarHBondContact O-CB 3.33Å; M601-L605 WeakPolarHBondContact O-CD1 3.48Å; M601-L605 WeakPolarHBondContact O-CG 3.45Å; M601-L605 PolarHBondContact O-N 3.49Å; L605-K609 WeakPolarHBondContact O-CB 3.39Å; L605-K609 PolarHBondContact O-N 3.06Å; L605-V620 HydrophobicContact CD2-CB 4.13Å; L605-V620 HydrophobicContact CD2-CG1 4.36Å; L605-V620 HydrophobicContact CD2-CG2 3.91Å; L605-F622 HydrophobicContact CD1-CE2 4.36Å; L605-F622 HydrophobicContact CD1-CZ 4.28Å; L605-F622 HydrophobicContact CD2-CE2 4.49Å; L605-F622 HydrophobicContact CD2-CZ 4.43Å; L605-F622 HydrophobicContact CG-CZ 4.38Å; L605-I649 HydrophobicContact CD1-CD1 4.19Å; L605-L654 HydrophobicContact CD1-CD2 4.05Å; L605-T657 PolarHBondContact O-OG1 3.27Å; L605-T657 VanDerWaalsContact O-OG1 3.05Å
606L88.5Confident85.9Confident57 Ų5731.9 Ų31.930%0.29818%0.182SC..Hα-helixtrans-69.5-46.1171.8-17760.3000111.4K602 S603 E604 V608 K609 T610 T657K602-L606 WeakPolarHBondContact O-CB 3.48Å; K602-L606 PolarHBondContact O-N 3.23Å; S603-L606 PolarHBondContact O-N 3.4Å; E604-L606 VanDerWaalsContact C-N 3.3Å; E604-L606 PolarHBondContact O-N 2.86Å; L606-V608 PolarHBondContact O-N 3.02Å; L606-K609 PolarHBondContact O-N 3.44Å; L606-K609 VanDerWaalsContact O-N 3.13Å; L606-T610 HydrophobicContact CD1-CG2 4.22Å; L606-T610 PolarHBondContact O-N 2.99Å; L606-T610 PolarHBondContact O-OG1 3.14Å; L606-T610 VanDerWaalsContact O-OG1 3.14Å; L606-T657 WeakPolarHBondContact CA-OG1 3.5Å
607Y86.4Confident86.5Confident38 Ų3837 Ų3715%0.14920%0.201CC..Hα-helixtrans-55.8-50.2175.5170.5-115.8000111.9E294 L562 L563 S603 E604 K609 T610 T611E294-Y607 HydrophobicContact CG-CE2 4.12Å; L562-Y607 HydrophobicContact CD2-CD1 4.41Å; L563-Y607 HydrophobicContact CD2-CE1 3.95Å; L563-Y607 HydrophobicContact CG-CE1 4.06Å; S603-Y607 WeakPolarHBondContact O-CB 3.32Å; S603-Y607 PolarHBondContact O-N 3.06Å; E604-Y607 PolarHBondContact O-N 3.07Å; Y607-K609 VanDerWaalsContact C-N 3.31Å; Y607-K609 PolarHBondContact O-N 2.88Å; Y607-T610 WeakPolarHBondContact CA-OG1 3.42Å; Y607-T610 PolarHBondContact O-N 2.95Å; Y607-T610 PolarHBondContact O-OG1 3.5Å; Y607-T611 HydrophobicContact CE2-CG2 4.22Å; Y607-T611 WeakPolarHBondContact CE2-OG1 3.27Å; Y607-T611 WeakPolarHBondContact O-CB 3.49Å; Y607-T611 PolarHBondContact O-N 3.06Å; Y607-T611 PolarHBondContact O-OG1 2.58Å
608V90.3Very high87.1Confident0 Ų036.9 Ų36.90%020%0.201CC..Hα-helixtrans-54.6-48.5174.3171.70000110.8V498 L562 E604 L606 T610 T611 W612 P618V498-V608 HydrophobicContact CG1-CG1 4.21Å; V498-V608 HydrophobicContact CG2-CB 4.5Å; V498-V608 HydrophobicContact CG2-CG1 3.97Å; L562-V608 HydrophobicContact CD2-CG2 3.53Å; L562-V608 HydrophobicContact CG-CG2 3.62Å; E604-V608 WeakPolarHBondContact O-CG2 3.43Å; E604-V608 PolarHBondContact O-N 3.29Å; L606-V608 PolarHBondContact O-N 3.02Å; V608-T610 PolarHBondContact O-N 2.88Å; V608-T611 PolarHBondContact O-N 2.81Å; V608-W612 HydrophobicContact CG1-CE3 4.36Å; V608-W612 VanDerWaalsContact O-CB 3.32Å; V608-W612 WeakPolarHBondContact O-CB 3.11Å; V608-W612 PolarHBondContact O-N 3.12Å; V608-P618 HydrophobicContact CG1-CB 3.49Å; V608-P618 VanDerWaalsContact CG1-CB 3.49Å; V608-P618 HydrophobicContact CG1-CG 3.52Å
609K89.6Confident87.7Confident53 Ų5336.3 Ų36.323%0.2320%0.198CC..Hα-helixtrans-65.4-32.3-178.3-175.4-103.4176.8157.70114.1D495 T496 V498 L605 L606 Y607 G656 T657D495-K609 WeakPolarHBondContact OD1-CE 3.43Å; D495-K609 IonicContact OD1-NZ 2.72Å; T496-K609 VanDerWaalsContact O-CG 3.31Å; T496-K609 WeakPolarHBondContact O-CG 3.43Å; V498-K609 HydrophobicContact CG2-CB 3.89Å; L605-K609 WeakPolarHBondContact O-CB 3.39Å; L605-K609 PolarHBondContact O-N 3.06Å; L606-K609 PolarHBondContact O-N 3.44Å; L606-K609 VanDerWaalsContact O-N 3.13Å; Y607-K609 VanDerWaalsContact C-N 3.31Å; Y607-K609 PolarHBondContact O-N 2.88Å; K609-G656 PolarHBondContact NZ-O 2.71Å; K609-T657 HydrophobicContact CB-CG2 3.85Å; K609-T657 VanDerWaalsContact CB-OG1 3.28Å; K609-T657 WeakPolarHBondContact CB-OG1 3.46Å; K609-T657 HydrophobicContact CG-CG2 4.07Å
610T83.8Confident88.4Confident92 Ų9235 Ų3556%0.56419%0.191SC*.Hα-helixtrans-80.4-30.717749.30000113.3L606 Y607 V608L606-T610 HydrophobicContact CD1-CG2 4.22Å; L606-T610 PolarHBondContact O-N 2.99Å; L606-T610 PolarHBondContact O-OG1 3.14Å; L606-T610 VanDerWaalsContact O-OG1 3.14Å; Y607-T610 WeakPolarHBondContact CA-OG1 3.42Å; Y607-T610 PolarHBondContact O-N 2.95Å; Y607-T610 PolarHBondContact O-OG1 3.5Å; V608-T610 PolarHBondContact O-N 2.88Å
611T85.4Confident88.9Confident6 Ų634.1 Ų34.14%0.03719%0.186CC..Hα-helixtrans-101.9-24.8-166.3-70.80000113.6E294 L563 Y607 V608 N613E294-T611 HydrophobicContact CB-CG2 3.98Å; E294-T611 VanDerWaalsContact CD-CG2 3.43Å; E294-T611 HydrophobicContact CG-CG2 3.51Å; E294-T611 PolarHBondContact OE1-OG1 3.5Å; L563-T611 HydrophobicContact CD1-CG2 3.47Å; L563-T611 VanDerWaalsContact CD1-CG2 3.47Å; L563-T611 HydrophobicContact CD2-CG2 3.76Å; L563-T611 HydrophobicContact CG-CG2 4.25Å; Y607-T611 HydrophobicContact CE2-CG2 4.22Å; Y607-T611 WeakPolarHBondContact CE2-OG1 3.27Å; Y607-T611 WeakPolarHBondContact O-CB 3.49Å; Y607-T611 PolarHBondContact O-N 3.06Å; Y607-T611 PolarHBondContact O-OG1 2.58Å; V608-T611 PolarHBondContact O-N 2.81Å; T611-N613 PolarHBondContact O-N 2.91Å
612W88.7Confident89.1Confident15 Ų1534.1 Ų34.16%0.05719%0.185CC..  trans-55126.6-172.6-160.9-104.2000113.2T496 L563 K567 V608 V614 G616 P618 C672T496-W612 HydrophobicContact CG2-CB 3.84Å; T496-W612 HydrophobicContact CG2-CG 4.21Å; L563-W612 HydrophobicContact CB-CZ3 4.45Å; L563-W612 HydrophobicContact CD2-CE3 4.33Å; L563-W612 WeakPolarHBondContact O-CZ3 3.34Å; K567-W612 HydrophobicContact CG-CH2 3.76Å; V608-W612 HydrophobicContact CG1-CE3 4.36Å; V608-W612 VanDerWaalsContact O-CB 3.32Å; V608-W612 WeakPolarHBondContact O-CB 3.11Å; V608-W612 PolarHBondContact O-N 3.12Å; W612-V614 HydrophobicContact CD2-CG2 4.4Å; W612-V614 HydrophobicContact CZ2-CB 4.03Å; W612-V614 HydrophobicContact CZ2-CG2 4.29Å; W612-V614 PolarHBondContact NE1-O 2.93Å; W612-G616 PolarHBondContact NE1-O 3.15Å; W612-P618 HydrophobicContact CD2-CB 3.77Å; W612-P618 HydrophobicContact CD2-CG 3.94Å; W612-P618 HydrophobicContact CE3-CB 3.75Å; W612-P618 HydrophobicContact CE3-CG 4.31Å; W612-P618 HydrophobicContact CG-CB 4.46Å; W612-P618 HydrophobicContact CG-CG 4.11Å; W612-P618 HydrophobicContact CH2-CB 3.76Å; W612-P618 HydrophobicContact CZ2-CB 3.81Å; W612-P618 HydrophobicContact CZ3-CB 3.75Å; W612-C672 HydrophobicContact CH2-CB 4.37Å; W612-C672 HydrophobicContact CZ2-CB 3.67Å
613N81Confident89.1Confident59 Ų5932.2 Ų32.232%0.31618%0.179SC..  trans-138.714.1-17560.217.6000112.3T611T611-N613 PolarHBondContact O-N 2.91Å
614V83.5Confident89.2Confident25 Ų2531.4 Ų31.415%0.15217%0.173CC..SBendtrans-103.9142.3-174.2-1610000109.8T290 W612 G616 C672T290-V614 HydrophobicContact CG2-CG2 3.8Å; W612-V614 HydrophobicContact CD2-CG2 4.4Å; W612-V614 HydrophobicContact CZ2-CB 4.03Å; W612-V614 HydrophobicContact CZ2-CG2 4.29Å; W612-V614 PolarHBondContact NE1-O 2.93Å; V614-G616 VanDerWaalsContact O-O 3.09Å; V614-C672 WeakPolarHBondContact CG1-SG 3.34Å
615P85.3Confident88.9Confident112 Ų11231.5 Ų31.573%0.72718%0.176SC*.SBendtrans-57.4138.8170.7-26.836000112.9C672P615-C672 VanDerWaalsContact O-CB 3.31Å; P615-C672 WeakPolarHBondContact O-CB 3.39Å; P615-C672 PolarHBondContact O-SG 2.94Å
616G90.4Very high88.2Confident40 Ų4032.8 Ų32.841%0.41219%0.185SC..SBendtrans85.1162.4-170.100000112.6W612 V614W612-G616 PolarHBondContact NE1-O 3.15Å; V614-G616 VanDerWaalsContact O-O 3.09Å
617R94.2Very high87.3Confident113 Ų11332.6 Ų32.643%0.42619%0.192SC..BIsolated β-bridgetrans-82.5151.8179.8-69.2178.9-179.2167.90.2111.7Q499 T670 S671 C672Q499-R617 HydrophobicContact CG-CB 4.06Å; R617-T670 PolarHBondContact N-O 3.03Å; R617-S671 CarbonylContact O-C 3.56Å; R617-S671 WeakPolarHBondContact O-CA 3.44Å; R617-C672 PolarHBondContact O-N 2.97Å
618P96.6Very high86.5Confident0 Ų031 Ų310%019%0.185CC..  trans-76.3137.9171.227.4-28.1000111.1T496 V498 Q499 S566 V608 W612T496-P618 HydrophobicContact CG2-CG 3.77Å; V498-P618 HydrophobicContact CB-CG 4.48Å; V498-P618 HydrophobicContact CG1-CG 4.35Å; V498-P618 HydrophobicContact CG2-CG 4.16Å; Q499-P618 WeakPolarHBondContact CB-O 3.36Å; Q499-P618 PolarHBondContact N-O 2.95Å; S566-P618 WeakPolarHBondContact O-CA 3.49Å; V608-P618 HydrophobicContact CG1-CB 3.49Å; V608-P618 VanDerWaalsContact CG1-CB 3.49Å; V608-P618 HydrophobicContact CG1-CG 3.52Å; W612-P618 HydrophobicContact CD2-CB 3.77Å; W612-P618 HydrophobicContact CD2-CG 3.94Å; W612-P618 HydrophobicContact CE3-CB 3.75Å; W612-P618 HydrophobicContact CE3-CG 4.31Å; W612-P618 HydrophobicContact CG-CB 4.46Å; W612-P618 HydrophobicContact CG-CG 4.11Å; W612-P618 HydrophobicContact CH2-CB 3.76Å; W612-P618 HydrophobicContact CZ2-CB 3.81Å; W612-P618 HydrophobicContact CZ3-CB 3.75Å
619L96.5Very high85.6Confident0 Ų031 Ų310%019%0.186CC..EExtended strand (participates in β ladder)trans-115.5113172.5172.457.8000110.5Q499 A501 S566 M568 V577 V621 I664 F667Q499-L619 HydrophobicContact CB-CB 4.38Å; Q499-L619 HydrophobicContact CB-CD1 3.95Å; Q499-L619 WeakPolarHBondContact O-CA 2.97Å; A501-L619 HydrophobicContact CB-CD1 4.07Å; S566-L619 CarbonylContact C-O 3.53Å; S566-L619 VanDerWaalsContact CA-O 3.22Å; S566-L619 WeakPolarHBondContact CA-O 3.5Å; S566-L619 PolarHBondContact O-N 2.87Å; M568-L619 HydrophobicContact CE-CD2 3.44Å; M568-L619 VanDerWaalsContact CE-CD2 3.44Å; M568-L619 HydrophobicContact CG-CD2 4.43Å; V577-L619 HydrophobicContact CG1-CD2 4.29Å; L619-V621 HydrophobicContact CD2-CG2 4.38Å; L619-V621 HydrophobicContact CG-CG2 4.1Å; L619-I664 HydrophobicContact CD2-CG2 4.36Å; L619-F667 HydrophobicContact CD1-CD2 3.59Å; L619-F667 HydrophobicContact CD1-CE2 4.02Å; L619-F667 HydrophobicContact CD2-CB 4.49Å; L619-F667 HydrophobicContact CD2-CD2 4.43Å
620V95.8Very high84.4Confident4 Ų429.7 Ų29.72%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-96.3125.1172.4-176.50000109.3V498 Q499 V500 A501 P580 L605 F622V498-V620 HydrophobicContact CG1-CG2 3.92Å; Q499-V620 PolarHBondContact O-N 2.85Å; V500-V620 WeakPolarHBondContact CA-O 2.98Å; A501-V620 PolarHBondContact N-O 2.71Å; P580-V620 HydrophobicContact CG-CG1 3.89Å; L605-V620 HydrophobicContact CD2-CB 4.13Å; L605-V620 HydrophobicContact CD2-CG1 4.36Å; L605-V620 HydrophobicContact CD2-CG2 3.91Å; V620-F622 HydrophobicContact CB-CE2 4.47Å; V620-F622 HydrophobicContact CG1-CD2 4.41Å; V620-F622 HydrophobicContact CG1-CE1 4.07Å; V620-F622 HydrophobicContact CG1-CE2 3.77Å; V620-F622 HydrophobicContact CG1-CZ 3.57Å
621V94.2Very high83Confident0 Ų026.4 Ų26.40%017%0.167CC..EExtended strand (participates in β ladder)trans-105.9117.8178.8-175.80000110.5A501 L503 V531 V577 T579 P580 L619 I664A501-V621 HydrophobicContact CB-CG2 4.3Å; L503-V621 HydrophobicContact CD1-CG1 3.5Å; L503-V621 HydrophobicContact CG-CG1 3.89Å; V531-V621 HydrophobicContact CG1-CG1 4.42Å; V577-V621 HydrophobicContact CB-CG2 4.39Å; V577-V621 HydrophobicContact CG1-CG2 3.46Å; V577-V621 VanDerWaalsContact CG1-CG2 3.46Å; T579-V621 HydrophobicContact CG2-CG1 4.5Å; P580-V621 WeakPolarHBondContact CD-O 3.12Å; L619-V621 HydrophobicContact CD2-CG2 4.38Å; L619-V621 HydrophobicContact CG-CG2 4.1Å; V621-I664 HydrophobicContact CG1-CD1 4.33Å; V621-I664 HydrophobicContact CG2-CD1 4.27Å
622F91.2Very high81.3Confident1 Ų128.7 Ų28.70%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-99.2121171.9-63.4-71000110.5V500 A501 V502 L503 F582 L583 M601 L605 V620 F624V500-F622 HydrophobicContact CG1-CD2 3.49Å; V500-F622 VanDerWaalsContact CG1-CD2 3.49Å; V500-F622 HydrophobicContact CG1-CE2 3.58Å; A501-F622 PolarHBondContact O-N 2.9Å; V502-F622 WeakPolarHBondContact CA-O 3.29Å; L503-F622 PolarHBondContact N-O 2.94Å; F582-F622 HydrophobicContact CE2-CE1 4.08Å; F582-F622 AromaticContact CZ-CE1 3.89Å; F582-F622 HydrophobicContact CZ-CE1 3.89Å; L583-F622 HydrophobicContact CD1-CB 4.47Å; L583-F622 HydrophobicContact CD1-CD1 3.76Å; L583-F622 HydrophobicContact CD2-CD1 4.08Å; L583-F622 HydrophobicContact CG-CD1 4.48Å; M601-F622 HydrophobicContact CB-CE1 4.48Å; M601-F622 HydrophobicContact CB-CZ 4.39Å; M601-F622 HydrophobicContact CE-CD1 3.98Å; M601-F622 HydrophobicContact CE-CD2 4.12Å; M601-F622 HydrophobicContact CE-CE1 3.86Å; M601-F622 HydrophobicContact CE-CE2 3.97Å; M601-F622 HydrophobicContact CE-CG 4.14Å; M601-F622 HydrophobicContact CE-CZ 3.85Å; M601-F622 HydrophobicContact CG-CD1 4.41Å; M601-F622 HydrophobicContact CG-CE1 3.69Å; M601-F622 HydrophobicContact CG-CZ 4.05Å; M601-F622 HydrophobicContact SD-CE1 4.33Å; L605-F622 HydrophobicContact CD1-CE2 4.36Å; L605-F622 HydrophobicContact CD1-CZ 4.28Å; L605-F622 HydrophobicContact CD2-CE2 4.49Å; L605-F622 HydrophobicContact CD2-CZ 4.43Å; L605-F622 HydrophobicContact CG-CZ 4.38Å; V620-F622 HydrophobicContact CB-CE2 4.47Å; V620-F622 HydrophobicContact CG1-CD2 4.41Å; V620-F622 HydrophobicContact CG1-CE1 4.07Å; V620-F622 HydrophobicContact CG1-CE2 3.77Å; V620-F622 HydrophobicContact CG1-CZ 3.57Å; F622-F624 HydrophobicContact CB-CD2 4.25Å; F622-F624 HydrophobicContact CB-CE2 3.65Å; F622-F624 HydrophobicContact CB-CZ 4.43Å; F622-F624 HydrophobicContact CG-CE2 4.47Å
623V88.9Confident79.5Confident22 Ų2231.6 Ų31.613%0.13321%0.206CC..EExtended strand (participates in β ladder)trans-99.7128.6167.5175.60000108.3L503 E505 V523 V531 T579L503-V623 HydrophobicContact CB-CG2 4.15Å; L503-V623 HydrophobicContact CD1-CG2 3.96Å; L503-V623 HydrophobicContact CG-CG2 4.48Å; L503-V623 WeakPolarHBondContact O-CA 3.14Å; E505-V623 HydrophobicContact CB-CG1 4.42Å; V523-V623 HydrophobicContact CG2-CG1 3.84Å; V523-V623 HydrophobicContact CG2-CG2 3.88Å; V531-V623 HydrophobicContact CG1-CG2 4.26Å; T579-V623 HydrophobicContact CG2-CB 4.33Å; T579-V623 HydrophobicContact CG2-CG2 3.58Å
624F85.7Confident78.1Confident1 Ų135.8 Ų35.80%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-108.4124175.2-74.4-88.6000111.4V502 L503 E505 V509 M601 F622 M628 V629 M642 L646V502-F624 HydrophobicContact CG1-CD2 3.66Å; V502-F624 HydrophobicContact CG1-CE2 3.71Å; L503-F624 PolarHBondContact O-N 3.3Å; E505-F624 WeakPolarHBondContact CB-O 3.38Å; E505-F624 PolarHBondContact N-O 3.41Å; V509-F624 HydrophobicContact CG1-CB 3.96Å; M601-F624 HydrophobicContact CE-CZ 4.25Å; F622-F624 HydrophobicContact CB-CD2 4.25Å; F622-F624 HydrophobicContact CB-CE2 3.65Å; F622-F624 HydrophobicContact CB-CZ 4.43Å; F622-F624 HydrophobicContact CG-CE2 4.47Å; F624-M628 HydrophobicContact CB-SD 4.39Å; F624-M628 HydrophobicContact CD1-CB 4.14Å; F624-M628 HydrophobicContact CD1-CE 3.6Å; F624-M628 HydrophobicContact CD1-SD 3.95Å; F624-M628 HydrophobicContact CE1-CE 3.73Å; F624-M628 HydrophobicContact CG-CE 4.45Å; F624-M628 HydrophobicContact CG-SD 4.42Å; F624-V629 HydrophobicContact CB-CG2 4.04Å; F624-V629 HydrophobicContact CD1-CG2 4.27Å; F624-M642 HydrophobicContact CE1-CE 3.87Å; F624-M642 HydrophobicContact CE1-CG 4.19Å; F624-M642 HydrophobicContact CE1-SD 3.62Å; F624-M642 HydrophobicContact CZ-CE 4.46Å; F624-M642 HydrophobicContact CZ-SD 3.78Å; F624-L646 HydrophobicContact CE2-CD2 4.14Å; F624-L646 HydrophobicContact CZ-CD1 4.45Å; F624-L646 HydrophobicContact CZ-CD2 4.22Å
625S80.2Confident76.7Confident21 Ų2140.6 Ų40.615%0.14725%0.248CC..  trans-92.8158.1170.670.20000111.6E505 V509 A627 M628 V629E505-S625 WeakPolarHBondContact OE2-CA 3.27Å; E505-S625 WeakPolarHBondContact OE2-CB 3.45Å; V509-S625 VanDerWaalsContact CG2-C 3.43Å; S625-A627 PolarHBondContact O-N 3.34Å; S625-A627 VanDerWaalsContact O-N 3.1Å; S625-M628 PolarHBondContact N-SD 3.36Å; S625-M628 VanDerWaalsContact N-SD 3.45Å; S625-M628 PolarHBondContact O-N 3.04Å; S625-M628 VanDerWaalsContact OG-CG 3.29Å; S625-M628 WeakPolarHBondContact OG-CG 3.41Å; S625-V629 WeakPolarHBondContact O-CG2 3.48Å; S625-V629 PolarHBondContact O-N 3.34Å
626S76.4Confident75.5Confident29 Ų2941.8 Ų41.820%0.20324%0.242CC..Hα-helixtrans-58-28.8179.5-170.90000112.1D506 D508 V509 M628 V629 T630D506-S626 WeakPolarHBondContact OD2-CB 3.23Å; D508-S626 PolarHBondContact OD2-OG 3.42Å; V509-S626 VanDerWaalsContact CG2-CA 3.41Å; S626-M628 VanDerWaalsContact C-N 3.35Å; S626-M628 PolarHBondContact O-N 2.94Å; S626-V629 PolarHBondContact O-N 3.44Å; S626-V629 VanDerWaalsContact O-N 3.13Å; S626-T630 WeakPolarHBondContact O-CB 3.45Å; S626-T630 PolarHBondContact O-N 2.74Å; S626-T630 PolarHBondContact O-OG1 2.91Å
627A68.9Low74.4Confident53 Ų5345.5 Ų45.544%0.43825%0.249SC..Hα-helixtrans-62.4-35.3174.400000113.7S625 V629S625-A627 PolarHBondContact O-N 3.34Å; S625-A627 VanDerWaalsContact O-N 3.1Å; A627-V629 VanDerWaalsContact C-N 3.3Å
628M70.8Confident73.3Confident4 Ų440.5 Ų40.52%0.0223%0.231CC..Hα-helixtrans-73.4-26.5176.2-36.5-177.848.600112.2W585 L594 L597 F624 S625 S626W585-M628 HydrophobicContact CD2-CG 4.13Å; W585-M628 VanDerWaalsContact CE2-CG 3.47Å; W585-M628 HydrophobicContact CH2-CB 4.11Å; W585-M628 HydrophobicContact CH2-CG 4.05Å; W585-M628 HydrophobicContact CZ2-CB 3.75Å; W585-M628 HydrophobicContact CZ2-CE 3.9Å; W585-M628 HydrophobicContact CZ2-CG 3.45Å; W585-M628 VanDerWaalsContact CZ2-CG 3.45Å; W585-M628 HydrophobicContact CZ2-SD 4.22Å; W585-M628 PolarHBondContact NE1-SD 2.74Å; W585-M628 VanDerWaalsContact NE1-SD 3.41Å; L594-M628 WeakPolarHBondContact CD2-O 3.26Å; L597-M628 HydrophobicContact CD2-CE 3.4Å; F624-M628 HydrophobicContact CB-SD 4.39Å; F624-M628 HydrophobicContact CD1-CB 4.14Å; F624-M628 HydrophobicContact CD1-CE 3.6Å; F624-M628 HydrophobicContact CD1-SD 3.95Å; F624-M628 HydrophobicContact CE1-CE 3.73Å; F624-M628 HydrophobicContact CG-CE 4.45Å; F624-M628 HydrophobicContact CG-SD 4.42Å; S625-M628 PolarHBondContact N-SD 3.36Å; S625-M628 VanDerWaalsContact N-SD 3.45Å; S625-M628 PolarHBondContact O-N 3.04Å; S625-M628 VanDerWaalsContact OG-CG 3.29Å; S625-M628 WeakPolarHBondContact OG-CG 3.41Å; S626-M628 VanDerWaalsContact C-N 3.35Å; S626-M628 PolarHBondContact O-N 2.94Å
629V70Confident72.4Confident2 Ų241.8 Ų41.81%0.01224%0.239CC..Hα-helixtrans-102.2-20.8-164.4176.30000112.5V509 K512 F624 S625 S626 A627 V638 P639V509-V629 HydrophobicContact CG1-CG2 4.02Å; V509-V629 HydrophobicContact CG2-CB 4.27Å; V509-V629 HydrophobicContact CG2-CG2 4.11Å; K512-V629 HydrophobicContact CB-CG1 4.11Å; K512-V629 HydrophobicContact CD-CG1 4.07Å; F624-V629 HydrophobicContact CB-CG2 4.04Å; F624-V629 HydrophobicContact CD1-CG2 4.27Å; S625-V629 WeakPolarHBondContact O-CG2 3.48Å; S625-V629 PolarHBondContact O-N 3.34Å; S626-V629 PolarHBondContact O-N 3.44Å; S626-V629 VanDerWaalsContact O-N 3.13Å; A627-V629 VanDerWaalsContact C-N 3.3Å; V629-V638 HydrophobicContact CG1-CB 4.45Å; V629-V638 HydrophobicContact CG1-CG1 4.24Å; V629-V638 HydrophobicContact CG1-CG2 3.77Å; V629-P639 WeakPolarHBondContact O-CD 3.36Å
630T64.7Low71.7Confident24 Ų2449 Ų4915%0.14728%0.277CS..Hα-helixtrans-105-42.7-18051.40000114.3K512 S626 T633 K636K512-T630 HydrophobicContact CD-CG2 4.39Å; S626-T630 WeakPolarHBondContact O-CB 3.45Å; S626-T630 PolarHBondContact O-N 2.74Å; S626-T630 PolarHBondContact O-OG1 2.91Å; T630-T633 PolarHBondContact O-OG1 2.79Å; T630-K636 HydrophobicContact CG2-CB 4.32Å
631G55.7Low71Confident24 Ų2450.7 Ų50.725%0.24730%0.295CS..  trans61-168.4-16900000113.2T633G631-T633 VanDerWaalsContact C-N 3.34Å
632A49.6Very low70.6Confident54 Ų5450.8 Ų50.845%0.44630%0.296SS..SBendtrans-83.9-4171.700000114.3E634 R863 E864A632-E634 PolarHBondContact O-N 3.06Å; A632-R863 WeakPolarHBondContact CB-O 3.39Å; A632-E864 HydrophobicContact CB-CG 4.39Å
633T49.9Very low70.4Confident75 Ų7551.1 Ų51.146%0.4630%0.297SS..  trans-68.7122.2179.237.70000111.7T630 G631 D635 K636T630-T633 PolarHBondContact O-OG1 2.79Å; G631-T633 VanDerWaalsContact C-N 3.34Å; T633-D635 PolarHBondContact O-N 3.1Å; T633-K636 PolarHBondContact O-N 3.22Å; T633-K636 VanDerWaalsContact O-N 3.12Å
634E51.1Low70.3Confident147 Ų14751.5 Ų51.569%0.68731%0.306SS*.THydrogen-bonded Turntrans-55.1-30.8-168.8-57.9-172.312200115A632 K636 H733A632-E634 PolarHBondContact O-N 3.06Å; E634-K636 PolarHBondContact O-N 2.96Å; E634-H733 IonicContact OE1-CE1 2.69Å; E634-H733 PolarHBondContact OE1-CE1 2.64Å; E634-H733 IonicContact OE1-NE2 3.22Å; E634-H733 IonicContact OE2-CE1 2.73Å; E634-H733 PolarHBondContact OE2-CE1 3.3Å; E634-H733 IonicContact OE2-ND1 3.01Å
635D54.4Low70.5Confident126 Ų12651.8 Ų51.867%0.67431%0.308SS*.THydrogen-bonded Turntrans-61.9-18.5-180-81.1-46.6000114.5T633 Q637T633-D635 PolarHBondContact O-N 3.1Å; D635-Q637 HydrophobicContact CB-CB 4.49Å; D635-Q637 HydrophobicContact CB-CG 4.16Å; D635-Q637 PolarHBondContact O-N 3.16Å
636K61.3Low71Confident137 Ų13750.8 Ų50.860%0.59630%0.301SS*.  trans56.613.9-177.3-57.5163.1-170.5169.60114.9K512 T630 T633 E634K512-K636 WeakPolarHBondContact CE-O 3.36Å; T630-K636 HydrophobicContact CG2-CB 4.32Å; T633-K636 PolarHBondContact O-N 3.22Å; T633-K636 VanDerWaalsContact O-N 3.12Å; E634-K636 PolarHBondContact O-N 2.96Å
637Q65.7Low71.8Confident118 Ų11853.7 Ų53.755%0.55131%0.31SS*.PPolyproline II helixtrans-79152.3-179.7-69.1-173.151.200111.6D635 P639D635-Q637 HydrophobicContact CB-CB 4.49Å; D635-Q637 HydrophobicContact CB-CG 4.16Å; D635-Q637 PolarHBondContact O-N 3.16Å; Q637-P639 WeakPolarHBondContact O-CD 3.39Å
638V72.3Confident72.9Confident8 Ų857 Ų575%0.04832%0.315CS..PPolyproline II helixtrans-67.7128.7178.5-166.80000109.8K512 L513 Q516 V629 L640 I643K512-V638 HydrophobicContact CB-CG2 3.7Å; L513-V638 HydrophobicContact CD2-CG1 4.17Å; Q516-V638 HydrophobicContact CG-CG2 4.34Å; V629-V638 HydrophobicContact CG1-CB 4.45Å; V629-V638 HydrophobicContact CG1-CG1 4.24Å; V629-V638 HydrophobicContact CG1-CG2 3.77Å; V638-L640 PolarHBondContact O-N 2.7Å; V638-I643 HydrophobicContact CB-CD1 3.94Å; V638-I643 HydrophobicContact CB-CG1 3.82Å; V638-I643 HydrophobicContact CG1-CD1 4.43Å; V638-I643 HydrophobicContact CG1-CG1 3.8Å; V638-I643 WeakPolarHBondContact O-CD1 3.32Å
639P77.8Confident74Confident28 Ų2856.8 Ų56.818%0.18231%0.314CS..PPolyproline II helixtrans-53.3127.8178.4-3237.9000113.6L594 V629 Q637 G641 M642 I643L594-P639 HydrophobicContact CD1-CB 3.84Å; L594-P639 HydrophobicContact CD1-CG 3.46Å; L594-P639 VanDerWaalsContact CD1-CG 3.46Å; V629-P639 WeakPolarHBondContact O-CD 3.36Å; Q637-P639 WeakPolarHBondContact O-CD 3.39Å; P639-G641 VanDerWaalsContact C-N 3.27Å; P639-G641 PolarHBondContact O-N 2.81Å; P639-M642 HydrophobicContact CB-CB 4.42Å; P639-M642 WeakPolarHBondContact O-CA 3.15Å; P639-M642 WeakPolarHBondContact O-CB 3.18Å; P639-M642 PolarHBondContact O-N 2.81Å; P639-I643 PolarHBondContact O-N 2.77Å
640L81.6Confident75Confident150 Ų15062.2 Ų62.279%0.78534%0.337SS*.Hα-helixtrans-55.4-37.6-174.3-72.3171.4000113.7V638 M642 I643 G644V638-L640 PolarHBondContact O-N 2.7Å; L640-M642 VanDerWaalsContact C-N 3.32Å; L640-M642 PolarHBondContact O-N 3.15Å; L640-I643 HydrophobicContact CD2-CD1 4.21Å; L640-I643 PolarHBondContact O-N 2.79Å; L640-G644 PolarHBondContact O-N 3.14Å
641G81Confident76.3Confident40 Ų4065.6 Ų65.641%0.41236%0.362SS..Hα-helixtrans-61.1-39.3174.400000113P639 G644 A645P639-G641 VanDerWaalsContact C-N 3.27Å; P639-G641 PolarHBondContact O-N 2.81Å; G641-G644 PolarHBondContact O-N 3.48Å; G641-A645 WeakPolarHBondContact O-CB 3.44Å; G641-A645 PolarHBondContact O-N 3.29Å
642M84.7Confident78Confident2 Ų265.4 Ų65.41%0.0136%0.36CS..Hα-helixtrans-71.9-43.9178.5-171.759.971.200110.8L594 L597 I598 M601 F624 P639 L640 G644 A645 L646L594-M642 HydrophobicContact CD2-CE 4.3Å; L597-M642 HydrophobicContact CD2-CE 3.79Å; L597-M642 HydrophobicContact CG-CE 4.27Å; I598-M642 HydrophobicContact CD1-CB 4.22Å; I598-M642 HydrophobicContact CD1-CE 4.09Å; I598-M642 HydrophobicContact CG1-CE 3.6Å; I598-M642 HydrophobicContact CG1-SD 4.03Å; M601-M642 HydrophobicContact SD-CE 4.49Å; M601-M642 HydrophobicContact SD-SD 4.37Å; F624-M642 HydrophobicContact CE1-CE 3.87Å; F624-M642 HydrophobicContact CE1-CG 4.19Å; F624-M642 HydrophobicContact CE1-SD 3.62Å; F624-M642 HydrophobicContact CZ-CE 4.46Å; F624-M642 HydrophobicContact CZ-SD 3.78Å; P639-M642 HydrophobicContact CB-CB 4.42Å; P639-M642 WeakPolarHBondContact O-CA 3.15Å; P639-M642 WeakPolarHBondContact O-CB 3.18Å; P639-M642 PolarHBondContact O-N 2.81Å; L640-M642 VanDerWaalsContact C-N 3.32Å; L640-M642 PolarHBondContact O-N 3.15Å; M642-G644 VanDerWaalsContact C-N 3.27Å; M642-G644 PolarHBondContact O-N 2.94Å; M642-A645 PolarHBondContact O-N 2.79Å; M642-L646 HydrophobicContact CG-CD1 4.08Å; M642-L646 HydrophobicContact CG-CG 4.49Å; M642-L646 WeakPolarHBondContact O-CB 3.31Å; M642-L646 WeakPolarHBondContact O-CG 3.5Å; M642-L646 PolarHBondContact O-N 2.63Å; M642-L646 HydrophobicContact SD-CD1 4.44Å; M642-L646 HydrophobicContact SD-CG 4.39Å
643I86.7Confident80Confident8 Ų869.4 Ų69.44%0.04137%0.365CS..Hα-helixtrans-56-45.4171.5-61.3163.3000110.2Q516 V638 P639 L640 L646 K647Q516-I643 HydrophobicContact CB-CG1 4.36Å; Q516-I643 HydrophobicContact CB-CG2 4.32Å; Q516-I643 VanDerWaalsContact CD-CD1 3.48Å; Q516-I643 HydrophobicContact CG-CD1 3.73Å; Q516-I643 HydrophobicContact CG-CG1 3.99Å; V638-I643 HydrophobicContact CB-CD1 3.94Å; V638-I643 HydrophobicContact CB-CG1 3.82Å; V638-I643 HydrophobicContact CG1-CD1 4.43Å; V638-I643 HydrophobicContact CG1-CG1 3.8Å; V638-I643 WeakPolarHBondContact O-CD1 3.32Å; P639-I643 PolarHBondContact O-N 2.77Å; L640-I643 HydrophobicContact CD2-CD1 4.21Å; L640-I643 PolarHBondContact O-N 2.79Å; I643-L646 PolarHBondContact O-N 2.84Å; I643-K647 HydrophobicContact CG2-CD 3.68Å; I643-K647 VanDerWaalsContact CG2-CE 3.41Å; I643-K647 HydrophobicContact CG2-CG 4.21Å; I643-K647 VanDerWaalsContact O-CB 3.28Å; I643-K647 WeakPolarHBondContact O-CB 3.5Å; I643-K647 VanDerWaalsContact O-CG 3.31Å; I643-K647 WeakPolarHBondContact O-CG 3.44Å; I643-K647 PolarHBondContact O-N 2.89Å
644G88.8Confident81.8Confident31 Ų3166.2 Ų66.232%0.3235%0.345SS..Hα-helixtrans-64.4-38.9179.100000113.6L640 G641 M642 K648L640-G644 PolarHBondContact O-N 3.14Å; G641-G644 PolarHBondContact O-N 3.48Å; M642-G644 VanDerWaalsContact C-N 3.27Å; M642-G644 PolarHBondContact O-N 2.94Å; G644-K648 WeakPolarHBondContact O-CB 3.34Å; G644-K648 VanDerWaalsContact O-CG 3.3Å; G644-K648 WeakPolarHBondContact O-CG 3.25Å; G644-K648 PolarHBondContact O-N 3.35Å; G644-K648 VanDerWaalsContact O-N 3.13Å
645A88.9Confident83.3Confident6 Ų662.1 Ų62.15%0.0533%0.332CS..Hα-helixtrans-66.3-49.5174.400000111.7I598 G641 M642 K648 I649I598-A645 HydrophobicContact CG1-CB 4.38Å; I598-A645 HydrophobicContact CG2-CB 4.02Å; G641-A645 WeakPolarHBondContact O-CB 3.44Å; G641-A645 PolarHBondContact O-N 3.29Å; M642-A645 PolarHBondContact O-N 2.79Å; A645-K648 WeakPolarHBondContact O-CB 3.42Å; A645-K648 PolarHBondContact O-N 3.22Å; A645-I649 WeakPolarHBondContact O-CG1 3.4Å; A645-I649 PolarHBondContact O-N 3.38Å
646L91.3Very high84.7Confident0 Ų057.3 Ų57.30%031%0.312CS..Hα-helixtrans-65.3-39.5179.5-67.2173.5000112.2V502 L513 I518 F624 M642 I643 K648 I649 K650V502-L646 HydrophobicContact CG1-CD2 4.38Å; V502-L646 HydrophobicContact CG2-CD2 4.14Å; L513-L646 HydrophobicContact CD2-CD1 3.83Å; I518-L646 HydrophobicContact CD1-CB 3.68Å; I518-L646 HydrophobicContact CD1-CD1 4.08Å; F624-L646 HydrophobicContact CE2-CD2 4.14Å; F624-L646 HydrophobicContact CZ-CD1 4.45Å; F624-L646 HydrophobicContact CZ-CD2 4.22Å; M642-L646 HydrophobicContact CG-CD1 4.08Å; M642-L646 HydrophobicContact CG-CG 4.49Å; M642-L646 WeakPolarHBondContact O-CB 3.31Å; M642-L646 WeakPolarHBondContact O-CG 3.5Å; M642-L646 PolarHBondContact O-N 2.63Å; M642-L646 HydrophobicContact SD-CD1 4.44Å; M642-L646 HydrophobicContact SD-CG 4.39Å; I643-L646 PolarHBondContact O-N 2.84Å; L646-K648 VanDerWaalsContact C-N 3.33Å; L646-K648 PolarHBondContact O-N 3.48Å; L646-I649 PolarHBondContact O-N 2.77Å; L646-K650 WeakPolarHBondContact O-CB 3.48Å; L646-K650 PolarHBondContact O-N 2.76Å
647K92Very high86.1Confident90 Ų9050.8 Ų50.839%0.39128%0.284SS..Hα-helixtrans-63.5-35.8173.4-75.7178.8-178.4167.40112.3Q516 I518 I643 K650 S651Q516-K647 WeakPolarHBondContact O-CE 3.33Å; Q516-K647 PolarHBondContact O-NZ 2.94Å; I518-K647 HydrophobicContact CD1-CG 4.44Å; I518-K647 HydrophobicContact CG1-CG 4.43Å; I643-K647 HydrophobicContact CG2-CD 3.68Å; I643-K647 VanDerWaalsContact CG2-CE 3.41Å; I643-K647 HydrophobicContact CG2-CG 4.21Å; I643-K647 VanDerWaalsContact O-CB 3.28Å; I643-K647 WeakPolarHBondContact O-CB 3.5Å; I643-K647 VanDerWaalsContact O-CG 3.31Å; I643-K647 WeakPolarHBondContact O-CG 3.44Å; I643-K647 PolarHBondContact O-N 2.89Å; K647-K650 PolarHBondContact O-N 2.65Å; K647-S651 PolarHBondContact O-N 2.84Å; K647-S651 PolarHBondContact O-OG 2.71Å
648K92.8Very high87.4Confident122 Ų12251.3 Ų51.353%0.5328%0.281SS..Hα-helixtrans-67.7-41.4173.4-78.7175.6-179.2-179.90112.9G644 A645 L646 K650 S651 G652 Y653 L654G644-K648 WeakPolarHBondContact O-CB 3.34Å; G644-K648 VanDerWaalsContact O-CG 3.3Å; G644-K648 WeakPolarHBondContact O-CG 3.25Å; G644-K648 PolarHBondContact O-N 3.35Å; G644-K648 VanDerWaalsContact O-N 3.13Å; A645-K648 WeakPolarHBondContact O-CB 3.42Å; A645-K648 PolarHBondContact O-N 3.22Å; L646-K648 VanDerWaalsContact C-N 3.33Å; L646-K648 PolarHBondContact O-N 3.48Å; K648-K650 VanDerWaalsContact C-N 3.33Å; K648-K650 PolarHBondContact O-N 2.99Å; K648-S651 WeakPolarHBondContact CA-OG 3.34Å; K648-S651 PolarHBondContact O-N 3.18Å; K648-S651 PolarHBondContact O-OG 2.83Å; K648-G652 PolarHBondContact O-N 3.5Å; K648-Y653 CarbonylContact C-O 3.53Å; K648-Y653 CarbonylContact O-C 3.45Å; K648-Y653 PolarHBondContact O-N 3.01Å; K648-Y653 VanDerWaalsContact O-N 3.12Å; K648-Y653 VanDerWaalsContact O-O 3.08Å; K648-L654 HydrophobicContact CB-CD1 4.1Å; K648-L654 HydrophobicContact CD-CD1 4.29Å
649I92.7Very high88.5Confident0 Ų051 Ų510%028%0.279CS..Hα-helixtrans-60.8-44.3172.5-66.7168.9000110.4V500 M601 L605 A645 L646 G652 L654 T659 M661V500-I649 HydrophobicContact CB-CG2 3.87Å; V500-I649 HydrophobicContact CG1-CG2 3.93Å; V500-I649 HydrophobicContact CG2-CG2 4Å; M601-I649 HydrophobicContact CE-CD1 4.22Å; L605-I649 HydrophobicContact CD1-CD1 4.19Å; A645-I649 WeakPolarHBondContact O-CG1 3.4Å; A645-I649 PolarHBondContact O-N 3.38Å; L646-I649 PolarHBondContact O-N 2.77Å; I649-G652 PolarHBondContact O-N 3.33Å; I649-G652 VanDerWaalsContact O-N 3.08Å; I649-L654 HydrophobicContact CD1-CD2 3.93Å; I649-L654 HydrophobicContact CG1-CB 4.2Å; I649-L654 HydrophobicContact CG1-CD2 3.75Å; I649-T659 WeakPolarHBondContact CA-OG1 3.45Å; I649-T659 HydrophobicContact CG2-CG2 4.46Å; I649-T659 PolarHBondContact O-OG1 3.36Å; I649-M661 HydrophobicContact CG2-CB 4.29Å
650K91.6Very high89.3Confident116 Ų11652.6 Ų52.650%0.50429%0.288SS..Hα-helixtrans-64.9-36.1176.5-164.6-174.6-175.1-168.90113.3G517 L646 K647 K648 G652 M661G517-K650 PolarHBondContact O-NZ 3.3Å; L646-K650 WeakPolarHBondContact O-CB 3.48Å; L646-K650 PolarHBondContact O-N 2.76Å; K647-K650 PolarHBondContact O-N 2.65Å; K648-K650 VanDerWaalsContact C-N 3.33Å; K648-K650 PolarHBondContact O-N 2.99Å; K650-G652 PolarHBondContact O-N 3.44Å; K650-M661 HydrophobicContact CB-SD 3.91Å; K650-M661 HydrophobicContact CG-SD 4.18Å
651S91.5Very high90Very high96 Ų9647.2 Ų47.267%0.67126%0.259SS*.THydrogen-bonded Turntrans-76.1-1172.764.50000113.9K647 K648K647-S651 PolarHBondContact O-N 2.84Å; K647-S651 PolarHBondContact O-OG 2.71Å; K648-S651 WeakPolarHBondContact CA-OG 3.34Å; K648-S651 PolarHBondContact O-N 3.18Å; K648-S651 PolarHBondContact O-OG 2.83Å
652G91.6Very high90.5Very high20 Ų2046.3 Ų46.321%0.20625%0.25CS..THydrogen-bonded Turntrans92.610.2169.600000116.5K648 I649 K650 R658 T659K648-G652 PolarHBondContact O-N 3.5Å; I649-G652 PolarHBondContact O-N 3.33Å; I649-G652 VanDerWaalsContact O-N 3.08Å; K650-G652 PolarHBondContact O-N 3.44Å; G652-R658 WeakPolarHBondContact O-CA 3.39Å; G652-T659 CarbonylContact C-O 3.52Å; G652-T659 WeakPolarHBondContact CA-O 3.41Å; G652-T659 WeakPolarHBondContact CA-OG1 3.28Å; G652-T659 PolarHBondContact O-N 3.21Å
653Y91.5Very high90.9Very high138 Ų13850.6 Ų50.654%0.54127%0.268SS..EExtended strand (participates in β ladder)trans-153.3127179.1-167.9-95.4000113.6K648 G656 T657 T659K648-Y653 CarbonylContact C-O 3.53Å; K648-Y653 CarbonylContact O-C 3.45Å; K648-Y653 PolarHBondContact O-N 3.01Å; K648-Y653 VanDerWaalsContact O-N 3.12Å; K648-Y653 VanDerWaalsContact O-O 3.08Å; Y653-G656 WeakPolarHBondContact OH-CA 3.45Å; Y653-T657 WeakPolarHBondContact CA-O 3.42Å; Y653-T657 WeakPolarHBondContact CD2-O 3.17Å; Y653-T659 PolarHBondContact N-OG1 3.45Å
654L88.9Confident91.1Very high8 Ų850.2 Ų50.24%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-136.5121.3171.8-177.365000110.2K602 L605 K648 I649 G656 T657K602-L654 HydrophobicContact CG-CD1 4.15Å; K602-L654 HydrophobicContact CG-CD2 4.03Å; K602-L654 HydrophobicContact CG-CG 4.07Å; L605-L654 HydrophobicContact CD1-CD2 4.05Å; K648-L654 HydrophobicContact CB-CD1 4.1Å; K648-L654 HydrophobicContact CD-CD1 4.29Å; I649-L654 HydrophobicContact CD1-CD2 3.93Å; I649-L654 HydrophobicContact CG1-CB 4.2Å; I649-L654 HydrophobicContact CG1-CD2 3.75Å; L654-G656 PolarHBondContact O-N 3.29Å; L654-G656 VanDerWaalsContact O-N 3.14Å; L654-T657 PolarHBondContact N-O 3.03Å; L654-T657 WeakPolarHBondContact O-CB 3.27Å; L654-T657 PolarHBondContact O-N 2.85Å
655S82.5Confident91.2Very high61 Ų6150.6 Ų50.643%0.42727%0.27SS..THydrogen-bonded Turntrans47.844.9164.3-65.10000116.7K602K602-S655 WeakPolarHBondContact CG-OG 3.36Å
656G84Confident91.3Very high24 Ų2455 Ų5525%0.24729%0.293CS..THydrogen-bonded Turntrans98.7-12.7179.700000114.8K609 Y653 L654K609-G656 PolarHBondContact NZ-O 2.71Å; Y653-G656 WeakPolarHBondContact OH-CA 3.45Å; L654-G656 PolarHBondContact O-N 3.29Å; L654-G656 VanDerWaalsContact O-N 3.14Å
657T89.7Confident91.4Very high0 Ų055.5 Ų55.50%030%0.296CS..EExtended strand (participates in β ladder)trans-105.8130.3-179.6-69.70000111.4V498 L605 L606 K609 Y653 L654 T659V498-T657 HydrophobicContact CB-CG2 4Å; V498-T657 HydrophobicContact CG2-CG2 3.63Å; L605-T657 PolarHBondContact O-OG1 3.27Å; L605-T657 VanDerWaalsContact O-OG1 3.05Å; L606-T657 WeakPolarHBondContact CA-OG1 3.5Å; K609-T657 HydrophobicContact CB-CG2 3.85Å; K609-T657 VanDerWaalsContact CB-OG1 3.28Å; K609-T657 WeakPolarHBondContact CB-OG1 3.46Å; K609-T657 HydrophobicContact CG-CG2 4.07Å; Y653-T657 WeakPolarHBondContact CA-O 3.42Å; Y653-T657 WeakPolarHBondContact CD2-O 3.17Å; L654-T657 PolarHBondContact N-O 3.03Å; L654-T657 WeakPolarHBondContact O-CB 3.27Å; L654-T657 PolarHBondContact O-N 2.85Å; T657-T659 HydrophobicContact CG2-CG2 3.96Å
658R93.9Very high91.4Very high130 Ų13053 Ų5349%0.49129%0.288SS..EExtended strand (participates in β ladder)trans-78.7123.7166.7-160.1-166.7-49.3-124.12.1108.5D495 V497 V498 G652D495-R658 IonicContact OD2-CZ 3.53Å; D495-R658 VanDerWaalsContact OD2-CZ 3.24Å; D495-R658 IonicContact OD2-NE 3.67Å; D495-R658 PolarHBondContact OD2-NE 3.28Å; D495-R658 IonicContact OD2-NH2 3.52Å; D495-R658 PolarHBondContact OD2-NH2 3.02Å; V497-R658 HydrophobicContact CG1-CG 4.36Å; V498-R658 PolarHBondContact N-O 3.1Å; G652-R658 WeakPolarHBondContact O-CA 3.39Å
659T95.2Very high91.4Very high2 Ų253.5 Ų53.51%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-113.6158.7-178.353.60000111.4V498 V500 I649 G652 Y653 T657V498-T659 CarbonylContact O-C 3.47Å; V498-T659 VanDerWaalsContact O-CA 3.26Å; V498-T659 WeakPolarHBondContact O-CA 3.41Å; V500-T659 HydrophobicContact CG2-CG2 4.29Å; I649-T659 WeakPolarHBondContact CA-OG1 3.45Å; I649-T659 HydrophobicContact CG2-CG2 4.46Å; I649-T659 PolarHBondContact O-OG1 3.36Å; G652-T659 CarbonylContact C-O 3.52Å; G652-T659 WeakPolarHBondContact CA-O 3.41Å; G652-T659 WeakPolarHBondContact CA-OG1 3.28Å; G652-T659 PolarHBondContact O-N 3.21Å; Y653-T659 PolarHBondContact N-OG1 3.45Å; T657-T659 HydrophobicContact CG2-CG2 3.96Å
660V94.9Very high91.5Very high60 Ų6056 Ų5636%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-132.4123.3161.6176.30000107.9V497 V498 V500 F667V497-V660 HydrophobicContact CG1-CG2 3.67Å; V498-V660 PolarHBondContact O-N 2.99Å; V500-V660 PolarHBondContact N-O 3.27Å; V660-F667 HydrophobicContact CB-CE1 4.48Å; V660-F667 HydrophobicContact CG1-CE1 3.83Å; V660-F667 HydrophobicContact CG1-CZ 4.1Å; V660-F667 WeakPolarHBondContact O-CZ 3.44Å
661M95.1Very high91.6Very high38 Ų3851 Ų5119%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-93.5137175.2-170.7170.6169.400110.6V500 V502 I518 V520 I649 K650V500-M661 WeakPolarHBondContact O-CA 3.35Å; V502-M661 HydrophobicContact CB-CE 3.71Å; V502-M661 HydrophobicContact CG2-CE 3.6Å; V502-M661 HydrophobicContact CG2-SD 4.24Å; I518-M661 HydrophobicContact CG2-CE 3.6Å; I518-M661 HydrophobicContact CG2-SD 4.42Å; V520-M661 HydrophobicContact CG1-CE 4.23Å; I649-M661 HydrophobicContact CG2-CB 4.29Å; K650-M661 HydrophobicContact CB-SD 3.91Å; K650-M661 HydrophobicContact CG-SD 4.18Å
662G92.6Very high91.6Very high21 Ų2146.8 Ų46.822%0.21627%0.267CS..EExtended strand (participates in β ladder)trans-174.4-176.7-177.800000111.8V500 A501V500-G662 PolarHBondContact O-N 3.01Å; A501-G662 WeakPolarHBondContact CA-O 3.39Å
663K92.1Very high91.7Very high91 Ų9149.1 Ų49.140%0.39627%0.273SS..  trans-83.1159.3175.7-63.9179.8-179.3177.70110.4D519 E521 G665 D666 F667D519-K663 IonicContact OD2-NZ 3.4Å; E521-K663 WeakPolarHBondContact OE1-CA 3.48Å; E521-K663 WeakPolarHBondContact OE1-CB 3.48Å; E521-K663 WeakPolarHBondContact OE2-CB 3.45Å; E521-K663 WeakPolarHBondContact OE2-CD 3.22Å; E521-K663 WeakPolarHBondContact OE2-CG 3.28Å; K663-G665 PolarHBondContact O-N 2.94Å; K663-D666 WeakPolarHBondContact CB-OD2 3.19Å; K663-D666 PolarHBondContact N-OD2 2.9Å; K663-D666 WeakPolarHBondContact O-CB 3.39Å; K663-D666 PolarHBondContact O-N 2.84Å; K663-D666 VanDerWaalsContact O-N 3.12Å; K663-F667 WeakPolarHBondContact O-CD2 3.37Å
664I92.3Very high91.7Very high0 Ų043.9 Ų43.90%026%0.256CS..Hα-helixtrans-59.1-37.7178.6-62.4-178.7000110.9A501 L503 E521 F529 V531 M568 V577 L619 V621 D666 F667A501-I664 HydrophobicContact CB-CG1 3.66Å; L503-I664 HydrophobicContact CD1-CD1 4.11Å; L503-I664 HydrophobicContact CD2-CD1 4.24Å; L503-I664 HydrophobicContact CD2-CG1 4.48Å; E521-I664 PolarHBondContact OE1-N 3.34Å; F529-I664 HydrophobicContact CB-CG2 3.98Å; F529-I664 HydrophobicContact CD1-CG2 3.71Å; F529-I664 HydrophobicContact CD2-CB 3.86Å; F529-I664 HydrophobicContact CD2-CG2 3.61Å; F529-I664 HydrophobicContact CE1-CG2 4.15Å; F529-I664 HydrophobicContact CE2-CB 4.28Å; F529-I664 HydrophobicContact CE2-CG2 4.07Å; F529-I664 HydrophobicContact CG-CB 4.18Å; F529-I664 HydrophobicContact CG-CG2 3.45Å; F529-I664 VanDerWaalsContact CG-CG2 3.45Å; F529-I664 HydrophobicContact CZ-CG2 4.34Å; V531-I664 HydrophobicContact CG2-CD1 3.87Å; M568-I664 HydrophobicContact CE-CG2 3.95Å; V577-I664 HydrophobicContact CG2-CG2 4.05Å; L619-I664 HydrophobicContact CD2-CG2 4.36Å; V621-I664 HydrophobicContact CG1-CD1 4.33Å; V621-I664 HydrophobicContact CG2-CD1 4.27Å; I664-D666 VanDerWaalsContact C-N 3.33Å; I664-D666 PolarHBondContact O-N 2.74Å; I664-F667 PolarHBondContact O-N 3.45Å
665G90Very high91.8Very high39 Ų3949.1 Ų49.140%0.40228%0.278SS..Hα-helixtrans-61.6-33.8177.100000114.9K663 F667K663-G665 PolarHBondContact O-N 2.94Å; G665-F667 PolarHBondContact O-N 3.21Å
666D91.1Very high92.1Very high99 Ų9946.3 Ų46.353%0.52926%0.258SS..Hα-helixtrans-67.2-22.4-178.2-56.4-28.9000112.1K663 I664K663-D666 WeakPolarHBondContact CB-OD2 3.19Å; K663-D666 PolarHBondContact N-OD2 2.9Å; K663-D666 WeakPolarHBondContact O-CB 3.39Å; K663-D666 PolarHBondContact O-N 2.84Å; K663-D666 VanDerWaalsContact O-N 3.12Å; I664-D666 VanDerWaalsContact C-N 3.33Å; I664-D666 PolarHBondContact O-N 2.74Å
667F94.1Very high92.1Very high11 Ų1147.5 Ų47.55%0.04826%0.258CS..Hα-helixtrans-101.8-14.3-170.2-60.3-40.8000114.7Q499 M568 L619 V660 K663 I664 G665 T669 T670 S671Q499-F667 HydrophobicContact CB-CD1 4.2Å; Q499-F667 HydrophobicContact CB-CD2 3.99Å; Q499-F667 HydrophobicContact CB-CE1 4.21Å; Q499-F667 HydrophobicContact CB-CE2 4.01Å; Q499-F667 HydrophobicContact CB-CG 4.06Å; Q499-F667 HydrophobicContact CB-CZ 4.09Å; Q499-F667 HydrophobicContact CG-CD1 4.13Å; Q499-F667 HydrophobicContact CG-CE1 4.27Å; Q499-F667 HydrophobicContact CG-CG 4.35Å; M568-F667 HydrophobicContact CE-CB 4.33Å; L619-F667 HydrophobicContact CD1-CD2 3.59Å; L619-F667 HydrophobicContact CD1-CE2 4.02Å; L619-F667 HydrophobicContact CD2-CB 4.49Å; L619-F667 HydrophobicContact CD2-CD2 4.43Å; V660-F667 HydrophobicContact CB-CE1 4.48Å; V660-F667 HydrophobicContact CG1-CE1 3.83Å; V660-F667 HydrophobicContact CG1-CZ 4.1Å; V660-F667 WeakPolarHBondContact O-CZ 3.44Å; K663-F667 WeakPolarHBondContact O-CD2 3.37Å; I664-F667 PolarHBondContact O-N 3.45Å; G665-F667 PolarHBondContact O-N 3.21Å; F667-T669 PolarHBondContact O-N 3.16Å; F667-T670 CarbonylContact O-C 3.53Å; F667-T670 PolarHBondContact O-N 2.78Å; F667-T670 PolarHBondContact O-OG1 3.31Å; F667-T670 VanDerWaalsContact O-OG1 3.05Å; F667-S671 WeakPolarHBondContact CB-OG 3.43Å; F667-S671 PolarHBondContact O-N 3.42Å; F667-S671 PolarHBondContact O-OG 2.88Å; F667-S671 VanDerWaalsContact O-OG 3.14Å
668V92.3Very high91.8Very high37 Ų3748.5 Ų48.522%0.22426%0.262CS..THydrogen-bonded Turntrans-51.8-38-174.3-176.20000113.5F529 M568 I575 T670 I673F529-V668 HydrophobicContact CE1-CG2 3.47Å; F529-V668 VanDerWaalsContact CE1-CG2 3.47Å; F529-V668 HydrophobicContact CZ-CG2 3.51Å; M568-V668 HydrophobicContact CE-CB 4.41Å; M568-V668 HydrophobicContact CE-CG2 3.88Å; M568-V668 HydrophobicContact SD-CB 4.33Å; M568-V668 HydrophobicContact SD-CG1 4.39Å; M568-V668 HydrophobicContact SD-CG2 4.09Å; I575-V668 HydrophobicContact CD1-CG1 4.15Å; V668-T670 PolarHBondContact O-N 2.94Å; V668-I673 HydrophobicContact CG1-CD1 4.3Å; V668-I673 WeakPolarHBondContact O-CD1 3.43Å
669T91.9Very high91.2Very high132 Ų13242.8 Ų42.881%0.8124%0.241SC*.THydrogen-bonded Turntrans-74.8-7.2-179.554.90000114.5F667F667-T669 PolarHBondContact O-N 3.16Å
670T93.7Very high89.9Confident54 Ų5444 Ų4433%0.33125%0.25SC..THydrogen-bonded Turntrans-133.9-18.5-172.453.50000114.5Q499 R617 F667 V668Q499-T670 PolarHBondContact NE2-OG1 3.33Å; R617-T670 PolarHBondContact N-O 3.03Å; F667-T670 CarbonylContact O-C 3.53Å; F667-T670 PolarHBondContact O-N 2.78Å; F667-T670 PolarHBondContact O-OG1 3.31Å; F667-T670 VanDerWaalsContact O-OG1 3.05Å; V668-T670 PolarHBondContact O-N 2.94Å
671S94.1Very high88.1Confident10 Ų1048 Ų487%0.0727%0.274CS..BIsolated β-bridgetrans-69.4155.9174.7-68.10000112.6Q499 R617 F667 I673Q499-S671 PolarHBondContact OE1-OG 3Å; R617-S671 CarbonylContact O-C 3.56Å; R617-S671 WeakPolarHBondContact O-CA 3.44Å; F667-S671 WeakPolarHBondContact CB-OG 3.43Å; F667-S671 PolarHBondContact O-N 3.42Å; F667-S671 PolarHBondContact O-OG 2.88Å; F667-S671 VanDerWaalsContact O-OG 3.14Å; S671-I673 PolarHBondContact O-N 3.37Å
672C93Very high86.6Confident8 Ų848.2 Ų48.25%0.05428%0.276CS..  trans-69.1124.3166.3-1770000110.3K567 M568 W612 V614 P615 R617K567-C672 HydrophobicContact CG-CB 4.33Å; M568-C672 PolarHBondContact N-O 2.89Å; W612-C672 HydrophobicContact CH2-CB 4.37Å; W612-C672 HydrophobicContact CZ2-CB 3.67Å; V614-C672 WeakPolarHBondContact CG1-SG 3.34Å; P615-C672 VanDerWaalsContact O-CB 3.31Å; P615-C672 WeakPolarHBondContact O-CB 3.39Å; P615-C672 PolarHBondContact O-SG 2.94Å; R617-C672 PolarHBondContact O-N 2.97Å
673I93.3Very high85.3Confident68 Ų6855.4 Ų55.435%0.34930%0.304SS..EExtended strand (participates in β ladder)trans-116.4125.7178.3-65164.5000109.4M568 I570 V668 S671M568-I673 HydrophobicContact CB-CG1 3.87Å; M568-I673 CarbonylContact O-C 3.56Å; M568-I673 WeakPolarHBondContact O-CA 3.26Å; M568-I673 HydrophobicContact SD-CG1 4.31Å; I570-I673 HydrophobicContact CD1-CG2 3.6Å; I570-I673 HydrophobicContact CG1-CG2 3.85Å; V668-I673 HydrophobicContact CG1-CD1 4.3Å; V668-I673 WeakPolarHBondContact O-CD1 3.43Å; S671-I673 PolarHBondContact O-N 3.37Å
674T91.6Very high84.3Confident28 Ų2853.5 Ų53.517%0.17230%0.298CS..EExtended strand (participates in β ladder)trans-112.1139.8172.4-590000109.9M568 Y569 I570 L676M568-T674 PolarHBondContact O-N 3.11Å; Y569-T674 CarbonylContact C-O 3.59Å; Y569-T674 VanDerWaalsContact CA-O 3.23Å; Y569-T674 WeakPolarHBondContact CA-O 3.4Å; Y569-T674 HydrophobicContact CD1-CG2 4.06Å; Y569-T674 HydrophobicContact CE1-CG2 3.87Å; I570-T674 PolarHBondContact N-O 3.23Å; T674-L676 HydrophobicContact CG2-CD2 4.22Å
675K89.9Confident83.7Confident119 Ų11953.7 Ų53.752%0.51730%0.299SS..EExtended strand (participates in β ladder)trans-101.4136.7175.2-51-168.9-176.1179.70110.5H287 I570 H677H287-K675 PolarHBondContact CE1-O 3.3Å; H287-K675 VanDerWaalsContact CE1-O 3.23Å; I570-K675 HydrophobicContact CB-CG 4.24Å; K675-H677 VanDerWaalsContact CB-CD2 3.48Å; K675-H677 WeakPolarHBondContact CB-CD2 3.26Å; K675-H677 VanDerWaalsContact CD-NE2 3.27Å; K675-H677 WeakPolarHBondContact CD-NE2 3.49Å
676L88.8Confident83.3Confident1 Ų154 Ų541%0.00529%0.292CS..  trans-113.160-177-55.9178.8000111.2L537 M540 Y541 Y569 I570 V571 T674 F678 L679L537-L676 HydrophobicContact CD1-CD1 4.37Å; M540-L676 HydrophobicContact SD-CD1 4.49Å; Y541-L676 HydrophobicContact CE2-CD2 3.98Å; Y569-L676 HydrophobicContact CD1-CD1 3.63Å; Y569-L676 HydrophobicContact CD1-CD2 3.77Å; Y569-L676 HydrophobicContact CD1-CG 3.7Å; Y569-L676 HydrophobicContact CE1-CD1 4.32Å; Y569-L676 HydrophobicContact CE1-CD2 3.99Å; Y569-L676 HydrophobicContact CE1-CG 4.4Å; Y569-L676 HydrophobicContact CG-CD1 4.17Å; I570-L676 PolarHBondContact O-N 2.9Å; V571-L676 HydrophobicContact CG2-CB 4.31Å; V571-L676 HydrophobicContact CG2-CD1 4.31Å; T674-L676 HydrophobicContact CG2-CD2 4.22Å; L676-F678 HydrophobicContact CB-CE1 4.02Å; L676-F678 HydrophobicContact CB-CZ 4.3Å; L676-F678 HydrophobicContact CD2-CE1 3.7Å; L676-F678 HydrophobicContact CD2-CZ 4.01Å; L676-F678 HydrophobicContact CG-CE1 4.44Å; L676-F678 PolarHBondContact O-N 2.75Å; L676-L679 HydrophobicContact CB-CD1 3.9Å; L676-L679 HydrophobicContact CB-CG 4.32Å; L676-L679 HydrophobicContact CD1-CD1 4.08Å; L676-L679 WeakPolarHBondContact O-CB 3.37Å; L676-L679 PolarHBondContact O-N 2.79Å; L676-L679 VanDerWaalsContact O-N 3.17Å
677H83.9Confident82.8Confident50 Ų5053.5 Ų53.523%0.23129%0.294CS..G310 helixtrans-66.9-21.3-173.6-72.9-78000114.4P282 K675 L679 S680P282-H677 HydrophobicContact CB-CB 3.36Å; P282-H677 VanDerWaalsContact CB-CD2 3.48Å; P282-H677 WeakPolarHBondContact CB-CD2 3.47Å; K675-H677 VanDerWaalsContact CB-CD2 3.48Å; K675-H677 WeakPolarHBondContact CB-CD2 3.26Å; K675-H677 VanDerWaalsContact CD-NE2 3.27Å; K675-H677 WeakPolarHBondContact CD-NE2 3.49Å; H677-L679 PolarHBondContact O-N 3.41Å; H677-S680 PolarHBondContact O-N 2.98Å; H677-S680 PolarHBondContact O-OG 3.32Å
678F83.5Confident82.3Confident21 Ų2159 Ų599%0.09232%0.32CS..G310 helixtrans-63.6-8.6172.466-94.7000114.3H287 Q543 L544 L676 V685H287-F678 AromaticContact CD2-CD1 3.71Å; H287-F678 AromaticContact CD2-CE1 3.73Å; H287-F678 AromaticContact NE2-CD1 3.66Å; H287-F678 AromaticContact NE2-CE1 3.86Å; Q543-F678 HydrophobicContact CB-CE2 4.45Å; L544-F678 HydrophobicContact CB-CD2 4.32Å; L544-F678 HydrophobicContact CB-CE2 3.96Å; L544-F678 HydrophobicContact CB-CZ 4.16Å; L544-F678 HydrophobicContact CD1-CD1 3.77Å; L544-F678 HydrophobicContact CD1-CD2 4.24Å; L544-F678 HydrophobicContact CD1-CE1 3.93Å; L544-F678 HydrophobicContact CD1-CE2 4.38Å; L544-F678 HydrophobicContact CD1-CG 3.94Å; L544-F678 HydrophobicContact CD1-CZ 4.23Å; L676-F678 HydrophobicContact CB-CE1 4.02Å; L676-F678 HydrophobicContact CB-CZ 4.3Å; L676-F678 HydrophobicContact CD2-CE1 3.7Å; L676-F678 HydrophobicContact CD2-CZ 4.01Å; L676-F678 HydrophobicContact CG-CE1 4.44Å; L676-F678 PolarHBondContact O-N 2.75Å; F678-V685 WeakPolarHBondContact O-CG2 3.19Å
679L82.4Confident81.9Confident10 Ų1057.7 Ų57.75%0.05231%0.311CS..G310 helixtrans-89.9-19.8172.8-61.8176.6000113.3M540 Q543 V571 L676 H677 L693M540-L679 HydrophobicContact CB-CD1 4.04Å; M540-L679 HydrophobicContact CG-CD1 3.95Å; M540-L679 HydrophobicContact SD-CD1 4.42Å; Q543-L679 HydrophobicContact CB-CD2 4.07Å; Q543-L679 HydrophobicContact CG-CD2 4Å; V571-L679 HydrophobicContact CG1-CB 4.09Å; V571-L679 HydrophobicContact CG1-CD1 4.25Å; V571-L679 HydrophobicContact CG2-CD1 4.1Å; L676-L679 HydrophobicContact CB-CD1 3.9Å; L676-L679 HydrophobicContact CB-CG 4.32Å; L676-L679 HydrophobicContact CD1-CD1 4.08Å; L676-L679 WeakPolarHBondContact O-CB 3.37Å; L676-L679 PolarHBondContact O-N 2.79Å; L676-L679 VanDerWaalsContact O-N 3.17Å; H677-L679 PolarHBondContact O-N 3.41Å; L679-L693 HydrophobicContact CB-CD1 4.05Å; L679-L693 HydrophobicContact CD1-CD1 4.22Å; L679-L693 HydrophobicContact CD2-CD1 4.2Å; L679-L693 HydrophobicContact CG-CD1 4.4Å
680S68.1Low81.5Confident28 Ų2856 Ų5620%0.19629%0.29CS..SBendtrans-91.3107.7-177.545.70000111.7H677H677-S680 PolarHBondContact O-N 2.98Å; H677-S680 PolarHBondContact O-OG 3.32Å
681V57Low81Confident143 Ų14358.6 Ų58.687%0.86731%0.305SS*.SBendtrans61.147167.5-154.60000115.4
682D62.4Low80.6Confident42 Ų4261 Ų6123%0.22531%0.314CS..  trans-109.8136.4168-170.1-31.9000111.1N684 V685 R690D682-N684 PolarHBondContact O-N 3.3Å; D682-N684 WeakPolarHBondContact OD1-CB 3.41Å; D682-N684 PolarHBondContact OD1-N 3.27Å; D682-N684 PolarHBondContact OD1-ND2 2.77Å; D682-V685 HydrophobicContact CB-CG2 4.14Å; D682-V685 PolarHBondContact O-N 3.08Å; D682-R690 VanDerWaalsContact O-CZ 3.26Å; D682-R690 PolarHBondContact O-NH1 2.87Å
683E64.7Low80.1Confident173 Ų17360.9 Ų60.981%0.80831%0.313SS*.THydrogen-bonded Turntrans-66.1-17.2176.4-68.6-166.8156.900114R690E683-R690 VanDerWaalsContact C-NH2 3.32Å; E683-R690 PolarHBondContact O-NH2 2.91Å
684N71.9Confident79.5Confident50 Ų5060.3 Ų60.327%0.26732%0.316SS..THydrogen-bonded Turntrans-84.4-14179.9-63.4-89.1000114R546 A548 D682R546-N684 HydrophobicContact CB-CB 4.01Å; R546-N684 WeakPolarHBondContact CD-O 3.42Å; A548-N684 PolarHBondContact N-OD1 3.33Å; A548-N684 VanDerWaalsContact N-OD1 3.12Å; D682-N684 PolarHBondContact O-N 3.3Å; D682-N684 WeakPolarHBondContact OD1-CB 3.41Å; D682-N684 PolarHBondContact OD1-N 3.27Å; D682-N684 PolarHBondContact OD1-ND2 2.77Å
685V78.7Confident79Confident4 Ų461.3 Ų61.32%0.02433%0.331CS..SBendtrans-71.3140.1-179.8-179.60000110.9Q543 F678 D682 M689 R690Q543-V685 HydrophobicContact CB-CG1 4.4Å; Q543-V685 HydrophobicContact CG-CG1 4.05Å; F678-V685 WeakPolarHBondContact O-CG2 3.19Å; D682-V685 HydrophobicContact CB-CG2 4.14Å; D682-V685 PolarHBondContact O-N 3.08Å; V685-M689 HydrophobicContact CG1-CB 4.27Å; V685-M689 HydrophobicContact CG1-CG 4.21Å; V685-R690 HydrophobicContact CB-CG 3.97Å; V685-R690 HydrophobicContact CG1-CG 3.7Å; V685-R690 VanDerWaalsContact O-CZ 3.23Å; V685-R690 PolarHBondContact O-NE 3.21Å; V685-R690 PolarHBondContact O-NH2 3.16Å
686D81.7Confident78.5Confident47 Ų4756.6 Ų56.625%0.25131%0.311SS..  trans-55134.9-179.5-154.294.6000113.7Q543 R546 E688 M689 R690Q543-D686 VanDerWaalsContact OE1-CB 3.24Å; R546-D686 IonicContact CZ-OD1 2.73Å; R546-D686 IonicContact NH1-OD1 3.09Å; R546-D686 PolarHBondContact NH1-OD1 3.31Å; R546-D686 IonicContact NH2-OD1 3.26Å; R546-D686 PolarHBondContact NH2-OD1 3.14Å; R546-D686 VanDerWaalsContact NH2-OD1 3.11Å; D686-E688 VanDerWaalsContact C-N 3.34Å; D686-E688 PolarHBondContact O-N 2.95Å; D686-E688 PolarHBondContact OD2-N 3.21Å; D686-E688 VanDerWaalsContact OD2-N 3.07Å; D686-M689 HydrophobicContact CB-CB 3.94Å; D686-M689 WeakPolarHBondContact O-CB 3.21Å; D686-M689 PolarHBondContact O-N 2.91Å; D686-M689 VanDerWaalsContact O-N 3.14Å; D686-R690 PolarHBondContact O-N 3.33Å
687P81.7Confident78Confident88 Ų8857.4 Ų57.457%0.57132%0.316SS*.Hα-helixtrans-58.2-38.2176.7-26.536000114.3M689 R690 V691P687-M689 VanDerWaalsContact C-N 3.31Å; P687-M689 PolarHBondContact O-N 3.11Å; P687-R690 PolarHBondContact O-N 2.67Å; P687-V691 WeakPolarHBondContact O-CG2 3.48Å; P687-V691 PolarHBondContact O-N 2.65Å
688E83.8Confident77.5Confident127 Ų12761.9 Ų61.959%0.59334%0.336SS*.Hα-helixtrans-63.6-41.8176.3-172.4-171.2132.900109.9R539 D686 V691 F692R539-E688 IonicContact NH1-OE1 3.8Å; R539-E688 PolarHBondContact NH1-OE1 3.18Å; D686-E688 VanDerWaalsContact C-N 3.34Å; D686-E688 PolarHBondContact O-N 2.95Å; D686-E688 PolarHBondContact OD2-N 3.21Å; D686-E688 VanDerWaalsContact OD2-N 3.07Å; E688-V691 PolarHBondContact O-N 2.92Å; E688-F692 WeakPolarHBondContact O-CB 3.45Å; E688-F692 PolarHBondContact O-N 3.22Å
689M84.5Confident76.6Confident8 Ų861.8 Ų61.84%0.03934%0.341CS..Hα-helixtrans-66.5-41.6177.5-173.652.652.100112.1R539 M540 Q543 V685 D686 P687 V691 F692 L693R539-M689 HydrophobicContact CB-CE 3.52Å; M540-M689 HydrophobicContact CG-SD 4.37Å; Q543-M689 HydrophobicContact CG-CG 4.02Å; V685-M689 HydrophobicContact CG1-CB 4.27Å; V685-M689 HydrophobicContact CG1-CG 4.21Å; D686-M689 HydrophobicContact CB-CB 3.94Å; D686-M689 WeakPolarHBondContact O-CB 3.21Å; D686-M689 PolarHBondContact O-N 2.91Å; D686-M689 VanDerWaalsContact O-N 3.14Å; P687-M689 VanDerWaalsContact C-N 3.31Å; P687-M689 PolarHBondContact O-N 3.11Å; M689-V691 PolarHBondContact O-N 3.24Å; M689-F692 PolarHBondContact O-N 3.16Å; M689-F692 HydrophobicContact SD-CD1 3.97Å; M689-L693 HydrophobicContact CG-CD1 3.81Å; M689-L693 HydrophobicContact CG-CG 4.18Å; M689-L693 WeakPolarHBondContact O-CB 3.43Å; M689-L693 VanDerWaalsContact O-CG 3.27Å; M689-L693 WeakPolarHBondContact O-CG 3.41Å; M689-L693 PolarHBondContact O-N 2.86Å; M689-L693 HydrophobicContact SD-CD1 3.9Å; M689-L693 HydrophobicContact SD-CD2 4.16Å; M689-L693 HydrophobicContact SD-CG 3.73Å
690R81.7Confident75.3Confident97 Ų9767 Ų6737%0.36638%0.376SS..Hα-helixtrans-63.7-38.2176.1-75.8-168.1-102.4-178.5-5.2112.6D682 E683 V685 D686 P687 S694D682-R690 VanDerWaalsContact O-CZ 3.26Å; D682-R690 PolarHBondContact O-NH1 2.87Å; E683-R690 VanDerWaalsContact C-NH2 3.32Å; E683-R690 PolarHBondContact O-NH2 2.91Å; V685-R690 HydrophobicContact CB-CG 3.97Å; V685-R690 HydrophobicContact CG1-CG 3.7Å; V685-R690 VanDerWaalsContact O-CZ 3.23Å; V685-R690 PolarHBondContact O-NE 3.21Å; V685-R690 PolarHBondContact O-NH2 3.16Å; D686-R690 PolarHBondContact O-N 3.33Å; P687-R690 PolarHBondContact O-N 2.67Å; R690-S694 VanDerWaalsContact O-CB 3.28Å; R690-S694 WeakPolarHBondContact O-CB 3.46Å; R690-S694 PolarHBondContact O-N 3.07Å; R690-S694 PolarHBondContact O-OG 2.77Å
691V84.6Confident74.3Confident108 Ų10871.9 Ų71.966%0.65540%0.396SS*.Hα-helixtrans-68.8-41.8175172.90000111.2P687 E688 M689 S694 G695P687-V691 WeakPolarHBondContact O-CG2 3.48Å; P687-V691 PolarHBondContact O-N 2.65Å; E688-V691 PolarHBondContact O-N 2.92Å; M689-V691 PolarHBondContact O-N 3.24Å; V691-S694 PolarHBondContact O-OG 3.2Å; V691-G695 PolarHBondContact O-N 2.8Å
692F84.4Confident73.7Confident60 Ų6075.7 Ų75.726%0.26340%0.395SS..Hα-helixtrans-62.6-47.8175.4174.9-98000112.6I536 E688 M689 G695 I696 L707I536-F692 HydrophobicContact CD1-CZ 4.12Å; I536-F692 HydrophobicContact CG1-CZ 4.38Å; I536-F692 HydrophobicContact CG2-CE1 3.55Å; I536-F692 HydrophobicContact CG2-CZ 3.84Å; E688-F692 WeakPolarHBondContact O-CB 3.45Å; E688-F692 PolarHBondContact O-N 3.22Å; M689-F692 PolarHBondContact O-N 3.16Å; M689-F692 HydrophobicContact SD-CD1 3.97Å; F692-G695 PolarHBondContact O-N 2.8Å; F692-I696 HydrophobicContact CD1-CD1 4.22Å; F692-I696 HydrophobicContact CD2-CD1 4.48Å; F692-I696 HydrophobicContact CE1-CD1 3.61Å; F692-I696 HydrophobicContact CE2-CD1 3.92Å; F692-I696 HydrophobicContact CZ-CD1 3.44Å; F692-I696 VanDerWaalsContact CZ-CD1 3.44Å; F692-I696 PolarHBondContact O-N 2.73Å; F692-L707 HydrophobicContact CE2-CD1 4.2Å
693L82.4Confident72.7Confident6 Ų676.8 Ų76.83%0.03140%0.404CS..Hα-helixtrans-67.6-44.2179.6-68.7175.4000112M540 L679 M689 G695 I696 L697M540-L693 HydrophobicContact CE-CD2 3.61Å; L679-L693 HydrophobicContact CB-CD1 4.05Å; L679-L693 HydrophobicContact CD1-CD1 4.22Å; L679-L693 HydrophobicContact CD2-CD1 4.2Å; L679-L693 HydrophobicContact CG-CD1 4.4Å; M689-L693 HydrophobicContact CG-CD1 3.81Å; M689-L693 HydrophobicContact CG-CG 4.18Å; M689-L693 WeakPolarHBondContact O-CB 3.43Å; M689-L693 VanDerWaalsContact O-CG 3.27Å; M689-L693 WeakPolarHBondContact O-CG 3.41Å; M689-L693 PolarHBondContact O-N 2.86Å; M689-L693 HydrophobicContact SD-CD1 3.9Å; M689-L693 HydrophobicContact SD-CD2 4.16Å; M689-L693 HydrophobicContact SD-CG 3.73Å; L693-G695 VanDerWaalsContact C-N 3.32Å; L693-G695 PolarHBondContact O-N 3.48Å; L693-I696 PolarHBondContact O-N 2.75Å; L693-I696 VanDerWaalsContact O-N 3.13Å; L693-L697 HydrophobicContact CB-CD1 4.15Å; L693-L697 VanDerWaalsContact O-CB 3.31Å; L693-L697 WeakPolarHBondContact O-CB 3.39Å; L693-L697 WeakPolarHBondContact O-CD1 3.5Å; L693-L697 VanDerWaalsContact O-CG 3.27Å; L693-L697 WeakPolarHBondContact O-CG 3.4Å; L693-L697 PolarHBondContact O-N 3.12Å
694S81.2Confident71.3Confident57 Ų5771.6 Ų71.640%0.39939%0.391SS..Hα-helixtrans-63.2-38.3177.4600000111.8R690 V691 I696 L697 H698R690-S694 VanDerWaalsContact O-CB 3.28Å; R690-S694 WeakPolarHBondContact O-CB 3.46Å; R690-S694 PolarHBondContact O-N 3.07Å; R690-S694 PolarHBondContact O-OG 2.77Å; V691-S694 PolarHBondContact O-OG 3.2Å; S694-I696 VanDerWaalsContact C-N 3.29Å; S694-I696 PolarHBondContact O-N 3.39Å; S694-L697 PolarHBondContact O-N 3.07Å; S694-H698 WeakPolarHBondContact O-CA 3.23Å; S694-H698 VanDerWaalsContact O-CB 3.32Å; S694-H698 WeakPolarHBondContact O-CB 3.36Å; S694-H698 PolarHBondContact O-N 2.74Å
695G81.5Confident69.9Low49 Ų4971.5 Ų71.551%0.50539%0.39SS..Hα-helixtrans-58.6-34.9172.400000114.3V691 F692 L693 G699V691-G695 PolarHBondContact O-N 2.8Å; F692-G695 PolarHBondContact O-N 2.8Å; L693-G695 VanDerWaalsContact C-N 3.32Å; L693-G695 PolarHBondContact O-N 3.48Å; G695-G699 WeakPolarHBondContact O-CA 3.46Å; G695-G699 PolarHBondContact O-N 3.36Å
696I78.9Confident68Low19 Ų1976.5 Ų76.510%0.09742%0.42CS..Hα-helixtrans-82.4-42.6177-68.3173.9000112V530 L532 R574 F576 F692 L693 S694V530-I696 HydrophobicContact CG1-CG2 3.83Å; V530-I696 HydrophobicContact CG2-CG2 4.27Å; L532-I696 HydrophobicContact CD1-CD1 4.3Å; R574-I696 PolarHBondContact NE-O 3.13Å; R574-I696 PolarHBondContact NH2-O 2.9Å; R574-I696 VanDerWaalsContact NH2-O 3.16Å; F576-I696 HydrophobicContact CE1-CG2 3.88Å; F576-I696 HydrophobicContact CZ-CG2 3.87Å; F692-I696 HydrophobicContact CD1-CD1 4.22Å; F692-I696 HydrophobicContact CD2-CD1 4.48Å; F692-I696 HydrophobicContact CE1-CD1 3.61Å; F692-I696 HydrophobicContact CE2-CD1 3.92Å; F692-I696 HydrophobicContact CZ-CD1 3.44Å; F692-I696 VanDerWaalsContact CZ-CD1 3.44Å; F692-I696 PolarHBondContact O-N 2.73Å; L693-I696 PolarHBondContact O-N 2.75Å; L693-I696 VanDerWaalsContact O-N 3.13Å; S694-I696 VanDerWaalsContact C-N 3.29Å; S694-I696 PolarHBondContact O-N 3.39Å
697L78.4Confident65.9Low19 Ų1979.7 Ų79.710%0.09944%0.437CS..Hα-helixtrans-75.9-44.1-174-70.4164.1000111.9V571 E572 R574 F576 L693 S694V571-L697 HydrophobicContact CG1-CD1 4.17Å; E572-L697 HydrophobicContact CG-CD1 4.49Å; R574-L697 HydrophobicContact CB-CD2 4.05Å; R574-L697 HydrophobicContact CG-CD2 4.05Å; R574-L697 PolarHBondContact NE-O 2.87Å; R574-L697 VanDerWaalsContact NE-O 3.15Å; R574-L697 PolarHBondContact NH2-O 3.02Å; F576-L697 HydrophobicContact CE2-CD2 4.02Å; F576-L697 HydrophobicContact CZ-CD2 4.07Å; L693-L697 HydrophobicContact CB-CD1 4.15Å; L693-L697 VanDerWaalsContact O-CB 3.31Å; L693-L697 WeakPolarHBondContact O-CB 3.39Å; L693-L697 WeakPolarHBondContact O-CD1 3.5Å; L693-L697 VanDerWaalsContact O-CG 3.27Å; L693-L697 WeakPolarHBondContact O-CG 3.4Å; L693-L697 PolarHBondContact O-N 3.12Å; S694-L697 PolarHBondContact O-N 3.07Å
698H73.7Confident63.6Low143 Ų14379.9 Ų79.966%0.66243%0.433SS*.THydrogen-bonded Turntrans-105.9-11.8-172.5-61.961.9000113.4E572 S694E572-H698 IonicContact OE2-CE1 3.46Å; S694-H698 WeakPolarHBondContact O-CA 3.23Å; S694-H698 VanDerWaalsContact O-CB 3.32Å; S694-H698 WeakPolarHBondContact O-CB 3.36Å; S694-H698 PolarHBondContact O-N 2.74Å
699G64.6Low61.2Low19 Ų1980.4 Ų80.420%0.19644%0.435CS..SBendtrans-66.9157.9171.600000112.7R574 G695R574-G699 PolarHBondContact NH2-O 3.34Å; G695-G699 WeakPolarHBondContact O-CA 3.46Å; G695-G699 PolarHBondContact O-N 3.36Å
700P54.4Low58.7Low121 Ų12188.6 Ų88.679%0.78647%0.465SS*.  trans-55.4156.6168.926.8-35000110.3R702P700-R702 PolarHBondContact O-N 3.19Å
701Q49Very low56.1Low129 Ų12995.8 Ų95.860%0.60349%0.492SS*.SBendtrans-68.956.5-171.6-67.7176.8-69.700114.9D527D527-Q701 PolarHBondContact OD1-NE2 3.5Å; D527-Q701 PolarHBondContact OD2-NE2 2.85Å
702R43.3Very low53.3Low224 Ų224100.4 Ų100.485%0.84550%0.504SS*.  trans-144.179.4168.3-68.1-171.6178177.8-0.7108.7P700 A704P700-R702 PolarHBondContact O-N 3.19Å; R702-A704 PolarHBondContact O-N 2.79Å
703P41.1Very low50.6Low64 Ų64102.6 Ų102.642%0.41653%0.526SS..  trans-64.479.5152.931.1-32.9000107.4L705P703-L705 PolarHBondContact O-N 3.33Å
704A36Very low48Very low65 Ų65108.5 Ų108.554%0.53756%0.562SS.*  trans-57.1136.1173.100000108R702 V706R702-A704 PolarHBondContact O-N 2.79Å; A704-V706 HydrophobicContact CB-CG2 4.03Å; A704-V706 PolarHBondContact O-N 3.43Å
705L42.4Very low45.5Very low48 Ų48110.3 Ų110.325%0.25158%0.575SS.*  trans-73.457.9-177.7-76.3164.5000111.9V523 P703 L707 L708 Q709V523-L705 HydrophobicContact CG1-CD1 4.12Å; P703-L705 PolarHBondContact O-N 3.33Å; L705-L707 PolarHBondContact O-N 2.91Å; L705-L708 HydrophobicContact CB-CB 4.31Å; L705-L708 HydrophobicContact CD1-CD1 4.27Å; L705-L708 HydrophobicContact CD2-CD1 4.18Å; L705-L708 HydrophobicContact CD2-CG 4.5Å; L705-L708 PolarHBondContact O-N 3.15Å; L705-Q709 WeakPolarHBondContact O-CB 3.48Å; L705-Q709 PolarHBondContact O-N 2.85Å
706V39.5Very low42.8Very low108 Ų108116.4 Ų116.466%0.65559%0.591SS**THydrogen-bonded Turntrans-66.2-4176.6-174.60000112A704A704-V706 HydrophobicContact CB-CG2 4.03Å; A704-V706 PolarHBondContact O-N 3.43Å
707L37Very low40.4Very low115 Ų115124.6 Ų124.660%0.60263%0.628SS**THydrogen-bonded Turntrans-100.4-15.4170.9-76.7166000114.6I536 F692 L705I536-L707 HydrophobicContact CD1-CD1 4.07Å; F692-L707 HydrophobicContact CE2-CD1 4.2Å; L705-L707 PolarHBondContact O-N 2.91Å
708L33.6Very low38.1Very low92 Ų92131.8 Ų131.848%0.48266%0.661SS.*THydrogen-bonded Turntrans-101.7-31.9167.1-70.1178.2000111.7L705 R710L705-L708 HydrophobicContact CB-CB 4.31Å; L705-L708 HydrophobicContact CD1-CD1 4.27Å; L705-L708 HydrophobicContact CD2-CD1 4.18Å; L705-L708 HydrophobicContact CD2-CG 4.5Å; L705-L708 PolarHBondContact O-N 3.15Å; L708-R710 PolarHBondContact O-N 2.88Å
709Q33.1Very low35.8Very low137 Ų137128.8 Ų128.864%0.6466%0.661SS**SBendtrans-68.1119.6168.5-67.3-169.7-3.800110L705 R711L705-Q709 WeakPolarHBondContact O-CB 3.48Å; L705-Q709 PolarHBondContact O-N 2.85Å; Q709-R711 PolarHBondContact O-N 2.76Å
710R32.5Very low34Very low180 Ų180135.5 Ų135.568%0.67969%0.691SS**  trans-33.8133.2171.6-78.9172.6157.4-177.9-11.1112.1L708 K712 E859L708-R710 PolarHBondContact O-N 2.88Å; R710-K712 VanDerWaalsContact C-N 3.34Å; R710-K712 PolarHBondContact O-N 2.77Å; R710-E859 IonicContact CZ-OE1 3.74Å; R710-E859 IonicContact CZ-OE2 3.06Å; R710-E859 IonicContact NE-OE1 2.69Å; R710-E859 IonicContact NH2-OE1 2.76Å; R710-E859 PolarHBondContact NH2-OE1 3.48Å; R710-E859 IonicContact NH2-OE2 3.27Å; R710-E859 PolarHBondContact NH2-OE2 3.45Å
711R25.9Very low32.7Very low248 Ų248134 Ų13494%0.93669%0.689SS**  trans-54.291.6167.9-84.6-176.6167.3-178.6-4.2111Q709 S713Q709-R711 PolarHBondContact O-N 2.76Å; R711-S713 PolarHBondContact O-N 2.85Å
712K26.2Very low31.5Very low205 Ų205133.9 Ų133.989%0.89169%0.69SS**  trans-72.1103.8161.2-76.1-173.6177.6179.20107.7R710 V714R710-K712 VanDerWaalsContact C-N 3.34Å; R710-K712 PolarHBondContact O-N 2.77Å; K712-V714 PolarHBondContact O-N 3.14Å; K712-V714 VanDerWaalsContact O-N 3.08Å
713S27.6Very low30.8Very low106 Ų106127.2 Ų127.274%0.74168%0.676SS**  trans-71.698.5178.854.30000111.6R711R711-S713 PolarHBondContact O-N 2.85Å
714V27.7Very low30.4Very low130 Ų130126.7 Ų126.779%0.78868%0.676SS**SBendtrans68.8148.2151.7-174.20000117.3K712K712-V714 PolarHBondContact O-N 3.14Å; K712-V714 VanDerWaalsContact O-N 3.08Å
715S28.5Very low30.6Very low95 Ų95130 Ų13066%0.66468%0.676SS**  trans55.8104.4173.253.80000116.9
716Q25.5Very low30.3Very low178 Ų178133.2 Ų133.283%0.83270%0.697SS**  trans-94.38-179.4-161.8165.3-16.300113.8
717E28.7Very low29.7Very low191 Ų191138.8 Ų138.889%0.89371%0.706SS**THydrogen-bonded Turntrans-87.8-0.7-176.9-66.6-176125.400114.7
718Q29.5Very low29.1Very low169 Ų169136.4 Ų136.479%0.7971%0.71SS**THydrogen-bonded Turntrans-111.826.4173.4-66-174.6-11.900112.5I720Q718-I720 PolarHBondContact O-N 3.37Å
719A25.5Very low28.8Very low80 Ų80140 Ų14066%0.66173%0.728SS**  trans-79.629-176.300000114.9
720I27.7Very low28.7Very low160 Ų160139.2 Ų139.282%0.82174%0.738SS**SBendtrans-110.8130.9168.5-60.4177.6000107.2Q718Q718-I720 PolarHBondContact O-N 3.37Å
721A26.5Very low28.4Very low89 Ų89139 Ų13974%0.73674%0.744SS**  trans62.971.2-174.700000115.9
722M24.4Very low28.4Very low128 Ų128138.8 Ų138.863%0.63174%0.744SS**  trans-114.192.8155.7-95.9-66.5-64.400110.2R845M722-R845 PolarHBondContact SD-NH1 3.4Å
723P28.7Very low28.4Very low84 Ų84136.5 Ų136.555%0.54574%0.736SS.*  trans-64.1149.7165.8-12.927.8000109.9
724A32.1Very low28.4Very low52 Ų52140.8 Ų140.843%0.4374%0.741SS.*  trans-72.7131.715500000107.1V726 R727A724-V726 CarbonylContact O-C 3.6Å; A724-V726 PolarHBondContact O-N 2.92Å; A724-R727 HydrophobicContact CB-CB 4.06Å; A724-R727 HydrophobicContact CB-CG 3.97Å
725Y40.5Very low28.3Very low136 Ų136139.9 Ų139.953%0.53374%0.74SS.*SBendtrans-59.6-31.5-167.3-70.7-92.1000113.9R845Y725-R845 VanDerWaalsContact CZ-CZ 3.49Å; Y725-R845 VanDerWaalsContact OH-CD 3.25Å; Y725-R845 WeakPolarHBondContact OH-CD 3.46Å; Y725-R845 PolarHBondContact OH-NE 3.45Å; Y725-R845 VanDerWaalsContact OH-NE 3.11Å; Y725-R845 PolarHBondContact OH-NH1 3.42Å
726V35.2Very low28.1Very low115 Ų115143.1 Ų143.170%0.69775%0.749SS**SBendtrans-119.1117.8161.4-176.20000107.5A724A724-V726 CarbonylContact O-C 3.6Å; A724-V726 PolarHBondContact O-N 2.92Å
727R26.6Very low28Very low224 Ų224140.3 Ų140.385%0.84574%0.743SS**  trans-155.4104.9171.5-128.1-167-166.4-167.22.5112.1A724A724-R727 HydrophobicContact CB-CB 4.06Å; A724-R727 HydrophobicContact CB-CG 3.97Å
728G25.7Very low27.9Very low66 Ų66138.4 Ų138.468%0.6874%0.739SS**  trans130.677.8160.400000115.3
729I27Very low27.7Very low167 Ų167136.7 Ų136.786%0.85674%0.735SS**  -156115.8109.5-88.8139.9000107.8
730S30Very low27.8Very low121 Ų121138.2 Ų138.285%0.84674%0.738SS**  trans-135.175.1162.7179.90000107.1
731Q26.5Very low27.8Very low175 Ų175137.1 Ų137.182%0.81873%0.734SS**  trans-161.2101165.4-79.9-151-4.200109.8
732R25.9Very low27.9Very low243 Ų243140.2 Ų140.292%0.91774%0.738SS**  trans175.763142.8-97.3163.7-165.8-155.65.4112K734R732-K734 PolarHBondContact O-N 3.47Å
733H25.9Very low28.1Very low157 Ų157141.5 Ų141.573%0.72775%0.746SS**  trans-81113.5157.2-77.6-139000107.4E634E634-H733 IonicContact OE1-CE1 2.69Å; E634-H733 PolarHBondContact OE1-CE1 2.64Å; E634-H733 IonicContact OE1-NE2 3.22Å; E634-H733 IonicContact OE2-CE1 2.73Å; E634-H733 PolarHBondContact OE2-CE1 3.3Å; E634-H733 IonicContact OE2-ND1 3.01Å
734K28Very low28Very low197 Ų197141.4 Ų141.486%0.85775%0.752SS**  trans-126.5128.2158.4-87.1-165.1170.8-169.70107.1R732R732-K734 PolarHBondContact O-N 3.47Å
735S24.9Very low27.9Very low110 Ų110146.3 Ų146.377%0.76977%0.77SS**  trans-62151.2170.743.30000111.3
736I25.4Very low27.4Very low164 Ų164146.3 Ų146.384%0.84178%0.778SS**  -166.5150.3121.1-98154.2000111.2
737V24Very low27Very low118 Ų118151 Ų15172%0.71579%0.789SS**  trans-72.9138.6-176.9166.50000112.8
738L25.2Very low27.1Very low152 Ų152145.8 Ų145.880%0.79678%0.777SS**  trans63158.6167.3-61.6166.3000115.3
739D24.9Very low27.1Very low133 Ų133153.2 Ų153.271%0.71179%0.785SS**  cis-157.5136.830.6-175.46.7000109.6N741D739-N741 PolarHBondContact O-N 3.25Å
740P29.4Very low27.2Very low111 Ų111152.1 Ų152.172%0.72178%0.779SS**  trans-88.374-173.535.3-37.6000114.4
741N27.4Very low27.2Very low138 Ų138154 Ų15474%0.73878%0.78SS**  trans-154.5151.1160-95.7-59000112.4D739D739-N741 PolarHBondContact O-N 3.25Å
742D28.7Very low27.2Very low153 Ų153149.7 Ų149.782%0.81878%0.783SS**  trans60.6153-178.1-58.9-32.8000114.9
743I28.6Very low27.3Very low155 Ų155141.5 Ų141.580%0.79577%0.773SS**  cis-128.8128.912-67.3168.2000109.9
744A26.9Very low27.5Very low82 Ų82140.1 Ų140.168%0.67878%0.776SS**  trans-82.5152.5159.800000111.2
745L29Very low27.5Very low156 Ų156139.5 Ų139.582%0.81778%0.776SS**  trans71.8108.9-178.2-55.5119.3000116.4
746I29.6Very low27.7Very low136 Ų136138.2 Ų138.270%0.69777%0.767SS**  -159.1104.3106.9-98.7158.6000110.9L748I746-L748 HydrophobicContact CG1-CD2 4.29Å; I746-L748 HydrophobicContact CG1-CG 4.07Å; I746-L748 HydrophobicContact CG2-CD1 3.85Å; I746-L748 HydrophobicContact CG2-CG 3.88Å
747K28.1Very low27.9Very low213 Ų213140.1 Ų140.193%0.92676%0.764SS**  trans-116.3125134.8-82.7-175176.3176.20105.4
748L28.4Very low28.2Very low114 Ų114144.4 Ų144.460%0.59777%0.767SS**  trans-99137.5-160.8-87.6159.4000113.5I746I746-L748 HydrophobicContact CG1-CD2 4.29Å; I746-L748 HydrophobicContact CG1-CG 4.07Å; I746-L748 HydrophobicContact CG2-CD1 3.85Å; I746-L748 HydrophobicContact CG2-CG 3.88Å
749R26.4Very low28.2Very low222 Ų222142 Ų14284%0.83876%0.763SS**  trans66.3151.8152.3-66.4173173166.1-2.5114.3
750I28.2Very low28.3Very low144 Ų144140.5 Ų140.574%0.73876%0.763SS**  cis-142.7150.745-77.9169.8000111.5
751N30Very low28.2Very low161 Ų161141.2 Ų141.286%0.86177%0.771SS**  trans65.4131.3177.3-58.5-18.4000117
752G26.2Very low28.2Very low85 Ų85138.4 Ų138.488%0.87678%0.775SS**  cis158.9124.8-14.800000114.4
753G27.5Very low28.1Very low70 Ų70142 Ų14272%0.72278%0.777SS**  trans139.1116.6165.500000117.1
754T30.4Very low28Very low129 Ų129140.8 Ų140.879%0.79177%0.772SS**  trans33.1114.8146.549.60000120.5
755E28.3Very low27.9Very low184 Ų184144.9 Ų144.986%0.8678%0.777SS**  77.3140.780.9-82-170.2-149.200115.4
756S29.9Very low27.9Very low82 Ų82143.7 Ų143.757%0.57377%0.767SS**  cis-167.6141.5-6.3-163.80000113.6
757R29.3Very low27.8Very low205 Ų205148 Ų14877%0.77477%0.774SS**  trans64.5124.2148.6-74.3169.9-178.5178.62.5124.8
758R29.2Very low27.9Very low207 Ų207141.2 Ų141.278%0.78176%0.764SS**  87.199.2124-74.7-179.3177.6-175.2-3.2123.7
759S26.8Very low27.9Very low101 Ų101140.4 Ų140.471%0.70677%0.768SS**  71.9130.3116.266.50000125
760S27Very low28Very low103 Ų103138.1 Ų138.172%0.7277%0.767SS**  trans88.5120.8135.360.50000123.4
761S25.8Very low28.2Very low125 Ų125139 Ų13987%0.87477%0.774SS**  trans64.6128.2146.961.60000121.4
762G29Very low28.3Very low80 Ų80134.4 Ų134.483%0.82576%0.764SS**  trans171.9140.6166.900000111
763R24.9Very low28.4Very low229 Ų229135.7 Ų135.786%0.86476%0.76SS**  trans-112.2165.1-174.7-81.6-167.7-177.3166.5-1.3113.1
764D27Very low28.5Very low129 Ų129139 Ų13969%0.6976%0.761SS**  trans69.6108.7149.2-53.4-24.3000121.7
765E24.6Very low28.5Very low167 Ų167139.1 Ų139.178%0.7876%0.761SS**  64.9140.6129.1-58.8-149.3108.700126
766H30.2Very low28.4Very low131 Ų131136.8 Ų136.861%0.60676%0.76SS**  trans91.898.7143.8-84.733.7000123.7
767R25.8Very low28.3Very low228 Ų228138.3 Ų138.386%0.8677%0.768SS**  71.2129.1126.4-65.9178.9174.1176.1-0.3122.7
768G30.2Very low28Very low69 Ų69140.2 Ų140.271%0.71178%0.775SS**  trans126.6116.3165.700000111.2
769S29Very low27.9Very low98 Ų98134.7 Ų134.769%0.68577%0.774SS**  cis80.5118.143.4-60.20000113.2
770E29.5Very low27.9Very low173 Ų173135 Ų13581%0.80878%0.776SS**  cis-151.8176.9-8.4-109.296.4-123.800106.1
771D31.4Very low27.9Very low164 Ų164135.8 Ų135.888%0.87778%0.779SS**  cis-155.1176.913.8-173.121.1000109.8
772G32.6Very low28.1Very low64 Ų64137.8 Ų137.866%0.6678%0.779SS**  trans156.4122.8162.600000116.7
773S27.8Very low28Very low112 Ų112145 Ų14578%0.78378%0.782SS**  trans-63.5144.7177.352.20000113.4
774D29.9Very low28Very low139 Ų139143.4 Ų143.474%0.74378%0.784SS**  -161.1153.765.1-135.7-22.4000115.7
775T31Very low28Very low131 Ų131146.5 Ų146.580%0.80480%0.795SS**  trans45.4133.3165.953.90000123.1
776T25.3Very low28.1Very low136 Ų136144.8 Ų144.883%0.83480%0.795SS**  trans-120.2173.1174.660.20000111.1
777P28.1Very low27.9Very low113 Ų113144.2 Ų144.273%0.73480%0.803SS**  cis-142.7139.111.938.4-16.9000119.5
778R23.4Very low27.9Very low245 Ų245138 Ų13893%0.92580%0.801SS**  35.5143.5123.1-158.3176.7-169169.94.5123.3
779A27Very low27.6Very low92 Ų92141.5 Ų141.576%0.7680%0.801SS**  trans88139.9164.200000115.3
780S27.3Very low27.5Very low106 Ų106142.7 Ų142.774%0.74181%0.807SS**  cis-143.7174.37.5-97.50000110.7
781P27Very low27.3Very low121 Ų121139.8 Ų139.879%0.78680%0.796SS**PPolyproline II helixtrans-84.2134.7-177.233-34.2000113.7
782D28.3Very low27.1Very low166 Ų166133.9 Ų133.989%0.88877%0.767SS**PPolyproline II helixtrans-83.5161.8172.5-75.6-53000113.2
783R28.1Very low27.1Very low231 Ų231137.1 Ų137.187%0.87277%0.768SS**PPolyproline II helixtrans-98.9167.3-169.7-70.2174.6168.9173.5-5.7112.7E785R783-E785 PolarHBondContact O-N 2.93Å
784E25.3Very low27.5Very low196 Ų196134.6 Ų134.692%0.91675%0.746SS**PPolyproline II helixtrans-59125169.6-61.6158.3129.300110.8
785E26.7Very low27.8Very low195 Ų195136.1 Ų136.191%0.91174%0.741SS**PPolyproline II helixtrans-90.3135.8170.4-71.3-166.7130.500111.1R783R783-E785 PolarHBondContact O-N 2.93Å
786V26.3Very low27.8Very low130 Ų130140.6 Ų140.679%0.78874%0.744SS**PPolyproline II helixtrans-85.4146178.4176.40000109.4A788V786-A788 PolarHBondContact O-N 3.31Å
787P26.6Very low28.1Very low119 Ų119136 Ų13677%0.77372%0.72SS**PPolyproline II helixtrans-60132.4-173.7-24.834.9000113.8
788A25.8Very low28.3Very low99 Ų99137.5 Ų137.582%0.81872%0.722SS**PPolyproline II helixtrans-74.7133.118000000112.7V786V786-A788 PolarHBondContact O-N 3.31Å
789I24.2Very low29.1Very low141 Ų141129.3 Ų129.372%0.72369%0.692SS**PPolyproline II helixtrans-72.7147.6167.4-61.6170.6000108.5I791I789-I791 PolarHBondContact O-N 2.97Å
790P25.6Very low29.5Very low124 Ų124129 Ų12981%0.80569%0.689SS**PPolyproline II helixtrans-59.2132.1174.6-2334.3000112
791I25Very low30.3Very low111 Ų111127.4 Ų127.457%0.56968%0.678SS**  trans-119.9133179.5-65.8176000108.9I789 R795I789-I791 PolarHBondContact O-N 2.97Å; I791-R795 HydrophobicContact CG2-CB 3.96Å; I791-R795 HydrophobicContact CG2-CG 3.97Å
792P28.7Very low31Very low41 Ų41123.3 Ų123.327%0.26665%0.65SS.*  trans-61.1152.2-179.7-27.336.5000115.1L794 R795 E821P792-L794 PolarHBondContact O-N 3.06Å; P792-R795 PolarHBondContact O-N 3.44Å; P792-E821 WeakPolarHBondContact CG-OE2 3.42Å
793L32.4Very low31.8Very low132 Ų132121.8 Ų121.869%0.69164%0.641SS**G310 helixtrans-61.5-13.9-163.3-124.4158.2000116E822L793-E822 HydrophobicContact CB-CG 4.39Å; L793-E822 WeakPolarHBondContact CD1-OE1 3.49Å
794L35.9Very low32.6Very low59 Ų59119.3 Ų119.331%0.30964%0.64SS.*G310 helixtrans-92.1-4.3-176.4-87.5159.6000115.7P792 Y796 Y799 L802 D825P792-L794 PolarHBondContact O-N 3.06Å; L794-Y796 VanDerWaalsContact C-N 3.31Å; L794-Y796 PolarHBondContact O-N 3.28Å; L794-Y799 HydrophobicContact CD2-CE1 4.11Å; L794-Y799 WeakPolarHBondContact CD2-OH 3.25Å; L794-Y799 PolarHBondContact O-OH 3.12Å; L794-L802 HydrophobicContact CD2-CD1 4.27Å; L794-D825 HydrophobicContact CD1-CB 3.45Å; L794-D825 VanDerWaalsContact CD1-CB 3.45Å; L794-D825 WeakPolarHBondContact CD1-OD2 3.46Å
795R36.9Very low34Very low171 Ų171111.8 Ų111.865%0.64561%0.607SS**G310 helixtrans-74.5-10.5178-76.2-156.5176.6-174.8-4.1115.6I791 P792I791-R795 HydrophobicContact CG2-CB 3.96Å; I791-R795 HydrophobicContact CG2-CG 3.97Å; P792-R795 PolarHBondContact O-N 3.44Å
796Y31.1Very low35.7Very low224 Ų224108.2 Ų108.288%0.87859%0.59SS**G310 helixtrans-139.924.6-172.7-93.7-77.7000116L794L794-Y796 VanDerWaalsContact C-N 3.31Å; L794-Y796 PolarHBondContact O-N 3.28Å
797A31.1Very low37.8Very low40 Ų40102.3 Ų102.333%0.33156%0.555SS.*SBendtrans-93.5135.9171.300000111.7Y799A797-Y799 WeakPolarHBondContact O-CD2 3.33Å; A797-Y799 PolarHBondContact O-N 3.46Å
798D32.3Very low40Very low145 Ų145100.5 Ų100.578%0.77554%0.542SS*.  trans-6798.7176.4-109.8-43.2000110.9A800 S801D798-A800 PolarHBondContact O-N 3Å; D798-S801 WeakPolarHBondContact O-CB 3.32Å; D798-S801 PolarHBondContact O-N 2.78Å; D798-S801 PolarHBondContact O-OG 3.03Å
799Y39.2Very low42.4Very low72 Ų72100.5 Ų100.528%0.28253%0.525SS..THydrogen-bonded Turntrans-63.2-6.7-170.3-81.5-77.2000115.6L794 A797 S801 L802 L943L794-Y799 HydrophobicContact CD2-CE1 4.11Å; L794-Y799 WeakPolarHBondContact CD2-OH 3.25Å; L794-Y799 PolarHBondContact O-OH 3.12Å; A797-Y799 WeakPolarHBondContact O-CD2 3.33Å; A797-Y799 PolarHBondContact O-N 3.46Å; Y799-S801 PolarHBondContact O-N 2.82Å; Y799-L802 HydrophobicContact CD1-CD1 3.56Å; Y799-L802 HydrophobicContact CE1-CD1 3.55Å; Y799-L943 HydrophobicContact CD1-CD2 3.54Å; Y799-L943 HydrophobicContact CD1-CG 4.18Å; Y799-L943 HydrophobicContact CD2-CD2 4.28Å; Y799-L943 HydrophobicContact CD2-CG 4.28Å; Y799-L943 HydrophobicContact CE1-CD1 3.98Å; Y799-L943 HydrophobicContact CE1-CD2 3.54Å; Y799-L943 HydrophobicContact CE1-CG 3.78Å; Y799-L943 HydrophobicContact CE2-CD2 4.28Å; Y799-L943 HydrophobicContact CE2-CG 3.9Å; Y799-L943 HydrophobicContact CG-CD2 3.92Å; Y799-L943 HydrophobicContact CG-CG 4.42Å
800A36.7Very low44.8Very low85 Ų8594.3 Ų94.370%0.70249%0.493SS*.THydrogen-bonded Turntrans-59.1-34166.100000112.4D798D798-A800 PolarHBondContact O-N 3Å
801S42.5Very low47.4Very low73 Ų7388.7 Ų88.751%0.5146%0.457SS..G310 helixtrans-72.4-28.6-175.561.30000114.7D798 Y799 N803 E804D798-S801 WeakPolarHBondContact O-CB 3.32Å; D798-S801 PolarHBondContact O-N 2.78Å; D798-S801 PolarHBondContact O-OG 3.03Å; Y799-S801 PolarHBondContact O-N 2.82Å; S801-N803 PolarHBondContact O-N 2.91Å; S801-N803 VanDerWaalsContact O-N 3.07Å; S801-E804 PolarHBondContact O-N 2.93Å
802L43.4Very low50Low36 Ų3687.8 Ų87.819%0.18845%0.453CS..G310 helixtrans-73.91-171.6-95.6161.8000115.4L794 Y799 V805 Y829L794-L802 HydrophobicContact CD2-CD1 4.27Å; Y799-L802 HydrophobicContact CD1-CD1 3.56Å; Y799-L802 HydrophobicContact CE1-CD1 3.55Å; L802-V805 HydrophobicContact CD2-CB 4.44Å; L802-V805 HydrophobicContact CD2-CG2 4.02Å; L802-Y829 HydrophobicContact CD2-CE2 4.45Å; L802-Y829 PolarHBondContact O-OH 2.81Å
803N43.4Very low52.5Low133 Ų13389.7 Ų89.771%0.71146%0.459SS*.G310 helixtrans-75.4-28174.8-77.2-67.8000113.3S801S801-N803 PolarHBondContact O-N 2.91Å; S801-N803 VanDerWaalsContact O-N 3.07Å
804E45.8Very low54.8Low179 Ų17984.4 Ų84.484%0.83643%0.431SS*.THydrogen-bonded Turntrans-99.6-16.4-173.4-60.9-163142.600114.6S801 Q806S801-E804 PolarHBondContact O-N 2.93Å; E804-Q806 PolarHBondContact O-N 3.07Å
805V55Low56.7Low38 Ų3886.3 Ų86.323%0.2344%0.441CS..  trans-56125.3-178.7-178.20000111.8L802 E809 L810 K833L802-V805 HydrophobicContact CD2-CB 4.44Å; L802-V805 HydrophobicContact CD2-CG2 4.02Å; V805-E809 HydrophobicContact CG1-CB 4.44Å; V805-L810 HydrophobicContact CG1-CD1 3.8Å; V805-L810 HydrophobicContact CG1-CG 3.89Å; V805-K833 PolarHBondContact O-NZ 2.81Å
806Q61.4Low58.7Low120 Ų12085.6 Ų85.656%0.56145%0.446SS*.  trans-70.7139.4178.7-66.6-81.3-7.400109.9E804 T808 E809 L810E804-Q806 PolarHBondContact O-N 3.07Å; Q806-T808 WeakPolarHBondContact CB-OG1 3.32Å; Q806-T808 PolarHBondContact O-N 3.07Å; Q806-E809 HydrophobicContact CB-CG 4.04Å; Q806-E809 WeakPolarHBondContact CB-OE2 3.5Å; Q806-E809 PolarHBondContact N-OE2 2.89Å; Q806-E809 PolarHBondContact O-N 2.78Å; Q806-E809 VanDerWaalsContact O-N 3.14Å; Q806-L810 PolarHBondContact O-N 2.82Å
807C71.6Confident61.1Low7 Ų775.9 Ų75.95%0.04741%0.41CS..THydrogen-bonded Turntrans-69.5-3.9176-60.30000113.6V811 L830 K833 K834 W838C807-V811 VanDerWaalsContact O-CG2 3.28Å; C807-V811 WeakPolarHBondContact O-CG2 3.31Å; C807-L830 HydrophobicContact CB-CD2 3.78Å; C807-K833 VanDerWaalsContact SG-CD 3.58Å; C807-K834 HydrophobicContact CB-CG 4.29Å; C807-K834 WeakPolarHBondContact SG-CE 3.5Å; C807-W838 HydrophobicContact CB-CH2 3.95Å; C807-W838 HydrophobicContact CB-CZ2 4.46Å; C807-W838 HydrophobicContact CB-CZ3 4.41Å
808T71.4Confident63.3Low81 Ų8180.6 Ų80.650%0.49743%0.429SS..THydrogen-bonded Turntrans-80.4-46.3167.746.90000111.3Q806 L810 V811 D812Q806-T808 WeakPolarHBondContact CB-OG1 3.32Å; Q806-T808 PolarHBondContact O-N 3.07Å; T808-L810 PolarHBondContact O-N 3.39Å; T808-V811 CarbonylContact O-C 3.54Å; T808-V811 WeakPolarHBondContact O-CA 3.33Å; T808-V811 WeakPolarHBondContact O-CB 3.49Å; T808-V811 PolarHBondContact O-N 3.46Å; T808-D812 PolarHBondContact O-N 3.17Å
809E76Confident65.5Low98 Ų9877.5 Ų77.546%0.45841%0.412SS..Hα-helixtrans-58.4-38.5178.4-64.3157.1169.600111.1V805 Q806 D812 M813V805-E809 HydrophobicContact CG1-CB 4.44Å; Q806-E809 HydrophobicContact CB-CG 4.04Å; Q806-E809 WeakPolarHBondContact CB-OE2 3.5Å; Q806-E809 PolarHBondContact N-OE2 2.89Å; Q806-E809 PolarHBondContact O-N 2.78Å; Q806-E809 VanDerWaalsContact O-N 3.14Å; E809-D812 PolarHBondContact O-N 3.03Å; E809-M813 WeakPolarHBondContact O-CG 3.29Å; E809-M813 PolarHBondContact O-N 3.24Å
810L76.1Confident67.4Low11 Ų1174.7 Ų74.76%0.05840%0.402CS..Hα-helixtrans-65.7-32.7171.8-76.3152.9000113.8V805 Q806 T808 M813 L814 I826 Y829 L830V805-L810 HydrophobicContact CG1-CD1 3.8Å; V805-L810 HydrophobicContact CG1-CG 3.89Å; Q806-L810 PolarHBondContact O-N 2.82Å; T808-L810 PolarHBondContact O-N 3.39Å; L810-M813 HydrophobicContact CD2-CE 3.77Å; L810-M813 HydrophobicContact CG-CE 4.03Å; L810-L814 PolarHBondContact O-N 2.89Å; L810-I826 HydrophobicContact CB-CG2 4.24Å; L810-I826 HydrophobicContact CD2-CG1 4.3Å; L810-I826 HydrophobicContact CD2-CG2 4.23Å; L810-I826 WeakPolarHBondContact O-CG2 3.49Å; L810-Y829 HydrophobicContact CD1-CD1 3.57Å; L810-Y829 HydrophobicContact CD1-CE1 3.38Å; L810-Y829 HydrophobicContact CD2-CD1 4.47Å; L810-L830 HydrophobicContact CB-CD2 4.13Å
811V80.2Confident69.1Low7 Ų773.6 Ų73.64%0.04238%0.382CS..Hα-helixtrans-75-31.6174.6165.70000111.1C807 T808 L814 L830 W838 T840 L842C807-V811 VanDerWaalsContact O-CG2 3.28Å; C807-V811 WeakPolarHBondContact O-CG2 3.31Å; T808-V811 CarbonylContact O-C 3.54Å; T808-V811 WeakPolarHBondContact O-CA 3.33Å; T808-V811 WeakPolarHBondContact O-CB 3.49Å; T808-V811 PolarHBondContact O-N 3.46Å; V811-L814 WeakPolarHBondContact O-CB 3.33Å; V811-L830 HydrophobicContact CG2-CD1 3.66Å; V811-L830 HydrophobicContact CG2-CD2 4.46Å; V811-W838 HydrophobicContact CG2-CH2 4.13Å; V811-W838 HydrophobicContact CG2-CZ3 3.97Å; V811-T840 HydrophobicContact CG2-CG2 4.11Å; V811-L842 HydrophobicContact CG1-CB 4.22Å; V811-L842 HydrophobicContact CG1-CD1 3.74Å; V811-L842 VanDerWaalsContact O-CD1 3.28Å; V811-L842 WeakPolarHBondContact O-CD1 3.27Å
812D79.6Confident70.6Confident91 Ų9172.3 Ų72.349%0.48737%0.368SS..Hα-helixtrans-73.7-44.5176.1-62.1-41.8000111T808 E809 L814 L815T808-D812 PolarHBondContact O-N 3.17Å; E809-D812 PolarHBondContact O-N 3.03Å; D812-L814 PolarHBondContact O-N 3.18Å; D812-L815 WeakPolarHBondContact O-CB 3.33Å; D812-L815 PolarHBondContact O-N 2.87Å
813M80.6Confident72.5Confident81 Ų8171.7 Ų71.740%0.39936%0.364SS..Hα-helixtrans-58.5-28.9172-72.9-173.7-64.400113.1E809 L810 L815 E816 T817 I826E809-M813 WeakPolarHBondContact O-CG 3.29Å; E809-M813 PolarHBondContact O-N 3.24Å; L810-M813 HydrophobicContact CD2-CE 3.77Å; L810-M813 HydrophobicContact CG-CE 4.03Å; M813-L815 PolarHBondContact O-N 3.46Å; M813-E816 PolarHBondContact O-N 2.97Å; M813-T817 PolarHBondContact O-N 2.95Å; M813-T817 VanDerWaalsContact O-N 3.12Å; M813-I826 HydrophobicContact CB-CD1 4.14Å
814L80.1Confident74.1Confident21 Ų2165.4 Ų65.411%0.1133%0.331CS..THydrogen-bonded Turntrans-66.2-15.2174.1-160.573.9000113.5L810 V811 D812 Q823 I826 V827 L842 L853L810-L814 PolarHBondContact O-N 2.89Å; V811-L814 WeakPolarHBondContact O-CB 3.33Å; D812-L814 PolarHBondContact O-N 3.18Å; L814-Q823 HydrophobicContact CD1-CB 4.08Å; L814-Q823 HydrophobicContact CD1-CG 4.19Å; L814-I826 HydrophobicContact CB-CG2 4.27Å; L814-I826 HydrophobicContact CD1-CB 4.02Å; L814-I826 HydrophobicContact CD1-CD1 4.5Å; L814-I826 HydrophobicContact CD1-CG2 3.83Å; L814-V827 HydrophobicContact CD1-CG2 3.7Å; L814-V827 HydrophobicContact CD2-CG2 3.63Å; L814-V827 HydrophobicContact CG-CG2 4.35Å; L814-L842 HydrophobicContact CB-CD1 4.32Å; L814-L842 HydrophobicContact CD2-CD1 4.2Å; L814-L842 HydrophobicContact CD2-CD2 4.2Å; L814-L853 HydrophobicContact CD2-CD1 3.79Å
815L77.3Confident75.6Confident99 Ų9959.2 Ų59.252%0.51830%0.303SS..THydrogen-bonded Turntrans-90.7-11.4171.1-61.5172.9000112.9D812 M813 L842D812-L815 WeakPolarHBondContact O-CB 3.33Å; D812-L815 PolarHBondContact O-N 2.87Å; M813-L815 PolarHBondContact O-N 3.46Å; L815-L842 HydrophobicContact CD1-CD1 4.29Å; L815-L842 HydrophobicContact CD2-CD1 3.59Å; L815-L842 HydrophobicContact CD2-CG 3.96Å; L815-L842 HydrophobicContact CG-CD1 3.71Å
816E78.9Confident76.6Confident157 Ų15758.3 Ų58.373%0.73430%0.297SS*.THydrogen-bonded Turntrans-104.5-29.6-174.3-61.9-173154.800113.3M813M813-E816 PolarHBondContact O-N 2.97Å
817T81Confident77.6Confident20 Ų2052.7 Ų52.712%0.12327%0.271CS..  trans-88.9125.5177.8-177.50000113.4M813 L819 E822 Q823 I826M813-T817 PolarHBondContact O-N 2.95Å; M813-T817 VanDerWaalsContact O-N 3.12Å; T817-L819 PolarHBondContact OG1-N 3.3Å; T817-L819 VanDerWaalsContact OG1-N 3.15Å; T817-E822 WeakPolarHBondContact CB-OE2 3.48Å; T817-E822 HydrophobicContact CG2-CB 3.97Å; T817-E822 PolarHBondContact OG1-OE2 3.44Å; T817-Q823 HydrophobicContact CG2-CG 3.91Å; T817-Q823 PolarHBondContact O-NE2 3.46Å; T817-I826 HydrophobicContact CG2-CD1 4.14Å
818D77.5Confident77.6Confident138 Ų13853.4 Ų53.474%0.73827%0.274SS*.  trans-83.3-12.2169.3-80.7-44000112.8
819L78.3Confident77.9Confident80 Ų8052.8 Ų52.842%0.41926%0.263SS..  trans-81.8123.9-172.9-16476.7000111.5T817 E821 E822 Q823T817-L819 PolarHBondContact OG1-N 3.3Å; T817-L819 VanDerWaalsContact OG1-N 3.15Å; L819-E821 VanDerWaalsContact C-N 3.27Å; L819-E821 PolarHBondContact O-N 2.79Å; L819-E822 HydrophobicContact CB-CB 4.32Å; L819-E822 HydrophobicContact CB-CG 4.4Å; L819-E822 HydrophobicContact CD2-CG 4.01Å; L819-E822 WeakPolarHBondContact CD2-OE1 3.26Å; L819-E822 PolarHBondContact O-N 2.8Å; L819-Q823 WeakPolarHBondContact O-CG 3.44Å; L819-Q823 PolarHBondContact O-N 2.88Å
820L78.9Confident78Confident13 Ų1348.1 Ų48.17%0.06824%0.241CC..Hα-helixtrans-60.1-34.7-176.6179.860.3000113.4Q823 A824 I857 K860 A861 E864 L869L820-Q823 PolarHBondContact O-N 3.42Å; L820-A824 WeakPolarHBondContact O-CB 3.35Å; L820-A824 PolarHBondContact O-N 3.08Å; L820-I857 HydrophobicContact CD1-CG2 4.07Å; L820-K860 HydrophobicContact CD1-CB 3.57Å; L820-K860 HydrophobicContact CD1-CD 3.82Å; L820-K860 HydrophobicContact CD1-CG 4.34Å; L820-K860 HydrophobicContact CD2-CB 4.04Å; L820-K860 HydrophobicContact CG-CB 4.47Å; L820-A861 HydrophobicContact CD2-CB 4.01Å; L820-E864 WeakPolarHBondContact CD2-OE2 3.26Å; L820-L869 HydrophobicContact CD1-CD2 4.44Å; L820-L869 HydrophobicContact CD2-CD2 4.05Å; L820-L869 HydrophobicContact CG-CD2 3.86Å
821E72.6Confident78.3Confident62 Ų6249.7 Ų49.729%0.2925%0.247SC..Hα-helixtrans-72.8-37.9-178.3-59-169.4138.700111.8P792 L819 A824 D825 W868P792-E821 WeakPolarHBondContact CG-OE2 3.42Å; L819-E821 VanDerWaalsContact C-N 3.27Å; L819-E821 PolarHBondContact O-N 2.79Å; E821-A824 WeakPolarHBondContact O-CB 3.05Å; E821-A824 PolarHBondContact O-N 2.8Å; E821-D825 PolarHBondContact O-N 3.24Å; E821-W868 HydrophobicContact CG-CZ2 4.35Å
822E74.4Confident77.8Confident46 Ų4651 Ų5122%0.21526%0.258CS..Hα-helixtrans-68.4-41.4170.9-73.7164.5-15700111.9L793 T817 L819 A824 D825 I826L793-E822 HydrophobicContact CB-CG 4.39Å; L793-E822 WeakPolarHBondContact CD1-OE1 3.49Å; T817-E822 WeakPolarHBondContact CB-OE2 3.48Å; T817-E822 HydrophobicContact CG2-CB 3.97Å; T817-E822 PolarHBondContact OG1-OE2 3.44Å; L819-E822 HydrophobicContact CB-CB 4.32Å; L819-E822 HydrophobicContact CB-CG 4.4Å; L819-E822 HydrophobicContact CD2-CG 4.01Å; L819-E822 WeakPolarHBondContact CD2-OE1 3.26Å; L819-E822 PolarHBondContact O-N 2.8Å; E822-A824 PolarHBondContact O-N 2.87Å; E822-D825 PolarHBondContact O-N 3.15Å; E822-I826 WeakPolarHBondContact O-CB 3.22Å; E822-I826 VanDerWaalsContact O-CG1 3.26Å; E822-I826 WeakPolarHBondContact O-CG1 3.41Å; E822-I826 PolarHBondContact O-N 3.21Å
823Q81.9Confident77.8Confident24 Ų2450.5 Ų50.511%0.11225%0.252CS..Hα-helixtrans-58.1-39172-70.4178.515.400111.3L814 T817 L819 L820 V827 I857L814-Q823 HydrophobicContact CD1-CB 4.08Å; L814-Q823 HydrophobicContact CD1-CG 4.19Å; T817-Q823 HydrophobicContact CG2-CG 3.91Å; T817-Q823 PolarHBondContact O-NE2 3.46Å; L819-Q823 WeakPolarHBondContact O-CG 3.44Å; L819-Q823 PolarHBondContact O-N 2.88Å; L820-Q823 PolarHBondContact O-N 3.42Å; Q823-V827 WeakPolarHBondContact O-CB 3.31Å; Q823-V827 VanDerWaalsContact O-CG2 3.3Å; Q823-V827 WeakPolarHBondContact O-CG2 3.46Å; Q823-V827 PolarHBondContact O-N 3.41Å; Q823-I857 WeakPolarHBondContact O-CD1 3.3Å
824A78.7Confident77.9Confident0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-62.5-61.6173.300000110.9L820 E821 E822 I826 V827 L828 I857 L869L820-A824 WeakPolarHBondContact O-CB 3.35Å; L820-A824 PolarHBondContact O-N 3.08Å; E821-A824 WeakPolarHBondContact O-CB 3.05Å; E821-A824 PolarHBondContact O-N 2.8Å; E822-A824 PolarHBondContact O-N 2.87Å; A824-I826 VanDerWaalsContact C-N 3.27Å; A824-I826 PolarHBondContact O-N 2.95Å; A824-V827 PolarHBondContact O-N 2.89Å; A824-L828 HydrophobicContact CB-CD1 4.08Å; A824-L828 VanDerWaalsContact O-CB 3.29Å; A824-L828 WeakPolarHBondContact O-CB 3.28Å; A824-L828 WeakPolarHBondContact O-CD1 3.34Å; A824-L828 WeakPolarHBondContact O-CG 3.32Å; A824-L828 PolarHBondContact O-N 3.09Å; A824-I857 HydrophobicContact CB-CG2 4.08Å; A824-L869 HydrophobicContact CB-CD1 3.6Å; A824-L869 HydrophobicContact CB-CD2 3.85Å; A824-L869 HydrophobicContact CB-CG 4.4Å
825D75.4Confident77.9Confident49 Ų4951.6 Ų51.626%0.26226%0.259SS..Hα-helixtrans-55.3-41.3-174.5-74.4-21.9000112.9L794 E821 E822 L828 Y829L794-D825 HydrophobicContact CD1-CB 3.45Å; L794-D825 VanDerWaalsContact CD1-CB 3.45Å; L794-D825 WeakPolarHBondContact CD1-OD2 3.46Å; E821-D825 PolarHBondContact O-N 3.24Å; E822-D825 PolarHBondContact O-N 3.15Å; D825-L828 PolarHBondContact O-N 3.29Å; D825-Y829 VanDerWaalsContact O-CB 3.3Å; D825-Y829 WeakPolarHBondContact O-CB 3.33Å; D825-Y829 PolarHBondContact O-N 3.45Å
826I77.4Confident78.2Confident20 Ų2048.9 Ų48.910%0.10325%0.247CC..Hα-helixtrans-61.6-51.2175.1-68.6170.5000111.1L810 M813 L814 T817 E822 A824 L828 Y829 L830L810-I826 HydrophobicContact CB-CG2 4.24Å; L810-I826 HydrophobicContact CD2-CG1 4.3Å; L810-I826 HydrophobicContact CD2-CG2 4.23Å; L810-I826 WeakPolarHBondContact O-CG2 3.49Å; M813-I826 HydrophobicContact CB-CD1 4.14Å; L814-I826 HydrophobicContact CB-CG2 4.27Å; L814-I826 HydrophobicContact CD1-CB 4.02Å; L814-I826 HydrophobicContact CD1-CD1 4.5Å; L814-I826 HydrophobicContact CD1-CG2 3.83Å; T817-I826 HydrophobicContact CG2-CD1 4.14Å; E822-I826 WeakPolarHBondContact O-CB 3.22Å; E822-I826 VanDerWaalsContact O-CG1 3.26Å; E822-I826 WeakPolarHBondContact O-CG1 3.41Å; E822-I826 PolarHBondContact O-N 3.21Å; A824-I826 VanDerWaalsContact C-N 3.27Å; A824-I826 PolarHBondContact O-N 2.95Å; I826-L828 VanDerWaalsContact C-N 3.33Å; I826-L828 PolarHBondContact O-N 3.4Å; I826-Y829 PolarHBondContact O-N 3.18Å; I826-L830 HydrophobicContact CG2-CD1 4.26Å; I826-L830 WeakPolarHBondContact O-CG 3.32Å; I826-L830 PolarHBondContact O-N 3.12Å
827V81.1Confident78.7Confident1 Ų147.6 Ų47.61%0.00625%0.246CC..Hα-helixtrans-68.9-33.1-178.5172.30000111.9L814 Q823 A824 L830 W831 V850 L853 V854 I857L814-V827 HydrophobicContact CD1-CG2 3.7Å; L814-V827 HydrophobicContact CD2-CG2 3.63Å; L814-V827 HydrophobicContact CG-CG2 4.35Å; Q823-V827 WeakPolarHBondContact O-CB 3.31Å; Q823-V827 VanDerWaalsContact O-CG2 3.3Å; Q823-V827 WeakPolarHBondContact O-CG2 3.46Å; Q823-V827 PolarHBondContact O-N 3.41Å; A824-V827 PolarHBondContact O-N 2.89Å; V827-L830 PolarHBondContact O-N 3.35Å; V827-W831 WeakPolarHBondContact O-CB 3.18Å; V827-W831 PolarHBondContact O-N 3.46Å; V827-V850 HydrophobicContact CG1-CG1 3.77Å; V827-V850 WeakPolarHBondContact O-CG1 3.19Å; V827-L853 HydrophobicContact CB-CB 4.47Å; V827-L853 HydrophobicContact CG1-CB 3.68Å; V827-L853 HydrophobicContact CG2-CB 3.85Å; V827-L853 HydrophobicContact CG2-CD1 4.07Å; V827-V854 HydrophobicContact CG1-CG2 3.55Å; V827-I857 HydrophobicContact CB-CD1 3.49Å; V827-I857 VanDerWaalsContact CB-CD1 3.49Å; V827-I857 HydrophobicContact CG1-CD1 3.73Å; V827-I857 HydrophobicContact CG2-CD1 3.66Å
828L73.4Confident79Confident23 Ų2350.2 Ų50.212%0.1225%0.253CS..Hα-helixtrans-65.7-44.3174.4-68.7168.6000110.8A824 D825 I826 L830 W831 A832 Y872 L876A824-L828 HydrophobicContact CB-CD1 4.08Å; A824-L828 VanDerWaalsContact O-CB 3.29Å; A824-L828 WeakPolarHBondContact O-CB 3.28Å; A824-L828 WeakPolarHBondContact O-CD1 3.34Å; A824-L828 WeakPolarHBondContact O-CG 3.32Å; A824-L828 PolarHBondContact O-N 3.09Å; D825-L828 PolarHBondContact O-N 3.29Å; I826-L828 VanDerWaalsContact C-N 3.33Å; I826-L828 PolarHBondContact O-N 3.4Å; L828-L830 VanDerWaalsContact C-N 3.34Å; L828-L830 PolarHBondContact O-N 3.01Å; L828-W831 PolarHBondContact O-N 2.84Å; L828-A832 VanDerWaalsContact O-CB 3.26Å; L828-A832 WeakPolarHBondContact O-CB 3.47Å; L828-A832 PolarHBondContact O-N 3.42Å; L828-Y872 HydrophobicContact CD1-CD1 3.98Å; L828-Y872 HydrophobicContact CD1-CE1 3.67Å; L828-Y872 HydrophobicContact CD2-CD1 3.94Å; L828-Y872 HydrophobicContact CD2-CE1 3.51Å; L828-Y872 HydrophobicContact CG-CE1 4.15Å; L828-L876 HydrophobicContact CD2-CD1 3.24Å
829Y75.8Confident79.3Confident68 Ų6845.7 Ų45.727%0.26723%0.229SC..Hα-helixtrans-64.3-35.5172.3-176.9-85.3000112.4L802 L810 D825 I826 A832 K833L802-Y829 HydrophobicContact CD2-CE2 4.45Å; L802-Y829 PolarHBondContact O-OH 2.81Å; L810-Y829 HydrophobicContact CD1-CD1 3.57Å; L810-Y829 HydrophobicContact CD1-CE1 3.38Å; L810-Y829 HydrophobicContact CD2-CD1 4.47Å; D825-Y829 VanDerWaalsContact O-CB 3.3Å; D825-Y829 WeakPolarHBondContact O-CB 3.33Å; D825-Y829 PolarHBondContact O-N 3.45Å; I826-Y829 PolarHBondContact O-N 3.18Å; Y829-A832 WeakPolarHBondContact O-CB 3.4Å; Y829-K833 HydrophobicContact CD1-CB 4.48Å; Y829-K833 HydrophobicContact CD1-CD 4.26Å; Y829-K833 HydrophobicContact CE1-CB 4.3Å; Y829-K833 HydrophobicContact CE1-CD 3.33Å; Y829-K833 HydrophobicContact CE1-CG 4.45Å; Y829-K833 VanDerWaalsContact O-CB 3.24Å; Y829-K833 WeakPolarHBondContact O-CB 3.48Å; Y829-K833 PolarHBondContact O-N 3.22Å; Y829-K833 WeakPolarHBondContact OH-CD 3.44Å; Y829-K833 PolarHBondContact OH-NZ 2.91Å
830L79.7Confident79.6Confident0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-68.1-41.7172.8-70.2174.9000112.1C807 L810 V811 I826 V827 L828 A832 K833 K834 W838 V850C807-L830 HydrophobicContact CB-CD2 3.78Å; L810-L830 HydrophobicContact CB-CD2 4.13Å; V811-L830 HydrophobicContact CG2-CD1 3.66Å; V811-L830 HydrophobicContact CG2-CD2 4.46Å; I826-L830 HydrophobicContact CG2-CD1 4.26Å; I826-L830 WeakPolarHBondContact O-CG 3.32Å; I826-L830 PolarHBondContact O-N 3.12Å; V827-L830 PolarHBondContact O-N 3.35Å; L828-L830 VanDerWaalsContact C-N 3.34Å; L828-L830 PolarHBondContact O-N 3.01Å; L830-A832 VanDerWaalsContact C-N 3.3Å; L830-A832 PolarHBondContact O-N 3.26Å; L830-K833 PolarHBondContact O-N 3.31Å; L830-K834 WeakPolarHBondContact O-CB 3.39Å; L830-K834 PolarHBondContact O-N 3.47Å; L830-W838 HydrophobicContact CD2-CZ3 3.92Å; L830-V850 HydrophobicContact CB-CG1 4.07Å; L830-V850 HydrophobicContact CB-CG2 4.2Å
831W82.1Confident79.7Confident44 Ų4450.4 Ų50.417%0.16724%0.242CC..Hα-helixtrans-62-42.7175.3177.3-70000110.1V827 L828 G835 P836 V850 K851 V854 L876 L877V827-W831 WeakPolarHBondContact O-CB 3.18Å; V827-W831 PolarHBondContact O-N 3.46Å; L828-W831 PolarHBondContact O-N 2.84Å; W831-G835 WeakPolarHBondContact O-CA 3.41Å; W831-G835 PolarHBondContact O-N 3.16Å; W831-P836 HydrophobicContact CD2-CB 4.15Å; W831-P836 HydrophobicContact CE3-CB 3.87Å; W831-P836 HydrophobicContact CH2-CB 3.86Å; W831-P836 HydrophobicContact CZ2-CB 4.09Å; W831-P836 HydrophobicContact CZ3-CB 3.75Å; W831-V850 HydrophobicContact CB-CG1 3.88Å; W831-K851 HydrophobicContact CZ3-CB 4.03Å; W831-K851 HydrophobicContact CZ3-CG 4.15Å; W831-V854 HydrophobicContact CD2-CG2 4.42Å; W831-V854 HydrophobicContact CE3-CB 4.25Å; W831-V854 HydrophobicContact CE3-CG2 3.54Å; W831-V854 HydrophobicContact CZ3-CB 4.13Å; W831-V854 HydrophobicContact CZ3-CG1 4.41Å; W831-V854 HydrophobicContact CZ3-CG2 3.95Å; W831-L876 HydrophobicContact CH2-CB 4.23Å; W831-L876 VanDerWaalsContact CH2-O 3.24Å; W831-L876 WeakPolarHBondContact CH2-O 3.36Å; W831-L876 HydrophobicContact CZ2-CB 4.03Å; W831-L876 HydrophobicContact CZ2-CD2 4.36Å; W831-L876 VanDerWaalsContact CZ2-O 3.25Å; W831-L876 WeakPolarHBondContact CZ2-O 3.41Å; W831-L877 HydrophobicContact CZ3-CD2 4.36Å
832A70Confident79.9Confident34 Ų3448.7 Ų48.728%0.28123%0.234SC..Hα-helixtrans-59.9-54.8173.400000113.3L828 Y829 L830 W958L828-A832 VanDerWaalsContact O-CB 3.26Å; L828-A832 WeakPolarHBondContact O-CB 3.47Å; L828-A832 PolarHBondContact O-N 3.42Å; Y829-A832 WeakPolarHBondContact O-CB 3.4Å; L830-A832 VanDerWaalsContact C-N 3.3Å; L830-A832 PolarHBondContact O-N 3.26Å; A832-W958 HydrophobicContact CB-CE3 4.21Å; A832-W958 HydrophobicContact CB-CH2 3.25Å; A832-W958 HydrophobicContact CB-CZ2 3.99Å; A832-W958 HydrophobicContact CB-CZ3 3.35Å
833K78.2Confident79.8Confident81 Ų8148.6 Ų48.635%0.35225%0.246SC..Hα-helixtrans-83-19.1-170.4-168.2168178.1-179.90114V805 C807 Y829 L830V805-K833 PolarHBondContact O-NZ 2.81Å; C807-K833 VanDerWaalsContact SG-CD 3.58Å; Y829-K833 HydrophobicContact CD1-CB 4.48Å; Y829-K833 HydrophobicContact CD1-CD 4.26Å; Y829-K833 HydrophobicContact CE1-CB 4.3Å; Y829-K833 HydrophobicContact CE1-CD 3.33Å; Y829-K833 HydrophobicContact CE1-CG 4.45Å; Y829-K833 VanDerWaalsContact O-CB 3.24Å; Y829-K833 WeakPolarHBondContact O-CB 3.48Å; Y829-K833 PolarHBondContact O-N 3.22Å; Y829-K833 WeakPolarHBondContact OH-CD 3.44Å; Y829-K833 PolarHBondContact OH-NZ 2.91Å; L830-K833 PolarHBondContact O-N 3.31Å
834K82.7Confident79.3Confident103 Ų10351 Ų5145%0.44828%0.277SS..Hα-helixtrans-130.9-15.6-175.5-61.9-67.7179.8-178.70115.7C807 L830 W838C807-K834 HydrophobicContact CB-CG 4.29Å; C807-K834 WeakPolarHBondContact SG-CE 3.5Å; L830-K834 WeakPolarHBondContact O-CB 3.39Å; L830-K834 PolarHBondContact O-N 3.47Å; K834-W838 HydrophobicContact CB-CB 3.65Å; K834-W838 HydrophobicContact CB-CD2 3.65Å; K834-W838 HydrophobicContact CB-CE3 3.85Å; K834-W838 HydrophobicContact CB-CG 3.56Å; K834-W838 HydrophobicContact CD-CD2 4.28Å; K834-W838 HydrophobicContact CD-CG 4.43Å; K834-W838 HydrophobicContact CG-CD2 3.76Å; K834-W838 HydrophobicContact CG-CE3 3.88Å; K834-W838 HydrophobicContact CG-CG 4.11Å; K834-W838 HydrophobicContact CG-CZ3 4.33Å
835G80.7Confident78.9Confident22 Ų2255.2 Ų55.223%0.22729%0.293CS..  trans85.1162.9-177.700000114.3W831 D837 W838W831-G835 WeakPolarHBondContact O-CA 3.41Å; W831-G835 PolarHBondContact O-N 3.16Å; G835-D837 VanDerWaalsContact C-N 3.34Å; G835-D837 PolarHBondContact O-N 3.01Å; G835-W838 PolarHBondContact O-N 2.93Å
836P83.5Confident78.5Confident41 Ų4157.3 Ų57.327%0.26631%0.311SS..THydrogen-bonded Turntrans-63.2-35.1-170.323.6-34.3000114W831 W838 V850 K851W831-P836 HydrophobicContact CD2-CB 4.15Å; W831-P836 HydrophobicContact CE3-CB 3.87Å; W831-P836 HydrophobicContact CH2-CB 3.86Å; W831-P836 HydrophobicContact CZ2-CB 4.09Å; W831-P836 HydrophobicContact CZ3-CB 3.75Å; P836-W838 VanDerWaalsContact C-N 3.34Å; P836-V850 PolarHBondContact O-N 2.86Å; P836-K851 HydrophobicContact CB-CB 4.05Å; P836-K851 WeakPolarHBondContact O-CB 3.1Å; P836-K851 PolarHBondContact O-N 2.94Å
837D88.8Confident78.7Confident131 Ų13162.3 Ų62.370%0.70134%0.338SS*.THydrogen-bonded Turntrans-87.3-0.7-173.9-54.7-62.9000113.5G835 N839G835-D837 VanDerWaalsContact C-N 3.34Å; G835-D837 PolarHBondContact O-N 3.01Å; D837-N839 PolarHBondContact O-N 2.79Å
838W87.6Confident78.8Confident74 Ų7462.9 Ų62.928%0.2834%0.342SS..  trans-67.3116178.7-177.970.6000111.1C807 V811 L830 K834 G835 P836 T840 P849 V850C807-W838 HydrophobicContact CB-CH2 3.95Å; C807-W838 HydrophobicContact CB-CZ2 4.46Å; C807-W838 HydrophobicContact CB-CZ3 4.41Å; V811-W838 HydrophobicContact CG2-CH2 4.13Å; V811-W838 HydrophobicContact CG2-CZ3 3.97Å; L830-W838 HydrophobicContact CD2-CZ3 3.92Å; K834-W838 HydrophobicContact CB-CB 3.65Å; K834-W838 HydrophobicContact CB-CD2 3.65Å; K834-W838 HydrophobicContact CB-CE3 3.85Å; K834-W838 HydrophobicContact CB-CG 3.56Å; K834-W838 HydrophobicContact CD-CD2 4.28Å; K834-W838 HydrophobicContact CD-CG 4.43Å; K834-W838 HydrophobicContact CG-CD2 3.76Å; K834-W838 HydrophobicContact CG-CE3 3.88Å; K834-W838 HydrophobicContact CG-CG 4.11Å; K834-W838 HydrophobicContact CG-CZ3 4.33Å; G835-W838 PolarHBondContact O-N 2.93Å; P836-W838 VanDerWaalsContact C-N 3.34Å; W838-T840 HydrophobicContact CE3-CG2 3.93Å; W838-T840 HydrophobicContact CZ3-CG2 3.83Å; W838-T840 PolarHBondContact O-N 2.74Å; W838-T840 VanDerWaalsContact O-N 3.14Å; W838-P849 CarbonylContact O-C 3.57Å; W838-P849 VanDerWaalsContact O-CA 3.3Å; W838-P849 WeakPolarHBondContact O-CA 3.47Å; W838-V850 HydrophobicContact CB-CG2 4.17Å; W838-V850 HydrophobicContact CE3-CG2 3.82Å; W838-V850 WeakPolarHBondContact O-CG2 3.39Å; W838-V850 PolarHBondContact O-N 2.77Å
839N85.3Confident79.5Confident44 Ų4463.5 Ų63.524%0.23535%0.347CS..BIsolated β-bridgetrans-72.8104.9177.1178.325.7000110.6D837 R841 N847 V848D837-N839 PolarHBondContact O-N 2.79Å; N839-R841 PolarHBondContact O-N 3.29Å; N839-R841 PolarHBondContact OD1-N 3.16Å; N839-N847 PolarHBondContact ND2-N 3.28Å; N839-N847 PolarHBondContact OD1-N 3.21Å; N839-V848 PolarHBondContact OD1-N 3.36Å; N839-V848 PolarHBondContact OD1-O 3.24Å
840T83.1Confident80.1Confident10 Ų1060.2 Ų60.26%0.06133%0.334CS..  trans-59.4-27.6179.758.60000114V811 W838 L842 V848 V850 L853V811-T840 HydrophobicContact CG2-CG2 4.11Å; W838-T840 HydrophobicContact CE3-CG2 3.93Å; W838-T840 HydrophobicContact CZ3-CG2 3.83Å; W838-T840 PolarHBondContact O-N 2.74Å; W838-T840 VanDerWaalsContact O-N 3.14Å; T840-L842 PolarHBondContact O-N 3.11Å; T840-L842 PolarHBondContact OG1-N 3.06Å; T840-V848 PolarHBondContact N-O 2.87Å; T840-V848 PolarHBondContact OG1-O 2.79Å; T840-V850 HydrophobicContact CG2-CG2 3.92Å; T840-L853 HydrophobicContact CG2-CD1 3.72Å
841R80.6Confident80.5Confident182 Ų18264.3 Ų64.369%0.68735%0.352SS*.  trans60.520.6-168.5-50.4-176.9-178.9-164.7-0.2114.7N839 G843 G844 R845N839-R841 PolarHBondContact O-N 3.29Å; N839-R841 PolarHBondContact OD1-N 3.16Å; R841-G843 PolarHBondContact O-N 2.94Å; R841-G844 WeakPolarHBondContact O-CA 3.35Å; R841-G844 PolarHBondContact O-N 3.19Å; R841-R845 WeakPolarHBondContact CA-O 3.43Å; R841-R845 PolarHBondContact O-N 2.91Å
842L78.1Confident80.7Confident25 Ų2567.3 Ų67.313%0.13137%0.366CS..G310 helixtrans-45.1130179.3-17372.5000111.9V811 L814 L815 T840 G844 R845 V848 L853V811-L842 HydrophobicContact CG1-CB 4.22Å; V811-L842 HydrophobicContact CG1-CD1 3.74Å; V811-L842 VanDerWaalsContact O-CD1 3.28Å; V811-L842 WeakPolarHBondContact O-CD1 3.27Å; L814-L842 HydrophobicContact CB-CD1 4.32Å; L814-L842 HydrophobicContact CD2-CD1 4.2Å; L814-L842 HydrophobicContact CD2-CD2 4.2Å; L815-L842 HydrophobicContact CD1-CD1 4.29Å; L815-L842 HydrophobicContact CD2-CD1 3.59Å; L815-L842 HydrophobicContact CD2-CG 3.96Å; L815-L842 HydrophobicContact CG-CD1 3.71Å; T840-L842 PolarHBondContact O-N 3.11Å; T840-L842 PolarHBondContact OG1-N 3.06Å; L842-G844 PolarHBondContact O-N 3.46Å; L842-R845 PolarHBondContact O-N 3.29Å; L842-V848 HydrophobicContact CB-CG1 4.23Å; L842-L853 HydrophobicContact CD2-CD2 3.73Å
843G71.6Confident81.6Confident44 Ų4466.3 Ų66.345%0.45436%0.356SS..G310 helixtrans60.727.6-177.200000114.3R841 R845R841-G843 PolarHBondContact O-N 2.94Å; G843-R845 VanDerWaalsContact C-N 3.3Å; G843-R845 WeakPolarHBondContact O-CG 3.17Å; G843-R845 PolarHBondContact O-N 3.03Å
844G71.8Confident82Confident75 Ų7562.5 Ų62.577%0.77334%0.34SS*.G310 helixtrans75.95.4179.200000115.5R841 L842R841-G844 WeakPolarHBondContact O-CA 3.35Å; R841-G844 PolarHBondContact O-N 3.19Å; L842-G844 PolarHBondContact O-N 3.46Å
845R70.3Confident82.2Confident89 Ų8961.6 Ų61.634%0.33634%0.337SS..  trans-97.8132.4-170.5-52.7-153.2-165.3178.28.6113.1M722 Y725 R841 L842 G843 V848M722-R845 PolarHBondContact SD-NH1 3.4Å; Y725-R845 VanDerWaalsContact CZ-CZ 3.49Å; Y725-R845 VanDerWaalsContact OH-CD 3.25Å; Y725-R845 WeakPolarHBondContact OH-CD 3.46Å; Y725-R845 PolarHBondContact OH-NE 3.45Å; Y725-R845 VanDerWaalsContact OH-NE 3.11Å; Y725-R845 PolarHBondContact OH-NH1 3.42Å; R841-R845 WeakPolarHBondContact CA-O 3.43Å; R841-R845 PolarHBondContact O-N 2.91Å; L842-R845 PolarHBondContact O-N 3.29Å; G843-R845 VanDerWaalsContact C-N 3.3Å; G843-R845 WeakPolarHBondContact O-CG 3.17Å; G843-R845 PolarHBondContact O-N 3.03Å; R845-V848 HydrophobicContact CB-CG2 4.32Å
846S66.9Low82.5Confident92 Ų9264.8 Ų64.864%0.64335%0.346SS*.SBendtrans-66.2155.1166.247.30000111.4
847N80.4Confident82.7Confident125 Ų12563.2 Ų63.267%0.66834%0.335SS*.  trans65.644.7178.4-53.4-18.2000115.1N839 P849N839-N847 PolarHBondContact ND2-N 3.28Å; N839-N847 PolarHBondContact OD1-N 3.21Å; N847-P849 VanDerWaalsContact C-CD 3.42Å; N847-P849 WeakPolarHBondContact O-CD 3.47Å
848V83.6Confident82.4Confident13 Ų1357.6 Ų57.68%0.07930%0.304CS..  trans-114.875.6163.5-169.60000109.5N839 T840 L842 R845 L853N839-V848 PolarHBondContact OD1-N 3.36Å; N839-V848 PolarHBondContact OD1-O 3.24Å; T840-V848 PolarHBondContact N-O 2.87Å; T840-V848 PolarHBondContact OG1-O 2.79Å; L842-V848 HydrophobicContact CB-CG1 4.23Å; R845-V848 HydrophobicContact CB-CG2 4.32Å; V848-L853 HydrophobicContact CG1-CD2 3.82Å; V848-L853 HydrophobicContact CG1-CG 4.22Å
849P89.7Confident82Confident36 Ų3656.6 Ų56.623%0.23430%0.303CS..BIsolated β-bridgetrans-66.8149.5174.830.1-34.8000110.8W838 N847 K851 K852W838-P849 CarbonylContact O-C 3.57Å; W838-P849 VanDerWaalsContact O-CA 3.3Å; W838-P849 WeakPolarHBondContact O-CA 3.47Å; N847-P849 VanDerWaalsContact C-CD 3.42Å; N847-P849 WeakPolarHBondContact O-CD 3.47Å; P849-K851 PolarHBondContact O-N 3.28Å; P849-K851 VanDerWaalsContact O-N 3.09Å; P849-K852 HydrophobicContact CG-CB 4.07Å; P849-K852 WeakPolarHBondContact O-CB 3.42Å; P849-K852 PolarHBondContact O-N 3.21Å
850V87.2Confident81.9Confident0 Ų056.8 Ų56.80%030%0.301CS..Hα-helixtrans-51.3-37.4178.8-169.90000112V827 L830 W831 P836 W838 T840 K852 L853 V854V827-V850 HydrophobicContact CG1-CG1 3.77Å; V827-V850 WeakPolarHBondContact O-CG1 3.19Å; L830-V850 HydrophobicContact CB-CG1 4.07Å; L830-V850 HydrophobicContact CB-CG2 4.2Å; W831-V850 HydrophobicContact CB-CG1 3.88Å; P836-V850 PolarHBondContact O-N 2.86Å; W838-V850 HydrophobicContact CB-CG2 4.17Å; W838-V850 HydrophobicContact CE3-CG2 3.82Å; W838-V850 WeakPolarHBondContact O-CG2 3.39Å; W838-V850 PolarHBondContact O-N 2.77Å; T840-V850 HydrophobicContact CG2-CG2 3.92Å; V850-K852 PolarHBondContact O-N 2.88Å; V850-K852 VanDerWaalsContact O-N 3.17Å; V850-L853 WeakPolarHBondContact O-CA 3.36Å; V850-L853 WeakPolarHBondContact O-CB 3.43Å; V850-L853 PolarHBondContact O-N 2.73Å; V850-V854 PolarHBondContact O-N 3.43Å
851K87.6Confident81.9Confident85 Ų8556.3 Ų56.337%0.3730%0.299SS..Hα-helixtrans-51.8-39.1175.4-179.5178.3174.2-174.20113.7W831 P836 P849 L853 V854 E855 L877W831-K851 HydrophobicContact CZ3-CB 4.03Å; W831-K851 HydrophobicContact CZ3-CG 4.15Å; P836-K851 HydrophobicContact CB-CB 4.05Å; P836-K851 WeakPolarHBondContact O-CB 3.1Å; P836-K851 PolarHBondContact O-N 2.94Å; P849-K851 PolarHBondContact O-N 3.28Å; P849-K851 VanDerWaalsContact O-N 3.09Å; K851-L853 VanDerWaalsContact C-N 3.29Å; K851-L853 PolarHBondContact O-N 3.22Å; K851-V854 PolarHBondContact O-N 2.85Å; K851-E855 WeakPolarHBondContact CE-OE1 3.29Å; K851-E855 WeakPolarHBondContact O-CG 3.36Å; K851-E855 PolarHBondContact O-N 3.09Å; K851-L877 HydrophobicContact CG-CD2 3.96Å
852K87.6Confident81.7Confident108 Ų10848.2 Ų48.247%0.4727%0.27SS..Hα-helixtrans-70.6-26.8179.9-170.5176.6179.1-179.60112.4P849 V850 E856P849-K852 HydrophobicContact CG-CB 4.07Å; P849-K852 WeakPolarHBondContact O-CB 3.42Å; P849-K852 PolarHBondContact O-N 3.21Å; V850-K852 PolarHBondContact O-N 2.88Å; V850-K852 VanDerWaalsContact O-N 3.17Å; K852-E856 PolarHBondContact O-N 3.39Å; K852-E856 VanDerWaalsContact O-N 3.14Å
853L89.3Confident81.5Confident12 Ų1253.1 Ų53.16%0.06329%0.287CS..Hα-helixtrans-75.7-38.9172.6-55.7176.5000110.7L814 V827 T840 L842 V848 V850 K851 E855 E856 I857L814-L853 HydrophobicContact CD2-CD1 3.79Å; V827-L853 HydrophobicContact CB-CB 4.47Å; V827-L853 HydrophobicContact CG1-CB 3.68Å; V827-L853 HydrophobicContact CG2-CB 3.85Å; V827-L853 HydrophobicContact CG2-CD1 4.07Å; T840-L853 HydrophobicContact CG2-CD1 3.72Å; L842-L853 HydrophobicContact CD2-CD2 3.73Å; V848-L853 HydrophobicContact CG1-CD2 3.82Å; V848-L853 HydrophobicContact CG1-CG 4.22Å; V850-L853 WeakPolarHBondContact O-CA 3.36Å; V850-L853 WeakPolarHBondContact O-CB 3.43Å; V850-L853 PolarHBondContact O-N 2.73Å; K851-L853 VanDerWaalsContact C-N 3.29Å; K851-L853 PolarHBondContact O-N 3.22Å; L853-E855 VanDerWaalsContact C-N 3.33Å; L853-E855 PolarHBondContact O-N 3.14Å; L853-E856 PolarHBondContact O-N 3.19Å; L853-E856 VanDerWaalsContact O-N 3.11Å; L853-I857 WeakPolarHBondContact O-CD1 3.3Å; L853-I857 WeakPolarHBondContact O-CG1 3.23Å; L853-I857 PolarHBondContact O-N 3.09Å
854V86.1Confident81.7Confident1 Ų156 Ų561%0.00629%0.289CS..Hα-helixtrans-64-37.1170.8-178.70000111.5V827 W831 V850 K851 E856 I857 Y858 T873 L876 L877V827-V854 HydrophobicContact CG1-CG2 3.55Å; W831-V854 HydrophobicContact CD2-CG2 4.42Å; W831-V854 HydrophobicContact CE3-CB 4.25Å; W831-V854 HydrophobicContact CE3-CG2 3.54Å; W831-V854 HydrophobicContact CZ3-CB 4.13Å; W831-V854 HydrophobicContact CZ3-CG1 4.41Å; W831-V854 HydrophobicContact CZ3-CG2 3.95Å; V850-V854 PolarHBondContact O-N 3.43Å; K851-V854 PolarHBondContact O-N 2.85Å; V854-E856 VanDerWaalsContact C-N 3.31Å; V854-E856 PolarHBondContact O-N 3.23Å; V854-I857 PolarHBondContact O-N 3.31Å; V854-Y858 VanDerWaalsContact O-CB 3.23Å; V854-Y858 WeakPolarHBondContact O-CB 3.29Å; V854-Y858 PolarHBondContact O-N 2.73Å; V854-T873 HydrophobicContact CG1-CG2 4.04Å; V854-L876 HydrophobicContact CG1-CB 4.46Å; V854-L877 HydrophobicContact CB-CD2 4.18Å; V854-L877 HydrophobicContact CG1-CD1 4.18Å; V854-L877 HydrophobicContact CG1-CD2 3.92Å; V854-L877 HydrophobicContact CG1-CG 3.79Å
855E86.9Confident81.8Confident85 Ų8556.5 Ų56.540%0.39727%0.267SS..Hα-helixtrans-61.2-36.6170.7-72.6168.7179.100112.2K851 L853 E859 L877K851-E855 WeakPolarHBondContact CE-OE1 3.29Å; K851-E855 WeakPolarHBondContact O-CG 3.36Å; K851-E855 PolarHBondContact O-N 3.09Å; L853-E855 VanDerWaalsContact C-N 3.33Å; L853-E855 PolarHBondContact O-N 3.14Å; E855-E859 PolarHBondContact O-N 3.03Å; E855-E859 VanDerWaalsContact O-N 3.16Å; E855-L877 HydrophobicContact CG-CD1 3.98Å; E855-L877 HydrophobicContact CG-CD2 3.69Å
856E86.7Confident82.3Confident89 Ų8953.5 Ų53.542%0.41626%0.26SS..Hα-helixtrans-74-42.5175.8-168.7180125.100113K852 L853 V854 E859 K860K852-E856 PolarHBondContact O-N 3.39Å; K852-E856 VanDerWaalsContact O-N 3.14Å; L853-E856 PolarHBondContact O-N 3.19Å; L853-E856 VanDerWaalsContact O-N 3.11Å; V854-E856 VanDerWaalsContact C-N 3.31Å; V854-E856 PolarHBondContact O-N 3.23Å; E856-E859 WeakPolarHBondContact O-CB 3.39Å; E856-E859 PolarHBondContact O-N 2.9Å; E856-E859 VanDerWaalsContact O-N 3.13Å; E856-K860 HydrophobicContact CG-CD 4.44Å; E856-K860 WeakPolarHBondContact O-CG 3.09Å; E856-K860 PolarHBondContact O-N 2.92Å; E856-K860 WeakPolarHBondContact OE1-CE 3.49Å; E856-K860 IonicContact OE1-NZ 3.31Å; E856-K860 PolarHBondContact OE1-NZ 3.45Å
857I86.5Confident83Confident7 Ų750.3 Ų50.34%0.03623%0.233CC..Hα-helixtrans-63.9-42.8175.9-68154.4000110.1L820 Q823 A824 V827 L853 V854 E859 K860 A861 L869 T873L820-I857 HydrophobicContact CD1-CG2 4.07Å; Q823-I857 WeakPolarHBondContact O-CD1 3.3Å; A824-I857 HydrophobicContact CB-CG2 4.08Å; V827-I857 HydrophobicContact CB-CD1 3.49Å; V827-I857 VanDerWaalsContact CB-CD1 3.49Å; V827-I857 HydrophobicContact CG1-CD1 3.73Å; V827-I857 HydrophobicContact CG2-CD1 3.66Å; L853-I857 WeakPolarHBondContact O-CD1 3.3Å; L853-I857 WeakPolarHBondContact O-CG1 3.23Å; L853-I857 PolarHBondContact O-N 3.09Å; V854-I857 PolarHBondContact O-N 3.31Å; I857-E859 VanDerWaalsContact C-N 3.29Å; I857-E859 PolarHBondContact O-N 2.89Å; I857-K860 PolarHBondContact O-N 3.47Å; I857-K860 VanDerWaalsContact O-N 3.15Å; I857-A861 WeakPolarHBondContact O-CB 3.35Å; I857-A861 PolarHBondContact O-N 3.03Å; I857-L869 HydrophobicContact CG2-CD1 4.07Å; I857-L869 HydrophobicContact CG2-CD2 3.96Å; I857-L869 HydrophobicContact CG2-CG 4.1Å; I857-T873 HydrophobicContact CG2-CG2 3.96Å
858Y83.7Confident82.9Confident14 Ų1447.6 Ų47.66%0.05521%0.214CC..Hα-helixtrans-53.9-45.4170.5166.6-87000111.2Y589 H592 V854 S862 V870 T873 A874 L877 K879Y589-Y858 WeakPolarHBondContact CB-OH 3.19Å; H592-Y858 PolarHBondContact NE2-OH 3.23Å; V854-Y858 VanDerWaalsContact O-CB 3.23Å; V854-Y858 WeakPolarHBondContact O-CB 3.29Å; V854-Y858 PolarHBondContact O-N 2.73Å; Y858-S862 WeakPolarHBondContact O-CB 3.14Å; Y858-S862 PolarHBondContact O-N 2.91Å; Y858-S862 PolarHBondContact O-OG 2.92Å; Y858-V870 HydrophobicContact CE2-CG1 4.26Å; Y858-T873 WeakPolarHBondContact CA-OG1 3.45Å; Y858-T873 WeakPolarHBondContact CB-OG1 3.35Å; Y858-A874 HydrophobicContact CD2-CB 4.14Å; Y858-A874 HydrophobicContact CE2-CB 4.01Å; Y858-L877 HydrophobicContact CG-CD1 4.2Å; Y858-K879 HydrophobicContact CD2-CD 4.31Å; Y858-K879 VanDerWaalsContact CE1-NZ 3.34Å; Y858-K879 HydrophobicContact CE2-CD 3.72Å; Y858-K879 VanDerWaalsContact CZ-CE 3.42Å; Y858-K879 PolarHBondContact OH-NZ 3.28Å
859E79.7Confident82.6Confident53 Ų5347 Ų4725%0.24821%0.21CC..Hα-helixtrans-65.5-38176.3-85.5-167.4-160.100113.4R710 E855 E856 I857 R863R710-E859 IonicContact CZ-OE1 3.74Å; R710-E859 IonicContact CZ-OE2 3.06Å; R710-E859 IonicContact NE-OE1 2.69Å; R710-E859 IonicContact NH2-OE1 2.76Å; R710-E859 PolarHBondContact NH2-OE1 3.48Å; R710-E859 IonicContact NH2-OE2 3.27Å; R710-E859 PolarHBondContact NH2-OE2 3.45Å; E855-E859 PolarHBondContact O-N 3.03Å; E855-E859 VanDerWaalsContact O-N 3.16Å; E856-E859 WeakPolarHBondContact O-CB 3.39Å; E856-E859 PolarHBondContact O-N 2.9Å; E856-E859 VanDerWaalsContact O-N 3.13Å; I857-E859 VanDerWaalsContact C-N 3.29Å; I857-E859 PolarHBondContact O-N 2.89Å; E859-R863 WeakPolarHBondContact O-CG 3.43Å; E859-R863 PolarHBondContact O-N 3.21Å; E859-R863 IonicContact OE2-CZ 3.97Å; E859-R863 IonicContact OE2-NH1 3.29Å; E859-R863 IonicContact OE2-NH2 2.98Å; E859-R863 PolarHBondContact OE2-NH2 3.22Å
860K82.6Confident82.2Confident47 Ų4745.2 Ų45.220%0.20420%0.199CC..Hα-helixtrans-68-56.4177.8-73.5169.6171.9165.40111L820 E856 I857 S862 R863 E864L820-K860 HydrophobicContact CD1-CB 3.57Å; L820-K860 HydrophobicContact CD1-CD 3.82Å; L820-K860 HydrophobicContact CD1-CG 4.34Å; L820-K860 HydrophobicContact CD2-CB 4.04Å; L820-K860 HydrophobicContact CG-CB 4.47Å; E856-K860 HydrophobicContact CG-CD 4.44Å; E856-K860 WeakPolarHBondContact O-CG 3.09Å; E856-K860 PolarHBondContact O-N 2.92Å; E856-K860 WeakPolarHBondContact OE1-CE 3.49Å; E856-K860 IonicContact OE1-NZ 3.31Å; E856-K860 PolarHBondContact OE1-NZ 3.45Å; I857-K860 PolarHBondContact O-N 3.47Å; I857-K860 VanDerWaalsContact O-N 3.15Å; K860-S862 PolarHBondContact O-N 3.38Å; K860-S862 VanDerWaalsContact O-N 3.15Å; K860-R863 WeakPolarHBondContact O-CA 3.5Å; K860-R863 WeakPolarHBondContact O-CB 3.05Å; K860-R863 PolarHBondContact O-N 3.25Å; K860-E864 PolarHBondContact O-N 3.46Å
861A82.2Confident81.8Confident0 Ų045.6 Ų45.60%020%0.2CC..Hα-helixtrans-55.7-34.7175.800000112.7L820 I857 R863 R865 C866 L869 V870L820-A861 HydrophobicContact CD2-CB 4.01Å; I857-A861 WeakPolarHBondContact O-CB 3.35Å; I857-A861 PolarHBondContact O-N 3.03Å; A861-R863 VanDerWaalsContact C-N 3.34Å; A861-R863 PolarHBondContact O-N 3.3Å; A861-R865 WeakPolarHBondContact O-CA 3.08Å; A861-R865 PolarHBondContact O-N 3.16Å; A861-C866 HydrophobicContact CB-CB 4.21Å; A861-C866 PolarHBondContact O-N 2.86Å; A861-C866 VanDerWaalsContact O-N 3.07Å; A861-L869 HydrophobicContact CB-CB 4.03Å; A861-L869 HydrophobicContact CB-CD2 3.93Å; A861-L869 HydrophobicContact CB-CG 3.81Å; A861-V870 VanDerWaalsContact C-CG2 3.41Å; A861-V870 HydrophobicContact CB-CG2 3.82Å; A861-V870 WeakPolarHBondContact O-CG2 3.07Å
862S77.3Confident81.3Confident12 Ų1243.6 Ų43.68%0.08419%0.19CC..Hα-helixtrans-67.3-29.8175.1-68.60000114H592 Y858 K860H592-S862 WeakPolarHBondContact CD2-CB 3.41Å; H592-S862 PolarHBondContact CD2-OG 2.87Å; H592-S862 VanDerWaalsContact CD2-OG 3.31Å; Y858-S862 WeakPolarHBondContact O-CB 3.14Å; Y858-S862 PolarHBondContact O-N 2.91Å; Y858-S862 PolarHBondContact O-OG 2.92Å; K860-S862 PolarHBondContact O-N 3.38Å; K860-S862 VanDerWaalsContact O-N 3.15Å
863R74.2Confident80.9Confident128 Ų12838.5 Ų38.548%0.48317%0.168SC..Hα-helixtrans-78.4-49174.2-68.8168.4-172.3119.212110.6A632 E859 K860 A861 R865A632-R863 WeakPolarHBondContact CB-O 3.39Å; E859-R863 WeakPolarHBondContact O-CG 3.43Å; E859-R863 PolarHBondContact O-N 3.21Å; E859-R863 IonicContact OE2-CZ 3.97Å; E859-R863 IonicContact OE2-NH1 3.29Å; E859-R863 IonicContact OE2-NH2 2.98Å; E859-R863 PolarHBondContact OE2-NH2 3.22Å; K860-R863 WeakPolarHBondContact O-CA 3.5Å; K860-R863 WeakPolarHBondContact O-CB 3.05Å; K860-R863 PolarHBondContact O-N 3.25Å; A861-R863 VanDerWaalsContact C-N 3.34Å; A861-R863 PolarHBondContact O-N 3.3Å; R863-R865 PolarHBondContact O-N 3.21Å
864E75.9Confident80.5Confident106 Ų10637.9 Ų37.950%0.49517%0.165SC..Hα-helixtrans-72.5-10.5-177.7-70.7160.6-124.700113.1A632 L820 K860 C866A632-E864 HydrophobicContact CB-CG 4.39Å; L820-E864 WeakPolarHBondContact CD2-OE2 3.26Å; K860-E864 PolarHBondContact O-N 3.46Å; E864-C866 VanDerWaalsContact C-N 3.28Å; E864-C866 PolarHBondContact O-N 2.74Å
865R74.5Confident79.9Confident84 Ų8437.9 Ų37.932%0.31717%0.165SC..THydrogen-bonded Turntrans62.430.9-179.4-56.7-179.5-175.8135.36.2113.7A861 R863 W867A861-R865 WeakPolarHBondContact O-CA 3.08Å; A861-R865 PolarHBondContact O-N 3.16Å; R863-R865 PolarHBondContact O-N 3.21Å; R865-W867 VanDerWaalsContact C-N 3.3Å; R865-W867 HydrophobicContact CB-CH2 4.27Å; R865-W867 HydrophobicContact CB-CZ2 3.65Å; R865-W867 HydrophobicContact CG-CH2 4.11Å; R865-W867 HydrophobicContact CG-CZ2 3.76Å; R865-W867 PolarHBondContact O-N 2.8Å; R865-W867 PolarHBondContact O-NE1 2.73Å
866C80.2Confident79.3Confident27 Ų2734.2 Ų34.218%0.18215%0.148CC..  trans-75.580.9172.5-174.10000109.7A861 E864 W868 L869 V870A861-C866 HydrophobicContact CB-CB 4.21Å; A861-C866 PolarHBondContact O-N 2.86Å; A861-C866 VanDerWaalsContact O-N 3.07Å; E864-C866 VanDerWaalsContact C-N 3.28Å; E864-C866 PolarHBondContact O-N 2.74Å; C866-W868 PolarHBondContact O-N 2.96Å; C866-W868 VanDerWaalsContact SG-CD1 3.58Å; C866-W868 PolarHBondContact SG-NE1 2.89Å; C866-L869 HydrophobicContact CB-CB 4.35Å; C866-L869 PolarHBondContact O-N 2.87Å; C866-L869 VanDerWaalsContact O-N 3.13Å; C866-V870 WeakPolarHBondContact O-CG2 3.28Å; C866-V870 PolarHBondContact O-N 2.78Å
867W81Confident79Confident24 Ų2431.2 Ų31.29%0.09114%0.135CC..Hα-helixtrans-64-35.1-163.3-60116000114.7H592 D593 R865 L869 V870 R871 N1043 P1046H592-W867 HydrophobicContact CB-CH2 4.19Å; H592-W867 HydrophobicContact CB-CZ3 4.24Å; D593-W867 HydrophobicContact CB-CH2 3.81Å; D593-W867 HydrophobicContact CB-CZ2 4.1Å; R865-W867 VanDerWaalsContact C-N 3.3Å; R865-W867 HydrophobicContact CB-CH2 4.27Å; R865-W867 HydrophobicContact CB-CZ2 3.65Å; R865-W867 HydrophobicContact CG-CH2 4.11Å; R865-W867 HydrophobicContact CG-CZ2 3.76Å; R865-W867 PolarHBondContact O-N 2.8Å; R865-W867 PolarHBondContact O-NE1 2.73Å; W867-L869 VanDerWaalsContact C-N 3.3Å; W867-L869 PolarHBondContact O-N 3.16Å; W867-V870 HydrophobicContact CE3-CG2 4.38Å; W867-V870 PolarHBondContact O-N 3.38Å; W867-R871 WeakPolarHBondContact O-CB 3.09Å; W867-R871 VanDerWaalsContact O-CG 3.29Å; W867-R871 WeakPolarHBondContact O-CG 3.18Å; W867-R871 PolarHBondContact O-N 3.21Å; W867-N1043 VanDerWaalsContact CD1-O 3.32Å; W867-P1046 HydrophobicContact CD2-CG 4.48Å; W867-P1046 HydrophobicContact CE3-CG 4.07Å; W867-P1046 HydrophobicContact CZ3-CG 4.12Å
868W78.3Confident78.4Confident68 Ų6836.9 Ų36.926%0.25816%0.159SC..Hα-helixtrans-60-44.3175.275.5-99000110.7E821 C866 R871 Y872 T1042E821-W868 HydrophobicContact CG-CZ2 4.35Å; C866-W868 PolarHBondContact O-N 2.96Å; C866-W868 VanDerWaalsContact SG-CD1 3.58Å; C866-W868 PolarHBondContact SG-NE1 2.89Å; W868-R871 PolarHBondContact O-N 3.1Å; W868-Y872 WeakPolarHBondContact O-CB 3.39Å; W868-Y872 PolarHBondContact O-N 2.8Å; W868-T1042 WeakPolarHBondContact CA-O 3.49Å; W868-T1042 PolarHBondContact N-O 2.91Å
869L77.4Confident77.9Confident0 Ų038.2 Ų38.20%017%0.166CC..Hα-helixtrans-73.6-35.4-179.2-175.856.7000112L820 A824 I857 A861 C866 W867 T873L820-L869 HydrophobicContact CD1-CD2 4.44Å; L820-L869 HydrophobicContact CD2-CD2 4.05Å; L820-L869 HydrophobicContact CG-CD2 3.86Å; A824-L869 HydrophobicContact CB-CD1 3.6Å; A824-L869 HydrophobicContact CB-CD2 3.85Å; A824-L869 HydrophobicContact CB-CG 4.4Å; I857-L869 HydrophobicContact CG2-CD1 4.07Å; I857-L869 HydrophobicContact CG2-CD2 3.96Å; I857-L869 HydrophobicContact CG2-CG 4.1Å; A861-L869 HydrophobicContact CB-CB 4.03Å; A861-L869 HydrophobicContact CB-CD2 3.93Å; A861-L869 HydrophobicContact CB-CG 3.81Å; C866-L869 HydrophobicContact CB-CB 4.35Å; C866-L869 PolarHBondContact O-N 2.87Å; C866-L869 VanDerWaalsContact O-N 3.13Å; W867-L869 VanDerWaalsContact C-N 3.3Å; W867-L869 PolarHBondContact O-N 3.16Å; L869-T873 HydrophobicContact CD1-CG2 3.83Å; L869-T873 HydrophobicContact CG-CG2 4.43Å; L869-T873 WeakPolarHBondContact O-CB 3.29Å; L869-T873 WeakPolarHBondContact O-CG2 3.41Å; L869-T873 PolarHBondContact O-N 2.98Å; L869-T873 PolarHBondContact O-OG1 2.92Å
870V81.4Confident77.2Confident0 Ų038.4 Ų38.40%017%0.17CC..Hα-helixtrans-57.6-49.1168.5174.40000110.4Y589 Y858 A861 C866 W867 T873 A874Y589-V870 HydrophobicContact CD2-CG1 3.95Å; Y589-V870 HydrophobicContact CG-CG1 4.24Å; Y858-V870 HydrophobicContact CE2-CG1 4.26Å; A861-V870 VanDerWaalsContact C-CG2 3.41Å; A861-V870 HydrophobicContact CB-CG2 3.82Å; A861-V870 WeakPolarHBondContact O-CG2 3.07Å; C866-V870 WeakPolarHBondContact O-CG2 3.28Å; C866-V870 PolarHBondContact O-N 2.78Å; W867-V870 HydrophobicContact CE3-CG2 4.38Å; W867-V870 PolarHBondContact O-N 3.38Å; V870-T873 PolarHBondContact O-OG1 3.49Å; V870-A874 WeakPolarHBondContact O-CB 3.39Å; V870-A874 PolarHBondContact O-N 3.42Å
871R79.4Confident76.5Confident7 Ų736.2 Ų36.23%0.02616%0.161CC..Hα-helixtrans-63-49.8-179.3-72.4173.9172.2115.58.4111.5W867 W868 A874 G875 L965 E969 T1042 L1044W867-R871 WeakPolarHBondContact O-CB 3.09Å; W867-R871 VanDerWaalsContact O-CG 3.29Å; W867-R871 WeakPolarHBondContact O-CG 3.18Å; W867-R871 PolarHBondContact O-N 3.21Å; W868-R871 PolarHBondContact O-N 3.1Å; R871-A874 PolarHBondContact O-N 3.5Å; R871-G875 PolarHBondContact O-N 3.39Å; R871-L965 HydrophobicContact CB-CD2 4Å; R871-L965 HydrophobicContact CG-CD2 4.08Å; R871-L965 WeakPolarHBondContact O-CD2 3.43Å; R871-E969 IonicContact CZ-OE1 3.56Å; R871-E969 VanDerWaalsContact CZ-OE1 3.29Å; R871-E969 IonicContact NE-OE1 3.53Å; R871-E969 PolarHBondContact NE-OE1 2.78Å; R871-E969 IonicContact NH2-OE1 2.71Å; R871-E969 PolarHBondContact NH2-OE1 3.44Å; R871-E969 IonicContact NH2-OE2 3.41Å; R871-E969 PolarHBondContact NH2-OE2 2.94Å; R871-E969 VanDerWaalsContact NH2-OE2 3.1Å; R871-T1042 PolarHBondContact NH1-O 2.96Å; R871-L1044 PolarHBondContact NH1-O 2.63Å; R871-L1044 PolarHBondContact NH2-O 2.89Å; R871-L1044 VanDerWaalsContact NH2-O 3.14Å
872Y76.8Confident75.7Confident43 Ų4339 Ų3917%0.16917%0.174CC..Hα-helixtrans-63.6-46-177.2-169.7-123.1000112.6L828 W868 G875 L876 F961L828-Y872 HydrophobicContact CD1-CD1 3.98Å; L828-Y872 HydrophobicContact CD1-CE1 3.67Å; L828-Y872 HydrophobicContact CD2-CD1 3.94Å; L828-Y872 HydrophobicContact CD2-CE1 3.51Å; L828-Y872 HydrophobicContact CG-CE1 4.15Å; W868-Y872 WeakPolarHBondContact O-CB 3.39Å; W868-Y872 PolarHBondContact O-N 2.8Å; Y872-G875 PolarHBondContact O-N 3.43Å; Y872-L876 HydrophobicContact CD1-CD1 4.11Å; Y872-L876 HydrophobicContact CE1-CD1 3.93Å; Y872-L876 WeakPolarHBondContact O-CG 3.41Å; Y872-L876 PolarHBondContact O-N 3.47Å; Y872-F961 HydrophobicContact CE2-CB 4.47Å
873T79.2Confident75.5Confident1 Ų140.5 Ų40.51%0.00618%0.18CC..Hα-helixtrans-68.6-36.1176.356.10000112.8V854 I857 Y858 L869 V870 G875 L876 L877V854-T873 HydrophobicContact CG1-CG2 4.04Å; I857-T873 HydrophobicContact CG2-CG2 3.96Å; Y858-T873 WeakPolarHBondContact CA-OG1 3.45Å; Y858-T873 WeakPolarHBondContact CB-OG1 3.35Å; L869-T873 HydrophobicContact CD1-CG2 3.83Å; L869-T873 HydrophobicContact CG-CG2 4.43Å; L869-T873 WeakPolarHBondContact O-CB 3.29Å; L869-T873 WeakPolarHBondContact O-CG2 3.41Å; L869-T873 PolarHBondContact O-N 2.98Å; L869-T873 PolarHBondContact O-OG1 2.92Å; V870-T873 PolarHBondContact O-OG1 3.49Å; T873-G875 VanDerWaalsContact C-N 3.35Å; T873-G875 PolarHBondContact O-N 3.28Å; T873-L876 PolarHBondContact O-N 2.8Å; T873-L877 WeakPolarHBondContact O-CB 3.05Å; T873-L877 VanDerWaalsContact O-CG 3.24Å; T873-L877 WeakPolarHBondContact O-CG 3.16Å; T873-L877 PolarHBondContact O-N 3.31Å
874A79.8Confident75.8Confident0 Ų034.4 Ų34.40%016%0.157CC..Hα-helixtrans-62.9-39.8173.900000112.4Y858 V870 R871 L877 K878 K879 L965Y858-A874 HydrophobicContact CD2-CB 4.14Å; Y858-A874 HydrophobicContact CE2-CB 4.01Å; V870-A874 WeakPolarHBondContact O-CB 3.39Å; V870-A874 PolarHBondContact O-N 3.42Å; R871-A874 PolarHBondContact O-N 3.5Å; A874-L877 CarbonylContact O-C 3.51Å; A874-L877 PolarHBondContact O-N 3.08Å; A874-K878 PolarHBondContact O-N 3.32Å; A874-K878 VanDerWaalsContact O-N 3.1Å; A874-K879 HydrophobicContact CB-CB 4.27Å; A874-K879 HydrophobicContact CB-CD 4.04Å; A874-K879 PolarHBondContact O-N 3.01Å; A874-L965 HydrophobicContact CB-CD2 3.77Å
875G74.2Confident75.9Confident0 Ų029.9 Ų29.90%014%0.137CC..Hα-helixtrans-64.2-44.9174.200000113.4R871 Y872 T873 L877 K878 F961R871-G875 PolarHBondContact O-N 3.39Å; Y872-G875 PolarHBondContact O-N 3.43Å; T873-G875 VanDerWaalsContact C-N 3.35Å; T873-G875 PolarHBondContact O-N 3.28Å; G875-L877 PolarHBondContact O-N 2.95Å; G875-K878 VanDerWaalsContact O-CA 3.31Å; G875-K878 WeakPolarHBondContact O-CA 3.29Å; G875-K878 PolarHBondContact O-N 3.48Å; G875-F961 WeakPolarHBondContact CA-O 3.48Å
876L75.5Confident75.9Confident8 Ų828.5 Ų28.54%0.04214%0.136CC..Hα-helixtrans-61.4-42.7174.5-71.2167.2000112.5L828 W831 V854 Y872 T873 K878 F961L828-L876 HydrophobicContact CD2-CD1 3.24Å; W831-L876 HydrophobicContact CH2-CB 4.23Å; W831-L876 VanDerWaalsContact CH2-O 3.24Å; W831-L876 WeakPolarHBondContact CH2-O 3.36Å; W831-L876 HydrophobicContact CZ2-CB 4.03Å; W831-L876 HydrophobicContact CZ2-CD2 4.36Å; W831-L876 VanDerWaalsContact CZ2-O 3.25Å; W831-L876 WeakPolarHBondContact CZ2-O 3.41Å; V854-L876 HydrophobicContact CG1-CB 4.46Å; Y872-L876 HydrophobicContact CD1-CD1 4.11Å; Y872-L876 HydrophobicContact CE1-CD1 3.93Å; Y872-L876 WeakPolarHBondContact O-CG 3.41Å; Y872-L876 PolarHBondContact O-N 3.47Å; T873-L876 PolarHBondContact O-N 2.8Å; L876-K878 PolarHBondContact O-N 3.21Å; L876-F961 HydrophobicContact CD2-CB 4.19Å; L876-F961 HydrophobicContact CD2-CD2 3.6Å; L876-F961 HydrophobicContact CD2-CE2 4.08Å; L876-F961 HydrophobicContact CD2-CG 3.85Å; L876-F961 HydrophobicContact CG-CB 4.32Å; L876-F961 HydrophobicContact CG-CG 4.46Å
877L78.8Confident76Confident27 Ų2727.4 Ų27.414%0.14113%0.129CC..THydrogen-bonded Turntrans-70.3-4.2172.3-64.9173.5000113.3W831 K851 V854 E855 Y858 T873 A874 G875 K879W831-L877 HydrophobicContact CZ3-CD2 4.36Å; K851-L877 HydrophobicContact CG-CD2 3.96Å; V854-L877 HydrophobicContact CB-CD2 4.18Å; V854-L877 HydrophobicContact CG1-CD1 4.18Å; V854-L877 HydrophobicContact CG1-CD2 3.92Å; V854-L877 HydrophobicContact CG1-CG 3.79Å; E855-L877 HydrophobicContact CG-CD1 3.98Å; E855-L877 HydrophobicContact CG-CD2 3.69Å; Y858-L877 HydrophobicContact CG-CD1 4.2Å; T873-L877 WeakPolarHBondContact O-CB 3.05Å; T873-L877 VanDerWaalsContact O-CG 3.24Å; T873-L877 WeakPolarHBondContact O-CG 3.16Å; T873-L877 PolarHBondContact O-N 3.31Å; A874-L877 CarbonylContact O-C 3.51Å; A874-L877 PolarHBondContact O-N 3.08Å; G875-L877 PolarHBondContact O-N 2.95Å; L877-K879 HydrophobicContact CB-CG 4.36Å; L877-K879 PolarHBondContact O-N 3.44Å
878K75Confident76.3Confident125 Ų12526.3 Ų26.354%0.54313%0.125SC..THydrogen-bonded Turntrans53.135.7-176.7-60179.2-178.3177.10112.6A874 G875 L876A874-K878 PolarHBondContact O-N 3.32Å; A874-K878 VanDerWaalsContact O-N 3.1Å; G875-K878 VanDerWaalsContact O-CA 3.31Å; G875-K878 WeakPolarHBondContact O-CA 3.29Å; G875-K878 PolarHBondContact O-N 3.48Å; L876-K878 PolarHBondContact O-N 3.21Å
879K73.3Confident76.3Confident43 Ų4323.2 Ų23.219%0.18711%0.113CC..  trans-54.3145.1176.6-82.5-177.3167.7-118.80110.2S586 Y858 A874 L877S586-K879 PolarHBondContact O-NZ 3.47Å; Y858-K879 HydrophobicContact CD2-CD 4.31Å; Y858-K879 VanDerWaalsContact CE1-NZ 3.34Å; Y858-K879 HydrophobicContact CE2-CD 3.72Å; Y858-K879 VanDerWaalsContact CZ-CE 3.42Å; Y858-K879 PolarHBondContact OH-NZ 3.28Å; A874-K879 HydrophobicContact CB-CB 4.27Å; A874-K879 HydrophobicContact CB-CD 4.04Å; A874-K879 PolarHBondContact O-N 3.01Å; L877-K879 HydrophobicContact CB-CG 4.36Å; L877-K879 PolarHBondContact O-N 3.44Å
880V65.1Low76.3Confident56 Ų5623.3 Ų23.334%0.33911%0.114SC..  trans-129.1133.4-1751710000108.4L920V880-L920 HydrophobicContact CB-CD1 4.17Å; V880-L920 HydrophobicContact CG1-CD1 3.67Å; V880-L920 HydrophobicContact CG1-CD2 4.35Å; V880-L920 HydrophobicContact CG2-CD1 3.37Å; V880-L920 HydrophobicContact CG2-CD2 4.04Å; V880-L920 HydrophobicContact CG2-CG 4.35Å
881T67.3Low76.5Confident2 Ų223.3 Ų23.31%0.01211%0.114CC..  trans-99110.7174.2-62.80000109.2F588 I883 L884 I972F588-T881 HydrophobicContact CD1-CG2 3.86Å; F588-T881 HydrophobicContact CE1-CG2 3.83Å; T881-I883 HydrophobicContact CG2-CB 3.65Å; T881-I883 HydrophobicContact CG2-CD1 4.34Å; T881-I883 HydrophobicContact CG2-CG1 4.06Å; T881-I883 PolarHBondContact O-N 2.98Å; T881-I883 VanDerWaalsContact O-N 3.16Å; T881-L884 WeakPolarHBondContact O-CB 3.4Å; T881-L884 PolarHBondContact O-N 3.17Å; T881-I972 HydrophobicContact CG2-CD1 3.6Å; T881-I972 HydrophobicContact CG2-CG1 4.49Å
882E64.7Low76.5Confident58 Ų5823 Ų2327%0.27111%0.113SC..Hα-helixtrans-58-28.7175.8-69.7166.314800112.2Q581 R587 F588 L884 T885Q581-E882 PolarHBondContact NE2-OE2 3.33Å; R587-E882 IonicContact CZ-OE2 2.91Å; R587-E882 IonicContact NH1-OE1 3.87Å; R587-E882 PolarHBondContact NH1-OE1 2.83Å; R587-E882 IonicContact NH1-OE2 3.24Å; R587-E882 PolarHBondContact NH1-OE2 2.9Å; F588-E882 HydrophobicContact CZ-CB 4.49Å; E882-L884 PolarHBondContact O-N 3.13Å; E882-T885 PolarHBondContact O-N 3.4Å
883I73.3Confident76.3Confident43 Ų4321 Ų2122%0.22111%0.106CC..Hα-helixtrans-61.2-24.9173.3-46.4170.6000111.7F588 T881 T885 N886 A887F588-I883 HydrophobicContact CD1-CD1 4Å; F588-I883 HydrophobicContact CD1-CG1 4.41Å; F588-I883 HydrophobicContact CE1-CD1 3.92Å; F588-I883 HydrophobicContact CE1-CG1 3.86Å; F588-I883 HydrophobicContact CG-CD1 4.43Å; F588-I883 HydrophobicContact CZ-CD1 4.29Å; F588-I883 HydrophobicContact CZ-CG1 4.16Å; T881-I883 HydrophobicContact CG2-CB 3.65Å; T881-I883 HydrophobicContact CG2-CD1 4.34Å; T881-I883 HydrophobicContact CG2-CG1 4.06Å; T881-I883 PolarHBondContact O-N 2.98Å; T881-I883 VanDerWaalsContact O-N 3.16Å; I883-T885 PolarHBondContact O-N 3.42Å; I883-N886 CarbonylContact O-C 3.57Å; I883-N886 PolarHBondContact O-N 3.18Å; I883-A887 VanDerWaalsContact O-CB 3.31Å; I883-A887 WeakPolarHBondContact O-CB 3.48Å; I883-A887 PolarHBondContact O-N 3.07Å
884L80.8Confident76.2Confident1 Ų123.2 Ų23.21%0.00511%0.114CC..Hα-helixtrans-57.4-51.4176.5179.872.7000111.3T881 E882 N886 A887 V888 L919 L920 I923 Q968 L971 I972T881-L884 WeakPolarHBondContact O-CB 3.4Å; T881-L884 PolarHBondContact O-N 3.17Å; E882-L884 PolarHBondContact O-N 3.13Å; L884-N886 PolarHBondContact O-N 2.83Å; L884-A887 PolarHBondContact O-N 2.88Å; L884-V888 HydrophobicContact CD1-CG2 4.32Å; L884-V888 HydrophobicContact CG-CG2 4.46Å; L884-V888 WeakPolarHBondContact O-CB 3.31Å; L884-V888 WeakPolarHBondContact O-CG2 3.21Å; L884-V888 PolarHBondContact O-N 3.36Å; L884-L919 HydrophobicContact CD2-CD2 3.89Å; L884-L919 HydrophobicContact CD2-CG 4.14Å; L884-L919 HydrophobicContact CG-CD2 3.93Å; L884-L920 HydrophobicContact CD2-CD2 4.16Å; L884-I923 HydrophobicContact CD2-CD1 3.95Å; L884-Q968 HydrophobicContact CD1-CB 3.91Å; L884-Q968 HydrophobicContact CD1-CG 3.79Å; L884-Q968 HydrophobicContact CD2-CG 3.7Å; L884-Q968 HydrophobicContact CG-CG 4.31Å; L884-L971 HydrophobicContact CD1-CB 3.85Å; L884-L971 HydrophobicContact CD1-CD1 4.11Å; L884-I972 HydrophobicContact CB-CG1 4.48Å; L884-I972 HydrophobicContact CD1-CG1 4.27Å
885T77.2Confident76.1Confident10 Ų1023.5 Ų23.56%0.06112%0.115CC..Hα-helixtrans-61.3-37179.8-46.60000110.6E882 I883 T889 P916E882-T885 PolarHBondContact O-N 3.4Å; I883-T885 PolarHBondContact O-N 3.42Å; T885-T889 WeakPolarHBondContact O-CB 3.14Å; T885-T889 PolarHBondContact O-N 3.03Å; T885-T889 PolarHBondContact O-OG1 3.46Å; T885-P916 HydrophobicContact CG2-CG 4.1Å
886N75Confident76.5Confident55 Ų5524.9 Ų24.929%0.29412%0.121SC..Hα-helixtrans-71.4-37.8176.4-68.7-24.3000112.7R217 I883 L884 A890R217-N886 PolarHBondContact NH2-OD1 2.74Å; I883-N886 CarbonylContact O-C 3.57Å; I883-N886 PolarHBondContact O-N 3.18Å; L884-N886 PolarHBondContact O-N 2.83Å; N886-A890 VanDerWaalsContact O-CB 3.27Å; N886-A890 WeakPolarHBondContact O-CB 3.21Å; N886-A890 PolarHBondContact O-N 3.28Å
887A83.2Confident77Confident5 Ų525.1 Ų25.14%0.04112%0.122CC..Hα-helixtrans-69.2-46.6176.400000112I883 L884 A890 L891 I972I883-A887 VanDerWaalsContact O-CB 3.31Å; I883-A887 WeakPolarHBondContact O-CB 3.48Å; I883-A887 PolarHBondContact O-N 3.07Å; L884-A887 PolarHBondContact O-N 2.88Å; A887-A890 PolarHBondContact O-N 2.85Å; A887-L891 WeakPolarHBondContact O-CG 3.42Å; A887-L891 PolarHBondContact O-N 2.98Å; A887-L891 VanDerWaalsContact O-N 3.07Å; A887-I972 HydrophobicContact CB-CG1 4.45Å
888V85.8Confident77.5Confident1 Ų123.8 Ų23.81%0.00612%0.115CC..Hα-helixtrans-60.5-44.7172.3170.30000110.2L884 A890 L891 L892 I898 I910 L919 L971L884-V888 HydrophobicContact CD1-CG2 4.32Å; L884-V888 HydrophobicContact CG-CG2 4.46Å; L884-V888 WeakPolarHBondContact O-CB 3.31Å; L884-V888 WeakPolarHBondContact O-CG2 3.21Å; L884-V888 PolarHBondContact O-N 3.36Å; V888-A890 PolarHBondContact O-N 2.73Å; V888-L891 PolarHBondContact O-N 3.06Å; V888-L892 HydrophobicContact CG1-CD1 3.53Å; V888-L892 HydrophobicContact CG1-CG 4.47Å; V888-L892 WeakPolarHBondContact O-CB 3.37Å; V888-L892 WeakPolarHBondContact O-CD1 3.22Å; V888-L892 WeakPolarHBondContact O-CG 3.41Å; V888-L892 PolarHBondContact O-N 2.93Å; V888-L892 VanDerWaalsContact O-N 3.13Å; V888-I898 HydrophobicContact CG1-CD1 4.11Å; V888-I898 HydrophobicContact CG2-CD1 4.44Å; V888-I910 HydrophobicContact CG1-CG2 4.32Å; V888-L919 HydrophobicContact CB-CD2 4.13Å; V888-L919 HydrophobicContact CG1-CD1 4.27Å; V888-L919 HydrophobicContact CG1-CD2 4.22Å; V888-L919 HydrophobicContact CG2-CD1 4.45Å; V888-L919 HydrophobicContact CG2-CD2 4.04Å; V888-L971 HydrophobicContact CG2-CB 4.29Å; V888-L971 HydrophobicContact CG2-CD1 4.19Å; V888-L971 HydrophobicContact CG2-CD2 4.25Å; V888-L971 HydrophobicContact CG2-CG 4.49Å
889T78.4Confident78.1Confident2 Ų218.1 Ų18.11%0.0129%0.091CC..Hα-helixtrans-56.8-49.7171.1-60.90000111.2Y216 R217 T885 L891 L892 I893 P913Y216-T889 HydrophobicContact CD2-CG2 4.21Å; Y216-T889 HydrophobicContact CE2-CG2 3.95Å; R217-T889 HydrophobicContact CG-CG2 4.29Å; R217-T889 PolarHBondContact NE-OG1 2.82Å; R217-T889 PolarHBondContact NH2-OG1 3.34Å; T885-T889 WeakPolarHBondContact O-CB 3.14Å; T885-T889 PolarHBondContact O-N 3.03Å; T885-T889 PolarHBondContact O-OG1 3.46Å; T889-L891 VanDerWaalsContact C-N 3.26Å; T889-L891 PolarHBondContact O-N 2.84Å; T889-L892 PolarHBondContact O-N 2.68Å; T889-L892 VanDerWaalsContact O-N 3.11Å; T889-I893 HydrophobicContact CG2-CG2 3.83Å; T889-I893 WeakPolarHBondContact O-CG1 3.3Å; T889-I893 WeakPolarHBondContact O-CG2 3.15Å; T889-I893 PolarHBondContact O-N 3.14Å; T889-P913 HydrophobicContact CG2-CG 4.1Å
890A78.7Confident78.7Confident2 Ų216.1 Ų16.12%0.0178%0.082CC..Hα-helixtrans-61.8-30.2-175.400000113.9N886 A887 V888 R894 I978 R979N886-A890 VanDerWaalsContact O-CB 3.27Å; N886-A890 WeakPolarHBondContact O-CB 3.21Å; N886-A890 PolarHBondContact O-N 3.28Å; A887-A890 PolarHBondContact O-N 2.85Å; V888-A890 PolarHBondContact O-N 2.73Å; A890-R894 WeakPolarHBondContact O-CD 3.43Å; A890-R894 WeakPolarHBondContact O-CG 3.48Å; A890-R894 PolarHBondContact O-NH1 3.21Å; A890-I978 HydrophobicContact CB-CG2 4.43Å; A890-R979 HydrophobicContact CB-CG 4.07Å
891L85.9Confident79.2Confident0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-71.4-49.8171.8-70.7163.3000111.8A887 V888 T889 R894 K896 I898 L974 I978 F985 L991A887-L891 WeakPolarHBondContact O-CG 3.42Å; A887-L891 PolarHBondContact O-N 2.98Å; A887-L891 VanDerWaalsContact O-N 3.07Å; V888-L891 PolarHBondContact O-N 3.06Å; T889-L891 VanDerWaalsContact C-N 3.26Å; T889-L891 PolarHBondContact O-N 2.84Å; L891-R894 CarbonylContact O-C 3.6Å; L891-R894 PolarHBondContact O-N 3.49Å; L891-K896 WeakPolarHBondContact O-CB 3.44Å; L891-K896 PolarHBondContact O-N 2.64Å; L891-I898 HydrophobicContact CB-CD1 3.93Å; L891-I898 HydrophobicContact CD1-CD1 3.68Å; L891-I898 HydrophobicContact CD1-CG1 4.36Å; L891-I898 HydrophobicContact CG-CD1 4.45Å; L891-L974 HydrophobicContact CD1-CB 3.84Å; L891-L974 HydrophobicContact CD2-CB 4.01Å; L891-I978 HydrophobicContact CD2-CB 3.93Å; L891-I978 HydrophobicContact CD2-CD1 3.9Å; L891-I978 HydrophobicContact CD2-CG1 4.5Å; L891-I978 HydrophobicContact CD2-CG2 3.73Å; L891-I978 HydrophobicContact CG-CG2 4.14Å; L891-F985 HydrophobicContact CD2-CE1 4.17Å; L891-L991 HydrophobicContact CD2-CD1 3.69Å
892L79.5Confident79.5Confident2 Ų214.6 Ų14.61%0.017%0.074CC..Hα-helixtrans-76.8-34.9-169.8-60.2168.5000112.5V888 T889 R894 Q895 K896 I898 I910 S912V888-L892 HydrophobicContact CG1-CD1 3.53Å; V888-L892 HydrophobicContact CG1-CG 4.47Å; V888-L892 WeakPolarHBondContact O-CB 3.37Å; V888-L892 WeakPolarHBondContact O-CD1 3.22Å; V888-L892 WeakPolarHBondContact O-CG 3.41Å; V888-L892 PolarHBondContact O-N 2.93Å; V888-L892 VanDerWaalsContact O-N 3.13Å; T889-L892 PolarHBondContact O-N 2.68Å; T889-L892 VanDerWaalsContact O-N 3.11Å; L892-R894 PolarHBondContact O-N 2.77Å; L892-Q895 WeakPolarHBondContact O-CA 3.05Å; L892-Q895 PolarHBondContact O-N 3.17Å; L892-K896 WeakPolarHBondContact CD2-O 3.41Å; L892-I898 HydrophobicContact CD1-CD1 4.15Å; L892-I898 HydrophobicContact CD2-CB 4.28Å; L892-I898 HydrophobicContact CD2-CD1 3.76Å; L892-I898 HydrophobicContact CD2-CG1 3.8Å; L892-I898 HydrophobicContact CG-CD1 3.85Å; L892-I898 HydrophobicContact CG-CG1 4.42Å; L892-I910 HydrophobicContact CD1-CG2 3.58Å; L892-I910 WeakPolarHBondContact CD2-O 3.27Å; L892-S912 WeakPolarHBondContact CD1-O 3.11Å
893I72.6Confident79.6Confident1 Ų114 Ų141%0.0058%0.075CC..Hα-helixtrans-62.9-32.517168.2-174.2000111.6Y216 A298 V299 S302 T889 Q895Y216-I893 HydrophobicContact CD2-CG2 4.05Å; A298-I893 HydrophobicContact CB-CD1 4.2Å; V299-I893 HydrophobicContact CG2-CB 3.68Å; V299-I893 HydrophobicContact CG2-CD1 4.32Å; V299-I893 HydrophobicContact CG2-CG1 4.37Å; V299-I893 HydrophobicContact CG2-CG2 3.99Å; S302-I893 PolarHBondContact OG-O 3.44Å; T889-I893 HydrophobicContact CG2-CG2 3.83Å; T889-I893 WeakPolarHBondContact O-CG1 3.3Å; T889-I893 WeakPolarHBondContact O-CG2 3.15Å; T889-I893 PolarHBondContact O-N 3.14Å; I893-Q895 PolarHBondContact O-N 3.32Å; I893-Q895 VanDerWaalsContact O-N 3.1Å; I893-Q895 PolarHBondContact O-NE2 2.85Å
894R76.7Confident79.2Confident47 Ų4715.7 Ų15.718%0.1779%0.087CC..THydrogen-bonded Turntrans-8127.8172.3-67.6175.4-178.965.74.9112.6A890 L891 L892 K896 I978A890-R894 WeakPolarHBondContact O-CD 3.43Å; A890-R894 WeakPolarHBondContact O-CG 3.48Å; A890-R894 PolarHBondContact O-NH1 3.21Å; L891-R894 CarbonylContact O-C 3.6Å; L891-R894 PolarHBondContact O-N 3.49Å; L892-R894 PolarHBondContact O-N 2.77Å; R894-K896 PolarHBondContact O-N 2.95Å; R894-I978 HydrophobicContact CB-CD1 3.78Å; R894-I978 HydrophobicContact CB-CG1 4.45Å; R894-I978 WeakPolarHBondContact CD-O 3.31Å; R894-I978 PolarHBondContact NE-O 3.25Å
895Q76.3Confident78.5Confident5 Ų519.1 Ų19.12%0.02311%0.105CC..THydrogen-bonded Turntrans64.24171.9-51.9-58.2-66.700115.9L303 L892 I893 Y1170L303-Q895 VanDerWaalsContact CD2-CD 3.45Å; L303-Q895 HydrophobicContact CD2-CG 4.05Å; L892-Q895 WeakPolarHBondContact O-CA 3.05Å; L892-Q895 PolarHBondContact O-N 3.17Å; I893-Q895 PolarHBondContact O-N 3.32Å; I893-Q895 VanDerWaalsContact O-N 3.1Å; I893-Q895 PolarHBondContact O-NE2 2.85Å; Q895-Y1170 HydrophobicContact CB-CE1 4.45Å; Q895-Y1170 HydrophobicContact CB-CE2 4.38Å; Q895-Y1170 PolarHBondContact O-OH 3.08Å
896K84.4Confident78.3Confident30 Ų3022.6 Ų22.613%0.1312%0.117CC..  trans-70.7148.8174.6-51.3-50.6177.5177.10109.4L891 L892 R894 I978 F985 M988 M989 L991L891-K896 WeakPolarHBondContact O-CB 3.44Å; L891-K896 PolarHBondContact O-N 2.64Å; L892-K896 WeakPolarHBondContact CD2-O 3.41Å; R894-K896 PolarHBondContact O-N 2.95Å; K896-I978 HydrophobicContact CD-CD1 4.45Å; K896-I978 HydrophobicContact CG-CD1 3.54Å; K896-F985 PolarHBondContact NZ-O 3.47Å; K896-M988 WeakPolarHBondContact CD-O 3.25Å; K896-M988 PolarHBondContact NZ-O 2.93Å; K896-M989 CarbonylContact C-O 3.51Å; K896-M989 WeakPolarHBondContact CA-O 3.37Å; K896-L991 HydrophobicContact CB-CD1 4.28Å; K896-L991 HydrophobicContact CB-CG 4.47Å
897Q84.8Confident78.4Confident12 Ų1222.5 Ų22.56%0.05612%0.115CC..EExtended strand (participates in β ladder)trans-101.9152.7163.5-66.7-174-900108.8M989 R990 L991 L1174Q897-M989 PolarHBondContact N-O 2.82Å; Q897-R990 HydrophobicContact CB-CB 4.21Å; Q897-R990 HydrophobicContact CB-CG 4.06Å; Q897-R990 CarbonylContact O-C 3.59Å; Q897-R990 WeakPolarHBondContact O-CA 3.26Å; Q897-L991 PolarHBondContact O-N 2.61Å; Q897-L1174 HydrophobicContact CG-CD2 4.35Å
898I89.1Confident78.4Confident0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-119.5139.9177.4-64.2166.3000107.7V888 L891 L892 I900 R909 I910 L971 V993V888-I898 HydrophobicContact CG1-CD1 4.11Å; V888-I898 HydrophobicContact CG2-CD1 4.44Å; L891-I898 HydrophobicContact CB-CD1 3.93Å; L891-I898 HydrophobicContact CD1-CD1 3.68Å; L891-I898 HydrophobicContact CD1-CG1 4.36Å; L891-I898 HydrophobicContact CG-CD1 4.45Å; L892-I898 HydrophobicContact CD1-CD1 4.15Å; L892-I898 HydrophobicContact CD2-CB 4.28Å; L892-I898 HydrophobicContact CD2-CD1 3.76Å; L892-I898 HydrophobicContact CD2-CG1 3.8Å; L892-I898 HydrophobicContact CG-CD1 3.85Å; L892-I898 HydrophobicContact CG-CG1 4.42Å; I898-I900 HydrophobicContact CG2-CG1 4.14Å; I898-R909 CarbonylContact O-C 3.39Å; I898-R909 WeakPolarHBondContact O-CA 3.29Å; I898-I910 HydrophobicContact CB-CB 4.21Å; I898-I910 HydrophobicContact CG2-CD1 4.32Å; I898-I910 PolarHBondContact N-O 3.07Å; I898-I910 PolarHBondContact O-N 3.23Å; I898-I910 VanDerWaalsContact O-O 3.12Å; I898-L971 HydrophobicContact CD1-CD2 4.11Å; I898-L971 HydrophobicContact CG2-CD2 3.76Å; I898-V993 HydrophobicContact CG2-CG2 3.91Å
899T87.3Confident78.1Confident5 Ų529.9 Ų29.93%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-123.7142.1164.837.70000111.7E907 E908 R909 R990 L991 R992 V993T899-E907 VanDerWaalsContact CB-CG 3.5Å; T899-E907 WeakPolarHBondContact CB-OE1 3.47Å; T899-E907 HydrophobicContact CG2-CG 3.79Å; T899-E907 PolarHBondContact OG1-OE1 2.74Å; T899-E908 CarbonylContact C-O 3.57Å; T899-E908 VanDerWaalsContact CA-O 3.23Å; T899-E908 WeakPolarHBondContact CA-O 3.38Å; T899-E908 WeakPolarHBondContact CG2-O 3.47Å; T899-R909 HydrophobicContact CG2-CB 3.77Å; T899-R909 HydrophobicContact CG2-CG 3.95Å; T899-R990 HydrophobicContact CG2-CG 4.35Å; T899-L991 PolarHBondContact N-O 2.79Å; T899-R992 WeakPolarHBondContact OG1-CA 3.45Å; T899-R992 WeakPolarHBondContact OG1-CG 3.45Å; T899-V993 WeakPolarHBondContact O-CB 3.39Å; T899-V993 WeakPolarHBondContact O-CG2 3.29Å; T899-V993 PolarHBondContact O-N 3.1Å
900I85.7Confident78.2Confident1 Ų130 Ų301%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-124.7147.1-179.2-57.2-175.8000108.3I898 E907 E908 I910 L922 I923 I926 V967 L971 V993I898-I900 HydrophobicContact CG2-CG1 4.14Å; I900-E907 WeakPolarHBondContact O-CA 3.5Å; I900-E908 PolarHBondContact N-O 3.48Å; I900-E908 PolarHBondContact O-N 3.36Å; I900-I910 HydrophobicContact CD1-CD1 3.58Å; I900-I910 HydrophobicContact CG1-CD1 4.29Å; I900-L922 HydrophobicContact CD1-CD2 4.29Å; I900-I923 HydrophobicContact CD1-CD1 4.43Å; I900-I923 HydrophobicContact CD1-CG1 3.72Å; I900-I926 HydrophobicContact CB-CD1 3.89Å; I900-I926 HydrophobicContact CG2-CD1 3.93Å; I900-V967 HydrophobicContact CD1-CG1 4.19Å; I900-V967 HydrophobicContact CG2-CG1 4.04Å; I900-L971 HydrophobicContact CD1-CD1 3.85Å; I900-V993 HydrophobicContact CG1-CG2 4.48Å
901G77Confident77.7Confident9 Ų930.5 Ų30.59%0.09315%0.147CC..EExtended strand (participates in β ladder)trans86.5-167.4-165.100000111.8R906 D930G901-R906 CarbonylContact C-O 3.6Å; G901-R906 VanDerWaalsContact CA-O 3.32Å; G901-R906 WeakPolarHBondContact CA-O 3.47Å; G901-D930 VanDerWaalsContact CA-OD2 3.26Å; G901-D930 WeakPolarHBondContact CA-OD2 3.25Å
902M72.8Confident76.6Confident18 Ų1830.6 Ų30.69%0.08915%0.148CC..EExtended strand (participates in β ladder)trans-133.8136.4-170.6-83-74.7-76.600112.7T904 I905 R906 C932 L995M902-T904 PolarHBondContact O-N 3.35Å; M902-I905 PolarHBondContact O-N 3.3Å; M902-R906 PolarHBondContact N-O 3.5Å; M902-R906 CarbonylContact O-C 3.47Å; M902-R906 VanDerWaalsContact O-C 3.31Å; M902-R906 PolarHBondContact O-N 3.08Å; M902-C932 HydrophobicContact CB-CB 4.27Å; M902-C932 VanDerWaalsContact CB-SG 3.52Å; M902-C932 HydrophobicContact CG-CB 4.08Å; M902-C932 VanDerWaalsContact CG-SG 3.5Å; M902-L995 HydrophobicContact CE-CD2 3.97Å; M902-L995 HydrophobicContact SD-CD2 3.76Å; M902-L995 HydrophobicContact SD-CG 4.3Å
903P67.5Low76Confident46 Ų4630.7 Ų30.730%0.29915%0.148SC..THydrogen-bonded Turntrans-67.1-13.4-168.924.9-34.7000115.7L995P903-L995 HydrophobicContact CG-CD2 4.31Å
904T64.9Low75.9Confident77 Ų7731.7 Ų31.747%0.47215%0.154SC..THydrogen-bonded Turntrans-82.4-11.5174.843.70000113.5M902M902-T904 PolarHBondContact O-N 3.35Å
905I66.5Low75.5Confident73 Ų7333.7 Ų33.737%0.37417%0.167SC..THydrogen-bonded Turntrans-131-73.6-176.7-52.9156.6000109.3M902 D930 E931 C932M902-I905 PolarHBondContact O-N 3.3Å; I905-D930 WeakPolarHBondContact CB-OD1 3.48Å; I905-D930 WeakPolarHBondContact CG2-OD1 3.28Å; I905-E931 HydrophobicContact CD1-CB 3.76Å; I905-C932 HydrophobicContact CD1-CB 4.05Å; I905-C932 VanDerWaalsContact CD1-N 3.32Å; I905-C932 VanDerWaalsContact CD1-SG 3.55Å
906R72.5Confident75.1Confident83 Ų8336.2 Ų36.231%0.31318%0.184SC..EExtended strand (participates in β ladder)trans-152.1129178.9-177.6178.1-179.4174.9-4.1109.6G901 M902 E908 D929G901-R906 CarbonylContact C-O 3.6Å; G901-R906 VanDerWaalsContact CA-O 3.32Å; G901-R906 WeakPolarHBondContact CA-O 3.47Å; M902-R906 PolarHBondContact N-O 3.5Å; M902-R906 CarbonylContact O-C 3.47Å; M902-R906 VanDerWaalsContact O-C 3.31Å; M902-R906 PolarHBondContact O-N 3.08Å; R906-E908 IonicContact CZ-OE1 2.77Å; R906-E908 VanDerWaalsContact CZ-OE1 3.23Å; R906-E908 IonicContact NE-OE1 3.65Å; R906-E908 PolarHBondContact NE-OE1 2.89Å; R906-E908 IonicContact NH2-OE1 3.82Å; R906-E908 PolarHBondContact NH2-OE1 3.37Å; R906-D929 IonicContact CZ-OD2 2.69Å; R906-D929 IonicContact NH1-OD2 2.98Å; R906-D929 PolarHBondContact NH1-OD2 2.84Å
907E76.9Confident74.5Confident54 Ų5442.5 Ų42.525%0.25221%0.214SC..EExtended strand (participates in β ladder)trans-131.8113.2174.6-175-176.3-160.400109.1T899 I900 R992T899-E907 VanDerWaalsContact CB-CG 3.5Å; T899-E907 WeakPolarHBondContact CB-OE1 3.47Å; T899-E907 HydrophobicContact CG2-CG 3.79Å; T899-E907 PolarHBondContact OG1-OE1 2.74Å; I900-E907 WeakPolarHBondContact O-CA 3.5Å; E907-R992 IonicContact OE1-CZ 3.2Å; E907-R992 IonicContact OE1-NE 2.69Å; E907-R992 PolarHBondContact OE1-NE 3.3Å; E907-R992 IonicContact OE1-NH2 3.88Å; E907-R992 IonicContact OE2-CZ 2.93Å; E907-R992 IonicContact OE2-NE 2.87Å; E907-R992 PolarHBondContact OE2-NE 3.24Å; E907-R992 IonicContact OE2-NH2 2.86Å; E907-R992 PolarHBondContact OE2-NH2 3.45Å
908E82.4Confident74.1Confident62 Ų6245.3 Ų45.329%0.2923%0.227SC..EExtended strand (participates in β ladder)trans-103.8148.2177.6-69-172.6-161.300111.6T899 I900 R906 I926T899-E908 CarbonylContact C-O 3.57Å; T899-E908 VanDerWaalsContact CA-O 3.23Å; T899-E908 WeakPolarHBondContact CA-O 3.38Å; T899-E908 WeakPolarHBondContact CG2-O 3.47Å; I900-E908 PolarHBondContact N-O 3.48Å; I900-E908 PolarHBondContact O-N 3.36Å; R906-E908 IonicContact CZ-OE1 2.77Å; R906-E908 VanDerWaalsContact CZ-OE1 3.23Å; R906-E908 IonicContact NE-OE1 3.65Å; R906-E908 PolarHBondContact NE-OE1 2.89Å; R906-E908 IonicContact NH2-OE1 3.82Å; R906-E908 PolarHBondContact NH2-OE1 3.37Å; E908-I926 HydrophobicContact CB-CD1 3.72Å; E908-I926 HydrophobicContact CB-CG1 4.14Å; E908-I926 HydrophobicContact CG-CD1 4.28Å; E908-I926 HydrophobicContact CG-CG1 4.14Å
909R81.2Confident73.6Confident99 Ų9945.3 Ų45.337%0.37423%0.227SC..EExtended strand (participates in β ladder)trans-111113.2-168.1-171.6-166.8-59.5172.92111.7I898 T899 V911I898-R909 CarbonylContact O-C 3.39Å; I898-R909 WeakPolarHBondContact O-CA 3.29Å; T899-R909 HydrophobicContact CG2-CB 3.77Å; T899-R909 HydrophobicContact CG2-CG 3.95Å; R909-V911 VanDerWaalsContact CD-CG1 3.42Å; R909-V911 HydrophobicContact CG-CG1 3.69Å; R909-V911 PolarHBondContact O-N 3.34Å
910I80.4Confident73.1Confident4 Ų445.8 Ų45.82%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-82.1114.8164.9-51.4171.5000107.7V888 L892 I898 I900 S912 L914 L919 L922V888-I910 HydrophobicContact CG1-CG2 4.32Å; L892-I910 HydrophobicContact CD1-CG2 3.58Å; L892-I910 WeakPolarHBondContact CD2-O 3.27Å; I898-I910 HydrophobicContact CB-CB 4.21Å; I898-I910 HydrophobicContact CG2-CD1 4.32Å; I898-I910 PolarHBondContact N-O 3.07Å; I898-I910 PolarHBondContact O-N 3.23Å; I898-I910 VanDerWaalsContact O-O 3.12Å; I900-I910 HydrophobicContact CD1-CD1 3.58Å; I900-I910 HydrophobicContact CG1-CD1 4.29Å; I910-S912 WeakPolarHBondContact CG2-O 3.34Å; I910-L914 HydrophobicContact CG1-CD1 4.48Å; I910-L914 HydrophobicContact CG2-CD1 4.23Å; I910-L914 HydrophobicContact CG2-CG 4.42Å; I910-L919 HydrophobicContact CD1-CD1 3.56Å; I910-L922 HydrophobicContact CD1-CD2 3.93Å; I910-L922 HydrophobicContact CG1-CD1 4.35Å; I910-L922 HydrophobicContact CG1-CD2 3.87Å
911V68.4Low72.9Confident13 Ų1352.3 Ų52.38%0.07926%0.258CS..  trans-105-0.7177.7-65.20000112.8S235 R909S235-V911 WeakPolarHBondContact CB-O 3.18Å; R909-V911 VanDerWaalsContact CD-CG1 3.42Å; R909-V911 HydrophobicContact CG-CG1 3.69Å; R909-V911 PolarHBondContact O-N 3.34Å
912S62.4Low73.2Confident2 Ų253.4 Ų53.41%0.01426%0.261CS..SBendtrans-157158.2-167.466.40000113.7H234 S235 L892 I910 L914H234-S912 WeakPolarHBondContact CB-OG 3.49Å; H234-S912 WeakPolarHBondContact O-CB 3.1Å; H234-S912 PolarHBondContact O-OG 3.14Å; S235-S912 VanDerWaalsContact CA-CB 3.4Å; S235-S912 VanDerWaalsContact N-CB 3.29Å; L892-S912 WeakPolarHBondContact CD1-O 3.11Å; I910-S912 WeakPolarHBondContact CG2-O 3.34Å; S912-L914 PolarHBondContact O-N 2.71Å
913P65.8Low73.5Confident3 Ų352.5 Ų52.52%0.01926%0.257CS..  trans-49.2135154.5-23.536.1000109.8R217 S235 T889R217-P913 HydrophobicContact CG-CB 3.72Å; R217-P913 HydrophobicContact CG-CG 3.9Å; S235-P913 VanDerWaalsContact OG-CD 3.26Å; S235-P913 WeakPolarHBondContact OG-CD 3.48Å; T889-P913 HydrophobicContact CG2-CG 4.1Å
914L71.1Confident73.9Confident23 Ų2353.6 Ų53.612%0.1226%0.255CS..  trans-118.9158.5170.9-65.8175.6000107.1I910 S912 E918 L919 L922I910-L914 HydrophobicContact CG1-CD1 4.48Å; I910-L914 HydrophobicContact CG2-CD1 4.23Å; I910-L914 HydrophobicContact CG2-CG 4.42Å; S912-L914 PolarHBondContact O-N 2.71Å; L914-E918 HydrophobicContact CB-CB 4.25Å; L914-L919 HydrophobicContact CB-CB 4.18Å; L914-L919 HydrophobicContact CD1-CD1 4.48Å; L914-L922 HydrophobicContact CD1-CD1 4.09Å
915L68.7Low74.5Confident88 Ų8853.8 Ų53.846%0.46125%0.253SS..  trans-63.8151171.5-62.9174000109.7E917 E918 L919L915-E917 PolarHBondContact O-N 3.33Å; L915-E917 VanDerWaalsContact O-N 3.15Å; L915-E918 HydrophobicContact CB-CB 4.48Å; L915-E918 HydrophobicContact CB-CG 4.06Å; L915-E918 WeakPolarHBondContact CB-OE2 3.47Å; L915-E918 PolarHBondContact N-OE2 2.83Å; L915-E918 WeakPolarHBondContact O-CB 3.5Å; L915-E918 PolarHBondContact O-N 2.84Å; L915-L919 PolarHBondContact O-N 3.37Å
916P68.1Low74.8Confident58 Ų5850.3 Ų50.338%0.37724%0.236SC..Hα-helixtrans-52.7-41.6-176.2-26.132.2000113.3T885 L920T885-P916 HydrophobicContact CG2-CG 4.1Å; P916-L920 VanDerWaalsContact O-CD1 3.27Å; P916-L920 WeakPolarHBondContact O-CD1 3.5Å; P916-L920 WeakPolarHBondContact O-CG 3.38Å; P916-L920 PolarHBondContact O-N 2.93Å; P916-L920 VanDerWaalsContact O-N 3.14Å
917E71Confident74.5Confident163 Ų16347 Ų4776%0.76222%0.224SC*.Hα-helixtrans-66.4-39.8178.6-60.7-176.8-174.600112.9L915 K921L915-E917 PolarHBondContact O-N 3.33Å; L915-E917 VanDerWaalsContact O-N 3.15Å; E917-K921 VanDerWaalsContact O-CB 3.26Å; E917-K921 WeakPolarHBondContact O-CB 3.27Å; E917-K921 PolarHBondContact O-N 3.3Å
918E76.6Confident73.5Confident70 Ų7045 Ų4533%0.32722%0.217SC..Hα-helixtrans-68.4-44.2178.5-62.4176.4138.800111.2L914 L915 L920 K921 L922L914-E918 HydrophobicContact CB-CB 4.25Å; L915-E918 HydrophobicContact CB-CB 4.48Å; L915-E918 HydrophobicContact CB-CG 4.06Å; L915-E918 WeakPolarHBondContact CB-OE2 3.47Å; L915-E918 PolarHBondContact N-OE2 2.83Å; L915-E918 WeakPolarHBondContact O-CB 3.5Å; L915-E918 PolarHBondContact O-N 2.84Å; E918-L920 PolarHBondContact O-N 2.68Å; E918-K921 PolarHBondContact O-N 2.76Å; E918-L922 WeakPolarHBondContact O-CB 3.38Å; E918-L922 PolarHBondContact O-N 3.13Å
919L79.3Confident71.9Confident0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-58.9-47.5177.7179.356.2000111.5L884 V888 I910 L914 L915 L922 I923L884-L919 HydrophobicContact CD2-CD2 3.89Å; L884-L919 HydrophobicContact CD2-CG 4.14Å; L884-L919 HydrophobicContact CG-CD2 3.93Å; V888-L919 HydrophobicContact CB-CD2 4.13Å; V888-L919 HydrophobicContact CG1-CD1 4.27Å; V888-L919 HydrophobicContact CG1-CD2 4.22Å; V888-L919 HydrophobicContact CG2-CD1 4.45Å; V888-L919 HydrophobicContact CG2-CD2 4.04Å; I910-L919 HydrophobicContact CD1-CD1 3.56Å; L914-L919 HydrophobicContact CB-CB 4.18Å; L914-L919 HydrophobicContact CD1-CD1 4.48Å; L915-L919 PolarHBondContact O-N 3.37Å; L919-L922 PolarHBondContact O-N 2.86Å; L919-I923 HydrophobicContact CD1-CD1 4.07Å; L919-I923 HydrophobicContact CG-CD1 4.08Å; L919-I923 WeakPolarHBondContact O-CD1 3.33Å; L919-I923 VanDerWaalsContact O-CG1 3.26Å; L919-I923 WeakPolarHBondContact O-CG1 3.25Å; L919-I923 PolarHBondContact O-N 3.4Å
920L76.9Confident70.3Confident15 Ų1542.6 Ų42.68%0.07921%0.214CC..Hα-helixtrans-65.8-39.6176.8-67.9162.1000112.5V880 L884 P916 E918 L922 I923 R924V880-L920 HydrophobicContact CB-CD1 4.17Å; V880-L920 HydrophobicContact CG1-CD1 3.67Å; V880-L920 HydrophobicContact CG1-CD2 4.35Å; V880-L920 HydrophobicContact CG2-CD1 3.37Å; V880-L920 HydrophobicContact CG2-CD2 4.04Å; V880-L920 HydrophobicContact CG2-CG 4.35Å; L884-L920 HydrophobicContact CD2-CD2 4.16Å; P916-L920 VanDerWaalsContact O-CD1 3.27Å; P916-L920 WeakPolarHBondContact O-CD1 3.5Å; P916-L920 WeakPolarHBondContact O-CG 3.38Å; P916-L920 PolarHBondContact O-N 2.93Å; P916-L920 VanDerWaalsContact O-N 3.14Å; E918-L920 PolarHBondContact O-N 2.68Å; L920-L922 VanDerWaalsContact C-N 3.35Å; L920-I923 PolarHBondContact O-N 3.2Å; L920-R924 VanDerWaalsContact O-CB 3.31Å; L920-R924 WeakPolarHBondContact O-CB 3.37Å; L920-R924 VanDerWaalsContact O-CG 3.3Å; L920-R924 WeakPolarHBondContact O-CG 3.5Å; L920-R924 PolarHBondContact O-N 3.4Å
921K80.8Confident68.4Low138 Ų13846.1 Ų46.160%0.623%0.231SC*.Hα-helixtrans-64.4-41.1177-174179.9179.7-175.30110.9E917 E918 N925E917-K921 VanDerWaalsContact O-CB 3.26Å; E917-K921 WeakPolarHBondContact O-CB 3.27Å; E917-K921 PolarHBondContact O-N 3.3Å; E918-K921 PolarHBondContact O-N 2.76Å; K921-N925 WeakPolarHBondContact O-CB 3.36Å; K921-N925 PolarHBondContact O-N 3.01Å; K921-N925 PolarHBondContact O-OD1 3.14Å
922L82.6Confident67Low32 Ų3247.3 Ų47.317%0.16824%0.239CC..Hα-helixtrans-62.4-52.2174.1179.3147.2000111.2I900 I910 L914 E918 L919 L920 R924 N925 I926I900-L922 HydrophobicContact CD1-CD2 4.29Å; I910-L922 HydrophobicContact CD1-CD2 3.93Å; I910-L922 HydrophobicContact CG1-CD1 4.35Å; I910-L922 HydrophobicContact CG1-CD2 3.87Å; L914-L922 HydrophobicContact CD1-CD1 4.09Å; E918-L922 WeakPolarHBondContact O-CB 3.38Å; E918-L922 PolarHBondContact O-N 3.13Å; L919-L922 PolarHBondContact O-N 2.86Å; L920-L922 VanDerWaalsContact C-N 3.35Å; L922-R924 VanDerWaalsContact C-N 3.34Å; L922-R924 PolarHBondContact O-N 3.47Å; L922-N925 PolarHBondContact O-N 3.47Å; L922-I926 HydrophobicContact CD2-CD1 3.51Å; L922-I926 HydrophobicContact CG-CD1 3.92Å; L922-I926 WeakPolarHBondContact O-CD1 3.32Å; L922-I926 VanDerWaalsContact O-CG1 3.28Å; L922-I926 WeakPolarHBondContact O-CG1 3.46Å; L922-I926 PolarHBondContact O-N 2.84Å; L922-I926 VanDerWaalsContact O-N 3.09Å
923I79.6Confident66Low0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-54.1-50.5177.7-69.2164.1000110.9L884 I900 L919 L920 I926 I927 D964 V967 Q968 L971L884-I923 HydrophobicContact CD2-CD1 3.95Å; I900-I923 HydrophobicContact CD1-CD1 4.43Å; I900-I923 HydrophobicContact CD1-CG1 3.72Å; L919-I923 HydrophobicContact CD1-CD1 4.07Å; L919-I923 HydrophobicContact CG-CD1 4.08Å; L919-I923 WeakPolarHBondContact O-CD1 3.33Å; L919-I923 VanDerWaalsContact O-CG1 3.26Å; L919-I923 WeakPolarHBondContact O-CG1 3.25Å; L919-I923 PolarHBondContact O-N 3.4Å; L920-I923 PolarHBondContact O-N 3.2Å; I923-I926 PolarHBondContact O-N 2.95Å; I923-I927 HydrophobicContact CG2-CD1 3.72Å; I923-I927 WeakPolarHBondContact O-CB 3.33Å; I923-I927 WeakPolarHBondContact O-CG1 3.46Å; I923-I927 PolarHBondContact O-N 3.04Å; I923-I927 VanDerWaalsContact O-N 3.14Å; I923-D964 HydrophobicContact CG2-CB 4.09Å; I923-V967 HydrophobicContact CG2-CG1 4.28Å; I923-Q968 HydrophobicContact CD1-CG 4.33Å; I923-L971 HydrophobicContact CD1-CD1 4.36Å
924R76.4Confident64.7Low69 Ų6950.5 Ų50.526%0.2626%0.256SS..Hα-helixtrans-70.9-29.8-177.7-71.5172.6173.41497.9113.9L920 L922 G928 D964L920-R924 VanDerWaalsContact O-CB 3.31Å; L920-R924 WeakPolarHBondContact O-CB 3.37Å; L920-R924 VanDerWaalsContact O-CG 3.3Å; L920-R924 WeakPolarHBondContact O-CG 3.5Å; L920-R924 PolarHBondContact O-N 3.4Å; L922-R924 VanDerWaalsContact C-N 3.34Å; L922-R924 PolarHBondContact O-N 3.47Å; R924-G928 VanDerWaalsContact O-CA 3.29Å; R924-G928 WeakPolarHBondContact O-CA 3.19Å; R924-G928 PolarHBondContact O-N 3.31Å; R924-D964 HydrophobicContact CG-CB 4.19Å; R924-D964 WeakPolarHBondContact CG-OD2 3.36Å; R924-D964 IonicContact CZ-OD2 3.58Å; R924-D964 VanDerWaalsContact CZ-OD2 3.24Å; R924-D964 IonicContact NE-OD2 3.91Å; R924-D964 PolarHBondContact NE-OD2 2.74Å; R924-D964 IonicContact NH2-OD2 2.71Å; R924-D964 PolarHBondContact NH2-OD2 2.97Å
925N77.4Confident63.2Low81 Ų8151.5 Ų51.543%0.43326%0.261SS..Hα-helixtrans-72.4-39176.2-77.7-0.1000112K921 L922K921-N925 WeakPolarHBondContact O-CB 3.36Å; K921-N925 PolarHBondContact O-N 3.01Å; K921-N925 PolarHBondContact O-OD1 3.14Å; L922-N925 PolarHBondContact O-N 3.47Å
926I72.9Confident61.9Low0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-67.8-56.7178.3-60.5156.9000108.9I900 E908 L922 I923 G928 D929 D930I900-I926 HydrophobicContact CB-CD1 3.89Å; I900-I926 HydrophobicContact CG2-CD1 3.93Å; E908-I926 HydrophobicContact CB-CD1 3.72Å; E908-I926 HydrophobicContact CB-CG1 4.14Å; E908-I926 HydrophobicContact CG-CD1 4.28Å; E908-I926 HydrophobicContact CG-CG1 4.14Å; L922-I926 HydrophobicContact CD2-CD1 3.51Å; L922-I926 HydrophobicContact CG-CD1 3.92Å; L922-I926 WeakPolarHBondContact O-CD1 3.32Å; L922-I926 VanDerWaalsContact O-CG1 3.28Å; L922-I926 WeakPolarHBondContact O-CG1 3.46Å; L922-I926 PolarHBondContact O-N 2.84Å; L922-I926 VanDerWaalsContact O-N 3.09Å; I923-I926 PolarHBondContact O-N 2.95Å; I926-G928 VanDerWaalsContact C-N 3.28Å; I926-G928 PolarHBondContact O-N 3.4Å; I926-D929 PolarHBondContact O-N 3.41Å; I926-D929 VanDerWaalsContact O-N 3.17Å; I926-D930 WeakPolarHBondContact O-CB 3.28Å; I926-D930 PolarHBondContact O-N 3.18Å
927I65.5Low60.5Low12 Ų1245.9 Ų45.96%0.06223%0.228CC..Hα-helixtrans-63.7-35.2-177.9-63.1169.4000111.1I923 D929 D930 F960 D963 D964 V967I923-I927 HydrophobicContact CG2-CD1 3.72Å; I923-I927 WeakPolarHBondContact O-CB 3.33Å; I923-I927 WeakPolarHBondContact O-CG1 3.46Å; I923-I927 PolarHBondContact O-N 3.04Å; I923-I927 VanDerWaalsContact O-N 3.14Å; I927-D929 PolarHBondContact O-N 3.09Å; I927-D930 PolarHBondContact O-N 3.34Å; I927-F960 VanDerWaalsContact O-CD1 3.23Å; I927-F960 WeakPolarHBondContact O-CD1 3.28Å; I927-F960 WeakPolarHBondContact O-CE1 3.37Å; I927-D963 HydrophobicContact CG2-CB 3.96Å; I927-D964 HydrophobicContact CD1-CB 4.16Å; I927-V967 HydrophobicContact CD1-CB 4.14Å; I927-V967 HydrophobicContact CD1-CG2 3.86Å
928G56.2Low58.8Low12 Ų1241.1 Ų41.112%0.12421%0.205CC..THydrogen-bonded Turntrans-67.9-11.5178.200000116R924 I926 R957 F960R924-G928 VanDerWaalsContact O-CA 3.29Å; R924-G928 WeakPolarHBondContact O-CA 3.19Å; R924-G928 PolarHBondContact O-N 3.31Å; I926-G928 VanDerWaalsContact C-N 3.28Å; I926-G928 PolarHBondContact O-N 3.4Å; G928-R957 PolarHBondContact O-NH2 3.23Å; G928-F960 VanDerWaalsContact O-CE1 3.3Å; G928-F960 WeakPolarHBondContact O-CE1 3.36Å
929D48.5Very low56.9Low101 Ų10139.5 Ų39.554%0.5420%0.2SC..THydrogen-bonded Turntrans-118.5-14.4175.9-68.2-23000112.6R906 I926 I927R906-D929 IonicContact CZ-OD2 2.69Å; R906-D929 IonicContact NH1-OD2 2.98Å; R906-D929 PolarHBondContact NH1-OD2 2.84Å; I926-D929 PolarHBondContact O-N 3.41Å; I926-D929 VanDerWaalsContact O-N 3.17Å; I927-D929 PolarHBondContact O-N 3.09Å
930D46.9Very low54.9Low10 Ų1043.3 Ų43.35%0.05322%0.221CC..  trans-81.5125.6-171.9-111.4-10.8000112.9G901 I905 I926 I927 C932 G933G901-D930 VanDerWaalsContact CA-OD2 3.26Å; G901-D930 WeakPolarHBondContact CA-OD2 3.25Å; I905-D930 WeakPolarHBondContact CB-OD1 3.48Å; I905-D930 WeakPolarHBondContact CG2-OD1 3.28Å; I926-D930 WeakPolarHBondContact O-CB 3.28Å; I926-D930 PolarHBondContact O-N 3.18Å; I927-D930 PolarHBondContact O-N 3.34Å; D930-C932 PolarHBondContact O-N 3.03Å; D930-C932 VanDerWaalsContact O-N 3.09Å; D930-G933 PolarHBondContact O-N 3Å; D930-G933 VanDerWaalsContact O-N 3.11Å
931E42.2Very low52.9Low79 Ų7945.4 Ų45.437%0.36923%0.231SC..THydrogen-bonded Turntrans-64.1-8.3166.2-70.5-174.8-165.600113.2I905 G933 I934 R1026I905-E931 HydrophobicContact CD1-CB 3.76Å; E931-G933 PolarHBondContact O-N 3.04Å; E931-I934 HydrophobicContact CB-CD1 3.87Å; E931-I934 HydrophobicContact CB-CG1 4.4Å; E931-I934 HydrophobicContact CG-CD1 3.81Å; E931-I934 WeakPolarHBondContact O-CB 3.48Å; E931-I934 WeakPolarHBondContact O-CG1 3.42Å; E931-I934 PolarHBondContact O-N 2.9Å; E931-R1026 IonicContact OE1-CZ 3.12Å; E931-R1026 IonicContact OE1-NH1 3.88Å; E931-R1026 PolarHBondContact OE1-NH1 3.47Å; E931-R1026 IonicContact OE1-NH2 3.22Å; E931-R1026 PolarHBondContact OE1-NH2 2.72Å; E931-R1026 IonicContact OE2-CZ 2.7Å; E931-R1026 IonicContact OE2-NE 3.56Å; E931-R1026 IonicContact OE2-NH1 2.87Å; E931-R1026 PolarHBondContact OE2-NH1 2.88Å; E931-R1026 IonicContact OE2-NH2 3.69Å; E931-R1026 PolarHBondContact OE2-NH2 2.88Å
932C37.8Very low50.7Low38 Ų3846.6 Ų46.626%0.25724%0.239SC..THydrogen-bonded Turntrans-70.5-16.2171.1-89.60000113.6M902 I905 D930 I934 M935M902-C932 HydrophobicContact CB-CB 4.27Å; M902-C932 VanDerWaalsContact CB-SG 3.52Å; M902-C932 HydrophobicContact CG-CB 4.08Å; M902-C932 VanDerWaalsContact CG-SG 3.5Å; I905-C932 HydrophobicContact CD1-CB 4.05Å; I905-C932 VanDerWaalsContact CD1-N 3.32Å; I905-C932 VanDerWaalsContact CD1-SG 3.55Å; D930-C932 PolarHBondContact O-N 3.03Å; D930-C932 VanDerWaalsContact O-N 3.09Å; C932-I934 PolarHBondContact O-N 3.33Å; C932-M935 PolarHBondContact O-N 3.26Å
933G41.1Very low48.5Very low3 Ų349.4 Ų49.43%0.03125%0.254CS..THydrogen-bonded Turntrans-58.9-39.616400000111.5D930 E931 M935 I936 T937 D963D930-G933 PolarHBondContact O-N 3Å; D930-G933 VanDerWaalsContact O-N 3.11Å; E931-G933 PolarHBondContact O-N 3.04Å; G933-M935 PolarHBondContact O-N 3.4Å; G933-I936 PolarHBondContact O-N 3.05Å; G933-T937 PolarHBondContact O-N 3.12Å; G933-T937 PolarHBondContact O-OG1 3.35Å; G933-D963 WeakPolarHBondContact CA-OD2 3.48Å
934I39Very low46.2Very low69 Ų6952.1 Ų52.135%0.35427%0.273SS..Hα-helixtrans-55.3-32.2179.9-54.9179.4000111.5E931 C932 I936 T937 Q938E931-I934 HydrophobicContact CB-CD1 3.87Å; E931-I934 HydrophobicContact CB-CG1 4.4Å; E931-I934 HydrophobicContact CG-CD1 3.81Å; E931-I934 WeakPolarHBondContact O-CB 3.48Å; E931-I934 WeakPolarHBondContact O-CG1 3.42Å; E931-I934 PolarHBondContact O-N 2.9Å; C932-I934 PolarHBondContact O-N 3.33Å; I934-I936 VanDerWaalsContact C-N 3.26Å; I934-I936 PolarHBondContact O-N 2.99Å; I934-T937 WeakPolarHBondContact CA-OG1 3.26Å; I934-Q938 HydrophobicContact CG2-CG 3.61Å; I934-Q938 WeakPolarHBondContact O-CB 3.32Å; I934-Q938 VanDerWaalsContact O-CG 3.24Å; I934-Q938 WeakPolarHBondContact O-CG 3.46Å; I934-Q938 PolarHBondContact O-N 3.16Å
935M39.1Very low44Very low44 Ų4456 Ų5622%0.21729%0.292CS..Hα-helixtrans-72.9-14179.6-143.3-148.683.500114.4C932 G933 I1001 L1017C932-M935 PolarHBondContact O-N 3.26Å; G933-M935 PolarHBondContact O-N 3.4Å; M935-I1001 HydrophobicContact CE-CD1 3.81Å; M935-I1001 HydrophobicContact CE-CG2 4.19Å; M935-L1017 HydrophobicContact CG-CD2 4.39Å; M935-L1017 HydrophobicContact SD-CD1 3.95Å; M935-L1017 HydrophobicContact SD-CD2 3.86Å
936I41.2Very low41.9Very low23 Ų2361.3 Ų61.312%0.11831%0.314CS..Hα-helixtrans-109-34.2172.8-59.4179.2000110.3G933 I934 V939 D963 I1001 T1042G933-I936 PolarHBondContact O-N 3.05Å; I934-I936 VanDerWaalsContact C-N 3.26Å; I934-I936 PolarHBondContact O-N 2.99Å; I936-V939 WeakPolarHBondContact O-CB 3.27Å; I936-V939 WeakPolarHBondContact O-CG2 3.34Å; I936-D963 WeakPolarHBondContact CG2-OD1 3.42Å; I936-I1001 HydrophobicContact CG1-CD1 4.45Å; I936-T1042 HydrophobicContact CG2-CG2 3.9Å
937T38.6Very low39.9Very low5 Ų568.2 Ų68.23%0.03135%0.35CS..Hα-helixtrans-90.6-10.4-17662.60000114.9G933 I934 V939 N940 L941 D959G933-T937 PolarHBondContact O-N 3.12Å; G933-T937 PolarHBondContact O-OG1 3.35Å; I934-T937 WeakPolarHBondContact CA-OG1 3.26Å; T937-V939 PolarHBondContact O-N 3.39Å; T937-V939 VanDerWaalsContact O-N 3.11Å; T937-N940 PolarHBondContact O-N 2.93Å; T937-L941 PolarHBondContact O-N 3.06Å; T937-D959 HydrophobicContact CG2-CB 3.91Å
938Q36.3Very low38.3Very low62 Ų6274.8 Ų74.829%0.2938%0.384SS..Hα-helixtrans-54.7-28166.4-92-176.6-98.400112.7I934 N940 L941 E1035I934-Q938 HydrophobicContact CG2-CG 3.61Å; I934-Q938 WeakPolarHBondContact O-CB 3.32Å; I934-Q938 VanDerWaalsContact O-CG 3.24Å; I934-Q938 WeakPolarHBondContact O-CG 3.46Å; I934-Q938 PolarHBondContact O-N 3.16Å; Q938-N940 PolarHBondContact O-N 3.33Å; Q938-N940 VanDerWaalsContact O-N 3.16Å; Q938-L941 PolarHBondContact O-N 3.1Å; Q938-E1035 HydrophobicContact CB-CG 4.1Å; Q938-E1035 WeakPolarHBondContact CB-OE1 3.41Å; Q938-E1035 PolarHBondContact NE2-OE1 3.16Å
939V37.3Very low37.1Very low37 Ų3782.4 Ų82.422%0.22442%0.42CS..Hα-helixtrans-49.8-34.6170.6175.20000113.1I936 T937 E1035 A1038 T1039I936-V939 WeakPolarHBondContact O-CB 3.27Å; I936-V939 WeakPolarHBondContact O-CG2 3.34Å; T937-V939 PolarHBondContact O-N 3.39Å; T937-V939 VanDerWaalsContact O-N 3.11Å; V939-E1035 HydrophobicContact CG2-CB 4.39Å; V939-E1035 WeakPolarHBondContact CG2-O 3.44Å; V939-A1038 HydrophobicContact CG2-CB 4.49Å; V939-T1039 HydrophobicContact CG1-CG2 3.94Å; V939-T1039 WeakPolarHBondContact CG1-OG1 3.39Å; V939-T1039 WeakPolarHBondContact CG2-OG1 3.43Å
940N36.2Very low36.1Very low80 Ų8080.8 Ų80.843%0.42843%0.428SS..Hα-helixtrans-95.6-16.1177.3-67.7-20.4000113.3T937 Q938T937-N940 PolarHBondContact O-N 2.93Å; Q938-N940 PolarHBondContact O-N 3.33Å; Q938-N940 VanDerWaalsContact O-N 3.16Å
941L34.5Very low35.2Very low58 Ų5884.1 Ų84.130%0.30447%0.465SS..Hα-helixtrans-90.85.1-169.4-97169.6000115.3T937 Q938 L943 S944 D959T937-L941 PolarHBondContact O-N 3.06Å; Q938-L941 PolarHBondContact O-N 3.1Å; L941-L943 PolarHBondContact O-N 3.38Å; L941-S944 WeakPolarHBondContact CD2-OG 3.36Å; L941-S944 PolarHBondContact O-N 3.12Å; L941-D959 WeakPolarHBondContact CD1-OD2 3.28Å; L941-D959 WeakPolarHBondContact CG-OD2 3.38Å
942Q35.9Very low34.5Very low164 Ų16490.1 Ų90.177%0.76649%0.49SS*.THydrogen-bonded Turntrans-56.1-18.2168.3-160.4166.112.700112.4S944Q942-S944 VanDerWaalsContact C-N 3.28Å; Q942-S944 PolarHBondContact O-N 3.32Å
943L36.3Very low33.9Very low91 Ų9198.5 Ų98.548%0.47652%0.522SS..THydrogen-bonded Turntrans-62.1-19.1171.1-136.8147.1000115.1Y799 L941Y799-L943 HydrophobicContact CD1-CD2 3.54Å; Y799-L943 HydrophobicContact CD1-CG 4.18Å; Y799-L943 HydrophobicContact CD2-CD2 4.28Å; Y799-L943 HydrophobicContact CD2-CG 4.28Å; Y799-L943 HydrophobicContact CE1-CD1 3.98Å; Y799-L943 HydrophobicContact CE1-CD2 3.54Å; Y799-L943 HydrophobicContact CE1-CG 3.78Å; Y799-L943 HydrophobicContact CE2-CD2 4.28Å; Y799-L943 HydrophobicContact CE2-CG 3.9Å; Y799-L943 HydrophobicContact CG-CD2 3.92Å; Y799-L943 HydrophobicContact CG-CG 4.42Å; L941-L943 PolarHBondContact O-N 3.38Å
944S31.4Very low33.1Very low57 Ų57109.1 Ų109.140%0.39956%0.561SS.*SBendtrans-111.9-13.8-166.7-72.20000117.2L941 Q942 H946 L947L941-S944 WeakPolarHBondContact CD2-OG 3.36Å; L941-S944 PolarHBondContact O-N 3.12Å; Q942-S944 VanDerWaalsContact C-N 3.28Å; Q942-S944 PolarHBondContact O-N 3.32Å; S944-H946 PolarHBondContact O-N 3.42Å; S944-L947 PolarHBondContact O-N 3.12Å
945F30Very low32.6Very low151 Ų151115 Ų11566%0.66259%0.587SS**THydrogen-bonded Turntrans-74.3-9.5-169.4-125.7-86.1000115.2
946H32.8Very low32.2Very low192 Ų192119.3 Ų119.389%0.88961%0.606SS**THydrogen-bonded Turntrans-86.6-3.1179-122.2-64.4000115S944S944-H946 PolarHBondContact O-N 3.42Å
947L32.2Very low31.7Very low145 Ų145126.5 Ų126.576%0.75963%0.632SS**  trans-92.715.3-174.4-83.2168000115.5S944 I949S944-L947 PolarHBondContact O-N 3.12Å; L947-I949 VanDerWaalsContact C-N 3.29Å; L947-I949 PolarHBondContact O-N 2.88Å
948L30.8Very low31.3Very low149 Ų149131.7 Ų131.778%0.7865%0.651SS**  trans-85.715.2-179-105.1168.4000115.5
949I30.2Very low31.5Very low172 Ų172130 Ų13088%0.88264%0.644SS**SBendtrans-126.172.1170.6-49.1179.4000109.7L947L947-I949 VanDerWaalsContact C-N 3.29Å; L947-I949 PolarHBondContact O-N 2.88Å
950G27.4Very low31.8Very low68 Ų68131.1 Ų131.170%0.70165%0.646SS**SBendtrans165109.817700000113.4K952G950-K952 PolarHBondContact O-N 2.96Å
951G28.9Very low32.4Very low80 Ų80131 Ų13183%0.82564%0.642SS**  trans-82110.4-170.800000115.3
952K26.9Very low33.3Very low205 Ų205129.1 Ų129.189%0.89163%0.634SS**  trans-166.9119.7141.4-106.5155.6-170.7172.80111.8G950 R954G950-K952 PolarHBondContact O-N 2.96Å; K952-R954 PolarHBondContact O-N 2.89Å; K952-R954 VanDerWaalsContact O-N 3.13Å
953K25.4Very low34.6Very low214 Ų214121.8 Ų121.893%0.9360%0.6SS**  trans-68.1108178.5-69.4-174.1176.9-174.90111.5
954R24.3Very low36.2Very low226 Ų226117.6 Ų117.685%0.85358%0.578SS**  trans-133.294.4156.8-95.7-173.7168.5174.2-3.6108.9K952 Q956K952-R954 PolarHBondContact O-N 2.89Å; K952-R954 VanDerWaalsContact O-N 3.13Å; R954-Q956 PolarHBondContact O-N 2.88Å
955Q29Very low38.4Very low193 Ų193114.9 Ų114.990%0.90256%0.559SS**  trans-64.6102170.9-151.69410.100107.9
956Q29.8Very low40.7Very low134 Ų134107.9 Ų107.963%0.62653%0.528SS*.  trans-81.5131.5170.4-71.3-166.6-3.400109.1R954 W958R954-Q956 PolarHBondContact O-N 2.88Å; Q956-W958 HydrophobicContact CB-CZ2 4.49Å; Q956-W958 PolarHBondContact O-N 2.74Å; Q956-W958 VanDerWaalsContact O-N 3.15Å
957R30.9Very low43.2Very low173 Ų17399.3 Ų99.365%0.65349%0.489SS*.  trans-90.770.5-171.4-166-175.3-171.5160.36.5110.8G928 F960G928-R957 PolarHBondContact O-NH2 3.23Å; R957-F960 HydrophobicContact CG-CD2 3.97Å; R957-F960 HydrophobicContact CG-CE2 3.68Å
958W31.2Very low45.7Very low114 Ų11492.4 Ų92.443%0.43245%0.453SS..  trans-78.3-178.5163.7-55122.1000109.8A832 Q956 F960A832-W958 HydrophobicContact CB-CE3 4.21Å; A832-W958 HydrophobicContact CB-CH2 3.25Å; A832-W958 HydrophobicContact CB-CZ2 3.99Å; A832-W958 HydrophobicContact CB-CZ3 3.35Å; Q956-W958 HydrophobicContact CB-CZ2 4.49Å; Q956-W958 PolarHBondContact O-N 2.74Å; Q956-W958 VanDerWaalsContact O-N 3.15Å; W958-F960 VanDerWaalsContact O-CD2 3.27Å; W958-F960 WeakPolarHBondContact O-CD2 3.43Å
959D39.4Very low48.4Very low27 Ų2785.3 Ų85.314%0.14442%0.416CS..  trans6957158.9-54-43.4000119.3T937 L941T937-D959 HydrophobicContact CG2-CB 3.91Å; L941-D959 WeakPolarHBondContact CD1-OD2 3.28Å; L941-D959 WeakPolarHBondContact CG-OD2 3.38Å
960F44.9Very low51.2Low60 Ų6077.1 Ų77.126%0.26337%0.374SS..  trans-142.30.9173.1-72.8-72000117.2I927 G928 R957 W958I927-F960 VanDerWaalsContact O-CD1 3.23Å; I927-F960 WeakPolarHBondContact O-CD1 3.28Å; I927-F960 WeakPolarHBondContact O-CE1 3.37Å; G928-F960 VanDerWaalsContact O-CE1 3.3Å; G928-F960 WeakPolarHBondContact O-CE1 3.36Å; R957-F960 HydrophobicContact CG-CD2 3.97Å; R957-F960 HydrophobicContact CG-CE2 3.68Å; W958-F960 VanDerWaalsContact O-CD2 3.27Å; W958-F960 WeakPolarHBondContact O-CD2 3.43Å
961F47.4Very low54.2Low77 Ų7773.9 Ų73.934%0.33834%0.341SS..SBendtrans-105.2-11.1-164.7-66-72.4000116.8Y872 G875 L876Y872-F961 HydrophobicContact CE2-CB 4.47Å; G875-F961 WeakPolarHBondContact CA-O 3.48Å; L876-F961 HydrophobicContact CD2-CB 4.19Å; L876-F961 HydrophobicContact CD2-CD2 3.6Å; L876-F961 HydrophobicContact CD2-CE2 4.08Å; L876-F961 HydrophobicContact CD2-CG 3.85Å; L876-F961 HydrophobicContact CG-CB 4.32Å; L876-F961 HydrophobicContact CG-CG 4.46Å
962S54.3Low57Low19 Ų1970.3 Ų70.313%0.13330%0.302CS..SBendtrans-80.2-39.517639.60000112.7L965 F966S962-L965 WeakPolarHBondContact O-CB 3.43Å; S962-L965 PolarHBondContact O-N 3.36Å; S962-F966 PolarHBondContact O-N 3.44Å
963D63.1Low60Low10 Ų1060.6 Ų60.65%0.05326%0.26CS..Hα-helixtrans-84.3-25.3-158.3-49.6-15.7000111.6I927 G933 I936 L965 F966 V967I927-D963 HydrophobicContact CG2-CB 3.96Å; G933-D963 WeakPolarHBondContact CA-OD2 3.48Å; I936-D963 WeakPolarHBondContact CG2-OD1 3.42Å; D963-L965 PolarHBondContact O-N 3.45Å; D963-F966 PolarHBondContact O-N 3.31Å; D963-V967 WeakPolarHBondContact O-CB 3.46Å; D963-V967 WeakPolarHBondContact O-CG2 3.21Å; D963-V967 PolarHBondContact O-N 2.84Å
964D69.8Low63.1Low3 Ų350.4 Ų50.42%0.01622%0.216CC..Hα-helixtrans-60.1-31.9170.198.8-44.7000111.4I923 R924 I927 Q968I923-D964 HydrophobicContact CG2-CB 4.09Å; R924-D964 HydrophobicContact CG-CB 4.19Å; R924-D964 WeakPolarHBondContact CG-OD2 3.36Å; R924-D964 IonicContact CZ-OD2 3.58Å; R924-D964 VanDerWaalsContact CZ-OD2 3.24Å; R924-D964 IonicContact NE-OD2 3.91Å; R924-D964 PolarHBondContact NE-OD2 2.74Å; R924-D964 IonicContact NH2-OD2 2.71Å; R924-D964 PolarHBondContact NH2-OD2 2.97Å; I927-D964 HydrophobicContact CD1-CB 4.16Å; D964-Q968 WeakPolarHBondContact O-CG 3.44Å; D964-Q968 PolarHBondContact O-N 3.23Å; D964-Q968 PolarHBondContact O-NE2 3.41Å
965L77.5Confident66.1Low0 Ų039.7 Ų39.70%018%0.176CC..Hα-helixtrans-82.9-38178.4-157.675.7000112Y589 R871 A874 S962 D963 Q968 E969Y589-L965 HydrophobicContact CE1-CD1 3.89Å; Y589-L965 HydrophobicContact CE1-CD2 3.97Å; Y589-L965 HydrophobicContact CE1-CG 4.14Å; Y589-L965 HydrophobicContact CE2-CD2 4.23Å; Y589-L965 WeakPolarHBondContact OH-CG 3.41Å; R871-L965 HydrophobicContact CB-CD2 4Å; R871-L965 HydrophobicContact CG-CD2 4.08Å; R871-L965 WeakPolarHBondContact O-CD2 3.43Å; A874-L965 HydrophobicContact CB-CD2 3.77Å; S962-L965 WeakPolarHBondContact O-CB 3.43Å; S962-L965 PolarHBondContact O-N 3.36Å; D963-L965 PolarHBondContact O-N 3.45Å; L965-Q968 CarbonylContact O-C 3.59Å; L965-Q968 WeakPolarHBondContact O-CA 3.13Å; L965-Q968 WeakPolarHBondContact O-CB 3.4Å; L965-Q968 PolarHBondContact O-N 3.27Å; L965-Q968 VanDerWaalsContact O-N 3.11Å; L965-E969 PolarHBondContact O-N 3.04Å
966F78.9Confident68.8Low4 Ų431.2 Ų31.22%0.01814%0.137CC..Hα-helixtrans-64.6-40.9175.9-165.5-92000112.1S962 D963 Q968 E969 V970 I997 V1041 L1049S962-F966 PolarHBondContact O-N 3.44Å; D963-F966 PolarHBondContact O-N 3.31Å; F966-Q968 VanDerWaalsContact C-N 3.3Å; F966-Q968 PolarHBondContact O-N 2.91Å; F966-E969 PolarHBondContact O-N 2.91Å; F966-V970 HydrophobicContact CD1-CG2 4.32Å; F966-V970 HydrophobicContact CE1-CG2 4.08Å; F966-V970 PolarHBondContact O-N 3.34Å; F966-V970 VanDerWaalsContact O-N 3.08Å; F966-I997 HydrophobicContact CD1-CD1 3.96Å; F966-I997 HydrophobicContact CD1-CG1 4.09Å; F966-I997 HydrophobicContact CD1-CG2 4.19Å; F966-I997 HydrophobicContact CE1-CB 4.36Å; F966-I997 HydrophobicContact CE1-CD1 4.27Å; F966-I997 HydrophobicContact CE1-CG1 3.87Å; F966-I997 HydrophobicContact CE1-CG2 3.79Å; F966-V1041 HydrophobicContact CE1-CG1 4.18Å; F966-V1041 HydrophobicContact CE2-CG1 3.43Å; F966-V1041 VanDerWaalsContact CE2-CG1 3.43Å; F966-V1041 HydrophobicContact CZ-CG1 3.17Å; F966-L1049 HydrophobicContact CD2-CD2 3.97Å; F966-L1049 HydrophobicContact CE2-CD1 3.59Å; F966-L1049 HydrophobicContact CE2-CD2 3.42Å; F966-L1049 VanDerWaalsContact CE2-CD2 3.42Å; F966-L1049 HydrophobicContact CE2-CG 4.18Å; F966-L1049 HydrophobicContact CZ-CD1 3.42Å; F966-L1049 VanDerWaalsContact CZ-CD1 3.42Å; F966-L1049 HydrophobicContact CZ-CD2 3.94Å; F966-L1049 HydrophobicContact CZ-CG 4.31Å
967V84.9Confident71.5Confident13 Ų1325.2 Ų25.28%0.07911%0.108CC..Hα-helixtrans-61.2-38.4170.5166.20000111.4I900 I923 I927 D963 L971 V993 I997I900-V967 HydrophobicContact CD1-CG1 4.19Å; I900-V967 HydrophobicContact CG2-CG1 4.04Å; I923-V967 HydrophobicContact CG2-CG1 4.28Å; I927-V967 HydrophobicContact CD1-CB 4.14Å; I927-V967 HydrophobicContact CD1-CG2 3.86Å; D963-V967 WeakPolarHBondContact O-CB 3.46Å; D963-V967 WeakPolarHBondContact O-CG2 3.21Å; D963-V967 PolarHBondContact O-N 2.84Å; V967-L971 HydrophobicContact CG1-CD1 3.94Å; V967-L971 WeakPolarHBondContact O-CB 3.41Å; V967-L971 WeakPolarHBondContact O-CD1 3.26Å; V967-L971 VanDerWaalsContact O-CG 3.25Å; V967-L971 WeakPolarHBondContact O-CG 3.43Å; V967-L971 PolarHBondContact O-N 3.42Å; V967-V993 HydrophobicContact CG1-CG1 4.28Å; V967-I997 HydrophobicContact CG2-CD1 3.68Å
968Q85.7Confident74Confident0 Ų017.1 Ų17.10%08%0.078CC..Hα-helixtrans-64.1-44.1173.8-74.6171.579.700112.4L884 I923 D964 L965 F966 L971 I972L884-Q968 HydrophobicContact CD1-CB 3.91Å; L884-Q968 HydrophobicContact CD1-CG 3.79Å; L884-Q968 HydrophobicContact CD2-CG 3.7Å; L884-Q968 HydrophobicContact CG-CG 4.31Å; I923-Q968 HydrophobicContact CD1-CG 4.33Å; D964-Q968 WeakPolarHBondContact O-CG 3.44Å; D964-Q968 PolarHBondContact O-N 3.23Å; D964-Q968 PolarHBondContact O-NE2 3.41Å; L965-Q968 CarbonylContact O-C 3.59Å; L965-Q968 WeakPolarHBondContact O-CA 3.13Å; L965-Q968 WeakPolarHBondContact O-CB 3.4Å; L965-Q968 PolarHBondContact O-N 3.27Å; L965-Q968 VanDerWaalsContact O-N 3.11Å; F966-Q968 VanDerWaalsContact C-N 3.3Å; F966-Q968 PolarHBondContact O-N 2.91Å; Q968-L971 PolarHBondContact O-N 3.4Å; Q968-I972 WeakPolarHBondContact O-CB 3.21Å; Q968-I972 VanDerWaalsContact O-CD1 3.32Å; Q968-I972 WeakPolarHBondContact O-CD1 3.4Å; Q968-I972 WeakPolarHBondContact O-CG1 3.38Å; Q968-I972 PolarHBondContact O-N 3.32Å
969E86.5Confident76.2Confident0 Ų015.4 Ų15.40%07%0.071CC..Hα-helixtrans-57.8-51.3176.2-74.2-163.9-126.900112Y589 L590 R871 L965 F966 L971 I972 Y973 L1049Y589-E969 WeakPolarHBondContact OH-CG 3.5Å; Y589-E969 PolarHBondContact OH-OE1 3.09Å; L590-E969 HydrophobicContact CD2-CG 4.07Å; R871-E969 IonicContact CZ-OE1 3.56Å; R871-E969 VanDerWaalsContact CZ-OE1 3.29Å; R871-E969 IonicContact NE-OE1 3.53Å; R871-E969 PolarHBondContact NE-OE1 2.78Å; R871-E969 IonicContact NH2-OE1 2.71Å; R871-E969 PolarHBondContact NH2-OE1 3.44Å; R871-E969 IonicContact NH2-OE2 3.41Å; R871-E969 PolarHBondContact NH2-OE2 2.94Å; R871-E969 VanDerWaalsContact NH2-OE2 3.1Å; L965-E969 PolarHBondContact O-N 3.04Å; F966-E969 PolarHBondContact O-N 2.91Å; E969-L971 VanDerWaalsContact C-N 3.31Å; E969-L971 PolarHBondContact O-N 2.82Å; E969-I972 WeakPolarHBondContact O-CB 3.47Å; E969-I972 PolarHBondContact O-N 2.93Å; E969-I972 VanDerWaalsContact O-N 3.1Å; E969-Y973 HydrophobicContact CB-CD2 4.44Å; E969-Y973 HydrophobicContact CB-CE2 3.75Å; E969-Y973 WeakPolarHBondContact O-CD2 3.39Å; E969-Y973 VanDerWaalsContact O-CG 3.27Å; E969-Y973 PolarHBondContact O-N 3.13Å; E969-Y973 PolarHBondContact OE2-OH 3.27Å; E969-L1049 HydrophobicContact CB-CD2 4.23Å; E969-L1049 WeakPolarHBondContact OE2-CD2 3.44Å
970V89Confident77.9Confident0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-60-41.8179.4173.40000111F966 Y973 L974 V993 I996 I997 M1000 L1053F966-V970 HydrophobicContact CD1-CG2 4.32Å; F966-V970 HydrophobicContact CE1-CG2 4.08Å; F966-V970 PolarHBondContact O-N 3.34Å; F966-V970 VanDerWaalsContact O-N 3.08Å; V970-Y973 PolarHBondContact O-N 3.16Å; V970-L974 HydrophobicContact CG1-CD1 3.91Å; V970-L974 HydrophobicContact CG1-CG 4.34Å; V970-L974 WeakPolarHBondContact O-CB 3.1Å; V970-L974 WeakPolarHBondContact O-CG 3.23Å; V970-L974 PolarHBondContact O-N 2.84Å; V970-V993 HydrophobicContact CB-CG1 4.43Å; V970-V993 HydrophobicContact CG1-CG1 4.04Å; V970-I996 HydrophobicContact CG1-CG2 4.13Å; V970-I997 HydrophobicContact CG2-CG1 4.1Å; V970-M1000 HydrophobicContact CG2-CE 4.45Å; V970-M1000 HydrophobicContact CG2-SD 4.14Å; V970-L1053 HydrophobicContact CG1-CD2 4.21Å
971L90.7Very high79.7Confident0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-63.3-40.2174.6-74.9169.8000113L884 V888 I898 I900 I923 V967 Q968 E969 G975 V993L884-L971 HydrophobicContact CD1-CB 3.85Å; L884-L971 HydrophobicContact CD1-CD1 4.11Å; V888-L971 HydrophobicContact CG2-CB 4.29Å; V888-L971 HydrophobicContact CG2-CD1 4.19Å; V888-L971 HydrophobicContact CG2-CD2 4.25Å; V888-L971 HydrophobicContact CG2-CG 4.49Å; I898-L971 HydrophobicContact CD1-CD2 4.11Å; I898-L971 HydrophobicContact CG2-CD2 3.76Å; I900-L971 HydrophobicContact CD1-CD1 3.85Å; I923-L971 HydrophobicContact CD1-CD1 4.36Å; V967-L971 HydrophobicContact CG1-CD1 3.94Å; V967-L971 WeakPolarHBondContact O-CB 3.41Å; V967-L971 WeakPolarHBondContact O-CD1 3.26Å; V967-L971 VanDerWaalsContact O-CG 3.25Å; V967-L971 WeakPolarHBondContact O-CG 3.43Å; V967-L971 PolarHBondContact O-N 3.42Å; Q968-L971 PolarHBondContact O-N 3.4Å; E969-L971 VanDerWaalsContact C-N 3.31Å; E969-L971 PolarHBondContact O-N 2.82Å; L971-G975 PolarHBondContact O-N 2.69Å; L971-V993 HydrophobicContact CD2-CG2 3.8Å; L971-V993 HydrophobicContact CG-CG2 4.39Å
972I87.6Confident81.3Confident4 Ų416.5 Ų16.52%0.0219%0.088CC..Hα-helixtrans-63.2-48.3175.8-70158.4000110.2L590 T881 L884 A887 Q968 E969 G975 M976L590-I972 HydrophobicContact CD1-CD1 4.02Å; L590-I972 HydrophobicContact CD1-CG2 4.29Å; T881-I972 HydrophobicContact CG2-CD1 3.6Å; T881-I972 HydrophobicContact CG2-CG1 4.49Å; L884-I972 HydrophobicContact CB-CG1 4.48Å; L884-I972 HydrophobicContact CD1-CG1 4.27Å; A887-I972 HydrophobicContact CB-CG1 4.45Å; Q968-I972 WeakPolarHBondContact O-CB 3.21Å; Q968-I972 VanDerWaalsContact O-CD1 3.32Å; Q968-I972 WeakPolarHBondContact O-CD1 3.4Å; Q968-I972 WeakPolarHBondContact O-CG1 3.38Å; Q968-I972 PolarHBondContact O-N 3.32Å; E969-I972 WeakPolarHBondContact O-CB 3.47Å; E969-I972 PolarHBondContact O-N 2.93Å; E969-I972 VanDerWaalsContact O-N 3.1Å; I972-G975 CarbonylContact O-C 3.6Å; I972-G975 PolarHBondContact O-N 2.71Å; I972-M976 HydrophobicContact CG2-SD 4.39Å; I972-M976 WeakPolarHBondContact O-CG 3.44Å; I972-M976 PolarHBondContact O-N 2.78Å
973Y89.2Confident82.7Confident1 Ų119.3 Ų19.30%0.00410%0.098CC..Hα-helixtrans-65.9-40.8179.5-56.5-32.9000112.5L590 I596 E969 V970 G975 M976 F977 P1046 L1049 K1050L590-Y973 VanDerWaalsContact CD2-OH 3.29Å; L590-Y973 WeakPolarHBondContact CD2-OH 3.37Å; I596-Y973 HydrophobicContact CD1-CD1 4.37Å; I596-Y973 HydrophobicContact CD1-CE1 3.45Å; I596-Y973 VanDerWaalsContact CD1-CE1 3.45Å; E969-Y973 HydrophobicContact CB-CD2 4.44Å; E969-Y973 HydrophobicContact CB-CE2 3.75Å; E969-Y973 WeakPolarHBondContact O-CD2 3.39Å; E969-Y973 VanDerWaalsContact O-CG 3.27Å; E969-Y973 PolarHBondContact O-N 3.13Å; E969-Y973 PolarHBondContact OE2-OH 3.27Å; V970-Y973 PolarHBondContact O-N 3.16Å; Y973-G975 VanDerWaalsContact C-N 3.31Å; Y973-G975 PolarHBondContact O-N 3.27Å; Y973-M976 HydrophobicContact CD1-SD 4.11Å; Y973-M976 WeakPolarHBondContact O-CB 3.42Å; Y973-M976 PolarHBondContact O-N 2.67Å; Y973-M976 VanDerWaalsContact O-N 3.14Å; Y973-F977 WeakPolarHBondContact O-CD2 3.46Å; Y973-F977 WeakPolarHBondContact O-CG 3.47Å; Y973-F977 PolarHBondContact O-N 3.3Å; Y973-P1046 WeakPolarHBondContact OH-CB 3.49Å; Y973-P1046 PolarHBondContact OH-O 2.88Å; Y973-L1049 HydrophobicContact CE2-CB 4.4Å; Y973-L1049 HydrophobicContact CE2-CD2 4.09Å; Y973-L1049 HydrophobicContact CE2-CG 4.13Å; Y973-K1050 HydrophobicContact CD1-CB 4.03Å; Y973-K1050 HydrophobicContact CD1-CD 4.49Å; Y973-K1050 HydrophobicContact CD1-CG 4.11Å; Y973-K1050 HydrophobicContact CD2-CB 4Å; Y973-K1050 HydrophobicContact CE1-CB 4.15Å; Y973-K1050 HydrophobicContact CE2-CB 4.12Å; Y973-K1050 HydrophobicContact CG-CB 3.99Å; Y973-K1050 HydrophobicContact CG-CG 4.17Å
974L91.9Very high83.8Confident0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-57-44.9170.9-71.1168.5000110.9L891 V970 M976 F977 I978 F985 I996 L1053 L1057L891-L974 HydrophobicContact CD1-CB 3.84Å; L891-L974 HydrophobicContact CD2-CB 4.01Å; V970-L974 HydrophobicContact CG1-CD1 3.91Å; V970-L974 HydrophobicContact CG1-CG 4.34Å; V970-L974 WeakPolarHBondContact O-CB 3.1Å; V970-L974 WeakPolarHBondContact O-CG 3.23Å; V970-L974 PolarHBondContact O-N 2.84Å; L974-M976 VanDerWaalsContact C-N 3.34Å; L974-M976 PolarHBondContact O-N 3.42Å; L974-F977 PolarHBondContact O-N 2.94Å; L974-I978 PolarHBondContact O-N 2.99Å; L974-F985 HydrophobicContact CD2-CE1 3.85Å; L974-F985 HydrophobicContact CD2-CZ 4.16Å; L974-I996 HydrophobicContact CD1-CD1 4.27Å; L974-L1053 HydrophobicContact CD2-CD1 4.44Å; L974-L1053 HydrophobicContact CD2-CD2 4.3Å; L974-L1053 HydrophobicContact CG-CD2 4.19Å; L974-L1057 HydrophobicContact CD2-CD1 3.83Å; L974-L1057 HydrophobicContact CD2-CD2 4.37Å
975G87.6Confident84.6Confident1 Ų119 Ų191%0.0110%0.097CC..Hα-helixtrans-70.9-20.5176.200000115.2L971 I972 Y973 R979L971-G975 PolarHBondContact O-N 2.69Å; I972-G975 CarbonylContact O-C 3.6Å; I972-G975 PolarHBondContact O-N 2.71Å; Y973-G975 VanDerWaalsContact C-N 3.31Å; Y973-G975 PolarHBondContact O-N 3.27Å; G975-R979 WeakPolarHBondContact O-CG 3.33Å; G975-R979 PolarHBondContact O-NE 3.37Å
976M84.2Confident84.8Confident16 Ų1622.6 Ų22.68%0.07912%0.119CC..Hα-helixtrans-73.6-53.6165.5-68176.182.200110.1I972 Y973 L974 I978 R979 T980I972-M976 HydrophobicContact CG2-SD 4.39Å; I972-M976 WeakPolarHBondContact O-CG 3.44Å; I972-M976 PolarHBondContact O-N 2.78Å; Y973-M976 HydrophobicContact CD1-SD 4.11Å; Y973-M976 WeakPolarHBondContact O-CB 3.42Å; Y973-M976 PolarHBondContact O-N 2.67Å; Y973-M976 VanDerWaalsContact O-N 3.14Å; L974-M976 VanDerWaalsContact C-N 3.34Å; L974-M976 PolarHBondContact O-N 3.42Å; M976-I978 VanDerWaalsContact C-N 3.32Å; M976-I978 PolarHBondContact O-N 3.11Å; M976-R979 WeakPolarHBondContact O-CB 3.27Å; M976-R979 PolarHBondContact O-N 2.93Å; M976-T980 PolarHBondContact O-N 3Å; M976-T980 VanDerWaalsContact O-N 3.07Å; M976-T980 PolarHBondContact O-OG1 2.96Å
977F87Confident84.7Confident8 Ų825.2 Ų25.24%0.03513%0.131CC..Hα-helixtrans-61.6-35.6-176.4-64.9-44.1000113.1Y973 L974 R979 T980 E981 L984 F985 K1050 L1053 H1054 L1057Y973-F977 WeakPolarHBondContact O-CD2 3.46Å; Y973-F977 WeakPolarHBondContact O-CG 3.47Å; Y973-F977 PolarHBondContact O-N 3.3Å; L974-F977 PolarHBondContact O-N 2.94Å; F977-R979 VanDerWaalsContact C-N 3.25Å; F977-R979 PolarHBondContact O-N 2.69Å; F977-T980 PolarHBondContact O-N 3.01Å; F977-E981 CarbonylContact O-C 3.53Å; F977-E981 VanDerWaalsContact O-CA 3.29Å; F977-E981 WeakPolarHBondContact O-CA 3.09Å; F977-E981 PolarHBondContact O-N 3.3Å; F977-L984 HydrophobicContact CB-CD1 4.3Å; F977-F985 HydrophobicContact CB-CE2 3.83Å; F977-F985 HydrophobicContact CB-CZ 3.92Å; F977-K1050 HydrophobicContact CE1-CG 4.29Å; F977-K1050 HydrophobicContact CE2-CG 4.39Å; F977-K1050 HydrophobicContact CZ-CD 4.5Å; F977-K1050 HydrophobicContact CZ-CG 3.61Å; F977-K1050 WeakPolarHBondContact CZ-O 3.38Å; F977-L1053 HydrophobicContact CD2-CD2 4.41Å; F977-L1053 HydrophobicContact CE2-CB 4.3Å; F977-L1053 HydrophobicContact CE2-CD2 4.03Å; F977-L1053 HydrophobicContact CE2-CG 4.02Å; F977-H1054 AromaticContact CD1-CD2 3.83Å; F977-H1054 HydrophobicContact CE1-CB 4.14Å; F977-H1054 AromaticContact CE1-CD2 3.51Å; F977-H1054 HydrophobicContact CE2-CB 4.31Å; F977-H1054 HydrophobicContact CZ-CB 3.73Å; F977-H1054 AromaticContact CZ-CD2 3.97Å; F977-L1057 HydrophobicContact CD2-CD1 3.86Å; F977-L1057 HydrophobicContact CE2-CD1 4.4Å
978I84Confident84.7Confident2 Ų224.6 Ų24.61%0.0113%0.127CC..Hα-helixtrans-73.8-17.1177.4-149.6174.5000113.2A890 L891 R894 K896 L974 M976 F985A890-I978 HydrophobicContact CB-CG2 4.43Å; L891-I978 HydrophobicContact CD2-CB 3.93Å; L891-I978 HydrophobicContact CD2-CD1 3.9Å; L891-I978 HydrophobicContact CD2-CG1 4.5Å; L891-I978 HydrophobicContact CD2-CG2 3.73Å; L891-I978 HydrophobicContact CG-CG2 4.14Å; R894-I978 HydrophobicContact CB-CD1 3.78Å; R894-I978 HydrophobicContact CB-CG1 4.45Å; R894-I978 WeakPolarHBondContact CD-O 3.31Å; R894-I978 PolarHBondContact NE-O 3.25Å; K896-I978 HydrophobicContact CD-CD1 4.45Å; K896-I978 HydrophobicContact CG-CD1 3.54Å; L974-I978 PolarHBondContact O-N 2.99Å; M976-I978 VanDerWaalsContact C-N 3.32Å; M976-I978 PolarHBondContact O-N 3.11Å; I978-F985 HydrophobicContact CB-CD2 4.07Å; I978-F985 HydrophobicContact CB-CE2 3.73Å; I978-F985 HydrophobicContact CB-CZ 3.96Å; I978-F985 HydrophobicContact CD1-CD1 4.32Å; I978-F985 HydrophobicContact CD1-CD2 4.36Å; I978-F985 HydrophobicContact CD1-CG 4.17Å; I978-F985 HydrophobicContact CG1-CD2 3.77Å; I978-F985 HydrophobicContact CG1-CE2 3.98Å; I978-F985 HydrophobicContact CG1-CG 4.08Å; I978-F985 HydrophobicContact CG1-CZ 4.43Å
979R77.3Confident84.6Confident79 Ų7925.3 Ų25.330%0.29813%0.131SC..Hα-helixtrans-82.1-41.8170.7-69.1-173-61.7138.51.4111.6E604 A890 G975 M976 F977E604-R979 IonicContact OE1-CZ 3.68Å; E604-R979 VanDerWaalsContact OE1-CZ 3.23Å; E604-R979 IonicContact OE1-NH1 3.84Å; E604-R979 PolarHBondContact OE1-NH1 3.03Å; E604-R979 IonicContact OE1-NH2 2.65Å; E604-R979 PolarHBondContact OE1-NH2 3.28Å; E604-R979 IonicContact OE2-NH1 3.66Å; A890-R979 HydrophobicContact CB-CG 4.07Å; G975-R979 WeakPolarHBondContact O-CG 3.33Å; G975-R979 PolarHBondContact O-NE 3.37Å; M976-R979 WeakPolarHBondContact O-CB 3.27Å; M976-R979 PolarHBondContact O-N 2.93Å; F977-R979 VanDerWaalsContact C-N 3.25Å; F977-R979 PolarHBondContact O-N 2.69Å
980T75.6Confident84.6Confident58 Ų5825.6 Ų25.636%0.35613%0.132SC..Hα-helixtrans-91.3-35.4-174.458.40000114.3M976 F977M976-T980 PolarHBondContact O-N 3Å; M976-T980 VanDerWaalsContact O-N 3.07Å; M976-T980 PolarHBondContact O-OG1 2.96Å; F977-T980 PolarHBondContact O-N 3.01Å
981E81.6Confident84.7Confident58 Ų5825.6 Ų25.627%0.27113%0.132SC..  trans-13958.3-171.8-69-175.4-95.900111.4F977 H983 L984 H1054F977-E981 CarbonylContact O-C 3.53Å; F977-E981 VanDerWaalsContact O-CA 3.29Å; F977-E981 WeakPolarHBondContact O-CA 3.09Å; F977-E981 PolarHBondContact O-N 3.3Å; E981-H983 PolarHBondContact O-N 3.35Å; E981-H983 IonicContact OE2-CE1 3.76Å; E981-H983 IonicContact OE2-NE2 2.7Å; E981-L984 HydrophobicContact CB-CD1 3.7Å; E981-L984 HydrophobicContact CB-CG 4Å; E981-L984 WeakPolarHBondContact O-CG 3.14Å; E981-L984 PolarHBondContact O-N 3.37Å; E981-H1054 IonicContact OE1-CD2 2.78Å; E981-H1054 IonicContact OE1-CE1 3.69Å; E981-H1054 IonicContact OE1-NE2 3.87Å; E981-H1054 PolarHBondContact OE1-NE2 2.87Å; E981-H1054 IonicContact OE2-CE1 3.44Å; E981-H1054 IonicContact OE2-NE2 3.67Å; E981-H1054 PolarHBondContact OE2-NE2 3.09Å
982P81.5Confident84.6Confident71 Ų7125.7 Ų25.746%0.46113%0.132SC..G310 helixtrans-56.6-25.2-175.122.3-34.3000114L984 F985P982-L984 PolarHBondContact O-N 2.9Å; P982-F985 PolarHBondContact O-N 2.89Å; P982-F985 VanDerWaalsContact O-N 3.1Å
983H82.6Confident84.7Confident77 Ų7725.6 Ų25.636%0.35613%0.132SC..G310 helixtrans-61.4-18.3176.672.8-102.6000114.4E981 F985 T986 K1080E981-H983 PolarHBondContact O-N 3.35Å; E981-H983 IonicContact OE2-CE1 3.76Å; E981-H983 IonicContact OE2-NE2 2.7Å; H983-F985 PolarHBondContact O-N 3.03Å; H983-T986 PolarHBondContact O-N 3.3Å; H983-T986 PolarHBondContact O-OG1 2.76Å; H983-K1080 PolarHBondContact CD2-NZ 3.43Å; H983-K1080 PolarHBondContact NE2-NZ 3.05Å
984L86.1Confident84.3Confident6 Ų626 Ų263%0.03114%0.137CC..G310 helixtrans-65.1-26.5175.3-66.2172000111.3F977 E981 P982 R1131F977-L984 HydrophobicContact CB-CD1 4.3Å; E981-L984 HydrophobicContact CB-CD1 3.7Å; E981-L984 HydrophobicContact CB-CG 4Å; E981-L984 WeakPolarHBondContact O-CG 3.14Å; E981-L984 PolarHBondContact O-N 3.37Å; P982-L984 PolarHBondContact O-N 2.9Å; L984-R1131 PolarHBondContact O-NH1 3.41Å; L984-R1131 PolarHBondContact O-NH2 2.97Å
985F88.3Confident83.9Confident1 Ų126.1 Ų26.10%0.00414%0.138CC..G310 helixtrans-100.913.7-175-53-102.1000113.1L891 K896 L974 F977 I978 P982 H983 M988 L991 L1057L891-F985 HydrophobicContact CD2-CE1 4.17Å; K896-F985 PolarHBondContact NZ-O 3.47Å; L974-F985 HydrophobicContact CD2-CE1 3.85Å; L974-F985 HydrophobicContact CD2-CZ 4.16Å; F977-F985 HydrophobicContact CB-CE2 3.83Å; F977-F985 HydrophobicContact CB-CZ 3.92Å; I978-F985 HydrophobicContact CB-CD2 4.07Å; I978-F985 HydrophobicContact CB-CE2 3.73Å; I978-F985 HydrophobicContact CB-CZ 3.96Å; I978-F985 HydrophobicContact CD1-CD1 4.32Å; I978-F985 HydrophobicContact CD1-CD2 4.36Å; I978-F985 HydrophobicContact CD1-CG 4.17Å; I978-F985 HydrophobicContact CG1-CD2 3.77Å; I978-F985 HydrophobicContact CG1-CE2 3.98Å; I978-F985 HydrophobicContact CG1-CG 4.08Å; I978-F985 HydrophobicContact CG1-CZ 4.43Å; P982-F985 PolarHBondContact O-N 2.89Å; P982-F985 VanDerWaalsContact O-N 3.1Å; H983-F985 PolarHBondContact O-N 3.03Å; F985-M988 PolarHBondContact O-N 3.25Å; F985-L991 HydrophobicContact CD1-CD1 3.99Å; F985-L991 HydrophobicContact CD1-CD2 3.98Å; F985-L991 HydrophobicContact CE1-CD1 3.85Å; F985-L991 HydrophobicContact CE1-CD2 4.37Å; F985-L1057 HydrophobicContact CZ-CD1 4.36Å
986T80.5Confident83.9Confident75 Ų7526.1 Ų26.146%0.4614%0.137SC..THydrogen-bonded Turntrans-63.7138.6171.1-57.80000109.8H983 M988 R1131H983-T986 PolarHBondContact O-N 3.3Å; H983-T986 PolarHBondContact O-OG1 2.76Å; T986-M988 PolarHBondContact O-N 2.96Å; T986-R1131 PolarHBondContact O-NH1 2.89Å
987E76.8Confident83.8Confident59 Ų5926.1 Ų26.128%0.27614%0.137SC..THydrogen-bonded Turntrans51.926.7-171.9-51.6-36.194.700116.5V1132E987-V1132 HydrophobicContact CB-CG2 3.97Å; E987-V1132 WeakPolarHBondContact CB-O 3.49Å; E987-V1132 PolarHBondContact O-N 2.97Å; E987-V1132 VanDerWaalsContact O-N 3.14Å
988M85.8Confident83.4Confident0 Ų026.6 Ų26.60%014%0.139CC..  trans-120118.2170.7-64.8167.155.700109.1K896 F985 T986 L991 L1057 L1129 R1131K896-M988 WeakPolarHBondContact CD-O 3.25Å; K896-M988 PolarHBondContact NZ-O 2.93Å; F985-M988 PolarHBondContact O-N 3.25Å; T986-M988 PolarHBondContact O-N 2.96Å; M988-L991 HydrophobicContact CB-CD2 4.44Å; M988-L991 HydrophobicContact CE-CD2 3.55Å; M988-L1057 HydrophobicContact CE-CD2 4.03Å; M988-L1129 HydrophobicContact CE-CB 3.96Å; M988-L1129 HydrophobicContact CE-CD2 4.04Å; M988-L1129 HydrophobicContact CE-CG 4.43Å; M988-L1129 WeakPolarHBondContact CG-O 3.42Å; M988-L1129 HydrophobicContact SD-CB 4.37Å; M988-R1131 HydrophobicContact CG-CB 4.03Å; M988-R1131 HydrophobicContact CG-CG 4.31Å; M988-R1131 PolarHBondContact SD-NH1 3.37Å; M988-R1131 PolarHBondContact SD-NH2 3.11Å
989M82.2Confident83.1Confident16 Ų1627.1 Ų27.18%0.07914%0.143CC..  trans-99.9-49.6-175.1-51.6-86.8-75.500111K896 Q897 Y1137 Y1170 A1173 L1174 E1177K896-M989 CarbonylContact C-O 3.51Å; K896-M989 WeakPolarHBondContact CA-O 3.37Å; Q897-M989 PolarHBondContact N-O 2.82Å; M989-Y1137 HydrophobicContact CG-CE2 3.99Å; M989-Y1137 HydrophobicContact SD-CE2 4.25Å; M989-Y1170 HydrophobicContact CE-CD1 3.85Å; M989-Y1170 HydrophobicContact CE-CD2 3.65Å; M989-Y1170 HydrophobicContact CE-CE1 3.56Å; M989-Y1170 HydrophobicContact CE-CE2 3.31Å; M989-Y1170 HydrophobicContact CE-CG 3.92Å; M989-Y1170 HydrophobicContact SD-CD2 4.34Å; M989-Y1170 HydrophobicContact SD-CE1 4.43Å; M989-Y1170 HydrophobicContact SD-CE2 3.53Å; M989-Y1170 VanDerWaalsContact SD-CE2 3.53Å; M989-Y1170 VanDerWaalsContact SD-CZ 3.6Å; M989-A1173 HydrophobicContact CE-CB 3.45Å; M989-A1173 VanDerWaalsContact CE-CB 3.45Å; M989-L1174 HydrophobicContact CB-CD2 4.46Å; M989-L1174 HydrophobicContact CE-CD2 4.31Å; M989-L1174 HydrophobicContact CE-CG 4.27Å; M989-E1177 WeakPolarHBondContact CB-OE2 3.36Å
990R87.6Confident83.2Confident6 Ų623.4 Ų23.42%0.02313%0.129CC..EExtended strand (participates in β ladder)trans-111.9128.7176-172.6175.5-64.5141.19.8112Q897 T899 R992 E1177 N1181Q897-R990 HydrophobicContact CB-CB 4.21Å; Q897-R990 HydrophobicContact CB-CG 4.06Å; Q897-R990 CarbonylContact O-C 3.59Å; Q897-R990 WeakPolarHBondContact O-CA 3.26Å; T899-R990 HydrophobicContact CG2-CG 4.35Å; R990-R992 HydrophobicContact CG-CG 4.39Å; R990-E1177 WeakPolarHBondContact CB-OE1 3.21Å; R990-E1177 WeakPolarHBondContact CB-OE2 3.38Å; R990-E1177 IonicContact CZ-OE1 3.2Å; R990-E1177 PolarHBondContact N-OE2 3.14Å; R990-E1177 IonicContact NE-OE1 3.65Å; R990-E1177 IonicContact NH1-OE1 2.68Å; R990-E1177 IonicContact NH2-OE1 3.1Å; R990-N1181 PolarHBondContact NH1-ND2 2.84Å
991L90.9Very high83.1Confident0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-96.7107.8177.3-52.6178.3000109.2L891 K896 Q897 T899 F985 M988 V993 I996L891-L991 HydrophobicContact CD2-CD1 3.69Å; K896-L991 HydrophobicContact CB-CD1 4.28Å; K896-L991 HydrophobicContact CB-CG 4.47Å; Q897-L991 PolarHBondContact O-N 2.61Å; T899-L991 PolarHBondContact N-O 2.79Å; F985-L991 HydrophobicContact CD1-CD1 3.99Å; F985-L991 HydrophobicContact CD1-CD2 3.98Å; F985-L991 HydrophobicContact CE1-CD1 3.85Å; F985-L991 HydrophobicContact CE1-CD2 4.37Å; M988-L991 HydrophobicContact CB-CD2 4.44Å; M988-L991 HydrophobicContact CE-CD2 3.55Å; L991-V993 PolarHBondContact O-N 2.84Å; L991-I996 HydrophobicContact CB-CD1 4.32Å
992R89.5Confident82.6Confident2 Ų219.9 Ų19.91%0.00811%0.113CC..EExtended strand (participates in β ladder)trans-91.993-176.6-54-178.280.3170.54.9109.4T899 E907 R990 G994 L995 I996 N1181T899-R992 WeakPolarHBondContact OG1-CA 3.45Å; T899-R992 WeakPolarHBondContact OG1-CG 3.45Å; E907-R992 IonicContact OE1-CZ 3.2Å; E907-R992 IonicContact OE1-NE 2.69Å; E907-R992 PolarHBondContact OE1-NE 3.3Å; E907-R992 IonicContact OE1-NH2 3.88Å; E907-R992 IonicContact OE2-CZ 2.93Å; E907-R992 IonicContact OE2-NE 2.87Å; E907-R992 PolarHBondContact OE2-NE 3.24Å; E907-R992 IonicContact OE2-NH2 2.86Å; E907-R992 PolarHBondContact OE2-NH2 3.45Å; R990-R992 HydrophobicContact CG-CG 4.39Å; R992-G994 VanDerWaalsContact C-N 3.31Å; R992-G994 PolarHBondContact O-N 3.34Å; R992-L995 HydrophobicContact CB-CB 4.18Å; R992-L995 HydrophobicContact CB-CD1 4.21Å; R992-L995 HydrophobicContact CB-CG 4.26Å; R992-L995 PolarHBondContact O-N 3.02Å; R992-L995 VanDerWaalsContact O-N 3.12Å; R992-I996 WeakPolarHBondContact O-CG1 3.44Å; R992-I996 PolarHBondContact O-N 3.32Å; R992-N1181 WeakPolarHBondContact CD-OD1 3.46Å; R992-N1181 VanDerWaalsContact CZ-OD1 3.25Å; R992-N1181 PolarHBondContact NE-OD1 2.91Å; R992-N1181 PolarHBondContact NH1-O 3.26Å; R992-N1181 VanDerWaalsContact NH1-O 3.12Å; R992-N1181 PolarHBondContact NH1-OD1 3.27Å; R992-N1181 PolarHBondContact NH2-O 3.23Å; R992-N1181 VanDerWaalsContact NH2-O 3.1Å
993V89.4Confident82.2Confident1 Ų116.9 Ų16.91%0.0069%0.092CC..Hα-helixtrans-61.1-39.7-167.3-1780000111.6I898 T899 I900 V967 V970 L971 L991 L995 I996 I997I898-V993 HydrophobicContact CG2-CG2 3.91Å; T899-V993 WeakPolarHBondContact O-CB 3.39Å; T899-V993 WeakPolarHBondContact O-CG2 3.29Å; T899-V993 PolarHBondContact O-N 3.1Å; I900-V993 HydrophobicContact CG1-CG2 4.48Å; V967-V993 HydrophobicContact CG1-CG1 4.28Å; V970-V993 HydrophobicContact CB-CG1 4.43Å; V970-V993 HydrophobicContact CG1-CG1 4.04Å; L971-V993 HydrophobicContact CD2-CG2 3.8Å; L971-V993 HydrophobicContact CG-CG2 4.39Å; L991-V993 PolarHBondContact O-N 2.84Å; V993-L995 PolarHBondContact O-N 3.34Å; V993-I996 PolarHBondContact O-N 3.13Å; V993-I997 HydrophobicContact CG1-CD1 3.82Å; V993-I997 HydrophobicContact CG1-CG1 4.37Å; V993-I997 VanDerWaalsContact O-CG1 3.24Å; V993-I997 WeakPolarHBondContact O-CG1 3.5Å; V993-I997 PolarHBondContact O-N 3.22Å
994G81.1Confident81.6Confident11 Ų1113.9 Ų13.911%0.1138%0.079CC..Hα-helixtrans-58.9-46.7174.100000113.5R992 I996 I997 Q998R992-G994 VanDerWaalsContact C-N 3.31Å; R992-G994 PolarHBondContact O-N 3.34Å; G994-I996 PolarHBondContact O-N 3.45Å; G994-I997 PolarHBondContact O-N 3Å; G994-Q998 WeakPolarHBondContact O-CB 3.48Å; G994-Q998 PolarHBondContact O-N 3.14Å
995L82.9Confident80.6Confident2 Ų213.8 Ų13.81%0.018%0.079CC..Hα-helixtrans-68.6-33.4177.3-63.5-175.3000112.4M902 P903 R992 V993 Q998 V999 F1018 A1128M902-L995 HydrophobicContact CE-CD2 3.97Å; M902-L995 HydrophobicContact SD-CD2 3.76Å; M902-L995 HydrophobicContact SD-CG 4.3Å; P903-L995 HydrophobicContact CG-CD2 4.31Å; R992-L995 HydrophobicContact CB-CB 4.18Å; R992-L995 HydrophobicContact CB-CD1 4.21Å; R992-L995 HydrophobicContact CB-CG 4.26Å; R992-L995 PolarHBondContact O-N 3.02Å; R992-L995 VanDerWaalsContact O-N 3.12Å; V993-L995 PolarHBondContact O-N 3.34Å; L995-Q998 PolarHBondContact O-N 2.96Å; L995-V999 WeakPolarHBondContact O-CG2 3.32Å; L995-V999 PolarHBondContact O-N 3.23Å; L995-F1018 HydrophobicContact CD2-CE1 4.12Å; L995-A1128 HydrophobicContact CB-CB 4.02Å
996I86.9Confident79.6Confident0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-61.7-48.4172.6-69.7165.9000109.9V970 L974 L991 R992 V993 G994 Q998 V999 M1000 L1053 L1129V970-I996 HydrophobicContact CG1-CG2 4.13Å; L974-I996 HydrophobicContact CD1-CD1 4.27Å; L991-I996 HydrophobicContact CB-CD1 4.32Å; R992-I996 WeakPolarHBondContact O-CG1 3.44Å; R992-I996 PolarHBondContact O-N 3.32Å; V993-I996 PolarHBondContact O-N 3.13Å; G994-I996 PolarHBondContact O-N 3.45Å; I996-Q998 PolarHBondContact O-N 3.35Å; I996-V999 PolarHBondContact O-N 3.29Å; I996-M1000 HydrophobicContact CG2-SD 4.03Å; I996-M1000 VanDerWaalsContact O-CG 3.31Å; I996-M1000 WeakPolarHBondContact O-CG 3.06Å; I996-M1000 PolarHBondContact O-N 3.41Å; I996-L1053 HydrophobicContact CG2-CD1 3.56Å; I996-L1129 HydrophobicContact CD1-CD2 4.42Å; I996-L1129 HydrophobicContact CG1-CD2 3.91Å
997I82.2Confident78.8Confident16 Ų1616.6 Ų16.68%0.0829%0.093CC..Hα-helixtrans-60.3-44.3176.9-68.9168.2000111F966 V967 V970 V993 G994 V999 M1000 I1001F966-I997 HydrophobicContact CD1-CD1 3.96Å; F966-I997 HydrophobicContact CD1-CG1 4.09Å; F966-I997 HydrophobicContact CD1-CG2 4.19Å; F966-I997 HydrophobicContact CE1-CB 4.36Å; F966-I997 HydrophobicContact CE1-CD1 4.27Å; F966-I997 HydrophobicContact CE1-CG1 3.87Å; F966-I997 HydrophobicContact CE1-CG2 3.79Å; V967-I997 HydrophobicContact CG2-CD1 3.68Å; V970-I997 HydrophobicContact CG2-CG1 4.1Å; V993-I997 HydrophobicContact CG1-CD1 3.82Å; V993-I997 HydrophobicContact CG1-CG1 4.37Å; V993-I997 VanDerWaalsContact O-CG1 3.24Å; V993-I997 WeakPolarHBondContact O-CG1 3.5Å; V993-I997 PolarHBondContact O-N 3.22Å; G994-I997 PolarHBondContact O-N 3Å; I997-V999 VanDerWaalsContact C-N 3.33Å; I997-V999 PolarHBondContact O-N 3.05Å; I997-M1000 WeakPolarHBondContact O-CB 3.2Å; I997-M1000 PolarHBondContact O-N 3.18Å; I997-M1000 VanDerWaalsContact O-N 3.11Å; I997-I1001 HydrophobicContact CG2-CD1 4Å; I997-I1001 WeakPolarHBondContact O-CG1 3.21Å; I997-I1001 PolarHBondContact O-N 3.05Å
998Q77.8Confident78.1Confident18 Ų1817.8 Ų17.88%0.08410%0.101CC..Hα-helixtrans-61.9-38.8177.4-166.3-174.217.900112.4G994 L995 I996 S1002G994-Q998 WeakPolarHBondContact O-CB 3.48Å; G994-Q998 PolarHBondContact O-N 3.14Å; L995-Q998 PolarHBondContact O-N 2.96Å; I996-Q998 PolarHBondContact O-N 3.35Å; Q998-S1002 WeakPolarHBondContact O-CB 3.48Å; Q998-S1002 PolarHBondContact O-N 3.34Å
999V79.4Confident77Confident14 Ų1425.6 Ų25.69%0.08513%0.131CC..Hα-helixtrans-67.6-37.3173169.80000111.6L995 I996 I997 S1002 E1003 I1056 I1125 A1128L995-V999 WeakPolarHBondContact O-CG2 3.32Å; L995-V999 PolarHBondContact O-N 3.23Å; I996-V999 PolarHBondContact O-N 3.29Å; I997-V999 VanDerWaalsContact C-N 3.33Å; I997-V999 PolarHBondContact O-N 3.05Å; V999-S1002 PolarHBondContact O-N 3.27Å; V999-E1003 HydrophobicContact CG1-CG 4.42Å; V999-E1003 WeakPolarHBondContact O-CB 3.47Å; V999-E1003 PolarHBondContact O-N 2.91Å; V999-I1056 HydrophobicContact CG1-CD1 4.12Å; V999-I1056 HydrophobicContact CG1-CG1 4.24Å; V999-I1056 HydrophobicContact CG1-CG2 3.81Å; V999-I1125 HydrophobicContact CG1-CG1 3.92Å; V999-A1128 HydrophobicContact CG2-CB 3.54Å
1000M79.6Confident75.7Confident0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-61.5-47.3174.9-68.3170.674.100111.8V970 I996 I997 E1003 L1004 L1049 L1052 L1053 I1056V970-M1000 HydrophobicContact CG2-CE 4.45Å; V970-M1000 HydrophobicContact CG2-SD 4.14Å; I996-M1000 HydrophobicContact CG2-SD 4.03Å; I996-M1000 VanDerWaalsContact O-CG 3.31Å; I996-M1000 WeakPolarHBondContact O-CG 3.06Å; I996-M1000 PolarHBondContact O-N 3.41Å; I997-M1000 WeakPolarHBondContact O-CB 3.2Å; I997-M1000 PolarHBondContact O-N 3.18Å; I997-M1000 VanDerWaalsContact O-N 3.11Å; M1000-E1003 PolarHBondContact O-N 2.98Å; M1000-L1004 PolarHBondContact O-N 3.25Å; M1000-L1049 HydrophobicContact CE-CD1 3.3Å; M1000-L1049 HydrophobicContact CE-CG 4.04Å; M1000-L1052 HydrophobicContact CB-CD2 4.04Å; M1000-L1052 HydrophobicContact CB-CG 4.43Å; M1000-L1052 HydrophobicContact CE-CD2 4.29Å; M1000-L1052 HydrophobicContact CE-CG 4.34Å; M1000-L1052 HydrophobicContact CG-CD2 4.49Å; M1000-L1052 HydrophobicContact CG-CG 4.41Å; M1000-L1053 HydrophobicContact CE-CB 3.86Å; M1000-L1053 HydrophobicContact SD-CB 4.23Å; M1000-L1053 HydrophobicContact SD-CD1 3.95Å; M1000-I1056 HydrophobicContact CB-CD1 4.13Å; M1000-I1056 HydrophobicContact CG-CD1 3.46Å; M1000-I1056 VanDerWaalsContact CG-CD1 3.46Å
1001I73.3Confident73.6Confident9 Ų932.3 Ų32.35%0.04618%0.177CC..Hα-helixtrans-63-44.5175.6-61.5164.9000110.7M935 I936 I997 E1003 L1004 A1005 A1037 A1038 V1041M935-I1001 HydrophobicContact CE-CD1 3.81Å; M935-I1001 HydrophobicContact CE-CG2 4.19Å; I936-I1001 HydrophobicContact CG1-CD1 4.45Å; I997-I1001 HydrophobicContact CG2-CD1 4Å; I997-I1001 WeakPolarHBondContact O-CG1 3.21Å; I997-I1001 PolarHBondContact O-N 3.05Å; I1001-E1003 VanDerWaalsContact C-N 3.34Å; I1001-E1003 PolarHBondContact O-N 3.02Å; I1001-L1004 PolarHBondContact O-N 2.94Å; I1001-A1005 WeakPolarHBondContact O-CB 3.47Å; I1001-A1005 PolarHBondContact O-N 3.21Å; I1001-A1037 HydrophobicContact CG2-CB 4.08Å; I1001-A1038 HydrophobicContact CG2-CB 4.44Å; I1001-V1041 HydrophobicContact CB-CG2 4.42Å; I1001-V1041 HydrophobicContact CG1-CB 4.27Å; I1001-V1041 HydrophobicContact CG1-CG1 4.21Å; I1001-V1041 HydrophobicContact CG1-CG2 3.92Å
1002S70.2Confident71.2Confident34 Ų3433.4 Ų33.424%0.23819%0.188CC..Hα-helixtrans-65.5-32.9179.7-1730000113.6Q998 V999 R1006Q998-S1002 WeakPolarHBondContact O-CB 3.48Å; Q998-S1002 PolarHBondContact O-N 3.34Å; V999-S1002 PolarHBondContact O-N 3.27Å; S1002-R1006 PolarHBondContact O-N 3.36Å
1003E73.6Confident68.7Low8 Ų838.2 Ų38.24%0.03722%0.218CC..Hα-helixtrans-77.3-35.4174.9-79.3-61.3125.700112.3V999 M1000 I1001 R1006 G1007 L1052 I1056 M1062 R1121V999-E1003 HydrophobicContact CG1-CG 4.42Å; V999-E1003 WeakPolarHBondContact O-CB 3.47Å; V999-E1003 PolarHBondContact O-N 2.91Å; M1000-E1003 PolarHBondContact O-N 2.98Å; I1001-E1003 VanDerWaalsContact C-N 3.34Å; I1001-E1003 PolarHBondContact O-N 3.02Å; E1003-R1006 PolarHBondContact O-N 2.78Å; E1003-R1006 IonicContact OE1-NE 3.88Å; E1003-R1006 PolarHBondContact OE1-NE 3.17Å; E1003-R1006 IonicContact OE2-CZ 3.94Å; E1003-R1006 IonicContact OE2-NE 2.9Å; E1003-R1006 PolarHBondContact OE2-NE 3.47Å; E1003-R1006 VanDerWaalsContact OE2-NE 3.16Å; E1003-R1006 IonicContact OE2-NH2 3.73Å; E1003-R1006 PolarHBondContact OE2-NH2 2.93Å; E1003-G1007 PolarHBondContact O-N 3.39Å; E1003-L1052 HydrophobicContact CB-CD1 4.38Å; E1003-I1056 HydrophobicContact CB-CD1 4.48Å; E1003-I1056 HydrophobicContact CG-CG1 4.4Å; E1003-M1062 VanDerWaalsContact O-CE 3.27Å; E1003-M1062 WeakPolarHBondContact O-CE 3.4Å; E1003-R1121 VanDerWaalsContact CD-NH2 3.32Å; E1003-R1121 WeakPolarHBondContact OE1-CD 3.26Å; E1003-R1121 IonicContact OE1-CZ 3.75Å; E1003-R1121 IonicContact OE1-NE 2.77Å; E1003-R1121 PolarHBondContact OE1-NE 3.1Å; E1003-R1121 IonicContact OE1-NH2 3.13Å; E1003-R1121 IonicContact OE2-CZ 3.5Å; E1003-R1121 VanDerWaalsContact OE2-CZ 3.29Å; E1003-R1121 IonicContact OE2-NE 2.78Å; E1003-R1121 PolarHBondContact OE2-NE 3.12Å; E1003-R1121 IonicContact OE2-NH2 2.84Å; E1003-R1121 PolarHBondContact OE2-NH2 2.98Å
1004L69.5Low66.2Low14 Ų1441.7 Ų41.77%0.07323%0.233CC..Hα-helixtrans-64.7-45.8174-160.6104.8000111.4M1000 I1001 R1006 G1007 L1008 Q1040 V1041 L1044 L1052M1000-L1004 PolarHBondContact O-N 3.25Å; I1001-L1004 PolarHBondContact O-N 2.94Å; L1004-R1006 PolarHBondContact O-N 3.31Å; L1004-G1007 PolarHBondContact O-N 2.88Å; L1004-G1007 VanDerWaalsContact O-N 3.09Å; L1004-L1008 HydrophobicContact CD2-CD1 3.64Å; L1004-L1008 HydrophobicContact CD2-CG 4.46Å; L1004-L1008 HydrophobicContact CG-CD1 4.1Å; L1004-L1008 HydrophobicContact CG-CG 4.41Å; L1004-L1008 WeakPolarHBondContact O-CG 3.21Å; L1004-L1008 PolarHBondContact O-N 3.44Å; L1004-Q1040 HydrophobicContact CD2-CB 3.51Å; L1004-V1041 HydrophobicContact CB-CG2 3.93Å; L1004-V1041 HydrophobicContact CD1-CG2 4.38Å; L1004-V1041 HydrophobicContact CD2-CG2 3.76Å; L1004-V1041 HydrophobicContact CG-CG2 4.23Å; L1004-L1044 HydrophobicContact CD1-CD1 3.83Å; L1004-L1044 HydrophobicContact CD1-CD2 4.16Å; L1004-L1044 HydrophobicContact CD1-CG 4.23Å; L1004-L1052 HydrophobicContact CD1-CD2 4.07Å
1005A64.5Low64Low4 Ų446.9 Ų46.93%0.03326%0.257CS..Hα-helixtrans-53.2-43.7175.400000112.1I1001 R1009 I1010 F1014 A1037I1001-A1005 WeakPolarHBondContact O-CB 3.47Å; I1001-A1005 PolarHBondContact O-N 3.21Å; A1005-R1009 PolarHBondContact O-N 2.87Å; A1005-I1010 PolarHBondContact O-N 3.47Å; A1005-I1010 VanDerWaalsContact O-N 3.15Å; A1005-F1014 HydrophobicContact CB-CE2 4.16Å; A1005-A1037 HydrophobicContact CB-CB 3.54Å
1006R67.2Low61.9Low94 Ų9447.6 Ų47.636%0.35526%0.262SS..Hα-helixtrans-68.3-41.8177-169.7-171.16572.14.9112.1S1002 E1003 L1004 L1008 R1009 M1062S1002-R1006 PolarHBondContact O-N 3.36Å; E1003-R1006 PolarHBondContact O-N 2.78Å; E1003-R1006 IonicContact OE1-NE 3.88Å; E1003-R1006 PolarHBondContact OE1-NE 3.17Å; E1003-R1006 IonicContact OE2-CZ 3.94Å; E1003-R1006 IonicContact OE2-NE 2.9Å; E1003-R1006 PolarHBondContact OE2-NE 3.47Å; E1003-R1006 VanDerWaalsContact OE2-NE 3.16Å; E1003-R1006 IonicContact OE2-NH2 3.73Å; E1003-R1006 PolarHBondContact OE2-NH2 2.93Å; L1004-R1006 PolarHBondContact O-N 3.31Å; R1006-L1008 VanDerWaalsContact C-N 3.35Å; R1006-R1009 PolarHBondContact O-N 2.84Å; R1006-M1062 VanDerWaalsContact NH2-CE 3.33Å
1007G64.3Low59.6Low40 Ų4051 Ų5141%0.41228%0.28SS..Hα-helixtrans-65.2-36178.200000113.4E1003 L1004 R1009E1003-G1007 PolarHBondContact O-N 3.39Å; L1004-G1007 PolarHBondContact O-N 2.88Å; L1004-G1007 VanDerWaalsContact O-N 3.09Å; G1007-R1009 PolarHBondContact O-N 3.25Å
1008L61.7Low57.5Low84 Ų8451.9 Ų51.944%0.4428%0.283SS..THydrogen-bonded Turntrans-82.66.5175.7-64.8178.5000113.8L1004 R1006 I1010 Q1040L1004-L1008 HydrophobicContact CD2-CD1 3.64Å; L1004-L1008 HydrophobicContact CD2-CG 4.46Å; L1004-L1008 HydrophobicContact CG-CD1 4.1Å; L1004-L1008 HydrophobicContact CG-CG 4.41Å; L1004-L1008 WeakPolarHBondContact O-CG 3.21Å; L1004-L1008 PolarHBondContact O-N 3.44Å; R1006-L1008 VanDerWaalsContact C-N 3.35Å; L1008-I1010 HydrophobicContact CB-CD1 3.98Å; L1008-I1010 HydrophobicContact CB-CG1 3.81Å; L1008-I1010 HydrophobicContact CD1-CD1 4.14Å; L1008-I1010 PolarHBondContact O-N 3.04Å; L1008-Q1040 HydrophobicContact CD1-CB 3.9Å; L1008-Q1040 HydrophobicContact CD1-CG 3.91Å
1009R62.6Low55.5Low164 Ų16455.6 Ų55.662%0.61930%0.299SS*.THydrogen-bonded Turntrans51.725.5-177.5-61.6-178.6172-165.60.6114.6A1005 R1006 G1007 S1011 E1064A1005-R1009 PolarHBondContact O-N 2.87Å; R1006-R1009 PolarHBondContact O-N 2.84Å; G1007-R1009 PolarHBondContact O-N 3.25Å; R1009-S1011 PolarHBondContact O-N 3.16Å; R1009-S1011 VanDerWaalsContact O-N 3.08Å; R1009-E1064 IonicContact CZ-OE1 3.23Å; R1009-E1064 IonicContact CZ-OE2 2.7Å; R1009-E1064 IonicContact NE-OE1 2.72Å; R1009-E1064 PolarHBondContact NE-OE1 2.68Å; R1009-E1064 IonicContact NH2-OE1 3.72Å; R1009-E1064 PolarHBondContact NH2-OE1 3.44Å; R1009-E1064 IonicContact NH2-OE2 3.91Å; R1009-E1064 PolarHBondContact NH2-OE2 2.75Å
1010I55.3Low53.4Low38 Ų3860.7 Ų60.720%0.19532%0.32CS..  trans-63.5113.3-176.1-60.4173.8000109.1A1005 L1008 G1012 E1036 A1037A1005-I1010 PolarHBondContact O-N 3.47Å; A1005-I1010 VanDerWaalsContact O-N 3.15Å; L1008-I1010 HydrophobicContact CB-CD1 3.98Å; L1008-I1010 HydrophobicContact CB-CG1 3.81Å; L1008-I1010 HydrophobicContact CD1-CD1 4.14Å; L1008-I1010 PolarHBondContact O-N 3.04Å; I1010-G1012 PolarHBondContact O-N 3.49Å; I1010-E1036 HydrophobicContact CD1-CB 4.13Å; I1010-E1036 WeakPolarHBondContact CG2-OE2 3.32Å; I1010-A1037 HydrophobicContact CD1-CB 4.16Å
1011S43.3Very low51.1Low125 Ų12568.4 Ų68.487%0.87436%0.362SS*.  trans-83.745.4-158.953.60000115.1R1009R1009-S1011 PolarHBondContact O-N 3.16Å; R1009-S1011 VanDerWaalsContact O-N 3.08Å
1012G41.4Very low49Very low24 Ų2474.1 Ų74.125%0.24739%0.392CS..  trans-89.8127.7169.700000112.8I1010 F1014I1010-G1012 PolarHBondContact O-N 3.49Å; G1012-F1014 PolarHBondContact O-N 3.28Å
1013T35.8Very low47.2Very low102 Ų10279.8 Ų79.863%0.62642%0.419SS*.  trans-60.3105.1168.633.90000110.2I1015 M1030T1013-I1015 PolarHBondContact O-N 2.94Å; T1013-M1030 WeakPolarHBondContact O-CE 3.44Å
1014F38.1Very low45.1Very low74 Ų7487.7 Ų87.733%0.32546%0.46SS..  trans-72.165.5-169.4-134.4-92.9000114.3A1005 G1012 S1016 L1017A1005-F1014 HydrophobicContact CB-CE2 4.16Å; G1012-F1014 PolarHBondContact O-N 3.28Å; F1014-S1016 PolarHBondContact O-N 3.12Å; F1014-L1017 HydrophobicContact CE1-CD1 4.06Å; F1014-L1017 HydrophobicContact CZ-CD1 4.17Å
1015I34.3Very low43.3Very low120 Ų12089.6 Ų89.662%0.61548%0.478SS*.  trans-8084.8179-57.5175.7000109.6T1013 M1030T1013-I1015 PolarHBondContact O-N 2.94Å; I1015-M1030 HydrophobicContact CB-CE 4.01Å
1016S38.2Very low41.7Very low18 Ų1896.6 Ų96.613%0.12650%0.503CS..  trans55.971.8149.9-154.10000118.2F1014 F1018 K1019F1014-S1016 PolarHBondContact O-N 3.12Å; S1016-F1018 PolarHBondContact O-N 3.31Å; S1016-K1019 PolarHBondContact O-N 2.92Å; S1016-K1019 WeakPolarHBondContact OG-CB 3.24Å; S1016-K1019 WeakPolarHBondContact OG-CD 3.49Å; S1016-K1019 VanDerWaalsContact OG-CG 3.24Å; S1016-K1019 WeakPolarHBondContact OG-CG 3.14Å
1017L39.3Very low39.7Very low70 Ų7096.5 Ų96.537%0.36652%0.517SS..THydrogen-bonded Turntrans-56.9-1.9157.6-81.1169.7000114.6M935 F1014M935-L1017 HydrophobicContact CG-CD2 4.39Å; M935-L1017 HydrophobicContact SD-CD1 3.95Å; M935-L1017 HydrophobicContact SD-CD2 3.86Å; F1014-L1017 HydrophobicContact CE1-CD1 4.06Å; F1014-L1017 HydrophobicContact CZ-CD1 4.17Å
1018F37.8Very low37.8Very low35 Ų35103.5 Ų103.515%0.15454%0.537CS..THydrogen-bonded Turntrans-99.2-8.5178.4-67.6-71.8000114.3L995 S1016 P1186L995-F1018 HydrophobicContact CD2-CE1 4.12Å; S1016-F1018 PolarHBondContact O-N 3.31Å; F1018-P1186 HydrophobicContact CD1-CG 4.45Å; F1018-P1186 VanDerWaalsContact CE1-CD 3.45Å; F1018-P1186 HydrophobicContact CE1-CG 3.68Å; F1018-P1186 HydrophobicContact CE2-CG 4.24Å; F1018-P1186 HydrophobicContact CZ-CG 3.57Å
1019K35.5Very low36Very low96 Ų96106.5 Ų106.542%0.41755%0.551SS.*  trans-113.168.5-172.9-76.3179-179.7174.90114.4S1016 G1254 G1255S1016-K1019 PolarHBondContact O-N 2.92Å; S1016-K1019 WeakPolarHBondContact OG-CB 3.24Å; S1016-K1019 WeakPolarHBondContact OG-CD 3.49Å; S1016-K1019 VanDerWaalsContact OG-CG 3.24Å; S1016-K1019 WeakPolarHBondContact OG-CG 3.14Å; K1019-G1254 PolarHBondContact NZ-O 3.47Å; K1019-G1255 PolarHBondContact NZ-O 2.96Å
1020F36.4Very low34.3Very low121 Ų121102.7 Ų102.753%0.53154%0.541SS..  trans-119.880.7166.3-79.6-76.2000112.2
1021N31Very low33.5Very low163 Ų163103.7 Ų103.787%0.87255%0.549SS*.  trans-117.419.7175.7-106.2-10.2000112.9
1022N28.8Very low33.1Very low128 Ų128102 Ų10268%0.68454%0.537SS*.  trans-133.9119178.1-104.9-41.6000111.4L1024 A1025N1022-L1024 PolarHBondContact O-N 3.38Å; N1022-L1024 VanDerWaalsContact O-N 3.16Å; N1022-A1025 PolarHBondContact O-N 2.61Å
1023I33.1Very low33.1Very low154 Ų154101.6 Ų101.679%0.7953%0.53SS*.G310 helixtrans-63.3-25-169.6-68.8169.9000113.2
1024L28.9Very low33.4Very low174 Ų17497.5 Ų97.591%0.91151%0.508SS*.G310 helixtrans-91.2-3.4-176.6-67.2170.4000114.8N1022N1022-L1024 PolarHBondContact O-N 3.38Å; N1022-L1024 VanDerWaalsContact O-N 3.16Å
1025A31.1Very low34Very low53 Ų5396.2 Ų96.244%0.43850%0.503SS..G310 helixtrans-97.38.1-17700000114.3N1022 S1027N1022-A1025 PolarHBondContact O-N 2.61Å; A1025-S1027 VanDerWaalsContact C-N 3.32Å; A1025-S1027 PolarHBondContact O-N 2.82Å
1026R32.6Very low34.8Very low152 Ų15295.9 Ų95.957%0.57450%0.499SS*.THydrogen-bonded Turntrans-77.32-168.7-88-173.6172.3-168.8-4.5116.8E931E931-R1026 IonicContact OE1-CZ 3.12Å; E931-R1026 IonicContact OE1-NH1 3.88Å; E931-R1026 PolarHBondContact OE1-NH1 3.47Å; E931-R1026 IonicContact OE1-NH2 3.22Å; E931-R1026 PolarHBondContact OE1-NH2 2.72Å; E931-R1026 IonicContact OE2-CZ 2.7Å; E931-R1026 IonicContact OE2-NE 3.56Å; E931-R1026 IonicContact OE2-NH1 2.87Å; E931-R1026 PolarHBondContact OE2-NH1 2.88Å; E931-R1026 IonicContact OE2-NH2 3.69Å; E931-R1026 PolarHBondContact OE2-NH2 2.88Å
1027S25.2Very low35.6Very low92 Ų9295 Ų9564%0.64349%0.493SS*.THydrogen-bonded Turntrans-129.2-1.7-160.1-55.50000116.8A1025A1025-S1027 VanDerWaalsContact C-N 3.32Å; A1025-S1027 PolarHBondContact O-N 2.82Å
1028F23.3Very low36.5Very low187 Ų18791.7 Ų91.782%0.8248%0.476SS*.SBendtrans-155.2153.8179.2-133.7-106.4000111.6
1029I24Very low37.7Very low146 Ų14691.9 Ų91.975%0.74948%0.479SS*.SBendtrans83.3107.1178.5-52.7172.8000115.5
1030M27.3Very low39.1Very low84 Ų8491.6 Ų91.641%0.41448%0.48SS..  trans69.373.7151-158.5-163.580.400118.6T1013 I1015T1013-M1030 WeakPolarHBondContact O-CE 3.44Å; I1015-M1030 HydrophobicContact CB-CE 4.01Å
1031V38.8Very low40.6Very low60 Ų6085.9 Ų85.936%0.36446%0.455SS..  trans-110.8-28.8172.1-153.50000113.7S1033 G1034 E1035V1031-S1033 PolarHBondContact O-N 2.78Å; V1031-S1033 VanDerWaalsContact O-N 3.14Å; V1031-G1034 WeakPolarHBondContact O-CA 3.14Å; V1031-G1034 PolarHBondContact O-N 2.77Å; V1031-E1035 HydrophobicContact CG1-CG 3.87Å; V1031-E1035 VanDerWaalsContact CG1-OE1 3.32Å; V1031-E1035 WeakPolarHBondContact CG1-OE1 3.3Å; V1031-E1035 PolarHBondContact O-N 3.47Å
1032C34.1Very low42.4Very low89 Ų8979.3 Ų79.360%0.60142%0.42SS*.Hα-helixtrans-53.3-42.1-165.4-50.70000115.9G1034 E1035 E1036C1032-G1034 PolarHBondContact O-N 2.9Å; C1032-E1035 VanDerWaalsContact CA-OE2 3.25Å; C1032-E1035 WeakPolarHBondContact CA-OE2 3.1Å; C1032-E1035 PolarHBondContact N-OE2 2.94Å; C1032-E1035 PolarHBondContact O-N 3.03Å; C1032-E1036 PolarHBondContact O-N 2.86Å
1033S41.5Very low44.6Very low16 Ų1675.8 Ų75.811%0.11240%0.402CS..Hα-helixtrans-72.6-14.6179.562.10000114.2V1031V1031-S1033 PolarHBondContact O-N 2.78Å; V1031-S1033 VanDerWaalsContact O-N 3.14Å
1034G42.4Very low46.7Very low16 Ų1669.5 Ų69.517%0.16537%0.369CS..Hα-helixtrans-87.9-40.4172.500000112V1031 C1032 A1037 A1038V1031-G1034 WeakPolarHBondContact O-CA 3.14Å; V1031-G1034 PolarHBondContact O-N 2.77Å; C1032-G1034 PolarHBondContact O-N 2.9Å; G1034-A1037 PolarHBondContact O-N 3.36Å; G1034-A1038 WeakPolarHBondContact O-CB 3.3Å; G1034-A1038 PolarHBondContact O-N 3.01Å
1035E49.9Very low49.2Very low46 Ų4661.9 Ų61.922%0.21533%0.331CS..Hα-helixtrans-60.2-47.6177.7-72.5157.6159.400111.5Q938 V939 V1031 C1032 A1037 A1038 T1039Q938-E1035 HydrophobicContact CB-CG 4.1Å; Q938-E1035 WeakPolarHBondContact CB-OE1 3.41Å; Q938-E1035 PolarHBondContact NE2-OE1 3.16Å; V939-E1035 HydrophobicContact CG2-CB 4.39Å; V939-E1035 WeakPolarHBondContact CG2-O 3.44Å; V1031-E1035 HydrophobicContact CG1-CG 3.87Å; V1031-E1035 VanDerWaalsContact CG1-OE1 3.32Å; V1031-E1035 WeakPolarHBondContact CG1-OE1 3.3Å; V1031-E1035 PolarHBondContact O-N 3.47Å; C1032-E1035 VanDerWaalsContact CA-OE2 3.25Å; C1032-E1035 WeakPolarHBondContact CA-OE2 3.1Å; C1032-E1035 PolarHBondContact N-OE2 2.94Å; C1032-E1035 PolarHBondContact O-N 3.03Å; E1035-A1037 PolarHBondContact O-N 2.86Å; E1035-A1038 PolarHBondContact O-N 3.46Å; E1035-T1039 PolarHBondContact O-N 3.36Å; E1035-T1039 PolarHBondContact O-OG1 3.34Å
1036E52.7Low51.8Low113 Ų11359.3 Ų59.353%0.52831%0.31SS..Hα-helixtrans-59.1-46176.2-70.8178.1170.300112.1I1010 C1032 T1039 Q1040I1010-E1036 HydrophobicContact CD1-CB 4.13Å; I1010-E1036 WeakPolarHBondContact CG2-OE2 3.32Å; C1032-E1036 PolarHBondContact O-N 2.86Å; E1036-T1039 WeakPolarHBondContact O-CB 3.27Å; E1036-T1039 PolarHBondContact O-N 3.14Å; E1036-Q1040 WeakPolarHBondContact O-CG 3.35Å; E1036-Q1040 PolarHBondContact O-N 3.41Å
1037A54.3Low54.1Low0 Ų055.7 Ų55.70%030%0.297CS..Hα-helixtrans-66.1-39.8179.100000112.7I1001 A1005 I1010 G1034 E1035 T1039 Q1040 V1041I1001-A1037 HydrophobicContact CG2-CB 4.08Å; A1005-A1037 HydrophobicContact CB-CB 3.54Å; I1010-A1037 HydrophobicContact CD1-CB 4.16Å; G1034-A1037 PolarHBondContact O-N 3.36Å; E1035-A1037 PolarHBondContact O-N 2.86Å; A1037-T1039 VanDerWaalsContact C-N 3.34Å; A1037-Q1040 PolarHBondContact O-N 3.08Å; A1037-V1041 WeakPolarHBondContact O-CG2 3.29Å; A1037-V1041 PolarHBondContact O-N 3.36Å
1038A58.8Low56.8Low1 Ų155.1 Ų55.11%0.00828%0.284CS..Hα-helixtrans-63.3-4017400000111.7V939 I1001 G1034 E1035 V1041 T1042V939-A1038 HydrophobicContact CG2-CB 4.49Å; I1001-A1038 HydrophobicContact CG2-CB 4.44Å; G1034-A1038 WeakPolarHBondContact O-CB 3.3Å; G1034-A1038 PolarHBondContact O-N 3.01Å; E1035-A1038 PolarHBondContact O-N 3.46Å; A1038-V1041 PolarHBondContact O-N 2.65Å; A1038-T1042 PolarHBondContact O-N 3.07Å; A1038-T1042 VanDerWaalsContact O-N 3.07Å
1039T61.6Low59.7Low38 Ų3846.2 Ų46.223%0.23325%0.245CC..Hα-helixtrans-60.5-46.1173.9-48.50000111.5V939 E1035 E1036 A1037 V1041 T1042 N1043V939-T1039 HydrophobicContact CG1-CG2 3.94Å; V939-T1039 WeakPolarHBondContact CG1-OG1 3.39Å; V939-T1039 WeakPolarHBondContact CG2-OG1 3.43Å; E1035-T1039 PolarHBondContact O-N 3.36Å; E1035-T1039 PolarHBondContact O-OG1 3.34Å; E1036-T1039 WeakPolarHBondContact O-CB 3.27Å; E1036-T1039 PolarHBondContact O-N 3.14Å; A1037-T1039 VanDerWaalsContact C-N 3.34Å; T1039-V1041 VanDerWaalsContact C-N 3.31Å; T1039-V1041 PolarHBondContact O-N 2.53Å; T1039-T1042 PolarHBondContact O-N 3.14Å; T1039-T1042 PolarHBondContact O-OG1 3.48Å; T1039-N1043 PolarHBondContact O-N 3.04Å; T1039-N1043 PolarHBondContact O-ND2 3.49Å
1040Q65.9Low62.7Low90 Ų9040.1 Ų40.142%0.42121%0.213SC..Hα-helixtrans-69.2-30.2178.7-62.9-63.27.100112.4L1004 L1008 E1036 A1037 N1043 L1044L1004-Q1040 HydrophobicContact CD2-CB 3.51Å; L1008-Q1040 HydrophobicContact CD1-CB 3.9Å; L1008-Q1040 HydrophobicContact CD1-CG 3.91Å; E1036-Q1040 WeakPolarHBondContact O-CG 3.35Å; E1036-Q1040 PolarHBondContact O-N 3.41Å; A1037-Q1040 PolarHBondContact O-N 3.08Å; Q1040-N1043 PolarHBondContact O-N 3.22Å; Q1040-N1043 PolarHBondContact OE1-ND2 2.97Å; Q1040-N1043 VanDerWaalsContact OE1-ND2 3.14Å; Q1040-L1044 WeakPolarHBondContact O-CG 2.88Å; Q1040-L1044 PolarHBondContact O-N 3.37Å; Q1040-L1044 VanDerWaalsContact O-N 3.07Å
1041V66.6Low65.4Low2 Ų237.4 Ų37.41%0.01220%0.201CC..Hα-helixtrans-64.6-37.3170.5165.20000112.5F966 I1001 L1004 A1037 A1038 T1039 N1043 L1049F966-V1041 HydrophobicContact CE1-CG1 4.18Å; F966-V1041 HydrophobicContact CE2-CG1 3.43Å; F966-V1041 VanDerWaalsContact CE2-CG1 3.43Å; F966-V1041 HydrophobicContact CZ-CG1 3.17Å; I1001-V1041 HydrophobicContact CB-CG2 4.42Å; I1001-V1041 HydrophobicContact CG1-CB 4.27Å; I1001-V1041 HydrophobicContact CG1-CG1 4.21Å; I1001-V1041 HydrophobicContact CG1-CG2 3.92Å; L1004-V1041 HydrophobicContact CB-CG2 3.93Å; L1004-V1041 HydrophobicContact CD1-CG2 4.38Å; L1004-V1041 HydrophobicContact CD2-CG2 3.76Å; L1004-V1041 HydrophobicContact CG-CG2 4.23Å; A1037-V1041 WeakPolarHBondContact O-CG2 3.29Å; A1037-V1041 PolarHBondContact O-N 3.36Å; A1038-V1041 PolarHBondContact O-N 2.65Å; T1039-V1041 VanDerWaalsContact C-N 3.31Å; T1039-V1041 PolarHBondContact O-N 2.53Å; V1041-N1043 VanDerWaalsContact C-N 3.35Å; V1041-L1049 HydrophobicContact CG1-CD1 4.46Å
1042T70.2Confident67.4Low24 Ų2434.9 Ų34.915%0.14719%0.185CC..Hα-helixtrans-78.4-18.6175.758.10000113.4W868 R871 I936 A1038 T1039W868-T1042 WeakPolarHBondContact CA-O 3.49Å; W868-T1042 PolarHBondContact N-O 2.91Å; R871-T1042 PolarHBondContact NH1-O 2.96Å; I936-T1042 HydrophobicContact CG2-CG2 3.9Å; A1038-T1042 PolarHBondContact O-N 3.07Å; A1038-T1042 VanDerWaalsContact O-N 3.07Å; T1039-T1042 PolarHBondContact O-N 3.14Å; T1039-T1042 PolarHBondContact O-OG1 3.48Å
1043N74.8Confident70Confident54 Ų5430.6 Ų30.629%0.28916%0.157SC..Hα-helixtrans-77.9-28.1169-74.4-24.4000114.4W867 T1039 Q1040 V1041 S1045W867-N1043 VanDerWaalsContact CD1-O 3.32Å; T1039-N1043 PolarHBondContact O-N 3.04Å; T1039-N1043 PolarHBondContact O-ND2 3.49Å; Q1040-N1043 PolarHBondContact O-N 3.22Å; Q1040-N1043 PolarHBondContact OE1-ND2 2.97Å; Q1040-N1043 VanDerWaalsContact OE1-ND2 3.14Å; V1041-N1043 VanDerWaalsContact C-N 3.35Å; N1043-S1045 PolarHBondContact O-N 3.1Å
1044L76.7Confident72.2Confident22 Ų2231.8 Ų31.812%0.11516%0.16CC..SBendtrans-51.6138.8-177.2-76.8-167.9000112.9R871 L1004 Q1040 E1048 L1049 L1052R871-L1044 PolarHBondContact NH1-O 2.63Å; R871-L1044 PolarHBondContact NH2-O 2.89Å; R871-L1044 VanDerWaalsContact NH2-O 3.14Å; L1004-L1044 HydrophobicContact CD1-CD1 3.83Å; L1004-L1044 HydrophobicContact CD1-CD2 4.16Å; L1004-L1044 HydrophobicContact CD1-CG 4.23Å; Q1040-L1044 WeakPolarHBondContact O-CG 2.88Å; Q1040-L1044 PolarHBondContact O-N 3.37Å; Q1040-L1044 VanDerWaalsContact O-N 3.07Å; L1044-E1048 HydrophobicContact CB-CB 4.22Å; L1044-E1048 HydrophobicContact CD1-CB 4.32Å; L1044-E1048 HydrophobicContact CD2-CB 4.01Å; L1044-E1048 HydrophobicContact CG-CB 4.42Å; L1044-L1049 HydrophobicContact CB-CB 4.35Å; L1044-L1049 HydrophobicContact CD1-CB 4.38Å; L1044-L1049 HydrophobicContact CD1-CD1 4.31Å; L1044-L1052 HydrophobicContact CD1-CD2 4.07Å
1045S81.7Confident74Confident14 Ų1431.4 Ų31.410%0.09815%0.154CC..  trans-57.2147.7168.2115.50000110.6D593 N1043 Y1047 E1048 L1049D593-S1045 WeakPolarHBondContact OD2-CB 3.46Å; D593-S1045 PolarHBondContact OD2-OG 3.23Å; N1043-S1045 PolarHBondContact O-N 3.1Å; S1045-Y1047 PolarHBondContact O-N 2.9Å; S1045-Y1047 VanDerWaalsContact O-N 3.12Å; S1045-Y1047 WeakPolarHBondContact OG-CB 3.18Å; S1045-Y1047 PolarHBondContact OG-N 2.85Å; S1045-Y1047 VanDerWaalsContact OG-N 3.1Å; S1045-E1048 WeakPolarHBondContact CB-OE2 3.47Å; S1045-E1048 PolarHBondContact N-OE2 3.16Å; S1045-E1048 PolarHBondContact O-N 3.1Å; S1045-E1048 PolarHBondContact OG-N 2.86Å; S1045-L1049 WeakPolarHBondContact O-CB 3.26Å; S1045-L1049 PolarHBondContact O-N 2.74Å
1046P84.5Confident75.6Confident0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-45-40169.8-34.138.9000113.6L590 D593 I596 W867 Y973 K1050L590-P1046 HydrophobicContact CD2-CB 3.88Å; L590-P1046 HydrophobicContact CD2-CG 4.12Å; D593-P1046 HydrophobicContact CB-CB 3.94Å; D593-P1046 HydrophobicContact CB-CG 3.96Å; D593-P1046 WeakPolarHBondContact OD2-CD 3.36Å; I596-P1046 HydrophobicContact CD1-CB 3.89Å; I596-P1046 WeakPolarHBondContact CD1-O 3.49Å; I596-P1046 HydrophobicContact CG1-CB 3.86Å; W867-P1046 HydrophobicContact CD2-CG 4.48Å; W867-P1046 HydrophobicContact CE3-CG 4.07Å; W867-P1046 HydrophobicContact CZ3-CG 4.12Å; Y973-P1046 WeakPolarHBondContact OH-CB 3.49Å; Y973-P1046 PolarHBondContact OH-O 2.88Å; P1046-K1050 VanDerWaalsContact O-CB 3.29Å; P1046-K1050 WeakPolarHBondContact O-CB 3.48Å; P1046-K1050 PolarHBondContact O-N 3.19Å
1047Y82.8Confident77.1Confident76 Ų7624 Ų2430%0.29812%0.119SC..Hα-helixtrans-69.6-41.8177.5178.5-100.4000113.4D593 N595 I596 S1045 K1050 T1051D593-Y1047 WeakPolarHBondContact OD2-CB 3.32Å; D593-Y1047 PolarHBondContact OD2-N 3.34Å; N595-Y1047 HydrophobicContact CB-CD1 3.8Å; N595-Y1047 HydrophobicContact CB-CD2 3.59Å; N595-Y1047 HydrophobicContact CB-CE1 4.3Å; N595-Y1047 HydrophobicContact CB-CE2 4.13Å; N595-Y1047 HydrophobicContact CB-CG 3.41Å; N595-Y1047 VanDerWaalsContact CB-CG 3.41Å; I596-Y1047 VanDerWaalsContact CG1-CA 3.48Å; I596-Y1047 HydrophobicContact CG1-CD2 4.46Å; I596-Y1047 VanDerWaalsContact CG1-N 3.32Å; S1045-Y1047 PolarHBondContact O-N 2.9Å; S1045-Y1047 VanDerWaalsContact O-N 3.12Å; S1045-Y1047 WeakPolarHBondContact OG-CB 3.18Å; S1045-Y1047 PolarHBondContact OG-N 2.85Å; S1045-Y1047 VanDerWaalsContact OG-N 3.1Å; Y1047-K1050 PolarHBondContact O-N 2.95Å; Y1047-T1051 WeakPolarHBondContact O-CB 3.4Å; Y1047-T1051 PolarHBondContact O-N 3.19Å; Y1047-T1051 PolarHBondContact O-OG1 3.43Å
1048E81.3Confident78.3Confident80 Ų8025.6 Ų25.637%0.37413%0.131SC..Hα-helixtrans-64.3-44.5175.8-63.7174.5133.400110.7L1044 S1045 K1050 T1051 L1052L1044-E1048 HydrophobicContact CB-CB 4.22Å; L1044-E1048 HydrophobicContact CD1-CB 4.32Å; L1044-E1048 HydrophobicContact CD2-CB 4.01Å; L1044-E1048 HydrophobicContact CG-CB 4.42Å; S1045-E1048 WeakPolarHBondContact CB-OE2 3.47Å; S1045-E1048 PolarHBondContact N-OE2 3.16Å; S1045-E1048 PolarHBondContact O-N 3.1Å; S1045-E1048 PolarHBondContact OG-N 2.86Å; E1048-K1050 PolarHBondContact O-N 2.56Å; E1048-T1051 PolarHBondContact O-N 3.12Å; E1048-L1052 PolarHBondContact O-N 3.41Å
1049L84.2Confident78.7Confident0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-61.4-44.5177.4-176.464.1000112.1F966 E969 Y973 M1000 V1041 L1044 S1045 T1051 L1053F966-L1049 HydrophobicContact CD2-CD2 3.97Å; F966-L1049 HydrophobicContact CE2-CD1 3.59Å; F966-L1049 HydrophobicContact CE2-CD2 3.42Å; F966-L1049 VanDerWaalsContact CE2-CD2 3.42Å; F966-L1049 HydrophobicContact CE2-CG 4.18Å; F966-L1049 HydrophobicContact CZ-CD1 3.42Å; F966-L1049 VanDerWaalsContact CZ-CD1 3.42Å; F966-L1049 HydrophobicContact CZ-CD2 3.94Å; F966-L1049 HydrophobicContact CZ-CG 4.31Å; E969-L1049 HydrophobicContact CB-CD2 4.23Å; E969-L1049 WeakPolarHBondContact OE2-CD2 3.44Å; Y973-L1049 HydrophobicContact CE2-CB 4.4Å; Y973-L1049 HydrophobicContact CE2-CD2 4.09Å; Y973-L1049 HydrophobicContact CE2-CG 4.13Å; M1000-L1049 HydrophobicContact CE-CD1 3.3Å; M1000-L1049 HydrophobicContact CE-CG 4.04Å; V1041-L1049 HydrophobicContact CG1-CD1 4.46Å; L1044-L1049 HydrophobicContact CB-CB 4.35Å; L1044-L1049 HydrophobicContact CD1-CB 4.38Å; L1044-L1049 HydrophobicContact CD1-CD1 4.31Å; S1045-L1049 WeakPolarHBondContact O-CB 3.26Å; S1045-L1049 PolarHBondContact O-N 2.74Å; L1049-T1051 VanDerWaalsContact C-N 3.31Å; L1049-T1051 PolarHBondContact O-N 3.37Å; L1049-L1053 PolarHBondContact O-N 3Å; L1049-L1053 VanDerWaalsContact O-N 3.14Å
1050K86.1Confident78.2Confident18 Ų1827.8 Ų27.88%0.07814%0.14CC..Hα-helixtrans-57.8-43170.5175.4-167.4171.8-165.30111.6I596 D599 Y973 F977 P1046 Y1047 E1048 L1053 H1054I596-K1050 HydrophobicContact CD1-CB 4.17Å; I596-K1050 HydrophobicContact CD1-CD 3.99Å; D599-K1050 IonicContact OD2-NZ 2.71Å; D599-K1050 PolarHBondContact OD2-NZ 2.82Å; Y973-K1050 HydrophobicContact CD1-CB 4.03Å; Y973-K1050 HydrophobicContact CD1-CD 4.49Å; Y973-K1050 HydrophobicContact CD1-CG 4.11Å; Y973-K1050 HydrophobicContact CD2-CB 4Å; Y973-K1050 HydrophobicContact CE1-CB 4.15Å; Y973-K1050 HydrophobicContact CE2-CB 4.12Å; Y973-K1050 HydrophobicContact CG-CB 3.99Å; Y973-K1050 HydrophobicContact CG-CG 4.17Å; F977-K1050 HydrophobicContact CE1-CG 4.29Å; F977-K1050 HydrophobicContact CE2-CG 4.39Å; F977-K1050 HydrophobicContact CZ-CD 4.5Å; F977-K1050 HydrophobicContact CZ-CG 3.61Å; F977-K1050 WeakPolarHBondContact CZ-O 3.38Å; P1046-K1050 VanDerWaalsContact O-CB 3.29Å; P1046-K1050 WeakPolarHBondContact O-CB 3.48Å; P1046-K1050 PolarHBondContact O-N 3.19Å; Y1047-K1050 PolarHBondContact O-N 2.95Å; E1048-K1050 PolarHBondContact O-N 2.56Å; K1050-L1053 PolarHBondContact O-N 3.07Å; K1050-H1054 PolarHBondContact O-N 3.09Å
1051T83.9Confident77.2Confident27 Ų2726.5 Ų26.517%0.16613%0.134CC..Hα-helixtrans-71.2-40.5-175.7-57.70000111.8Y1047 E1048 L1049 L1053 H1054 H1055 Y1075Y1047-T1051 WeakPolarHBondContact O-CB 3.4Å; Y1047-T1051 PolarHBondContact O-N 3.19Å; Y1047-T1051 PolarHBondContact O-OG1 3.43Å; E1048-T1051 PolarHBondContact O-N 3.12Å; L1049-T1051 VanDerWaalsContact C-N 3.31Å; L1049-T1051 PolarHBondContact O-N 3.37Å; T1051-L1053 VanDerWaalsContact C-N 3.32Å; T1051-L1053 PolarHBondContact O-N 3.36Å; T1051-H1054 PolarHBondContact O-N 2.77Å; T1051-H1055 PolarHBondContact O-N 2.71Å; T1051-Y1075 HydrophobicContact CG2-CD2 3.99Å; T1051-Y1075 HydrophobicContact CG2-CE1 4.2Å; T1051-Y1075 HydrophobicContact CG2-CE2 3.53Å
1052L82.5Confident76Confident6 Ų628.6 Ų28.63%0.03114%0.144CC..Hα-helixtrans-56.3-45.1170.2176.559.1000111.5M1000 E1003 L1004 L1044 E1048 H1055 I1056M1000-L1052 HydrophobicContact CB-CD2 4.04Å; M1000-L1052 HydrophobicContact CB-CG 4.43Å; M1000-L1052 HydrophobicContact CE-CD2 4.29Å; M1000-L1052 HydrophobicContact CE-CG 4.34Å; M1000-L1052 HydrophobicContact CG-CD2 4.49Å; M1000-L1052 HydrophobicContact CG-CG 4.41Å; E1003-L1052 HydrophobicContact CB-CD1 4.38Å; L1004-L1052 HydrophobicContact CD1-CD2 4.07Å; L1044-L1052 HydrophobicContact CD1-CD2 4.07Å; E1048-L1052 PolarHBondContact O-N 3.41Å; L1052-H1055 WeakPolarHBondContact O-CB 3.33Å; L1052-H1055 PolarHBondContact O-N 3.41Å; L1052-I1056 HydrophobicContact CD1-CD1 3.94Å; L1052-I1056 HydrophobicContact CG-CD1 4.07Å; L1052-I1056 WeakPolarHBondContact O-CD1 3.4Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.43Å; L1052-I1056 PolarHBondContact O-N 2.58Å; L1052-I1056 VanDerWaalsContact O-N 3.1Å
1053L88Confident74.2Confident0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-64.4-40.3176.3-179.560.9000112.6V970 L974 F977 I996 M1000 L1049 K1050 T1051 H1055 I1056 L1057V970-L1053 HydrophobicContact CG1-CD2 4.21Å; L974-L1053 HydrophobicContact CD2-CD1 4.44Å; L974-L1053 HydrophobicContact CD2-CD2 4.3Å; L974-L1053 HydrophobicContact CG-CD2 4.19Å; F977-L1053 HydrophobicContact CD2-CD2 4.41Å; F977-L1053 HydrophobicContact CE2-CB 4.3Å; F977-L1053 HydrophobicContact CE2-CD2 4.03Å; F977-L1053 HydrophobicContact CE2-CG 4.02Å; I996-L1053 HydrophobicContact CG2-CD1 3.56Å; M1000-L1053 HydrophobicContact CE-CB 3.86Å; M1000-L1053 HydrophobicContact SD-CB 4.23Å; M1000-L1053 HydrophobicContact SD-CD1 3.95Å; L1049-L1053 PolarHBondContact O-N 3Å; L1049-L1053 VanDerWaalsContact O-N 3.14Å; K1050-L1053 PolarHBondContact O-N 3.07Å; T1051-L1053 VanDerWaalsContact C-N 3.32Å; T1051-L1053 PolarHBondContact O-N 3.36Å; L1053-H1055 VanDerWaalsContact C-N 3.33Å; L1053-H1055 PolarHBondContact O-N 3.17Å; L1053-I1056 PolarHBondContact O-N 2.97Å; L1053-L1057 HydrophobicContact CD1-CD1 3.95Å; L1053-L1057 HydrophobicContact CD1-CG 4.06Å; L1053-L1057 HydrophobicContact CG-CD1 3.86Å; L1053-L1057 HydrophobicContact CG-CG 4.4Å; L1053-L1057 WeakPolarHBondContact O-CB 3.28Å; L1053-L1057 VanDerWaalsContact O-CG 3.29Å; L1053-L1057 WeakPolarHBondContact O-CG 3.48Å; L1053-L1057 PolarHBondContact O-N 3.15Å
1054H87.5Confident72.2Confident41 Ų4132.9 Ų32.919%0.1917%0.168CC..Hα-helixtrans-62-40.5173.8-167.4-94.5000112.2F977 E981 K1050 T1051 I1056 L1057 S1058F977-H1054 AromaticContact CD1-CD2 3.83Å; F977-H1054 HydrophobicContact CE1-CB 4.14Å; F977-H1054 AromaticContact CE1-CD2 3.51Å; F977-H1054 HydrophobicContact CE2-CB 4.31Å; F977-H1054 HydrophobicContact CZ-CB 3.73Å; F977-H1054 AromaticContact CZ-CD2 3.97Å; E981-H1054 IonicContact OE1-CD2 2.78Å; E981-H1054 IonicContact OE1-CE1 3.69Å; E981-H1054 IonicContact OE1-NE2 3.87Å; E981-H1054 PolarHBondContact OE1-NE2 2.87Å; E981-H1054 IonicContact OE2-CE1 3.44Å; E981-H1054 IonicContact OE2-NE2 3.67Å; E981-H1054 PolarHBondContact OE2-NE2 3.09Å; K1050-H1054 PolarHBondContact O-N 3.09Å; T1051-H1054 PolarHBondContact O-N 2.77Å; H1054-I1056 PolarHBondContact O-N 3.12Å; H1054-L1057 PolarHBondContact O-N 2.92Å; H1054-S1058 VanDerWaalsContact O-CB 3.23Å; H1054-S1058 WeakPolarHBondContact O-CB 3.46Å; H1054-S1058 PolarHBondContact O-N 3.11Å; H1054-S1058 PolarHBondContact O-OG 2.86Å
1055H79.6Confident69.9Low7 Ų734.8 Ų34.83%0.03219%0.187CC..Hα-helixtrans-59.6-47177.2-172.792.5000111.7T1051 L1052 L1053 S1058 G1059 K1060 E1061 M1062 Y1075T1051-H1055 PolarHBondContact O-N 2.71Å; L1052-H1055 WeakPolarHBondContact O-CB 3.33Å; L1052-H1055 PolarHBondContact O-N 3.41Å; L1053-H1055 VanDerWaalsContact C-N 3.33Å; L1053-H1055 PolarHBondContact O-N 3.17Å; H1055-S1058 PolarHBondContact O-OG 2.94Å; H1055-G1059 PolarHBondContact O-N 3.13Å; H1055-K1060 PolarHBondContact NE2-O 3.45Å; H1055-K1060 PolarHBondContact O-N 2.67Å; H1055-E1061 PolarHBondContact CE1-O 2.88Å; H1055-M1062 PolarHBondContact CE1-N 3.07Å; H1055-M1062 VanDerWaalsContact NE2-CG 3.3Å; H1055-M1062 WeakPolarHBondContact NE2-CG 3.34Å; H1055-M1062 PolarHBondContact NE2-N 2.99Å; H1055-Y1075 AromaticContact ND1-CD1 3.85Å
1056I83.2Confident67.3Low2 Ų241.5 Ų41.51%0.0122%0.221CC..Hα-helixtrans-65.4-47.5178.8-70.7158.3000111.3V999 M1000 E1003 L1052 L1053 H1054 G1059 I1125 L1129V999-I1056 HydrophobicContact CG1-CD1 4.12Å; V999-I1056 HydrophobicContact CG1-CG1 4.24Å; V999-I1056 HydrophobicContact CG1-CG2 3.81Å; M1000-I1056 HydrophobicContact CB-CD1 4.13Å; M1000-I1056 HydrophobicContact CG-CD1 3.46Å; M1000-I1056 VanDerWaalsContact CG-CD1 3.46Å; E1003-I1056 HydrophobicContact CB-CD1 4.48Å; E1003-I1056 HydrophobicContact CG-CG1 4.4Å; L1052-I1056 HydrophobicContact CD1-CD1 3.94Å; L1052-I1056 HydrophobicContact CG-CD1 4.07Å; L1052-I1056 WeakPolarHBondContact O-CD1 3.4Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.43Å; L1052-I1056 PolarHBondContact O-N 2.58Å; L1052-I1056 VanDerWaalsContact O-N 3.1Å; L1053-I1056 PolarHBondContact O-N 2.97Å; H1054-I1056 PolarHBondContact O-N 3.12Å; I1056-G1059 PolarHBondContact O-N 3.42Å; I1056-I1125 HydrophobicContact CG2-CG2 4.25Å; I1056-L1129 HydrophobicContact CG2-CD1 4.39Å; I1056-L1129 HydrophobicContact CG2-CD2 4.5Å
1057L84.8Confident64.6Low1 Ų150.9 Ų50.91%0.00527%0.265CS..Hα-helixtrans-66-40.1179.4-69.8171.1000112.8L974 F977 F985 M988 L1053 H1054 G1059 L1129 R1131L974-L1057 HydrophobicContact CD2-CD1 3.83Å; L974-L1057 HydrophobicContact CD2-CD2 4.37Å; F977-L1057 HydrophobicContact CD2-CD1 3.86Å; F977-L1057 HydrophobicContact CE2-CD1 4.4Å; F985-L1057 HydrophobicContact CZ-CD1 4.36Å; M988-L1057 HydrophobicContact CE-CD2 4.03Å; L1053-L1057 HydrophobicContact CD1-CD1 3.95Å; L1053-L1057 HydrophobicContact CD1-CG 4.06Å; L1053-L1057 HydrophobicContact CG-CD1 3.86Å; L1053-L1057 HydrophobicContact CG-CG 4.4Å; L1053-L1057 WeakPolarHBondContact O-CB 3.28Å; L1053-L1057 VanDerWaalsContact O-CG 3.29Å; L1053-L1057 WeakPolarHBondContact O-CG 3.48Å; L1053-L1057 PolarHBondContact O-N 3.15Å; H1054-L1057 PolarHBondContact O-N 2.92Å; L1057-G1059 PolarHBondContact O-N 3.39Å; L1057-L1129 HydrophobicContact CD2-CD2 3.89Å; L1057-R1131 PolarHBondContact O-NH2 2.93Å
1058S80.2Confident62.1Low34 Ų3455.9 Ų55.924%0.23829%0.291CS..Hα-helixtrans-75.4-13.2176.364.10000113.3H1054 H1055 K1060H1054-S1058 VanDerWaalsContact O-CB 3.23Å; H1054-S1058 WeakPolarHBondContact O-CB 3.46Å; H1054-S1058 PolarHBondContact O-N 3.11Å; H1054-S1058 PolarHBondContact O-OG 2.86Å; H1055-S1058 PolarHBondContact O-OG 2.94Å; S1058-K1060 VanDerWaalsContact C-N 3.32Å; S1058-K1060 PolarHBondContact O-N 3.1Å
1059G65.8Low59.4Low12 Ų1259.2 Ų59.212%0.12431%0.312CS..THydrogen-bonded Turntrans66.731.5174.700000113.7H1055 I1056 L1057 R1122H1055-G1059 PolarHBondContact O-N 3.13Å; I1056-G1059 PolarHBondContact O-N 3.42Å; L1057-G1059 PolarHBondContact O-N 3.39Å; G1059-R1122 PolarHBondContact O-NH1 2.96Å
1060K52.9Low56.8Low74 Ų7465.6 Ų65.632%0.32235%0.351SS..  trans-74.9176.5170.9-67.8175-176.2171.30110.5H1055 S1058H1055-K1060 PolarHBondContact NE2-O 3.45Å; H1055-K1060 PolarHBondContact O-N 2.67Å; S1058-K1060 VanDerWaalsContact C-N 3.32Å; S1058-K1060 PolarHBondContact O-N 3.1Å
1061E44Very low54.1Low62 Ų6273.7 Ų73.729%0.2939%0.389SS..  trans-122.4138.1177.1-79.9149.5-12500109.2H1055 K1083 Q1118 R1121H1055-E1061 PolarHBondContact CE1-O 2.88Å; E1061-K1083 IonicContact OE1-NZ 2.93Å; E1061-K1083 PolarHBondContact OE1-NZ 3.47Å; E1061-Q1118 PolarHBondContact OE2-NE2 2.72Å; E1061-R1121 VanDerWaalsContact CG-NH1 3.32Å
1062M40.5Very low51.8Low46 Ų4679 Ų7923%0.22742%0.415CS..  trans-80.6127.1178.7-58.8-162.7-68.800109.3E1003 R1006 H1055E1003-M1062 VanDerWaalsContact O-CE 3.27Å; E1003-M1062 WeakPolarHBondContact O-CE 3.4Å; R1006-M1062 VanDerWaalsContact NH2-CE 3.33Å; H1055-M1062 PolarHBondContact CE1-N 3.07Å; H1055-M1062 VanDerWaalsContact NE2-CG 3.3Å; H1055-M1062 WeakPolarHBondContact NE2-CG 3.34Å; H1055-M1062 PolarHBondContact NE2-N 2.99Å
1063S33.7Very low49.7Very low58 Ų5883.3 Ų83.341%0.40644%0.438SS..  trans-116.7140.1173.754.90000108.8T1076S1063-T1076 PolarHBondContact OG-OG1 3.47Å
1064E32Very low47Very low111 Ų11187.1 Ų87.152%0.51946%0.461SS..PPolyproline II helixtrans-69.7159.4179.6-66.7172.5163.300111.8R1009R1009-E1064 IonicContact CZ-OE1 3.23Å; R1009-E1064 IonicContact CZ-OE2 2.7Å; R1009-E1064 IonicContact NE-OE1 2.72Å; R1009-E1064 PolarHBondContact NE-OE1 2.68Å; R1009-E1064 IonicContact NH2-OE1 3.72Å; R1009-E1064 PolarHBondContact NH2-OE1 3.44Å; R1009-E1064 IonicContact NH2-OE2 3.91Å; R1009-E1064 PolarHBondContact NH2-OE2 2.75Å
1065A28.9Very low44.6Very low62 Ų6289.3 Ų89.351%0.51247%0.468SS..PPolyproline II helixtrans-100.6147.2167.500000108.9
1066N25.9Very low42.4Very low155 Ų15592.7 Ų92.783%0.82949%0.49SS*.PPolyproline II helixtrans-61.1150.4-177.3-64.113.1000111.9E1068N1066-E1068 PolarHBondContact O-N 2.7Å
1067E27.8Very low39.7Very low197 Ų19796.4 Ų96.492%0.92152%0.52SS*.THydrogen-bonded Turntrans-69.217.6-155.3-57.4179.7121.100117.7
1068E30.4Very low37.1Very low181 Ų181105.6 Ų105.685%0.84656%0.56SS**THydrogen-bonded Turntrans-104.83.8-173-70-165.4143.800116N1066N1066-E1068 PolarHBondContact O-N 2.7Å
1069N26.2Very low35Very low150 Ų150107.8 Ų107.880%0.80258%0.576SS**  trans-146.4111.5164.9-88-82.6000112.1
1070T29.2Very low33.3Very low134 Ų134115.1 Ų115.182%0.82260%0.604SS**THydrogen-bonded Turntrans-65.2159.7168.6-35.10000110.9
1071E28.5Very low32.3Very low187 Ų187115.9 Ų115.987%0.87462%0.624SS**THydrogen-bonded Turntrans76.914.4171-49.7-167.5156.400119.6
1072L35.7Very low31.7Very low138 Ų138120.4 Ų120.472%0.72365%0.645SS**  trans-141.5105170.8-151.373.5000117.2T1074L1072-T1074 PolarHBondContact O-N 3.32Å; L1072-T1074 PolarHBondContact O-OG1 2.96Å
1073I38.2Very low31.5Very low98 Ų98124 Ų12450%0.50366%0.66SS.*  trans-65.8118172.8-56.4174.6000110Y1075I1073-Y1075 HydrophobicContact CB-CE2 4.43Å; I1073-Y1075 HydrophobicContact CG2-CD1 4.5Å; I1073-Y1075 HydrophobicContact CG2-CE1 3.83Å; I1073-Y1075 HydrophobicContact CG2-CE2 4.03Å; I1073-Y1075 WeakPolarHBondContact O-CE2 3.46Å
1074T31.7Very low31.9Very low80 Ų80123.6 Ų123.649%0.49166%0.655SS.*  trans-111.3126-176-59.90000111.8L1072L1072-T1074 PolarHBondContact O-N 3.32Å; L1072-T1074 PolarHBondContact O-OG1 2.96Å
1075Y37.6Very low32.1Very low86 Ų86119.2 Ų119.234%0.33764%0.639SS.*  trans-101.6111.3-169.5-56.2-87.7000112.8T1051 H1055 I1073T1051-Y1075 HydrophobicContact CG2-CD2 3.99Å; T1051-Y1075 HydrophobicContact CG2-CE1 4.2Å; T1051-Y1075 HydrophobicContact CG2-CE2 3.53Å; H1055-Y1075 AromaticContact ND1-CD1 3.85Å; I1073-Y1075 HydrophobicContact CB-CE2 4.43Å; I1073-Y1075 HydrophobicContact CG2-CD1 4.5Å; I1073-Y1075 HydrophobicContact CG2-CE1 3.83Å; I1073-Y1075 HydrophobicContact CG2-CE2 4.03Å; I1073-Y1075 WeakPolarHBondContact O-CE2 3.46Å
1076T32.5Very low32.7Very low79 Ų79117.4 Ų117.449%0.48562%0.621SS.*  trans-77.6152175.861.30000112.2S1063S1063-T1076 PolarHBondContact OG-OG1 3.47Å
1077A27.1Very low33.4Very low79 Ų79115.2 Ų115.265%0.65361%0.608SS**  trans-126.595.1-176.600000111.4
1078K31Very low34Very low195 Ų195114.7 Ų114.785%0.84860%0.598SS**  trans-125.1137.5171.7-77.7-171.7174.4178.10112.7
1079S35.1Very low34.5Very low80 Ų80106.7 Ų106.756%0.55956%0.561SS**  trans42.1124.4163.2-162.60000119.6E1082S1079-E1082 PolarHBondContact OG-OE2 2.87Å
1080K31.7Very low35.3Very low166 Ų166102.7 Ų102.772%0.72254%0.537SS*.SBendtrans-110.114173.9-151.5-179.7-164.2166.10112.5H983H983-K1080 PolarHBondContact CD2-NZ 3.43Å; H983-K1080 PolarHBondContact NE2-NZ 3.05Å
1081A30.7Very low36Very low89 Ų89102.9 Ų102.974%0.73653%0.526SS*.SBendtrans-110.9-12.5-156.600000116.2
1082E31.1Very low36.6Very low157 Ų15798.8 Ų98.873%0.73451%0.507SS*.  trans-116.3-10.5-160.8-68.3166.5111.500115.5S1079 T1084S1079-E1082 PolarHBondContact OG-OE2 2.87Å; E1082-T1084 PolarHBondContact O-N 3.38Å
1083K37.6Very low36.9Very low123 Ų12395.4 Ų95.454%0.53549%0.49SS..  trans-98.562.8-165.8-64.6-166178.3-167.90115.2E1061E1061-K1083 IonicContact OE1-NZ 2.93Å; E1061-K1083 PolarHBondContact OE1-NZ 3.47Å
1084T40.7Very low37Very low49 Ų4999.9 Ų99.930%0.30151%0.506SS..  trans-143.4117.2139.351.90000110.5E1082 I1086 L1087E1082-T1084 PolarHBondContact O-N 3.38Å; T1084-I1086 PolarHBondContact O-N 3.14Å; T1084-L1087 PolarHBondContact O-N 2.98Å
1085G37.2Very low37.3Very low18 Ų18102.3 Ų102.319%0.18651%0.511CS..Hα-helixtrans-61-27.4177.300000113.2L1087 R1088 L1089G1085-L1087 VanDerWaalsContact C-N 3.32Å; G1085-L1087 PolarHBondContact O-N 3.38Å; G1085-R1088 WeakPolarHBondContact O-CB 3.32Å; G1085-R1088 PolarHBondContact O-N 2.82Å; G1085-L1089 PolarHBondContact O-N 2.78Å
1086I40.6Very low37.2Very low25 Ų25105.7 Ų105.713%0.12852%0.523CS..Hα-helixtrans-60-36.4178-61.6172.8000112.2T1084 L1089 Q1090 P1133 M1197 L1201 I1275T1084-I1086 PolarHBondContact O-N 3.14Å; I1086-L1089 WeakPolarHBondContact O-CB 3.32Å; I1086-L1089 PolarHBondContact O-N 3.47Å; I1086-Q1090 PolarHBondContact O-N 3.05Å; I1086-P1133 HydrophobicContact CD1-CB 4.49Å; I1086-P1133 HydrophobicContact CD1-CG 4.25Å; I1086-M1197 HydrophobicContact CD1-CB 4.03Å; I1086-M1197 HydrophobicContact CD1-CE 3.84Å; I1086-M1197 HydrophobicContact CD1-CG 4.13Å; I1086-M1197 HydrophobicContact CG2-CE 4.2Å; I1086-L1201 HydrophobicContact CG2-CD1 4.46Å; I1086-I1275 HydrophobicContact CG1-CD1 4Å
1087L40.3Very low37Very low108 Ų108111 Ų11157%0.56554%0.54SS*.Hα-helixtrans-70.7-32.4175.3-93.6170.7000112.4T1084 G1085 K1091T1084-L1087 PolarHBondContact O-N 2.98Å; G1085-L1087 VanDerWaalsContact C-N 3.32Å; G1085-L1087 PolarHBondContact O-N 3.38Å; L1087-K1091 WeakPolarHBondContact O-CB 3.49Å; L1087-K1091 PolarHBondContact O-N 3.19Å; L1087-K1091 VanDerWaalsContact O-N 3.08Å
1088R42Very low37Very low186 Ų186115 Ų11570%0.70255%0.547SS*.Hα-helixtrans-67.7-46173.6-150.2174.1-170167.72109.9G1085 K1091 Q1092G1085-R1088 WeakPolarHBondContact O-CB 3.32Å; G1085-R1088 PolarHBondContact O-N 2.82Å; R1088-K1091 PolarHBondContact O-N 3.4Å; R1088-K1091 VanDerWaalsContact O-N 3.15Å; R1088-Q1092 VanDerWaalsContact C-OE1 3.26Å; R1088-Q1092 WeakPolarHBondContact O-CG 3.41Å; R1088-Q1092 PolarHBondContact O-N 3.2Å; R1088-Q1092 PolarHBondContact O-OE1 2.74Å; R1088-Q1092 VanDerWaalsContact O-OE1 3.13Å
1089L39.5Very low36.9Very low13 Ų13115 Ų1157%0.06855%0.547CS..Hα-helixtrans-54.9-51.9171.1-99.7160.9000112.5G1085 I1086 K1091 Q1092 L1093 I1275 V1297G1085-L1089 PolarHBondContact O-N 2.78Å; I1086-L1089 WeakPolarHBondContact O-CB 3.32Å; I1086-L1089 PolarHBondContact O-N 3.47Å; L1089-K1091 PolarHBondContact O-N 2.81Å; L1089-Q1092 PolarHBondContact O-N 3.19Å; L1089-L1093 WeakPolarHBondContact O-CB 3.32Å; L1089-L1093 VanDerWaalsContact O-CG 3.31Å; L1089-L1093 WeakPolarHBondContact O-CG 3.43Å; L1089-L1093 PolarHBondContact O-N 3.29Å; L1089-I1275 HydrophobicContact CD1-CD1 4.13Å; L1089-I1275 HydrophobicContact CD1-CG2 3.83Å; L1089-V1297 HydrophobicContact CD2-CG1 4.28Å
1090Q44Very low36.5Very low66 Ų66115.3 Ų115.331%0.30856%0.555SS.*Hα-helixtrans-58.4-35.8176.3-81.1-165.3-35.100113I1086 K1094I1086-Q1090 PolarHBondContact O-N 3.05Å; Q1090-K1094 WeakPolarHBondContact O-CB 3.45Å; Q1090-K1094 PolarHBondContact O-N 3.03Å; Q1090-K1094 VanDerWaalsContact O-N 3.13Å
1091K43.5Very low36.2Very low138 Ų138114.6 Ų114.660%0.656%0.559SS**Hα-helixtrans-72.9-40.3177.7-156.9177.9-178-1780111.5L1087 R1088 L1089 K1094 Q1095L1087-K1091 WeakPolarHBondContact O-CB 3.49Å; L1087-K1091 PolarHBondContact O-N 3.19Å; L1087-K1091 VanDerWaalsContact O-N 3.08Å; R1088-K1091 PolarHBondContact O-N 3.4Å; R1088-K1091 VanDerWaalsContact O-N 3.15Å; L1089-K1091 PolarHBondContact O-N 2.81Å; K1091-K1094 PolarHBondContact O-N 3.32Å; K1091-Q1095 WeakPolarHBondContact O-CB 3.41Å; K1091-Q1095 VanDerWaalsContact O-CG 3.31Å; K1091-Q1095 WeakPolarHBondContact O-CG 3.47Å; K1091-Q1095 PolarHBondContact O-N 2.9Å
1092Q41.4Very low36Very low101 Ų101117.9 Ų117.947%0.47256%0.564SS.*Hα-helixtrans-65.6-44.2174.7-70.9165.7-69.600111.8R1088 L1089 K1094 Q1095 R1096R1088-Q1092 VanDerWaalsContact C-OE1 3.26Å; R1088-Q1092 WeakPolarHBondContact O-CG 3.41Å; R1088-Q1092 PolarHBondContact O-N 3.2Å; R1088-Q1092 PolarHBondContact O-OE1 2.74Å; R1088-Q1092 VanDerWaalsContact O-OE1 3.13Å; L1089-Q1092 PolarHBondContact O-N 3.19Å; Q1092-K1094 VanDerWaalsContact C-N 3.26Å; Q1092-K1094 PolarHBondContact O-N 3.22Å; Q1092-Q1095 PolarHBondContact O-N 3.05Å; Q1092-R1096 PolarHBondContact O-N 3.16Å
1093L41.2Very low35.8Very low68 Ų68116.2 Ų116.236%0.35657%0.565SS.*Hα-helixtrans-56.5-36.9172-77.6163.8000112.4L1089 S1296L1089-L1093 WeakPolarHBondContact O-CB 3.32Å; L1089-L1093 VanDerWaalsContact O-CG 3.31Å; L1089-L1093 WeakPolarHBondContact O-CG 3.43Å; L1089-L1093 PolarHBondContact O-N 3.29Å; L1093-S1296 WeakPolarHBondContact CD2-O 3.48Å
1094K40.8Very low35.1Very low192 Ų192119.1 Ų119.184%0.83558%0.581SS**Hα-helixtrans-82.8-12.9175.2-77.1-172.9174-1770115Q1090 K1091 Q1092Q1090-K1094 WeakPolarHBondContact O-CB 3.45Å; Q1090-K1094 PolarHBondContact O-N 3.03Å; Q1090-K1094 VanDerWaalsContact O-N 3.13Å; K1091-K1094 PolarHBondContact O-N 3.32Å; Q1092-K1094 VanDerWaalsContact C-N 3.26Å; Q1092-K1094 PolarHBondContact O-N 3.22Å
1095Q37.6Very low34.3Very low130 Ų130127 Ų12761%0.60761%0.611SS**Hα-helixtrans-113.6-6.3-174.8-69.7-166-87.800114.9K1091 Q1092 K1097K1091-Q1095 WeakPolarHBondContact O-CB 3.41Å; K1091-Q1095 VanDerWaalsContact O-CG 3.31Å; K1091-Q1095 WeakPolarHBondContact O-CG 3.47Å; K1091-Q1095 PolarHBondContact O-N 2.9Å; Q1092-Q1095 PolarHBondContact O-N 3.05Å; Q1095-K1097 PolarHBondContact O-N 3.33Å
1096R35.6Very low33.7Very low157 Ų157134.8 Ų134.859%0.59264%0.642SS**  trans-73.869.9175.5-88.5-172.4165.5168.9-0.1113.9Q1092 C1295Q1092-R1096 PolarHBondContact O-N 3.16Å; R1096-C1295 PolarHBondContact NH1-O 3.07Å
1097K29.3Very low32.9Very low191 Ų191141.6 Ų141.683%0.8368%0.679SS**SBendtrans-121.7136.3138.8-89.4-172.6174.2-179.10107.6Q1095Q1095-K1097 PolarHBondContact O-N 3.33Å
1098M27Very low32.2Very low162 Ų162142.8 Ų142.880%0.79868%0.683SS**SBendtrans73125.1-178.8-72.4158.258.800117
1099F27.8Very low31.4Very low195 Ų195139.6 Ų139.686%0.85568%0.681SS**  trans60.5131.2163.4-57.5-65.2000120.9
1100A26.4Very low30.8Very low88 Ų88144.6 Ų144.673%0.72771%0.713SS**  trans-138.2117.2157.100000106.2
1101D26.9Very low30.2Very low150 Ų150148.8 Ų148.880%0.80273%0.733SS**  trans-157.5176.4143.2-135.8-26.7000108.1
1102D26.6Very low29.7Very low159 Ų159147.2 Ų147.285%0.8573%0.728SS**  trans117.296.6174.4-68.4-14.2000113.1
1103T25Very low29.5Very low122 Ų122147.4 Ų147.475%0.74874%0.741SS**  trans-93.4124.6163.549.80000110.3
1104E23.4Very low29.5Very low184 Ų184149 Ų14986%0.8675%0.748SS**  trans-179.1142.1142.2-103.4157-152.300109.9
1105F25.3Very low29.9Very low213 Ų213144.6 Ų144.693%0.93473%0.734SS**  trans-155.9118.3167.6-120.7-81.8000108.7
1106E24.1Very low30.5Very low182 Ų182146 Ų14685%0.8573%0.734SS**  trans-84.9171.4-174.5-66.5-176.6123.400113.7
1107D23.6Very low32Very low169 Ų169140.4 Ų140.490%0.90472%0.716SS**  trans-46.4149.7-170.1-65.1-47000117.8
1108M24.9Very low34.4Very low132 Ų132134.4 Ų134.465%0.6569%0.69SS**  trans-106.8127.9173.6-101.9-117.962.500112.4Q1112M1108-Q1112 HydrophobicContact CE-CG 4.17Å; M1108-Q1112 HydrophobicContact SD-CG 4.27Å; M1108-Q1112 PolarHBondContact SD-NE2 3.01Å; M1108-Q1112 VanDerWaalsContact SD-NE2 3.36Å
1109N26.3Very low37.2Very low120 Ų120130.6 Ų130.664%0.64267%0.667SS**  trans-74.4152.5177.7-146.630.5000111.8E1111N1109-E1111 VanDerWaalsContact C-N 3.28Å; N1109-E1111 PolarHBondContact O-N 3.46Å
1110P27.2Very low39.9Very low117 Ų117121.5 Ų121.576%0.7663%0.627SS**SBendtrans-83.448.8-165.634.7-36000115.4Q1112P1110-Q1112 VanDerWaalsContact C-N 3.3Å
1111E29.8Very low42.6Very low154 Ų154118.7 Ų118.772%0.7260%0.598SS**  trans-88.96167.4-65.2-175.6157.100112.8N1109 S1113N1109-E1111 VanDerWaalsContact C-N 3.28Å; N1109-E1111 PolarHBondContact O-N 3.46Å; E1111-S1113 PolarHBondContact O-N 3.32Å
1112Q33.8Very low45.4Very low106 Ų106113.4 Ų113.450%0.49557%0.567SS.*THydrogen-bonded Turntrans-68.2-10.4-163.1-66.9-177.3-29.200116M1108 P1110 I1114 N1115M1108-Q1112 HydrophobicContact CE-CG 4.17Å; M1108-Q1112 HydrophobicContact SD-CG 4.27Å; M1108-Q1112 PolarHBondContact SD-NE2 3.01Å; M1108-Q1112 VanDerWaalsContact SD-NE2 3.36Å; P1110-Q1112 VanDerWaalsContact C-N 3.3Å; Q1112-I1114 VanDerWaalsContact C-N 3.28Å; Q1112-I1114 PolarHBondContact O-N 3.43Å; Q1112-N1115 PolarHBondContact O-N 3.09Å
1113S37.5Very low48.4Very low105 Ų105106.2 Ų106.273%0.73453%0.528SS*.THydrogen-bonded Turntrans-65.7-24-175.954.40000114.6E1111E1111-S1113 PolarHBondContact O-N 3.32Å
1114I41.1Very low51.3Low101 Ų101103 Ų10352%0.51850%0.502SS..THydrogen-bonded Turntrans-90.4-22.8-179.2-63.8177.7000112.5Q1112Q1112-I1114 VanDerWaalsContact C-N 3.28Å; Q1112-I1114 PolarHBondContact O-N 3.43Å
1115N48.1Very low54.3Low100 Ų10094.5 Ų94.554%0.53546%0.462SS..THydrogen-bonded Turntrans-88.6-11.7-177.3-75.5-31.7000114.4Q1112 L1117 Q1118Q1112-N1115 PolarHBondContact O-N 3.09Å; N1115-L1117 PolarHBondContact O-N 2.74Å; N1115-Q1118 WeakPolarHBondContact O-CB 3.34Å; N1115-Q1118 PolarHBondContact O-N 3.39Å
1116W51.6Low57.3Low158 Ų15885.5 Ų85.560%0.59842%0.424SS*.THydrogen-bonded Turntrans-60.2121.6176-164.6-90.8000110H1262W1116-H1262 AromaticContact CZ2-CE1 3.92Å
1117L67.2Low60.4Low41 Ų4176.8 Ų76.822%0.21538%0.383CS..THydrogen-bonded Turntrans82.719.6-175.3-47.2171.9000117.3N1115 W1119 L1120 R1121 K1261 D1265N1115-L1117 PolarHBondContact O-N 2.74Å; L1117-W1119 PolarHBondContact O-N 3.46Å; L1117-L1120 HydrophobicContact CB-CB 4.35Å; L1117-L1120 HydrophobicContact CB-CD2 4.41Å; L1117-L1120 HydrophobicContact CD1-CD2 4.37Å; L1117-L1120 HydrophobicContact CD2-CB 4.45Å; L1117-L1120 HydrophobicContact CD2-CD2 3.93Å; L1117-L1120 HydrophobicContact CG-CD2 4.45Å; L1117-R1121 WeakPolarHBondContact O-CB 3.24Å; L1117-R1121 PolarHBondContact O-N 3.1Å; L1117-K1261 VanDerWaalsContact CD1-NZ 3.35Å; L1117-K1261 HydrophobicContact CD2-CD 4.25Å; L1117-K1261 HydrophobicContact CD2-CG 4.13Å; L1117-D1265 WeakPolarHBondContact CA-OD1 3.32Å; L1117-D1265 WeakPolarHBondContact CA-OD2 3.42Å; L1117-D1265 HydrophobicContact CD2-CB 4.21Å; L1117-D1265 PolarHBondContact N-OD2 3.34Å
1118Q78.8Confident63.4Low64 Ų6468.8 Ų68.830%0.29934%0.341SS..Hα-helixtrans-58.7-42.6178.2-167.5-171.629.600113.8E1061 N1115 R1122 D1265E1061-Q1118 PolarHBondContact OE2-NE2 2.72Å; N1115-Q1118 WeakPolarHBondContact O-CB 3.34Å; N1115-Q1118 PolarHBondContact O-N 3.39Å; Q1118-R1122 WeakPolarHBondContact O-CB 3.38Å; Q1118-R1122 PolarHBondContact O-N 3.12Å; Q1118-D1265 PolarHBondContact N-OD1 3.02Å
1119W86Confident66.5Low82 Ų8262.7 Ų62.731%0.31131%0.311SS..Hα-helixtrans-83.2-33.7-178.4-63.9103000112.3L1117 R1121 R1122 R1123 Y1264 D1265 P1267 P1268L1117-W1119 PolarHBondContact O-N 3.46Å; W1119-R1121 VanDerWaalsContact C-N 3.33Å; W1119-R1122 WeakPolarHBondContact O-CB 3.41Å; W1119-R1122 PolarHBondContact O-N 2.8Å; W1119-R1123 WeakPolarHBondContact O-CG 3.43Å; W1119-R1123 PolarHBondContact O-N 3.03Å; W1119-Y1264 CarbonylContact C-O 3.52Å; W1119-D1265 WeakPolarHBondContact CA-OD1 3.3Å; W1119-D1265 WeakPolarHBondContact CB-O 3.4Å; W1119-D1265 VanDerWaalsContact CD1-O 3.25Å; W1119-D1265 PolarHBondContact N-OD1 2.93Å; W1119-P1267 HydrophobicContact CD2-CB 4.37Å; W1119-P1267 HydrophobicContact CZ2-CB 3.94Å; W1119-P1268 VanDerWaalsContact CE3-CD 3.49Å; W1119-P1268 HydrophobicContact CE3-CG 4.19Å; W1119-P1268 VanDerWaalsContact CZ3-CD 3.42Å; W1119-P1268 HydrophobicContact CZ3-CG 3.99Å
1120L85.5Confident69.4Low4 Ų457.3 Ų57.32%0.02128%0.282CS..Hα-helixtrans-60.4-45.6169.1169.663.5000110.3L1117 R1122 R1123 R1124 E1187 K1261 Y1264 D1265L1117-L1120 HydrophobicContact CB-CB 4.35Å; L1117-L1120 HydrophobicContact CB-CD2 4.41Å; L1117-L1120 HydrophobicContact CD1-CD2 4.37Å; L1117-L1120 HydrophobicContact CD2-CB 4.45Å; L1117-L1120 HydrophobicContact CD2-CD2 3.93Å; L1117-L1120 HydrophobicContact CG-CD2 4.45Å; L1120-R1122 VanDerWaalsContact C-N 3.34Å; L1120-R1122 PolarHBondContact O-N 3.48Å; L1120-R1123 PolarHBondContact O-N 3.39Å; L1120-R1124 HydrophobicContact CD1-CG 4.41Å; L1120-R1124 WeakPolarHBondContact O-CG 3.46Å; L1120-R1124 PolarHBondContact O-N 2.74Å; L1120-E1187 HydrophobicContact CD1-CB 3.92Å; L1120-E1187 HydrophobicContact CD1-CG 4.03Å; L1120-K1261 HydrophobicContact CD2-CD 4.46Å; L1120-K1261 HydrophobicContact CD2-CG 3.91Å; L1120-Y1264 WeakPolarHBondContact CA-O 3.42Å; L1120-Y1264 HydrophobicContact CD1-CG 4.22Å; L1120-Y1264 PolarHBondContact N-O 3.21Å; L1120-D1265 HydrophobicContact CB-CB 4.24Å; L1120-D1265 PolarHBondContact N-OD1 2.79Å
1121R83Confident72.3Confident29 Ų2954 Ų5411%0.10925%0.254CS..Hα-helixtrans-56.3-48172.2175.6-173.6174.5-96.2-1.7110.8E1003 E1061 L1117 W1119 R1123 R1124 I1125E1003-R1121 VanDerWaalsContact CD-NH2 3.32Å; E1003-R1121 WeakPolarHBondContact OE1-CD 3.26Å; E1003-R1121 IonicContact OE1-CZ 3.75Å; E1003-R1121 IonicContact OE1-NE 2.77Å; E1003-R1121 PolarHBondContact OE1-NE 3.1Å; E1003-R1121 IonicContact OE1-NH2 3.13Å; E1003-R1121 IonicContact OE2-CZ 3.5Å; E1003-R1121 VanDerWaalsContact OE2-CZ 3.29Å; E1003-R1121 IonicContact OE2-NE 2.78Å; E1003-R1121 PolarHBondContact OE2-NE 3.12Å; E1003-R1121 IonicContact OE2-NH2 2.84Å; E1003-R1121 PolarHBondContact OE2-NH2 2.98Å; E1061-R1121 VanDerWaalsContact CG-NH1 3.32Å; L1117-R1121 WeakPolarHBondContact O-CB 3.24Å; L1117-R1121 PolarHBondContact O-N 3.1Å; W1119-R1121 VanDerWaalsContact C-N 3.33Å; R1121-R1123 PolarHBondContact O-N 3.38Å; R1121-R1124 WeakPolarHBondContact O-CB 3.5Å; R1121-R1124 PolarHBondContact O-N 3Å; R1121-I1125 HydrophobicContact CG-CD1 3.9Å; R1121-I1125 WeakPolarHBondContact O-CG1 3.49Å; R1121-I1125 PolarHBondContact O-N 3.24Å
1122R84.7Confident75.1Confident39 Ų3947.1 Ų47.115%0.14722%0.223CC..Hα-helixtrans-58.7-47.6179.4-169.671.7-146.1-169.37.4112.1G1059 Q1118 W1119 L1120 R1124 I1125 D1126G1059-R1122 PolarHBondContact O-NH1 2.96Å; Q1118-R1122 WeakPolarHBondContact O-CB 3.38Å; Q1118-R1122 PolarHBondContact O-N 3.12Å; W1119-R1122 WeakPolarHBondContact O-CB 3.41Å; W1119-R1122 PolarHBondContact O-N 2.8Å; L1120-R1122 VanDerWaalsContact C-N 3.34Å; L1120-R1122 PolarHBondContact O-N 3.48Å; R1122-R1124 VanDerWaalsContact C-N 3.34Å; R1122-R1124 PolarHBondContact O-N 2.98Å; R1122-I1125 PolarHBondContact O-N 2.68Å; R1122-D1126 IonicContact CZ-OD1 3.4Å; R1122-D1126 IonicContact CZ-OD2 2.77Å; R1122-D1126 IonicContact NE-OD1 3.19Å; R1122-D1126 IonicContact NE-OD2 3.21Å; R1122-D1126 PolarHBondContact NE-OD2 2.93Å; R1122-D1126 IonicContact NH2-OD1 2.77Å; R1122-D1126 PolarHBondContact NH2-OD1 3.5Å; R1122-D1126 IonicContact NH2-OD2 2.74Å; R1122-D1126 PolarHBondContact NH2-OD2 2.95Å; R1122-D1126 VanDerWaalsContact NH2-OD2 3.15Å; R1122-D1126 PolarHBondContact O-N 3.45Å
1123R89.3Confident77.7Confident8 Ų843.2 Ų43.23%0.0321%0.206CC..Hα-helixtrans-63.1-36.7177.5-73.3-178.4175.2106.23112.7W1119 L1120 R1121 G1127 E1187 Q1190 E1194 Y1264 S1266 T1274W1119-R1123 WeakPolarHBondContact O-CG 3.43Å; W1119-R1123 PolarHBondContact O-N 3.03Å; L1120-R1123 PolarHBondContact O-N 3.39Å; R1121-R1123 PolarHBondContact O-N 3.38Å; R1123-G1127 WeakPolarHBondContact O-CA 3.45Å; R1123-G1127 PolarHBondContact O-N 3.42Å; R1123-E1187 HydrophobicContact CB-CB 4.23Å; R1123-Q1190 HydrophobicContact CB-CB 4.07Å; R1123-Q1190 HydrophobicContact CG-CB 4.07Å; R1123-Q1190 WeakPolarHBondContact O-CG 3.18Å; R1123-E1194 IonicContact CZ-OE1 3.87Å; R1123-E1194 VanDerWaalsContact CZ-OE1 3.25Å; R1123-E1194 IonicContact CZ-OE2 2.88Å; R1123-E1194 IonicContact NE-OE1 2.8Å; R1123-E1194 PolarHBondContact NE-OE1 2.89Å; R1123-E1194 IonicContact NE-OE2 3.04Å; R1123-E1194 VanDerWaalsContact NH2-CD 3.33Å; R1123-E1194 IonicContact NH2-OE1 3.51Å; R1123-E1194 PolarHBondContact NH2-OE1 2.95Å; R1123-E1194 IonicContact NH2-OE2 2.72Å; R1123-E1194 PolarHBondContact NH2-OE2 3.15Å; R1123-Y1264 PolarHBondContact NH1-O 2.87Å; R1123-S1266 PolarHBondContact NH1-O 3.34Å; R1123-S1266 PolarHBondContact NH2-O 3.39Å; R1123-T1274 PolarHBondContact NH2-OG1 2.9Å
1124R87.2Confident79.9Confident54 Ų5441.8 Ų41.820%0.20420%0.195CC..Hα-helixtrans-61.9-48.5172.4-77.2178.7172.5177.60.3112.2L1120 R1121 R1122 A1128 P1186 E1187L1120-R1124 HydrophobicContact CD1-CG 4.41Å; L1120-R1124 WeakPolarHBondContact O-CG 3.46Å; L1120-R1124 PolarHBondContact O-N 2.74Å; R1121-R1124 WeakPolarHBondContact O-CB 3.5Å; R1121-R1124 PolarHBondContact O-N 3Å; R1122-R1124 VanDerWaalsContact C-N 3.34Å; R1122-R1124 PolarHBondContact O-N 2.98Å; R1124-A1128 VanDerWaalsContact O-CB 3.26Å; R1124-A1128 WeakPolarHBondContact O-CB 3.37Å; R1124-A1128 PolarHBondContact O-N 3.09Å; R1124-P1186 WeakPolarHBondContact O-CB 3.41Å; R1124-E1187 HydrophobicContact CG-CB 4.11Å; R1124-E1187 WeakPolarHBondContact CG-OE2 3.39Å; R1124-E1187 IonicContact CZ-OE1 3.66Å; R1124-E1187 IonicContact NE-OE1 3.85Å; R1124-E1187 PolarHBondContact NE-OE1 3.32Å; R1124-E1187 IonicContact NE-OE2 3.16Å; R1124-E1187 PolarHBondContact NE-OE2 3.39Å; R1124-E1187 IonicContact NH2-OE1 2.73Å; R1124-E1187 PolarHBondContact NH2-OE1 3.4Å
1125I86.1Confident82Confident6 Ų641.9 Ų41.93%0.03120%0.197CC..Hα-helixtrans-63.7-57.1180-65.7168.1000110.7V999 I1056 R1121 R1122 G1127 A1128 L1129V999-I1125 HydrophobicContact CG1-CG1 3.92Å; I1056-I1125 HydrophobicContact CG2-CG2 4.25Å; R1121-I1125 HydrophobicContact CG-CD1 3.9Å; R1121-I1125 WeakPolarHBondContact O-CG1 3.49Å; R1121-I1125 PolarHBondContact O-N 3.24Å; R1122-I1125 PolarHBondContact O-N 2.68Å; I1125-G1127 VanDerWaalsContact C-N 3.25Å; I1125-G1127 PolarHBondContact O-N 3.24Å; I1125-A1128 PolarHBondContact O-N 2.91Å; I1125-L1129 HydrophobicContact CG2-CD1 3.83Å; I1125-L1129 HydrophobicContact CG2-CG 4.41Å; I1125-L1129 WeakPolarHBondContact O-CB 3.06Å; I1125-L1129 VanDerWaalsContact O-CG 3.29Å; I1125-L1129 WeakPolarHBondContact O-CG 3.34Å; I1125-L1129 PolarHBondContact O-N 3.15Å
1126D88.1Confident84Confident24 Ų2437.1 Ų37.113%0.12817%0.171CC..Hα-helixtrans-65.5-30.5-177.6-70.8-37000111.9R1122 N1130 R1131 Q1190R1122-D1126 IonicContact CZ-OD1 3.4Å; R1122-D1126 IonicContact CZ-OD2 2.77Å; R1122-D1126 IonicContact NE-OD1 3.19Å; R1122-D1126 IonicContact NE-OD2 3.21Å; R1122-D1126 PolarHBondContact NE-OD2 2.93Å; R1122-D1126 IonicContact NH2-OD1 2.77Å; R1122-D1126 PolarHBondContact NH2-OD1 3.5Å; R1122-D1126 IonicContact NH2-OD2 2.74Å; R1122-D1126 PolarHBondContact NH2-OD2 2.95Å; R1122-D1126 VanDerWaalsContact NH2-OD2 3.15Å; R1122-D1126 PolarHBondContact O-N 3.45Å; D1126-N1130 PolarHBondContact O-N 2.92Å; D1126-R1131 HydrophobicContact CB-CB 4.24Å; D1126-R1131 PolarHBondContact O-N 3.31Å; D1126-R1131 WeakPolarHBondContact OD1-CD 3.5Å; D1126-R1131 IonicContact OD1-NE 3.83Å; D1126-Q1190 HydrophobicContact CB-CG 4.35Å; D1126-Q1190 PolarHBondContact O-NE2 3.07Å
1127G88.6Confident85.9Confident0 Ų030.4 Ų30.40%015%0.146CC..Hα-helixtrans-65.9-47.4172.500000112.8R1123 I1125 L1129 N1130 R1189R1123-G1127 WeakPolarHBondContact O-CA 3.45Å; R1123-G1127 PolarHBondContact O-N 3.42Å; I1125-G1127 VanDerWaalsContact C-N 3.25Å; I1125-G1127 PolarHBondContact O-N 3.24Å; G1127-L1129 VanDerWaalsContact C-N 3.32Å; G1127-L1129 PolarHBondContact O-N 3.42Å; G1127-N1130 PolarHBondContact O-N 3.27Å; G1127-N1130 VanDerWaalsContact O-N 3.16Å; G1127-N1130 PolarHBondContact O-OD1 3.4Å; G1127-R1189 PolarHBondContact O-NH1 2.91Å
1128A87Confident87.1Confident1 Ų129.5 Ų29.51%0.00814%0.143CC..Hα-helixtrans-65.3-35.6178.200000112.3L995 V999 R1124 I1125 N1130 P1186L995-A1128 HydrophobicContact CB-CB 4.02Å; V999-A1128 HydrophobicContact CG2-CB 3.54Å; R1124-A1128 VanDerWaalsContact O-CB 3.26Å; R1124-A1128 WeakPolarHBondContact O-CB 3.37Å; R1124-A1128 PolarHBondContact O-N 3.09Å; I1125-A1128 PolarHBondContact O-N 2.91Å; A1128-N1130 VanDerWaalsContact C-N 3.27Å; A1128-N1130 PolarHBondContact O-N 3.39Å; A1128-P1186 HydrophobicContact CB-CB 4.4Å; A1128-P1186 HydrophobicContact CB-CG 4.42Å
1129L88.7Confident87.7Confident3 Ų327.4 Ų27.42%0.01613%0.132CC..THydrogen-bonded Turntrans-77.3-4.8175-66.6-178.8000114.3M988 I996 I1056 L1057 I1125 G1127 R1131M988-L1129 HydrophobicContact CE-CB 3.96Å; M988-L1129 HydrophobicContact CE-CD2 4.04Å; M988-L1129 HydrophobicContact CE-CG 4.43Å; M988-L1129 WeakPolarHBondContact CG-O 3.42Å; M988-L1129 HydrophobicContact SD-CB 4.37Å; I996-L1129 HydrophobicContact CD1-CD2 4.42Å; I996-L1129 HydrophobicContact CG1-CD2 3.91Å; I1056-L1129 HydrophobicContact CG2-CD1 4.39Å; I1056-L1129 HydrophobicContact CG2-CD2 4.5Å; L1057-L1129 HydrophobicContact CD2-CD2 3.89Å; I1125-L1129 HydrophobicContact CG2-CD1 3.83Å; I1125-L1129 HydrophobicContact CG2-CG 4.41Å; I1125-L1129 WeakPolarHBondContact O-CB 3.06Å; I1125-L1129 VanDerWaalsContact O-CG 3.29Å; I1125-L1129 WeakPolarHBondContact O-CG 3.34Å; I1125-L1129 PolarHBondContact O-N 3.15Å; G1127-L1129 VanDerWaalsContact C-N 3.32Å; G1127-L1129 PolarHBondContact O-N 3.42Å; L1129-R1131 HydrophobicContact CB-CB 4.48Å; L1129-R1131 PolarHBondContact O-N 3.01Å
1130N88.5Confident88.1Confident7 Ų723.5 Ų23.54%0.03712%0.117CC..THydrogen-bonded Turntrans5133.5-170.4-71.8-7.8000113.5D1126 G1127 A1128 V1132 E1177 N1181 R1189D1126-N1130 PolarHBondContact O-N 2.92Å; G1127-N1130 PolarHBondContact O-N 3.27Å; G1127-N1130 VanDerWaalsContact O-N 3.16Å; G1127-N1130 PolarHBondContact O-OD1 3.4Å; A1128-N1130 VanDerWaalsContact C-N 3.27Å; A1128-N1130 PolarHBondContact O-N 3.39Å; N1130-V1132 PolarHBondContact O-N 3.27Å; N1130-E1177 PolarHBondContact ND2-OE2 3.48Å; N1130-N1181 PolarHBondContact ND2-OD1 2.95Å; N1130-N1181 PolarHBondContact OD1-OD1 3.31Å; N1130-R1189 PolarHBondContact OD1-NH1 3.1Å
1131R88.2Confident88.4Confident47 Ų4724.6 Ų24.618%0.17712%0.121CC..  trans-78.2121.5-179.9-171.9-177.1-62.7-73.58.1109.8L984 T986 M988 L1057 D1126 L1129 Q1190L984-R1131 PolarHBondContact O-NH1 3.41Å; L984-R1131 PolarHBondContact O-NH2 2.97Å; T986-R1131 PolarHBondContact O-NH1 2.89Å; M988-R1131 HydrophobicContact CG-CB 4.03Å; M988-R1131 HydrophobicContact CG-CG 4.31Å; M988-R1131 PolarHBondContact SD-NH1 3.37Å; M988-R1131 PolarHBondContact SD-NH2 3.11Å; L1057-R1131 PolarHBondContact O-NH2 2.93Å; D1126-R1131 HydrophobicContact CB-CB 4.24Å; D1126-R1131 PolarHBondContact O-N 3.31Å; D1126-R1131 WeakPolarHBondContact OD1-CD 3.5Å; D1126-R1131 IonicContact OD1-NE 3.83Å; L1129-R1131 HydrophobicContact CB-CB 4.48Å; L1129-R1131 PolarHBondContact O-N 3.01Å; R1131-Q1190 PolarHBondContact O-NE2 3.42Å
1132V89Confident88.8Confident11 Ų1128.1 Ų28.17%0.06713%0.134CC..  trans-109164.9175.4-61.30000111.9E987 N1130 F1136 Y1137 V1193E987-V1132 HydrophobicContact CB-CG2 3.97Å; E987-V1132 WeakPolarHBondContact CB-O 3.49Å; E987-V1132 PolarHBondContact O-N 2.97Å; E987-V1132 VanDerWaalsContact O-N 3.14Å; N1130-V1132 PolarHBondContact O-N 3.27Å; V1132-F1136 HydrophobicContact CB-CB 4.02Å; V1132-F1136 HydrophobicContact CB-CD1 3.94Å; V1132-F1136 HydrophobicContact CB-CG 3.92Å; V1132-F1136 HydrophobicContact CG1-CD1 3.97Å; V1132-F1136 HydrophobicContact CG1-CE1 4.14Å; V1132-F1136 HydrophobicContact CG1-CG 4.36Å; V1132-F1136 HydrophobicContact CG2-CB 3.88Å; V1132-F1136 HydrophobicContact CG2-CD1 3.97Å; V1132-F1136 HydrophobicContact CG2-CG 4.12Å; V1132-Y1137 HydrophobicContact CG2-CD2 4.45Å; V1132-Y1137 HydrophobicContact CG2-CE2 3.66Å; V1132-V1193 HydrophobicContact CG1-CG1 4.31Å; V1132-V1193 HydrophobicContact CG1-CG2 4.25Å
1133P87.2Confident89.1Confident23 Ų2326.3 Ų26.315%0.14913%0.128CC..  trans-64.8156.4171.1-24.736.9000112.8I1086 F1136 V1193 M1197I1086-P1133 HydrophobicContact CD1-CB 4.49Å; I1086-P1133 HydrophobicContact CD1-CG 4.25Å; P1133-F1136 WeakPolarHBondContact O-CB 3.47Å; P1133-F1136 PolarHBondContact O-N 3.44Å; P1133-V1193 HydrophobicContact CG-CG1 4.33Å; P1133-M1197 HydrophobicContact CB-CE 4.27Å; P1133-M1197 HydrophobicContact CG-CG 4.14Å
1134P83.5Confident89.2Confident76 Ų7626 Ų2649%0.49413%0.126SC..THydrogen-bonded Turntrans-54.3148.6171.2-2534.9000112.6F1136P1134-F1136 PolarHBondContact O-N 2.98Å
1135D84.9Confident89.2Confident103 Ų10328.3 Ų28.355%0.55114%0.135SC*.THydrogen-bonded Turntrans59.90.4-176.6-59.9-41000116.3Y1137 S1138 R1139D1135-Y1137 PolarHBondContact O-N 2.95Å; D1135-S1138 PolarHBondContact O-N 2.86Å; D1135-S1138 PolarHBondContact O-OG 2.97Å; D1135-R1139 HydrophobicContact CB-CG 4.26Å; D1135-R1139 WeakPolarHBondContact O-CG 3.34Å; D1135-R1139 PolarHBondContact O-N 3.12Å
1136F91.5Very high89Confident0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-43.9-57.4-173.5173.5-100.1000112.4V1132 P1133 P1134 S1138 R1139 I1140 V1176 L1180 V1193 M1196 M1197V1132-F1136 HydrophobicContact CB-CB 4.02Å; V1132-F1136 HydrophobicContact CB-CD1 3.94Å; V1132-F1136 HydrophobicContact CB-CG 3.92Å; V1132-F1136 HydrophobicContact CG1-CD1 3.97Å; V1132-F1136 HydrophobicContact CG1-CE1 4.14Å; V1132-F1136 HydrophobicContact CG1-CG 4.36Å; V1132-F1136 HydrophobicContact CG2-CB 3.88Å; V1132-F1136 HydrophobicContact CG2-CD1 3.97Å; V1132-F1136 HydrophobicContact CG2-CG 4.12Å; P1133-F1136 WeakPolarHBondContact O-CB 3.47Å; P1133-F1136 PolarHBondContact O-N 3.44Å; P1134-F1136 PolarHBondContact O-N 2.98Å; F1136-S1138 VanDerWaalsContact C-N 3.34Å; F1136-S1138 PolarHBondContact O-N 3.4Å; F1136-R1139 WeakPolarHBondContact O-CB 3.4Å; F1136-R1139 PolarHBondContact O-N 3.14Å; F1136-R1139 VanDerWaalsContact O-N 3.07Å; F1136-I1140 HydrophobicContact CD1-CG1 4.32Å; F1136-I1140 HydrophobicContact CD2-CD1 4.43Å; F1136-I1140 HydrophobicContact CD2-CG1 4.32Å; F1136-I1140 HydrophobicContact CE1-CG1 4.02Å; F1136-I1140 HydrophobicContact CE2-CD1 3.97Å; F1136-I1140 HydrophobicContact CE2-CG1 4.02Å; F1136-I1140 HydrophobicContact CG-CG1 4.46Å; F1136-I1140 HydrophobicContact CZ-CD1 4.16Å; F1136-I1140 HydrophobicContact CZ-CG1 3.86Å; F1136-I1140 WeakPolarHBondContact O-CG1 3.18Å; F1136-I1140 PolarHBondContact O-N 3.07Å; F1136-V1176 HydrophobicContact CE1-CG1 3.86Å; F1136-V1176 HydrophobicContact CZ-CG1 4.44Å; F1136-L1180 HydrophobicContact CE1-CD1 4Å; F1136-L1180 HydrophobicContact CZ-CD1 4.05Å; F1136-V1193 HydrophobicContact CD2-CG1 4.22Å; F1136-V1193 HydrophobicContact CE2-CB 4.46Å; F1136-V1193 HydrophobicContact CE2-CG1 3.9Å; F1136-V1193 HydrophobicContact CZ-CG1 4.47Å; F1136-V1193 HydrophobicContact CZ-CG2 4.34Å; F1136-M1196 HydrophobicContact CE2-CB 4.15Å; F1136-M1196 HydrophobicContact CZ-CE 3.95Å; F1136-M1196 HydrophobicContact CZ-SD 4.29Å; F1136-M1197 HydrophobicContact CB-SD 4.45Å; F1136-M1197 HydrophobicContact CD2-CG 3.89Å; F1136-M1197 HydrophobicContact CD2-SD 3.74Å; F1136-M1197 HydrophobicContact CE2-CG 4.33Å
1137Y91.7Very high88.9Confident17 Ų1729.5 Ų29.57%0.06714%0.144CC..Hα-helixtrans-60.2-39.7-178.4-57.1-71.5000113.1M989 V1132 D1135 R1139 I1140 W1141 F1172 A1173 V1176 E1177M989-Y1137 HydrophobicContact CG-CE2 3.99Å; M989-Y1137 HydrophobicContact SD-CE2 4.25Å; V1132-Y1137 HydrophobicContact CG2-CD2 4.45Å; V1132-Y1137 HydrophobicContact CG2-CE2 3.66Å; D1135-Y1137 PolarHBondContact O-N 2.95Å; Y1137-R1139 VanDerWaalsContact C-N 3.3Å; Y1137-R1139 PolarHBondContact O-N 2.71Å; Y1137-I1140 PolarHBondContact O-N 3.1Å; Y1137-W1141 PolarHBondContact O-N 3.05Å; Y1137-F1172 WeakPolarHBondContact O-CE1 3.27Å; Y1137-A1173 HydrophobicContact CD1-CB 3.62Å; Y1137-A1173 HydrophobicContact CD2-CB 3.83Å; Y1137-A1173 HydrophobicContact CE1-CB 4.08Å; Y1137-A1173 VanDerWaalsContact CE1-O 3.31Å; Y1137-A1173 WeakPolarHBondContact CE1-O 3.19Å; Y1137-A1173 HydrophobicContact CE2-CB 4.28Å; Y1137-A1173 HydrophobicContact CG-CB 3.47Å; Y1137-A1173 VanDerWaalsContact CG-CB 3.47Å; Y1137-V1176 HydrophobicContact CD1-CB 4.03Å; Y1137-V1176 HydrophobicContact CD1-CG1 4.19Å; Y1137-V1176 HydrophobicContact CE1-CB 4.16Å; Y1137-V1176 HydrophobicContact CE1-CG1 4.23Å; Y1137-E1177 HydrophobicContact CE1-CB 4.38Å
1138S91Very high88.7Confident21 Ų2133.9 Ų33.915%0.14716%0.164CC..Hα-helixtrans-65.8-34.8176.980.30000112.3D1135 F1136 W1141 R1142 T1167D1135-S1138 PolarHBondContact O-N 2.86Å; D1135-S1138 PolarHBondContact O-OG 2.97Å; F1136-S1138 VanDerWaalsContact C-N 3.34Å; F1136-S1138 PolarHBondContact O-N 3.4Å; S1138-W1141 PolarHBondContact O-N 3.27Å; S1138-R1142 PolarHBondContact O-N 3.49Å; S1138-R1142 PolarHBondContact OG-NH2 3.11Å; S1138-T1167 WeakPolarHBondContact CA-OG1 3.45Å; S1138-T1167 WeakPolarHBondContact CB-OG1 3.5Å
1139R92.3Very high88.9Confident20 Ų2033.8 Ų33.88%0.07516%0.164CC..Hα-helixtrans-70-43.7176.6-65.2169161.4-71.4-20.8111.1D1135 F1136 Y1137 W1141 R1142 L1143 T1200 E1204D1135-R1139 HydrophobicContact CB-CG 4.26Å; D1135-R1139 WeakPolarHBondContact O-CG 3.34Å; D1135-R1139 PolarHBondContact O-N 3.12Å; F1136-R1139 WeakPolarHBondContact O-CB 3.4Å; F1136-R1139 PolarHBondContact O-N 3.14Å; F1136-R1139 VanDerWaalsContact O-N 3.07Å; Y1137-R1139 VanDerWaalsContact C-N 3.3Å; Y1137-R1139 PolarHBondContact O-N 2.71Å; R1139-W1141 VanDerWaalsContact C-N 3.29Å; R1139-W1141 PolarHBondContact O-N 2.7Å; R1139-R1142 PolarHBondContact O-N 3.42Å; R1139-L1143 PolarHBondContact O-N 3.31Å; R1139-T1200 HydrophobicContact CB-CG2 3.61Å; R1139-E1204 IonicContact CZ-OE1 2.75Å; R1139-E1204 IonicContact CZ-OE2 2.8Å; R1139-E1204 VanDerWaalsContact NH1-CD 3.28Å; R1139-E1204 IonicContact NH1-OE1 3.58Å; R1139-E1204 PolarHBondContact NH1-OE1 2.82Å; R1139-E1204 IonicContact NH1-OE2 2.73Å; R1139-E1204 PolarHBondContact NH1-OE2 3.11Å; R1139-E1204 IonicContact NH2-OE1 3.92Å; R1139-E1204 IonicContact NH2-OE2 3.16Å; R1139-E1204 PolarHBondContact NH2-OE2 3.37Å
1140I93.5Very high89Confident0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-61.5-37.1174-57.2-47.5000111.3F1136 Y1137 R1142 L1143 L1144 F1172 V1176 M1196 T1200F1136-I1140 HydrophobicContact CD1-CG1 4.32Å; F1136-I1140 HydrophobicContact CD2-CD1 4.43Å; F1136-I1140 HydrophobicContact CD2-CG1 4.32Å; F1136-I1140 HydrophobicContact CE1-CG1 4.02Å; F1136-I1140 HydrophobicContact CE2-CD1 3.97Å; F1136-I1140 HydrophobicContact CE2-CG1 4.02Å; F1136-I1140 HydrophobicContact CG-CG1 4.46Å; F1136-I1140 HydrophobicContact CZ-CD1 4.16Å; F1136-I1140 HydrophobicContact CZ-CG1 3.86Å; F1136-I1140 WeakPolarHBondContact O-CG1 3.18Å; F1136-I1140 PolarHBondContact O-N 3.07Å; Y1137-I1140 PolarHBondContact O-N 3.1Å; I1140-R1142 PolarHBondContact O-N 2.76Å; I1140-L1143 HydrophobicContact CD1-CD2 4.47Å; I1140-L1143 PolarHBondContact O-N 3.14Å; I1140-L1144 HydrophobicContact CG2-CD1 4.14Å; I1140-L1144 HydrophobicContact CG2-CG 4.3Å; I1140-L1144 WeakPolarHBondContact O-CB 3.33Å; I1140-L1144 WeakPolarHBondContact O-CG 3.13Å; I1140-L1144 PolarHBondContact O-N 3.15Å; I1140-F1172 HydrophobicContact CG2-CZ 4.28Å; I1140-V1176 HydrophobicContact CG2-CG1 4.45Å; I1140-V1176 HydrophobicContact CG2-CG2 4.16Å; I1140-M1196 HydrophobicContact CD1-CB 3.88Å; I1140-M1196 HydrophobicContact CD1-CE 3.68Å; I1140-M1196 HydrophobicContact CG1-CE 3.92Å; I1140-M1196 HydrophobicContact CG2-CE 4.1Å; I1140-T1200 HydrophobicContact CD1-CG2 3.75Å
1141W93.4Very high89.3Confident28 Ų2834.9 Ų34.911%0.10617%0.169CC..Hα-helixtrans-63.1-40.9175.1-170.294.1000112.7Y1137 S1138 R1139 L1144 R1145 T1162 M1165 F1172Y1137-W1141 PolarHBondContact O-N 3.05Å; S1138-W1141 PolarHBondContact O-N 3.27Å; R1139-W1141 VanDerWaalsContact C-N 3.29Å; R1139-W1141 PolarHBondContact O-N 2.7Å; W1141-L1144 PolarHBondContact O-N 2.78Å; W1141-R1145 VanDerWaalsContact CZ3-CD 3.43Å; W1141-R1145 HydrophobicContact CZ3-CG 4.48Å; W1141-R1145 PolarHBondContact O-N 3.31Å; W1141-T1162 HydrophobicContact CG-CG2 4.38Å; W1141-M1165 PolarHBondContact NE1-O 2.76Å; W1141-F1172 HydrophobicContact CB-CD1 4.37Å; W1141-F1172 HydrophobicContact CB-CE1 3.77Å; W1141-F1172 HydrophobicContact CB-CE2 4.48Å; W1141-F1172 HydrophobicContact CB-CZ 3.83Å; W1141-F1172 AromaticContact CD1-CD2 3.84Å; W1141-F1172 AromaticContact CD1-CE2 3.77Å; W1141-F1172 AromaticContact CD1-CZ 3.98Å; W1141-F1172 HydrophobicContact CG-CE1 4.45Å; W1141-F1172 HydrophobicContact CG-CZ 4.32Å
1142R91.2Very high89.5Confident103 Ų10332.7 Ų32.739%0.38916%0.161SC..Hα-helixtrans-64.3-46.1173.8-65.3178.3-150.8109.621.2111.7S1138 R1139 I1140 L1144 R1145 E1204S1138-R1142 PolarHBondContact O-N 3.49Å; S1138-R1142 PolarHBondContact OG-NH2 3.11Å; R1139-R1142 PolarHBondContact O-N 3.42Å; I1140-R1142 PolarHBondContact O-N 2.76Å; R1142-L1144 VanDerWaalsContact C-N 3.33Å; R1142-L1144 PolarHBondContact O-N 3.47Å; R1142-R1145 WeakPolarHBondContact O-CB 3.24Å; R1142-R1145 PolarHBondContact O-N 2.89Å; R1142-E1204 IonicContact NH1-OE1 2.78Å; R1142-E1204 PolarHBondContact NH1-OE1 3.47Å
1143L90.2Very high89.4Confident1 Ų133.6 Ų33.61%0.00517%0.172CC..Hα-helixtrans-57.6-43.4176.917965000111.9R1139 I1140 R1145 T1146 C1147 V1150 L1199 T1200 L1211R1139-L1143 PolarHBondContact O-N 3.31Å; I1140-L1143 HydrophobicContact CD1-CD2 4.47Å; I1140-L1143 PolarHBondContact O-N 3.14Å; L1143-R1145 PolarHBondContact O-N 3.02Å; L1143-R1145 VanDerWaalsContact O-N 3.16Å; L1143-T1146 PolarHBondContact O-N 3.29Å; L1143-T1146 PolarHBondContact O-OG1 3.31Å; L1143-C1147 PolarHBondContact O-N 3.19Å; L1143-C1147 PolarHBondContact O-SG 2.72Å; L1143-C1147 VanDerWaalsContact O-SG 3.35Å; L1143-V1150 HydrophobicContact CD2-CG2 4.08Å; L1143-V1150 HydrophobicContact CG-CG2 4.45Å; L1143-L1199 HydrophobicContact CD1-CB 4.2Å; L1143-L1199 HydrophobicContact CD2-CB 3.72Å; L1143-T1200 HydrophobicContact CB-CG2 4.12Å; L1143-T1200 HydrophobicContact CD2-CG2 4.04Å; L1143-L1211 HydrophobicContact CD1-CD1 3.57Å
1144L91Very high89.4Confident0 Ų035.1 Ų35.10%019%0.193CC..Hα-helixtrans-68.9-7.6176.3-69.5178.1000114.2I1140 W1141 R1142 V1150 L1157 R1159 T1162 F1172I1140-L1144 HydrophobicContact CG2-CD1 4.14Å; I1140-L1144 HydrophobicContact CG2-CG 4.3Å; I1140-L1144 WeakPolarHBondContact O-CB 3.33Å; I1140-L1144 WeakPolarHBondContact O-CG 3.13Å; I1140-L1144 PolarHBondContact O-N 3.15Å; W1141-L1144 PolarHBondContact O-N 2.78Å; R1142-L1144 VanDerWaalsContact C-N 3.33Å; R1142-L1144 PolarHBondContact O-N 3.47Å; L1144-V1150 HydrophobicContact CD2-CG2 4.04Å; L1144-L1157 HydrophobicContact CD1-CB 4.23Å; L1144-L1157 HydrophobicContact CD2-CB 4.19Å; L1144-L1157 VanDerWaalsContact CD2-O 3.26Å; L1144-L1157 WeakPolarHBondContact CD2-O 3.19Å; L1144-R1159 WeakPolarHBondContact O-CB 3.24Å; L1144-R1159 WeakPolarHBondContact O-CG 3.47Å; L1144-T1162 HydrophobicContact CB-CG2 3.48Å; L1144-T1162 VanDerWaalsContact CB-CG2 3.48Å; L1144-F1172 HydrophobicContact CD1-CE2 3.99Å; L1144-F1172 HydrophobicContact CD1-CZ 3.94Å
1145R87.1Confident89.8Confident103 Ų10334.6 Ų34.639%0.38918%0.184SC..Hα-helixtrans-85.9-19.8166.3-72.3-177.664.5139.3-2.9113E380 W1141 R1142 L1143 T1162E380-R1145 IonicContact OE1-NH1 3.75Å; W1141-R1145 VanDerWaalsContact CZ3-CD 3.43Å; W1141-R1145 HydrophobicContact CZ3-CG 4.48Å; W1141-R1145 PolarHBondContact O-N 3.31Å; R1142-R1145 WeakPolarHBondContact O-CB 3.24Å; R1142-R1145 PolarHBondContact O-N 2.89Å; L1143-R1145 PolarHBondContact O-N 3.02Å; L1143-R1145 VanDerWaalsContact O-N 3.16Å; R1145-T1162 HydrophobicContact CG-CG2 4.01Å
1146T83.1Confident90.1Very high53 Ų5333.2 Ų33.233%0.32518%0.179SC..Hα-helixtrans-100.9-21-176.461.60000114.4L1143 S1203L1143-T1146 PolarHBondContact O-N 3.29Å; L1143-T1146 PolarHBondContact O-OG1 3.31Å; T1146-S1203 PolarHBondContact OG1-OG 3.32Å; T1146-S1203 VanDerWaalsContact OG1-OG 3.04Å
1147C84.7Confident90.1Very high3 Ų333.3 Ų33.32%0.0218%0.179CC..SBendtrans-115.5167.3171.967.50000112.9L1143 G1149 R1159 L1211 V1216L1143-C1147 PolarHBondContact O-N 3.19Å; L1143-C1147 PolarHBondContact O-SG 2.72Å; L1143-C1147 VanDerWaalsContact O-SG 3.35Å; C1147-G1149 VanDerWaalsContact C-N 3.34Å; C1147-R1159 WeakPolarHBondContact O-CD 3.26Å; C1147-L1211 HydrophobicContact CB-CB 4.34Å; C1147-V1216 HydrophobicContact CB-CG2 4.06Å
1148E85.5Confident90.1Very high91 Ų9135.9 Ų35.943%0.42519%0.192SC..SBendtrans-68.2-34.5171.6-175.5178.5-145.900112.1R1159 G1214 L1215E1148-R1159 WeakPolarHBondContact O-CB 3.47Å; E1148-R1159 PolarHBondContact O-N 3.04Å; E1148-G1214 VanDerWaalsContact OE2-CA 3.26Å; E1148-G1214 WeakPolarHBondContact OE2-CA 3.46Å; E1148-L1215 HydrophobicContact CB-CD2 4.3Å; E1148-L1215 HydrophobicContact CG-CD2 4.07Å
1149G90Very high90Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans173173.3174.800000112.4C1147 L1157 L1215 V1216C1147-G1149 VanDerWaalsContact C-N 3.34Å; G1149-L1157 CarbonylContact C-O 3.54Å; G1149-L1157 WeakPolarHBondContact CA-O 3.34Å; G1149-L1215 WeakPolarHBondContact O-CA 3.49Å; G1149-V1216 PolarHBondContact O-N 3.13Å
1150V92.3Very high89.9Confident0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-119.7126.5177.1-170.70000109.5L1143 L1144 V1152 L1157 L1199 V1216 A1218L1143-V1150 HydrophobicContact CD2-CG2 4.08Å; L1143-V1150 HydrophobicContact CG-CG2 4.45Å; L1144-V1150 HydrophobicContact CD2-CG2 4.04Å; V1150-V1152 HydrophobicContact CB-CG2 4.31Å; V1150-V1152 HydrophobicContact CG1-CG2 3.68Å; V1150-L1157 PolarHBondContact N-O 3.06Å; V1150-L1157 PolarHBondContact O-N 3.38Å; V1150-L1199 HydrophobicContact CG1-CD1 4.37Å; V1150-V1216 CarbonylContact C-O 3.58Å; V1150-V1216 WeakPolarHBondContact CA-O 3.23Å; V1150-A1218 HydrophobicContact CG1-CB 4.27Å
1151I93.6Very high89.7Confident32 Ų3243.9 Ų43.916%0.16423%0.225CC..EExtended strand (participates in β ladder)trans-85.1124.7169.9-62157.9000108.3Q1155 V1156 L1215 V1216 N1217 A1218I1151-Q1155 CarbonylContact C-O 3.33Å; I1151-Q1155 VanDerWaalsContact CA-O 3.28Å; I1151-Q1155 WeakPolarHBondContact CA-O 3.44Å; I1151-V1156 HydrophobicContact CG1-CG2 4.22Å; I1151-L1215 HydrophobicContact CD1-CB 3.75Å; I1151-L1215 HydrophobicContact CD1-CD1 4.08Å; I1151-L1215 HydrophobicContact CG1-CB 4.03Å; I1151-L1215 HydrophobicContact CG1-CD1 4.18Å; I1151-V1216 PolarHBondContact N-O 2.91Å; I1151-N1217 HydrophobicContact CB-CB 4.4Å; I1151-N1217 HydrophobicContact CD1-CB 4.33Å; I1151-A1218 WeakPolarHBondContact O-CB 3.2Å; I1151-A1218 PolarHBondContact O-N 2.96Å
1152V93.1Very high89.5Confident1 Ų142.7 Ų42.71%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-138.6115.6-176.7-174.40000108.9V1150 G1154 Q1155 L1157 V1179 L1180 I1183 L1192 M1196 A1218V1150-V1152 HydrophobicContact CB-CG2 4.31Å; V1150-V1152 HydrophobicContact CG1-CG2 3.68Å; V1152-G1154 PolarHBondContact O-N 3.19Å; V1152-Q1155 PolarHBondContact N-O 2.77Å; V1152-Q1155 WeakPolarHBondContact O-CB 3.34Å; V1152-Q1155 PolarHBondContact O-N 3.12Å; V1152-L1157 HydrophobicContact CG2-CD1 4.26Å; V1152-V1179 HydrophobicContact CB-CG1 4.06Å; V1152-V1179 HydrophobicContact CG1-CG1 4.42Å; V1152-L1180 HydrophobicContact CG1-CD2 3.89Å; V1152-I1183 HydrophobicContact CG1-CD1 4.25Å; V1152-L1192 HydrophobicContact CG1-CB 4.23Å; V1152-L1192 HydrophobicContact CG1-CD1 4.15Å; V1152-M1196 HydrophobicContact CB-SD 4.46Å; V1152-M1196 HydrophobicContact CG1-SD 3.91Å; V1152-M1196 HydrophobicContact CG2-CE 4.22Å; V1152-M1196 HydrophobicContact CG2-CG 4.32Å; V1152-M1196 HydrophobicContact CG2-SD 3.67Å; V1152-A1218 HydrophobicContact CG2-CB 4.22Å
1153G86.8Confident89.3Confident30 Ų3040.3 Ų40.331%0.30921%0.214SC..THydrogen-bonded Turntrans60.732.2-177.100000112.9Q1155 D1219G1153-Q1155 PolarHBondContact O-N 3.17Å; G1153-D1219 PolarHBondContact N-OD2 3.07Å
1154G87Confident89Confident56 Ų5642.7 Ų42.758%0.57723%0.225SC*.THydrogen-bonded Turntrans69.814.1-173.800000115.2V1152V1152-G1154 PolarHBondContact O-N 3.19Å
1155Q91.5Very high88.8Confident64 Ų6443.2 Ų43.230%0.29923%0.228SC..EExtended strand (participates in β ladder)trans-110.7147173.9-58.4-68.6-79.800110.2I1151 V1152 G1153 V1179 K1182I1151-Q1155 CarbonylContact C-O 3.33Å; I1151-Q1155 VanDerWaalsContact CA-O 3.28Å; I1151-Q1155 WeakPolarHBondContact CA-O 3.44Å; V1152-Q1155 PolarHBondContact N-O 2.77Å; V1152-Q1155 WeakPolarHBondContact O-CB 3.34Å; V1152-Q1155 PolarHBondContact O-N 3.12Å; G1153-Q1155 PolarHBondContact O-N 3.17Å; Q1155-V1179 HydrophobicContact CB-CG1 3.85Å; Q1155-V1179 HydrophobicContact CB-CG2 4.28Å; Q1155-K1182 HydrophobicContact CG-CD 3.87Å; Q1155-K1182 VanDerWaalsContact OE1-CD 3.23Å
1156V91.3Very high88.9Confident74 Ų7438.8 Ų38.845%0.44821%0.212SC..EExtended strand (participates in β ladder)trans-99.7121.9-179.4-171.50000110.8I1151 H1158 L1215I1151-V1156 HydrophobicContact CG1-CG2 4.22Å; V1156-H1158 HydrophobicContact CG1-CB 4.48Å; V1156-L1215 HydrophobicContact CG1-CD1 4.05Å; V1156-L1215 HydrophobicContact CG1-CD2 3.9Å; V1156-L1215 HydrophobicContact CG2-CD1 4.2Å
1157L92.4Very high89.2Confident2 Ų238.4 Ų38.41%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-88.399.8160-70.6170.7000108L1144 G1149 V1150 V1152 L1161 V1176 V1179 M1196L1144-L1157 HydrophobicContact CD1-CB 4.23Å; L1144-L1157 HydrophobicContact CD2-CB 4.19Å; L1144-L1157 VanDerWaalsContact CD2-O 3.26Å; L1144-L1157 WeakPolarHBondContact CD2-O 3.19Å; G1149-L1157 CarbonylContact C-O 3.54Å; G1149-L1157 WeakPolarHBondContact CA-O 3.34Å; V1150-L1157 PolarHBondContact N-O 3.06Å; V1150-L1157 PolarHBondContact O-N 3.38Å; V1152-L1157 HydrophobicContact CG2-CD1 4.26Å; L1157-L1161 HydrophobicContact CD2-CD1 3.98Å; L1157-V1176 HydrophobicContact CD1-CG1 4.25Å; L1157-V1176 HydrophobicContact CD1-CG2 4.48Å; L1157-V1176 HydrophobicContact CD2-CG2 4.26Å; L1157-V1179 HydrophobicContact CD2-CB 4.09Å; L1157-V1179 HydrophobicContact CD2-CG1 4.49Å; L1157-V1179 HydrophobicContact CD2-CG2 3.69Å; L1157-V1179 HydrophobicContact CG-CB 4.41Å; L1157-V1179 HydrophobicContact CG-CG1 4.27Å; L1157-V1179 HydrophobicContact CG-CG2 4.23Å; L1157-M1196 HydrophobicContact CD1-CE 3.84Å
1158H90.8Very high89.1Confident72 Ų7240 Ų4033%0.33323%0.228SC..EExtended strand (participates in β ladder)trans-83.4148.3-176.6-154.5-99.1000112.2V1156 N1160 L1161V1156-H1158 HydrophobicContact CG1-CB 4.48Å; H1158-N1160 PolarHBondContact CE1-OD1 3.13Å; H1158-N1160 VanDerWaalsContact CE1-OD1 3.23Å; H1158-N1160 VanDerWaalsContact ND1-CG 3.26Å; H1158-N1160 PolarHBondContact ND1-N 3.44Å; H1158-N1160 PolarHBondContact ND1-OD1 3.04Å; H1158-N1160 PolarHBondContact O-N 2.81Å; H1158-L1161 WeakPolarHBondContact O-CB 3.41Å; H1158-L1161 WeakPolarHBondContact O-CG 3.37Å; H1158-L1161 PolarHBondContact O-N 3.27Å; H1158-L1161 VanDerWaalsContact O-N 3.14Å
1159R90Very high89.1Confident120 Ų12036 Ų3645%0.45321%0.208SC..THydrogen-bonded Turntrans-53.9-25.1174172.6162.8-177.6-168.84.7114.2L1144 C1147 E1148 L1161 T1162L1144-R1159 WeakPolarHBondContact O-CB 3.24Å; L1144-R1159 WeakPolarHBondContact O-CG 3.47Å; C1147-R1159 WeakPolarHBondContact O-CD 3.26Å; E1148-R1159 WeakPolarHBondContact O-CB 3.47Å; E1148-R1159 PolarHBondContact O-N 3.04Å; R1159-L1161 PolarHBondContact O-N 3.15Å; R1159-L1161 VanDerWaalsContact O-N 3.12Å; R1159-T1162 WeakPolarHBondContact O-CB 3.35Å; R1159-T1162 PolarHBondContact O-N 3.1Å; R1159-T1162 PolarHBondContact O-OG1 2.88Å
1160N89.5Confident88.7Confident67 Ų6737.2 Ų37.236%0.35821%0.214SC..Hα-helixtrans-53.4-33.8177-69.423.6000112.2H1158 T1162 Q1163 E1164H1158-N1160 PolarHBondContact CE1-OD1 3.13Å; H1158-N1160 VanDerWaalsContact CE1-OD1 3.23Å; H1158-N1160 VanDerWaalsContact ND1-CG 3.26Å; H1158-N1160 PolarHBondContact ND1-N 3.44Å; H1158-N1160 PolarHBondContact ND1-OD1 3.04Å; H1158-N1160 PolarHBondContact O-N 2.81Å; N1160-T1162 PolarHBondContact O-N 2.97Å; N1160-T1162 VanDerWaalsContact O-N 3.07Å; N1160-Q1163 WeakPolarHBondContact O-CA 3.37Å; N1160-Q1163 VanDerWaalsContact O-CB 3.28Å; N1160-Q1163 WeakPolarHBondContact O-CB 3.28Å; N1160-Q1163 PolarHBondContact O-N 2.97Å; N1160-E1164 WeakPolarHBondContact O-CG 3.32Å; N1160-E1164 PolarHBondContact O-N 3Å
1161L89.1Confident88.2Confident22 Ų2240.2 Ų40.212%0.11523%0.227CC..Hα-helixtrans-56.5-27.4175.4-62.5175.6000113.2L1157 H1158 R1159 M1165 F1172 T1175L1157-L1161 HydrophobicContact CD2-CD1 3.98Å; H1158-L1161 WeakPolarHBondContact O-CB 3.41Å; H1158-L1161 WeakPolarHBondContact O-CG 3.37Å; H1158-L1161 PolarHBondContact O-N 3.27Å; H1158-L1161 VanDerWaalsContact O-N 3.14Å; R1159-L1161 PolarHBondContact O-N 3.15Å; R1159-L1161 VanDerWaalsContact O-N 3.12Å; L1161-M1165 HydrophobicContact CD2-CE 4.44Å; L1161-M1165 WeakPolarHBondContact O-CB 3.47Å; L1161-M1165 PolarHBondContact O-N 3.15Å; L1161-F1172 HydrophobicContact CB-CD2 4.16Å; L1161-F1172 HydrophobicContact CB-CE2 3.96Å; L1161-T1175 HydrophobicContact CD1-CG2 3.99Å; L1161-T1175 HydrophobicContact CD2-CG2 3.97Å
1162T89.2Confident88Confident2 Ų238.8 Ų38.81%0.01222%0.219CC..Hα-helixtrans-80.7-18.4175.170.90000113.4R356 W1141 L1144 R1145 R1159 N1160 M1165R356-T1162 VanDerWaalsContact CZ-O 3.3Å; R356-T1162 PolarHBondContact NH1-O 3.41Å; R356-T1162 PolarHBondContact NH2-O 3.23Å; W1141-T1162 HydrophobicContact CG-CG2 4.38Å; L1144-T1162 HydrophobicContact CB-CG2 3.48Å; L1144-T1162 VanDerWaalsContact CB-CG2 3.48Å; R1145-T1162 HydrophobicContact CG-CG2 4.01Å; R1159-T1162 WeakPolarHBondContact O-CB 3.35Å; R1159-T1162 PolarHBondContact O-N 3.1Å; R1159-T1162 PolarHBondContact O-OG1 2.88Å; N1160-T1162 PolarHBondContact O-N 2.97Å; N1160-T1162 VanDerWaalsContact O-N 3.07Å; T1162-M1165 CarbonylContact C-O 3.56Å
1163Q86.1Confident87.8Confident53 Ų5339.1 Ų39.125%0.24822%0.222CC..Hα-helixtrans-82.1-41.9171.2-42.9-173.4-63.900110.1R356 Q377 N1160R356-Q1163 VanDerWaalsContact NH1-C 3.34Å; R356-Q1163 PolarHBondContact NH1-O 3.21Å; Q377-Q1163 HydrophobicContact CB-CB 3.98Å; Q377-Q1163 PolarHBondContact N-O 3.3Å; Q377-Q1163 VanDerWaalsContact OE1-CG 3.25Å; Q377-Q1163 VanDerWaalsContact OE1-NE2 3.15Å; N1160-Q1163 WeakPolarHBondContact O-CA 3.37Å; N1160-Q1163 VanDerWaalsContact O-CB 3.28Å; N1160-Q1163 WeakPolarHBondContact O-CB 3.28Å; N1160-Q1163 PolarHBondContact O-N 2.97Å
1164E85Confident87.7Confident51 Ų5138.7 Ų38.724%0.23821%0.213CC..Hα-helixtrans-71.1-40.1178.5-61.5177.9-148.700112.6K247 P373 L376 N1160K247-E1164 VanDerWaalsContact CE-O 3.31Å; K247-E1164 WeakPolarHBondContact CE-O 3.39Å; K247-E1164 PolarHBondContact NZ-O 3.07Å; P373-E1164 HydrophobicContact CB-CB 4.32Å; P373-E1164 HydrophobicContact CB-CG 3.54Å; P373-E1164 WeakPolarHBondContact O-CA 3.41Å; L376-E1164 VanDerWaalsContact CD1-O 3.27Å; L376-E1164 WeakPolarHBondContact CD1-O 3.47Å; N1160-E1164 WeakPolarHBondContact O-CG 3.32Å; N1160-E1164 PolarHBondContact O-N 3Å
1165M87.7Confident87.7Confident12 Ų1238.2 Ų38.26%0.05920%0.199CC..  trans-131150.2-168.4-52.4180-159.100112R356 W1141 L1161 T1162 E1169 K1171 F1172R356-M1165 VanDerWaalsContact NH1-C 3.26Å; R356-M1165 PolarHBondContact NH1-O 3.31Å; W1141-M1165 PolarHBondContact NE1-O 2.76Å; L1161-M1165 HydrophobicContact CD2-CE 4.44Å; L1161-M1165 WeakPolarHBondContact O-CB 3.47Å; L1161-M1165 PolarHBondContact O-N 3.15Å; T1162-M1165 CarbonylContact C-O 3.56Å; M1165-E1169 HydrophobicContact CB-CB 4.42Å; M1165-E1169 WeakPolarHBondContact CB-OE2 3.13Å; M1165-K1171 HydrophobicContact CE-CD 4.09Å; M1165-K1171 HydrophobicContact CE-CG 3.91Å; M1165-K1171 VanDerWaalsContact SD-C 3.51Å; M1165-K1171 HydrophobicContact SD-CB 3.86Å; M1165-K1171 HydrophobicContact SD-CD 4.3Å; M1165-K1171 HydrophobicContact SD-CG 3.85Å; M1165-F1172 HydrophobicContact CB-CB 3.95Å; M1165-F1172 HydrophobicContact CB-CD2 4.4Å; M1165-F1172 WeakPolarHBondContact SD-CA 3.37Å; M1165-F1172 HydrophobicContact SD-CB 3.89Å; M1165-F1172 PolarHBondContact SD-N 3.09Å
1166T89Confident87.7Confident9 Ų935.2 Ų35.26%0.05518%0.184CC..  trans-89.6170.9173.660.50000111.4E312 L355 G1168 E1169E312-T1166 WeakPolarHBondContact CG-OG1 3.26Å; E312-T1166 PolarHBondContact OE2-OG1 3.2Å; L355-T1166 HydrophobicContact CB-CG2 4.31Å; T1166-G1168 PolarHBondContact O-N 2.72Å; T1166-E1169 WeakPolarHBondContact CB-OE1 3.31Å; T1166-E1169 WeakPolarHBondContact CG2-OE1 3.3Å; T1166-E1169 PolarHBondContact N-OE1 2.78Å; T1166-E1169 PolarHBondContact O-N 3.05Å; T1166-E1169 WeakPolarHBondContact OG1-CG 3.45Å; T1166-E1169 PolarHBondContact OG1-OE1 2.97Å
1167T87.8Confident87.7Confident45 Ų4531.8 Ų31.828%0.27616%0.164SC..THydrogen-bonded Turntrans-71.3-25.8-168.8-172.90000115.1S1138S1138-T1167 WeakPolarHBondContact CA-OG1 3.45Å; S1138-T1167 WeakPolarHBondContact CB-OG1 3.5Å
1168G83.8Confident87.4Confident38 Ų3833.4 Ų33.439%0.39218%0.175SC..THydrogen-bonded Turntrans-100.23.6178.400000114.1E312 T1166 Y1170E312-G1168 WeakPolarHBondContact OE2-CA 3.49Å; E312-G1168 PolarHBondContact OE2-N 3.07Å; T1166-G1168 PolarHBondContact O-N 2.72Å; G1168-Y1170 PolarHBondContact O-N 2.93Å
1169E85Confident87.5Confident5 Ų530.8 Ų30.82%0.02316%0.164CC..  trans-68.9124.1177.7-93.6169.4-11200111.9K247 S310 E312 M1165 T1166 K1171 F1172 A1173K247-E1169 WeakPolarHBondContact CE-OE2 3.48Å; K247-E1169 IonicContact NZ-OE1 3.27Å; K247-E1169 PolarHBondContact NZ-OE1 2.81Å; K247-E1169 IonicContact NZ-OE2 2.71Å; K247-E1169 PolarHBondContact NZ-OE2 2.72Å; S310-E1169 VanDerWaalsContact O-CG 3.31Å; S310-E1169 WeakPolarHBondContact O-CG 3.48Å; E312-E1169 HydrophobicContact CB-CG 4.35Å; M1165-E1169 HydrophobicContact CB-CB 4.42Å; M1165-E1169 WeakPolarHBondContact CB-OE2 3.13Å; T1166-E1169 WeakPolarHBondContact CB-OE1 3.31Å; T1166-E1169 WeakPolarHBondContact CG2-OE1 3.3Å; T1166-E1169 PolarHBondContact N-OE1 2.78Å; T1166-E1169 PolarHBondContact O-N 3.05Å; T1166-E1169 WeakPolarHBondContact OG1-CG 3.45Å; T1166-E1169 PolarHBondContact OG1-OE1 2.97Å; E1169-K1171 PolarHBondContact O-N 3Å; E1169-F1172 HydrophobicContact CB-CB 4.42Å; E1169-F1172 WeakPolarHBondContact O-CB 3.29Å; E1169-F1172 PolarHBondContact O-N 3.01Å; E1169-A1173 PolarHBondContact O-N 2.89Å
1170Y81.8Confident87.5Confident27 Ų2725.3 Ų25.311%0.10614%0.144CC..Hα-helixtrans-64.8-27.2176.6-152.6-94.2000111.4R306 Y309 Q895 M989 G1168 F1172 A1173 L1174R306-Y1170 VanDerWaalsContact NH1-CD2 3.3Å; Y309-Y1170 AromaticContact CD1-CD1 3.57Å; Y309-Y1170 HydrophobicContact CD1-CD1 3.57Å; Y309-Y1170 HydrophobicContact CD1-CE1 4.37Å; Y309-Y1170 HydrophobicContact CD1-CG 4.22Å; Y309-Y1170 AromaticContact CE1-CD1 3.47Å; Y309-Y1170 HydrophobicContact CE1-CD1 3.47Å; Y309-Y1170 VanDerWaalsContact CE1-CD1 3.47Å; Y309-Y1170 AromaticContact CE1-CE1 3.81Å; Y309-Y1170 HydrophobicContact CE1-CE1 3.81Å; Y309-Y1170 HydrophobicContact CE1-CG 4.4Å; Y309-Y1170 PolarHBondContact O-N 2.9Å; Q895-Y1170 HydrophobicContact CB-CE1 4.45Å; Q895-Y1170 HydrophobicContact CB-CE2 4.38Å; Q895-Y1170 PolarHBondContact O-OH 3.08Å; M989-Y1170 HydrophobicContact CE-CD1 3.85Å; M989-Y1170 HydrophobicContact CE-CD2 3.65Å; M989-Y1170 HydrophobicContact CE-CE1 3.56Å; M989-Y1170 HydrophobicContact CE-CE2 3.31Å; M989-Y1170 HydrophobicContact CE-CG 3.92Å; M989-Y1170 HydrophobicContact SD-CD2 4.34Å; M989-Y1170 HydrophobicContact SD-CE1 4.43Å; M989-Y1170 HydrophobicContact SD-CE2 3.53Å; M989-Y1170 VanDerWaalsContact SD-CE2 3.53Å; M989-Y1170 VanDerWaalsContact SD-CZ 3.6Å; G1168-Y1170 PolarHBondContact O-N 2.93Å; Y1170-F1172 VanDerWaalsContact C-N 3.31Å; Y1170-F1172 PolarHBondContact O-N 3.49Å; Y1170-A1173 PolarHBondContact O-N 3.36Å; Y1170-L1174 HydrophobicContact CD1-CD1 3.59Å; Y1170-L1174 HydrophobicContact CD1-CD2 4.37Å; Y1170-L1174 HydrophobicContact CD1-CG 3.71Å; Y1170-L1174 HydrophobicContact CE1-CD1 3.93Å; Y1170-L1174 HydrophobicContact CE1-CD2 4.03Å; Y1170-L1174 HydrophobicContact CE1-CG 3.89Å; Y1170-L1174 WeakPolarHBondContact O-CB 3.45Å; Y1170-L1174 VanDerWaalsContact O-CG 3.27Å; Y1170-L1174 WeakPolarHBondContact O-CG 3.12Å; Y1170-L1174 PolarHBondContact O-N 3.43Å
1171K82.7Confident87.4Confident63 Ų6322.7 Ų22.727%0.27413%0.13SC..Hα-helixtrans-56.8-40169.9-158.4177.1-173.1176.40111.7D246 Y309 M1165 E1169 T1175D246-K1171 IonicContact OD2-NZ 3.24Å; D246-K1171 PolarHBondContact OD2-NZ 3.44Å; Y309-K1171 PolarHBondContact O-N 2.91Å; Y309-K1171 VanDerWaalsContact O-N 3.07Å; M1165-K1171 HydrophobicContact CE-CD 4.09Å; M1165-K1171 HydrophobicContact CE-CG 3.91Å; M1165-K1171 VanDerWaalsContact SD-C 3.51Å; M1165-K1171 HydrophobicContact SD-CB 3.86Å; M1165-K1171 HydrophobicContact SD-CD 4.3Å; M1165-K1171 HydrophobicContact SD-CG 3.85Å; E1169-K1171 PolarHBondContact O-N 3Å; K1171-T1175 PolarHBondContact O-N 3.06Å; K1171-T1175 PolarHBondContact O-OG1 3.36Å
1172F89Confident87.3Confident1 Ų128 Ų280%0.00415%0.152CC..Hα-helixtrans-69.1-51176.6177.4-93.7000111.6Y1137 I1140 W1141 L1144 L1161 M1165 E1169 Y1170 L1174 T1175 V1176Y1137-F1172 WeakPolarHBondContact O-CE1 3.27Å; I1140-F1172 HydrophobicContact CG2-CZ 4.28Å; W1141-F1172 HydrophobicContact CB-CD1 4.37Å; W1141-F1172 HydrophobicContact CB-CE1 3.77Å; W1141-F1172 HydrophobicContact CB-CE2 4.48Å; W1141-F1172 HydrophobicContact CB-CZ 3.83Å; W1141-F1172 AromaticContact CD1-CD2 3.84Å; W1141-F1172 AromaticContact CD1-CE2 3.77Å; W1141-F1172 AromaticContact CD1-CZ 3.98Å; W1141-F1172 HydrophobicContact CG-CE1 4.45Å; W1141-F1172 HydrophobicContact CG-CZ 4.32Å; L1144-F1172 HydrophobicContact CD1-CE2 3.99Å; L1144-F1172 HydrophobicContact CD1-CZ 3.94Å; L1161-F1172 HydrophobicContact CB-CD2 4.16Å; L1161-F1172 HydrophobicContact CB-CE2 3.96Å; M1165-F1172 HydrophobicContact CB-CB 3.95Å; M1165-F1172 HydrophobicContact CB-CD2 4.4Å; M1165-F1172 WeakPolarHBondContact SD-CA 3.37Å; M1165-F1172 HydrophobicContact SD-CB 3.89Å; M1165-F1172 PolarHBondContact SD-N 3.09Å; E1169-F1172 HydrophobicContact CB-CB 4.42Å; E1169-F1172 WeakPolarHBondContact O-CB 3.29Å; E1169-F1172 PolarHBondContact O-N 3.01Å; Y1170-F1172 VanDerWaalsContact C-N 3.31Å; Y1170-F1172 PolarHBondContact O-N 3.49Å; F1172-L1174 VanDerWaalsContact C-N 3.33Å; F1172-L1174 PolarHBondContact O-N 3.25Å; F1172-T1175 WeakPolarHBondContact O-CA 3.4Å; F1172-T1175 WeakPolarHBondContact O-CB 3.16Å; F1172-T1175 PolarHBondContact O-N 3.36Å; F1172-V1176 HydrophobicContact CD1-CG2 4.25Å; F1172-V1176 HydrophobicContact CE1-CG2 3.67Å; F1172-V1176 HydrophobicContact CE2-CG2 4.31Å; F1172-V1176 HydrophobicContact CZ-CG2 3.71Å; F1172-V1176 PolarHBondContact O-N 2.97Å
1173A87.5Confident87.2Confident9 Ų928.1 Ų28.17%0.07415%0.152CC..Hα-helixtrans-59.7-41.8-179.700000112.3M989 Y1137 E1169 Y1170 T1175 V1176 E1177M989-A1173 HydrophobicContact CE-CB 3.45Å; M989-A1173 VanDerWaalsContact CE-CB 3.45Å; Y1137-A1173 HydrophobicContact CD1-CB 3.62Å; Y1137-A1173 HydrophobicContact CD2-CB 3.83Å; Y1137-A1173 HydrophobicContact CE1-CB 4.08Å; Y1137-A1173 VanDerWaalsContact CE1-O 3.31Å; Y1137-A1173 WeakPolarHBondContact CE1-O 3.19Å; Y1137-A1173 HydrophobicContact CE2-CB 4.28Å; Y1137-A1173 HydrophobicContact CG-CB 3.47Å; Y1137-A1173 VanDerWaalsContact CG-CB 3.47Å; E1169-A1173 PolarHBondContact O-N 2.89Å; Y1170-A1173 PolarHBondContact O-N 3.36Å; A1173-T1175 VanDerWaalsContact C-N 3.26Å; A1173-T1175 PolarHBondContact O-N 3.28Å; A1173-V1176 PolarHBondContact O-N 3.27Å; A1173-E1177 WeakPolarHBondContact O-CB 3.44Å; A1173-E1177 PolarHBondContact O-N 2.96Å
1174L84.9Confident86.9Confident21 Ų2127.8 Ų27.811%0.1116%0.155CC..Hα-helixtrans-63-28.1172.5-75.2175.5000113.8Y309 Q897 M989 Y1170 F1172 S1178Y309-L1174 HydrophobicContact CD1-CD1 4.11Å; Y309-L1174 HydrophobicContact CE1-CD1 4.07Å; Q897-L1174 HydrophobicContact CG-CD2 4.35Å; M989-L1174 HydrophobicContact CB-CD2 4.46Å; M989-L1174 HydrophobicContact CE-CD2 4.31Å; M989-L1174 HydrophobicContact CE-CG 4.27Å; Y1170-L1174 HydrophobicContact CD1-CD1 3.59Å; Y1170-L1174 HydrophobicContact CD1-CD2 4.37Å; Y1170-L1174 HydrophobicContact CD1-CG 3.71Å; Y1170-L1174 HydrophobicContact CE1-CD1 3.93Å; Y1170-L1174 HydrophobicContact CE1-CD2 4.03Å; Y1170-L1174 HydrophobicContact CE1-CG 3.89Å; Y1170-L1174 WeakPolarHBondContact O-CB 3.45Å; Y1170-L1174 VanDerWaalsContact O-CG 3.27Å; Y1170-L1174 WeakPolarHBondContact O-CG 3.12Å; Y1170-L1174 PolarHBondContact O-N 3.43Å; F1172-L1174 VanDerWaalsContact C-N 3.33Å; F1172-L1174 PolarHBondContact O-N 3.25Å; L1174-S1178 WeakPolarHBondContact O-CB 3.49Å; L1174-S1178 PolarHBondContact O-N 3.32Å
1175T88.5Confident86.9Confident46 Ų4625.8 Ų25.828%0.28215%0.146SC..Hα-helixtrans-74.9-46.1178-59.80000110.4L1161 K1171 F1172 A1173 S1178 V1179L1161-T1175 HydrophobicContact CD1-CG2 3.99Å; L1161-T1175 HydrophobicContact CD2-CG2 3.97Å; K1171-T1175 PolarHBondContact O-N 3.06Å; K1171-T1175 PolarHBondContact O-OG1 3.36Å; F1172-T1175 WeakPolarHBondContact O-CA 3.4Å; F1172-T1175 WeakPolarHBondContact O-CB 3.16Å; F1172-T1175 PolarHBondContact O-N 3.36Å; A1173-T1175 VanDerWaalsContact C-N 3.26Å; A1173-T1175 PolarHBondContact O-N 3.28Å; T1175-S1178 PolarHBondContact O-N 3.03Å; T1175-V1179 PolarHBondContact O-N 3.07Å; T1175-V1179 VanDerWaalsContact O-N 3.09Å
1176V91.4Very high86.9Confident0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-59.9-47.6172.6178.60000111F1136 Y1137 I1140 L1157 F1172 A1173 S1178 V1179 L1180 M1196F1136-V1176 HydrophobicContact CE1-CG1 3.86Å; F1136-V1176 HydrophobicContact CZ-CG1 4.44Å; Y1137-V1176 HydrophobicContact CD1-CB 4.03Å; Y1137-V1176 HydrophobicContact CD1-CG1 4.19Å; Y1137-V1176 HydrophobicContact CE1-CB 4.16Å; Y1137-V1176 HydrophobicContact CE1-CG1 4.23Å; I1140-V1176 HydrophobicContact CG2-CG1 4.45Å; I1140-V1176 HydrophobicContact CG2-CG2 4.16Å; L1157-V1176 HydrophobicContact CD1-CG1 4.25Å; L1157-V1176 HydrophobicContact CD1-CG2 4.48Å; L1157-V1176 HydrophobicContact CD2-CG2 4.26Å; F1172-V1176 HydrophobicContact CD1-CG2 4.25Å; F1172-V1176 HydrophobicContact CE1-CG2 3.67Å; F1172-V1176 HydrophobicContact CE2-CG2 4.31Å; F1172-V1176 HydrophobicContact CZ-CG2 3.71Å; F1172-V1176 PolarHBondContact O-N 2.97Å; A1173-V1176 PolarHBondContact O-N 3.27Å; V1176-S1178 VanDerWaalsContact C-N 3.3Å; V1176-S1178 PolarHBondContact O-N 3.34Å; V1176-V1179 PolarHBondContact O-N 3.33Å; V1176-V1179 VanDerWaalsContact O-N 3.14Å; V1176-L1180 HydrophobicContact CG1-CD1 4.37Å; V1176-L1180 PolarHBondContact O-N 3.31Å; V1176-L1180 VanDerWaalsContact O-N 3.09Å; V1176-M1196 HydrophobicContact CG1-CE 4.3Å
1177E89.8Confident86.9Confident3 Ų325.1 Ų25.11%0.01414%0.142CC..Hα-helixtrans-63.7-36.2176.2-156.1-140.555.800111.2M989 R990 N1130 Y1137 A1173 V1179 L1180 N1181M989-E1177 WeakPolarHBondContact CB-OE2 3.36Å; R990-E1177 WeakPolarHBondContact CB-OE1 3.21Å; R990-E1177 WeakPolarHBondContact CB-OE2 3.38Å; R990-E1177 IonicContact CZ-OE1 3.2Å; R990-E1177 PolarHBondContact N-OE2 3.14Å; R990-E1177 IonicContact NE-OE1 3.65Å; R990-E1177 IonicContact NH1-OE1 2.68Å; R990-E1177 IonicContact NH2-OE1 3.1Å; N1130-E1177 PolarHBondContact ND2-OE2 3.48Å; Y1137-E1177 HydrophobicContact CE1-CB 4.38Å; A1173-E1177 WeakPolarHBondContact O-CB 3.44Å; A1173-E1177 PolarHBondContact O-N 2.96Å; E1177-V1179 PolarHBondContact O-N 2.95Å; E1177-L1180 PolarHBondContact O-N 3.48Å; E1177-N1181 WeakPolarHBondContact O-CB 3.37Å; E1177-N1181 VanDerWaalsContact O-CG 3.28Å; E1177-N1181 PolarHBondContact O-N 3.26Å; E1177-N1181 PolarHBondContact O-ND2 2.9Å; E1177-N1181 PolarHBondContact OE1-ND2 3.01Å
1178S87.9Confident87.2Confident36 Ų3623 Ų2325%0.25213%0.129SC..Hα-helixtrans-70.3-16176.4-159.80000114.4L1174 T1175 V1176L1174-S1178 WeakPolarHBondContact O-CB 3.49Å; L1174-S1178 PolarHBondContact O-N 3.32Å; T1175-S1178 PolarHBondContact O-N 3.03Å; V1176-S1178 VanDerWaalsContact C-N 3.3Å; V1176-S1178 PolarHBondContact O-N 3.34Å
1179V91.3Very high87.6Confident17 Ų1721.3 Ų21.310%0.10311%0.111CC..Hα-helixtrans-78.5-52164.81610000110.1V1152 Q1155 L1157 T1175 V1176 E1177 N1181 K1182V1152-V1179 HydrophobicContact CB-CG1 4.06Å; V1152-V1179 HydrophobicContact CG1-CG1 4.42Å; Q1155-V1179 HydrophobicContact CB-CG1 3.85Å; Q1155-V1179 HydrophobicContact CB-CG2 4.28Å; L1157-V1179 HydrophobicContact CD2-CB 4.09Å; L1157-V1179 HydrophobicContact CD2-CG1 4.49Å; L1157-V1179 HydrophobicContact CD2-CG2 3.69Å; L1157-V1179 HydrophobicContact CG-CB 4.41Å; L1157-V1179 HydrophobicContact CG-CG1 4.27Å; L1157-V1179 HydrophobicContact CG-CG2 4.23Å; T1175-V1179 PolarHBondContact O-N 3.07Å; T1175-V1179 VanDerWaalsContact O-N 3.09Å; V1176-V1179 PolarHBondContact O-N 3.33Å; V1176-V1179 VanDerWaalsContact O-N 3.14Å; E1177-V1179 PolarHBondContact O-N 2.95Å; V1179-N1181 PolarHBondContact O-N 3.2Å; V1179-K1182 WeakPolarHBondContact O-CB 3.48Å; V1179-K1182 PolarHBondContact O-N 2.7Å
1180L91.1Very high88Confident5 Ų521.9 Ų21.93%0.02611%0.114CC..Hα-helixtrans-56.9-34.6179.2-68.9169.5000112.9F1136 V1152 V1176 E1177 K1182 I1183 R1189 V1193 M1196F1136-L1180 HydrophobicContact CE1-CD1 4Å; F1136-L1180 HydrophobicContact CZ-CD1 4.05Å; V1152-L1180 HydrophobicContact CG1-CD2 3.89Å; V1176-L1180 HydrophobicContact CG1-CD1 4.37Å; V1176-L1180 PolarHBondContact O-N 3.31Å; V1176-L1180 VanDerWaalsContact O-N 3.09Å; E1177-L1180 PolarHBondContact O-N 3.48Å; L1180-K1182 VanDerWaalsContact C-N 3.25Å; L1180-K1182 PolarHBondContact O-N 2.97Å; L1180-I1183 HydrophobicContact CD2-CD1 4.19Å; L1180-I1183 WeakPolarHBondContact O-CB 3.39Å; L1180-I1183 PolarHBondContact O-N 3.4Å; L1180-R1189 HydrophobicContact CB-CG 4.26Å; L1180-R1189 WeakPolarHBondContact O-CD 3.44Å; L1180-R1189 PolarHBondContact O-NE 2.91Å; L1180-V1193 HydrophobicContact CD1-CG2 3.97Å; L1180-V1193 HydrophobicContact CD2-CG2 4.15Å; L1180-M1196 HydrophobicContact CD2-SD 4.16Å
1181N87.3Confident88.6Confident11 Ų1120.6 Ų20.66%0.05911%0.109CC..THydrogen-bonded Turntrans-65.4-21.8178.8-82.9-60.4000115R990 R992 N1130 E1177 V1179 I1183R990-N1181 PolarHBondContact NH1-ND2 2.84Å; R992-N1181 WeakPolarHBondContact CD-OD1 3.46Å; R992-N1181 VanDerWaalsContact CZ-OD1 3.25Å; R992-N1181 PolarHBondContact NE-OD1 2.91Å; R992-N1181 PolarHBondContact NH1-O 3.26Å; R992-N1181 VanDerWaalsContact NH1-O 3.12Å; R992-N1181 PolarHBondContact NH1-OD1 3.27Å; R992-N1181 PolarHBondContact NH2-O 3.23Å; R992-N1181 VanDerWaalsContact NH2-O 3.1Å; N1130-N1181 PolarHBondContact ND2-OD1 2.95Å; N1130-N1181 PolarHBondContact OD1-OD1 3.31Å; E1177-N1181 WeakPolarHBondContact O-CB 3.37Å; E1177-N1181 VanDerWaalsContact O-CG 3.28Å; E1177-N1181 PolarHBondContact O-N 3.26Å; E1177-N1181 PolarHBondContact O-ND2 2.9Å; E1177-N1181 PolarHBondContact OE1-ND2 3.01Å; V1179-N1181 PolarHBondContact O-N 3.2Å; N1181-I1183 VanDerWaalsContact C-N 3.27Å
1182K86.4Confident89.2Confident133 Ų13317.6 Ų17.658%0.57810%0.095SC*.THydrogen-bonded Turntrans-74.9-16.4177.2-68-178.1178.9-171.40112.9Q1155 V1179 L1180 P1184Q1155-K1182 HydrophobicContact CG-CD 3.87Å; Q1155-K1182 VanDerWaalsContact OE1-CD 3.23Å; V1179-K1182 WeakPolarHBondContact O-CB 3.48Å; V1179-K1182 PolarHBondContact O-N 2.7Å; L1180-K1182 VanDerWaalsContact C-N 3.25Å; L1180-K1182 PolarHBondContact O-N 2.97Å; K1182-P1184 WeakPolarHBondContact O-CD 3.16Å
1183I87.3Confident89.4Confident5 Ų517.8 Ų17.83%0.02610%0.096CC..  trans-73.5120.4171-59.4155.1000107.8V1152 L1180 N1181 Y1188 R1189 L1192V1152-I1183 HydrophobicContact CG1-CD1 4.25Å; L1180-I1183 HydrophobicContact CD2-CD1 4.19Å; L1180-I1183 WeakPolarHBondContact O-CB 3.39Å; L1180-I1183 PolarHBondContact O-N 3.4Å; N1181-I1183 VanDerWaalsContact C-N 3.27Å; I1183-Y1188 HydrophobicContact CG2-CD1 3.83Å; I1183-R1189 HydrophobicContact CB-CB 4.38Å; I1183-R1189 HydrophobicContact CB-CG 4.46Å; I1183-R1189 HydrophobicContact CD1-CB 4.46Å; I1183-R1189 HydrophobicContact CD1-CG 4.17Å; I1183-R1189 HydrophobicContact CG2-CB 4.15Å; I1183-R1189 PolarHBondContact O-NE 3.27Å; I1183-R1189 PolarHBondContact O-NH2 3.33Å; I1183-L1192 HydrophobicContact CD1-CB 4.49Å; I1183-L1192 HydrophobicContact CD1-CD1 3.48Å; I1183-L1192 VanDerWaalsContact CD1-CD1 3.48Å; I1183-L1192 HydrophobicContact CG1-CD1 4.24Å
1184P80.5Confident89.7Confident46 Ų4618.4 Ų18.430%0.29910%0.098SC..  trans-70.9-57.2-177.426.1-31.6000112K1182 P1186 R1189K1182-P1184 WeakPolarHBondContact O-CD 3.16Å; P1184-P1186 WeakPolarHBondContact O-CD 3.14Å; P1184-R1189 PolarHBondContact O-NH2 2.94Å
1185D84.8Confident90.1Very high10 Ų1017.4 Ų17.45%0.0539%0.093CC..  trans-63.4118.5-176.7-57.6-95.7000112.5E1187 Y1188 R1189 A1256 H1257D1185-E1187 PolarHBondContact O-N 2.93Å; D1185-Y1188 PolarHBondContact O-N 2.94Å; D1185-R1189 PolarHBondContact O-N 2.97Å; D1185-R1189 VanDerWaalsContact O-N 3.13Å; D1185-A1256 HydrophobicContact CB-CB 3.82Å; D1185-A1256 WeakPolarHBondContact OD1-CB 3.26Å; D1185-H1257 IonicContact OD2-CE1 3.69Å; D1185-H1257 PolarHBondContact OD2-CE1 3.35Å; D1185-H1257 IonicContact OD2-ND1 2.83Å; D1185-H1257 PolarHBondContact OD2-ND1 3.01Å
1186P87.5Confident90.3Very high1 Ų115.2 Ų15.21%0.0068%0.079CC..Hα-helixtrans-59.4-40.9178.8-2938.9000114.4F1018 R1124 A1128 P1184 Y1188 R1189 Q1190F1018-P1186 HydrophobicContact CD1-CG 4.45Å; F1018-P1186 VanDerWaalsContact CE1-CD 3.45Å; F1018-P1186 HydrophobicContact CE1-CG 3.68Å; F1018-P1186 HydrophobicContact CE2-CG 4.24Å; F1018-P1186 HydrophobicContact CZ-CG 3.57Å; R1124-P1186 WeakPolarHBondContact O-CB 3.41Å; A1128-P1186 HydrophobicContact CB-CB 4.4Å; A1128-P1186 HydrophobicContact CB-CG 4.42Å; P1184-P1186 WeakPolarHBondContact O-CD 3.14Å; P1186-Y1188 VanDerWaalsContact C-N 3.35Å; P1186-Y1188 PolarHBondContact O-N 3.44Å; P1186-R1189 WeakPolarHBondContact O-CB 3.18Å; P1186-R1189 PolarHBondContact O-N 3.33Å; P1186-Q1190 PolarHBondContact O-N 3.49Å
1187E88.9Confident90.3Very high5 Ų515.4 Ų15.42%0.0238%0.08CC..Hα-helixtrans-66.1-34.6-179.756.2-97.7-119.400113.3L1120 R1123 R1124 D1185 Q1190 L1191 A1256 Y1264L1120-E1187 HydrophobicContact CD1-CB 3.92Å; L1120-E1187 HydrophobicContact CD1-CG 4.03Å; R1123-E1187 HydrophobicContact CB-CB 4.23Å; R1124-E1187 HydrophobicContact CG-CB 4.11Å; R1124-E1187 WeakPolarHBondContact CG-OE2 3.39Å; R1124-E1187 IonicContact CZ-OE1 3.66Å; R1124-E1187 IonicContact NE-OE1 3.85Å; R1124-E1187 PolarHBondContact NE-OE1 3.32Å; R1124-E1187 IonicContact NE-OE2 3.16Å; R1124-E1187 PolarHBondContact NE-OE2 3.39Å; R1124-E1187 IonicContact NH2-OE1 2.73Å; R1124-E1187 PolarHBondContact NH2-OE1 3.4Å; D1185-E1187 PolarHBondContact O-N 2.93Å; E1187-Q1190 PolarHBondContact O-N 3.45Å; E1187-L1191 PolarHBondContact O-N 2.85Å; E1187-A1256 HydrophobicContact CG-CB 4.37Å; E1187-Y1264 HydrophobicContact CB-CD1 3.76Å; E1187-Y1264 HydrophobicContact CB-CE1 3.88Å; E1187-Y1264 HydrophobicContact CG-CD1 3.88Å; E1187-Y1264 HydrophobicContact CG-CE1 3.68Å; E1187-Y1264 HydrophobicContact CG-CG 4.45Å
1188Y93.4Very high90.2Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-74.9-34.6176.8-170.9-115.2000111.5I1183 D1185 P1186 Q1190 L1191 L1192 D1219 V1222 H1257 I1259 Y1264I1183-Y1188 HydrophobicContact CG2-CD1 3.83Å; D1185-Y1188 PolarHBondContact O-N 2.94Å; P1186-Y1188 VanDerWaalsContact C-N 3.35Å; P1186-Y1188 PolarHBondContact O-N 3.44Å; Y1188-Q1190 VanDerWaalsContact C-N 3.25Å; Y1188-Q1190 PolarHBondContact O-N 2.98Å; Y1188-L1191 PolarHBondContact O-N 3.32Å; Y1188-L1192 HydrophobicContact CD1-CD1 3.82Å; Y1188-L1192 HydrophobicContact CE1-CD1 3.44Å; Y1188-L1192 VanDerWaalsContact CE1-CD1 3.44Å; Y1188-L1192 HydrophobicContact CE1-CG 4.2Å; Y1188-L1192 PolarHBondContact O-N 3.49Å; Y1188-D1219 WeakPolarHBondContact CE1-OD1 3.47Å; Y1188-D1219 WeakPolarHBondContact OH-CB 3.19Å; Y1188-D1219 VanDerWaalsContact OH-CG 3.31Å; Y1188-D1219 PolarHBondContact OH-OD1 3.34Å; Y1188-V1222 HydrophobicContact CE2-CG1 3.98Å; Y1188-H1257 HydrophobicContact CD1-CB 4.23Å; Y1188-H1257 AromaticContact CD1-CD2 3.68Å; Y1188-H1257 AromaticContact CD1-CE1 3.48Å; Y1188-H1257 VanDerWaalsContact CD1-CE1 3.48Å; Y1188-H1257 WeakPolarHBondContact CD1-CE1 3.29Å; Y1188-H1257 AromaticContact CD1-CG 3.49Å; Y1188-H1257 VanDerWaalsContact CD1-CG 3.49Å; Y1188-H1257 AromaticContact CD1-ND1 3.36Å; Y1188-H1257 WeakPolarHBondContact CD1-ND1 3.36Å; Y1188-H1257 AromaticContact CD1-NE2 3.69Å; Y1188-H1257 HydrophobicContact CD2-CB 3.82Å; Y1188-H1257 AromaticContact CD2-CG 3.97Å; Y1188-H1257 HydrophobicContact CE1-CB 4.15Å; Y1188-H1257 AromaticContact CE1-CD2 3.43Å; Y1188-H1257 VanDerWaalsContact CE1-CD2 3.43Å; Y1188-H1257 WeakPolarHBondContact CE1-CD2 3.23Å; Y1188-H1257 AromaticContact CE1-CG 3.57Å; Y1188-H1257 AromaticContact CE1-ND1 3.93Å; Y1188-H1257 AromaticContact CE1-NE2 3.76Å; Y1188-H1257 HydrophobicContact CE2-CB 3.71Å; Y1188-H1257 HydrophobicContact CG-CB 4.08Å; Y1188-H1257 AromaticContact CG-CG 3.7Å; Y1188-H1257 AromaticContact CG-ND1 3.47Å; Y1188-H1257 AromaticContact CZ-CD2 3.92Å; Y1188-H1257 AromaticContact CZ-CG 3.85Å; Y1188-I1259 HydrophobicContact CD2-CG1 4.45Å; Y1188-I1259 HydrophobicContact CE2-CG1 4.23Å; Y1188-Y1264 WeakPolarHBondContact CD2-OH 3.33Å
1189R92.9Very high90.3Very high4 Ų413.6 Ų13.62%0.0157%0.068CC..Hα-helixtrans-56.1-40170.9-163.4-176.1-55.8139.514.9111.5G1127 N1130 L1180 I1183 P1184 D1185 P1186 L1192 V1193G1127-R1189 PolarHBondContact O-NH1 2.91Å; N1130-R1189 PolarHBondContact OD1-NH1 3.1Å; L1180-R1189 HydrophobicContact CB-CG 4.26Å; L1180-R1189 WeakPolarHBondContact O-CD 3.44Å; L1180-R1189 PolarHBondContact O-NE 2.91Å; I1183-R1189 HydrophobicContact CB-CB 4.38Å; I1183-R1189 HydrophobicContact CB-CG 4.46Å; I1183-R1189 HydrophobicContact CD1-CB 4.46Å; I1183-R1189 HydrophobicContact CD1-CG 4.17Å; I1183-R1189 HydrophobicContact CG2-CB 4.15Å; I1183-R1189 PolarHBondContact O-NE 3.27Å; I1183-R1189 PolarHBondContact O-NH2 3.33Å; P1184-R1189 PolarHBondContact O-NH2 2.94Å; D1185-R1189 PolarHBondContact O-N 2.97Å; D1185-R1189 VanDerWaalsContact O-N 3.13Å; P1186-R1189 WeakPolarHBondContact O-CB 3.18Å; P1186-R1189 PolarHBondContact O-N 3.33Å; R1189-L1192 PolarHBondContact O-N 2.66Å; R1189-V1193 WeakPolarHBondContact O-CG2 3.14Å; R1189-V1193 PolarHBondContact O-N 3.01Å
1190Q92.6Very high90.1Very high17 Ų1712.9 Ų12.98%0.0796%0.064CC..Hα-helixtrans-73.9-38.6176.5-76-63.6-16.600114.1R1123 D1126 R1131 P1186 E1187 Y1188 L1192 V1193 E1194R1123-Q1190 HydrophobicContact CB-CB 4.07Å; R1123-Q1190 HydrophobicContact CG-CB 4.07Å; R1123-Q1190 WeakPolarHBondContact O-CG 3.18Å; D1126-Q1190 HydrophobicContact CB-CG 4.35Å; D1126-Q1190 PolarHBondContact O-NE2 3.07Å; R1131-Q1190 PolarHBondContact O-NE2 3.42Å; P1186-Q1190 PolarHBondContact O-N 3.49Å; E1187-Q1190 PolarHBondContact O-N 3.45Å; Y1188-Q1190 VanDerWaalsContact C-N 3.25Å; Y1188-Q1190 PolarHBondContact O-N 2.98Å; Q1190-L1192 PolarHBondContact O-N 3.29Å; Q1190-V1193 PolarHBondContact O-N 3.01Å; Q1190-V1193 VanDerWaalsContact O-N 3.11Å; Q1190-E1194 WeakPolarHBondContact O-CG 3.46Å; Q1190-E1194 PolarHBondContact O-N 2.98Å
1191L94.1Very high89.8Confident0 Ų013.2 Ų13.20%07%0.065CC..Hα-helixtrans-60.7-32.6171.6-69.6-172.6000112.2E1187 Y1188 V1195 V1222 I1259 F1263 Y1264 T1274 M1278E1187-L1191 PolarHBondContact O-N 2.85Å; Y1188-L1191 PolarHBondContact O-N 3.32Å; L1191-V1195 PolarHBondContact O-N 3.33Å; L1191-V1222 HydrophobicContact CB-CG1 4.1Å; L1191-V1222 HydrophobicContact CB-CG2 4.47Å; L1191-V1222 HydrophobicContact CD1-CG1 3.93Å; L1191-I1259 HydrophobicContact CD1-CG2 4.01Å; L1191-F1263 HydrophobicContact CD1-CD1 4.07Å; L1191-F1263 HydrophobicContact CD1-CE1 4.19Å; L1191-Y1264 HydrophobicContact CD1-CD1 3.51Å; L1191-Y1264 HydrophobicContact CD1-CE1 3.32Å; L1191-Y1264 HydrophobicContact CD1-CG 4.34Å; L1191-Y1264 HydrophobicContact CG-CD1 3.91Å; L1191-Y1264 HydrophobicContact CG-CE1 3.86Å; L1191-T1274 HydrophobicContact CD2-CG2 4.15Å; L1191-M1278 HydrophobicContact CB-CE 4.07Å; L1191-M1278 HydrophobicContact CD2-CE 3.83Å; L1191-M1278 HydrophobicContact CG-CE 4.47Å; L1191-M1278 WeakPolarHBondContact O-CE 3.28Å
1192L95.2Very high89.4Confident0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-73.4-33.7173.6-73.8170.8000112.9V1152 I1183 Y1188 R1189 Q1190 V1195 M1196 A1218 V1222V1152-L1192 HydrophobicContact CG1-CB 4.23Å; V1152-L1192 HydrophobicContact CG1-CD1 4.15Å; I1183-L1192 HydrophobicContact CD1-CB 4.49Å; I1183-L1192 HydrophobicContact CD1-CD1 3.48Å; I1183-L1192 VanDerWaalsContact CD1-CD1 3.48Å; I1183-L1192 HydrophobicContact CG1-CD1 4.24Å; Y1188-L1192 HydrophobicContact CD1-CD1 3.82Å; Y1188-L1192 HydrophobicContact CE1-CD1 3.44Å; Y1188-L1192 VanDerWaalsContact CE1-CD1 3.44Å; Y1188-L1192 HydrophobicContact CE1-CG 4.2Å; Y1188-L1192 PolarHBondContact O-N 3.49Å; R1189-L1192 PolarHBondContact O-N 2.66Å; Q1190-L1192 PolarHBondContact O-N 3.29Å; L1192-V1195 HydrophobicContact CD2-CG1 4.11Å; L1192-M1196 VanDerWaalsContact O-CB 3.32Å; L1192-M1196 WeakPolarHBondContact O-CB 3.36Å; L1192-M1196 WeakPolarHBondContact O-CG 3.38Å; L1192-M1196 PolarHBondContact O-N 3Å; L1192-A1218 HydrophobicContact CD2-CB 3.62Å; L1192-V1222 HydrophobicContact CD2-CG2 3.97Å
1193V94Very high89Confident4 Ų47.5 Ų7.52%0.0244%0.043CC..Hα-helixtrans-64.8-42.1169.6168.80000111.3V1132 P1133 F1136 L1180 R1189 Q1190 M1197V1132-V1193 HydrophobicContact CG1-CG1 4.31Å; V1132-V1193 HydrophobicContact CG1-CG2 4.25Å; P1133-V1193 HydrophobicContact CG-CG1 4.33Å; F1136-V1193 HydrophobicContact CD2-CG1 4.22Å; F1136-V1193 HydrophobicContact CE2-CB 4.46Å; F1136-V1193 HydrophobicContact CE2-CG1 3.9Å; F1136-V1193 HydrophobicContact CZ-CG1 4.47Å; F1136-V1193 HydrophobicContact CZ-CG2 4.34Å; L1180-V1193 HydrophobicContact CD1-CG2 3.97Å; L1180-V1193 HydrophobicContact CD2-CG2 4.15Å; R1189-V1193 WeakPolarHBondContact O-CG2 3.14Å; R1189-V1193 PolarHBondContact O-N 3.01Å; Q1190-V1193 PolarHBondContact O-N 3.01Å; Q1190-V1193 VanDerWaalsContact O-N 3.11Å; V1193-M1197 WeakPolarHBondContact O-CG 3.41Å; V1193-M1197 PolarHBondContact O-N 3.41Å
1194E93.2Very high88.6Confident22 Ų2211 Ų1110%0.1036%0.059CC..Hα-helixtrans-60-49.6174.1-73.9172.7-146.900111.6R1123 Q1190 M1196 M1197 V1198 T1274 M1278R1123-E1194 IonicContact CZ-OE1 3.87Å; R1123-E1194 VanDerWaalsContact CZ-OE1 3.25Å; R1123-E1194 IonicContact CZ-OE2 2.88Å; R1123-E1194 IonicContact NE-OE1 2.8Å; R1123-E1194 PolarHBondContact NE-OE1 2.89Å; R1123-E1194 IonicContact NE-OE2 3.04Å; R1123-E1194 VanDerWaalsContact NH2-CD 3.33Å; R1123-E1194 IonicContact NH2-OE1 3.51Å; R1123-E1194 PolarHBondContact NH2-OE1 2.95Å; R1123-E1194 IonicContact NH2-OE2 2.72Å; R1123-E1194 PolarHBondContact NH2-OE2 3.15Å; Q1190-E1194 WeakPolarHBondContact O-CG 3.46Å; Q1190-E1194 PolarHBondContact O-N 2.98Å; E1194-M1196 PolarHBondContact O-N 3.16Å; E1194-M1197 WeakPolarHBondContact O-CB 3.24Å; E1194-M1197 PolarHBondContact O-N 2.71Å; E1194-M1197 VanDerWaalsContact O-N 3.15Å; E1194-V1198 PolarHBondContact O-N 3.23Å; E1194-T1274 WeakPolarHBondContact OE2-CB 3.35Å; E1194-T1274 PolarHBondContact OE2-OG1 3.44Å; E1194-M1278 HydrophobicContact CB-CE 3.9Å; E1194-M1278 HydrophobicContact CB-SD 3.81Å
1195V93.8Very high88.2Confident0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-68.2-34.7-178.390.80000112.4L1191 L1192 M1197 V1198 L1199 A1218 I1221 V1222 M1278L1191-V1195 PolarHBondContact O-N 3.33Å; L1192-V1195 HydrophobicContact CD2-CG1 4.11Å; V1195-M1197 VanDerWaalsContact C-N 3.33Å; V1195-V1198 PolarHBondContact O-N 2.88Å; V1195-L1199 WeakPolarHBondContact O-CG 3.37Å; V1195-L1199 PolarHBondContact O-N 3.05Å; V1195-A1218 HydrophobicContact CG1-CB 3.64Å; V1195-I1221 HydrophobicContact CG2-CB 3.78Å; V1195-I1221 HydrophobicContact CG2-CG2 3.31Å; V1195-V1222 HydrophobicContact CB-CG2 3.93Å; V1195-V1222 HydrophobicContact CG1-CG2 3.9Å; V1195-V1222 HydrophobicContact CG2-CG2 4.22Å; V1195-M1278 HydrophobicContact CB-CE 4.37Å; V1195-M1278 HydrophobicContact CB-CG 4.29Å; V1195-M1278 HydrophobicContact CB-SD 3.71Å; V1195-M1278 HydrophobicContact CG2-CB 4.1Å; V1195-M1278 HydrophobicContact CG2-CG 3.87Å; V1195-M1278 HydrophobicContact CG2-SD 3.95Å; V1195-M1278 PolarHBondContact N-SD 3.24Å
1196M93Very high87.3Confident0 Ų013.5 Ų13.50%07%0.072CC..Hα-helixtrans-64.3-38.7172.6-74.3173.87200111.2F1136 I1140 V1152 L1157 V1176 L1180 L1192 E1194 L1199 T1200F1136-M1196 HydrophobicContact CE2-CB 4.15Å; F1136-M1196 HydrophobicContact CZ-CE 3.95Å; F1136-M1196 HydrophobicContact CZ-SD 4.29Å; I1140-M1196 HydrophobicContact CD1-CB 3.88Å; I1140-M1196 HydrophobicContact CD1-CE 3.68Å; I1140-M1196 HydrophobicContact CG1-CE 3.92Å; I1140-M1196 HydrophobicContact CG2-CE 4.1Å; V1152-M1196 HydrophobicContact CB-SD 4.46Å; V1152-M1196 HydrophobicContact CG1-SD 3.91Å; V1152-M1196 HydrophobicContact CG2-CE 4.22Å; V1152-M1196 HydrophobicContact CG2-CG 4.32Å; V1152-M1196 HydrophobicContact CG2-SD 3.67Å; L1157-M1196 HydrophobicContact CD1-CE 3.84Å; V1176-M1196 HydrophobicContact CG1-CE 4.3Å; L1180-M1196 HydrophobicContact CD2-SD 4.16Å; L1192-M1196 VanDerWaalsContact O-CB 3.32Å; L1192-M1196 WeakPolarHBondContact O-CB 3.36Å; L1192-M1196 WeakPolarHBondContact O-CG 3.38Å; L1192-M1196 PolarHBondContact O-N 3Å; E1194-M1196 PolarHBondContact O-N 3.16Å; M1196-L1199 PolarHBondContact O-N 3.37Å; M1196-T1200 WeakPolarHBondContact O-CG2 3.37Å; M1196-T1200 PolarHBondContact O-N 3.21Å; M1196-T1200 VanDerWaalsContact O-N 3.11Å
1197M91Very high85.6Confident4 Ų419.5 Ų19.52%0.0211%0.108CC..Hα-helixtrans-64.8-40.2172.5-76.9-65.6-68.500112.4I1086 P1133 F1136 V1193 E1194 V1195 L1199 T1200 L1201I1086-M1197 HydrophobicContact CD1-CB 4.03Å; I1086-M1197 HydrophobicContact CD1-CE 3.84Å; I1086-M1197 HydrophobicContact CD1-CG 4.13Å; I1086-M1197 HydrophobicContact CG2-CE 4.2Å; P1133-M1197 HydrophobicContact CB-CE 4.27Å; P1133-M1197 HydrophobicContact CG-CG 4.14Å; F1136-M1197 HydrophobicContact CB-SD 4.45Å; F1136-M1197 HydrophobicContact CD2-CG 3.89Å; F1136-M1197 HydrophobicContact CD2-SD 3.74Å; F1136-M1197 HydrophobicContact CE2-CG 4.33Å; V1193-M1197 WeakPolarHBondContact O-CG 3.41Å; V1193-M1197 PolarHBondContact O-N 3.41Å; E1194-M1197 WeakPolarHBondContact O-CB 3.24Å; E1194-M1197 PolarHBondContact O-N 2.71Å; E1194-M1197 VanDerWaalsContact O-N 3.15Å; V1195-M1197 VanDerWaalsContact C-N 3.33Å; M1197-L1199 VanDerWaalsContact C-N 3.35Å; M1197-L1199 PolarHBondContact O-N 2.73Å; M1197-T1200 PolarHBondContact O-N 2.77Å; M1197-T1200 VanDerWaalsContact O-N 3.13Å; M1197-T1200 PolarHBondContact O-OG1 2.71Å; M1197-L1201 WeakPolarHBondContact O-CG 3.4Å; M1197-L1201 PolarHBondContact O-N 2.76Å
1198V89.1Confident83.8Confident2 Ų227 Ų271%0.01215%0.148CC..Hα-helixtrans-57.8-46.4173.4171.70000111.4E1194 V1195 T1200 L1201 V1202 I1275 M1278 C1279 V1282E1194-V1198 PolarHBondContact O-N 3.23Å; V1195-V1198 PolarHBondContact O-N 2.88Å; V1198-T1200 VanDerWaalsContact C-N 3.28Å; V1198-T1200 PolarHBondContact O-N 3.14Å; V1198-L1201 PolarHBondContact O-N 3.09Å; V1198-L1201 VanDerWaalsContact O-N 3.11Å; V1198-V1202 HydrophobicContact CG1-CG2 4.44Å; V1198-V1202 WeakPolarHBondContact O-CG2 3.31Å; V1198-V1202 PolarHBondContact O-N 3.31Å; V1198-I1275 HydrophobicContact CG2-CB 4.36Å; V1198-I1275 HydrophobicContact CG2-CG1 4.27Å; V1198-I1275 HydrophobicContact CG2-CG2 3.83Å; V1198-M1278 HydrophobicContact CG2-CB 4.12Å; V1198-C1279 VanDerWaalsContact CG1-SG 3.55Å; V1198-V1282 HydrophobicContact CG1-CG2 4.23Å
1199L88.8Confident81.9Confident0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-59.1-37.8175.6-70171.9000112.4L1143 V1150 V1195 M1196 M1197 S1203 L1211 V1216 I1221 V1282L1143-L1199 HydrophobicContact CD1-CB 4.2Å; L1143-L1199 HydrophobicContact CD2-CB 3.72Å; V1150-L1199 HydrophobicContact CG1-CD1 4.37Å; V1195-L1199 WeakPolarHBondContact O-CG 3.37Å; V1195-L1199 PolarHBondContact O-N 3.05Å; M1196-L1199 PolarHBondContact O-N 3.37Å; M1197-L1199 VanDerWaalsContact C-N 3.35Å; M1197-L1199 PolarHBondContact O-N 2.73Å; L1199-S1203 WeakPolarHBondContact O-CB 3.25Å; L1199-S1203 PolarHBondContact O-N 2.91Å; L1199-L1211 HydrophobicContact CD2-CD1 4.5Å; L1199-V1216 HydrophobicContact CD1-CG1 3.75Å; L1199-V1216 HydrophobicContact CD2-CG1 3.9Å; L1199-I1221 HydrophobicContact CD1-CD1 4.15Å; L1199-I1221 HydrophobicContact CD2-CD1 4Å; L1199-I1221 HydrophobicContact CG-CD1 4.37Å; L1199-V1282 HydrophobicContact CD2-CG2 4.05Å
1200T87.9Confident80.1Confident2 Ų231.5 Ų31.51%0.01218%0.177CC..Hα-helixtrans-67.6-36.8175.170.10000112.8R1139 I1140 L1143 M1196 M1197 V1198 S1203 E1204R1139-T1200 HydrophobicContact CB-CG2 3.61Å; I1140-T1200 HydrophobicContact CD1-CG2 3.75Å; L1143-T1200 HydrophobicContact CB-CG2 4.12Å; L1143-T1200 HydrophobicContact CD2-CG2 4.04Å; M1196-T1200 WeakPolarHBondContact O-CG2 3.37Å; M1196-T1200 PolarHBondContact O-N 3.21Å; M1196-T1200 VanDerWaalsContact O-N 3.11Å; M1197-T1200 PolarHBondContact O-N 2.77Å; M1197-T1200 VanDerWaalsContact O-N 3.13Å; M1197-T1200 PolarHBondContact O-OG1 2.71Å; V1198-T1200 VanDerWaalsContact C-N 3.28Å; V1198-T1200 PolarHBondContact O-N 3.14Å; T1200-S1203 PolarHBondContact O-N 3.31Å; T1200-E1204 WeakPolarHBondContact O-CB 3.24Å; T1200-E1204 WeakPolarHBondContact O-CG 3.39Å; T1200-E1204 PolarHBondContact O-N 2.96Å
1201L83.4Confident78.7Confident11 Ų1131.2 Ų31.26%0.05818%0.177CC..Hα-helixtrans-68.5-44.9178.7-69.6170.1000111.1I1086 M1197 V1198 S1203 E1204 T1205I1086-L1201 HydrophobicContact CG2-CD1 4.46Å; M1197-L1201 WeakPolarHBondContact O-CG 3.4Å; M1197-L1201 PolarHBondContact O-N 2.76Å; V1198-L1201 PolarHBondContact O-N 3.09Å; V1198-L1201 VanDerWaalsContact O-N 3.11Å; L1201-S1203 VanDerWaalsContact C-N 3.32Å; L1201-S1203 PolarHBondContact O-N 3.06Å; L1201-E1204 PolarHBondContact O-N 3.38Å; L1201-E1204 VanDerWaalsContact O-N 3.12Å; L1201-T1205 PolarHBondContact O-N 3Å; L1201-T1205 PolarHBondContact O-OG1 3.17Å
1202V79.1Confident76.8Confident3 Ų332.1 Ų32.12%0.01819%0.185CC..Hα-helixtrans-60.1-42.5175174.50000111.2V1198 E1204 T1205 H1206 L1289 I1293V1198-V1202 HydrophobicContact CG1-CG2 4.44Å; V1198-V1202 WeakPolarHBondContact O-CG2 3.31Å; V1198-V1202 PolarHBondContact O-N 3.31Å; V1202-E1204 VanDerWaalsContact C-N 3.33Å; V1202-E1204 PolarHBondContact O-N 2.91Å; V1202-T1205 PolarHBondContact O-N 3.23Å; V1202-T1205 PolarHBondContact O-OG1 3.33Å; V1202-H1206 PolarHBondContact O-N 2.89Å; V1202-H1206 VanDerWaalsContact O-N 3.09Å; V1202-L1289 HydrophobicContact CG1-CD1 3.91Å; V1202-L1289 HydrophobicContact CG1-CD2 4.16Å; V1202-I1293 HydrophobicContact CG1-CD1 4.2Å; V1202-I1293 HydrophobicContact CG2-CD1 4.21Å
1203S78.9Confident75Confident22 Ų2239.3 Ų39.315%0.15423%0.23CC..Hα-helixtrans-71.5-22.3176.1-1730000114T1146 L1199 T1200 L1201T1146-S1203 PolarHBondContact OG1-OG 3.32Å; T1146-S1203 VanDerWaalsContact OG1-OG 3.04Å; L1199-S1203 WeakPolarHBondContact O-CB 3.25Å; L1199-S1203 PolarHBondContact O-N 2.91Å; T1200-S1203 PolarHBondContact O-N 3.31Å; L1201-S1203 VanDerWaalsContact C-N 3.32Å; L1201-S1203 PolarHBondContact O-N 3.06Å
1204E78.8Confident74.1Confident77 Ų7740.2 Ų40.236%0.3624%0.24SC..Hα-helixtrans-85.4-26174.9-79.6-179.6178.500112.3R1139 R1142 T1200 L1201 V1202R1139-E1204 IonicContact CZ-OE1 2.75Å; R1139-E1204 IonicContact CZ-OE2 2.8Å; R1139-E1204 VanDerWaalsContact NH1-CD 3.28Å; R1139-E1204 IonicContact NH1-OE1 3.58Å; R1139-E1204 PolarHBondContact NH1-OE1 2.82Å; R1139-E1204 IonicContact NH1-OE2 2.73Å; R1139-E1204 PolarHBondContact NH1-OE2 3.11Å; R1139-E1204 IonicContact NH2-OE1 3.92Å; R1139-E1204 IonicContact NH2-OE2 3.16Å; R1139-E1204 PolarHBondContact NH2-OE2 3.37Å; R1142-E1204 IonicContact NH1-OE1 2.78Å; R1142-E1204 PolarHBondContact NH1-OE1 3.47Å; T1200-E1204 WeakPolarHBondContact O-CB 3.24Å; T1200-E1204 WeakPolarHBondContact O-CG 3.39Å; T1200-E1204 PolarHBondContact O-N 2.96Å; L1201-E1204 PolarHBondContact O-N 3.38Å; L1201-E1204 VanDerWaalsContact O-N 3.12Å; V1202-E1204 VanDerWaalsContact C-N 3.33Å; V1202-E1204 PolarHBondContact O-N 2.91Å
1205T72.4Confident73.7Confident73 Ų7342.4 Ų42.445%0.44825%0.252SS..Hα-helixtrans-90.7-37.717954.30000114.3L1201 V1202L1201-T1205 PolarHBondContact O-N 3Å; L1201-T1205 PolarHBondContact O-OG1 3.17Å; V1202-T1205 PolarHBondContact O-N 3.23Å; V1202-T1205 PolarHBondContact O-OG1 3.33Å
1206H64.7Low73.4Confident37 Ų3742.9 Ų42.917%0.17126%0.255CS..  trans-104.384-178.1-58.6-97.3000110.9V1202 N1208 L1209 E1292V1202-H1206 PolarHBondContact O-N 2.89Å; V1202-H1206 VanDerWaalsContact O-N 3.09Å; H1206-N1208 PolarHBondContact O-N 3.14Å; H1206-L1209 HydrophobicContact CB-CB 3.91Å; H1206-L1209 HydrophobicContact CB-CD1 3.62Å; H1206-L1209 HydrophobicContact CB-CG 4.41Å; H1206-L1209 PolarHBondContact O-N 2.92Å; H1206-E1292 IonicContact CE1-OE2 3.52Å; H1206-E1292 IonicContact ND1-OE2 2.77Å
1207T52.1Low73.3Confident127 Ų12744.9 Ų44.978%0.77927%0.265SS*.THydrogen-bonded Turntrans-59.1-20.3-168.851.50000116.4
1208N52Low73.4Confident161 Ų16144.7 Ų44.786%0.86126%0.264SS*.THydrogen-bonded Turntrans-99.1-3178.3-71-22.3000113.9H1206 S1210H1206-N1208 PolarHBondContact O-N 3.14Å; N1208-S1210 PolarHBondContact O-N 2.71Å
1209L52.5Low73.7Confident38 Ų3844.9 Ų44.920%0.19927%0.266CS..  trans-8988.6-172.9-107.9140.2000112H1206 L1211 Q1288 L1289H1206-L1209 HydrophobicContact CB-CB 3.91Å; H1206-L1209 HydrophobicContact CB-CD1 3.62Å; H1206-L1209 HydrophobicContact CB-CG 4.41Å; H1206-L1209 PolarHBondContact O-N 2.92Å; L1209-L1211 PolarHBondContact O-N 2.69Å; L1209-Q1288 HydrophobicContact CD2-CB 4.14Å; L1209-L1289 HydrophobicContact CD1-CD2 3.41Å; L1209-L1289 VanDerWaalsContact CD1-CD2 3.41Å; L1209-L1289 HydrophobicContact CD2-CD2 3.54Å; L1209-L1289 HydrophobicContact CD2-CG 3.93Å; L1209-L1289 HydrophobicContact CG-CD2 4.01Å
1210S56.5Low73.9Confident61 Ų6148.2 Ų48.243%0.42728%0.283SS..  trans-54.7128.8151.6177.50000108.7N1208 G1212 Q1288N1208-S1210 PolarHBondContact O-N 2.71Å; S1210-G1212 PolarHBondContact O-N 3.24Å; S1210-Q1288 PolarHBondContact O-OE1 2.88Å
1211L61.6Low74.2Confident12 Ų1248.3 Ų48.36%0.06328%0.284CS..  trans-75.934.6178.8-73.7161.7000112.8L1143 C1147 L1199 L1209 V1216L1143-L1211 HydrophobicContact CD1-CD1 3.57Å; C1147-L1211 HydrophobicContact CB-CB 4.34Å; L1199-L1211 HydrophobicContact CD2-CD1 4.5Å; L1209-L1211 PolarHBondContact O-N 2.69Å; L1211-V1216 HydrophobicContact CB-CG2 3.7Å; L1211-V1216 HydrophobicContact CD1-CG2 4.26Å
1212G55.5Low74.7Confident18 Ų1847.8 Ų47.819%0.18628%0.281CS..  trans82163.2-17200000114.4S1210 G1214S1210-G1212 PolarHBondContact O-N 3.24Å; G1212-G1214 PolarHBondContact O-N 2.96Å
1213T57.1Low75.5Confident152 Ų15252.5 Ų52.593%0.93330%0.299SS*.SBendtrans-8262.7174.7560000110.5
1214G74Confident76.2Confident23 Ų2354.2 Ų54.224%0.23730%0.303CS..SBendtrans-173.2179.7-176.200000114.6E1148 G1212E1148-G1214 VanDerWaalsContact OE2-CA 3.26Å; E1148-G1214 WeakPolarHBondContact OE2-CA 3.46Å; G1212-G1214 PolarHBondContact O-N 2.96Å
1215L85.1Confident77Confident67 Ų6750.6 Ų50.635%0.35129%0.286SS..EExtended strand (participates in β ladder)trans-80.3121.4177.1-59.9178.7000112E1148 G1149 I1151 V1156E1148-L1215 HydrophobicContact CB-CD2 4.3Å; E1148-L1215 HydrophobicContact CG-CD2 4.07Å; G1149-L1215 WeakPolarHBondContact O-CA 3.49Å; I1151-L1215 HydrophobicContact CD1-CB 3.75Å; I1151-L1215 HydrophobicContact CD1-CD1 4.08Å; I1151-L1215 HydrophobicContact CG1-CB 4.03Å; I1151-L1215 HydrophobicContact CG1-CD1 4.18Å; V1156-L1215 HydrophobicContact CG1-CD1 4.05Å; V1156-L1215 HydrophobicContact CG1-CD2 3.9Å; V1156-L1215 HydrophobicContact CG2-CD1 4.2Å
1216V87.8Confident78.1Confident11 Ų1147.7 Ų47.77%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-77.5122.4178-176.40000109.7C1147 G1149 V1150 I1151 L1199 L1211 I1221C1147-V1216 HydrophobicContact CB-CG2 4.06Å; G1149-V1216 PolarHBondContact O-N 3.13Å; V1150-V1216 CarbonylContact C-O 3.58Å; V1150-V1216 WeakPolarHBondContact CA-O 3.23Å; I1151-V1216 PolarHBondContact N-O 2.91Å; L1199-V1216 HydrophobicContact CD1-CG1 3.75Å; L1199-V1216 HydrophobicContact CD2-CG1 3.9Å; L1211-V1216 HydrophobicContact CB-CG2 3.7Å; L1211-V1216 HydrophobicContact CD1-CG2 4.26Å; V1216-I1221 HydrophobicContact CG1-CD1 4.11Å
1217N91.6Very high79.4Confident41 Ų4150.3 Ų50.322%0.21928%0.28CS..EExtended strand (participates in β ladder)trans-98.7102.1-173.9-168.5-49.7000112.6I1151 D1219 N1220 I1221I1151-N1217 HydrophobicContact CB-CB 4.4Å; I1151-N1217 HydrophobicContact CD1-CB 4.33Å; N1217-D1219 WeakPolarHBondContact OD1-CB 3.18Å; N1217-D1219 PolarHBondContact OD1-N 3.36Å; N1217-N1220 HydrophobicContact CB-CB 4.03Å; N1217-N1220 PolarHBondContact O-N 3.48Å; N1217-N1220 VanDerWaalsContact OD1-CG 3.3Å; N1217-N1220 PolarHBondContact OD1-N 3.19Å; N1217-N1220 PolarHBondContact OD1-OD1 3.48Å; N1217-I1221 WeakPolarHBondContact O-CG1 3.38Å; N1217-I1221 PolarHBondContact O-N 3.48Å
1218A93.6Very high81.4Confident0 Ų045.4 Ų45.40%025%0.249CC..Hα-helixtrans-62.6-42.7-178.500000112.2V1150 I1151 V1152 L1192 V1195 N1220 I1221 V1222V1150-A1218 HydrophobicContact CG1-CB 4.27Å; I1151-A1218 WeakPolarHBondContact O-CB 3.2Å; I1151-A1218 PolarHBondContact O-N 2.96Å; V1152-A1218 HydrophobicContact CG2-CB 4.22Å; L1192-A1218 HydrophobicContact CD2-CB 3.62Å; V1195-A1218 HydrophobicContact CG1-CB 3.64Å; A1218-N1220 VanDerWaalsContact C-N 3.3Å; A1218-N1220 PolarHBondContact O-N 2.91Å; A1218-I1221 PolarHBondContact O-N 3.46Å; A1218-I1221 VanDerWaalsContact O-N 3.16Å; A1218-V1222 WeakPolarHBondContact O-CG2 3.32Å; A1218-V1222 PolarHBondContact O-N 3.15Å
1219D94Very high83.4Confident7 Ų737.9 Ų37.94%0.03721%0.209CC..Hα-helixtrans-60.1-38.3177.2-60.7-102.8000112.6G1153 Y1188 N1217 V1222 R1223G1153-D1219 PolarHBondContact N-OD2 3.07Å; Y1188-D1219 WeakPolarHBondContact CE1-OD1 3.47Å; Y1188-D1219 WeakPolarHBondContact OH-CB 3.19Å; Y1188-D1219 VanDerWaalsContact OH-CG 3.31Å; Y1188-D1219 PolarHBondContact OH-OD1 3.34Å; N1217-D1219 WeakPolarHBondContact OD1-CB 3.18Å; N1217-D1219 PolarHBondContact OD1-N 3.36Å; D1219-V1222 PolarHBondContact O-N 3.41Å; D1219-R1223 WeakPolarHBondContact O-CG 3.25Å; D1219-R1223 PolarHBondContact O-N 2.89Å
1220N93.5Very high85.3Confident70 Ų7036.9 Ų36.937%0.37420%0.203SC..Hα-helixtrans-65.6-40.9176-69.9-0.4000111.4N1217 A1218 R1223 K1224 L1285N1217-N1220 HydrophobicContact CB-CB 4.03Å; N1217-N1220 PolarHBondContact O-N 3.48Å; N1217-N1220 VanDerWaalsContact OD1-CG 3.3Å; N1217-N1220 PolarHBondContact OD1-N 3.19Å; N1217-N1220 PolarHBondContact OD1-OD1 3.48Å; A1218-N1220 VanDerWaalsContact C-N 3.3Å; A1218-N1220 PolarHBondContact O-N 2.91Å; N1220-R1223 PolarHBondContact O-N 3.37Å; N1220-R1223 PolarHBondContact OD1-NH1 2.89Å; N1220-K1224 WeakPolarHBondContact O-CB 3.42Å; N1220-K1224 PolarHBondContact O-N 3.13Å; N1220-L1285 HydrophobicContact CB-CD1 4.1Å
1221I93.8Very high87Confident3 Ų336.7 Ų36.72%0.01521%0.206CC..Hα-helixtrans-64.2-43.8177-60.5157.5000110.6V1195 L1199 V1216 N1217 A1218 R1223 K1224 A1225 V1282 L1285V1195-I1221 HydrophobicContact CG2-CB 3.78Å; V1195-I1221 HydrophobicContact CG2-CG2 3.31Å; L1199-I1221 HydrophobicContact CD1-CD1 4.15Å; L1199-I1221 HydrophobicContact CD2-CD1 4Å; L1199-I1221 HydrophobicContact CG-CD1 4.37Å; V1216-I1221 HydrophobicContact CG1-CD1 4.11Å; N1217-I1221 WeakPolarHBondContact O-CG1 3.38Å; N1217-I1221 PolarHBondContact O-N 3.48Å; A1218-I1221 PolarHBondContact O-N 3.46Å; A1218-I1221 VanDerWaalsContact O-N 3.16Å; I1221-R1223 PolarHBondContact O-N 3.18Å; I1221-K1224 PolarHBondContact O-N 2.85Å; I1221-A1225 VanDerWaalsContact O-CB 3.31Å; I1221-A1225 WeakPolarHBondContact O-CB 3.41Å; I1221-A1225 PolarHBondContact O-N 3.11Å; I1221-V1282 HydrophobicContact CD1-CG2 4.03Å; I1221-V1282 HydrophobicContact CG1-CG2 4.33Å; I1221-V1282 HydrophobicContact CG2-CG2 3.69Å; I1221-L1285 HydrophobicContact CB-CD1 4.28Å; I1221-L1285 HydrophobicContact CG1-CD1 3.79Å
1222V95.2Very high88.4Confident0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-62.5-41.4176.3178.80000111.5Y1188 L1191 L1192 V1195 A1218 D1219 N1226 I1259 M1278Y1188-V1222 HydrophobicContact CE2-CG1 3.98Å; L1191-V1222 HydrophobicContact CB-CG1 4.1Å; L1191-V1222 HydrophobicContact CB-CG2 4.47Å; L1191-V1222 HydrophobicContact CD1-CG1 3.93Å; L1192-V1222 HydrophobicContact CD2-CG2 3.97Å; V1195-V1222 HydrophobicContact CB-CG2 3.93Å; V1195-V1222 HydrophobicContact CG1-CG2 3.9Å; V1195-V1222 HydrophobicContact CG2-CG2 4.22Å; A1218-V1222 WeakPolarHBondContact O-CG2 3.32Å; A1218-V1222 PolarHBondContact O-N 3.15Å; D1219-V1222 PolarHBondContact O-N 3.41Å; V1222-N1226 WeakPolarHBondContact O-CB 3.49Å; V1222-N1226 PolarHBondContact O-N 3.14Å; V1222-N1226 VanDerWaalsContact O-N 3.09Å; V1222-I1259 HydrophobicContact CG1-CD1 3.98Å; V1222-I1259 HydrophobicContact CG1-CG1 4.22Å; V1222-M1278 HydrophobicContact CG2-CE 4.38Å
1223R94.7Very high90.1Very high103 Ų10338.1 Ų38.139%0.38921%0.208SC..Hα-helixtrans-63.7-42.1174-70.3-173.3-13997.83.1112D1219 N1220 I1221 N1226 E1227 I1259D1219-R1223 WeakPolarHBondContact O-CG 3.25Å; D1219-R1223 PolarHBondContact O-N 2.89Å; N1220-R1223 PolarHBondContact O-N 3.37Å; N1220-R1223 PolarHBondContact OD1-NH1 2.89Å; I1221-R1223 PolarHBondContact O-N 3.18Å; R1223-N1226 PolarHBondContact O-N 3.48Å; R1223-E1227 PolarHBondContact O-N 3.43Å; R1223-I1259 HydrophobicContact CG-CD1 4.01Å
1224K94.4Very high91.6Very high58 Ų5836.3 Ų36.325%0.25219%0.187SC..Hα-helixtrans-69.8-38.7-179.8-166.257.8175.8179.30112.6N1220 I1221 N1226 E1227 I1228 C1284 L1285N1220-K1224 WeakPolarHBondContact O-CB 3.42Å; N1220-K1224 PolarHBondContact O-N 3.13Å; I1221-K1224 PolarHBondContact O-N 2.85Å; K1224-N1226 VanDerWaalsContact C-N 3.3Å; K1224-N1226 PolarHBondContact O-N 3.16Å; K1224-E1227 HydrophobicContact CD-CB 4.39Å; K1224-E1227 WeakPolarHBondContact CD-OE2 3.27Å; K1224-E1227 IonicContact NZ-OE2 3.05Å; K1224-E1227 PolarHBondContact NZ-OE2 3.2Å; K1224-E1227 WeakPolarHBondContact O-CB 3.21Å; K1224-E1227 PolarHBondContact O-N 2.86Å; K1224-I1228 HydrophobicContact CG-CD1 4.2Å; K1224-I1228 VanDerWaalsContact O-CG1 3.29Å; K1224-I1228 WeakPolarHBondContact O-CG1 3.19Å; K1224-I1228 PolarHBondContact O-N 3.08Å; K1224-C1284 WeakPolarHBondContact CE-SG 3.44Å; K1224-C1284 HydrophobicContact CG-CB 4.29Å; K1224-L1285 HydrophobicContact CB-CD1 3.87Å; K1224-L1285 HydrophobicContact CB-CG 4.2Å; K1224-L1285 HydrophobicContact CG-CD1 4.42Å; K1224-L1285 HydrophobicContact CG-CD2 4.43Å; K1224-L1285 HydrophobicContact CG-CG 4.2Å
1225A95.1Very high92.3Very high0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-56.1-45.1170.600000111.6I1221 I1228 F1229 F1263 Y1277 M1278I1221-A1225 VanDerWaalsContact O-CB 3.31Å; I1221-A1225 WeakPolarHBondContact O-CB 3.41Å; I1221-A1225 PolarHBondContact O-N 3.11Å; A1225-I1228 PolarHBondContact O-N 3.25Å; A1225-F1229 WeakPolarHBondContact O-CB 3.24Å; A1225-F1229 PolarHBondContact O-N 2.69Å; A1225-F1263 HydrophobicContact CB-CE1 4.35Å; A1225-F1263 HydrophobicContact CB-CZ 3.81Å; A1225-Y1277 WeakPolarHBondContact CA-O 3.24Å; A1225-Y1277 WeakPolarHBondContact CB-O 3.11Å; A1225-M1278 HydrophobicContact CB-CG 4.06Å
1226N94.8Very high92.4Very high12 Ų1240.7 Ų40.76%0.06421%0.214CC..Hα-helixtrans-67.4-34.4175.7170.588.8000113.5V1222 R1223 K1224 L1230 I1259 C1260 F1263V1222-N1226 WeakPolarHBondContact O-CB 3.49Å; V1222-N1226 PolarHBondContact O-N 3.14Å; V1222-N1226 VanDerWaalsContact O-N 3.09Å; R1223-N1226 PolarHBondContact O-N 3.48Å; K1224-N1226 VanDerWaalsContact C-N 3.3Å; K1224-N1226 PolarHBondContact O-N 3.16Å; N1226-L1230 WeakPolarHBondContact O-CB 3.38Å; N1226-L1230 VanDerWaalsContact O-CG 3.25Å; N1226-L1230 WeakPolarHBondContact O-CG 3.37Å; N1226-L1230 PolarHBondContact O-N 3.27Å; N1226-I1259 HydrophobicContact CB-CD1 3.74Å; N1226-I1259 HydrophobicContact CB-CG2 4.2Å; N1226-C1260 VanDerWaalsContact OD1-CB 3.32Å; N1226-C1260 WeakPolarHBondContact OD1-CB 3.3Å; N1226-C1260 PolarHBondContact OD1-N 2.9Å; N1226-F1263 HydrophobicContact CB-CD1 4.13Å; N1226-F1263 HydrophobicContact CB-CE1 4.42Å; N1226-F1263 HydrophobicContact CB-CG 4.44Å
1227E93.7Very high92.3Very high93 Ų9348.6 Ų48.644%0.43525%0.247SC..Hα-helixtrans-62.8-45171.1-74.1-177.2175.800112R1223 K1224 L1230 A1231R1223-E1227 PolarHBondContact O-N 3.43Å; K1224-E1227 HydrophobicContact CD-CB 4.39Å; K1224-E1227 WeakPolarHBondContact CD-OE2 3.27Å; K1224-E1227 IonicContact NZ-OE2 3.05Å; K1224-E1227 PolarHBondContact NZ-OE2 3.2Å; K1224-E1227 WeakPolarHBondContact O-CB 3.21Å; K1224-E1227 PolarHBondContact O-N 2.86Å; E1227-L1230 PolarHBondContact O-N 2.69Å; E1227-A1231 PolarHBondContact O-N 3.4Å
1228I93.4Very high91.9Very high24 Ų2447.5 Ų47.512%0.12325%0.246CC..Hα-helixtrans-65.7-43.6179.4-62.6164.6000109.9K1224 A1225 L1230 A1231 D1232 Y1277 R1280K1224-I1228 HydrophobicContact CG-CD1 4.2Å; K1224-I1228 VanDerWaalsContact O-CG1 3.29Å; K1224-I1228 WeakPolarHBondContact O-CG1 3.19Å; K1224-I1228 PolarHBondContact O-N 3.08Å; A1225-I1228 PolarHBondContact O-N 3.25Å; I1228-L1230 VanDerWaalsContact C-N 3.35Å; I1228-L1230 PolarHBondContact O-N 3.25Å; I1228-A1231 WeakPolarHBondContact O-CB 3.49Å; I1228-A1231 PolarHBondContact O-N 3.16Å; I1228-A1231 VanDerWaalsContact O-N 3.12Å; I1228-D1232 PolarHBondContact O-N 3.03Å; I1228-Y1277 HydrophobicContact CB-CD1 4.18Å; I1228-Y1277 HydrophobicContact CG2-CD1 3.8Å; I1228-Y1277 HydrophobicContact CG2-CE1 4.04Å; I1228-R1280 HydrophobicContact CD1-CB 4.04Å; I1228-R1280 VanDerWaalsContact CG2-NH2 3.32Å
1229F93.9Very high91.4Very high2 Ų252.1 Ų52.11%0.00927%0.271CS..Hα-helixtrans-55.5-45.8171.6170.9-99.6000112.6A1225 A1231 D1232 Q1233 A1240 C1260 H1262 F1263 S1266 Y1277A1225-F1229 WeakPolarHBondContact O-CB 3.24Å; A1225-F1229 PolarHBondContact O-N 2.69Å; F1229-A1231 VanDerWaalsContact C-N 3.28Å; F1229-A1231 PolarHBondContact O-N 3.06Å; F1229-D1232 PolarHBondContact O-N 2.89Å; F1229-Q1233 HydrophobicContact CD1-CG 4.1Å; F1229-Q1233 HydrophobicContact CD2-CG 3.91Å; F1229-Q1233 HydrophobicContact CE1-CG 3.83Å; F1229-Q1233 HydrophobicContact CE2-CG 3.64Å; F1229-Q1233 HydrophobicContact CG-CG 4.14Å; F1229-Q1233 HydrophobicContact CZ-CG 3.6Å; F1229-Q1233 WeakPolarHBondContact O-CB 3.45Å; F1229-Q1233 WeakPolarHBondContact O-CG 3.09Å; F1229-Q1233 PolarHBondContact O-N 3.11Å; F1229-A1240 HydrophobicContact CE1-CB 3.96Å; F1229-A1240 HydrophobicContact CZ-CB 4.43Å; F1229-C1260 HydrophobicContact CE1-CB 4.38Å; F1229-H1262 HydrophobicContact CE1-CB 4.16Å; F1229-H1262 HydrophobicContact CZ-CB 3.94Å; F1229-F1263 HydrophobicContact CB-CD2 3.65Å; F1229-F1263 HydrophobicContact CB-CE2 3.95Å; F1229-F1263 HydrophobicContact CD1-CB 3.79Å; F1229-F1263 AromaticContact CD1-CD2 3.84Å; F1229-F1263 HydrophobicContact CD1-CD2 3.84Å; F1229-F1263 HydrophobicContact CD1-CG 4.21Å; F1229-F1263 AromaticContact CD2-CD2 3.72Å; F1229-F1263 HydrophobicContact CD2-CD2 3.72Å; F1229-F1263 HydrophobicContact CD2-CE2 4.38Å; F1229-F1263 HydrophobicContact CE1-CB 3.82Å; F1229-F1263 HydrophobicContact CE1-CD2 4.4Å; F1229-F1263 HydrophobicContact CE2-CD2 4.28Å; F1229-F1263 HydrophobicContact CG-CB 4.31Å; F1229-F1263 AromaticContact CG-CD2 3.46Å; F1229-F1263 HydrophobicContact CG-CD2 3.46Å; F1229-F1263 VanDerWaalsContact CG-CD2 3.46Å; F1229-F1263 HydrophobicContact CG-CE2 4.2Å; F1229-F1263 HydrophobicContact CG-CG 4.27Å; F1229-F1263 HydrophobicContact CZ-CB 4.36Å; F1229-S1266 WeakPolarHBondContact CE2-OG 3.47Å; F1229-Y1277 VanDerWaalsContact CA-CE1 3.44Å; F1229-Y1277 HydrophobicContact CB-CD1 3.99Å; F1229-Y1277 HydrophobicContact CB-CD2 4.24Å; F1229-Y1277 HydrophobicContact CB-CE1 4.01Å; F1229-Y1277 HydrophobicContact CB-CE2 4.26Å; F1229-Y1277 HydrophobicContact CB-CG 4.12Å; F1229-Y1277 HydrophobicContact CD2-CD2 4.09Å; F1229-Y1277 AromaticContact CD2-CE2 3.6Å; F1229-Y1277 HydrophobicContact CD2-CE2 3.6Å; F1229-Y1277 AromaticContact CD2-CZ 3.9Å; F1229-Y1277 HydrophobicContact CG-CE2 4.42Å
1230L91.9Very high90.9Very high17 Ų1751.8 Ų51.89%0.08927%0.269CS..Hα-helixtrans-68.8-25.4178.3-69.3173.1000113.1N1226 E1227 I1228 K1234 A1240 C1244 C1245 C1260N1226-L1230 WeakPolarHBondContact O-CB 3.38Å; N1226-L1230 VanDerWaalsContact O-CG 3.25Å; N1226-L1230 WeakPolarHBondContact O-CG 3.37Å; N1226-L1230 PolarHBondContact O-N 3.27Å; E1227-L1230 PolarHBondContact O-N 2.69Å; I1228-L1230 VanDerWaalsContact C-N 3.35Å; I1228-L1230 PolarHBondContact O-N 3.25Å; L1230-K1234 VanDerWaalsContact O-CB 3.28Å; L1230-K1234 WeakPolarHBondContact O-CB 3.4Å; L1230-K1234 PolarHBondContact O-N 3.4Å; L1230-A1240 HydrophobicContact CD2-CB 3.83Å; L1230-C1244 HydrophobicContact CD1-CB 3.94Å; L1230-C1244 HydrophobicContact CD2-CB 3.64Å; L1230-C1244 HydrophobicContact CG-CB 4.48Å; L1230-C1245 VanDerWaalsContact CD2-SG 3.58Å; L1230-C1245 PolarHBondContact O-SG 3.03Å; L1230-C1245 VanDerWaalsContact O-SG 3.37Å; L1230-C1260 HydrophobicContact CD2-CB 4Å
1231A91.7Very high90.4Very high58 Ų5851.8 Ų51.848%0.47927%0.268SS..Hα-helixtrans-72.9-51.6172.100000111.4E1227 I1228 F1229 Q1233 K1234 A1235E1227-A1231 PolarHBondContact O-N 3.4Å; I1228-A1231 WeakPolarHBondContact O-CB 3.49Å; I1228-A1231 PolarHBondContact O-N 3.16Å; I1228-A1231 VanDerWaalsContact O-N 3.12Å; F1229-A1231 VanDerWaalsContact C-N 3.28Å; F1229-A1231 PolarHBondContact O-N 3.06Å; A1231-Q1233 PolarHBondContact O-N 2.96Å; A1231-K1234 PolarHBondContact O-N 3.41Å; A1231-K1234 VanDerWaalsContact O-N 3.11Å; A1231-A1235 PolarHBondContact O-N 2.9Å
1232D91.9Very high89.7Confident36 Ų3655.1 Ų55.119%0.19330%0.296CS..Hα-helixtrans-57.7-47176.2-75.931.1000111.4I1228 F1229 K1234 A1235 E1236 Y1277 R1280I1228-D1232 PolarHBondContact O-N 3.03Å; F1229-D1232 PolarHBondContact O-N 2.89Å; D1232-K1234 VanDerWaalsContact C-N 3.26Å; D1232-K1234 PolarHBondContact O-N 2.79Å; D1232-A1235 PolarHBondContact O-N 3.16Å; D1232-A1235 VanDerWaalsContact O-N 3.09Å; D1232-E1236 PolarHBondContact O-N 3.29Å; D1232-Y1277 HydrophobicContact CB-CE1 4.13Å; D1232-Y1277 WeakPolarHBondContact CB-OH 3.47Å; D1232-Y1277 WeakPolarHBondContact OD2-CE1 3.43Å; D1232-Y1277 PolarHBondContact OD2-OH 2.93Å; D1232-R1280 IonicContact OD1-CZ 3.06Å; D1232-R1280 IonicContact OD1-NH1 3.67Å; D1232-R1280 IonicContact OD1-NH2 3.77Å; D1232-R1280 PolarHBondContact OD1-NH2 2.9Å; D1232-R1280 IonicContact OD2-CZ 3.16Å; D1232-R1280 IonicContact OD2-NH1 2.85Å; D1232-R1280 PolarHBondContact OD2-NH1 3.39Å; D1232-R1280 IonicContact OD2-NH2 2.78Å; D1232-R1280 PolarHBondContact OD2-NH2 3.38Å
1233Q90.6Very high89.1Confident24 Ų2455.6 Ų55.611%0.11230%0.299CS..Hα-helixtrans-61.1-31.9176.5-71.6-87-60.600112.8F1229 A1231 K1237 G1238 A1240F1229-Q1233 HydrophobicContact CD1-CG 4.1Å; F1229-Q1233 HydrophobicContact CD2-CG 3.91Å; F1229-Q1233 HydrophobicContact CE1-CG 3.83Å; F1229-Q1233 HydrophobicContact CE2-CG 3.64Å; F1229-Q1233 HydrophobicContact CG-CG 4.14Å; F1229-Q1233 HydrophobicContact CZ-CG 3.6Å; F1229-Q1233 WeakPolarHBondContact O-CB 3.45Å; F1229-Q1233 WeakPolarHBondContact O-CG 3.09Å; F1229-Q1233 PolarHBondContact O-N 3.11Å; A1231-Q1233 PolarHBondContact O-N 2.96Å; Q1233-K1237 CarbonylContact O-C 3.54Å; Q1233-K1237 VanDerWaalsContact O-CA 3.28Å; Q1233-K1237 WeakPolarHBondContact O-CA 3.47Å; Q1233-K1237 PolarHBondContact O-N 3.35Å; Q1233-G1238 PolarHBondContact O-N 3.41Å; Q1233-A1240 HydrophobicContact CB-CB 3.96Å; Q1233-A1240 HydrophobicContact CG-CB 3.98Å
1234K89.5Confident88.6Confident113 Ų11351 Ų5149%0.49128%0.282SS..Hα-helixtrans-76.8-30.5175.6-173.4171-179169.40112.3L1230 A1231 D1232 M1241 C1245L1230-K1234 VanDerWaalsContact O-CB 3.28Å; L1230-K1234 WeakPolarHBondContact O-CB 3.4Å; L1230-K1234 PolarHBondContact O-N 3.4Å; A1231-K1234 PolarHBondContact O-N 3.41Å; A1231-K1234 VanDerWaalsContact O-N 3.11Å; D1232-K1234 VanDerWaalsContact C-N 3.26Å; D1232-K1234 PolarHBondContact O-N 2.79Å; K1234-M1241 HydrophobicContact CB-SD 4.26Å; K1234-M1241 HydrophobicContact CG-SD 4.14Å; K1234-C1245 HydrophobicContact CB-CB 4.23Å
1235A88.5Confident87.9Confident82 Ų8248.6 Ų48.668%0.67827%0.273SS*.Hα-helixtrans-73.6-47.9174.600000112.1A1231 D1232A1231-A1235 PolarHBondContact O-N 2.9Å; D1232-A1235 PolarHBondContact O-N 3.16Å; D1232-A1235 VanDerWaalsContact O-N 3.09Å
1236E87.3Confident87.1Confident100 Ų10051.5 Ų51.547%0.46729%0.288SS..THydrogen-bonded Turntrans-91.43.9-177.2-61-169.3-174.800113.7D1232 G1238 R1271 Y1272D1232-E1236 PolarHBondContact O-N 3.29Å; E1236-G1238 PolarHBondContact O-N 3.24Å; E1236-R1271 IonicContact OE1-NH2 3.84Å; E1236-R1271 PolarHBondContact OE1-NH2 3.37Å; E1236-Y1272 VanDerWaalsContact CD-OH 3.31Å; E1236-Y1272 PolarHBondContact OE1-OH 3.48Å; E1236-Y1272 WeakPolarHBondContact OE2-CE1 3.39Å; E1236-Y1272 PolarHBondContact OE2-OH 2.86Å
1237K85Confident85.9Confident177 Ų17758.3 Ų58.377%0.7732%0.32SS*.THydrogen-bonded Turntrans60.332.6178.8-53.8177-177.1171.80115.3Q1233Q1233-K1237 CarbonylContact O-C 3.54Å; Q1233-K1237 VanDerWaalsContact O-CA 3.28Å; Q1233-K1237 WeakPolarHBondContact O-CA 3.47Å; Q1233-K1237 PolarHBondContact O-N 3.35Å
1238G83.8Confident84.7Confident19 Ų1963 Ų6320%0.19634%0.341CS..  trans-70.5172179.100000114.9Q1233 E1236 A1240 M1241Q1233-G1238 PolarHBondContact O-N 3.41Å; E1236-G1238 PolarHBondContact O-N 3.24Å; G1238-A1240 PolarHBondContact O-N 2.81Å; G1238-M1241 VanDerWaalsContact O-CB 3.27Å; G1238-M1241 WeakPolarHBondContact O-CB 3.33Å; G1238-M1241 VanDerWaalsContact O-CG 3.26Å; G1238-M1241 WeakPolarHBondContact O-CG 3.38Å; G1238-M1241 PolarHBondContact O-N 3.15Å
1239D83.1Confident83.6Confident96 Ų9666.5 Ų66.551%0.51336%0.356SS..G310 helixtrans-47.8-32.3-170.7-49.1-30000115.8M1241 A1242 H1262D1239-M1241 PolarHBondContact O-N 3.06Å; D1239-A1242 VanDerWaalsContact O-CB 3.28Å; D1239-A1242 WeakPolarHBondContact O-CB 3.37Å; D1239-A1242 PolarHBondContact O-N 3.45Å; D1239-H1262 VanDerWaalsContact CB-ND1 3.28Å; D1239-H1262 WeakPolarHBondContact CB-ND1 3.37Å
1240A82.7Confident82.4Confident0 Ų073 Ų730%038%0.384CS..G310 helixtrans-63.1-12.9178.700000113.7F1229 L1230 Q1233 G1238 A1242 C1243 C1244 C1245 H1262F1229-A1240 HydrophobicContact CE1-CB 3.96Å; F1229-A1240 HydrophobicContact CZ-CB 4.43Å; L1230-A1240 HydrophobicContact CD2-CB 3.83Å; Q1233-A1240 HydrophobicContact CB-CB 3.96Å; Q1233-A1240 HydrophobicContact CG-CB 3.98Å; G1238-A1240 PolarHBondContact O-N 2.81Å; A1240-A1242 PolarHBondContact O-N 2.94Å; A1240-C1243 CarbonylContact O-C 3.51Å; A1240-C1243 PolarHBondContact O-N 3.17Å; A1240-C1244 PolarHBondContact O-N 3.27Å; A1240-C1244 VanDerWaalsContact O-N 3.16Å; A1240-C1245 PolarHBondContact O-N 3.17Å; A1240-H1262 HydrophobicContact CB-CB 4.32Å
1241M82.7Confident81.3Confident70 Ų7073.8 Ų73.835%0.34540%0.396SS..G310 helixtrans-58.8-24.6165.5-70.8-63.6-68.600113.6K1234 G1238 D1239 C1243 C1245 I1246K1234-M1241 HydrophobicContact CB-SD 4.26Å; K1234-M1241 HydrophobicContact CG-SD 4.14Å; G1238-M1241 VanDerWaalsContact O-CB 3.27Å; G1238-M1241 WeakPolarHBondContact O-CB 3.33Å; G1238-M1241 VanDerWaalsContact O-CG 3.26Å; G1238-M1241 WeakPolarHBondContact O-CG 3.38Å; G1238-M1241 PolarHBondContact O-N 3.15Å; D1239-M1241 PolarHBondContact O-N 3.06Å; M1241-C1243 PolarHBondContact O-N 2.89Å; M1241-C1245 HydrophobicContact CG-CB 4.4Å; M1241-C1245 HydrophobicContact SD-CB 3.5Å; M1241-C1245 VanDerWaalsContact SD-CB 3.5Å; M1241-I1246 WeakPolarHBondContact O-CD1 3.2Å
1242A80.2Confident80.4Confident74 Ų7474.8 Ų74.861%0.61240%0.399SS*.G310 helixtrans-66.9-17.9172.200000113.2D1239 A1240D1239-A1242 VanDerWaalsContact O-CB 3.28Å; D1239-A1242 WeakPolarHBondContact O-CB 3.37Å; D1239-A1242 PolarHBondContact O-N 3.45Å; A1240-A1242 PolarHBondContact O-N 2.94Å
1243C82.3Confident79.6Confident9 Ų974.4 Ų74.46%0.06140%0.399CS..THydrogen-bonded Turntrans-143.1-95.3-178.656.60000113.8A1240 M1241 C1245 I1246 K1249 C1253 H1262A1240-C1243 CarbonylContact O-C 3.51Å; A1240-C1243 PolarHBondContact O-N 3.17Å; M1241-C1243 PolarHBondContact O-N 2.89Å; C1243-C1245 VanDerWaalsContact C-N 3.31Å; C1243-C1245 PolarHBondContact O-N 3.13Å; C1243-I1246 PolarHBondContact O-N 3.43Å; C1243-K1249 WeakPolarHBondContact O-CB 3.29Å; C1243-C1253 HydrophobicContact CB-CB 3.89Å; C1243-H1262 VanDerWaalsContact SG-CD2 3.52Å
1244C83.1Confident78.7Confident6 Ų674.9 Ų74.94%0.04141%0.411CS..THydrogen-bonded Turntrans-73.6-10.2-159.5-66.50000116.1L1230 A1240 I1246 G1251 C1253 C1260L1230-C1244 HydrophobicContact CD1-CB 3.94Å; L1230-C1244 HydrophobicContact CD2-CB 3.64Å; L1230-C1244 HydrophobicContact CG-CB 4.48Å; A1240-C1244 PolarHBondContact O-N 3.27Å; A1240-C1244 VanDerWaalsContact O-N 3.16Å; C1244-I1246 VanDerWaalsContact C-N 3.29Å; C1244-G1251 PolarHBondContact SG-N 3.09Å; C1244-C1253 PolarHBondContact SG-SG 2.76Å; C1244-C1260 HydrophobicContact CB-CB 4.27Å
1245C81.4Confident78.1Confident9 Ų970.1 Ų70.16%0.06139%0.394CS..THydrogen-bonded Turntrans-78-14.9173.3-620000113.2L1230 K1234 A1240 M1241 C1243L1230-C1245 VanDerWaalsContact CD2-SG 3.58Å; L1230-C1245 PolarHBondContact O-SG 3.03Å; L1230-C1245 VanDerWaalsContact O-SG 3.37Å; K1234-C1245 HydrophobicContact CB-CB 4.23Å; A1240-C1245 PolarHBondContact O-N 3.17Å; M1241-C1245 HydrophobicContact CG-CB 4.4Å; M1241-C1245 HydrophobicContact SD-CB 3.5Å; M1241-C1245 VanDerWaalsContact SD-CB 3.5Å; C1243-C1245 VanDerWaalsContact C-N 3.31Å; C1243-C1245 PolarHBondContact O-N 3.13Å
1246I77.8Confident77.6Confident61 Ų6166.3 Ų66.331%0.31336%0.362SS..SBendtrans-89.8124.2170-60.5168.8000107.6M1241 C1243 C1244 E1248 K1249 K1250M1241-I1246 WeakPolarHBondContact O-CD1 3.2Å; C1243-I1246 PolarHBondContact O-N 3.43Å; C1244-I1246 VanDerWaalsContact C-N 3.29Å; I1246-E1248 HydrophobicContact CG2-CB 4.41Å; I1246-E1248 PolarHBondContact O-N 2.99Å; I1246-K1249 HydrophobicContact CB-CB 4.19Å; I1246-K1249 HydrophobicContact CB-CD 4.46Å; I1246-K1249 HydrophobicContact CD1-CD 4.22Å; I1246-K1249 HydrophobicContact CG2-CB 4.36Å; I1246-K1249 HydrophobicContact CG2-CD 4.43Å; I1246-K1249 HydrophobicContact CG2-CG 4.28Å; I1246-K1249 CarbonylContact O-C 3.42Å; I1246-K1249 WeakPolarHBondContact O-CA 3.39Å; I1246-K1249 PolarHBondContact O-N 2.97Å; I1246-K1250 PolarHBondContact O-N 3.49Å; I1246-K1250 VanDerWaalsContact O-N 3.15Å
1247E69.5Low77.5Confident155 Ų15565.3 Ų65.372%0.72436%0.357SS*.G310 helixtrans-64.9-40.3-170.1-62.1-169.2136.700112.9K1249 K1250E1247-K1249 PolarHBondContact O-N 3.15Å; E1247-K1249 VanDerWaalsContact O-N 3.1Å; E1247-K1250 WeakPolarHBondContact O-CB 3.38Å; E1247-K1250 PolarHBondContact O-N 2.88Å; E1247-K1250 VanDerWaalsContact O-N 3.13Å
1248E68.6Low77.4Confident190 Ų19059.5 Ų59.589%0.88835%0.348SS*.G310 helixtrans-60.3-18.6172.9-58.6179.5158.300113.6I1246I1246-E1248 HydrophobicContact CG2-CB 4.41Å; I1246-E1248 PolarHBondContact O-N 2.99Å
1249K70.5Confident77.8Confident99 Ų9958.6 Ų58.643%0.4334%0.339SS..G310 helixtrans-113.913.2-179.2-66.4-177.4-179.6177.90112.7C1243 I1246 E1247 G1251 S1252C1243-K1249 WeakPolarHBondContact O-CB 3.29Å; I1246-K1249 HydrophobicContact CB-CB 4.19Å; I1246-K1249 HydrophobicContact CB-CD 4.46Å; I1246-K1249 HydrophobicContact CD1-CD 4.22Å; I1246-K1249 HydrophobicContact CG2-CB 4.36Å; I1246-K1249 HydrophobicContact CG2-CD 4.43Å; I1246-K1249 HydrophobicContact CG2-CG 4.28Å; I1246-K1249 CarbonylContact O-C 3.42Å; I1246-K1249 WeakPolarHBondContact O-CA 3.39Å; I1246-K1249 PolarHBondContact O-N 2.97Å; E1247-K1249 PolarHBondContact O-N 3.15Å; E1247-K1249 VanDerWaalsContact O-N 3.1Å; K1249-G1251 PolarHBondContact O-N 3.35Å; K1249-S1252 WeakPolarHBondContact O-CB 3.3Å; K1249-S1252 PolarHBondContact O-N 2.96Å; K1249-S1252 PolarHBondContact O-OG 2.88Å
1250K68.3Low78.1Confident139 Ų13954 Ų5460%0.60431%0.314SS*.THydrogen-bonded Turntrans-64.4106.5-177.6-159.6170.9-172.5176.70110.5I1246 E1247I1246-K1250 PolarHBondContact O-N 3.49Å; I1246-K1250 VanDerWaalsContact O-N 3.15Å; E1247-K1250 WeakPolarHBondContact O-CB 3.38Å; E1247-K1250 PolarHBondContact O-N 2.88Å; E1247-K1250 VanDerWaalsContact O-N 3.13Å
1251G68.5Low78.3Confident33 Ų3357.3 Ų57.334%0.3433%0.328SS..THydrogen-bonded Turntrans97.7-7.2-173.800000115.5C1244 K1249 C1253 G1254C1244-G1251 PolarHBondContact SG-N 3.09Å; K1249-G1251 PolarHBondContact O-N 3.35Å; G1251-C1253 PolarHBondContact O-N 3.34Å; G1251-G1254 PolarHBondContact O-N 3.48Å
1252S72.5Confident78.7Confident78 Ų7855 Ų5555%0.54532%0.317SS..THydrogen-bonded Turntrans-65.5-15-175.583.70000114.3K1249 G1254K1249-S1252 WeakPolarHBondContact O-CB 3.3Å; K1249-S1252 PolarHBondContact O-N 2.96Å; K1249-S1252 PolarHBondContact O-OG 2.88Å; S1252-G1254 PolarHBondContact O-N 3.29Å; S1252-G1254 VanDerWaalsContact O-N 3.15Å
1253C76.4Confident79.3Confident28 Ų2851.5 Ų51.519%0.18929%0.288CS..THydrogen-bonded Turntrans-67.2-4.9174.968.80000114.6C1243 C1244 G1251 G1255 K1261C1243-C1253 HydrophobicContact CB-CB 3.89Å; C1244-C1253 PolarHBondContact SG-SG 2.76Å; G1251-C1253 PolarHBondContact O-N 3.34Å; C1253-G1255 VanDerWaalsContact C-N 3.25Å; C1253-G1255 PolarHBondContact O-N 2.93Å; C1253-K1261 HydrophobicContact CB-CB 3.85Å; C1253-K1261 PolarHBondContact SG-N 2.91Å
1254G71.4Confident79.6Confident35 Ų3551.1 Ų51.136%0.36129%0.285SS..  trans77.21.8178.200000115.1K1019 G1251 S1252K1019-G1254 PolarHBondContact NZ-O 3.47Å; G1251-G1254 PolarHBondContact O-N 3.48Å; S1252-G1254 PolarHBondContact O-N 3.29Å; S1252-G1254 VanDerWaalsContact O-N 3.15Å
1255G75.5Confident79.9Confident13 Ų1352.3 Ų52.313%0.13429%0.291CS..  trans-55.5147.8-176.300000114.5K1019 C1253 I1259K1019-G1255 PolarHBondContact NZ-O 2.96Å; C1253-G1255 VanDerWaalsContact C-N 3.25Å; C1253-G1255 PolarHBondContact O-N 2.93Å; G1255-I1259 WeakPolarHBondContact CA-O 3.45Å
1256A79Confident80.3Confident2 Ų252.5 Ų52.52%0.01729%0.293CS..G310 helixtrans-66.7147.2179.100000111.4D1185 E1187 G1258 I1259 Y1264D1185-A1256 HydrophobicContact CB-CB 3.82Å; D1185-A1256 WeakPolarHBondContact OD1-CB 3.26Å; E1187-A1256 HydrophobicContact CG-CB 4.37Å; A1256-G1258 PolarHBondContact O-N 3.28Å; A1256-I1259 PolarHBondContact O-N 3.03Å; A1256-I1259 VanDerWaalsContact O-N 3.09Å; A1256-Y1264 HydrophobicContact CB-CE2 4.39Å; A1256-Y1264 WeakPolarHBondContact CB-OH 3.26Å; A1256-Y1264 PolarHBondContact O-OH 2.59Å
1257H84.3Confident80.8Confident78 Ų7851.9 Ų51.936%0.36129%0.292SS..G310 helixtrans54.321.4176.2-65.576000116.3D1185 Y1188 I1259D1185-H1257 IonicContact OD2-CE1 3.69Å; D1185-H1257 PolarHBondContact OD2-CE1 3.35Å; D1185-H1257 IonicContact OD2-ND1 2.83Å; D1185-H1257 PolarHBondContact OD2-ND1 3.01Å; Y1188-H1257 HydrophobicContact CD1-CB 4.23Å; Y1188-H1257 AromaticContact CD1-CD2 3.68Å; Y1188-H1257 AromaticContact CD1-CE1 3.48Å; Y1188-H1257 VanDerWaalsContact CD1-CE1 3.48Å; Y1188-H1257 WeakPolarHBondContact CD1-CE1 3.29Å; Y1188-H1257 AromaticContact CD1-CG 3.49Å; Y1188-H1257 VanDerWaalsContact CD1-CG 3.49Å; Y1188-H1257 AromaticContact CD1-ND1 3.36Å; Y1188-H1257 WeakPolarHBondContact CD1-ND1 3.36Å; Y1188-H1257 AromaticContact CD1-NE2 3.69Å; Y1188-H1257 HydrophobicContact CD2-CB 3.82Å; Y1188-H1257 AromaticContact CD2-CG 3.97Å; Y1188-H1257 HydrophobicContact CE1-CB 4.15Å; Y1188-H1257 AromaticContact CE1-CD2 3.43Å; Y1188-H1257 VanDerWaalsContact CE1-CD2 3.43Å; Y1188-H1257 WeakPolarHBondContact CE1-CD2 3.23Å; Y1188-H1257 AromaticContact CE1-CG 3.57Å; Y1188-H1257 AromaticContact CE1-ND1 3.93Å; Y1188-H1257 AromaticContact CE1-NE2 3.76Å; Y1188-H1257 HydrophobicContact CE2-CB 3.71Å; Y1188-H1257 HydrophobicContact CG-CB 4.08Å; Y1188-H1257 AromaticContact CG-CG 3.7Å; Y1188-H1257 AromaticContact CG-ND1 3.47Å; Y1188-H1257 AromaticContact CZ-CD2 3.92Å; Y1188-H1257 AromaticContact CZ-CG 3.85Å; H1257-I1259 VanDerWaalsContact C-N 3.26Å; H1257-I1259 PolarHBondContact O-N 3.21Å
1258G84.1Confident81.6Confident55 Ų5545.8 Ų45.857%0.56727%0.266SS*.G310 helixtrans79.51.9-178.900000114.9A1256A1256-G1258 PolarHBondContact O-N 3.28Å
1259I90.8Very high82.2Confident1 Ų138.5 Ų38.51%0.00524%0.236CC..  trans-78.5143.8178.2-55.7-59.3000110Y1188 L1191 V1222 R1223 N1226 G1255 A1256 H1257 F1263 Y1264Y1188-I1259 HydrophobicContact CD2-CG1 4.45Å; Y1188-I1259 HydrophobicContact CE2-CG1 4.23Å; L1191-I1259 HydrophobicContact CD1-CG2 4.01Å; V1222-I1259 HydrophobicContact CG1-CD1 3.98Å; V1222-I1259 HydrophobicContact CG1-CG1 4.22Å; R1223-I1259 HydrophobicContact CG-CD1 4.01Å; N1226-I1259 HydrophobicContact CB-CD1 3.74Å; N1226-I1259 HydrophobicContact CB-CG2 4.2Å; G1255-I1259 WeakPolarHBondContact CA-O 3.45Å; A1256-I1259 PolarHBondContact O-N 3.03Å; A1256-I1259 VanDerWaalsContact O-N 3.09Å; H1257-I1259 VanDerWaalsContact C-N 3.26Å; H1257-I1259 PolarHBondContact O-N 3.21Å; I1259-F1263 HydrophobicContact CG2-CB 4.2Å; I1259-F1263 HydrophobicContact CG2-CD1 3.66Å; I1259-F1263 HydrophobicContact CG2-CG 4.38Å; I1259-Y1264 HydrophobicContact CB-CD2 4.32Å; I1259-Y1264 HydrophobicContact CB-CE2 3.52Å; I1259-Y1264 HydrophobicContact CG2-CD2 3.98Å; I1259-Y1264 HydrophobicContact CG2-CE2 3.63Å
1260C90.8Very high82.6Confident0 Ų035.5 Ų35.50%023%0.233CC..  trans-68138.6-178-173.60000112N1226 F1229 L1230 C1244 H1262 F1263 Y1264N1226-C1260 VanDerWaalsContact OD1-CB 3.32Å; N1226-C1260 WeakPolarHBondContact OD1-CB 3.3Å; N1226-C1260 PolarHBondContact OD1-N 2.9Å; F1229-C1260 HydrophobicContact CE1-CB 4.38Å; L1230-C1260 HydrophobicContact CD2-CB 4Å; C1244-C1260 HydrophobicContact CB-CB 4.27Å; C1260-H1262 PolarHBondContact O-N 3.2Å; C1260-F1263 HydrophobicContact CB-CB 4.19Å; C1260-F1263 WeakPolarHBondContact O-CB 3.18Å; C1260-F1263 PolarHBondContact O-N 2.83Å; C1260-Y1264 WeakPolarHBondContact O-CD2 3.48Å; C1260-Y1264 PolarHBondContact O-N 3.34Å; C1260-Y1264 VanDerWaalsContact O-N 3.1Å
1261K87.3Confident83.2Confident68 Ų6836.7 Ų36.730%0.29623%0.234SC..Hα-helixtrans-58.5-34.6176.8-165179.6-178.3-173.80112.9L1117 L1120 C1253 Y1264 D1265L1117-K1261 VanDerWaalsContact CD1-NZ 3.35Å; L1117-K1261 HydrophobicContact CD2-CD 4.25Å; L1117-K1261 HydrophobicContact CD2-CG 4.13Å; L1120-K1261 HydrophobicContact CD2-CD 4.46Å; L1120-K1261 HydrophobicContact CD2-CG 3.91Å; C1253-K1261 HydrophobicContact CB-CB 3.85Å; C1253-K1261 PolarHBondContact SG-N 2.91Å; K1261-Y1264 PolarHBondContact O-N 3.32Å; K1261-D1265 PolarHBondContact O-N 3.46Å; K1261-D1265 VanDerWaalsContact O-N 3.14Å
1262H89.4Confident84Confident22 Ų2239 Ų3910%0.10223%0.233CC..Hα-helixtrans-73.8-26.2175.7-59.3-93.7000112.6W1116 F1229 D1239 A1240 C1243 C1260 D1265 S1266W1116-H1262 AromaticContact CZ2-CE1 3.92Å; F1229-H1262 HydrophobicContact CE1-CB 4.16Å; F1229-H1262 HydrophobicContact CZ-CB 3.94Å; D1239-H1262 VanDerWaalsContact CB-ND1 3.28Å; D1239-H1262 WeakPolarHBondContact CB-ND1 3.37Å; A1240-H1262 HydrophobicContact CB-CB 4.32Å; C1243-H1262 VanDerWaalsContact SG-CD2 3.52Å; C1260-H1262 PolarHBondContact O-N 3.2Å; H1262-D1265 CarbonylContact O-C 3.14Å; H1262-D1265 PolarHBondContact O-N 2.79Å; H1262-S1266 PolarHBondContact O-N 3.18Å; H1262-S1266 PolarHBondContact O-OG 3.11Å
1263F92.6Very high84.8Confident0 Ų035.3 Ų35.30%021%0.207CC..Hα-helixtrans-71.6-42.1171.5-169.6-112.6000111L1191 A1225 N1226 F1229 I1259 C1260 D1265 S1266 T1274 Y1277L1191-F1263 HydrophobicContact CD1-CD1 4.07Å; L1191-F1263 HydrophobicContact CD1-CE1 4.19Å; A1225-F1263 HydrophobicContact CB-CE1 4.35Å; A1225-F1263 HydrophobicContact CB-CZ 3.81Å; N1226-F1263 HydrophobicContact CB-CD1 4.13Å; N1226-F1263 HydrophobicContact CB-CE1 4.42Å; N1226-F1263 HydrophobicContact CB-CG 4.44Å; F1229-F1263 HydrophobicContact CB-CD2 3.65Å; F1229-F1263 HydrophobicContact CB-CE2 3.95Å; F1229-F1263 HydrophobicContact CD1-CB 3.79Å; F1229-F1263 AromaticContact CD1-CD2 3.84Å; F1229-F1263 HydrophobicContact CD1-CD2 3.84Å; F1229-F1263 HydrophobicContact CD1-CG 4.21Å; F1229-F1263 AromaticContact CD2-CD2 3.72Å; F1229-F1263 HydrophobicContact CD2-CD2 3.72Å; F1229-F1263 HydrophobicContact CD2-CE2 4.38Å; F1229-F1263 HydrophobicContact CE1-CB 3.82Å; F1229-F1263 HydrophobicContact CE1-CD2 4.4Å; F1229-F1263 HydrophobicContact CE2-CD2 4.28Å; F1229-F1263 HydrophobicContact CG-CB 4.31Å; F1229-F1263 AromaticContact CG-CD2 3.46Å; F1229-F1263 HydrophobicContact CG-CD2 3.46Å; F1229-F1263 VanDerWaalsContact CG-CD2 3.46Å; F1229-F1263 HydrophobicContact CG-CE2 4.2Å; F1229-F1263 HydrophobicContact CG-CG 4.27Å; F1229-F1263 HydrophobicContact CZ-CB 4.36Å; I1259-F1263 HydrophobicContact CG2-CB 4.2Å; I1259-F1263 HydrophobicContact CG2-CD1 3.66Å; I1259-F1263 HydrophobicContact CG2-CG 4.38Å; C1260-F1263 HydrophobicContact CB-CB 4.19Å; C1260-F1263 WeakPolarHBondContact O-CB 3.18Å; C1260-F1263 PolarHBondContact O-N 2.83Å; F1263-D1265 PolarHBondContact O-N 3.32Å; F1263-S1266 PolarHBondContact O-N 2.92Å; F1263-S1266 VanDerWaalsContact O-N 3.16Å; F1263-T1274 HydrophobicContact CD2-CG2 4.27Å; F1263-T1274 HydrophobicContact CE1-CG2 4.22Å; F1263-T1274 HydrophobicContact CE2-CG2 3.97Å; F1263-T1274 HydrophobicContact CZ-CG2 3.94Å; F1263-T1274 VanDerWaalsContact O-CG2 3.32Å; F1263-T1274 WeakPolarHBondContact O-CG2 3.49Å; F1263-Y1277 AromaticContact CE2-CD2 3.89Å; F1263-Y1277 HydrophobicContact CE2-CD2 3.89Å; F1263-Y1277 HydrophobicContact CE2-CG 4.01Å
1264Y90.3Very high85.5Confident1 Ų134 Ų340%0.00420%0.198CC..Hα-helixtrans-60.5-21.4169-74.5-71000113.6W1119 L1120 R1123 E1187 Y1188 L1191 A1256 I1259 C1260 K1261W1119-Y1264 CarbonylContact C-O 3.52Å; L1120-Y1264 WeakPolarHBondContact CA-O 3.42Å; L1120-Y1264 HydrophobicContact CD1-CG 4.22Å; L1120-Y1264 PolarHBondContact N-O 3.21Å; R1123-Y1264 PolarHBondContact NH1-O 2.87Å; E1187-Y1264 HydrophobicContact CB-CD1 3.76Å; E1187-Y1264 HydrophobicContact CB-CE1 3.88Å; E1187-Y1264 HydrophobicContact CG-CD1 3.88Å; E1187-Y1264 HydrophobicContact CG-CE1 3.68Å; E1187-Y1264 HydrophobicContact CG-CG 4.45Å; Y1188-Y1264 WeakPolarHBondContact CD2-OH 3.33Å; L1191-Y1264 HydrophobicContact CD1-CD1 3.51Å; L1191-Y1264 HydrophobicContact CD1-CE1 3.32Å; L1191-Y1264 HydrophobicContact CD1-CG 4.34Å; L1191-Y1264 HydrophobicContact CG-CD1 3.91Å; L1191-Y1264 HydrophobicContact CG-CE1 3.86Å; A1256-Y1264 HydrophobicContact CB-CE2 4.39Å; A1256-Y1264 WeakPolarHBondContact CB-OH 3.26Å; A1256-Y1264 PolarHBondContact O-OH 2.59Å; I1259-Y1264 HydrophobicContact CB-CD2 4.32Å; I1259-Y1264 HydrophobicContact CB-CE2 3.52Å; I1259-Y1264 HydrophobicContact CG2-CD2 3.98Å; I1259-Y1264 HydrophobicContact CG2-CE2 3.63Å; C1260-Y1264 WeakPolarHBondContact O-CD2 3.48Å; C1260-Y1264 PolarHBondContact O-N 3.34Å; C1260-Y1264 VanDerWaalsContact O-N 3.1Å; K1261-Y1264 PolarHBondContact O-N 3.32Å
1265D89.2Confident86.4Confident32 Ų3232.5 Ų32.517%0.17118%0.182CC..THydrogen-bonded Turntrans-102.61.3177.8-155.541.7000114.6L1117 Q1118 W1119 L1120 K1261 H1262 F1263L1117-D1265 WeakPolarHBondContact CA-OD1 3.32Å; L1117-D1265 WeakPolarHBondContact CA-OD2 3.42Å; L1117-D1265 HydrophobicContact CD2-CB 4.21Å; L1117-D1265 PolarHBondContact N-OD2 3.34Å; Q1118-D1265 PolarHBondContact N-OD1 3.02Å; W1119-D1265 WeakPolarHBondContact CA-OD1 3.3Å; W1119-D1265 WeakPolarHBondContact CB-O 3.4Å; W1119-D1265 VanDerWaalsContact CD1-O 3.25Å; W1119-D1265 PolarHBondContact N-OD1 2.93Å; L1120-D1265 HydrophobicContact CB-CB 4.24Å; L1120-D1265 PolarHBondContact N-OD1 2.79Å; K1261-D1265 PolarHBondContact O-N 3.46Å; K1261-D1265 VanDerWaalsContact O-N 3.14Å; H1262-D1265 CarbonylContact O-C 3.14Å; H1262-D1265 PolarHBondContact O-N 2.79Å; F1263-D1265 PolarHBondContact O-N 3.32Å
1266S89.9Confident87Confident13 Ų1332.2 Ų32.29%0.09118%0.178CC..SBendtrans-74.3140.4174-62.60000109.8R1123 F1229 H1262 F1263R1123-S1266 PolarHBondContact NH1-O 3.34Å; R1123-S1266 PolarHBondContact NH2-O 3.39Å; F1229-S1266 WeakPolarHBondContact CE2-OG 3.47Å; H1262-S1266 PolarHBondContact O-N 3.18Å; H1262-S1266 PolarHBondContact O-OG 3.11Å; F1263-S1266 PolarHBondContact O-N 2.92Å; F1263-S1266 VanDerWaalsContact O-N 3.16Å
1267P88.7Confident87.7Confident48 Ų4832.1 Ų32.131%0.31218%0.177SC..  trans-59.7155.717925.6-34.8000111.2W1119 S1269 G1273 T1274W1119-P1267 HydrophobicContact CD2-CB 4.37Å; W1119-P1267 HydrophobicContact CZ2-CB 3.94Å; P1267-S1269 VanDerWaalsContact C-N 3.28Å; P1267-S1269 PolarHBondContact O-N 3.32Å; P1267-G1273 CarbonylContact O-C 3.49Å; P1267-G1273 WeakPolarHBondContact O-CA 3.39Å; P1267-T1274 PolarHBondContact O-N 2.85Å
1268P84.8Confident88.1Confident26 Ų2628.4 Ų28.417%0.16916%0.16CC..SBendtrans-59.6-36.3177.8-27.835.9000113.8W1119 T1274 I1275W1119-P1268 VanDerWaalsContact CE3-CD 3.49Å; W1119-P1268 HydrophobicContact CE3-CG 4.19Å; W1119-P1268 VanDerWaalsContact CZ3-CD 3.42Å; W1119-P1268 HydrophobicContact CZ3-CG 3.99Å; P1268-T1274 WeakPolarHBondContact CA-OG1 3.35Å; P1268-I1275 HydrophobicContact CB-CD1 4.28Å; P1268-I1275 WeakPolarHBondContact O-CB 3.49Å; P1268-I1275 WeakPolarHBondContact O-CD1 3.16Å; P1268-I1275 WeakPolarHBondContact O-CG1 3.41Å; P1268-I1275 PolarHBondContact O-N 2.98Å
1269S81.2Confident88.3Confident37 Ų3726 Ų2626%0.25913%0.134SC..SBendtrans-131.8147.5-169.257.10000113P1267P1267-S1269 VanDerWaalsContact C-N 3.28Å; P1267-S1269 PolarHBondContact O-N 3.32Å
1270G80.5Confident88.1Confident36 Ų3629.4 Ų29.437%0.37115%0.147SC..SBendtrans119.1170-177.900000111Y1272 G1273 T1276G1270-Y1272 PolarHBondContact O-N 3.18Å; G1270-G1273 WeakPolarHBondContact O-CA 3.35Å; G1270-G1273 PolarHBondContact O-N 3.44Å; G1270-T1276 PolarHBondContact O-OG1 3.35Å
1271R80.6Confident88.1Confident164 Ų16429.4 Ų29.462%0.61915%0.147SC*.THydrogen-bonded Turntrans-48.9-38.3-173.2175.6173.3162.8167.2-9.6114.5E1236E1236-R1271 IonicContact OE1-NH2 3.84Å; E1236-R1271 PolarHBondContact OE1-NH2 3.37Å
1272Y84.8Confident88Confident82 Ų8226.2 Ų26.232%0.32213%0.133SC..THydrogen-bonded Turntrans-106.818.6178.7-50-87.1000112.9E1236 G1270 Y1277E1236-Y1272 VanDerWaalsContact CD-OH 3.31Å; E1236-Y1272 PolarHBondContact OE1-OH 3.48Å; E1236-Y1272 WeakPolarHBondContact OE2-CE1 3.39Å; E1236-Y1272 PolarHBondContact OE2-OH 2.86Å; G1270-Y1272 PolarHBondContact O-N 3.18Å; Y1272-Y1277 WeakPolarHBondContact O-CE2 3.3Å
1273G88.5Confident87.7Confident0 Ų026.6 Ų26.60%014%0.137CC..SBendtrans-82.5154.6-178.400000113.2P1267 G1270 I1275 T1276 Y1277P1267-G1273 CarbonylContact O-C 3.49Å; P1267-G1273 WeakPolarHBondContact O-CA 3.39Å; G1270-G1273 WeakPolarHBondContact O-CA 3.35Å; G1270-G1273 PolarHBondContact O-N 3.44Å; G1273-I1275 VanDerWaalsContact C-N 3.3Å; G1273-I1275 PolarHBondContact O-N 2.7Å; G1273-T1276 PolarHBondContact O-N 3.12Å; G1273-T1276 VanDerWaalsContact O-N 3.12Å; G1273-Y1277 VanDerWaalsContact O-CD2 3.27Å; G1273-Y1277 WeakPolarHBondContact O-CD2 3.25Å; G1273-Y1277 PolarHBondContact O-N 2.9Å
1274T92.1Very high87.3Confident0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-60-36.8-175.651.60000113R1123 L1191 E1194 F1263 P1267 P1268 T1276 Y1277 M1278R1123-T1274 PolarHBondContact NH2-OG1 2.9Å; L1191-T1274 HydrophobicContact CD2-CG2 4.15Å; E1194-T1274 WeakPolarHBondContact OE2-CB 3.35Å; E1194-T1274 PolarHBondContact OE2-OG1 3.44Å; F1263-T1274 HydrophobicContact CD2-CG2 4.27Å; F1263-T1274 HydrophobicContact CE1-CG2 4.22Å; F1263-T1274 HydrophobicContact CE2-CG2 3.97Å; F1263-T1274 HydrophobicContact CZ-CG2 3.94Å; F1263-T1274 VanDerWaalsContact O-CG2 3.32Å; F1263-T1274 WeakPolarHBondContact O-CG2 3.49Å; P1267-T1274 PolarHBondContact O-N 2.85Å; P1268-T1274 WeakPolarHBondContact CA-OG1 3.35Å; T1274-T1276 PolarHBondContact O-N 3.22Å; T1274-Y1277 PolarHBondContact O-N 3.31Å; T1274-M1278 WeakPolarHBondContact O-CB 3.44Å; T1274-M1278 WeakPolarHBondContact O-CG 3.35Å; T1274-M1278 PolarHBondContact O-N 2.85Å
1275I89.8Confident86.9Confident4 Ų433.6 Ų33.62%0.02118%0.179CC..Hα-helixtrans-60.7-45.7175.8-70.7169.3000110.8I1086 L1089 V1198 P1268 G1273 Y1277 M1278 C1279I1086-I1275 HydrophobicContact CG1-CD1 4Å; L1089-I1275 HydrophobicContact CD1-CD1 4.13Å; L1089-I1275 HydrophobicContact CD1-CG2 3.83Å; V1198-I1275 HydrophobicContact CG2-CB 4.36Å; V1198-I1275 HydrophobicContact CG2-CG1 4.27Å; V1198-I1275 HydrophobicContact CG2-CG2 3.83Å; P1268-I1275 HydrophobicContact CB-CD1 4.28Å; P1268-I1275 WeakPolarHBondContact O-CB 3.49Å; P1268-I1275 WeakPolarHBondContact O-CD1 3.16Å; P1268-I1275 WeakPolarHBondContact O-CG1 3.41Å; P1268-I1275 PolarHBondContact O-N 2.98Å; G1273-I1275 VanDerWaalsContact C-N 3.3Å; G1273-I1275 PolarHBondContact O-N 2.7Å; I1275-Y1277 VanDerWaalsContact C-N 3.33Å; I1275-Y1277 PolarHBondContact O-N 2.89Å; I1275-M1278 CarbonylContact O-C 3.59Å; I1275-M1278 WeakPolarHBondContact O-CA 3.39Å; I1275-M1278 WeakPolarHBondContact O-CB 3.28Å; I1275-M1278 PolarHBondContact O-N 3.14Å; I1275-C1279 PolarHBondContact O-N 2.91Å; I1275-C1279 PolarHBondContact O-SG 3.28Å
1276T88.7Confident86.1Confident7 Ų733 Ų334%0.04318%0.176CC..Hα-helixtrans-63-40-178.5-56.10000111.5G1270 G1273 T1274 C1279 R1280 S1298G1270-T1276 PolarHBondContact O-OG1 3.35Å; G1273-T1276 PolarHBondContact O-N 3.12Å; G1273-T1276 VanDerWaalsContact O-N 3.12Å; T1274-T1276 PolarHBondContact O-N 3.22Å; T1276-C1279 PolarHBondContact O-N 3.31Å; T1276-R1280 PolarHBondContact O-N 3.19Å; T1276-R1280 VanDerWaalsContact O-N 3.14Å; T1276-S1298 PolarHBondContact OG1-OXT 2.83Å
1277Y93.5Very high84.8Confident0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-69.6-35171-72.8-70.1000113.7A1225 I1228 F1229 D1232 F1263 Y1272 G1273 T1274 I1275 R1280 G1281A1225-Y1277 WeakPolarHBondContact CA-O 3.24Å; A1225-Y1277 WeakPolarHBondContact CB-O 3.11Å; I1228-Y1277 HydrophobicContact CB-CD1 4.18Å; I1228-Y1277 HydrophobicContact CG2-CD1 3.8Å; I1228-Y1277 HydrophobicContact CG2-CE1 4.04Å; F1229-Y1277 VanDerWaalsContact CA-CE1 3.44Å; F1229-Y1277 HydrophobicContact CB-CD1 3.99Å; F1229-Y1277 HydrophobicContact CB-CD2 4.24Å; F1229-Y1277 HydrophobicContact CB-CE1 4.01Å; F1229-Y1277 HydrophobicContact CB-CE2 4.26Å; F1229-Y1277 HydrophobicContact CB-CG 4.12Å; F1229-Y1277 HydrophobicContact CD2-CD2 4.09Å; F1229-Y1277 AromaticContact CD2-CE2 3.6Å; F1229-Y1277 HydrophobicContact CD2-CE2 3.6Å; F1229-Y1277 AromaticContact CD2-CZ 3.9Å; F1229-Y1277 HydrophobicContact CG-CE2 4.42Å; D1232-Y1277 HydrophobicContact CB-CE1 4.13Å; D1232-Y1277 WeakPolarHBondContact CB-OH 3.47Å; D1232-Y1277 WeakPolarHBondContact OD2-CE1 3.43Å; D1232-Y1277 PolarHBondContact OD2-OH 2.93Å; F1263-Y1277 AromaticContact CE2-CD2 3.89Å; F1263-Y1277 HydrophobicContact CE2-CD2 3.89Å; F1263-Y1277 HydrophobicContact CE2-CG 4.01Å; Y1272-Y1277 WeakPolarHBondContact O-CE2 3.3Å; G1273-Y1277 VanDerWaalsContact O-CD2 3.27Å; G1273-Y1277 WeakPolarHBondContact O-CD2 3.25Å; G1273-Y1277 PolarHBondContact O-N 2.9Å; T1274-Y1277 PolarHBondContact O-N 3.31Å; I1275-Y1277 VanDerWaalsContact C-N 3.33Å; I1275-Y1277 PolarHBondContact O-N 2.89Å; Y1277-R1280 VanDerWaalsContact CE1-NH1 3.27Å; Y1277-R1280 PolarHBondContact O-N 3.35Å; Y1277-G1281 PolarHBondContact O-N 3.32Å
1278M92.8Very high83.6Confident0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-64.7-39.6173.1-75.1171.2-170.700111.7L1191 E1194 V1195 V1198 V1222 A1225 T1274 I1275 G1281 V1282L1191-M1278 HydrophobicContact CB-CE 4.07Å; L1191-M1278 HydrophobicContact CD2-CE 3.83Å; L1191-M1278 HydrophobicContact CG-CE 4.47Å; L1191-M1278 WeakPolarHBondContact O-CE 3.28Å; E1194-M1278 HydrophobicContact CB-CE 3.9Å; E1194-M1278 HydrophobicContact CB-SD 3.81Å; V1195-M1278 HydrophobicContact CB-CE 4.37Å; V1195-M1278 HydrophobicContact CB-CG 4.29Å; V1195-M1278 HydrophobicContact CB-SD 3.71Å; V1195-M1278 HydrophobicContact CG2-CB 4.1Å; V1195-M1278 HydrophobicContact CG2-CG 3.87Å; V1195-M1278 HydrophobicContact CG2-SD 3.95Å; V1195-M1278 PolarHBondContact N-SD 3.24Å; V1198-M1278 HydrophobicContact CG2-CB 4.12Å; V1222-M1278 HydrophobicContact CG2-CE 4.38Å; A1225-M1278 HydrophobicContact CB-CG 4.06Å; T1274-M1278 WeakPolarHBondContact O-CB 3.44Å; T1274-M1278 WeakPolarHBondContact O-CG 3.35Å; T1274-M1278 PolarHBondContact O-N 2.85Å; I1275-M1278 CarbonylContact O-C 3.59Å; I1275-M1278 WeakPolarHBondContact O-CA 3.39Å; I1275-M1278 WeakPolarHBondContact O-CB 3.28Å; I1275-M1278 PolarHBondContact O-N 3.14Å; M1278-G1281 CarbonylContact O-C 3.56Å; M1278-G1281 WeakPolarHBondContact O-CA 3.38Å; M1278-G1281 PolarHBondContact O-N 3.27Å; M1278-V1282 WeakPolarHBondContact O-CG2 3.37Å; M1278-V1282 PolarHBondContact O-N 3.33Å
1279C87Confident82.5Confident4 Ų440.7 Ų40.73%0.02721%0.214CC..Hα-helixtrans-62.1-48.9174-65.50000111.7V1198 I1275 T1276 G1281 V1282 V1283 I1293 V1297V1198-C1279 VanDerWaalsContact CG1-SG 3.55Å; I1275-C1279 PolarHBondContact O-N 2.91Å; I1275-C1279 PolarHBondContact O-SG 3.28Å; T1276-C1279 PolarHBondContact O-N 3.31Å; C1279-G1281 PolarHBondContact O-N 3.36Å; C1279-V1282 PolarHBondContact O-N 3.05Å; C1279-V1282 VanDerWaalsContact O-N 3.12Å; C1279-V1283 WeakPolarHBondContact O-CG2 3.34Å; C1279-V1283 PolarHBondContact O-N 2.96Å; C1279-I1293 HydrophobicContact CB-CG2 4.36Å; C1279-V1297 HydrophobicContact CB-CB 4.36Å; C1279-V1297 WeakPolarHBondContact SG-CG1 3.48Å
1280R88Confident81.2Confident74 Ų7440.9 Ų40.928%0.27922%0.222SC..Hα-helixtrans-60.3-35.1172.9-70.8165.669.8-159.11.1111.9I1228 D1232 T1276 Y1277 C1284I1228-R1280 HydrophobicContact CD1-CB 4.04Å; I1228-R1280 VanDerWaalsContact CG2-NH2 3.32Å; D1232-R1280 IonicContact OD1-CZ 3.06Å; D1232-R1280 IonicContact OD1-NH1 3.67Å; D1232-R1280 IonicContact OD1-NH2 3.77Å; D1232-R1280 PolarHBondContact OD1-NH2 2.9Å; D1232-R1280 IonicContact OD2-CZ 3.16Å; D1232-R1280 IonicContact OD2-NH1 2.85Å; D1232-R1280 PolarHBondContact OD2-NH1 3.39Å; D1232-R1280 IonicContact OD2-NH2 2.78Å; D1232-R1280 PolarHBondContact OD2-NH2 3.38Å; T1276-R1280 PolarHBondContact O-N 3.19Å; T1276-R1280 VanDerWaalsContact O-N 3.14Å; Y1277-R1280 VanDerWaalsContact CE1-NH1 3.27Å; Y1277-R1280 PolarHBondContact O-N 3.35Å; R1280-C1284 VanDerWaalsContact O-CB 3.27Å; R1280-C1284 WeakPolarHBondContact O-CB 3.35Å; R1280-C1284 PolarHBondContact O-N 3.39Å
1281G89.8Confident79.8Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-65.6-38.8172.500000114Y1277 M1278 C1279 L1285Y1277-G1281 PolarHBondContact O-N 3.32Å; M1278-G1281 CarbonylContact O-C 3.56Å; M1278-G1281 WeakPolarHBondContact O-CA 3.38Å; M1278-G1281 PolarHBondContact O-N 3.27Å; C1279-G1281 PolarHBondContact O-N 3.36Å; G1281-L1285 WeakPolarHBondContact O-CB 3.41Å; G1281-L1285 WeakPolarHBondContact O-CG 3.26Å; G1281-L1285 PolarHBondContact O-N 2.71Å
1282V86.4Confident78.3Confident1 Ų145 Ų451%0.00624%0.244CC..Hα-helixtrans-64.8-50.2174.1168.20000110.5V1198 L1199 I1221 M1278 C1279 C1284 L1285 V1286 L1289V1198-V1282 HydrophobicContact CG1-CG2 4.23Å; L1199-V1282 HydrophobicContact CD2-CG2 4.05Å; I1221-V1282 HydrophobicContact CD1-CG2 4.03Å; I1221-V1282 HydrophobicContact CG1-CG2 4.33Å; I1221-V1282 HydrophobicContact CG2-CG2 3.69Å; M1278-V1282 WeakPolarHBondContact O-CG2 3.37Å; M1278-V1282 PolarHBondContact O-N 3.33Å; C1279-V1282 PolarHBondContact O-N 3.05Å; C1279-V1282 VanDerWaalsContact O-N 3.12Å; V1282-C1284 VanDerWaalsContact C-N 3.31Å; V1282-C1284 PolarHBondContact O-N 2.99Å; V1282-L1285 PolarHBondContact O-N 3.13Å; V1282-L1285 VanDerWaalsContact O-N 3.13Å; V1282-V1286 WeakPolarHBondContact O-CB 3.42Å; V1282-V1286 PolarHBondContact O-N 2.88Å; V1282-L1289 HydrophobicContact CG1-CD1 3.51Å
1283V81.9Confident76.6Confident29 Ų2941.4 Ų41.418%0.17623%0.23CC..Hα-helixtrans-55.8-46.2177.2174.70000111.2C1279 L1285 I1293C1279-V1283 WeakPolarHBondContact O-CG2 3.34Å; C1279-V1283 PolarHBondContact O-N 2.96Å; V1283-L1285 VanDerWaalsContact C-N 3.26Å; V1283-L1285 PolarHBondContact O-N 2.93Å; V1283-I1293 HydrophobicContact CG2-CB 3.55Å; V1283-I1293 HydrophobicContact CG2-CD1 3.98Å; V1283-I1293 HydrophobicContact CG2-CG1 4.25Å; V1283-I1293 HydrophobicContact CG2-CG2 3.52Å
1284C84.1Confident74.5Confident72 Ų7248 Ų4849%0.48626%0.261SS..Hα-helixtrans-68-21.4-178.7-170.90000114.1K1224 R1280 V1282K1224-C1284 WeakPolarHBondContact CE-SG 3.44Å; K1224-C1284 HydrophobicContact CG-CB 4.29Å; R1280-C1284 VanDerWaalsContact O-CB 3.27Å; R1280-C1284 WeakPolarHBondContact O-CB 3.35Å; R1280-C1284 PolarHBondContact O-N 3.39Å; V1282-C1284 VanDerWaalsContact C-N 3.31Å; V1282-C1284 PolarHBondContact O-N 2.99Å
1285L82.9Confident72.2Confident76 Ų7652.6 Ų52.640%0.39829%0.291SS..Hα-helixtrans-105.7-14.7-179.4-68.2176.4000114.4N1220 I1221 K1224 G1281 V1282 V1283N1220-L1285 HydrophobicContact CB-CD1 4.1Å; I1221-L1285 HydrophobicContact CB-CD1 4.28Å; I1221-L1285 HydrophobicContact CG1-CD1 3.79Å; K1224-L1285 HydrophobicContact CB-CD1 3.87Å; K1224-L1285 HydrophobicContact CB-CG 4.2Å; K1224-L1285 HydrophobicContact CG-CD1 4.42Å; K1224-L1285 HydrophobicContact CG-CD2 4.43Å; K1224-L1285 HydrophobicContact CG-CG 4.2Å; G1281-L1285 WeakPolarHBondContact O-CB 3.41Å; G1281-L1285 WeakPolarHBondContact O-CG 3.26Å; G1281-L1285 PolarHBondContact O-N 2.71Å; V1282-L1285 PolarHBondContact O-N 3.13Å; V1282-L1285 VanDerWaalsContact O-N 3.13Å; V1283-L1285 VanDerWaalsContact C-N 3.26Å; V1283-L1285 PolarHBondContact O-N 2.93Å
1286V72Confident69.9Low19 Ų1954.5 Ų54.512%0.11531%0.305CS..  trans-122.685.7177.4-176.80000107.5V1282 Q1288 L1289V1282-V1286 WeakPolarHBondContact O-CB 3.42Å; V1282-V1286 PolarHBondContact O-N 2.88Å; V1286-Q1288 HydrophobicContact CG1-CB 4.31Å; V1286-Q1288 PolarHBondContact O-N 2.86Å; V1286-L1289 HydrophobicContact CB-CD1 4.04Å; V1286-L1289 HydrophobicContact CB-CG 4.46Å; V1286-L1289 HydrophobicContact CG1-CD1 4Å; V1286-L1289 HydrophobicContact CG1-CG 4.11Å; V1286-L1289 WeakPolarHBondContact O-CB 3.39Å; V1286-L1289 PolarHBondContact O-N 3.07Å
1287P63.2Low67.7Low116 Ų11654.6 Ų54.675%0.75331%0.306SS*.G310 helixtrans-61-11.7-173.2-25.735.7000115.1L1289P1287-L1289 PolarHBondContact O-N 3.39Å
1288Q62.6Low64.9Low128 Ų12857.8 Ų57.860%0.59833%0.328SS*.G310 helixtrans-71.7-6.7172.7-61.7172.3-6.900112.9L1209 S1210 V1286L1209-Q1288 HydrophobicContact CD2-CB 4.14Å; S1210-Q1288 PolarHBondContact O-OE1 2.88Å; V1286-Q1288 HydrophobicContact CG1-CB 4.31Å; V1286-Q1288 PolarHBondContact O-N 2.86Å
1289L61.3Low63.5Low6 Ų660.7 Ų60.73%0.03134%0.344CS..G310 helixtrans-107.722178.6-70.8173.9000113.5V1202 L1209 V1282 V1286 P1287 D1291 I1293V1202-L1289 HydrophobicContact CG1-CD1 3.91Å; V1202-L1289 HydrophobicContact CG1-CD2 4.16Å; L1209-L1289 HydrophobicContact CD1-CD2 3.41Å; L1209-L1289 VanDerWaalsContact CD1-CD2 3.41Å; L1209-L1289 HydrophobicContact CD2-CD2 3.54Å; L1209-L1289 HydrophobicContact CD2-CG 3.93Å; L1209-L1289 HydrophobicContact CG-CD2 4.01Å; V1282-L1289 HydrophobicContact CG1-CD1 3.51Å; V1286-L1289 HydrophobicContact CB-CD1 4.04Å; V1286-L1289 HydrophobicContact CB-CG 4.46Å; V1286-L1289 HydrophobicContact CG1-CD1 4Å; V1286-L1289 HydrophobicContact CG1-CG 4.11Å; V1286-L1289 WeakPolarHBondContact O-CB 3.39Å; V1286-L1289 PolarHBondContact O-N 3.07Å; P1287-L1289 PolarHBondContact O-N 3.39Å; L1289-D1291 PolarHBondContact O-N 3.14Å; L1289-I1293 HydrophobicContact CB-CD1 4.2Å; L1289-I1293 HydrophobicContact CD1-CD1 4.08Å; L1289-I1293 HydrophobicContact CD2-CD1 3.91Å; L1289-I1293 HydrophobicContact CG-CD1 4.31Å
1290G55.6Low62.2Low41 Ų4163.6 Ų63.642%0.42336%0.361SS..THydrogen-bonded Turntrans-55.6135.8-177.600000113.7E1292G1290-E1292 PolarHBondContact O-N 3.25Å
1291D50.4Low60.8Low143 Ų14363.1 Ų63.177%0.76537%0.365SS*.THydrogen-bonded Turntrans54.8-28.9172.3-57.32.6000118.9L1289 I1293L1289-D1291 PolarHBondContact O-N 3.14Å; D1291-I1293 VanDerWaalsContact C-N 3.26Å; D1291-I1293 PolarHBondContact O-N 3.34Å
1292E48.2Very low59.1Low144 Ų14466.8 Ų66.867%0.67339%0.387SS*.THydrogen-bonded Turntrans-66.7-20-176.5-68.3-164.616300114.8H1206 G1290H1206-E1292 IonicContact CE1-OE2 3.52Å; H1206-E1292 IonicContact ND1-OE2 2.77Å; G1290-E1292 PolarHBondContact O-N 3.25Å
1293I50.8Low57.4Low6 Ų670.9 Ų70.93%0.03141%0.411CS..THydrogen-bonded Turntrans-90.4-19.6-174.1-75.7-175000113.9V1202 C1279 V1283 L1289 D1291 C1295 S1296 V1297V1202-I1293 HydrophobicContact CG1-CD1 4.2Å; V1202-I1293 HydrophobicContact CG2-CD1 4.21Å; C1279-I1293 HydrophobicContact CB-CG2 4.36Å; V1283-I1293 HydrophobicContact CG2-CB 3.55Å; V1283-I1293 HydrophobicContact CG2-CD1 3.98Å; V1283-I1293 HydrophobicContact CG2-CG1 4.25Å; V1283-I1293 HydrophobicContact CG2-CG2 3.52Å; L1289-I1293 HydrophobicContact CB-CD1 4.2Å; L1289-I1293 HydrophobicContact CD1-CD1 4.08Å; L1289-I1293 HydrophobicContact CD2-CD1 3.91Å; L1289-I1293 HydrophobicContact CG-CD1 4.31Å; D1291-I1293 VanDerWaalsContact C-N 3.26Å; D1291-I1293 PolarHBondContact O-N 3.34Å; I1293-C1295 PolarHBondContact O-N 3.36Å; I1293-S1296 PolarHBondContact O-N 3.28Å; I1293-S1296 PolarHBondContact O-OG 3.45Å; I1293-V1297 HydrophobicContact CG2-CG2 4.32Å
1294E44Very low55.8Low139 Ų13973.7 Ų73.765%0.6543%0.426SS*.THydrogen-bonded Turntrans-61.9-15.9-166.4-72.8-143.2127.900115.9
1295C42.9Very low53.8Low95 Ų9573.8 Ų73.864%0.64242%0.422SS*.THydrogen-bonded Turntrans-119.4-9-178.8-162.40000114.9R1096 I1293R1096-C1295 PolarHBondContact NH1-O 3.07Å; I1293-C1295 PolarHBondContact O-N 3.36Å
1296S41.9Very low51.5Low45 Ų4573.6 Ų73.632%0.31542%0.424SS..THydrogen-bonded Turntrans-94.3-34.2-169.156.30000114.1L1093 I1293L1093-S1296 WeakPolarHBondContact CD2-O 3.48Å; I1293-S1296 PolarHBondContact O-N 3.28Å; I1293-S1296 PolarHBondContact O-OG 3.45Å
1297V42.6Very low49.8Very low8 Ų878.2 Ų78.25%0.04845%0.45CS..  trans-116.84.2-173.1-149.30000113.7L1089 C1279 I1293L1089-V1297 HydrophobicContact CD2-CG1 4.28Å; C1279-V1297 HydrophobicContact CB-CB 4.36Å; C1279-V1297 WeakPolarHBondContact SG-CG1 3.48Å; I1293-V1297 HydrophobicContact CG2-CG2 4.32Å
1298S34.2Very low48.6Very low67 Ų6774.7 Ų74.747%0.46942%0.422SS..  trans-86.60-172.864.50000115.3T1276T1276-S1298 PolarHBondContact OG1-OXT 2.83Å

Retrieved 1,298 of 1,298 residues in 1706.1 ms (Link to these results)

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