A0A087WYF4_HUMAN Loading...

Zinc finger protein 302

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WYF4, Species HUMAN (Homo sapiens, Human), Gene ZNF302, Length 400 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
1M42.5Very low60.1Low243 Ų24395 Ų95100%1.19754%0.537SS*.  0127.20-71.2178.7169.400106.4Q3M1-Q3 PolarHBondContact O-N 3.11Å
2S50Low60Low118 Ų11896.8 Ų96.883%0.82554%0.544SS*.PPolyproline II helixtrans-65.6127.3177.846.80000109.3V4S2-V4 PolarHBondContact O-N 3.21Å
3Q58.3Low60.1Low142 Ų14295.4 Ų95.466%0.66453%0.529SS*.PPolyproline II helixtrans-71.9122.8177.6-172.4170.2-3.100108.7M1M1-Q3 PolarHBondContact O-N 3.11Å
4V59.7Low60.1Low83 Ų8392.1 Ų92.150%0.50352%0.515SS..PPolyproline II helixtrans-72.5126.6178.2-179.80000108.4S2 D8 V9 L40S2-V4 PolarHBondContact O-N 3.21Å; V4-D8 HydrophobicContact CG1-CB 4.16Å; V4-V9 HydrophobicContact CG1-CG1 4.03Å; V4-L40 HydrophobicContact CB-CD2 4.43Å; V4-L40 HydrophobicContact CG1-CD2 3.96Å
5T64.8Low59.4Low68 Ų6892.1 Ų92.142%0.41751%0.51SS..PPolyproline II helixtrans-102.8166.4-179.570.30000111.4S7 D8T5-S7 VanDerWaalsContact C-N 3.27Å; T5-S7 PolarHBondContact O-N 2.98Å; T5-D8 WeakPolarHBondContact CB-OD2 3.26Å; T5-D8 PolarHBondContact N-OD2 3.07Å; T5-D8 WeakPolarHBondContact O-CB 3.48Å; T5-D8 PolarHBondContact O-N 2.79Å; T5-D8 VanDerWaalsContact O-N 3.12Å; T5-D8 PolarHBondContact OG1-OD2 2.99Å
6F62.7Low59.2Low22 Ų2294.2 Ų94.210%0.09651%0.514CS..Hα-helixtrans-59.5-38176.6-174.5-100.2000112.5D8 V9 A10 M33 N36 Y37 L40 P51 I54F6-D8 PolarHBondContact O-N 3.34Å; F6-V9 CarbonylContact O-C 3.58Å; F6-V9 WeakPolarHBondContact O-CG2 3.26Å; F6-V9 PolarHBondContact O-N 2.92Å; F6-V9 VanDerWaalsContact O-N 3.11Å; F6-A10 HydrophobicContact CD1-CB 3.89Å; F6-A10 HydrophobicContact CE1-CB 3.63Å; F6-A10 HydrophobicContact CZ-CB 4.11Å; F6-A10 WeakPolarHBondContact O-CB 3.32Å; F6-A10 PolarHBondContact O-N 2.7Å; F6-M33 HydrophobicContact CE1-CE 4.06Å; F6-M33 HydrophobicContact CZ-CE 3.84Å; F6-N36 HydrophobicContact CE2-CB 4.46Å; F6-Y37 HydrophobicContact CD2-CD2 4.28Å; F6-L40 HydrophobicContact CB-CD1 3.93Å; F6-L40 HydrophobicContact CD2-CD1 3.77Å; F6-L40 HydrophobicContact CG-CD1 4.31Å; F6-P51 HydrophobicContact CB-CG 3.84Å; F6-P51 HydrophobicContact CD1-CB 3.73Å; F6-P51 HydrophobicContact CD1-CG 3.47Å; F6-P51 VanDerWaalsContact CD1-CG 3.47Å; F6-P51 HydrophobicContact CD2-CG 4.03Å; F6-P51 HydrophobicContact CE1-CB 3.98Å; F6-P51 HydrophobicContact CE1-CG 4.02Å; F6-P51 HydrophobicContact CG-CB 4.27Å; F6-P51 HydrophobicContact CG-CG 3.48Å; F6-P51 VanDerWaalsContact CG-CG 3.48Å; F6-I54 HydrophobicContact CE1-CD1 4.33Å; F6-I54 HydrophobicContact CE1-CG1 4.19Å; F6-I54 HydrophobicContact CE2-CD1 3.92Å; F6-I54 HydrophobicContact CE2-CG1 4Å; F6-I54 HydrophobicContact CZ-CD1 3.46Å; F6-I54 VanDerWaalsContact CZ-CD1 3.46Å; F6-I54 HydrophobicContact CZ-CG1 3.65Å
7S59.2Low59Low96 Ų9694.8 Ų94.867%0.67151%0.513SS*.Hα-helixtrans-63.7-22177.5-52.40000113.8T5 V9T5-S7 VanDerWaalsContact C-N 3.27Å; T5-S7 PolarHBondContact O-N 2.98Å; S7-V9 VanDerWaalsContact C-N 3.31Å
8D64.3Low59.6Low110 Ų11089.8 Ų89.859%0.58849%0.485SS*.Hα-helixtrans-77.7-19.2177.9-60-51.9000112.9V4 T5 F6V4-D8 HydrophobicContact CG1-CB 4.16Å; T5-D8 WeakPolarHBondContact CB-OD2 3.26Å; T5-D8 PolarHBondContact N-OD2 3.07Å; T5-D8 WeakPolarHBondContact O-CB 3.48Å; T5-D8 PolarHBondContact O-N 2.79Å; T5-D8 VanDerWaalsContact O-N 3.12Å; T5-D8 PolarHBondContact OG1-OD2 2.99Å; F6-D8 PolarHBondContact O-N 3.34Å
9V63.6Low59.8Low50 Ų5088.3 Ų88.330%0.30349%0.486SS..Hα-helixtrans-122.1-6.6-178-56.90000113V4 F6 S7 N36 L40V4-V9 HydrophobicContact CG1-CG1 4.03Å; F6-V9 CarbonylContact O-C 3.58Å; F6-V9 WeakPolarHBondContact O-CG2 3.26Å; F6-V9 PolarHBondContact O-N 2.92Å; F6-V9 VanDerWaalsContact O-N 3.11Å; S7-V9 VanDerWaalsContact C-N 3.31Å; V9-N36 HydrophobicContact CG2-CB 4.22Å; V9-N36 PolarHBondContact O-ND2 3.06Å; V9-L40 HydrophobicContact CG2-CD1 3.29Å; V9-L40 HydrophobicContact CG2-CD2 4.49Å; V9-L40 HydrophobicContact CG2-CG 4.05Å
10A66.4Low60.2Low19 Ų1989.3 Ų89.316%0.15750%0.498CS..PPolyproline II helixtrans-74.7137.417300000109.6F6 M33F6-A10 HydrophobicContact CD1-CB 3.89Å; F6-A10 HydrophobicContact CE1-CB 3.63Å; F6-A10 HydrophobicContact CZ-CB 4.11Å; F6-A10 WeakPolarHBondContact O-CB 3.32Å; F6-A10 PolarHBondContact O-N 2.7Å; A10-M33 HydrophobicContact CB-CE 3.52Å; A10-M33 HydrophobicContact CB-SD 4.45Å
11I69.8Low60.4Low94 Ų9486.3 Ų86.348%0.48248%0.482SS..PPolyproline II helixtrans-102.1119.9167.5-62.2175.8000105.4F13 Y29 M33I11-F13 HydrophobicContact CG2-CE2 4.37Å; I11-F13 HydrophobicContact CG2-CZ 4.35Å; I11-Y29 HydrophobicContact CB-CE2 4.36Å; I11-Y29 WeakPolarHBondContact O-CE2 3.2Å; I11-Y29 VanDerWaalsContact O-CZ 3.25Å; I11-Y29 PolarHBondContact O-OH 2.87Å; I11-M33 HydrophobicContact CB-SD 4.47Å; I11-M33 PolarHBondContact N-SD 3.2Å; I11-M33 VanDerWaalsContact N-SD 3.42Å; I11-M33 WeakPolarHBondContact O-CE 3.42Å
12D59.3Low61.7Low117 Ų11779 Ų7963%0.62645%0.447SS*.PPolyproline II helixtrans-99.9139.1175-66.7-36.8000109.4
13F61Low62.4Low78 Ų7877.5 Ų77.534%0.34244%0.437SS..  trans-110.9137.1173.5-76-66.5000109.4I11 E17 W18 L21 Y29I11-F13 HydrophobicContact CG2-CE2 4.37Å; I11-F13 HydrophobicContact CG2-CZ 4.35Å; F13-E17 HydrophobicContact CB-CB 4.35Å; F13-E17 HydrophobicContact CD1-CB 3.76Å; F13-W18 HydrophobicContact CB-CB 4.26Å; F13-W18 HydrophobicContact CB-CE3 3.95Å; F13-W18 AromaticContact CD2-CE3 3.7Å; F13-W18 HydrophobicContact CD2-CE3 3.7Å; F13-W18 AromaticContact CD2-CZ3 3.95Å; F13-W18 HydrophobicContact CD2-CZ3 3.95Å; F13-W18 HydrophobicContact CG-CE3 4.17Å; F13-L21 HydrophobicContact CD2-CD1 3.93Å; F13-L21 HydrophobicContact CE1-CD1 4.48Å; F13-L21 HydrophobicContact CE2-CD1 3.69Å; F13-L21 HydrophobicContact CG-CD1 4.4Å; F13-L21 HydrophobicContact CZ-CD1 4Å; F13-L21 HydrophobicContact CZ-CD2 4.38Å; F13-Y29 AromaticContact CD2-CD2 3.66Å; F13-Y29 HydrophobicContact CD2-CD2 3.66Å; F13-Y29 AromaticContact CD2-CE2 3.46Å; F13-Y29 HydrophobicContact CD2-CE2 3.46Å; F13-Y29 VanDerWaalsContact CD2-CE2 3.46Å; F13-Y29 HydrophobicContact CD2-CG 4.39Å; F13-Y29 AromaticContact CE2-CD2 3.33Å; F13-Y29 HydrophobicContact CE2-CD2 3.33Å; F13-Y29 AromaticContact CE2-CE2 3.57Å; F13-Y29 HydrophobicContact CE2-CE2 3.57Å; F13-Y29 HydrophobicContact CE2-CG 4.16Å
14S60.5Low62.9Low49 Ų4972.8 Ų72.834%0.34342%0.422SS..  trans-64.9160.3162.560.50000110.8E16 E17 W18S14-E16 PolarHBondContact O-N 3.35Å; S14-E17 WeakPolarHBondContact CB-OE2 3.3Å; S14-E17 PolarHBondContact N-OE2 3.18Å; S14-E17 PolarHBondContact O-N 3.31Å; S14-E17 WeakPolarHBondContact OG-CB 3.39Å; S14-E17 WeakPolarHBondContact OG-CG 3.45Å; S14-E17 PolarHBondContact OG-N 3.03Å; S14-E17 PolarHBondContact OG-OE2 3.48Å; S14-W18 WeakPolarHBondContact O-CB 3.31Å; S14-W18 PolarHBondContact O-N 3.29Å
15H49.1Very low63.3Low93 Ų9373 Ų7343%0.43142%0.418SS..Hα-helixtrans-56.3-38.3177.7176.3-103.9000111.9A19 W64H15-A19 WeakPolarHBondContact O-CB 3.39Å; H15-A19 PolarHBondContact O-N 2.76Å; H15-W64 AromaticContact CD2-CD1 3.5Å; H15-W64 VanDerWaalsContact CD2-CD1 3.5Å; H15-W64 AromaticContact CD2-CG 3.83Å; H15-W64 AromaticContact CD2-NE1 3.82Å; H15-W64 AromaticContact NE2-CD1 3.91Å; H15-W64 AromaticContact NE2-NE1 3.96Å
16E55.4Low63.8Low125 Ų12572.5 Ų72.558%0.58441%0.408SS*.Hα-helixtrans-69.9-41.5178.3-63.770.9-152.700112.5S14 A19 C20S14-E16 PolarHBondContact O-N 3.35Å; E16-A19 PolarHBondContact O-N 3.47Å; E16-C20 PolarHBondContact O-N 2.91Å; E16-C20 PolarHBondContact O-SG 3.14Å
17E56.9Low64.4Low104 Ų10475 Ų7549%0.48642%0.423SS..Hα-helixtrans-67.3-40176.3-71.3165.3141.800111.1F13 S14 C20F13-E17 HydrophobicContact CB-CB 4.35Å; F13-E17 HydrophobicContact CD1-CB 3.76Å; S14-E17 WeakPolarHBondContact CB-OE2 3.3Å; S14-E17 PolarHBondContact N-OE2 3.18Å; S14-E17 PolarHBondContact O-N 3.31Å; S14-E17 WeakPolarHBondContact OG-CB 3.39Å; S14-E17 WeakPolarHBondContact OG-CG 3.45Å; S14-E17 PolarHBondContact OG-N 3.03Å; S14-E17 PolarHBondContact OG-OE2 3.48Å; E17-C20 WeakPolarHBondContact O-CB 3.38Å; E17-C20 PolarHBondContact O-N 3.48Å
18W69.3Low65.3Low5 Ų575.6 Ų75.62%0.01942%0.418CS..Hα-helixtrans-64.4-42176.3-169.6-76.1000112.2F13 S14 C20 L21 R26 Y29 L57 P63 W64F13-W18 HydrophobicContact CB-CB 4.26Å; F13-W18 HydrophobicContact CB-CE3 3.95Å; F13-W18 AromaticContact CD2-CE3 3.7Å; F13-W18 HydrophobicContact CD2-CE3 3.7Å; F13-W18 AromaticContact CD2-CZ3 3.95Å; F13-W18 HydrophobicContact CD2-CZ3 3.95Å; F13-W18 HydrophobicContact CG-CE3 4.17Å; S14-W18 WeakPolarHBondContact O-CB 3.31Å; S14-W18 PolarHBondContact O-N 3.29Å; W18-C20 PolarHBondContact O-N 3.4Å; W18-C20 VanDerWaalsContact O-N 3.17Å; W18-L21 HydrophobicContact CD2-CD1 4.1Å; W18-L21 HydrophobicContact CE3-CD1 3.97Å; W18-L21 HydrophobicContact CZ3-CD1 4.39Å; W18-L21 WeakPolarHBondContact O-CB 3.32Å; W18-L21 PolarHBondContact O-N 3.24Å; W18-R26 HydrophobicContact CH2-CB 4.49Å; W18-R26 HydrophobicContact CZ2-CB 3.78Å; W18-R26 HydrophobicContact CZ2-CG 3.7Å; W18-R26 PolarHBondContact O-NH2 3.29Å; W18-Y29 HydrophobicContact CE3-CE1 4.49Å; W18-Y29 AromaticContact CH2-CD1 3.26Å; W18-Y29 HydrophobicContact CH2-CD1 3.26Å; W18-Y29 AromaticContact CH2-CE1 3.7Å; W18-Y29 HydrophobicContact CH2-CE1 3.7Å; W18-Y29 AromaticContact CH2-CG 3.87Å; W18-Y29 HydrophobicContact CH2-CG 3.87Å; W18-Y29 AromaticContact CZ3-CD1 3.2Å; W18-Y29 HydrophobicContact CZ3-CD1 3.2Å; W18-Y29 HydrophobicContact CZ3-CD2 4.17Å; W18-Y29 AromaticContact CZ3-CE1 3.31Å; W18-Y29 HydrophobicContact CZ3-CE1 3.31Å; W18-Y29 HydrophobicContact CZ3-CE2 4.23Å; W18-Y29 AromaticContact CZ3-CG 3.6Å; W18-Y29 HydrophobicContact CZ3-CG 3.6Å; W18-Y29 AromaticContact CZ3-CZ 3.82Å; W18-L57 HydrophobicContact CH2-CD2 4.47Å; W18-P63 HydrophobicContact CH2-CG 4.37Å; W18-W64 HydrophobicContact CB-CE3 4.42Å; W18-W64 HydrophobicContact CB-CZ3 4.28Å; W18-W64 AromaticContact CD1-CE3 3.93Å; W18-W64 AromaticContact CD1-CH2 2.89Å; W18-W64 AromaticContact CD1-CZ2 3.5Å; W18-W64 AromaticContact CD1-CZ3 3.1Å; W18-W64 HydrophobicContact CD2-CE3 4.09Å; W18-W64 AromaticContact CD2-CH2 3.88Å; W18-W64 HydrophobicContact CD2-CH2 3.88Å; W18-W64 AromaticContact CD2-CZ3 3.31Å; W18-W64 HydrophobicContact CD2-CZ3 3.31Å; W18-W64 AromaticContact CE2-CH2 3.33Å; W18-W64 AromaticContact CE2-CZ3 3.11Å; W18-W64 HydrophobicContact CE3-CZ3 4.15Å; W18-W64 AromaticContact CG-CE3 3.85Å; W18-W64 HydrophobicContact CG-CE3 3.85Å; W18-W64 AromaticContact CG-CH2 3.63Å; W18-W64 HydrophobicContact CG-CH2 3.63Å; W18-W64 HydrophobicContact CG-CZ2 4.33Å; W18-W64 AromaticContact CG-CZ3 3.29Å; W18-W64 HydrophobicContact CG-CZ3 3.29Å; W18-W64 HydrophobicContact CH2-CZ3 4.46Å; W18-W64 HydrophobicContact CZ2-CH2 4.04Å; W18-W64 AromaticContact CZ2-CZ3 3.72Å; W18-W64 HydrophobicContact CZ2-CZ3 3.72Å; W18-W64 AromaticContact NE1-CH2 2.77Å; W18-W64 AromaticContact NE1-CZ2 3.75Å; W18-W64 AromaticContact NE1-CZ3 3.09Å
19A64Low66Low61 Ų6171.2 Ų71.250%0.50439%0.393SS..Hα-helixtrans-59.8-26.7176.800000112.5H15 E16 L21 R26H15-A19 WeakPolarHBondContact O-CB 3.39Å; H15-A19 PolarHBondContact O-N 2.76Å; E16-A19 PolarHBondContact O-N 3.47Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-R26 PolarHBondContact O-NH2 3.03Å
20C68.1Low66.5Low108 Ų10871 Ų7173%0.7339%0.388SS*.THydrogen-bonded Turntrans-81.1-9.6176.3-63.40000114.1E16 E17 W18E16-C20 PolarHBondContact O-N 2.91Å; E16-C20 PolarHBondContact O-SG 3.14Å; E17-C20 WeakPolarHBondContact O-CB 3.38Å; E17-C20 PolarHBondContact O-N 3.48Å; W18-C20 PolarHBondContact O-N 3.4Å; W18-C20 VanDerWaalsContact O-N 3.17Å
21L64.3Low67Low28 Ų2875.4 Ų75.415%0.14741%0.409CS..  trans-80.4130.3176.4-58-179.1000110.7F13 W18 A19 Q25 R26F13-L21 HydrophobicContact CD2-CD1 3.93Å; F13-L21 HydrophobicContact CE1-CD1 4.48Å; F13-L21 HydrophobicContact CE2-CD1 3.69Å; F13-L21 HydrophobicContact CG-CD1 4.4Å; F13-L21 HydrophobicContact CZ-CD1 4Å; F13-L21 HydrophobicContact CZ-CD2 4.38Å; W18-L21 HydrophobicContact CD2-CD1 4.1Å; W18-L21 HydrophobicContact CE3-CD1 3.97Å; W18-L21 HydrophobicContact CZ3-CD1 4.39Å; W18-L21 WeakPolarHBondContact O-CB 3.32Å; W18-L21 PolarHBondContact O-N 3.24Å; A19-L21 VanDerWaalsContact C-N 3.34Å; L21-Q25 HydrophobicContact CB-CB 4.01Å; L21-Q25 HydrophobicContact CD2-CB 4.14Å; L21-R26 HydrophobicContact CB-CG 3.68Å; L21-R26 HydrophobicContact CD1-CG 4.39Å; L21-R26 PolarHBondContact O-NE 2.78Å; L21-R26 PolarHBondContact O-NH2 3.49Å
22D68.9Low67.4Low88 Ų8873.7 Ų73.747%0.47140%0.403SS..  trans-71.2167.1167.770.646.2000111.4A24 Q25 R26D22-A24 PolarHBondContact O-N 2.99Å; D22-A24 WeakPolarHBondContact OD1-CA 3.46Å; D22-A24 WeakPolarHBondContact OD1-CB 3.46Å; D22-A24 PolarHBondContact OD1-N 3.41Å; D22-Q25 PolarHBondContact O-N 2.58Å; D22-Q25 VanDerWaalsContact O-N 3.11Å; D22-Q25 WeakPolarHBondContact OD1-CG 3.46Å; D22-Q25 PolarHBondContact OD1-N 3.32Å; D22-Q25 PolarHBondContact OD2-OE1 3.09Å; D22-R26 WeakPolarHBondContact O-CG 3.5Å; D22-R26 PolarHBondContact O-N 3.05Å
23S64Low68.3Low87 Ų8768.1 Ų68.161%0.60837%0.373SS*.Hα-helixtrans-59.4-37.2-174.6106.90000112.4Q25 R26 D27S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.02Å; S23-R26 PolarHBondContact O-N 3.5Å; S23-D27 WeakPolarHBondContact O-CB 3.31Å; S23-D27 PolarHBondContact O-N 3.33Å; S23-D27 VanDerWaalsContact O-OD2 3.1Å
24A69.3Low68.9Low44 Ų4465.8 Ų65.836%0.36437%0.365SS..Hα-helixtrans-69.9-31.8-179.400000112D22 L28D22-A24 PolarHBondContact O-N 2.99Å; D22-A24 WeakPolarHBondContact OD1-CA 3.46Å; D22-A24 WeakPolarHBondContact OD1-CB 3.46Å; D22-A24 PolarHBondContact OD1-N 3.41Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 PolarHBondContact O-N 3.5Å
25Q68Low69.6Low88 Ų8867.8 Ų67.841%0.41137%0.369SS..Hα-helixtrans-72-38.2173.3-68.7173.1-39.900112.1L21 D22 S23 L28 Y29L21-Q25 HydrophobicContact CB-CB 4.01Å; L21-Q25 HydrophobicContact CD2-CB 4.14Å; D22-Q25 PolarHBondContact O-N 2.58Å; D22-Q25 VanDerWaalsContact O-N 3.11Å; D22-Q25 WeakPolarHBondContact OD1-CG 3.46Å; D22-Q25 PolarHBondContact OD1-N 3.32Å; D22-Q25 PolarHBondContact OD2-OE1 3.09Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.02Å; Q25-L28 PolarHBondContact O-N 3.34Å; Q25-Y29 WeakPolarHBondContact O-CB 3.19Å; Q25-Y29 PolarHBondContact O-N 2.81Å
26R76.5Confident70.8Confident57 Ų5765.4 Ų65.422%0.21536%0.359CS..Hα-helixtrans-66.5-39.2174.4-64.9177.6-171.6-160.44.3111.9W18 A19 L21 D22 S23 Y29 K30 E62W18-R26 HydrophobicContact CH2-CB 4.49Å; W18-R26 HydrophobicContact CZ2-CB 3.78Å; W18-R26 HydrophobicContact CZ2-CG 3.7Å; W18-R26 PolarHBondContact O-NH2 3.29Å; A19-R26 PolarHBondContact O-NH2 3.03Å; L21-R26 HydrophobicContact CB-CG 3.68Å; L21-R26 HydrophobicContact CD1-CG 4.39Å; L21-R26 PolarHBondContact O-NE 2.78Å; L21-R26 PolarHBondContact O-NH2 3.49Å; D22-R26 WeakPolarHBondContact O-CG 3.5Å; D22-R26 PolarHBondContact O-N 3.05Å; S23-R26 PolarHBondContact O-N 3.5Å; R26-Y29 WeakPolarHBondContact O-CB 3.42Å; R26-Y29 PolarHBondContact O-N 3.12Å; R26-K30 WeakPolarHBondContact O-CG 3.26Å; R26-K30 PolarHBondContact O-N 3.11Å; R26-E62 IonicContact NH1-OE1 3.79Å; R26-E62 PolarHBondContact NH1-OE1 2.91Å
27D73.8Confident71.7Confident75 Ų7560.8 Ų60.840%0.40134%0.337SS..Hα-helixtrans-68.2-42.5175.7-65.4-25.9000110.9S23 Y29 K30 D31S23-D27 WeakPolarHBondContact O-CB 3.31Å; S23-D27 PolarHBondContact O-N 3.33Å; S23-D27 VanDerWaalsContact O-OD2 3.1Å; D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 PolarHBondContact O-N 2.79Å; D27-K30 WeakPolarHBondContact O-CB 3.3Å; D27-K30 PolarHBondContact O-N 3.21Å; D27-D31 PolarHBondContact O-N 3.27Å
28L79.6Confident72.6Confident107 Ų10760.1 Ų60.156%0.5633%0.334SS*.Hα-helixtrans-61.1-39173.2-179.663.1000112.2A24 Q25 D31 V32A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 PolarHBondContact O-N 3.5Å; Q25-L28 PolarHBondContact O-N 3.34Å; L28-D31 PolarHBondContact O-N 2.78Å; L28-V32 HydrophobicContact CD1-CG2 4.1Å; L28-V32 HydrophobicContact CG-CG2 4.35Å; L28-V32 WeakPolarHBondContact O-CB 3.46Å; L28-V32 VanDerWaalsContact O-CG2 3.23Å; L28-V32 WeakPolarHBondContact O-CG2 3.39Å; L28-V32 PolarHBondContact O-N 3.41Å
29Y79.3Confident72.8Confident18 Ų1863.7 Ų63.77%0.07135%0.353CS..Hα-helixtrans-61.7-46.5174.7175.8-90.5000111.9I11 F13 W18 Q25 R26 D27 D31 V32 M33 L57I11-Y29 HydrophobicContact CB-CE2 4.36Å; I11-Y29 WeakPolarHBondContact O-CE2 3.2Å; I11-Y29 VanDerWaalsContact O-CZ 3.25Å; I11-Y29 PolarHBondContact O-OH 2.87Å; F13-Y29 AromaticContact CD2-CD2 3.66Å; F13-Y29 HydrophobicContact CD2-CD2 3.66Å; F13-Y29 AromaticContact CD2-CE2 3.46Å; F13-Y29 HydrophobicContact CD2-CE2 3.46Å; F13-Y29 VanDerWaalsContact CD2-CE2 3.46Å; F13-Y29 HydrophobicContact CD2-CG 4.39Å; F13-Y29 AromaticContact CE2-CD2 3.33Å; F13-Y29 HydrophobicContact CE2-CD2 3.33Å; F13-Y29 AromaticContact CE2-CE2 3.57Å; F13-Y29 HydrophobicContact CE2-CE2 3.57Å; F13-Y29 HydrophobicContact CE2-CG 4.16Å; W18-Y29 HydrophobicContact CE3-CE1 4.49Å; W18-Y29 AromaticContact CH2-CD1 3.26Å; W18-Y29 HydrophobicContact CH2-CD1 3.26Å; W18-Y29 AromaticContact CH2-CE1 3.7Å; W18-Y29 HydrophobicContact CH2-CE1 3.7Å; W18-Y29 AromaticContact CH2-CG 3.87Å; W18-Y29 HydrophobicContact CH2-CG 3.87Å; W18-Y29 AromaticContact CZ3-CD1 3.2Å; W18-Y29 HydrophobicContact CZ3-CD1 3.2Å; W18-Y29 HydrophobicContact CZ3-CD2 4.17Å; W18-Y29 AromaticContact CZ3-CE1 3.31Å; W18-Y29 HydrophobicContact CZ3-CE1 3.31Å; W18-Y29 HydrophobicContact CZ3-CE2 4.23Å; W18-Y29 AromaticContact CZ3-CG 3.6Å; W18-Y29 HydrophobicContact CZ3-CG 3.6Å; W18-Y29 AromaticContact CZ3-CZ 3.82Å; Q25-Y29 WeakPolarHBondContact O-CB 3.19Å; Q25-Y29 PolarHBondContact O-N 2.81Å; R26-Y29 WeakPolarHBondContact O-CB 3.42Å; R26-Y29 PolarHBondContact O-N 3.12Å; D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 PolarHBondContact O-N 2.79Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 2.86Å; Y29-V32 PolarHBondContact O-N 3.49Å; Y29-M33 HydrophobicContact CD1-CG 3.91Å; Y29-M33 HydrophobicContact CD2-CG 3.94Å; Y29-M33 HydrophobicContact CE1-CB 4.49Å; Y29-M33 HydrophobicContact CE1-CG 3.62Å; Y29-M33 HydrophobicContact CE2-CE 4.3Å; Y29-M33 HydrophobicContact CE2-CG 3.68Å; Y29-M33 HydrophobicContact CE2-SD 3.97Å; Y29-M33 HydrophobicContact CG-CG 4.13Å; Y29-M33 WeakPolarHBondContact O-CB 3.48Å; Y29-M33 WeakPolarHBondContact O-CG 3.12Å; Y29-M33 PolarHBondContact O-N 3.24Å; Y29-M33 WeakPolarHBondContact OH-CE 3.4Å; Y29-L57 HydrophobicContact CD1-CD1 4.41Å; Y29-L57 HydrophobicContact CD1-CD2 4.22Å; Y29-L57 HydrophobicContact CE1-CD1 3.99Å; Y29-L57 HydrophobicContact CE1-CD2 4.17Å
30K74.1Confident73.1Confident46 Ų4661.6 Ų61.620%0.233%0.333CS..Hα-helixtrans-53.8-52.3175-75.9166.5179.3-178.80110.6R26 D27 V32 M33 V34 L57R26-K30 WeakPolarHBondContact O-CG 3.26Å; R26-K30 PolarHBondContact O-N 3.11Å; D27-K30 WeakPolarHBondContact O-CB 3.3Å; D27-K30 PolarHBondContact O-N 3.21Å; K30-V32 PolarHBondContact O-N 2.85Å; K30-M33 PolarHBondContact O-N 3.3Å; K30-V34 WeakPolarHBondContact O-CB 3.47Å; K30-V34 VanDerWaalsContact O-CG2 3.27Å; K30-V34 WeakPolarHBondContact O-CG2 3.36Å; K30-V34 PolarHBondContact O-N 3.3Å; K30-L57 HydrophobicContact CB-CD2 4.44Å; K30-L57 HydrophobicContact CD-CD2 4.46Å; K30-L57 HydrophobicContact CG-CB 4.26Å; K30-L57 HydrophobicContact CG-CD2 3.45Å; K30-L57 VanDerWaalsContact CG-CD2 3.45Å; K30-L57 HydrophobicContact CG-CG 4.35Å
31D75.9Confident73.2Confident112 Ų11258.6 Ų58.660%0.59931%0.311SS*.Hα-helixtrans-59.5-45.8-178.7-69.6-12.5000111.7D27 L28 Y29 Q35D27-D31 PolarHBondContact O-N 3.27Å; L28-D31 PolarHBondContact O-N 2.78Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 2.86Å; D31-Q35 WeakPolarHBondContact O-CB 3.5Å; D31-Q35 PolarHBondContact O-N 3.39Å
32V78.6Confident73.6Confident57 Ų5761.9 Ų61.935%0.34534%0.337SS..Hα-helixtrans-66.3-42.7-179.4170.30000111.5L28 Y29 K30 Q35 N36L28-V32 HydrophobicContact CD1-CG2 4.1Å; L28-V32 HydrophobicContact CG-CG2 4.35Å; L28-V32 WeakPolarHBondContact O-CB 3.46Å; L28-V32 VanDerWaalsContact O-CG2 3.23Å; L28-V32 WeakPolarHBondContact O-CG2 3.39Å; L28-V32 PolarHBondContact O-N 3.41Å; Y29-V32 PolarHBondContact O-N 3.49Å; K30-V32 PolarHBondContact O-N 2.85Å; V32-Q35 PolarHBondContact O-N 3.15Å; V32-N36 VanDerWaalsContact O-CB 3.28Å; V32-N36 WeakPolarHBondContact O-CB 3.4Å; V32-N36 PolarHBondContact O-N 3.45Å; V32-N36 PolarHBondContact O-OD1 3.24Å
33M77.3Confident73.5Confident1 Ų163.8 Ų63.81%0.00535%0.352CS..Hα-helixtrans-70.4-42.7-177.9-65.4-65.4-81.700111.5F6 A10 I11 Y29 K30 N36 Y37 I54 L57F6-M33 HydrophobicContact CE1-CE 4.06Å; F6-M33 HydrophobicContact CZ-CE 3.84Å; A10-M33 HydrophobicContact CB-CE 3.52Å; A10-M33 HydrophobicContact CB-SD 4.45Å; I11-M33 HydrophobicContact CB-SD 4.47Å; I11-M33 PolarHBondContact N-SD 3.2Å; I11-M33 VanDerWaalsContact N-SD 3.42Å; I11-M33 WeakPolarHBondContact O-CE 3.42Å; Y29-M33 HydrophobicContact CD1-CG 3.91Å; Y29-M33 HydrophobicContact CD2-CG 3.94Å; Y29-M33 HydrophobicContact CE1-CB 4.49Å; Y29-M33 HydrophobicContact CE1-CG 3.62Å; Y29-M33 HydrophobicContact CE2-CE 4.3Å; Y29-M33 HydrophobicContact CE2-CG 3.68Å; Y29-M33 HydrophobicContact CE2-SD 3.97Å; Y29-M33 HydrophobicContact CG-CG 4.13Å; Y29-M33 WeakPolarHBondContact O-CB 3.48Å; Y29-M33 WeakPolarHBondContact O-CG 3.12Å; Y29-M33 PolarHBondContact O-N 3.24Å; Y29-M33 WeakPolarHBondContact OH-CE 3.4Å; K30-M33 PolarHBondContact O-N 3.3Å; M33-N36 PolarHBondContact O-N 3.25Å; M33-Y37 PolarHBondContact O-N 3.38Å; M33-I54 VanDerWaalsContact C-CD1 3.45Å; M33-I54 HydrophobicContact CB-CD1 3.85Å; M33-I54 VanDerWaalsContact O-CD1 3.26Å; M33-I54 WeakPolarHBondContact O-CD1 3.35Å; M33-L57 HydrophobicContact CB-CD1 3.9Å; M33-L57 HydrophobicContact CG-CD1 4.48Å
34V73.8Confident73.2Confident28 Ų2861.5 Ų61.517%0.1734%0.338CS..Hα-helixtrans-62.1-46.1174.31740000110.2K30 N36 Y37 E38 I54 E58K30-V34 WeakPolarHBondContact O-CB 3.47Å; K30-V34 VanDerWaalsContact O-CG2 3.27Å; K30-V34 WeakPolarHBondContact O-CG2 3.36Å; K30-V34 PolarHBondContact O-N 3.3Å; V34-N36 PolarHBondContact O-N 2.8Å; V34-Y37 WeakPolarHBondContact O-CB 3.48Å; V34-Y37 PolarHBondContact O-N 2.95Å; V34-E38 WeakPolarHBondContact O-CG 3.29Å; V34-E38 PolarHBondContact O-N 3.48Å; V34-I54 HydrophobicContact CG2-CG2 4.48Å; V34-E58 HydrophobicContact CG2-CG 4.28Å
35Q76.5Confident72.6Confident92 Ų9261.1 Ų61.143%0.4334%0.338SS..Hα-helixtrans-65-37.5178.6-169.166.282.200112.6D31 V32 Y37 E38 N39D31-Q35 WeakPolarHBondContact O-CB 3.5Å; D31-Q35 PolarHBondContact O-N 3.39Å; V32-Q35 PolarHBondContact O-N 3.15Å; Q35-Y37 VanDerWaalsContact C-N 3.33Å; Q35-E38 PolarHBondContact NE2-OE2 3.2Å; Q35-E38 PolarHBondContact O-N 3.18Å; Q35-N39 WeakPolarHBondContact O-CB 3.45Å; Q35-N39 PolarHBondContact O-N 2.78Å; Q35-N39 PolarHBondContact O-ND2 3.31Å; Q35-N39 VanDerWaalsContact O-ND2 3.15Å
36N73.5Confident71.5Confident42 Ų4265.7 Ų65.723%0.22536%0.364CS..Hα-helixtrans-63.5-39.8174.9-77.4-3.4000111.4F6 V9 V32 M33 V34 L40F6-N36 HydrophobicContact CE2-CB 4.46Å; V9-N36 HydrophobicContact CG2-CB 4.22Å; V9-N36 PolarHBondContact O-ND2 3.06Å; V32-N36 VanDerWaalsContact O-CB 3.28Å; V32-N36 WeakPolarHBondContact O-CB 3.4Å; V32-N36 PolarHBondContact O-N 3.45Å; V32-N36 PolarHBondContact O-OD1 3.24Å; M33-N36 PolarHBondContact O-N 3.25Å; V34-N36 PolarHBondContact O-N 2.8Å; N36-L40 WeakPolarHBondContact O-CB 3.49Å; N36-L40 WeakPolarHBondContact O-CG 3.46Å; N36-L40 PolarHBondContact O-N 3.1Å
37Y74.6Confident70.3Confident28 Ų2867.4 Ų67.411%0.1139%0.385CS..Hα-helixtrans-64.9-47.9174.1174.2-111.9000112F6 M33 V34 Q35 N39 L40 V41 V48 K50 P51 I54F6-Y37 HydrophobicContact CD2-CD2 4.28Å; M33-Y37 PolarHBondContact O-N 3.38Å; V34-Y37 WeakPolarHBondContact O-CB 3.48Å; V34-Y37 PolarHBondContact O-N 2.95Å; Q35-Y37 VanDerWaalsContact C-N 3.33Å; Y37-N39 VanDerWaalsContact C-N 3.29Å; Y37-N39 PolarHBondContact O-N 3.26Å; Y37-L40 PolarHBondContact O-N 3.18Å; Y37-L40 VanDerWaalsContact O-N 3.12Å; Y37-V41 HydrophobicContact CD1-CG2 4.41Å; Y37-V41 HydrophobicContact CD2-CG2 4.07Å; Y37-V41 HydrophobicContact CE1-CG2 3.96Å; Y37-V41 HydrophobicContact CE2-CG2 3.54Å; Y37-V41 HydrophobicContact CG-CG2 4.46Å; Y37-V41 VanDerWaalsContact CZ-CG2 3.49Å; Y37-V41 WeakPolarHBondContact O-CG2 3.46Å; Y37-V41 PolarHBondContact O-N 3.45Å; Y37-V48 HydrophobicContact CE2-CG1 4.07Å; Y37-V48 PolarHBondContact OH-O 2.78Å; Y37-K50 HydrophobicContact CE1-CB 4.48Å; Y37-K50 HydrophobicContact CE1-CD 4.12Å; Y37-K50 HydrophobicContact CE1-CG 3.84Å; Y37-K50 HydrophobicContact CE2-CG 4.42Å; Y37-K50 WeakPolarHBondContact OH-CA 3.48Å; Y37-K50 WeakPolarHBondContact OH-CB 3.43Å; Y37-P51 HydrophobicContact CD2-CG 4Å; Y37-P51 HydrophobicContact CE2-CG 4.27Å; Y37-I54 HydrophobicContact CD1-CG2 3.81Å; Y37-I54 HydrophobicContact CE1-CG2 4.42Å; Y37-I54 HydrophobicContact CG-CG1 4.1Å; Y37-I54 HydrophobicContact CG-CG2 4.17Å
38E74.6Confident69.5Low91 Ų9165.8 Ų65.843%0.42538%0.378SS..Hα-helixtrans-58.8-40.8176.7-71.5178.5170.600112.4V34 Q35 V41 S42V34-E38 WeakPolarHBondContact O-CG 3.29Å; V34-E38 PolarHBondContact O-N 3.48Å; Q35-E38 PolarHBondContact NE2-OE2 3.2Å; Q35-E38 PolarHBondContact O-N 3.18Å; E38-V41 PolarHBondContact O-N 2.78Å; E38-S42 WeakPolarHBondContact O-CB 3.29Å; E38-S42 PolarHBondContact O-N 3.07Å; E38-S42 PolarHBondContact O-OG 3.27Å
39N75.3Confident68.3Low79 Ų7966.8 Ų66.842%0.42239%0.388SS..Hα-helixtrans-65.7-40.8176.1-72.3-24000111.4Q35 Y37 S42 V43Q35-N39 WeakPolarHBondContact O-CB 3.45Å; Q35-N39 PolarHBondContact O-N 2.78Å; Q35-N39 PolarHBondContact O-ND2 3.31Å; Q35-N39 VanDerWaalsContact O-ND2 3.15Å; Y37-N39 VanDerWaalsContact C-N 3.29Å; Y37-N39 PolarHBondContact O-N 3.26Å; N39-S42 PolarHBondContact O-N 3.09Å; N39-V43 WeakPolarHBondContact O-CB 3.24Å; N39-V43 WeakPolarHBondContact O-CG2 3.33Å; N39-V43 PolarHBondContact O-N 3.34Å
40L70.3Confident67.7Low18 Ų1870.4 Ų70.49%0.09440%0.404CS..Hα-helixtrans-66.4-41175.9-79.1172000112.5V4 F6 V9 N36 Y37 S42 V43 A44V4-L40 HydrophobicContact CB-CD2 4.43Å; V4-L40 HydrophobicContact CG1-CD2 3.96Å; F6-L40 HydrophobicContact CB-CD1 3.93Å; F6-L40 HydrophobicContact CD2-CD1 3.77Å; F6-L40 HydrophobicContact CG-CD1 4.31Å; V9-L40 HydrophobicContact CG2-CD1 3.29Å; V9-L40 HydrophobicContact CG2-CD2 4.49Å; V9-L40 HydrophobicContact CG2-CG 4.05Å; N36-L40 WeakPolarHBondContact O-CB 3.49Å; N36-L40 WeakPolarHBondContact O-CG 3.46Å; N36-L40 PolarHBondContact O-N 3.1Å; Y37-L40 PolarHBondContact O-N 3.18Å; Y37-L40 VanDerWaalsContact O-N 3.12Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.06Å; L40-V43 PolarHBondContact O-N 2.91Å; L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.43Å
41V68.9Low67.3Low44 Ų4469.5 Ų69.527%0.26740%0.403SS..Hα-helixtrans-61.9-39.3173.1173.60000110.6Y37 E38 G45 V48Y37-V41 HydrophobicContact CD1-CG2 4.41Å; Y37-V41 HydrophobicContact CD2-CG2 4.07Å; Y37-V41 HydrophobicContact CE1-CG2 3.96Å; Y37-V41 HydrophobicContact CE2-CG2 3.54Å; Y37-V41 HydrophobicContact CG-CG2 4.46Å; Y37-V41 VanDerWaalsContact CZ-CG2 3.49Å; Y37-V41 WeakPolarHBondContact O-CG2 3.46Å; Y37-V41 PolarHBondContact O-N 3.45Å; E38-V41 PolarHBondContact O-N 2.78Å; V41-G45 WeakPolarHBondContact O-CA 3.41Å; V41-G45 PolarHBondContact O-N 3.36Å; V41-V48 HydrophobicContact CG2-CB 4.3Å
42S72.6Confident66.4Low98 Ų9870.1 Ų70.169%0.68540%0.398SS*.Hα-helixtrans-69.2-34.1178-590000113.1E38 N39 L40E38-S42 WeakPolarHBondContact O-CB 3.29Å; E38-S42 PolarHBondContact O-N 3.07Å; E38-S42 PolarHBondContact O-OG 3.27Å; N39-S42 PolarHBondContact O-N 3.09Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.06Å
43V66.3Low65.6Low128 Ų12869.4 Ų69.478%0.77639%0.394SS*.Hα-helixtrans-87.7-32.9-178173.30000112.3N39 L40N39-V43 WeakPolarHBondContact O-CB 3.24Å; N39-V43 WeakPolarHBondContact O-CG2 3.33Å; N39-V43 PolarHBondContact O-N 3.34Å; L40-V43 PolarHBondContact O-N 2.91Å
44A58.9Low65.3Low38 Ų3869.3 Ų69.331%0.31439%0.394SS..Hα-helixtrans-97.1-10.3-176.900000114.2L40 V48L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.43Å; A44-V48 HydrophobicContact CB-CG2 3.76Å
45G56.2Low65.1Low36 Ų3672 Ų7237%0.37141%0.405SS..  trans76-177.2-17300000113.5V41 S47V41-G45 WeakPolarHBondContact O-CA 3.41Å; V41-G45 PolarHBondContact O-N 3.36Å; G45-S47 PolarHBondContact O-N 3.06Å
46L45.4Very low64.4Low184 Ų18468.4 Ų68.496%0.96339%0.389SS*.THydrogen-bonded Turntrans-615.3-166.8-75.6165.9000117.5
47S50.8Low64.2Low93 Ų9366.8 Ų66.865%0.6538%0.38SS*.THydrogen-bonded Turntrans-103.26.1-170.260.40000116G45 T49G45-S47 PolarHBondContact O-N 3.06Å; S47-T49 PolarHBondContact O-N 2.89Å
48V56.8Low64Low41 Ų4170 Ų7025%0.24840%0.396CS..  trans-85.1108.3177.5-171.80000110.6Y37 V41 A44 K50Y37-V48 HydrophobicContact CE2-CG1 4.07Å; Y37-V48 PolarHBondContact OH-O 2.78Å; V41-V48 HydrophobicContact CG2-CB 4.3Å; A44-V48 HydrophobicContact CB-CG2 3.76Å; V48-K50 PolarHBondContact O-N 2.86Å
49T55.3Low63.4Low128 Ų12870.3 Ų70.379%0.78540%0.401SS*.PPolyproline II helixtrans-58.1130.6170.9400000110.3S47 P51S47-T49 PolarHBondContact O-N 2.89Å; T49-P51 VanDerWaalsContact O-CD 3.25Å; T49-P51 WeakPolarHBondContact O-CD 3.29Å
50K66Low62.6Low94 Ų9469 Ų6941%0.40941%0.406SS..PPolyproline II helixtrans-62.7118.4-175.5-168.8164.8-164.81650110.9Y37 V48 Y52 I54 E58Y37-K50 HydrophobicContact CE1-CB 4.48Å; Y37-K50 HydrophobicContact CE1-CD 4.12Å; Y37-K50 HydrophobicContact CE1-CG 3.84Å; Y37-K50 HydrophobicContact CE2-CG 4.42Å; Y37-K50 WeakPolarHBondContact OH-CA 3.48Å; Y37-K50 WeakPolarHBondContact OH-CB 3.43Å; V48-K50 PolarHBondContact O-N 2.86Å; K50-Y52 PolarHBondContact O-N 3.13Å; K50-I54 HydrophobicContact CG-CB 4.5Å; K50-I54 HydrophobicContact CG-CG2 4.39Å; K50-E58 WeakPolarHBondContact CE-OE1 3.5Å; K50-E58 VanDerWaalsContact CE-OE2 3.25Å; K50-E58 WeakPolarHBondContact CE-OE2 3.48Å; K50-E58 IonicContact NZ-OE1 3.12Å; K50-E58 PolarHBondContact NZ-OE1 3.14Å; K50-E58 IonicContact NZ-OE2 3.42Å; K50-E58 PolarHBondContact NZ-OE2 3.31Å
51P66.4Low62.2Low27 Ų2772.9 Ų72.918%0.17542%0.422CS..PPolyproline II helixtrans-62.1137.4179.3-21.231.3000111.1F6 Y37 T49 V53 I54 M55F6-P51 HydrophobicContact CB-CG 3.84Å; F6-P51 HydrophobicContact CD1-CB 3.73Å; F6-P51 HydrophobicContact CD1-CG 3.47Å; F6-P51 VanDerWaalsContact CD1-CG 3.47Å; F6-P51 HydrophobicContact CD2-CG 4.03Å; F6-P51 HydrophobicContact CE1-CB 3.98Å; F6-P51 HydrophobicContact CE1-CG 4.02Å; F6-P51 HydrophobicContact CG-CB 4.27Å; F6-P51 HydrophobicContact CG-CG 3.48Å; F6-P51 VanDerWaalsContact CG-CG 3.48Å; Y37-P51 HydrophobicContact CD2-CG 4Å; Y37-P51 HydrophobicContact CE2-CG 4.27Å; T49-P51 VanDerWaalsContact O-CD 3.25Å; T49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-V53 PolarHBondContact O-N 3.03Å; P51-I54 HydrophobicContact CB-CG1 4.17Å; P51-I54 HydrophobicContact CG-CG1 4.26Å; P51-I54 WeakPolarHBondContact O-CB 3.44Å; P51-I54 PolarHBondContact O-N 2.89Å; P51-M55 PolarHBondContact O-N 3.28Å
52Y57Low61.7Low125 Ų12573.7 Ų73.749%0.4942%0.423SS..Hα-helixtrans-56.7-34.9-177.4-176.7-105.9000113K50 I54 M55 L56K50-Y52 PolarHBondContact O-N 3.13Å; Y52-I54 VanDerWaalsContact C-N 3.33Å; Y52-I54 PolarHBondContact O-N 3.36Å; Y52-M55 HydrophobicContact CD2-CE 3.37Å; Y52-M55 HydrophobicContact CE2-CE 3.34Å; Y52-M55 HydrophobicContact CG-CE 4.49Å; Y52-M55 WeakPolarHBondContact O-CB 3.21Å; Y52-M55 PolarHBondContact O-N 2.96Å; Y52-L56 HydrophobicContact CD1-CD1 3.9Å; Y52-L56 HydrophobicContact CD1-CG 4.3Å; Y52-L56 HydrophobicContact CE1-CD1 3.47Å; Y52-L56 VanDerWaalsContact CE1-CD1 3.47Å; Y52-L56 HydrophobicContact CE1-CD2 4.36Å; Y52-L56 HydrophobicContact CE1-CG 3.96Å; Y52-L56 WeakPolarHBondContact O-CG 3.31Å; Y52-L56 PolarHBondContact O-N 3.18Å
53V61.2Low60.7Low42 Ų4270.7 Ų70.726%0.25540%0.401SS..Hα-helixtrans-60.9-40.8175176.80000111.4P51 L56 L57P51-V53 PolarHBondContact O-N 3.03Å; V53-L56 PolarHBondContact O-N 3.1Å; V53-L57 HydrophobicContact CG1-CD1 3.81Å; V53-L57 HydrophobicContact CG1-CG 4.37Å; V53-L57 WeakPolarHBondContact O-CD1 3.41Å; V53-L57 WeakPolarHBondContact O-CG 3.4Å; V53-L57 PolarHBondContact O-N 3.38Å
54I70.9Confident60.4Low0 Ų067.6 Ų67.60%038%0.375CS..Hα-helixtrans-67.1-41.1176.4-61-56000111.2F6 M33 V34 Y37 K50 P51 Y52 L56 L57 E58F6-I54 HydrophobicContact CE1-CD1 4.33Å; F6-I54 HydrophobicContact CE1-CG1 4.19Å; F6-I54 HydrophobicContact CE2-CD1 3.92Å; F6-I54 HydrophobicContact CE2-CG1 4Å; F6-I54 HydrophobicContact CZ-CD1 3.46Å; F6-I54 VanDerWaalsContact CZ-CD1 3.46Å; F6-I54 HydrophobicContact CZ-CG1 3.65Å; M33-I54 VanDerWaalsContact C-CD1 3.45Å; M33-I54 HydrophobicContact CB-CD1 3.85Å; M33-I54 VanDerWaalsContact O-CD1 3.26Å; M33-I54 WeakPolarHBondContact O-CD1 3.35Å; V34-I54 HydrophobicContact CG2-CG2 4.48Å; Y37-I54 HydrophobicContact CD1-CG2 3.81Å; Y37-I54 HydrophobicContact CE1-CG2 4.42Å; Y37-I54 HydrophobicContact CG-CG1 4.1Å; Y37-I54 HydrophobicContact CG-CG2 4.17Å; K50-I54 HydrophobicContact CG-CB 4.5Å; K50-I54 HydrophobicContact CG-CG2 4.39Å; P51-I54 HydrophobicContact CB-CG1 4.17Å; P51-I54 HydrophobicContact CG-CG1 4.26Å; P51-I54 WeakPolarHBondContact O-CB 3.44Å; P51-I54 PolarHBondContact O-N 2.89Å; Y52-I54 VanDerWaalsContact C-N 3.33Å; Y52-I54 PolarHBondContact O-N 3.36Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 3.22Å; I54-L57 HydrophobicContact CD1-CD1 4.3Å; I54-L57 PolarHBondContact O-N 3.29Å; I54-E58 HydrophobicContact CG2-CG 4.42Å; I54-E58 WeakPolarHBondContact O-CG 3.35Å; I54-E58 PolarHBondContact O-N 3.34Å
55M68.9Low59.7Low85 Ų8572 Ų7242%0.41939%0.391SS..Hα-helixtrans-60.9-38.1176-170-174.873.600112.1P51 Y52 D59P51-M55 PolarHBondContact O-N 3.28Å; Y52-M55 HydrophobicContact CD2-CE 3.37Å; Y52-M55 HydrophobicContact CE2-CE 3.34Å; Y52-M55 HydrophobicContact CG-CE 4.49Å; Y52-M55 WeakPolarHBondContact O-CB 3.21Å; Y52-M55 PolarHBondContact O-N 2.96Å; M55-D59 WeakPolarHBondContact O-CB 3.36Å; M55-D59 PolarHBondContact O-N 3.17Å
56L62Low58.9Low15 Ų1574.5 Ų74.58%0.07939%0.394CS..Hα-helixtrans-69.6-42.9175.3-70.8178.3000112.8Y52 V53 I54 D59 G60 K61Y52-L56 HydrophobicContact CD1-CD1 3.9Å; Y52-L56 HydrophobicContact CD1-CG 4.3Å; Y52-L56 HydrophobicContact CE1-CD1 3.47Å; Y52-L56 VanDerWaalsContact CE1-CD1 3.47Å; Y52-L56 HydrophobicContact CE1-CD2 4.36Å; Y52-L56 HydrophobicContact CE1-CG 3.96Å; Y52-L56 WeakPolarHBondContact O-CG 3.31Å; Y52-L56 PolarHBondContact O-N 3.18Å; V53-L56 PolarHBondContact O-N 3.1Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 3.22Å; L56-D59 PolarHBondContact O-N 3.28Å; L56-G60 PolarHBondContact O-N 2.88Å; L56-K61 CarbonylContact C-O 3.42Å; L56-K61 HydrophobicContact CB-CB 4.46Å; L56-K61 HydrophobicContact CD2-CB 4.19Å; L56-K61 HydrophobicContact CD2-CD 4.16Å; L56-K61 PolarHBondContact O-N 3.35Å; L56-K61 VanDerWaalsContact O-O 3.11Å
57L69.5Low58.5Low8 Ų873.8 Ų73.84%0.04239%0.386CS..Hα-helixtrans-65.6-38.3-178.1-68.3166.4000111.9W18 Y29 K30 M33 V53 I54 G60 P63W18-L57 HydrophobicContact CH2-CD2 4.47Å; Y29-L57 HydrophobicContact CD1-CD1 4.41Å; Y29-L57 HydrophobicContact CD1-CD2 4.22Å; Y29-L57 HydrophobicContact CE1-CD1 3.99Å; Y29-L57 HydrophobicContact CE1-CD2 4.17Å; K30-L57 HydrophobicContact CB-CD2 4.44Å; K30-L57 HydrophobicContact CD-CD2 4.46Å; K30-L57 HydrophobicContact CG-CB 4.26Å; K30-L57 HydrophobicContact CG-CD2 3.45Å; K30-L57 VanDerWaalsContact CG-CD2 3.45Å; K30-L57 HydrophobicContact CG-CG 4.35Å; M33-L57 HydrophobicContact CB-CD1 3.9Å; M33-L57 HydrophobicContact CG-CD1 4.48Å; V53-L57 HydrophobicContact CG1-CD1 3.81Å; V53-L57 HydrophobicContact CG1-CG 4.37Å; V53-L57 WeakPolarHBondContact O-CD1 3.41Å; V53-L57 WeakPolarHBondContact O-CG 3.4Å; V53-L57 PolarHBondContact O-N 3.38Å; I54-L57 HydrophobicContact CD1-CD1 4.3Å; I54-L57 PolarHBondContact O-N 3.29Å; L57-G60 PolarHBondContact O-N 3.42Å; L57-P63 HydrophobicContact CD2-CG 3.56Å; L57-P63 HydrophobicContact CG-CG 4.16Å
58E70.4Confident57.8Low96 Ų9679.3 Ų79.345%0.44940%0.398SS..Hα-helixtrans-68.4-35.7174.8-73.2177.1-18000113.1V34 K50 I54 G60V34-E58 HydrophobicContact CG2-CG 4.28Å; K50-E58 WeakPolarHBondContact CE-OE1 3.5Å; K50-E58 VanDerWaalsContact CE-OE2 3.25Å; K50-E58 WeakPolarHBondContact CE-OE2 3.48Å; K50-E58 IonicContact NZ-OE1 3.12Å; K50-E58 PolarHBondContact NZ-OE1 3.14Å; K50-E58 IonicContact NZ-OE2 3.42Å; K50-E58 PolarHBondContact NZ-OE2 3.31Å; I54-E58 HydrophobicContact CG2-CG 4.42Å; I54-E58 WeakPolarHBondContact O-CG 3.35Å; I54-E58 PolarHBondContact O-N 3.34Å; E58-G60 PolarHBondContact O-N 3.16Å; E58-G60 VanDerWaalsContact O-N 3.15Å
59D62.5Low56.7Low97 Ų9785.6 Ų85.652%0.51942%0.422SS..THydrogen-bonded Turntrans-71.40.8173.5-94.27.6000113.1M55 L56 K61M55-D59 WeakPolarHBondContact O-CB 3.36Å; M55-D59 PolarHBondContact O-N 3.17Å; L56-D59 PolarHBondContact O-N 3.28Å; D59-K61 HydrophobicContact CB-CD 3.98Å; D59-K61 HydrophobicContact CB-CG 4.14Å; D59-K61 PolarHBondContact O-N 2.8Å; D59-K61 IonicContact OD2-NZ 2.79Å; D59-K61 PolarHBondContact OD2-NZ 3.45Å
60G58.6Low55.6Low51 Ų5185.1 Ų85.153%0.52641%0.414SS..THydrogen-bonded Turntrans68.612-175.400000113.6L56 L57 E58L56-G60 PolarHBondContact O-N 2.88Å; L57-G60 PolarHBondContact O-N 3.42Å; E58-G60 PolarHBondContact O-N 3.16Å; E58-G60 VanDerWaalsContact O-N 3.15Å
61K60.6Low54.2Low101 Ų10186 Ų8644%0.43943%0.432SS..  trans-86.7144.9179.5-66.8168.8-172151.10110.1L56 D59L56-K61 CarbonylContact C-O 3.42Å; L56-K61 HydrophobicContact CB-CB 4.46Å; L56-K61 HydrophobicContact CD2-CB 4.19Å; L56-K61 HydrophobicContact CD2-CD 4.16Å; L56-K61 PolarHBondContact O-N 3.35Å; L56-K61 VanDerWaalsContact O-O 3.11Å; D59-K61 HydrophobicContact CB-CD 3.98Å; D59-K61 HydrophobicContact CB-CG 4.14Å; D59-K61 PolarHBondContact O-N 2.8Å; D59-K61 IonicContact OD2-NZ 2.79Å; D59-K61 PolarHBondContact OD2-NZ 3.45Å
62E58.5Low52.6Low61 Ų6193.9 Ų93.929%0.28546%0.463SS..  trans-75.6128.8177-78.2-170.3144.200110.4R26 W64 M65R26-E62 IonicContact NH1-OE1 3.79Å; R26-E62 PolarHBondContact NH1-OE1 2.91Å; E62-W64 HydrophobicContact CB-CD2 4.23Å; E62-W64 HydrophobicContact CB-CE3 4.2Å; E62-W64 HydrophobicContact CB-CH2 3.29Å; E62-W64 HydrophobicContact CB-CZ2 3.56Å; E62-W64 HydrophobicContact CB-CZ3 3.69Å; E62-W64 HydrophobicContact CG-CH2 3.31Å; E62-W64 HydrophobicContact CG-CZ2 3.71Å; E62-W64 HydrophobicContact CG-CZ3 4.09Å; E62-W64 PolarHBondContact O-N 3.43Å; E62-W64 VanDerWaalsContact OE1-CH2 3.29Å; E62-W64 WeakPolarHBondContact OE1-CH2 3.45Å; E62-W64 WeakPolarHBondContact OE1-CZ2 3.47Å; E62-W64 WeakPolarHBondContact OE2-CZ2 3.32Å; E62-M65 HydrophobicContact CB-CG 4.03Å; E62-M65 WeakPolarHBondContact O-CB 2.88Å; E62-M65 PolarHBondContact O-N 3.34Å
63P52.4Low51.4Low34 Ų3494.4 Ų94.422%0.22148%0.475CS..THydrogen-bonded Turntrans-48.7-27.9-173.7-34.634000117.2W18 L57W18-P63 HydrophobicContact CH2-CG 4.37Å; L57-P63 HydrophobicContact CD2-CG 3.56Å; L57-P63 HydrophobicContact CG-CG 4.16Å
64W60.3Low49.9Very low64 Ų64101 Ų10124%0.24250%0.495CS..THydrogen-bonded Turntrans-96.15.3-177.162.291.3000114.6H15 W18 E62 M66H15-W64 AromaticContact CD2-CD1 3.5Å; H15-W64 VanDerWaalsContact CD2-CD1 3.5Å; H15-W64 AromaticContact CD2-CG 3.83Å; H15-W64 AromaticContact CD2-NE1 3.82Å; H15-W64 AromaticContact NE2-CD1 3.91Å; H15-W64 AromaticContact NE2-NE1 3.96Å; W18-W64 HydrophobicContact CB-CE3 4.42Å; W18-W64 HydrophobicContact CB-CZ3 4.28Å; W18-W64 AromaticContact CD1-CE3 3.93Å; W18-W64 AromaticContact CD1-CH2 2.89Å; W18-W64 AromaticContact CD1-CZ2 3.5Å; W18-W64 AromaticContact CD1-CZ3 3.1Å; W18-W64 HydrophobicContact CD2-CE3 4.09Å; W18-W64 AromaticContact CD2-CH2 3.88Å; W18-W64 HydrophobicContact CD2-CH2 3.88Å; W18-W64 AromaticContact CD2-CZ3 3.31Å; W18-W64 HydrophobicContact CD2-CZ3 3.31Å; W18-W64 AromaticContact CE2-CH2 3.33Å; W18-W64 AromaticContact CE2-CZ3 3.11Å; W18-W64 HydrophobicContact CE3-CZ3 4.15Å; W18-W64 AromaticContact CG-CE3 3.85Å; W18-W64 HydrophobicContact CG-CE3 3.85Å; W18-W64 AromaticContact CG-CH2 3.63Å; W18-W64 HydrophobicContact CG-CH2 3.63Å; W18-W64 HydrophobicContact CG-CZ2 4.33Å; W18-W64 AromaticContact CG-CZ3 3.29Å; W18-W64 HydrophobicContact CG-CZ3 3.29Å; W18-W64 HydrophobicContact CH2-CZ3 4.46Å; W18-W64 HydrophobicContact CZ2-CH2 4.04Å; W18-W64 AromaticContact CZ2-CZ3 3.72Å; W18-W64 HydrophobicContact CZ2-CZ3 3.72Å; W18-W64 AromaticContact NE1-CH2 2.77Å; W18-W64 AromaticContact NE1-CZ2 3.75Å; W18-W64 AromaticContact NE1-CZ3 3.09Å; E62-W64 HydrophobicContact CB-CD2 4.23Å; E62-W64 HydrophobicContact CB-CE3 4.2Å; E62-W64 HydrophobicContact CB-CH2 3.29Å; E62-W64 HydrophobicContact CB-CZ2 3.56Å; E62-W64 HydrophobicContact CB-CZ3 3.69Å; E62-W64 HydrophobicContact CG-CH2 3.31Å; E62-W64 HydrophobicContact CG-CZ2 3.71Å; E62-W64 HydrophobicContact CG-CZ3 4.09Å; E62-W64 PolarHBondContact O-N 3.43Å; E62-W64 VanDerWaalsContact OE1-CH2 3.29Å; E62-W64 WeakPolarHBondContact OE1-CH2 3.45Å; E62-W64 WeakPolarHBondContact OE1-CZ2 3.47Å; E62-W64 WeakPolarHBondContact OE2-CZ2 3.32Å; W64-M66 PolarHBondContact O-N 2.96Å
65M43.1Very low47.8Very low129 Ų129108.8 Ų108.864%0.63553%0.532SS*.THydrogen-bonded Turntrans-61.53.4-177-87.8-91-136.200116E62E62-M65 HydrophobicContact CB-CG 4.03Å; E62-M65 WeakPolarHBondContact O-CB 2.88Å; E62-M65 PolarHBondContact O-N 3.34Å
66M41Very low46Very low89 Ų89109.3 Ų109.344%0.43854%0.544SS..THydrogen-bonded Turntrans-133.925.3-178.3-80.1-70.5-91.200116W64 K68 K69 L70W64-M66 PolarHBondContact O-N 2.96Å; M66-K68 PolarHBondContact O-N 3.22Å; M66-K69 HydrophobicContact CE-CB 3.94Å; M66-K69 HydrophobicContact SD-CB 4.07Å; M66-L70 HydrophobicContact CE-CD1 4.47Å
67E37.1Very low44.4Very low170 Ų170119.7 Ų119.779%0.79458%0.582SS**THydrogen-bonded Turntrans-66.6-13.8166.5-92.4-173.3166.800113.4
68K35.8Very low42.5Very low208 Ų208129.6 Ų129.690%0.90462%0.619SS**THydrogen-bonded Turntrans-89.5-1.3-178.9-100.7-179.4178175.30116.3M66M66-K68 PolarHBondContact O-N 3.22Å
69K33.5Very low40.5Very low174 Ų174133.5 Ų133.576%0.75764%0.637SS**THydrogen-bonded Turntrans-137.8-1.3-174.5-104.7-178.1-179179.80119.6M66M66-K69 HydrophobicContact CE-CB 3.94Å; M66-K69 HydrophobicContact SD-CB 4.07Å
70L31.4Very low38.9Very low117 Ų117135.9 Ų135.961%0.61365%0.65SS**  trans-126.563.6177.5-88.1153.7000111.5M66M66-L70 HydrophobicContact CE-CD1 4.47Å
71S36.6Very low37.5Very low112 Ų112143.2 Ų143.278%0.78367%0.667SS**SBendtrans-88.2-3179.9178.20000115
72K33.4Very low35.9Very low193 Ų193148 Ų14884%0.83969%0.691SS**SBendtrans-143.20.9-167.3-101.5177.8-174.3177.80122.3
73D31.8Very low34.4Very low136 Ų136153 Ų15373%0.72772%0.719SS**SBendtrans-133.93-167.2-118.222.2000117.7
74W29.3Very low33Very low180 Ų180156.6 Ų156.668%0.68274%0.744SS**SBendtrans-98.2-23.9-169.7101.1-87.6000115.3S76W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 3.35Å
75E28.1Very low31.3Very low165 Ų165158.9 Ų158.977%0.77177%0.766SS**THydrogen-bonded Turntrans-70.1-18.2-175.9-75.3179.7161.900114
76S29.3Very low30.5Very low96 Ų96162.1 Ų162.167%0.67178%0.776SS**THydrogen-bonded Turntrans-87.9-4.6-175.842.40000114.8W74W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 3.35Å
77R28.6Very low29.7Very low233 Ų233166 Ų16688%0.87979%0.791SS**SBendtrans-106.6-10.7-172.2-132.1176.6-172.6171.32.5115.7
78W29.9Very low29.1Very low215 Ų215163.4 Ų163.481%0.81478%0.782SS**SBendtrans-97.1-21.6-172.7-170.9-102.7000114.7N80W78-N80 VanDerWaalsContact C-N 3.34Å; W78-N80 PolarHBondContact O-N 3.22Å
79E27.9Very low28.6Very low179 Ų179161.5 Ų161.584%0.83678%0.78SS**THydrogen-bonded Turntrans-78.6-3.9-174.4-75.4-169.8155.600116
80N29.7Very low28.2Very low147 Ų147163.4 Ų163.479%0.78678%0.784SS**THydrogen-bonded Turntrans-114.718.4-165.5-93.1-43.9000117.4W78W78-N80 VanDerWaalsContact C-N 3.34Å; W78-N80 PolarHBondContact O-N 3.22Å
81K29.1Very low27.7Very low205 Ų205165.4 Ų165.489%0.89180%0.796SS**  trans-149.851178.3-117.9173.9-171.4-175.90116.7
82E27.7Very low27.1Very low201 Ų201168.2 Ų168.294%0.93980%0.797SS**  trans-117.1101.1141.9-82.9-161152.800109
83L25.9Very low26.6Very low167 Ų167166.5 Ų166.587%0.87480%0.797SS**  trans164.1102.6135-16870.2000110.3
84S23.6Very low26.1Very low108 Ų108164.4 Ų164.476%0.75579%0.793SS**  trans-159.292.7146.7-1770000110.9
85T24.2Very low26.1Very low113 Ų113161.5 Ų161.569%0.69380%0.797SS**  trans25.8122134.934.80000122
86K26Very low25.8Very low197 Ų197161.8 Ų161.886%0.85780%0.798SS**  trans52.8126.8130.6-87.3-178.7176.6173.30122.1
87K25.1Very low25.8Very low169 Ų169162.1 Ų162.174%0.73580%0.798SS**  103.7124.2125.4-99-170.6148.1-160.50121.1
88D24.5Very low25.5Very low116 Ų116158.2 Ų158.262%0.6280%0.8SS**  trans94.7126.8135.1-65-21.4000121.2
89I25.6Very low25.1Very low168 Ų168154 Ų15486%0.86280%0.798SS**  trans113.7130.4145.3-59.9142.7000118.9
90Y23.8Very low25Very low214 Ų214153.7 Ų153.784%0.83980%0.798SS**  trans-66.9154.8-177.3-78.4-104.4000114.7
91D21.9Very low24.7Very low160 Ų160154.9 Ų154.986%0.85680%0.799SS**  -176.1155.7109.2-98.4-30.7000114.2
92E24.3Very low24.4Very low171 Ų171154.6 Ų154.680%0.79980%0.798SS**  trans-59.7149-177-67.4-160.3135.700115.7
93D21.9Very low24.2Very low157 Ų157151.6 Ų151.684%0.8479%0.793SS**  175.4148.3100.6-117.9-27.4000112.7
94S22.1Very low24.1Very low92 Ų92150.1 Ų150.164%0.64379%0.791SS**  trans-122.3148.7173.4-171.80000106.2
95P29.3Very low24.1Very low118 Ų118153.6 Ų153.677%0.76679%0.792SS**  -153.515656.836.3-12.3000119.4
96Q21.8Very low24.2Very low171 Ų171157.2 Ų157.280%0.79980%0.801SS**  trans14.8170.7138-57.4-88.6-28.800121.1
97P29.6Very low24Very low104 Ų104152.6 Ų152.668%0.67579%0.794SS**  -132.1166.8-59.437.8-20.6000111.8
98V21.6Very low23.8Very low150 Ų150155 Ų15591%0.90980%0.8SS**  trans-139.1131.5165.8-158.80000112
99T22.5Very low23.7Very low128 Ų128157.6 Ų157.679%0.78581%0.808SS**  trans-89.9147.3-174.437.10000114.1
100M24.7Very low23.6Very low171 Ų171159.6 Ų159.684%0.84281%0.811SS**  trans24.7128.9147.1-69.9-77.8-91.700121.5
101E23.4Very low23.5Very low173 Ų173154 Ų15481%0.80880%0.804SS**  trans130.7141.9135.1-72.6-167.9153.800116.6
102K22.8Very low23.5Very low199 Ų199153.6 Ų153.687%0.86580%0.801SS**  trans91.9106.6-179.1-58167.4-179.1172.30111.5
103V24.6Very low23.4Very low137 Ų137150.8 Ų150.883%0.8380%0.8SS**  -145.2123.966.7175.10000112.2
104V23.8Very low23.4Very low136 Ų136151.1 Ų151.182%0.82480%0.802SS**  trans-108.5121.2155174.80000106.6
105K23.3Very low23.5Very low181 Ų181155.4 Ų155.479%0.78781%0.809SS**  trans151.4109.6140.9-89.3-176.6175.6177.80112.4
106Q24.7Very low23.2Very low189 Ų189156.6 Ų156.688%0.88381%0.809SS**  trans-167.292.4132-98.1169.919.100104.4
107S22.2Very low23.3Very low101 Ų101156.3 Ų156.371%0.70681%0.813SS**  36.1133.174.3690000112.1
108Y21.4Very low23Very low219 Ų219160.5 Ų160.586%0.85982%0.823SS**  cis-178.2169.7-1.9-154.6-110.1000103.3
109E23.2Very low23Very low170 Ų170163.3 Ų163.379%0.79482%0.819SS**  trans85.289.1171.2-51.1-172.217800118.4
110F22Very low23.1Very low210 Ų210163.1 Ų163.192%0.92182%0.817SS**  -148.697.6120.6-146.5-98.6000109.1
111S22.8Very low23Very low98 Ų98163.8 Ų163.869%0.68582%0.818SS**  trans-92.7143.8172.2-59.10000110.6
112N21.8Very low23Very low151 Ų151161 Ų16181%0.80782%0.817SS**  trans63.7113151.2-86.1-14.3000118.7
113S21Very low23Very low111 Ų111158.5 Ų158.578%0.77681%0.813SS**  -174.1101115.8-78.80000110.7
114N23.2Very low23Very low165 Ų165157.4 Ų157.488%0.88281%0.807SS**  174.3139.8107.9-104.6-38.3000112.3
115K23.9Very low22.9Very low181 Ų181158.5 Ų158.579%0.78780%0.801SS**  trans-82.8160.1-174.8-67171.3172.9173.30111.6
116N23Very low22.9Very low144 Ų144161.5 Ų161.577%0.7781%0.807SS**  trans73.698.6151.3-60.1-23.1000118
117L22.7Very low23Very low165 Ų165156.7 Ų156.786%0.86479%0.794SS**  trans-144.8106.8134.9-100.4128000108.2
118E25.4Very low23.2Very low191 Ų191156.4 Ų156.489%0.89379%0.789SS**  trans-54.7130.9163.2-71.6174.3135.700109
119Y21.6Very low23.1Very low210 Ų210156.3 Ų156.382%0.82479%0.793SS**  trans-138.2125.2162.6-125-93000110.5
120T23.5Very low23Very low123 Ų123155.9 Ų155.976%0.75579%0.791SS**  trans-63.2133.5-171.847.70000113.6C122T120-C122 PolarHBondContact O-N 3.2Å
121E22.9Very low23Very low185 Ų185151.5 Ų151.586%0.86479%0.786SS**  trans-58.4120.6167.6-71.2-179.4139.500110.9D123E121-D123 PolarHBondContact O-N 3.43Å
122C22.8Very low23Very low115 Ų115156.6 Ų156.678%0.77780%0.796SS**  trans-89.987.4168.8-1710000109.1T120T120-C122 PolarHBondContact O-N 3.2Å
123D23.3Very low23Very low146 Ų146153.4 Ų153.478%0.78179%0.786SS**  trans-75.3119.7164-120-16.7000108.9E121E121-D123 PolarHBondContact O-N 3.43Å
124T24.5Very low23.1Very low115 Ų115154.9 Ų154.971%0.70679%0.79SS**  trans-171.599.5153.722.40000111.3
125F22.6Very low23.1Very low158 Ų158155.2 Ų155.269%0.69379%0.791SS**  -170.291.6107.9-136.4-99.2000110.7
126R23.1Very low23Very low245 Ų245152.2 Ų152.293%0.92579%0.792SS**  trans-109.2103.3158.5-176.7178-173164.40.7107T128R126-T128 PolarHBondContact O-N 2.65Å
127S25.3Very low23.1Very low88 Ų88154.3 Ų154.362%0.61580%0.798SS**  trans-8893.9167.263.20000110
128T26.5Very low23.3Very low95 Ų95152.5 Ų152.558%0.58380%0.796SS**  trans35.8116135.650.20000120.6R126R126-T128 PolarHBondContact O-N 2.65Å
129F20.1Very low23.2Very low217 Ų217152.8 Ų152.895%0.95280%0.797SS**  -105.5129.2124.3-100.1-93.4000107.1
130H22.1Very low23.5Very low161 Ų161150 Ų15075%0.74580%0.796SS**  trans-77.8131.5175.1-89.4-71.4000110.8
131S21.5Very low23.5Very low118 Ų118151.8 Ų151.883%0.82580%0.801SS**  trans-157.2119.6141.8-69.60000107.5
132K23.2Very low23.7Very low204 Ų204148 Ų14889%0.88780%0.796SS**  trans-57.8138.7-177.3-76171.3170.8176.10112.3
133S21.7Very low24Very low85 Ų85147.2 Ų147.259%0.59480%0.797SS**  trans178.3114.1136.425.90000111.1
134T21.8Very low24.3Very low142 Ų142149 Ų14987%0.87180%0.801SS**  trans33.5136.8145.8460000122.6
135L23.5Very low24.6Very low172 Ų172145.4 Ų145.490%0.90179%0.787SS**  trans-58.5144.8-178.3-75.295.5000115.7
136S22.4Very low25.1Very low117 Ų117142.3 Ų142.382%0.81878%0.778SS**  trans-160.6133.4131.354.50000109.3
137E25.5Very low25.6Very low189 Ų189134.7 Ų134.788%0.88376%0.762SS**  trans-59.4152.8-179.2-63.6173.7147.500113.5
138P25.7Very low26.3Very low127 Ų127136 Ų13683%0.82576%0.758SS**  trans-112.7137.5157.231-17.3000112.5
139Q24.6Very low26.7Very low197 Ų197134.3 Ų134.392%0.92174%0.743SS**  trans-69.1152.8177.6-63-172.3-55.500113.3
140N26.7Very low27.3Very low150 Ų150131.2 Ų131.280%0.80273%0.726SS**  trans-39.9146.3172.5-75.4-32.5000115.8
141N24.6Very low28.1Very low161 Ų161127.2 Ų127.286%0.86171%0.71SS**  -168.5133.6129.2-91-29.2000115.2
142S26.5Very low29.1Very low107 Ų107122.4 Ų122.475%0.74868%0.675SS**  trans66.3114.8155.165.40000121.4
143A28.2Very low30Very low98 Ų98115 Ų11581%0.8164%0.644SS**  trans-90.311.2-176.600000115.6
144E29.8Very low31.1Very low182 Ų182117.3 Ų117.385%0.8564%0.644SS**THydrogen-bonded Turntrans-83.9-12.8-171.2-73.5176152.800114.8
145G31.8Very low32.3Very low41 Ų41118.8 Ų118.842%0.42364%0.638SS.*THydrogen-bonded Turntrans-85.5-16.2-175.100000116.5
146N32.5Very low33Very low93 Ų93111.2 Ų111.250%0.49760%0.598SS.*Hα-helixtrans-84.1-37.2-170.8-93.2-24.4000113.4H148 K149 Y150N146-H148 PolarHBondContact O-N 3.27Å; N146-K149 PolarHBondContact O-N 2.93Å; N146-Y150 WeakPolarHBondContact O-CD2 3.4Å; N146-Y150 PolarHBondContact O-N 2.83Å
147S34Very low33.9Very low84 Ų84111.8 Ų111.859%0.58759%0.592SS**Hα-helixtrans-59.1-46.9-178-165.80000112.1K149 Y150 D151S147-K149 PolarHBondContact O-N 3.42Å; S147-Y150 PolarHBondContact O-N 3.38Å; S147-D151 PolarHBondContact O-N 2.86Å
148H38.7Very low34.4Very low115 Ų115108.1 Ų108.153%0.53259%0.587SS.*Hα-helixtrans-64.5-28.6-176.1-150.652.1000113.3N146 I152N146-H148 PolarHBondContact O-N 3.27Å; H148-I152 WeakPolarHBondContact O-CD1 3.49Å; H148-I152 VanDerWaalsContact O-CG1 3.31Å; H148-I152 WeakPolarHBondContact O-CG1 3.29Å; H148-I152 PolarHBondContact O-N 3.42Å
149K36Very low35.3Very low61 Ų61107.1 Ų107.127%0.26557%0.57SS.*Hα-helixtrans-73.8-36.5178.7-167.8-177.3-176.2-179.90112.4N146 S147 L153N146-K149 PolarHBondContact O-N 2.93Å; S147-K149 PolarHBondContact O-N 3.42Å; K149-L153 HydrophobicContact CG-CD1 4.42Å; K149-L153 WeakPolarHBondContact O-CD1 3.37Å; K149-L153 WeakPolarHBondContact O-CG 3.31Å; K149-L153 PolarHBondContact O-N 3.08Å
150Y33Very low36Very low152 Ų152107 Ų10760%0.59657%0.566SS**Hα-helixtrans-69.7-36177-77.7-78.4000111.8N146 S147 L153 K154N146-Y150 WeakPolarHBondContact O-CD2 3.4Å; N146-Y150 PolarHBondContact O-N 2.83Å; S147-Y150 PolarHBondContact O-N 3.38Å; Y150-L153 PolarHBondContact O-N 2.82Å; Y150-K154 PolarHBondContact O-N 3.32Å; Y150-K154 VanDerWaalsContact O-N 3.1Å
151D38.6Very low36.6Very low77 Ų77102.7 Ų102.741%0.41255%0.548SS..Hα-helixtrans-70.2-38.8179.3-64.1-34.2000113S147 L153 K154 K155S147-D151 PolarHBondContact O-N 2.86Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.01Å; D151-K154 PolarHBondContact O-N 3.48Å; D151-K155 PolarHBondContact O-N 3.12Å
152I43Very low37.1Very low16 Ų16102.3 Ų102.38%0.08255%0.551CS.*Hα-helixtrans-66-34.9173.8-64166.1000110.8H148 N156 L301 L305H148-I152 WeakPolarHBondContact O-CD1 3.49Å; H148-I152 VanDerWaalsContact O-CG1 3.31Å; H148-I152 WeakPolarHBondContact O-CG1 3.29Å; H148-I152 PolarHBondContact O-N 3.42Å; I152-N156 PolarHBondContact O-ND2 3.33Å; I152-L301 HydrophobicContact CG2-CD2 4.05Å; I152-L305 HydrophobicContact CD1-CD1 4.17Å; I152-L305 HydrophobicContact CD1-CD2 4.26Å; I152-L305 HydrophobicContact CG2-CD1 4.22Å
153L41.7Very low37.8Very low48 Ų48100.5 Ų100.525%0.25153%0.533SS..Hα-helixtrans-69.8-39.8178.2-78.7162.2000112.6K149 Y150 D151 N156 L157 V298 I302K149-L153 HydrophobicContact CG-CD1 4.42Å; K149-L153 WeakPolarHBondContact O-CD1 3.37Å; K149-L153 WeakPolarHBondContact O-CG 3.31Å; K149-L153 PolarHBondContact O-N 3.08Å; Y150-L153 PolarHBondContact O-N 2.82Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.01Å; L153-N156 PolarHBondContact O-N 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-V298 HydrophobicContact CD2-CG1 3.37Å; L153-I302 HydrophobicContact CD1-CD1 4.43Å; L153-I302 HydrophobicContact CD2-CD1 3.78Å; L153-I302 HydrophobicContact CD2-CG1 4Å
154K43.8Very low38.5Very low134 Ų134104.6 Ų104.658%0.58353%0.532SS*.Hα-helixtrans-62.7-46.2179-77.8-177.3177.8-1790112.6Y150 D151 N156 L157Y150-K154 PolarHBondContact O-N 3.32Å; Y150-K154 VanDerWaalsContact O-N 3.1Å; D151-K154 PolarHBondContact O-N 3.48Å; K154-N156 PolarHBondContact O-N 3.5Å; K154-L157 PolarHBondContact O-N 2.93Å
155K47Very low39.2Very low174 Ų17499.6 Ų99.676%0.75752%0.517SS*.Hα-helixtrans-65.1-22-179.5-70.6-177177.8-179.30114.1D151D151-K155 PolarHBondContact O-N 3.12Å
156N39.3Very low39.9Very low12 Ų12104 Ų1046%0.06453%0.527CS..Hα-helixtrans-91.5-14-176.6-83.7-60000114I152 L153 K154 S158 Y286I152-N156 PolarHBondContact O-ND2 3.33Å; L153-N156 PolarHBondContact O-N 3.26Å; K154-N156 PolarHBondContact O-N 3.5Å; N156-S158 VanDerWaalsContact C-N 3.31Å; N156-S158 PolarHBondContact O-N 3.26Å; N156-Y286 HydrophobicContact CB-CD1 3.7Å; N156-Y286 HydrophobicContact CB-CE1 4.13Å; N156-Y286 WeakPolarHBondContact O-CE1 3.26Å; N156-Y286 WeakPolarHBondContact OD1-CA 3.48Å
157L40.1Very low40.9Very low129 Ų129107.8 Ų107.868%0.67553%0.534SS*.THydrogen-bonded Turntrans-76.4-13.4-177.3-76.5162.3000114.4L153 K154L153-L157 WeakPolarHBondContact O-CG 3.39Å; K154-L157 PolarHBondContact O-N 2.93Å
158S38Very low41.7Very low113 Ų113109 Ų10979%0.7953%0.533SS*.THydrogen-bonded Turntrans-78.8-15.2-179.9-172.50000114N156 K160N156-S158 VanDerWaalsContact C-N 3.31Å; N156-S158 PolarHBondContact O-N 3.26Å; S158-K160 PolarHBondContact O-N 2.99Å
159K42.7Very low41.7Very low105 Ų105110.2 Ų110.246%0.45754%0.543SS..  trans-93.492.8-174.6-60.7178.2-174178.20111.5P285K159-P285 HydrophobicContact CB-CB 4.03Å; K159-P285 HydrophobicContact CD-CB 3.92Å; K159-P285 VanDerWaalsContact CD-O 3.25Å; K159-P285 WeakPolarHBondContact CD-O 3.36Å; K159-P285 PolarHBondContact NZ-O 3.45Å
160K40Very low41.6Very low194 Ų194111 Ų11184%0.84357%0.569SS**  trans-113.8122.4167.1-79.3-178.9-179.6171.20110.1S158S158-K160 PolarHBondContact O-N 2.99Å
161S38.9Very low41.5Very low61 Ų61107.4 Ų107.443%0.42758%0.577SS.*  trans-83.5147.7169.843.60000111.5E283S161-E283 WeakPolarHBondContact CB-OE2 3.29Å; S161-E283 PolarHBondContact OG-OE2 2.89Å; S161-E283 VanDerWaalsContact OG-OE2 3.06Å
162V36.7Very low41.1Very low153 Ų153114 Ų11493%0.92760%0.602SS**  trans-80.5128.8176.3177.90000108.8
163I40.1Very low40.5Very low69 Ų69122.5 Ų122.535%0.35464%0.639SS.*  trans-124.9131-168.3-61.9177.1000111.5T274I163-T274 HydrophobicContact CD1-CG2 3.55Å
164K43Very low39.8Very low184 Ų184126.8 Ų126.880%0.866%0.661SS**  trans-85.8128.3168.6-67.5177-178.8175.60109.8Q277K164-Q277 PolarHBondContact O-NE2 3.32Å
165S44.7Very low38.9Very low76 Ų76128.9 Ų128.953%0.53168%0.678SS.*  trans-153.5148.2174.767.90000111.8
166E47Very low37.8Very low134 Ų134126.9 Ų126.963%0.62668%0.676SS**EExtended strand (participates in β ladder)trans-111.8140.8174.3-75.6177.2172.100111.4I261E166-I261 HydrophobicContact CG-CD1 4.12Å
167R51.8Low37.1Very low173 Ų173131.9 Ų131.965%0.65371%0.712SS**EExtended strand (participates in β ladder)trans-109.5121.4173.3-176-179.3-177.3177.2-0.4108.8
168I51.1Low36.4Very low110 Ų110132.7 Ų132.756%0.56472%0.716SS**  trans-86.9113.7176.7-55.5176.2000108.1G170I168-G170 PolarHBondContact O-N 2.68Å
169N39.8Very low36.1Very low139 Ų139137.4 Ų137.474%0.74372%0.723SS**  trans-83.3105172.6-79.2-19.5000109.5
170G34.3Very low35.2Very low78 Ų78137.7 Ų137.780%0.80474%0.738SS**  trans-83.7124.6165.500000110.4I168I168-G170 PolarHBondContact O-N 2.68Å
171G30.1Very low34.8Very low76 Ų76132.5 Ų132.578%0.78474%0.739SS**  trans-82139.1-169.400000115.8
172K30.9Very low34.1Very low215 Ų215133.2 Ų133.294%0.93575%0.749SS**  trans-143.9124.1137.2-67.9-169.9-178.7172.10108.9
173K30.5Very low33.7Very low195 Ų195130.8 Ų130.885%0.84875%0.745SS**  trans-78.6147.4175.1-129.4179.6-177.2178.50107.6
174L26.7Very low32.9Very low138 Ų138136.5 Ų136.572%0.72377%0.768SS**  cis-154.7144.333.3-77.5147.2000107.6
175L24.8Very low32.2Very low179 Ų179135.6 Ų135.694%0.93777%0.772SS**  -147.2134.782.3-119.2127.6000110.6
176N24.1Very low31.5Very low132 Ų132139.8 Ų139.871%0.70678%0.783SS**  trans-83.3136.1-170.1-135.115.8000111
177S23.9Very low30.8Very low117 Ų117138.6 Ų138.682%0.81879%0.789SS**  trans-154.290.4149-740000108.8
178N24.8Very low29.7Very low145 Ų145139.9 Ų139.978%0.77580%0.8SS**  trans52.3129.5147.5-60.2-13000121.7
179K32.4Very low28.9Very low212 Ų212140.4 Ų140.492%0.92281%0.813SS**  trans-50.2141171.7-63.5170.7175.4176.80112.6
180S24.3Very low28.3Very low111 Ų111141.7 Ų141.778%0.77682%0.819SS**  trans-146.790.5144.5450000109.6
181G30.8Very low28.1Very low85 Ų85144 Ų14488%0.87682%0.818SS**  trans-76.8115.1139.900000106
182A25Very low27.9Very low77 Ų77148.2 Ų148.264%0.63682%0.821SS**  trans-142.7110.9166.400000107.4
183A28.3Very low27.9Very low101 Ų101143.7 Ų143.784%0.83581%0.814SS**  trans-55.7140.7154.800000108.4
184F23.2Very low28.6Very low190 Ų190143.1 Ų143.183%0.83381%0.814SS**  trans-125.591.8170.5-130.1-92.4000108.6
185N28.1Very low28.8Very low164 Ų164142.9 Ų142.988%0.87782%0.818SS**  trans-126.6100.9154.8-91.3-28.2000106.2
186Q28.8Very low29.4Very low165 Ų165140.5 Ų140.577%0.77182%0.815SS**  trans-177.1121.5131.2-107175.114.100110.3
187S33.8Very low30Very low108 Ų108141.5 Ų141.576%0.75582%0.821SS**  trans-45.6129.1152.941.10000112.5
188K28.7Very low31.1Very low201 Ų201147.1 Ų147.187%0.87482%0.824SS**  trans-162.9128.2139.3-106.1166.6-169.6-179.30110.1
189S34.4Very low32.7Very low120 Ų120148.4 Ų148.484%0.83983%0.825SS**  trans-47.5130.4178-49.30000113.1
190L27.6Very low34.4Very low166 Ų166145.1 Ų145.187%0.86981%0.811SS**  trans-132.3118152-84.8164.8000107.3
191T28.3Very low37.1Very low127 Ų127145.3 Ų145.378%0.77980%0.802SS**  trans-33.2130.2172.836.60000114.4P193T191-P193 WeakPolarHBondContact O-CD 3.15Å
192L26.5Very low39.7Very low164 Ų164144.2 Ų144.286%0.85977%0.772SS**  trans-55.5127.6162.2-79.1153.6000110.3Q194L192-Q194 PolarHBondContact O-N 3.1Å
193P30.7Very low42.4Very low120 Ų120144.8 Ų144.878%0.77977%0.768SS**  trans-82.5105.7143.3-1.621.3000106.8T191 T195T191-P193 WeakPolarHBondContact O-CD 3.15Å; P193-T195 PolarHBondContact O-N 3.21Å; P193-T195 VanDerWaalsContact O-N 3.08Å
194Q45.6Very low45.2Very low184 Ų184140.1 Ų140.186%0.8673%0.729SS**  trans-53.6104.4169.9-157.6155.6-6.500110.2L192L192-Q194 PolarHBondContact O-N 3.1Å
195T31.4Very low48.2Very low132 Ų132135.2 Ų135.281%0.8172%0.718SS**  trans-145.2123.1152.350.70000109.6P193 N197P193-T195 PolarHBondContact O-N 3.21Å; P193-T195 VanDerWaalsContact O-N 3.08Å; T195-N197 PolarHBondContact O-N 2.91Å
196C36.3Very low50.8Low129 Ų129133.8 Ų133.887%0.87271%0.706SS**  trans-65.1123179.2-176.40000110.5
197N36.8Very low53.5Low154 Ų154128.2 Ų128.282%0.82469%0.685SS**  trans-114.3108.1169.1-119.50.4000109.6T195 E199T195-N197 PolarHBondContact O-N 2.91Å; N197-E199 PolarHBondContact O-N 3.05Å
198R46.6Very low55.7Low235 Ų235125.8 Ų125.889%0.88768%0.677SS**  trans-62.1100.2173.9-159.8179.4-160.51775.2108.4K200R198-K200 PolarHBondContact O-N 3.43Å
199E58.7Low58.2Low171 Ų171122.1 Ų122.180%0.79966%0.661SS**  trans-63106.5175.7-73.4-162.9160.200109.3N197 I201N197-E199 PolarHBondContact O-N 3.05Å; E199-I201 PolarHBondContact O-N 3.23Å; E199-I201 VanDerWaalsContact O-N 3.09Å
200K67.7Low60.7Low144 Ų144119.4 Ų119.463%0.62665%0.646SS**  trans-68.2108.7179-174.1171.6178.3178.80109R198 Y202R198-K200 PolarHBondContact O-N 3.43Å; K200-Y202 HydrophobicContact CB-CE2 4.31Å; K200-Y202 HydrophobicContact CD-CE1 3.91Å; K200-Y202 HydrophobicContact CG-CE1 4.04Å; K200-Y202 HydrophobicContact CG-CE2 4.3Å; K200-Y202 WeakPolarHBondContact O-CD2 3.35Å; K200-Y202 WeakPolarHBondContact O-CE2 3.36Å
201I82.3Confident63.4Low115 Ų115113.4 Ų113.459%0.5961%0.613SS**  trans-77.7134.3172.8-60.2174.1000108.9E199 T203 A210E199-I201 PolarHBondContact O-N 3.23Å; E199-I201 VanDerWaalsContact O-N 3.09Å; I201-T203 HydrophobicContact CG2-CG2 4.39Å; I201-A210 HydrophobicContact CG2-CB 3.63Å
202Y85.3Confident66.1Low61 Ų61110.1 Ų110.124%0.23960%0.604CS.*EExtended strand (participates in β ladder)trans-111.3117.8179.4-59.7-85000109.8K200 A210 F211 K213 Q214K200-Y202 HydrophobicContact CB-CE2 4.31Å; K200-Y202 HydrophobicContact CD-CE1 3.91Å; K200-Y202 HydrophobicContact CG-CE1 4.04Å; K200-Y202 HydrophobicContact CG-CE2 4.3Å; K200-Y202 WeakPolarHBondContact O-CD2 3.35Å; K200-Y202 WeakPolarHBondContact O-CE2 3.36Å; Y202-A210 CarbonylContact O-C 3.59Å; Y202-F211 PolarHBondContact N-O 3.38Å; Y202-F211 PolarHBondContact O-N 3.32Å; Y202-K213 VanDerWaalsContact CD2-C 3.42Å; Y202-Q214 HydrophobicContact CD1-CB 3.94Å; Y202-Q214 HydrophobicContact CD1-CG 4.4Å; Y202-Q214 HydrophobicContact CD2-CB 4.22Å; Y202-Q214 HydrophobicContact CE1-CB 3.73Å; Y202-Q214 HydrophobicContact CE1-CG 4.31Å; Y202-Q214 HydrophobicContact CE2-CB 4.05Å; Y202-Q214 VanDerWaalsContact CE2-N 3.29Å; Y202-Q214 HydrophobicContact CG-CB 4.14Å
203T81.1Confident69Low89 Ų89109 Ų10955%0.54659%0.593SS.*EExtended strand (participates in β ladder)trans-102141.1-175.751.40000111.9I201 K209 A210 L217I201-T203 HydrophobicContact CG2-CG2 4.39Å; T203-K209 CarbonylContact C-O 3.53Å; T203-K209 WeakPolarHBondContact CA-O 3.45Å; T203-A210 HydrophobicContact CG2-CB 4.24Å; T203-L217 WeakPolarHBondContact O-CD2 3.31Å
204C87.4Confident71.6Confident3 Ų3107.3 Ų107.32%0.0258%0.575CS.*  trans-77.1125.7171.3-172.70000110.3E206 G208 K209 F211 L217 H220C204-E206 VanDerWaalsContact C-N 3.31Å; C204-E206 PolarHBondContact O-N 3.42Å; C204-G208 WeakPolarHBondContact O-CA 3.34Å; C204-G208 PolarHBondContact O-N 3.22Å; C204-K209 PolarHBondContact N-O 3.35Å; C204-F211 HydrophobicContact CB-CE2 4.3Å; C204-L217 HydrophobicContact CB-CD1 3.64Å; C204-H220 PolarHBondContact SG-NE2 3.19Å; C204-H220 VanDerWaalsContact SG-NE2 3.42Å
205S85.3Confident73.4Confident87 Ų87102.3 Ų102.361%0.60856%0.56SS**THydrogen-bonded Turntrans-66.7-31.3177.750.50000113W221S205-W221 WeakPolarHBondContact OG-CZ2 3.44Å
206E82.8Confident75.9Confident134 Ų13498.7 Ų98.763%0.62654%0.535SS*.THydrogen-bonded Turntrans-82.8-34-174.9-64.6-59.213500113.8C204 H224C204-E206 VanDerWaalsContact C-N 3.31Å; C204-E206 PolarHBondContact O-N 3.42Å; E206-H224 HydrophobicContact CG-CB 4.41Å
207C85.6Confident78.3Confident48 Ų4893 Ų9332%0.32450%0.496SS..THydrogen-bonded Turntrans-131.48.2-176.169.60000114.9K209 H220 H224C207-K209 PolarHBondContact O-N 2.76Å; C207-H220 VanDerWaalsContact SG-CE1 3.59Å; C207-H220 PolarHBondContact SG-NE2 3.27Å; C207-H224 PolarHBondContact SG-NE2 3.1Å
208G80.7Confident80.6Confident57 Ų5788.5 Ų88.559%0.58848%0.477SS*.  trans69.8-1.9175.600000115.9C204 A210C204-G208 WeakPolarHBondContact O-CA 3.34Å; C204-G208 PolarHBondContact O-N 3.22Å; G208-A210 PolarHBondContact O-N 3.07Å
209K81.6Confident82.4Confident124 Ų12482.6 Ų82.654%0.53945%0.454SS..  trans-66.1132.3-176.2-71.4-178.5-177.9177.10112.3T203 C204 C207 F211T203-K209 CarbonylContact C-O 3.53Å; T203-K209 WeakPolarHBondContact CA-O 3.45Å; C204-K209 PolarHBondContact N-O 3.35Å; C207-K209 PolarHBondContact O-N 2.76Å; K209-F211 HydrophobicContact CB-CE2 3.78Å; K209-F211 HydrophobicContact CB-CZ 3.78Å; K209-F211 WeakPolarHBondContact O-CD2 3.44Å; K209-F211 VanDerWaalsContact O-CE2 3.27Å; K209-F211 WeakPolarHBondContact O-CE2 3.43Å
210A85.6Confident83.6Confident64 Ų6475.4 Ų75.453%0.52942%0.421SS..EExtended strand (participates in β ladder)trans-94.4140.5178.900000112.3I201 Y202 T203 G208I201-A210 HydrophobicContact CG2-CB 3.63Å; Y202-A210 CarbonylContact O-C 3.59Å; T203-A210 HydrophobicContact CG2-CB 4.24Å; G208-A210 PolarHBondContact O-N 3.07Å
211F85.4Confident84.4Confident39 Ų3973.8 Ų73.817%0.17141%0.411CS..EExtended strand (participates in β ladder)trans-134.8136.7179.6-55.7-84000110.4Y202 C204 K209 K213 I216 L217 H220Y202-F211 PolarHBondContact N-O 3.38Å; Y202-F211 PolarHBondContact O-N 3.32Å; C204-F211 HydrophobicContact CB-CE2 4.3Å; K209-F211 HydrophobicContact CB-CE2 3.78Å; K209-F211 HydrophobicContact CB-CZ 3.78Å; K209-F211 WeakPolarHBondContact O-CD2 3.44Å; K209-F211 VanDerWaalsContact O-CE2 3.27Å; K209-F211 WeakPolarHBondContact O-CE2 3.43Å; F211-K213 PolarHBondContact O-N 2.99Å; F211-K213 VanDerWaalsContact O-N 3.17Å; F211-I216 HydrophobicContact CB-CB 4.31Å; F211-I216 HydrophobicContact CB-CG2 4.37Å; F211-I216 HydrophobicContact CD1-CB 4.3Å; F211-I216 HydrophobicContact CD1-CG2 3.49Å; F211-I216 VanDerWaalsContact CD1-CG2 3.49Å; F211-I216 HydrophobicContact CE1-CG2 4.11Å; F211-I216 HydrophobicContact CG-CG2 4.17Å; F211-L217 HydrophobicContact CB-CB 4.33Å; F211-L217 HydrophobicContact CD2-CB 3.8Å; F211-L217 HydrophobicContact CD2-CD1 3.57Å; F211-L217 HydrophobicContact CD2-CG 4.26Å; F211-L217 HydrophobicContact CE2-CD1 3.62Å; F211-L217 HydrophobicContact CG-CB 4.27Å; F211-H220 HydrophobicContact CE1-CB 4.11Å; F211-H220 HydrophobicContact CE2-CB 4.02Å; F211-H220 AromaticContact CE2-CD2 3.54Å; F211-H220 AromaticContact CE2-CG 3.73Å; F211-H220 HydrophobicContact CZ-CB 3.59Å; F211-H220 AromaticContact CZ-CD2 3.55Å; F211-H220 AromaticContact CZ-CG 3.28Å; F211-H220 AromaticContact CZ-ND1 3.67Å
212G85.1Confident84.6Confident58 Ų5871.1 Ų71.160%0.59839%0.393SS*.SBendtrans-70.9-5.6177.700000114.9
213K87.1Confident84.6Confident141 Ų14172.9 Ų72.961%0.61341%0.406SS*.SBendtrans-144136.7179.4-64.2-176.6-176.9-179.10111.6Y202 F211 S215 I216 L217Y202-K213 VanDerWaalsContact CD2-C 3.42Å; F211-K213 PolarHBondContact O-N 2.99Å; F211-K213 VanDerWaalsContact O-N 3.17Å; K213-S215 VanDerWaalsContact C-N 3.27Å; K213-S215 PolarHBondContact O-N 3.42Å; K213-I216 HydrophobicContact CB-CG1 3.98Å; K213-I216 WeakPolarHBondContact O-CB 3.3Å; K213-I216 PolarHBondContact O-N 3.31Å; K213-L217 PolarHBondContact O-N 3.29Å
214Q85.1Confident84.9Confident85 Ų8572.4 Ų72.440%0.39740%0.397SS..Hα-helixtrans-57.4-39.1177.3-176.660.612.900112.2Y202 I216 L217 S218Y202-Q214 HydrophobicContact CD1-CB 3.94Å; Y202-Q214 HydrophobicContact CD1-CG 4.4Å; Y202-Q214 HydrophobicContact CD2-CB 4.22Å; Y202-Q214 HydrophobicContact CE1-CB 3.73Å; Y202-Q214 HydrophobicContact CE1-CG 4.31Å; Y202-Q214 HydrophobicContact CE2-CB 4.05Å; Y202-Q214 VanDerWaalsContact CE2-N 3.29Å; Y202-Q214 HydrophobicContact CG-CB 4.14Å; Q214-I216 PolarHBondContact O-N 3.37Å; Q214-L217 WeakPolarHBondContact O-CB 3.44Å; Q214-L217 PolarHBondContact O-N 3.18Å; Q214-L217 VanDerWaalsContact O-N 3.12Å; Q214-S218 PolarHBondContact O-N 3.2Å; Q214-S218 PolarHBondContact O-OG 3.28Å; Q214-S218 VanDerWaalsContact O-OG 3.11Å
215S84.1Confident84.8Confident79 Ų7975.9 Ų75.955%0.55242%0.418SS*.Hα-helixtrans-61.8-29.1178.958.50000113.5K213 R219K213-S215 VanDerWaalsContact C-N 3.27Å; K213-S215 PolarHBondContact O-N 3.42Å; S215-R219 VanDerWaalsContact O-CB 3.29Å; S215-R219 WeakPolarHBondContact O-CB 3.36Å; S215-R219 PolarHBondContact O-N 3.4Å; S215-R219 VanDerWaalsContact O-N 3.16Å
216I83.6Confident84.9Confident55 Ų5574 Ų7428%0.28241%0.413SS..Hα-helixtrans-77.4-41176.3-53.7-65.4000109.9F211 K213 Q214 R219 H220F211-I216 HydrophobicContact CB-CB 4.31Å; F211-I216 HydrophobicContact CB-CG2 4.37Å; F211-I216 HydrophobicContact CD1-CB 4.3Å; F211-I216 HydrophobicContact CD1-CG2 3.49Å; F211-I216 VanDerWaalsContact CD1-CG2 3.49Å; F211-I216 HydrophobicContact CE1-CG2 4.11Å; F211-I216 HydrophobicContact CG-CG2 4.17Å; K213-I216 HydrophobicContact CB-CG1 3.98Å; K213-I216 WeakPolarHBondContact O-CB 3.3Å; K213-I216 PolarHBondContact O-N 3.31Å; Q214-I216 PolarHBondContact O-N 3.37Å; I216-R219 VanDerWaalsContact CD1-NH2 3.29Å; I216-R219 PolarHBondContact O-N 3.32Å; I216-H220 WeakPolarHBondContact O-CB 3.28Å; I216-H220 PolarHBondContact O-N 3.08Å
217L86.3Confident85.1Confident10 Ų1072.9 Ų72.95%0.05241%0.407CS..Hα-helixtrans-61.1-49.7172.9175.262.5000111.5T203 C204 F211 K213 Q214 R219 H220 W221T203-L217 WeakPolarHBondContact O-CD2 3.31Å; C204-L217 HydrophobicContact CB-CD1 3.64Å; F211-L217 HydrophobicContact CB-CB 4.33Å; F211-L217 HydrophobicContact CD2-CB 3.8Å; F211-L217 HydrophobicContact CD2-CD1 3.57Å; F211-L217 HydrophobicContact CD2-CG 4.26Å; F211-L217 HydrophobicContact CE2-CD1 3.62Å; F211-L217 HydrophobicContact CG-CB 4.27Å; K213-L217 PolarHBondContact O-N 3.29Å; Q214-L217 WeakPolarHBondContact O-CB 3.44Å; Q214-L217 PolarHBondContact O-N 3.18Å; Q214-L217 VanDerWaalsContact O-N 3.12Å; L217-R219 PolarHBondContact O-N 2.85Å; L217-H220 CarbonylContact O-C 3.15Å; L217-H220 WeakPolarHBondContact O-CA 3.42Å; L217-H220 WeakPolarHBondContact O-CB 3.38Å; L217-H220 PolarHBondContact O-N 2.86Å; L217-W221 VanDerWaalsContact O-CD1 3.3Å; L217-W221 PolarHBondContact O-N 3.34Å
218S84.7Confident85.3Confident60 Ų6075.6 Ų75.642%0.4241%0.414SS..Hα-helixtrans-58.9-35.2177.1-58.70000112.3Q214Q214-S218 PolarHBondContact O-N 3.2Å; Q214-S218 PolarHBondContact O-OG 3.28Å; Q214-S218 VanDerWaalsContact O-OG 3.11Å
219R84.1Confident85.7Confident111 Ų11176.6 Ų76.642%0.41941%0.41SS..Hα-helixtrans-72.3-37.7174.2-176.1176.571.3-173.30.1112.1S215 I216 L217 W221 R222 H241S215-R219 VanDerWaalsContact O-CB 3.29Å; S215-R219 WeakPolarHBondContact O-CB 3.36Å; S215-R219 PolarHBondContact O-N 3.4Å; S215-R219 VanDerWaalsContact O-N 3.16Å; I216-R219 VanDerWaalsContact CD1-NH2 3.29Å; I216-R219 PolarHBondContact O-N 3.32Å; L217-R219 PolarHBondContact O-N 2.85Å; R219-W221 VanDerWaalsContact C-N 3.31Å; R219-R222 WeakPolarHBondContact O-CB 3.48Å; R219-R222 PolarHBondContact O-N 3.36Å; R219-H241 VanDerWaalsContact CD-CE1 3.46Å; R219-H241 WeakPolarHBondContact CD-CE1 3.4Å; R219-H241 WeakPolarHBondContact CD-ND1 3.22Å; R219-H241 VanDerWaalsContact CG-CE1 3.4Å; R219-H241 WeakPolarHBondContact CG-CE1 3.44Å
220H85.1Confident86.1Confident20 Ų2074.9 Ų74.99%0.09340%0.401CS..Hα-helixtrans-64.4-36.3175.4165.574.1000111.9C204 C207 F211 I216 L217 R222 I223 H224C204-H220 PolarHBondContact SG-NE2 3.19Å; C204-H220 VanDerWaalsContact SG-NE2 3.42Å; C207-H220 VanDerWaalsContact SG-CE1 3.59Å; C207-H220 PolarHBondContact SG-NE2 3.27Å; F211-H220 HydrophobicContact CE1-CB 4.11Å; F211-H220 HydrophobicContact CE2-CB 4.02Å; F211-H220 AromaticContact CE2-CD2 3.54Å; F211-H220 AromaticContact CE2-CG 3.73Å; F211-H220 HydrophobicContact CZ-CB 3.59Å; F211-H220 AromaticContact CZ-CD2 3.55Å; F211-H220 AromaticContact CZ-CG 3.28Å; F211-H220 AromaticContact CZ-ND1 3.67Å; I216-H220 WeakPolarHBondContact O-CB 3.28Å; I216-H220 PolarHBondContact O-N 3.08Å; L217-H220 CarbonylContact O-C 3.15Å; L217-H220 WeakPolarHBondContact O-CA 3.42Å; L217-H220 WeakPolarHBondContact O-CB 3.38Å; L217-H220 PolarHBondContact O-N 2.86Å; H220-R222 PolarHBondContact O-N 3.33Å; H220-I223 VanDerWaalsContact O-CB 3.28Å; H220-I223 WeakPolarHBondContact O-CB 3.45Å; H220-I223 WeakPolarHBondContact O-CG1 3.43Å; H220-I223 PolarHBondContact O-N 2.84Å; H220-H224 AromaticContact CE1-NE2 3.91Å; H220-H224 AromaticContact NE2-CD2 3.95Å; H220-H224 AromaticContact NE2-NE2 3.4Å; H220-H224 PolarHBondContact NE2-NE2 3.31Å
221W83.6Confident86.5Confident110 Ų11077.6 Ų77.642%0.41740%0.402SS..Hα-helixtrans-54.2-26.9175.5-91.948.5000114S205 L217 R219 I223 H224 T225S205-W221 WeakPolarHBondContact OG-CZ2 3.44Å; L217-W221 VanDerWaalsContact O-CD1 3.3Å; L217-W221 PolarHBondContact O-N 3.34Å; R219-W221 VanDerWaalsContact C-N 3.31Å; W221-I223 PolarHBondContact O-N 2.81Å; W221-I223 VanDerWaalsContact O-N 3.1Å; W221-H224 PolarHBondContact O-N 3.08Å; W221-T225 PolarHBondContact O-N 3.11Å; W221-T225 PolarHBondContact O-OG1 3.4Å
222R88Confident86.8Confident58 Ų5875.8 Ų75.822%0.21939%0.394CS..Hα-helixtrans-60.9-19.3174.2-59.9-178.2-175.7163.71.8113.8R219 H220 T225 G226 E227 S240R219-R222 WeakPolarHBondContact O-CB 3.48Å; R219-R222 PolarHBondContact O-N 3.36Å; H220-R222 PolarHBondContact O-N 3.33Å; R222-T225 WeakPolarHBondContact CA-OG1 3.25Å; R222-G226 WeakPolarHBondContact O-CA 3.36Å; R222-G226 PolarHBondContact O-N 3.47Å; R222-E227 HydrophobicContact CB-CB 4.41Å; R222-E227 HydrophobicContact CG-CB 4.2Å; R222-S240 PolarHBondContact NH1-O 3.3Å
223I85Confident87.2Confident99 Ų9984.7 Ų84.751%0.50841%0.41SS..Hα-helixtrans-70.2-38.5173.4-60.3176000110.2H220 W221H220-I223 VanDerWaalsContact O-CB 3.28Å; H220-I223 WeakPolarHBondContact O-CB 3.45Å; H220-I223 WeakPolarHBondContact O-CG1 3.43Å; H220-I223 PolarHBondContact O-N 2.84Å; W221-I223 PolarHBondContact O-N 2.81Å; W221-I223 VanDerWaalsContact O-N 3.1Å
224H86.1Confident87.3Confident78 Ų7884.1 Ų84.136%0.36141%0.41SS..Hα-helixtrans-79.5-45.3179.6-63.3-68.1000111.7E206 C207 H220 W221 G226E206-H224 HydrophobicContact CG-CB 4.41Å; C207-H224 PolarHBondContact SG-NE2 3.1Å; H220-H224 AromaticContact CE1-NE2 3.91Å; H220-H224 AromaticContact NE2-CD2 3.95Å; H220-H224 AromaticContact NE2-NE2 3.4Å; H220-H224 PolarHBondContact NE2-NE2 3.31Å; W221-H224 PolarHBondContact O-N 3.08Å; H224-G226 VanDerWaalsContact C-N 3.3Å; H224-G226 PolarHBondContact O-N 3.28Å
225T86.3Confident87.6Confident76 Ų7682.6 Ų82.647%0.46641%0.408SS..Hα-helixtrans-77.7-16.6-178.663.20000113.3W221 R222 E227W221-T225 PolarHBondContact O-N 3.11Å; W221-T225 PolarHBondContact O-OG1 3.4Å; R222-T225 WeakPolarHBondContact CA-OG1 3.25Å; T225-E227 PolarHBondContact O-N 3.19Å; T225-E227 WeakPolarHBondContact OG1-CG 3.43Å; T225-E227 PolarHBondContact OG1-N 3.46Å
226G86.4Confident87.9Confident48 Ų4880.8 Ų80.850%0.49540%0.401SS..  trans70.38.4-174.700000114.1R222 H224 K228R222-G226 WeakPolarHBondContact O-CA 3.36Å; R222-G226 PolarHBondContact O-N 3.47Å; H224-G226 VanDerWaalsContact C-N 3.3Å; H224-G226 PolarHBondContact O-N 3.28Å; G226-K228 PolarHBondContact O-N 2.78Å
227E87.4Confident88.2Confident110 Ų11084 Ų8451%0.51441%0.414SS..  trans-58.5129.9179.8-80.1-178.1-175.500112.2R222 T225R222-E227 HydrophobicContact CB-CB 4.41Å; R222-E227 HydrophobicContact CG-CB 4.2Å; T225-E227 PolarHBondContact O-N 3.19Å; T225-E227 WeakPolarHBondContact OG1-CG 3.43Å; T225-E227 PolarHBondContact OG1-N 3.46Å
228K90Very high88.4Confident106 Ų10686.5 Ų86.546%0.46143%0.429SS..  trans-129.576179.5-70.1172.1-178.5179.90111G226 Y230 T238 F239G226-K228 PolarHBondContact O-N 2.78Å; K228-Y230 PolarHBondContact O-N 3.11Å; K228-Y230 VanDerWaalsContact O-N 3.1Å; K228-T238 WeakPolarHBondContact CB-OG1 3.43Å; K228-T238 WeakPolarHBondContact CD-OG1 3.46Å; K228-F239 CarbonylContact C-O 3.57Å; K228-F239 VanDerWaalsContact CA-O 3.24Å; K228-F239 WeakPolarHBondContact CA-O 3.32Å
229P88.7Confident88.5Confident77 Ų7785.6 Ų85.650%0.542%0.418SS..  trans-67.9-13.1-170.9-21.234.2000115
230Y90.8Very high88.6Confident89 Ų8982 Ų8235%0.34941%0.41SS..EExtended strand (participates in β ladder)trans-105.4106.1-172.9-57-83000110.5K228 T238 F239 S240 G242K228-Y230 PolarHBondContact O-N 3.11Å; K228-Y230 VanDerWaalsContact O-N 3.1Å; Y230-T238 CarbonylContact O-C 3.58Å; Y230-T238 VanDerWaalsContact O-CA 3.31Å; Y230-T238 WeakPolarHBondContact O-CA 3.49Å; Y230-F239 WeakPolarHBondContact CD2-O 3.46Å; Y230-F239 PolarHBondContact N-O 3.13Å; Y230-F239 VanDerWaalsContact N-O 3.07Å; Y230-F239 PolarHBondContact O-N 3.03Å; Y230-S240 WeakPolarHBondContact CE2-O 3.33Å; Y230-G242 VanDerWaalsContact CD2-N 3.26Å
231E93.1Very high88.5Confident120 Ų12083.7 Ų83.756%0.56142%0.417SS*.EExtended strand (participates in β ladder)trans-98.9137.3-179.7-171.4-179.6161.900112.5T238 L245E231-T238 HydrophobicContact CB-CG2 4.07Å; E231-T238 HydrophobicContact CG-CG2 3.97Å; E231-L245 WeakPolarHBondContact O-CD2 3.39Å
232C92.5Very high88.6Confident1 Ų179.5 Ų79.51%0.00741%0.408CS..  trans-80.3115.2168.7-177.30000110.4E234 C235 G236 K237 F239 L245C232-E234 PolarHBondContact O-N 3.16Å; C232-C235 PolarHBondContact O-N 2.72Å; C232-G236 VanDerWaalsContact O-CA 3.26Å; C232-G236 WeakPolarHBondContact O-CA 3.19Å; C232-G236 PolarHBondContact O-N 3.46Å; C232-K237 WeakPolarHBondContact CB-O 3.41Å; C232-K237 PolarHBondContact N-O 3.48Å; C232-F239 HydrophobicContact CB-CE2 4.32Å; C232-L245 HydrophobicContact CB-CD1 3.6Å
233R92.3Very high88.3Confident245 Ų24581 Ų8193%0.92543%0.428SS*.THydrogen-bonded Turntrans-63.9-20.6178.6-64.4-173.6178.7-168.8-1.4114.4
234E90.2Very high88.3Confident130 Ų13077.3 Ų77.361%0.60741%0.41SS*.THydrogen-bonded Turntrans-86.1-30.2-177.1-64.9-178.6-146.900113.4C232 H252C232-E234 PolarHBondContact O-N 3.16Å; E234-H252 WeakPolarHBondContact OE2-CB 3.46Å; E234-H252 IonicContact OE2-CD2 3.03Å; E234-H252 IonicContact OE2-CG 2.69Å; E234-H252 IonicContact OE2-ND1 2.95Å; E234-H252 PolarHBondContact OE2-ND1 2.92Å
235C91.8Very high88.4Confident52 Ų5274.6 Ų74.635%0.35140%0.399SS..THydrogen-bonded Turntrans-135.46.4-177.370.10000115.2C232 K237 H248 H252C232-C235 PolarHBondContact O-N 2.72Å; C235-K237 PolarHBondContact O-N 3.4Å; C235-K237 VanDerWaalsContact O-N 3.1Å; C235-K237 VanDerWaalsContact SG-CG 3.58Å; C235-H248 PolarHBondContact SG-NE2 3Å; C235-H252 PolarHBondContact SG-NE2 3.45Å; C235-H252 VanDerWaalsContact SG-NE2 3.36Å
236G89.3Confident88.3Confident41 Ų4175.1 Ų75.142%0.42340%0.402SS..  trans67.94.1179.700000114.9C232 T238C232-G236 VanDerWaalsContact O-CA 3.26Å; C232-G236 WeakPolarHBondContact O-CA 3.19Å; C232-G236 PolarHBondContact O-N 3.46Å; G236-T238 PolarHBondContact O-N 2.88Å
237K90.3Very high88.2Confident124 Ų12479.2 Ų79.254%0.53940%0.402SS..  trans-70.8132.6-179.5-74.1-179.3-176.9172.90111.1C232 C235 F239C232-K237 WeakPolarHBondContact CB-O 3.41Å; C232-K237 PolarHBondContact N-O 3.48Å; C235-K237 PolarHBondContact O-N 3.4Å; C235-K237 VanDerWaalsContact O-N 3.1Å; C235-K237 VanDerWaalsContact SG-CG 3.58Å; K237-F239 HydrophobicContact CB-CE2 3.97Å; K237-F239 HydrophobicContact CB-CZ 4.05Å; K237-F239 VanDerWaalsContact O-CE2 3.31Å; K237-F239 WeakPolarHBondContact O-CE2 3.45Å
238T90.4Very high88.2Confident61 Ų6175.3 Ų75.337%0.37438%0.384SS..EExtended strand (participates in β ladder)trans-104.4147.4-178.760.30000112.6K228 Y230 E231 G236K228-T238 WeakPolarHBondContact CB-OG1 3.43Å; K228-T238 WeakPolarHBondContact CD-OG1 3.46Å; Y230-T238 CarbonylContact O-C 3.58Å; Y230-T238 VanDerWaalsContact O-CA 3.31Å; Y230-T238 WeakPolarHBondContact O-CA 3.49Å; E231-T238 HydrophobicContact CB-CG2 4.07Å; E231-T238 HydrophobicContact CG-CG2 3.97Å; G236-T238 PolarHBondContact O-N 2.88Å
239F87.9Confident88Confident41 Ų4174.1 Ų74.118%0.1838%0.38CS..EExtended strand (participates in β ladder)trans-132.9148-176.9-57.2-88.5000111.2K228 Y230 C232 K237 H241 L245 H248K228-F239 CarbonylContact C-O 3.57Å; K228-F239 VanDerWaalsContact CA-O 3.24Å; K228-F239 WeakPolarHBondContact CA-O 3.32Å; Y230-F239 WeakPolarHBondContact CD2-O 3.46Å; Y230-F239 PolarHBondContact N-O 3.13Å; Y230-F239 VanDerWaalsContact N-O 3.07Å; Y230-F239 PolarHBondContact O-N 3.03Å; C232-F239 HydrophobicContact CB-CE2 4.32Å; K237-F239 HydrophobicContact CB-CE2 3.97Å; K237-F239 HydrophobicContact CB-CZ 4.05Å; K237-F239 VanDerWaalsContact O-CE2 3.31Å; K237-F239 WeakPolarHBondContact O-CE2 3.45Å; F239-H241 VanDerWaalsContact C-N 3.3Å; F239-L245 HydrophobicContact CB-CB 4.4Å; F239-L245 HydrophobicContact CD2-CB 3.82Å; F239-L245 HydrophobicContact CD2-CD1 3.82Å; F239-L245 HydrophobicContact CD2-CG 4.42Å; F239-L245 HydrophobicContact CE2-CD1 3.87Å; F239-L245 HydrophobicContact CG-CB 4.26Å; F239-H248 HydrophobicContact CE1-CB 3.9Å; F239-H248 HydrophobicContact CE2-CB 3.97Å; F239-H248 AromaticContact CE2-CD2 3.35Å; F239-H248 WeakPolarHBondContact CE2-CD2 3.45Å; F239-H248 AromaticContact CE2-CG 3.79Å; F239-H248 HydrophobicContact CZ-CB 3.43Å; F239-H248 VanDerWaalsContact CZ-CB 3.43Å; F239-H248 AromaticContact CZ-CD2 3.27Å; F239-H248 WeakPolarHBondContact CZ-CD2 3.29Å; F239-H248 AromaticContact CZ-CG 3.25Å; F239-H248 AromaticContact CZ-ND1 3.97Å; F239-H248 AromaticContact CZ-NE2 3.94Å
240S84.8Confident88Confident36 Ų3672.2 Ų72.225%0.25237%0.365SS..SBendtrans-77-17176.354.10000113.4R222 Y230R222-S240 PolarHBondContact NH1-O 3.3Å; Y230-S240 WeakPolarHBondContact CE2-O 3.33Å
241H83.7Confident87.8Confident56 Ų5671.7 Ų71.726%0.25938%0.375SS..SBendtrans-134.9137.8-178.6-56.9-79.2000112.1R219 F239 S243 S244 L245R219-H241 VanDerWaalsContact CD-CE1 3.46Å; R219-H241 WeakPolarHBondContact CD-CE1 3.4Å; R219-H241 WeakPolarHBondContact CD-ND1 3.22Å; R219-H241 VanDerWaalsContact CG-CE1 3.4Å; R219-H241 WeakPolarHBondContact CG-CE1 3.44Å; F239-H241 VanDerWaalsContact C-N 3.3Å; H241-S243 VanDerWaalsContact C-N 3.3Å; H241-S243 PolarHBondContact O-N 3.16Å; H241-S244 WeakPolarHBondContact O-CB 3.46Å; H241-S244 PolarHBondContact O-N 2.9Å; H241-L245 PolarHBondContact O-N 2.63Å
242G84.6Confident87.5Confident22 Ų2269.5 Ų69.523%0.22736%0.364CS..Hα-helixtrans-60.1-37.7176.400000113Y230 S244 L245 T246Y230-G242 VanDerWaalsContact CD2-N 3.26Å; G242-S244 PolarHBondContact O-N 3.01Å; G242-L245 WeakPolarHBondContact O-CB 3.39Å; G242-L245 PolarHBondContact O-N 3.28Å; G242-L245 VanDerWaalsContact O-N 3.09Å; G242-T246 PolarHBondContact O-N 3Å; G242-T246 PolarHBondContact O-OG1 2.61Å; G242-T246 VanDerWaalsContact O-OG1 3.13Å
243S82.9Confident87.2Confident89 Ų8972.6 Ų72.662%0.62239%0.386SS*.Hα-helixtrans-60.9-30.7174.457.90000113.3H241 R247H241-S243 VanDerWaalsContact C-N 3.3Å; H241-S243 PolarHBondContact O-N 3.16Å; S243-R247 VanDerWaalsContact O-CB 3.31Å; S243-R247 WeakPolarHBondContact O-CB 3.37Å; S243-R247 PolarHBondContact O-N 3.49Å
244S84.3Confident86.8Confident21 Ų2163.3 Ų63.315%0.14737%0.367CS..Hα-helixtrans-73.8-38.1175.6-64.60000111.5H241 G242 R247 H248H241-S244 WeakPolarHBondContact O-CB 3.46Å; H241-S244 PolarHBondContact O-N 2.9Å; G242-S244 PolarHBondContact O-N 3.01Å; S244-R247 PolarHBondContact O-N 3.05Å; S244-H248 WeakPolarHBondContact O-CB 3.45Å; S244-H248 PolarHBondContact O-N 2.88Å
245L88.3Confident86.7Confident22 Ų2262.9 Ų62.912%0.11537%0.365CS..Hα-helixtrans-62.6-49.6171.3172.561.3000111.2E231 C232 F239 H241 G242 R247 H248 Q249E231-L245 WeakPolarHBondContact O-CD2 3.39Å; C232-L245 HydrophobicContact CB-CD1 3.6Å; F239-L245 HydrophobicContact CB-CB 4.4Å; F239-L245 HydrophobicContact CD2-CB 3.82Å; F239-L245 HydrophobicContact CD2-CD1 3.82Å; F239-L245 HydrophobicContact CD2-CG 4.42Å; F239-L245 HydrophobicContact CE2-CD1 3.87Å; F239-L245 HydrophobicContact CG-CB 4.26Å; H241-L245 PolarHBondContact O-N 2.63Å; G242-L245 WeakPolarHBondContact O-CB 3.39Å; G242-L245 PolarHBondContact O-N 3.28Å; G242-L245 VanDerWaalsContact O-N 3.09Å; L245-R247 VanDerWaalsContact C-N 3.29Å; L245-R247 PolarHBondContact O-N 3.44Å; L245-H248 CarbonylContact O-C 3.2Å; L245-H248 WeakPolarHBondContact O-CA 3.48Å; L245-H248 WeakPolarHBondContact O-CB 3.41Å; L245-H248 PolarHBondContact O-N 3Å; L245-Q249 HydrophobicContact CD1-CG 4.23Å; L245-Q249 WeakPolarHBondContact O-CG 3.25Å; L245-Q249 PolarHBondContact O-N 3.2Å
246T85.1Confident86.5Confident86 Ų8666.6 Ų66.653%0.52838%0.375SS..Hα-helixtrans-57.3-43.7177.1-540000111.5G242 H248 Q249G242-T246 PolarHBondContact O-N 3Å; G242-T246 PolarHBondContact O-OG1 2.61Å; G242-T246 VanDerWaalsContact O-OG1 3.13Å; T246-H248 VanDerWaalsContact C-N 3.31Å; T246-H248 PolarHBondContact O-N 3.23Å; T246-Q249 PolarHBondContact O-N 3.42Å
247R84.3Confident86.4Confident135 Ų13566 Ų6651%0.50936%0.364SS..Hα-helixtrans-62.7-39.2175.3-178.7175.159-154.4-4.9112.1S243 S244 L245 I250 H269S243-R247 VanDerWaalsContact O-CB 3.31Å; S243-R247 WeakPolarHBondContact O-CB 3.37Å; S243-R247 PolarHBondContact O-N 3.49Å; S244-R247 PolarHBondContact O-N 3.05Å; L245-R247 VanDerWaalsContact C-N 3.29Å; L245-R247 PolarHBondContact O-N 3.44Å; R247-I250 WeakPolarHBondContact O-CB 3.25Å; R247-I250 PolarHBondContact O-N 3.11Å; R247-H269 WeakPolarHBondContact CG-CE1 3.28Å
248H87Confident86.3Confident28 Ų2863 Ų6313%0.1335%0.349CS..Hα-helixtrans-67.7-36.8177.7168.758.9000112.2C235 F239 S244 L245 T246 I250 S251 H252C235-H248 PolarHBondContact SG-NE2 3Å; F239-H248 HydrophobicContact CE1-CB 3.9Å; F239-H248 HydrophobicContact CE2-CB 3.97Å; F239-H248 AromaticContact CE2-CD2 3.35Å; F239-H248 WeakPolarHBondContact CE2-CD2 3.45Å; F239-H248 AromaticContact CE2-CG 3.79Å; F239-H248 HydrophobicContact CZ-CB 3.43Å; F239-H248 VanDerWaalsContact CZ-CB 3.43Å; F239-H248 AromaticContact CZ-CD2 3.27Å; F239-H248 WeakPolarHBondContact CZ-CD2 3.29Å; F239-H248 AromaticContact CZ-CG 3.25Å; F239-H248 AromaticContact CZ-ND1 3.97Å; F239-H248 AromaticContact CZ-NE2 3.94Å; S244-H248 WeakPolarHBondContact O-CB 3.45Å; S244-H248 PolarHBondContact O-N 2.88Å; L245-H248 CarbonylContact O-C 3.2Å; L245-H248 WeakPolarHBondContact O-CA 3.48Å; L245-H248 WeakPolarHBondContact O-CB 3.41Å; L245-H248 PolarHBondContact O-N 3Å; T246-H248 VanDerWaalsContact C-N 3.31Å; T246-H248 PolarHBondContact O-N 3.23Å; H248-I250 PolarHBondContact O-N 3.31Å; H248-S251 PolarHBondContact ND1-OG 3.28Å; H248-S251 VanDerWaalsContact O-CB 3.29Å; H248-S251 WeakPolarHBondContact O-CB 3.41Å; H248-S251 PolarHBondContact O-N 3.05Å; H248-S251 PolarHBondContact O-OG 3.38Å; H248-H252 AromaticContact CE1-NE2 3.46Å; H248-H252 PolarHBondContact CE1-NE2 2.9Å; H248-H252 AromaticContact NE2-CD2 3.84Å; H248-H252 AromaticContact NE2-NE2 3.27Å; H248-H252 PolarHBondContact NE2-NE2 3.34Å
249Q86.2Confident86.3Confident81 Ų8164.9 Ų64.938%0.37935%0.353SS..Hα-helixtrans-58.9-29.9177.5-73.7171.8-43.400113L245 T246 S251 H252 S253L245-Q249 HydrophobicContact CD1-CG 4.23Å; L245-Q249 WeakPolarHBondContact O-CG 3.25Å; L245-Q249 PolarHBondContact O-N 3.2Å; T246-Q249 PolarHBondContact O-N 3.42Å; Q249-S251 PolarHBondContact O-N 3.2Å; Q249-H252 WeakPolarHBondContact O-CB 3.31Å; Q249-H252 PolarHBondContact O-N 2.99Å; Q249-S253 PolarHBondContact O-N 3.39Å
250I87.8Confident86.4Confident36 Ų3663 Ų6319%0.18534%0.344CS..Hα-helixtrans-59.4-30.2173.1-57.7170.9000111.6R247 H248 H252 S253 G254 E255R247-I250 WeakPolarHBondContact O-CB 3.25Å; R247-I250 PolarHBondContact O-N 3.11Å; H248-I250 PolarHBondContact O-N 3.31Å; I250-H252 PolarHBondContact O-N 2.92Å; I250-S253 PolarHBondContact O-OG 3.32Å; I250-G254 PolarHBondContact O-N 3.22Å; I250-G254 VanDerWaalsContact O-N 3.1Å; I250-E255 HydrophobicContact CG2-CB 4.35Å; I250-E255 WeakPolarHBondContact CG2-O 3.39Å
251S86.6Confident86.5Confident79 Ų7966.1 Ų66.155%0.55236%0.357SS*.Hα-helixtrans-69.5-22.1176.972.40000113.6H248 Q249H248-S251 PolarHBondContact ND1-OG 3.28Å; H248-S251 VanDerWaalsContact O-CB 3.29Å; H248-S251 WeakPolarHBondContact O-CB 3.41Å; H248-S251 PolarHBondContact O-N 3.05Å; H248-S251 PolarHBondContact O-OG 3.38Å; Q249-S251 PolarHBondContact O-N 3.2Å
252H87.4Confident86.7Confident73 Ų7369.2 Ų69.234%0.33837%0.372SS..Hα-helixtrans-86-45175.2-72.2-70.5000112.3E234 C235 H248 Q249 I250 G254E234-H252 WeakPolarHBondContact OE2-CB 3.46Å; E234-H252 IonicContact OE2-CD2 3.03Å; E234-H252 IonicContact OE2-CG 2.69Å; E234-H252 IonicContact OE2-ND1 2.95Å; E234-H252 PolarHBondContact OE2-ND1 2.92Å; C235-H252 PolarHBondContact SG-NE2 3.45Å; C235-H252 VanDerWaalsContact SG-NE2 3.36Å; H248-H252 AromaticContact CE1-NE2 3.46Å; H248-H252 PolarHBondContact CE1-NE2 2.9Å; H248-H252 AromaticContact NE2-CD2 3.84Å; H248-H252 AromaticContact NE2-NE2 3.27Å; H248-H252 PolarHBondContact NE2-NE2 3.34Å; Q249-H252 WeakPolarHBondContact O-CB 3.31Å; Q249-H252 PolarHBondContact O-N 2.99Å; I250-H252 PolarHBondContact O-N 2.92Å; H252-G254 PolarHBondContact O-N 3.23Å
253S85.8Confident86.9Confident66 Ų6670.7 Ų70.746%0.46238%0.378SS..Hα-helixtrans-68.8-20.1178.965.40000113Q249 I250 E255Q249-S253 PolarHBondContact O-N 3.39Å; I250-S253 PolarHBondContact O-OG 3.32Å; S253-E255 PolarHBondContact O-N 3.39Å; S253-E255 WeakPolarHBondContact OG-CB 3.31Å; S253-E255 WeakPolarHBondContact OG-CG 3.4Å; S253-E255 PolarHBondContact OG-N 3.15Å
254G84.7Confident87.1Confident51 Ų5168.1 Ų68.153%0.52637%0.365SS..  trans697.2-174.300000113.2I250 H252I250-G254 PolarHBondContact O-N 3.22Å; I250-G254 VanDerWaalsContact O-N 3.1Å; H252-G254 PolarHBondContact O-N 3.23Å
255E87.5Confident87.4Confident121 Ų12173.2 Ų73.257%0.56539%0.385SS*.  trans-59.9139178.4-74.9179.3-172.900110.7I250 S253I250-E255 HydrophobicContact CG2-CB 4.35Å; I250-E255 WeakPolarHBondContact CG2-O 3.39Å; S253-E255 PolarHBondContact O-N 3.39Å; S253-E255 WeakPolarHBondContact OG-CB 3.31Å; S253-E255 WeakPolarHBondContact OG-CG 3.4Å; S253-E255 PolarHBondContact OG-N 3.15Å
256K88.6Confident87.5Confident129 Ų12974 Ų7456%0.56139%0.394SS*.  trans-127.475.3178.7-70.8171.6175.3-174.50109.8Y258 A266 F267K256-Y258 PolarHBondContact O-N 3.23Å; K256-Y258 VanDerWaalsContact O-N 3.12Å; K256-A266 HydrophobicContact CB-CB 3.54Å; K256-A266 HydrophobicContact CD-CB 4.23Å; K256-A266 WeakPolarHBondContact CD-O 3.41Å; K256-A266 HydrophobicContact CG-CB 4.49Å; K256-F267 CarbonylContact C-O 3.22Å; K256-F267 VanDerWaalsContact CA-O 3.26Å; K256-F267 WeakPolarHBondContact CA-O 3.26Å
257P86.7Confident87.6Confident29 Ų2971.9 Ų71.919%0.18838%0.378CS..  trans-67.8-14.5-170.2-20.634.1000114.5
258Y87.7Confident87.7Confident60 Ų6067.2 Ų67.224%0.23537%0.366CS..EExtended strand (participates in β ladder)trans-106.9105.2-173.5-58.6-84.5000110K256 A266 F267 G270K256-Y258 PolarHBondContact O-N 3.23Å; K256-Y258 VanDerWaalsContact O-N 3.12Å; Y258-A266 CarbonylContact O-C 3.49Å; Y258-A266 WeakPolarHBondContact O-CA 3.24Å; Y258-F267 WeakPolarHBondContact CB-O 3.27Å; Y258-F267 PolarHBondContact N-O 3.39Å; Y258-F267 VanDerWaalsContact N-O 3.14Å; Y258-F267 PolarHBondContact O-N 3.26Å; Y258-G270 VanDerWaalsContact CD2-N 3.33Å; Y258-G270 VanDerWaalsContact CE2-N 3.34Å
259K89.9Confident87.4Confident102 Ų10268.6 Ų68.644%0.44337%0.372SS..EExtended strand (participates in β ladder)trans-103.7133.6-178-167.4177.4176.5-1760111G264K259-G264 VanDerWaalsContact CE-O 3.3Å; K259-G264 WeakPolarHBondContact CE-O 3.35Å
260C90.1Very high87.2Confident0 Ų065.8 Ų65.80%037%0.365CS..  trans-72.9123.7168.4-179.10000109.2E262 C263 G264 K265 F267 L273C260-E262 VanDerWaalsContact C-N 3.32Å; C260-C263 VanDerWaalsContact SG-SG 3.67Å; C260-G264 WeakPolarHBondContact O-CA 3.48Å; C260-G264 PolarHBondContact O-N 2.79Å; C260-K265 WeakPolarHBondContact CB-O 3.39Å; C260-K265 PolarHBondContact N-O 3.03Å; C260-F267 HydrophobicContact CB-CE2 4.44Å; C260-L273 HydrophobicContact CB-CD1 3.6Å
261I88Confident86.7Confident102 Ų10267.7 Ų67.752%0.52338%0.381SS..THydrogen-bonded Turntrans-69.1-35.3179.5-60.1172.2000110.4E166E166-I261 HydrophobicContact CG-CD1 4.12Å
262E86.8Confident86.6Confident122 Ų12266 Ų6657%0.5737%0.37SS*.THydrogen-bonded Turntrans-73.3-39-173.7-64171.9160.100113.4C260 H280C260-E262 VanDerWaalsContact C-N 3.32Å; E262-H280 WeakPolarHBondContact OE2-CB 3.45Å; E262-H280 IonicContact OE2-CD2 2.55Å; E262-H280 PolarHBondContact OE2-CD2 3.37Å; E262-H280 IonicContact OE2-CG 2.98Å
263C89.3Confident86.5Confident52 Ų5262.7 Ų62.735%0.35135%0.354SS..THydrogen-bonded Turntrans-124.53.1-177.673.60000115C260 K265 H276 H280C260-C263 VanDerWaalsContact SG-SG 3.67Å; C263-K265 PolarHBondContact O-N 3.32Å; C263-H276 PolarHBondContact SG-NE2 3.46Å; C263-H280 PolarHBondContact SG-NE2 3.08Å
264G87.4Confident86.2Confident35 Ų3562.8 Ų62.836%0.36135%0.352SS..  trans70.5-2.9179.200000115.6K259 C260 A266K259-G264 VanDerWaalsContact CE-O 3.3Å; K259-G264 WeakPolarHBondContact CE-O 3.35Å; C260-G264 WeakPolarHBondContact O-CA 3.48Å; C260-G264 PolarHBondContact O-N 2.79Å; G264-A266 PolarHBondContact O-N 2.55Å
265K89.7Confident86.1Confident129 Ų12962.7 Ų62.756%0.56134%0.339SS*.  trans-64.5133.6178.4-74-179.9-178.71740110.9C260 C263 F267C260-K265 WeakPolarHBondContact CB-O 3.39Å; C260-K265 PolarHBondContact N-O 3.03Å; C263-K265 PolarHBondContact O-N 3.32Å; K265-F267 HydrophobicContact CB-CE2 3.96Å; K265-F267 HydrophobicContact CB-CZ 4.11Å; K265-F267 WeakPolarHBondContact O-CE2 3.34Å
266A91.1Very high86Confident37 Ų3758 Ų5831%0.30632%0.318SS..EExtended strand (participates in β ladder)trans-107.7146.6-178.900000112.1K256 Y258 G264K256-A266 HydrophobicContact CB-CB 3.54Å; K256-A266 HydrophobicContact CD-CB 4.23Å; K256-A266 WeakPolarHBondContact CD-O 3.41Å; K256-A266 HydrophobicContact CG-CB 4.49Å; Y258-A266 CarbonylContact O-C 3.49Å; Y258-A266 WeakPolarHBondContact O-CA 3.24Å; G264-A266 PolarHBondContact O-N 2.55Å
267F87.4Confident85.6Confident42 Ų4252.9 Ų52.918%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-130.1148.2-175.8-58.6-89.8000110.8K256 Y258 C260 K265 H269 L273 H276K256-F267 CarbonylContact C-O 3.22Å; K256-F267 VanDerWaalsContact CA-O 3.26Å; K256-F267 WeakPolarHBondContact CA-O 3.26Å; Y258-F267 WeakPolarHBondContact CB-O 3.27Å; Y258-F267 PolarHBondContact N-O 3.39Å; Y258-F267 VanDerWaalsContact N-O 3.14Å; Y258-F267 PolarHBondContact O-N 3.26Å; C260-F267 HydrophobicContact CB-CE2 4.44Å; K265-F267 HydrophobicContact CB-CE2 3.96Å; K265-F267 HydrophobicContact CB-CZ 4.11Å; K265-F267 WeakPolarHBondContact O-CE2 3.34Å; F267-H269 VanDerWaalsContact C-N 3.28Å; F267-H269 PolarHBondContact O-N 3.49Å; F267-L273 HydrophobicContact CB-CB 4.41Å; F267-L273 HydrophobicContact CD2-CB 3.9Å; F267-L273 HydrophobicContact CD2-CD1 3.86Å; F267-L273 HydrophobicContact CD2-CG 4.49Å; F267-L273 HydrophobicContact CE2-CD1 3.97Å; F267-L273 HydrophobicContact CG-CB 4.31Å; F267-H276 HydrophobicContact CE1-CB 3.92Å; F267-H276 HydrophobicContact CE2-CB 3.89Å; F267-H276 AromaticContact CE2-CD2 3.28Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.38Å; F267-H276 AromaticContact CE2-CG 3.69Å; F267-H276 HydrophobicContact CZ-CB 3.4Å; F267-H276 VanDerWaalsContact CZ-CB 3.4Å; F267-H276 AromaticContact CZ-CD2 3.27Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.27Å; F267-H276 AromaticContact CZ-CG 3.22Å; F267-H276 AromaticContact CZ-ND1 3.91Å; F267-H276 AromaticContact CZ-NE2 3.92Å
268S85.5Confident85.3Confident38 Ų3852.4 Ų52.427%0.26629%0.293SS..SBendtrans-73.3-20.4175.5540000113.2
269H82Confident85.2Confident57 Ų5754 Ų5426%0.26431%0.309SS..SBendtrans-135.9140.5-176-55-41.9000111.7R247 F267 S271 S272 L273R247-H269 WeakPolarHBondContact CG-CE1 3.28Å; F267-H269 VanDerWaalsContact C-N 3.28Å; F267-H269 PolarHBondContact O-N 3.49Å; H269-S271 VanDerWaalsContact C-N 3.32Å; H269-S271 PolarHBondContact O-N 2.79Å; H269-S272 WeakPolarHBondContact O-CB 3.4Å; H269-S272 PolarHBondContact O-N 3.1Å; H269-L273 PolarHBondContact O-N 2.79Å
270G80.9Confident84.8Confident21 Ų2152.9 Ų52.922%0.21631%0.305CS..Hα-helixtrans-60.7-39.2178.200000112.9Y258 S272 L273 T274Y258-G270 VanDerWaalsContact CD2-N 3.33Å; Y258-G270 VanDerWaalsContact CE2-N 3.34Å; G270-S272 PolarHBondContact O-N 2.94Å; G270-L273 WeakPolarHBondContact O-CB 3.29Å; G270-L273 PolarHBondContact O-N 3.37Å; G270-L273 VanDerWaalsContact O-N 3.08Å; G270-T274 PolarHBondContact O-N 3.37Å; G270-T274 PolarHBondContact O-OG1 3.42Å
271S78.7Confident84.3Confident76 Ų7656.5 Ų56.553%0.53133%0.328SS..Hα-helixtrans-58.6-34.4174.257.40000112.6H269 N275H269-S271 VanDerWaalsContact C-N 3.32Å; H269-S271 PolarHBondContact O-N 2.79Å; S271-N275 WeakPolarHBondContact O-CB 3.43Å; S271-N275 PolarHBondContact O-N 3Å; S271-N275 PolarHBondContact O-ND2 2.75Å
272S83.2Confident84Confident44 Ų4454 Ų5431%0.30833%0.327SS..Hα-helixtrans-71-39.2177.5-58.10000111.2H269 G270 N275 H276H269-S272 WeakPolarHBondContact O-CB 3.4Å; H269-S272 PolarHBondContact O-N 3.1Å; G270-S272 PolarHBondContact O-N 2.94Å; S272-N275 PolarHBondContact O-N 3.1Å; S272-H276 WeakPolarHBondContact O-CB 3.5Å; S272-H276 PolarHBondContact O-N 3.06Å
273L85.8Confident83.6Confident4 Ų452.1 Ų52.12%0.02132%0.318CS..Hα-helixtrans-62.4-48.5172.5172.961.2000111.4C260 F267 H269 G270 N275 H276 Q277C260-L273 HydrophobicContact CB-CD1 3.6Å; F267-L273 HydrophobicContact CB-CB 4.41Å; F267-L273 HydrophobicContact CD2-CB 3.9Å; F267-L273 HydrophobicContact CD2-CD1 3.86Å; F267-L273 HydrophobicContact CD2-CG 4.49Å; F267-L273 HydrophobicContact CE2-CD1 3.97Å; F267-L273 HydrophobicContact CG-CB 4.31Å; H269-L273 PolarHBondContact O-N 2.79Å; G270-L273 WeakPolarHBondContact O-CB 3.29Å; G270-L273 PolarHBondContact O-N 3.37Å; G270-L273 VanDerWaalsContact O-N 3.08Å; L273-N275 VanDerWaalsContact C-N 3.33Å; L273-N275 PolarHBondContact O-N 3.04Å; L273-H276 CarbonylContact O-C 3.57Å; L273-H276 WeakPolarHBondContact O-CA 3.35Å; L273-H276 WeakPolarHBondContact O-CB 3.33Å; L273-H276 PolarHBondContact O-N 3.17Å; L273-Q277 HydrophobicContact CD1-CG 4.2Å; L273-Q277 WeakPolarHBondContact O-CG 3.27Å; L273-Q277 PolarHBondContact O-N 3.36Å
274T80.1Confident83.3Confident67 Ų6755.7 Ų55.741%0.41133%0.328SS..Hα-helixtrans-55.4-47.3176.3-62.40000111.9I163 G270 H276 Q277I163-T274 HydrophobicContact CD1-CG2 3.55Å; G270-T274 PolarHBondContact O-N 3.37Å; G270-T274 PolarHBondContact O-OG1 3.42Å; T274-H276 VanDerWaalsContact C-N 3.3Å; T274-H276 PolarHBondContact O-N 3.27Å; T274-Q277 PolarHBondContact O-N 3.42Å
275N80.9Confident82.7Confident49 Ų4955.7 Ų55.726%0.26232%0.321SS..Hα-helixtrans-63.8-37.5176-73.8-60.6000111.8S271 S272 L273 S278 R297S271-N275 WeakPolarHBondContact O-CB 3.43Å; S271-N275 PolarHBondContact O-N 3Å; S271-N275 PolarHBondContact O-ND2 2.75Å; S272-N275 PolarHBondContact O-N 3.1Å; L273-N275 VanDerWaalsContact C-N 3.33Å; L273-N275 PolarHBondContact O-N 3.04Å; N275-S278 PolarHBondContact O-N 2.6Å; N275-S278 PolarHBondContact O-OG 3.46Å; N275-R297 PolarHBondContact ND2-NH2 2.93Å; N275-R297 VanDerWaalsContact ND2-NH2 3.16Å; N275-R297 PolarHBondContact OD1-NE 2.95Å
276H85.8Confident82.3Confident23 Ų2351.6 Ų51.611%0.10630%0.302CS..Hα-helixtrans-66.6-36.3178169.857.4000112.6C263 F267 S272 L273 T274 S278 T279 H280C263-H276 PolarHBondContact SG-NE2 3.46Å; F267-H276 HydrophobicContact CE1-CB 3.92Å; F267-H276 HydrophobicContact CE2-CB 3.89Å; F267-H276 AromaticContact CE2-CD2 3.28Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.38Å; F267-H276 AromaticContact CE2-CG 3.69Å; F267-H276 HydrophobicContact CZ-CB 3.4Å; F267-H276 VanDerWaalsContact CZ-CB 3.4Å; F267-H276 AromaticContact CZ-CD2 3.27Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.27Å; F267-H276 AromaticContact CZ-CG 3.22Å; F267-H276 AromaticContact CZ-ND1 3.91Å; F267-H276 AromaticContact CZ-NE2 3.92Å; S272-H276 WeakPolarHBondContact O-CB 3.5Å; S272-H276 PolarHBondContact O-N 3.06Å; L273-H276 CarbonylContact O-C 3.57Å; L273-H276 WeakPolarHBondContact O-CA 3.35Å; L273-H276 WeakPolarHBondContact O-CB 3.33Å; L273-H276 PolarHBondContact O-N 3.17Å; T274-H276 VanDerWaalsContact C-N 3.3Å; T274-H276 PolarHBondContact O-N 3.27Å; H276-S278 PolarHBondContact O-N 2.81Å; H276-T279 PolarHBondContact ND1-OG1 3.49Å; H276-T279 VanDerWaalsContact O-CB 3.29Å; H276-T279 WeakPolarHBondContact O-CB 3.28Å; H276-T279 WeakPolarHBondContact O-CG2 3.43Å; H276-T279 PolarHBondContact O-N 2.73Å; H276-T279 PolarHBondContact O-OG1 3.03Å; H276-H280 AromaticContact CE1-NE2 3.52Å; H276-H280 AromaticContact NE2-NE2 3.28Å; H276-H280 PolarHBondContact NE2-NE2 2.93Å
277Q80.4Confident81.8Confident22 Ų2253.8 Ų53.810%0.10331%0.306CS..Hα-helixtrans-60.8-29.8179.2-74170.1-6100112.9K164 L273 T274 T279 H280 T281K164-Q277 PolarHBondContact O-NE2 3.32Å; L273-Q277 HydrophobicContact CD1-CG 4.2Å; L273-Q277 WeakPolarHBondContact O-CG 3.27Å; L273-Q277 PolarHBondContact O-N 3.36Å; T274-Q277 PolarHBondContact O-N 3.42Å; Q277-T279 PolarHBondContact O-N 3.22Å; Q277-H280 PolarHBondContact O-N 2.87Å; Q277-T281 PolarHBondContact O-N 2.91Å
278S80.9Confident81.6Confident19 Ų1951.8 Ų51.813%0.13330%0.297CS..Hα-helixtrans-58.7-20.1171.473.10000113.9N275 H276 H280 G282N275-S278 PolarHBondContact O-N 2.6Å; N275-S278 PolarHBondContact O-OG 3.46Å; H276-S278 PolarHBondContact O-N 2.81Å; S278-H280 VanDerWaalsContact C-N 3.34Å; S278-G282 WeakPolarHBondContact O-CA 2.99Å; S278-G282 PolarHBondContact O-N 3.27Å
279T84.8Confident81.4Confident92 Ų9256.7 Ų56.756%0.56432%0.318SS*.Hα-helixtrans-77.9-19.7176.6700000113.4H276 Q277H276-T279 PolarHBondContact ND1-OG1 3.49Å; H276-T279 VanDerWaalsContact O-CB 3.29Å; H276-T279 WeakPolarHBondContact O-CB 3.28Å; H276-T279 WeakPolarHBondContact O-CG2 3.43Å; H276-T279 PolarHBondContact O-N 2.73Å; H276-T279 PolarHBondContact O-OG1 3.03Å; Q277-T279 PolarHBondContact O-N 3.22Å
280H81.9Confident81.2Confident79 Ų7958.1 Ų58.137%0.36633%0.328SS..Hα-helixtrans-88-43.5175.6-68.3-58.1000111.7E262 C263 H276 Q277 S278 G282E262-H280 WeakPolarHBondContact OE2-CB 3.45Å; E262-H280 IonicContact OE2-CD2 2.55Å; E262-H280 PolarHBondContact OE2-CD2 3.37Å; E262-H280 IonicContact OE2-CG 2.98Å; C263-H280 PolarHBondContact SG-NE2 3.08Å; H276-H280 AromaticContact CE1-NE2 3.52Å; H276-H280 AromaticContact NE2-NE2 3.28Å; H276-H280 PolarHBondContact NE2-NE2 2.93Å; Q277-H280 PolarHBondContact O-N 2.87Å; S278-H280 VanDerWaalsContact C-N 3.34Å; H280-G282 VanDerWaalsContact C-N 3.3Å
281T80.4Confident81.4Confident77 Ų7759.7 Ų59.747%0.47234%0.335SS..Hα-helixtrans-75.6-21.6178.561.60000112.7Q277 E283Q277-T281 PolarHBondContact O-N 2.91Å; T281-E283 PolarHBondContact O-N 3.22Å; T281-E283 WeakPolarHBondContact OG1-CB 3.45Å; T281-E283 WeakPolarHBondContact OG1-CG 3.46Å; T281-E283 PolarHBondContact OG1-N 3.49Å
282G80.8Confident81.4Confident49 Ų4958 Ų5851%0.50533%0.329SS..  trans69.27.1-172.700000113.4S278 H280 K284S278-G282 WeakPolarHBondContact O-CA 2.99Å; S278-G282 PolarHBondContact O-N 3.27Å; H280-G282 VanDerWaalsContact C-N 3.3Å; G282-K284 PolarHBondContact O-N 2.97Å
283E79.6Confident81.4Confident82 Ų8261.8 Ų61.838%0.38334%0.34SS..  trans-58.4127.1-179.6-77.5178-176.400110.8S161 T281 P285 S296S161-E283 WeakPolarHBondContact CB-OE2 3.29Å; S161-E283 PolarHBondContact OG-OE2 2.89Å; S161-E283 VanDerWaalsContact OG-OE2 3.06Å; T281-E283 PolarHBondContact O-N 3.22Å; T281-E283 WeakPolarHBondContact OG1-CB 3.45Å; T281-E283 WeakPolarHBondContact OG1-CG 3.46Å; T281-E283 PolarHBondContact OG1-N 3.49Å; E283-P285 HydrophobicContact CB-CG 4.48Å; E283-S296 WeakPolarHBondContact O-CB 3.46Å
284K81.6Confident81.4Confident128 Ų12863.8 Ų63.856%0.55735%0.354SS*.  trans-127.473.9174.7-71169.8173.4-173.60109.4G282 Y286 S294 F295G282-K284 PolarHBondContact O-N 2.97Å; K284-Y286 PolarHBondContact O-N 3.21Å; K284-Y286 VanDerWaalsContact O-N 3.11Å; K284-S294 VanDerWaalsContact CB-CB 3.5Å; K284-S294 WeakPolarHBondContact CD-O 3.4Å; K284-S294 WeakPolarHBondContact O-CB 3.18Å; K284-F295 CarbonylContact C-O 3.53Å; K284-F295 VanDerWaalsContact CA-O 3.25Å; K284-F295 WeakPolarHBondContact CA-O 3.48Å
285P76.2Confident81.4Confident34 Ų3462.5 Ų62.522%0.22134%0.343CS..  trans-66.5-18.7-170.1-20.434.1000113.7K159 E283K159-P285 HydrophobicContact CB-CB 4.03Å; K159-P285 HydrophobicContact CD-CB 3.92Å; K159-P285 VanDerWaalsContact CD-O 3.25Å; K159-P285 WeakPolarHBondContact CD-O 3.36Å; K159-P285 PolarHBondContact NZ-O 3.45Å; E283-P285 HydrophobicContact CB-CG 4.48Å
286Y81.1Confident81.4Confident44 Ų4461.9 Ų61.917%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-103.6106-168.8-51.7-63.6000110.9N156 K284 S294 F295 S296 V298N156-Y286 HydrophobicContact CB-CD1 3.7Å; N156-Y286 HydrophobicContact CB-CE1 4.13Å; N156-Y286 WeakPolarHBondContact O-CE1 3.26Å; N156-Y286 WeakPolarHBondContact OD1-CA 3.48Å; K284-Y286 PolarHBondContact O-N 3.21Å; K284-Y286 VanDerWaalsContact O-N 3.11Å; Y286-S294 CarbonylContact O-C 3.58Å; Y286-S294 VanDerWaalsContact O-CA 3.32Å; Y286-S294 WeakPolarHBondContact O-CA 3.45Å; Y286-F295 WeakPolarHBondContact CB-O 3.48Å; Y286-F295 WeakPolarHBondContact CD2-O 3.23Å; Y286-F295 PolarHBondContact N-O 3.33Å; Y286-F295 VanDerWaalsContact N-O 3.16Å; Y286-F295 PolarHBondContact O-N 3.11Å; Y286-S296 WeakPolarHBondContact CE2-O 3.4Å; Y286-V298 HydrophobicContact CD1-CG2 3.56Å; Y286-V298 HydrophobicContact CD2-CG2 4.15Å; Y286-V298 HydrophobicContact CE1-CG2 3.23Å; Y286-V298 HydrophobicContact CE2-CG2 3.87Å; Y286-V298 HydrophobicContact CG-CG2 3.98Å
287E81.1Confident80.9Confident82 Ų8265.7 Ų65.738%0.38336%0.356SS..EExtended strand (participates in β ladder)trans-101.7139.6-176.1-168177.2159.300112.2
288C82.4Confident80.7Confident0 Ų066.3 Ų66.30%036%0.361CS..  trans-82.9111.6169.7-1780000109.7N290 C291 G292 K293 F295 L301 H304 H308C288-N290 PolarHBondContact O-N 3.42Å; C288-C291 PolarHBondContact O-N 3.01Å; C288-C291 VanDerWaalsContact SG-SG 3.69Å; C288-G292 VanDerWaalsContact O-CA 3.28Å; C288-G292 WeakPolarHBondContact O-CA 3.35Å; C288-G292 PolarHBondContact O-N 3.28Å; C288-K293 HydrophobicContact CB-CB 4.47Å; C288-K293 WeakPolarHBondContact CB-O 2.95Å; C288-K293 PolarHBondContact N-O 2.9Å; C288-F295 HydrophobicContact CB-CE2 4.19Å; C288-L301 HydrophobicContact CB-CD1 3.69Å; C288-H304 VanDerWaalsContact SG-CD2 3.56Å; C288-H304 PolarHBondContact SG-NE2 2.95Å; C288-H304 VanDerWaalsContact SG-NE2 3.42Å; C288-H308 PolarHBondContact SG-NE2 3.42Å; C288-H308 VanDerWaalsContact SG-NE2 3.43Å
289M80.4Confident80.5Confident141 Ų14168.5 Ų68.570%0.69538%0.377SS*.THydrogen-bonded Turntrans-63.6-25.6179.9-60.4-56.9-63.600113.1
290N78.9Confident80.4Confident88 Ų8867.1 Ų67.147%0.47137%0.365SS..THydrogen-bonded Turntrans-74.7-25-179.3-61.963.7000113.5C288C288-N290 PolarHBondContact O-N 3.42Å
291C83.7Confident80.3Confident54 Ų5463.5 Ų63.537%0.36535%0.349SS..THydrogen-bonded Turntrans-1449.2-176.567.50000115.4C288 K293 H304 H308C288-C291 PolarHBondContact O-N 3.01Å; C288-C291 VanDerWaalsContact SG-SG 3.69Å; C291-K293 PolarHBondContact O-N 3.28Å; C291-K293 VanDerWaalsContact O-N 3.07Å; C291-H304 PolarHBondContact SG-NE2 3.43Å; C291-H308 PolarHBondContact SG-NE2 3.37Å; C291-H308 VanDerWaalsContact SG-NE2 3.38Å
292G80.6Confident80.2Confident40 Ų4061.8 Ų61.841%0.41234%0.337SS..  trans66.73.4-178.900000115C288 S294C288-G292 VanDerWaalsContact O-CA 3.28Å; C288-G292 WeakPolarHBondContact O-CA 3.35Å; C288-G292 PolarHBondContact O-N 3.28Å; G292-S294 PolarHBondContact O-N 2.98Å
293K82.3Confident80.1Confident124 Ų12463 Ų6354%0.53933%0.329SS..  trans-72.7125.1-177.6-73.7-178.8-177.9173.10110.9C288 C291 F295C288-K293 HydrophobicContact CB-CB 4.47Å; C288-K293 WeakPolarHBondContact CB-O 2.95Å; C288-K293 PolarHBondContact N-O 2.9Å; C291-K293 PolarHBondContact O-N 3.28Å; C291-K293 VanDerWaalsContact O-N 3.07Å; K293-F295 HydrophobicContact CB-CE2 3.96Å; K293-F295 HydrophobicContact CB-CZ 4.1Å; K293-F295 WeakPolarHBondContact O-CD2 3.42Å; K293-F295 WeakPolarHBondContact O-CE2 3.48Å
294S85.2Confident80.2Confident46 Ų4660 Ų6032%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-97.2145.9178.4-31.90000112.9K284 Y286 G292K284-S294 VanDerWaalsContact CB-CB 3.5Å; K284-S294 WeakPolarHBondContact CD-O 3.4Å; K284-S294 WeakPolarHBondContact O-CB 3.18Å; Y286-S294 CarbonylContact O-C 3.58Å; Y286-S294 VanDerWaalsContact O-CA 3.32Å; Y286-S294 WeakPolarHBondContact O-CA 3.45Å; G292-S294 PolarHBondContact O-N 2.98Å
295F81.5Confident80.1Confident39 Ų3954.8 Ų54.817%0.17129%0.293CS..EExtended strand (participates in β ladder)trans-128.9147.7-177.3-60.1-87.9000110.6K284 Y286 C288 K293 R297 L300 L301 H304K284-F295 CarbonylContact C-O 3.53Å; K284-F295 VanDerWaalsContact CA-O 3.25Å; K284-F295 WeakPolarHBondContact CA-O 3.48Å; Y286-F295 WeakPolarHBondContact CB-O 3.48Å; Y286-F295 WeakPolarHBondContact CD2-O 3.23Å; Y286-F295 PolarHBondContact N-O 3.33Å; Y286-F295 VanDerWaalsContact N-O 3.16Å; Y286-F295 PolarHBondContact O-N 3.11Å; C288-F295 HydrophobicContact CB-CE2 4.19Å; K293-F295 HydrophobicContact CB-CE2 3.96Å; K293-F295 HydrophobicContact CB-CZ 4.1Å; K293-F295 WeakPolarHBondContact O-CD2 3.42Å; K293-F295 WeakPolarHBondContact O-CE2 3.48Å; F295-R297 VanDerWaalsContact C-N 3.29Å; F295-L300 HydrophobicContact CB-CB 4.18Å; F295-L300 HydrophobicContact CD1-CB 3.86Å; F295-L300 HydrophobicContact CG-CB 4.29Å; F295-L301 HydrophobicContact CB-CB 4.36Å; F295-L301 HydrophobicContact CD2-CB 3.96Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 4.5Å; F295-L301 HydrophobicContact CE2-CD1 3.99Å; F295-L301 HydrophobicContact CG-CB 4.31Å; F295-H304 HydrophobicContact CE1-CB 3.88Å; F295-H304 HydrophobicContact CE2-CB 3.89Å; F295-H304 AromaticContact CE2-CD2 3.43Å; F295-H304 VanDerWaalsContact CE2-CD2 3.43Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.32Å; F295-H304 AromaticContact CE2-CG 3.66Å; F295-H304 HydrophobicContact CZ-CB 3.39Å; F295-H304 AromaticContact CZ-CD2 3.44Å; F295-H304 VanDerWaalsContact CZ-CD2 3.44Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.44Å; F295-H304 AromaticContact CZ-CG 3.19Å; F295-H304 AromaticContact CZ-ND1 3.71Å
296S80.3Confident80.3Confident37 Ų3756.1 Ų56.126%0.25929%0.294SS..SBendtrans-79.7-11.6176.657.40000113.4E283 Y286E283-S296 WeakPolarHBondContact O-CB 3.46Å; Y286-S296 WeakPolarHBondContact CE2-O 3.4Å
297R75.4Confident80.2Confident102 Ų10257 Ų5739%0.38530%0.301SS..SBendtrans-140139.2-178.5-53.1176.578.2-1760111N275 F295 S299 L300 L301N275-R297 PolarHBondContact ND2-NH2 2.93Å; N275-R297 VanDerWaalsContact ND2-NH2 3.16Å; N275-R297 PolarHBondContact OD1-NE 2.95Å; F295-R297 VanDerWaalsContact C-N 3.29Å; R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.46Å; R297-L300 HydrophobicContact CB-CB 4.46Å; R297-L300 HydrophobicContact CB-CD1 4.04Å; R297-L300 HydrophobicContact CB-CG 4.05Å; R297-L300 HydrophobicContact CG-CD1 4.19Å; R297-L300 WeakPolarHBondContact O-CB 3.16Å; R297-L300 PolarHBondContact O-N 3.34Å; R297-L300 VanDerWaalsContact O-N 3.08Å; R297-L301 PolarHBondContact O-N 3.33Å
298V76.1Confident79.9Confident35 Ų3556.7 Ų56.721%0.21230%0.299CS..Hα-helixtrans-56.7-40.5174.8-178.70000111.6L153 Y286 L300 L301 I302L153-V298 HydrophobicContact CD2-CG1 3.37Å; Y286-V298 HydrophobicContact CD1-CG2 3.56Å; Y286-V298 HydrophobicContact CD2-CG2 4.15Å; Y286-V298 HydrophobicContact CE1-CG2 3.23Å; Y286-V298 HydrophobicContact CE2-CG2 3.87Å; Y286-V298 HydrophobicContact CG-CG2 3.98Å; V298-L300 PolarHBondContact O-N 3.06Å; V298-L301 WeakPolarHBondContact O-CB 3.27Å; V298-L301 PolarHBondContact O-N 2.97Å; V298-L301 VanDerWaalsContact O-N 3.11Å; V298-I302 HydrophobicContact CG1-CD1 3.97Å; V298-I302 HydrophobicContact CG1-CG1 4.18Å; V298-I302 WeakPolarHBondContact O-CG1 3.28Å; V298-I302 PolarHBondContact O-N 3.03Å
299S77Confident79.5Confident65 Ų6560.1 Ų60.146%0.45532%0.32SS..Hα-helixtrans-61.2-33.6179.4560000113R297 Q303R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.46Å; S299-Q303 WeakPolarHBondContact O-CB 3.15Å; S299-Q303 PolarHBondContact O-N 2.96Å
300L81.3Confident79.2Confident63 Ų6356.8 Ų56.833%0.3330%0.303SS..Hα-helixtrans-72.3-39.3175.5-64175.1000111.1F295 R297 V298 Q303 H304F295-L300 HydrophobicContact CB-CB 4.18Å; F295-L300 HydrophobicContact CD1-CB 3.86Å; F295-L300 HydrophobicContact CG-CB 4.29Å; R297-L300 HydrophobicContact CB-CB 4.46Å; R297-L300 HydrophobicContact CB-CD1 4.04Å; R297-L300 HydrophobicContact CB-CG 4.05Å; R297-L300 HydrophobicContact CG-CD1 4.19Å; R297-L300 WeakPolarHBondContact O-CB 3.16Å; R297-L300 PolarHBondContact O-N 3.34Å; R297-L300 VanDerWaalsContact O-N 3.08Å; V298-L300 PolarHBondContact O-N 3.06Å; L300-Q303 PolarHBondContact O-N 3.04Å; L300-H304 VanDerWaalsContact O-CB 3.3Å; L300-H304 WeakPolarHBondContact O-CB 3.46Å; L300-H304 PolarHBondContact O-N 3.33Å
301L81.1Confident78.8Confident3 Ų355.8 Ų55.82%0.01630%0.295CS..Hα-helixtrans-60.9-49.6171.6174.361.2000111I152 C288 F295 R297 V298 Q303 H304 L305I152-L301 HydrophobicContact CG2-CD2 4.05Å; C288-L301 HydrophobicContact CB-CD1 3.69Å; F295-L301 HydrophobicContact CB-CB 4.36Å; F295-L301 HydrophobicContact CD2-CB 3.96Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 4.5Å; F295-L301 HydrophobicContact CE2-CD1 3.99Å; F295-L301 HydrophobicContact CG-CB 4.31Å; R297-L301 PolarHBondContact O-N 3.33Å; V298-L301 WeakPolarHBondContact O-CB 3.27Å; V298-L301 PolarHBondContact O-N 2.97Å; V298-L301 VanDerWaalsContact O-N 3.11Å; L301-Q303 VanDerWaalsContact C-N 3.27Å; L301-Q303 PolarHBondContact O-N 2.91Å; L301-H304 WeakPolarHBondContact O-CB 3.44Å; L301-H304 PolarHBondContact O-N 3.38Å; L301-H304 VanDerWaalsContact O-N 3.08Å; L301-L305 HydrophobicContact CD1-CD1 4.44Å; L301-L305 HydrophobicContact CD1-CD2 4.38Å; L301-L305 HydrophobicContact CD1-CG 4.13Å; L301-L305 HydrophobicContact CG-CD1 4.29Å; L301-L305 HydrophobicContact CG-CG 4.42Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.31Å
302I78.6Confident78.5Confident42 Ų4258.8 Ų58.822%0.21530%0.302CS..Hα-helixtrans-57.7-42.5177.1-64.8170.1000111L153 V298L153-I302 HydrophobicContact CD1-CD1 4.43Å; L153-I302 HydrophobicContact CD2-CD1 3.78Å; L153-I302 HydrophobicContact CD2-CG1 4Å; V298-I302 HydrophobicContact CG1-CD1 3.97Å; V298-I302 HydrophobicContact CG1-CG1 4.18Å; V298-I302 WeakPolarHBondContact O-CG1 3.28Å; V298-I302 PolarHBondContact O-N 3.03Å
303Q78.3Confident78.4Confident73 Ų7363.3 Ų63.334%0.34131%0.307SS..Hα-helixtrans-63.1-44.6176.6-179.8176.814.700111.1S299 L300 L301 R306 H325S299-Q303 WeakPolarHBondContact O-CB 3.15Å; S299-Q303 PolarHBondContact O-N 2.96Å; L300-Q303 PolarHBondContact O-N 3.04Å; L301-Q303 VanDerWaalsContact C-N 3.27Å; L301-Q303 PolarHBondContact O-N 2.91Å; Q303-R306 VanDerWaalsContact O-CB 3.31Å; Q303-R306 WeakPolarHBondContact O-CB 3.34Å; Q303-R306 WeakPolarHBondContact O-CG 3.49Å; Q303-R306 PolarHBondContact O-N 3.44Å; Q303-H325 WeakPolarHBondContact CG-NE2 3.46Å; Q303-H325 PolarHBondContact NE2-CD2 3.25Å; Q303-H325 VanDerWaalsContact NE2-CD2 3.33Å; Q303-H325 PolarHBondContact NE2-NE2 3.33Å
304H82Confident78.5Confident20 Ų2060.8 Ų60.89%0.09330%0.295CS..Hα-helixtrans-63.6-40.3178.9169.768.7000112.9C288 C291 F295 L300 L301 R306 I307 H308C288-H304 VanDerWaalsContact SG-CD2 3.56Å; C288-H304 PolarHBondContact SG-NE2 2.95Å; C288-H304 VanDerWaalsContact SG-NE2 3.42Å; C291-H304 PolarHBondContact SG-NE2 3.43Å; F295-H304 HydrophobicContact CE1-CB 3.88Å; F295-H304 HydrophobicContact CE2-CB 3.89Å; F295-H304 AromaticContact CE2-CD2 3.43Å; F295-H304 VanDerWaalsContact CE2-CD2 3.43Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.32Å; F295-H304 AromaticContact CE2-CG 3.66Å; F295-H304 HydrophobicContact CZ-CB 3.39Å; F295-H304 AromaticContact CZ-CD2 3.44Å; F295-H304 VanDerWaalsContact CZ-CD2 3.44Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.44Å; F295-H304 AromaticContact CZ-CG 3.19Å; F295-H304 AromaticContact CZ-ND1 3.71Å; L300-H304 VanDerWaalsContact O-CB 3.3Å; L300-H304 WeakPolarHBondContact O-CB 3.46Å; L300-H304 PolarHBondContact O-N 3.33Å; L301-H304 WeakPolarHBondContact O-CB 3.44Å; L301-H304 PolarHBondContact O-N 3.38Å; L301-H304 VanDerWaalsContact O-N 3.08Å; H304-R306 PolarHBondContact O-N 3.02Å; H304-I307 VanDerWaalsContact O-CB 3.26Å; H304-I307 WeakPolarHBondContact O-CB 3.41Å; H304-I307 WeakPolarHBondContact O-CG1 3.2Å; H304-I307 PolarHBondContact O-N 3.35Å; H304-H308 AromaticContact CE1-NE2 3.71Å; H304-H308 AromaticContact NE2-CD2 3.83Å; H304-H308 AromaticContact NE2-NE2 3.23Å; H304-H308 PolarHBondContact NE2-NE2 2.86Å
305L78.8Confident78.6Confident19 Ų1964.5 Ų64.510%0.09931%0.307CS..Hα-helixtrans-56.7-25.9177.6-71.9173.7000112.6I152 L301 I307 H308 T309I152-L305 HydrophobicContact CD1-CD1 4.17Å; I152-L305 HydrophobicContact CD1-CD2 4.26Å; I152-L305 HydrophobicContact CG2-CD1 4.22Å; L301-L305 HydrophobicContact CD1-CD1 4.44Å; L301-L305 HydrophobicContact CD1-CD2 4.38Å; L301-L305 HydrophobicContact CD1-CG 4.13Å; L301-L305 HydrophobicContact CG-CD1 4.29Å; L301-L305 HydrophobicContact CG-CG 4.42Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.31Å; L305-I307 PolarHBondContact O-N 2.96Å; L305-H308 PolarHBondContact O-N 3.33Å; L305-H308 VanDerWaalsContact O-N 3.1Å; L305-T309 PolarHBondContact O-N 3.49Å; L305-T309 PolarHBondContact O-OG1 3Å
306R79.9Confident79Confident61 Ų6162.6 Ų62.623%0.2330%0.298CS..Hα-helixtrans-61.6-27.3175.6-58.9178.9-175.1176-0.1113.1Q303 H304 T309 Q310 I324Q303-R306 VanDerWaalsContact O-CB 3.31Å; Q303-R306 WeakPolarHBondContact O-CB 3.34Å; Q303-R306 WeakPolarHBondContact O-CG 3.49Å; Q303-R306 PolarHBondContact O-N 3.44Å; H304-R306 PolarHBondContact O-N 3.02Å; R306-T309 VanDerWaalsContact CA-OG1 3.29Å; R306-T309 WeakPolarHBondContact CA-OG1 3.46Å; R306-T309 PolarHBondContact O-OG1 3.39Å; R306-Q310 PolarHBondContact O-N 3.29Å; R306-Q310 VanDerWaalsContact O-N 3.12Å; R306-I324 HydrophobicContact CB-CG2 3.62Å
307I79.2Confident79.4Confident64 Ų6471.2 Ų71.233%0.32833%0.325SS..Hα-helixtrans-66.9-41.6176.8-57172.2000110.1H304 L305 Q310 I324H304-I307 VanDerWaalsContact O-CB 3.26Å; H304-I307 WeakPolarHBondContact O-CB 3.41Å; H304-I307 WeakPolarHBondContact O-CG1 3.2Å; H304-I307 PolarHBondContact O-N 3.35Å; L305-I307 PolarHBondContact O-N 2.96Å; I307-Q310 PolarHBondContact O-N 3.18Å; I307-Q310 PolarHBondContact O-NE2 2.69Å; I307-I324 HydrophobicContact CG1-CG2 4.48Å
308H75.6Confident79.8Confident74 Ų7471.9 Ų71.934%0.34334%0.335SS..Hα-helixtrans-68.6-37.8178-67.5-60000112.4C288 C291 H304 L305 Q310C288-H308 PolarHBondContact SG-NE2 3.42Å; C288-H308 VanDerWaalsContact SG-NE2 3.43Å; C291-H308 PolarHBondContact SG-NE2 3.37Å; C291-H308 VanDerWaalsContact SG-NE2 3.38Å; H304-H308 AromaticContact CE1-NE2 3.71Å; H304-H308 AromaticContact NE2-CD2 3.83Å; H304-H308 AromaticContact NE2-NE2 3.23Å; H304-H308 PolarHBondContact NE2-NE2 2.86Å; L305-H308 PolarHBondContact O-N 3.33Å; L305-H308 VanDerWaalsContact O-N 3.1Å; H308-Q310 PolarHBondContact O-N 3.24Å
309T74.4Confident80.4Confident72 Ų7272.8 Ų72.844%0.44234%0.342SS..Hα-helixtrans-75.2-12.7177.557.80000113.4L305 R306 E311L305-T309 PolarHBondContact O-N 3.49Å; L305-T309 PolarHBondContact O-OG1 3Å; R306-T309 VanDerWaalsContact CA-OG1 3.29Å; R306-T309 WeakPolarHBondContact CA-OG1 3.46Å; R306-T309 PolarHBondContact O-OG1 3.39Å; T309-E311 PolarHBondContact O-N 2.94Å
310Q73.3Confident80.8Confident71 Ų7171.6 Ų71.633%0.33234%0.34SS..THydrogen-bonded Turntrans50.621.8-172.4-66.6-68.6-14.400114.5R306 I307 H308 K312 V400R306-Q310 PolarHBondContact O-N 3.29Å; R306-Q310 VanDerWaalsContact O-N 3.12Å; I307-Q310 PolarHBondContact O-N 3.18Å; I307-Q310 PolarHBondContact O-NE2 2.69Å; H308-Q310 PolarHBondContact O-N 3.24Å; Q310-K312 PolarHBondContact O-N 2.94Å; Q310-V400 VanDerWaalsContact NE2-CG1 3.31Å
311E71Confident80.9Confident67 Ų6774.7 Ų74.731%0.31335%0.351SS..  trans-6995178.4-76.1-179.4-176.600110.4T309 R313T309-E311 PolarHBondContact O-N 2.94Å; E311-R313 VanDerWaalsContact C-N 3.32Å; E311-R313 HydrophobicContact CB-CG 4.26Å; E311-R313 PolarHBondContact O-N 2.91Å; E311-R313 IonicContact OE1-NH2 3.9Å; E311-R313 IonicContact OE2-CZ 3.15Å; E311-R313 IonicContact OE2-NE 2.86Å; E311-R313 PolarHBondContact OE2-NE 3.41Å; E311-R313 IonicContact OE2-NH2 2.65Å; E311-R313 PolarHBondContact OE2-NH2 3.15Å
312K76.3Confident81.2Confident117 Ų11776.2 Ų76.251%0.50937%0.365SS..  trans-83.576.1176.7-67.4171.6-178.5175.60110.4Q310 Y314 A322 F323 I324Q310-K312 PolarHBondContact O-N 2.94Å; K312-Y314 PolarHBondContact O-N 3.18Å; K312-A322 HydrophobicContact CB-CB 3.53Å; K312-A322 HydrophobicContact CD-CB 4.18Å; K312-A322 HydrophobicContact CG-CB 4.4Å; K312-F323 CarbonylContact C-O 3.31Å; K312-F323 WeakPolarHBondContact CA-O 3.49Å; K312-I324 HydrophobicContact CG-CG1 4.03Å
313R79.5Confident81.4Confident135 Ų13576.5 Ų76.551%0.50936%0.364SS..  trans-72.2-10.6-175.9-59.1-177-178.1-144.9-1.6114.8E311 F323E311-R313 VanDerWaalsContact C-N 3.32Å; E311-R313 HydrophobicContact CB-CG 4.26Å; E311-R313 PolarHBondContact O-N 2.91Å; E311-R313 IonicContact OE1-NH2 3.9Å; E311-R313 IonicContact OE2-CZ 3.15Å; E311-R313 IonicContact OE2-NE 2.86Å; E311-R313 PolarHBondContact OE2-NE 3.41Å; E311-R313 IonicContact OE2-NH2 2.65Å; E311-R313 PolarHBondContact OE2-NH2 3.15Å; R313-F323 PolarHBondContact N-O 3Å
314Y84.2Confident81.5Confident72 Ų7274.5 Ų74.528%0.28236%0.356SS..EExtended strand (participates in β ladder)trans-116.995.6-171.9-59.4-77.7000111.1K312 A322 F323 I324 H325K312-Y314 PolarHBondContact O-N 3.18Å; Y314-A322 CarbonylContact O-C 3.58Å; Y314-A322 WeakPolarHBondContact O-CA 3.4Å; Y314-F323 WeakPolarHBondContact CB-O 3.39Å; Y314-F323 WeakPolarHBondContact CD2-O 3.35Å; Y314-F323 PolarHBondContact N-O 3.42Å; Y314-F323 PolarHBondContact O-N 2.94Å; Y314-I324 WeakPolarHBondContact CD2-O 3.35Å; Y314-I324 WeakPolarHBondContact CE2-O 3.44Å; Y314-H325 VanDerWaalsContact CD2-C 3.48Å
315E87.8Confident81.4Confident123 Ų12375.6 Ų75.658%0.57536%0.361SS*.EExtended strand (participates in β ladder)trans-93.4138.3-179.3-165.5-177162.700113.1R317E315-R317 PolarHBondContact O-N 3.43Å
316C89.3Confident81.6Confident0 Ų077.3 Ų77.30%037%0.374CS..  trans-81.1113.2170.9-172.50000111I318 C319 G320 K321 F323 L329 H332 H336C316-I318 PolarHBondContact O-N 2.75Å; C316-I318 VanDerWaalsContact O-N 3.09Å; C316-C319 PolarHBondContact O-N 3.1Å; C316-G320 VanDerWaalsContact O-CA 3.3Å; C316-G320 WeakPolarHBondContact O-CA 3.35Å; C316-G320 PolarHBondContact O-N 3.07Å; C316-K321 WeakPolarHBondContact CB-O 3.42Å; C316-K321 PolarHBondContact N-O 3.28Å; C316-F323 HydrophobicContact CB-CE2 4.49Å; C316-L329 HydrophobicContact CB-CD1 3.63Å; C316-H332 VanDerWaalsContact SG-CD2 3.58Å; C316-H336 PolarHBondContact SG-NE2 2.91Å
317R87.7Confident81.8Confident217 Ų21777.1 Ų77.182%0.81938%0.383SS*.THydrogen-bonded Turntrans-61.8-17.5177.8-62.8-173.6179.2-167-4.1115.2E315E315-R317 PolarHBondContact O-N 3.43Å
318I85.4Confident82Confident116 Ų11676.3 Ų76.360%0.59538%0.383SS*.THydrogen-bonded Turntrans-85.7-36.4-177.8-60.8172.8000111.1C316 H336C316-I318 PolarHBondContact O-N 2.75Å; C316-I318 VanDerWaalsContact O-N 3.09Å; I318-H336 HydrophobicContact CD1-CB 3.68Å; I318-H336 HydrophobicContact CG2-CB 4.33Å
319C87.5Confident82.6Confident54 Ų5473.8 Ų73.837%0.36537%0.371SS..THydrogen-bonded Turntrans-134.86.4-172.470.70000114.9C316 K321 H332 H336C316-C319 PolarHBondContact O-N 3.1Å; C319-K321 PolarHBondContact O-N 3.44Å; C319-K321 VanDerWaalsContact O-N 3.11Å; C319-H332 PolarHBondContact SG-NE2 3.19Å; C319-H336 PolarHBondContact SG-NE2 2.89Å; C319-H336 VanDerWaalsContact SG-NE2 3.41Å
320G84.9Confident83.1Confident40 Ų4074.4 Ų74.441%0.41237%0.371SS..  trans700.3179.300000115.5C316 A322C316-G320 VanDerWaalsContact O-CA 3.3Å; C316-G320 WeakPolarHBondContact O-CA 3.35Å; C316-G320 PolarHBondContact O-N 3.07Å; G320-A322 PolarHBondContact O-N 3.42Å
321K84.5Confident83.5Confident128 Ų12875.1 Ų75.156%0.55737%0.374SS*.  trans-69.2126.6-179.4-72.4-174.8179.3-177.30111.2C316 C319 F323C316-K321 WeakPolarHBondContact CB-O 3.42Å; C316-K321 PolarHBondContact N-O 3.28Å; C319-K321 PolarHBondContact O-N 3.44Å; C319-K321 VanDerWaalsContact O-N 3.11Å; K321-F323 HydrophobicContact CB-CE2 3.95Å; K321-F323 HydrophobicContact CB-CZ 4.12Å; K321-F323 WeakPolarHBondContact O-CD2 3.01Å; K321-F323 VanDerWaalsContact O-CE2 3.32Å; K321-F323 WeakPolarHBondContact O-CE2 3.46Å
322A86.5Confident84.2Confident36 Ų3673.4 Ų73.430%0.29837%0.366SS..EExtended strand (participates in β ladder)trans-103.3142.2-179.300000112.7K312 Y314 G320K312-A322 HydrophobicContact CB-CB 3.53Å; K312-A322 HydrophobicContact CD-CB 4.18Å; K312-A322 HydrophobicContact CG-CB 4.4Å; Y314-A322 CarbonylContact O-C 3.58Å; Y314-A322 WeakPolarHBondContact O-CA 3.4Å; G320-A322 PolarHBondContact O-N 3.42Å
323F82.9Confident84.6Confident47 Ų4771.3 Ų71.321%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-127.2149.9-175.1-59.3-90.9000111.1K312 R313 Y314 C316 K321 L329 H332K312-F323 CarbonylContact C-O 3.31Å; K312-F323 WeakPolarHBondContact CA-O 3.49Å; R313-F323 PolarHBondContact N-O 3Å; Y314-F323 WeakPolarHBondContact CB-O 3.39Å; Y314-F323 WeakPolarHBondContact CD2-O 3.35Å; Y314-F323 PolarHBondContact N-O 3.42Å; Y314-F323 PolarHBondContact O-N 2.94Å; C316-F323 HydrophobicContact CB-CE2 4.49Å; K321-F323 HydrophobicContact CB-CE2 3.95Å; K321-F323 HydrophobicContact CB-CZ 4.12Å; K321-F323 WeakPolarHBondContact O-CD2 3.01Å; K321-F323 VanDerWaalsContact O-CE2 3.32Å; K321-F323 WeakPolarHBondContact O-CE2 3.46Å; F323-L329 HydrophobicContact CB-CB 4.41Å; F323-L329 HydrophobicContact CD2-CB 3.91Å; F323-L329 HydrophobicContact CD2-CD1 3.89Å; F323-L329 HydrophobicContact CE2-CD1 4.04Å; F323-L329 HydrophobicContact CG-CB 4.35Å; F323-H332 HydrophobicContact CE1-CB 4.05Å; F323-H332 HydrophobicContact CE2-CB 3.8Å; F323-H332 AromaticContact CE2-CD2 3.46Å; F323-H332 VanDerWaalsContact CE2-CD2 3.46Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.31Å; F323-H332 AromaticContact CE2-CG 3.64Å; F323-H332 HydrophobicContact CZ-CB 3.4Å; F323-H332 AromaticContact CZ-CD2 3.56Å; F323-H332 AromaticContact CZ-CG 3.27Å; F323-H332 AromaticContact CZ-ND1 3.85Å
324I79.9Confident84.8Confident32 Ų3267.5 Ų67.516%0.16435%0.345CS..SBendtrans-75.7-30.4176.3-60.4165.8000111.1R306 I307 K312 Y314R306-I324 HydrophobicContact CB-CG2 3.62Å; I307-I324 HydrophobicContact CG1-CG2 4.48Å; K312-I324 HydrophobicContact CG-CG1 4.03Å; Y314-I324 WeakPolarHBondContact CD2-O 3.35Å; Y314-I324 WeakPolarHBondContact CE2-O 3.44Å
325H80.4Confident84.6Confident42 Ų4267.3 Ų67.319%0.19435%0.354CS..SBendtrans-117.5141.1-178.4-60.4145.8000112.1Q303 Y314 S327 S328 L329Q303-H325 WeakPolarHBondContact CG-NE2 3.46Å; Q303-H325 PolarHBondContact NE2-CD2 3.25Å; Q303-H325 VanDerWaalsContact NE2-CD2 3.33Å; Q303-H325 PolarHBondContact NE2-NE2 3.33Å; Y314-H325 VanDerWaalsContact CD2-C 3.48Å; H325-S327 VanDerWaalsContact C-N 3.34Å; H325-S327 PolarHBondContact O-N 3.23Å; H325-S328 WeakPolarHBondContact O-CB 3.4Å; H325-S328 PolarHBondContact O-N 2.85Å; H325-L329 PolarHBondContact O-N 2.92Å
326S83.6Confident84.3Confident56 Ų5664.8 Ų64.839%0.39234%0.342SS..Hα-helixtrans-64.6-36176.657.60000112.8S328 L329 I330S326-S328 VanDerWaalsContact C-N 3.3Å; S326-S328 PolarHBondContact O-N 3.16Å; S326-L329 WeakPolarHBondContact O-CB 3.46Å; S326-L329 PolarHBondContact O-N 3.48Å; S326-I330 WeakPolarHBondContact O-CG1 3.29Å; S326-I330 PolarHBondContact O-N 2.81Å
327S82.9Confident83.9Confident57 Ų5768.7 Ų68.740%0.39937%0.367SS..Hα-helixtrans-61.3-39.517652.40000112H325 I330 H331H325-S327 VanDerWaalsContact C-N 3.34Å; H325-S327 PolarHBondContact O-N 3.23Å; S327-I330 PolarHBondContact O-N 3.24Å; S327-H331 VanDerWaalsContact O-CG 3.28Å; S327-H331 PolarHBondContact O-N 3.34Å
328S84.3Confident83.3Confident47 Ų4760.8 Ų60.833%0.32935%0.353SS..Hα-helixtrans-63.3-42.7174.7-580000111.5H325 S326 H331 H332H325-S328 WeakPolarHBondContact O-CB 3.4Å; H325-S328 PolarHBondContact O-N 2.85Å; S326-S328 VanDerWaalsContact C-N 3.3Å; S326-S328 PolarHBondContact O-N 3.16Å; S328-H331 PolarHBondContact O-N 3.09Å; S328-H332 VanDerWaalsContact O-CB 3.29Å; S328-H332 WeakPolarHBondContact O-CB 3.32Å; S328-H332 PolarHBondContact O-N 2.87Å
329L87.4Confident82.9Confident20 Ų2060.6 Ų60.611%0.10535%0.349CS..Hα-helixtrans-61.7-46.5173.7173.162.3000111.7C316 F323 H325 S326 H331 H332 Q333C316-L329 HydrophobicContact CB-CD1 3.63Å; F323-L329 HydrophobicContact CB-CB 4.41Å; F323-L329 HydrophobicContact CD2-CB 3.91Å; F323-L329 HydrophobicContact CD2-CD1 3.89Å; F323-L329 HydrophobicContact CE2-CD1 4.04Å; F323-L329 HydrophobicContact CG-CB 4.35Å; H325-L329 PolarHBondContact O-N 2.92Å; S326-L329 WeakPolarHBondContact O-CB 3.46Å; S326-L329 PolarHBondContact O-N 3.48Å; L329-H331 VanDerWaalsContact C-N 3.34Å; L329-H331 PolarHBondContact O-N 3Å; L329-H332 CarbonylContact O-C 3.46Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 3.32Å; L329-Q333 HydrophobicContact CD1-CG 4Å; L329-Q333 HydrophobicContact CG-CG 4.37Å; L329-Q333 WeakPolarHBondContact O-CG 3.39Å; L329-Q333 PolarHBondContact O-N 3.44Å
330I84.8Confident82.7Confident85 Ų8564.1 Ų64.144%0.43636%0.358SS..Hα-helixtrans-60.2-44.9179.2-68.6164.9000110.7S326 S327 H332 Q333 K334S326-I330 WeakPolarHBondContact O-CG1 3.29Å; S326-I330 PolarHBondContact O-N 2.81Å; S327-I330 PolarHBondContact O-N 3.24Å; I330-H332 VanDerWaalsContact C-N 3.32Å; I330-H332 PolarHBondContact O-N 3.01Å; I330-Q333 PolarHBondContact O-N 3.48Å; I330-K334 PolarHBondContact O-N 3.39Å
331H82Confident82.7Confident86 Ų8666 Ų6640%0.39836%0.363SS..Hα-helixtrans-63.5-40.5176.5-69.6176.9000111.9S327 S328 L329 K334S327-H331 VanDerWaalsContact O-CG 3.28Å; S327-H331 PolarHBondContact O-N 3.34Å; S328-H331 PolarHBondContact O-N 3.09Å; L329-H331 VanDerWaalsContact C-N 3.34Å; L329-H331 PolarHBondContact O-N 3Å; H331-K334 PolarHBondContact O-N 3Å
332H85.3Confident82.8Confident31 Ų3163.8 Ų63.814%0.14435%0.352CS..Hα-helixtrans-64.3-40.4175.1173.664.5000112.2C316 C319 F323 S328 L329 I330 K334 S335 H336C316-H332 VanDerWaalsContact SG-CD2 3.58Å; C319-H332 PolarHBondContact SG-NE2 3.19Å; F323-H332 HydrophobicContact CE1-CB 4.05Å; F323-H332 HydrophobicContact CE2-CB 3.8Å; F323-H332 AromaticContact CE2-CD2 3.46Å; F323-H332 VanDerWaalsContact CE2-CD2 3.46Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.31Å; F323-H332 AromaticContact CE2-CG 3.64Å; F323-H332 HydrophobicContact CZ-CB 3.4Å; F323-H332 AromaticContact CZ-CD2 3.56Å; F323-H332 AromaticContact CZ-CG 3.27Å; F323-H332 AromaticContact CZ-ND1 3.85Å; S328-H332 VanDerWaalsContact O-CB 3.29Å; S328-H332 WeakPolarHBondContact O-CB 3.32Å; S328-H332 PolarHBondContact O-N 2.87Å; L329-H332 CarbonylContact O-C 3.46Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 3.32Å; I330-H332 VanDerWaalsContact C-N 3.32Å; I330-H332 PolarHBondContact O-N 3.01Å; H332-K334 VanDerWaalsContact C-N 3.26Å; H332-K334 PolarHBondContact O-N 3.21Å; H332-S335 VanDerWaalsContact O-CB 3.31Å; H332-S335 WeakPolarHBondContact O-CB 3.46Å; H332-S335 PolarHBondContact O-N 3.02Å; H332-S335 PolarHBondContact O-OG 2.87Å; H332-H336 AromaticContact CD2-NE2 3.79Å; H332-H336 AromaticContact CE1-CE1 3.96Å; H332-H336 AromaticContact CE1-NE2 3.5Å; H332-H336 PolarHBondContact CE1-NE2 3.1Å; H332-H336 AromaticContact NE2-CD2 3.88Å; H332-H336 AromaticContact NE2-CE1 3.8Å; H332-H336 AromaticContact NE2-NE2 2.99Å; H332-H336 PolarHBondContact NE2-NE2 3.18Å
333Q84.8Confident83Confident74 Ų7467.8 Ų67.835%0.34637%0.365SS..Hα-helixtrans-60.6-35.9177.6-77174.9-35.200112.5L329 I330 S335 H336L329-Q333 HydrophobicContact CD1-CG 4Å; L329-Q333 HydrophobicContact CG-CG 4.37Å; L329-Q333 WeakPolarHBondContact O-CG 3.39Å; L329-Q333 PolarHBondContact O-N 3.44Å; I330-Q333 PolarHBondContact O-N 3.48Å; Q333-S335 PolarHBondContact O-N 3.33Å; Q333-H336 WeakPolarHBondContact O-CB 3.47Å; Q333-H336 PolarHBondContact O-N 3.37Å
334K83.5Confident83.3Confident54 Ų5465.6 Ų65.624%0.23536%0.355CS..Hα-helixtrans-62.5-22173.8-66179.3179.3-171.90113.8I330 H331 H332 H336 T337 G338 C352I330-K334 PolarHBondContact O-N 3.39Å; H331-K334 PolarHBondContact O-N 3Å; H332-K334 VanDerWaalsContact C-N 3.26Å; H332-K334 PolarHBondContact O-N 3.21Å; K334-H336 VanDerWaalsContact C-N 3.31Å; K334-T337 PolarHBondContact O-OG1 3.18Å; K334-G338 PolarHBondContact O-N 2.85Å; K334-C352 HydrophobicContact CB-CB 4.37Å
335S81.1Confident83.6Confident68 Ų6875.9 Ų75.948%0.47639%0.392SS..Hα-helixtrans-72-25.7173.874.10000113H332 Q333H332-S335 VanDerWaalsContact O-CB 3.31Å; H332-S335 WeakPolarHBondContact O-CB 3.46Å; H332-S335 PolarHBondContact O-N 3.02Å; H332-S335 PolarHBondContact O-OG 2.87Å; Q333-S335 PolarHBondContact O-N 3.33Å
336H82.2Confident83.7Confident70 Ų7080.2 Ų80.232%0.32441%0.412SS..Hα-helixtrans-77.3-35.5176.8-66.1-57.8000112.6C316 I318 C319 H332 Q333 K334 G338C316-H336 PolarHBondContact SG-NE2 2.91Å; I318-H336 HydrophobicContact CD1-CB 3.68Å; I318-H336 HydrophobicContact CG2-CB 4.33Å; C319-H336 PolarHBondContact SG-NE2 2.89Å; C319-H336 VanDerWaalsContact SG-NE2 3.41Å; H332-H336 AromaticContact CD2-NE2 3.79Å; H332-H336 AromaticContact CE1-CE1 3.96Å; H332-H336 AromaticContact CE1-NE2 3.5Å; H332-H336 PolarHBondContact CE1-NE2 3.1Å; H332-H336 AromaticContact NE2-CD2 3.88Å; H332-H336 AromaticContact NE2-CE1 3.8Å; H332-H336 AromaticContact NE2-NE2 2.99Å; H332-H336 PolarHBondContact NE2-NE2 3.18Å; Q333-H336 WeakPolarHBondContact O-CB 3.47Å; Q333-H336 PolarHBondContact O-N 3.37Å; K334-H336 VanDerWaalsContact C-N 3.31Å; H336-G338 VanDerWaalsContact C-N 3.26Å; H336-G338 PolarHBondContact O-N 2.79Å
337T80.6Confident83.8Confident83 Ų8380.1 Ų80.151%0.50941%0.411SS..Hα-helixtrans-79-13.3179.260.40000112.6K334 E339K334-T337 PolarHBondContact O-OG1 3.18Å; T337-E339 PolarHBondContact O-N 3.19Å; T337-E339 VanDerWaalsContact O-N 3.14Å; T337-E339 WeakPolarHBondContact OG1-CG 3.14Å; T337-E339 PolarHBondContact OG1-N 3.23Å
338G74.8Confident83.8Confident51 Ų5179.3 Ų79.353%0.52641%0.411SS..  trans67.65.2-17400000113.6K334 H336 K340K334-G338 PolarHBondContact O-N 2.85Å; H336-G338 VanDerWaalsContact C-N 3.26Å; H336-G338 PolarHBondContact O-N 2.79Å; G338-K340 PolarHBondContact O-N 3.25Å
339E77.8Confident83.8Confident111 Ų11183.2 Ų83.252%0.51942%0.423SS..  trans-64.3123.2-179.8-73.6177.2-166.200109.8T337 P341T337-E339 PolarHBondContact O-N 3.19Å; T337-E339 VanDerWaalsContact O-N 3.14Å; T337-E339 WeakPolarHBondContact OG1-CG 3.14Å; T337-E339 PolarHBondContact OG1-N 3.23Å; E339-P341 VanDerWaalsContact C-CD 3.46Å; E339-P341 WeakPolarHBondContact O-CD 3.23Å
340K82.4Confident83.8Confident129 Ų12984 Ų8456%0.56143%0.431SS*.  trans-122.573.1177.1-69.8168.5172.8-1760110G338 Y342 A350 F351G338-K340 PolarHBondContact O-N 3.25Å; K340-Y342 PolarHBondContact O-N 3.39Å; K340-Y342 VanDerWaalsContact O-N 3.1Å; K340-A350 HydrophobicContact CB-CB 3.52Å; K340-A350 HydrophobicContact CD-CB 4.16Å; K340-A350 WeakPolarHBondContact CD-O 3.44Å; K340-A350 HydrophobicContact CG-CB 4.42Å; K340-F351 CarbonylContact C-O 3.46Å; K340-F351 VanDerWaalsContact C-O 3.31Å; K340-F351 VanDerWaalsContact CA-O 3.26Å; K340-F351 WeakPolarHBondContact CA-O 3.37Å
341P84.9Confident83.8Confident79 Ų7982 Ų8251%0.51342%0.42SS..  trans-67.3-13.4-174.7-18.933.2000113.7E339E339-P341 VanDerWaalsContact C-CD 3.46Å; E339-P341 WeakPolarHBondContact O-CD 3.23Å
342Y87.4Confident83.8Confident81 Ų8179.3 Ų79.332%0.31841%0.41SS..EExtended strand (participates in β ladder)trans-107.893.9-171.5-56.6-76.1000110.4K340 A350 F351 C352K340-Y342 PolarHBondContact O-N 3.39Å; K340-Y342 VanDerWaalsContact O-N 3.1Å; Y342-A350 CarbonylContact O-C 3.57Å; Y342-A350 WeakPolarHBondContact O-CA 3.43Å; Y342-F351 WeakPolarHBondContact CB-O 3.3Å; Y342-F351 WeakPolarHBondContact CD2-O 3.12Å; Y342-F351 PolarHBondContact N-O 3.46Å; Y342-F351 PolarHBondContact O-N 2.99Å; Y342-C352 WeakPolarHBondContact CE2-O 3.41Å
343E89.1Confident83.6Confident121 Ų12178.1 Ų78.157%0.56541%0.405SS*.EExtended strand (participates in β ladder)trans-94.1136.1179.7-165.4-178.5159.600112.7R345 G348 A350E343-R345 PolarHBondContact O-N 3.19Å; E343-G348 WeakPolarHBondContact OE1-CA 3.26Å; E343-A350 HydrophobicContact CB-CB 4.43Å; E343-A350 HydrophobicContact CG-CB 4.41Å
344C89Confident83.6Confident0 Ų077.6 Ų77.60%041%0.41CS..  trans-77.2113.2170.2179.80000110.2E346 C347 G348 K349 F351 L357 H364C344-E346 PolarHBondContact O-N 3.5Å; C344-E346 VanDerWaalsContact O-N 3.16Å; C344-C347 PolarHBondContact O-N 3.14Å; C344-G348 VanDerWaalsContact O-CA 3.29Å; C344-G348 WeakPolarHBondContact O-CA 3.5Å; C344-G348 PolarHBondContact O-N 3.48Å; C344-K349 WeakPolarHBondContact CB-O 3.33Å; C344-K349 PolarHBondContact N-O 3.04Å; C344-F351 HydrophobicContact CB-CE2 4.39Å; C344-L357 HydrophobicContact CB-CD1 3.62Å; C344-H364 PolarHBondContact SG-NE2 2.75Å; C344-H364 VanDerWaalsContact SG-NE2 3.43Å
345R87.7Confident83.6Confident248 Ų24878.2 Ų78.294%0.93642%0.421SS*.THydrogen-bonded Turntrans-62.3-21.6179-64.4-172.6177.1-162.9-2.3114.7E343E343-R345 PolarHBondContact O-N 3.19Å
346E82.9Confident83.8Confident134 Ų13479.1 Ų79.163%0.62642%0.418SS*.THydrogen-bonded Turntrans-86.6-27.3-177.1-67.6169.5148.700113C344 H364C344-E346 PolarHBondContact O-N 3.5Å; C344-E346 VanDerWaalsContact O-N 3.16Å; E346-H364 WeakPolarHBondContact OE2-CB 3.34Å; E346-H364 IonicContact OE2-CD2 3.03Å; E346-H364 PolarHBondContact OE2-CD2 3.45Å; E346-H364 IonicContact OE2-CG 3.06Å
347C84.9Confident84Confident54 Ų5476.7 Ų76.737%0.36541%0.407SS..THydrogen-bonded Turntrans-138.36.6-176.472.70000115.2C344 K349 H360 H364C344-C347 PolarHBondContact O-N 3.14Å; C347-K349 PolarHBondContact O-N 2.79Å; C347-H360 PolarHBondContact SG-NE2 3.49Å; C347-H364 PolarHBondContact SG-NE2 2.88Å
348G83.4Confident84.2Confident40 Ų4076.1 Ų76.141%0.41240%0.404SS..  trans68.31.2179.300000115.3E343 C344 A350E343-G348 WeakPolarHBondContact OE1-CA 3.26Å; C344-G348 VanDerWaalsContact O-CA 3.29Å; C344-G348 WeakPolarHBondContact O-CA 3.5Å; C344-G348 PolarHBondContact O-N 3.48Å; G348-A350 PolarHBondContact O-N 3.05Å
349K84.6Confident84.6Confident129 Ų12976.6 Ų76.656%0.56139%0.392SS*.  trans-69.7124.8179.5-74-176.1-179.4179.30110.7C344 C347 F351C344-K349 WeakPolarHBondContact CB-O 3.33Å; C344-K349 PolarHBondContact N-O 3.04Å; C347-K349 PolarHBondContact O-N 2.79Å; K349-F351 HydrophobicContact CB-CE2 3.9Å; K349-F351 HydrophobicContact CB-CZ 4.02Å; K349-F351 WeakPolarHBondContact O-CD2 3.39Å; K349-F351 VanDerWaalsContact O-CE2 3.24Å; K349-F351 WeakPolarHBondContact O-CE2 3.44Å
350A87.2Confident84.8Confident35 Ų3572.1 Ų72.129%0.28937%0.371SS..EExtended strand (participates in β ladder)trans-101.7142.7179.600000112.6K340 Y342 E343 G348K340-A350 HydrophobicContact CB-CB 3.52Å; K340-A350 HydrophobicContact CD-CB 4.16Å; K340-A350 WeakPolarHBondContact CD-O 3.44Å; K340-A350 HydrophobicContact CG-CB 4.42Å; Y342-A350 CarbonylContact O-C 3.57Å; Y342-A350 WeakPolarHBondContact O-CA 3.43Å; E343-A350 HydrophobicContact CB-CB 4.43Å; E343-A350 HydrophobicContact CG-CB 4.41Å; G348-A350 PolarHBondContact O-N 3.05Å
351F84.1Confident84.8Confident43 Ų4369.7 Ų69.719%0.18936%0.362CS..EExtended strand (participates in β ladder)trans-126.7149.4-175.8-58.8-90000110.9K340 Y342 C344 K349 C353 H356 L357 H360K340-F351 CarbonylContact C-O 3.46Å; K340-F351 VanDerWaalsContact C-O 3.31Å; K340-F351 VanDerWaalsContact CA-O 3.26Å; K340-F351 WeakPolarHBondContact CA-O 3.37Å; Y342-F351 WeakPolarHBondContact CB-O 3.3Å; Y342-F351 WeakPolarHBondContact CD2-O 3.12Å; Y342-F351 PolarHBondContact N-O 3.46Å; Y342-F351 PolarHBondContact O-N 2.99Å; C344-F351 HydrophobicContact CB-CE2 4.39Å; K349-F351 HydrophobicContact CB-CE2 3.9Å; K349-F351 HydrophobicContact CB-CZ 4.02Å; K349-F351 WeakPolarHBondContact O-CD2 3.39Å; K349-F351 VanDerWaalsContact O-CE2 3.24Å; K349-F351 WeakPolarHBondContact O-CE2 3.44Å; F351-C353 VanDerWaalsContact C-N 3.31Å; F351-H356 HydrophobicContact CB-CB 4.17Å; F351-H356 HydrophobicContact CD1-CB 3.86Å; F351-H356 HydrophobicContact CG-CB 4.26Å; F351-L357 HydrophobicContact CB-CB 4.32Å; F351-L357 HydrophobicContact CD2-CB 3.86Å; F351-L357 HydrophobicContact CD2-CD1 3.78Å; F351-L357 HydrophobicContact CD2-CG 4.43Å; F351-L357 HydrophobicContact CE2-CD1 3.94Å; F351-L357 HydrophobicContact CG-CB 4.27Å; F351-H360 HydrophobicContact CE1-CB 3.91Å; F351-H360 HydrophobicContact CE2-CB 3.75Å; F351-H360 AromaticContact CE2-CD2 3.49Å; F351-H360 VanDerWaalsContact CE2-CD2 3.49Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.45Å; F351-H360 AromaticContact CE2-CG 3.56Å; F351-H360 HydrophobicContact CZ-CB 3.33Å; F351-H360 AromaticContact CZ-CD2 3.57Å; F351-H360 AromaticContact CZ-CG 3.16Å; F351-H360 AromaticContact CZ-ND1 3.6Å
352C82.1Confident84.6Confident30 Ų3071.8 Ų71.820%0.20336%0.359CS..SBendtrans-75.1-20176.757.20000113.5K334 Y342K334-C352 HydrophobicContact CB-CB 4.37Å; Y342-C352 WeakPolarHBondContact CE2-O 3.41Å
353C81.3Confident84.1Confident6 Ų672.5 Ų72.54%0.04137%0.367CS..SBendtrans-133.6140.7-175.9-62.50000111.1F351 S355 H356 L357F351-C353 VanDerWaalsContact C-N 3.31Å; C353-S355 VanDerWaalsContact C-N 3.28Å; C353-S355 PolarHBondContact O-N 3.18Å; C353-H356 PolarHBondContact O-N 3.2Å; C353-L357 PolarHBondContact O-N 3.34Å
354S85.3Confident83.3Confident64 Ų6469.8 Ų69.845%0.44836%0.355SS..Hα-helixtrans-62.2-35177.464.40000112.6H356 L357 T358S354-H356 VanDerWaalsContact C-N 3.32Å; S354-H356 PolarHBondContact O-N 2.88Å; S354-L357 WeakPolarHBondContact O-CB 3.33Å; S354-L357 PolarHBondContact O-N 3.2Å; S354-T358 PolarHBondContact O-N 3.17Å; S354-T358 PolarHBondContact O-OG1 3.33Å; S354-T358 VanDerWaalsContact O-OG1 3.08Å
355S83.1Confident82.3Confident66 Ų6673.4 Ų73.446%0.46238%0.38SS..Hα-helixtrans-60.8-39.9176.854.20000112.6C353 T358 Q359C353-S355 VanDerWaalsContact C-N 3.28Å; C353-S355 PolarHBondContact O-N 3.18Å; S355-T358 PolarHBondContact O-N 3.2Å; S355-Q359 WeakPolarHBondContact O-CB 3.02Å; S355-Q359 PolarHBondContact O-N 2.94Å
356H84.3Confident80.9Confident87 Ų8768.9 Ų68.940%0.40337%0.372SS..Hα-helixtrans-68.5-40.1175.7-65.4166000111.2F351 C353 S354 Q359 H360F351-H356 HydrophobicContact CB-CB 4.17Å; F351-H356 HydrophobicContact CD1-CB 3.86Å; F351-H356 HydrophobicContact CG-CB 4.26Å; C353-H356 PolarHBondContact O-N 3.2Å; S354-H356 VanDerWaalsContact C-N 3.32Å; S354-H356 PolarHBondContact O-N 2.88Å; H356-Q359 PolarHBondContact O-N 2.88Å; H356-H360 VanDerWaalsContact O-CB 3.29Å; H356-H360 WeakPolarHBondContact O-CB 3.45Å; H356-H360 PolarHBondContact O-N 3.03Å
357L86.6Confident79.6Confident20 Ų2071.6 Ų71.611%0.10538%0.381CS..Hα-helixtrans-60.6-47.3172.1172.961.9000111.2C344 F351 C353 S354 Q359 H360 Q361C344-L357 HydrophobicContact CB-CD1 3.62Å; F351-L357 HydrophobicContact CB-CB 4.32Å; F351-L357 HydrophobicContact CD2-CB 3.86Å; F351-L357 HydrophobicContact CD2-CD1 3.78Å; F351-L357 HydrophobicContact CD2-CG 4.43Å; F351-L357 HydrophobicContact CE2-CD1 3.94Å; F351-L357 HydrophobicContact CG-CB 4.27Å; C353-L357 PolarHBondContact O-N 3.34Å; S354-L357 WeakPolarHBondContact O-CB 3.33Å; S354-L357 PolarHBondContact O-N 3.2Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 2.69Å; L357-H360 CarbonylContact O-C 3.54Å; L357-H360 WeakPolarHBondContact O-CB 3.25Å; L357-H360 PolarHBondContact O-N 3.45Å; L357-H360 VanDerWaalsContact O-N 3.13Å; L357-Q361 HydrophobicContact CD1-CG 4.06Å; L357-Q361 HydrophobicContact CG-CG 4.38Å; L357-Q361 VanDerWaalsContact O-CG 3.32Å; L357-Q361 WeakPolarHBondContact O-CG 3.26Å; L357-Q361 PolarHBondContact O-N 2.84Å
358T85.6Confident78.2Confident71 Ų7177 Ų7744%0.43640%0.398SS..Hα-helixtrans-61.5-38.9178.1-590000111.9S354 S355S354-T358 PolarHBondContact O-N 3.17Å; S354-T358 PolarHBondContact O-OG1 3.33Å; S354-T358 VanDerWaalsContact O-OG1 3.08Å; S355-T358 PolarHBondContact O-N 3.2Å
359Q82.6Confident77.7Confident60 Ų6081.9 Ų81.928%0.2841%0.409SS..Hα-helixtrans-64.8-44.4173.4-175.8178.739.500111.2S355 H356 L357 Q361 R362S355-Q359 WeakPolarHBondContact O-CB 3.02Å; S355-Q359 PolarHBondContact O-N 2.94Å; H356-Q359 PolarHBondContact O-N 2.88Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 2.69Å; Q359-Q361 PolarHBondContact O-N 3.38Å; Q359-R362 VanDerWaalsContact O-CB 3.31Å; Q359-R362 WeakPolarHBondContact O-CB 3.34Å; Q359-R362 PolarHBondContact O-N 3.42Å
360H83.4Confident77.2Confident18 Ų1879.1 Ų79.18%0.08340%0.395CS..Hα-helixtrans-62.4-39.9177.5171.372.8000112.6C347 F351 H356 L357 R362 I363 H364C347-H360 PolarHBondContact SG-NE2 3.49Å; F351-H360 HydrophobicContact CE1-CB 3.91Å; F351-H360 HydrophobicContact CE2-CB 3.75Å; F351-H360 AromaticContact CE2-CD2 3.49Å; F351-H360 VanDerWaalsContact CE2-CD2 3.49Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.45Å; F351-H360 AromaticContact CE2-CG 3.56Å; F351-H360 HydrophobicContact CZ-CB 3.33Å; F351-H360 AromaticContact CZ-CD2 3.57Å; F351-H360 AromaticContact CZ-CG 3.16Å; F351-H360 AromaticContact CZ-ND1 3.6Å; H356-H360 VanDerWaalsContact O-CB 3.29Å; H356-H360 WeakPolarHBondContact O-CB 3.45Å; H356-H360 PolarHBondContact O-N 3.03Å; L357-H360 CarbonylContact O-C 3.54Å; L357-H360 WeakPolarHBondContact O-CB 3.25Å; L357-H360 PolarHBondContact O-N 3.45Å; L357-H360 VanDerWaalsContact O-N 3.13Å; H360-R362 PolarHBondContact O-N 2.94Å; H360-R362 VanDerWaalsContact O-N 3.1Å; H360-I363 WeakPolarHBondContact O-CB 3.36Å; H360-I363 WeakPolarHBondContact O-CG1 3.34Å; H360-I363 PolarHBondContact O-N 3.18Å; H360-H364 AromaticContact CD2-NE2 3.91Å; H360-H364 AromaticContact CE1-NE2 3.64Å; H360-H364 AromaticContact NE2-CD2 3.79Å; H360-H364 AromaticContact NE2-NE2 3.06Å; H360-H364 PolarHBondContact NE2-NE2 3.03Å
361Q82.3Confident76.8Confident77 Ų7782.6 Ų82.636%0.3641%0.405SS..Hα-helixtrans-59.9-21.8176.4-75.6172.1-34.900113.1L357 Q359 I363 H364 S365L357-Q361 HydrophobicContact CD1-CG 4.06Å; L357-Q361 HydrophobicContact CG-CG 4.38Å; L357-Q361 VanDerWaalsContact O-CG 3.32Å; L357-Q361 WeakPolarHBondContact O-CG 3.26Å; L357-Q361 PolarHBondContact O-N 2.84Å; Q359-Q361 PolarHBondContact O-N 3.38Å; Q361-I363 PolarHBondContact O-N 2.97Å; Q361-H364 PolarHBondContact O-N 3.45Å; Q361-S365 PolarHBondContact O-N 3.39Å
362R80.8Confident76.7Confident124 Ų12480.5 Ų80.547%0.46840%0.396SS..Hα-helixtrans-68.6-18172.6-58.5177.7-173.4174.70.6113.2Q359 H360Q359-R362 VanDerWaalsContact O-CB 3.31Å; Q359-R362 WeakPolarHBondContact O-CB 3.34Å; Q359-R362 PolarHBondContact O-N 3.42Å; H360-R362 PolarHBondContact O-N 2.94Å; H360-R362 VanDerWaalsContact O-N 3.1Å
363I75.8Confident76.7Confident95 Ų9585 Ų8549%0.48742%0.418SS..Hα-helixtrans-72.3-38.5175.4-57.9172.4000109.8H360 Q361H360-I363 WeakPolarHBondContact O-CB 3.36Å; H360-I363 WeakPolarHBondContact O-CG1 3.34Å; H360-I363 PolarHBondContact O-N 3.18Å; Q361-I363 PolarHBondContact O-N 2.97Å
364H73.3Confident76.8Confident64 Ų6490.6 Ų90.630%0.29644%0.442SS..Hα-helixtrans-77.8-36.8176.6-58.9-56.1000111.9C344 E346 C347 H360 Q361 M366C344-H364 PolarHBondContact SG-NE2 2.75Å; C344-H364 VanDerWaalsContact SG-NE2 3.43Å; E346-H364 WeakPolarHBondContact OE2-CB 3.34Å; E346-H364 IonicContact OE2-CD2 3.03Å; E346-H364 PolarHBondContact OE2-CD2 3.45Å; E346-H364 IonicContact OE2-CG 3.06Å; C347-H364 PolarHBondContact SG-NE2 2.88Å; H360-H364 AromaticContact CD2-NE2 3.91Å; H360-H364 AromaticContact CE1-NE2 3.64Å; H360-H364 AromaticContact NE2-CD2 3.79Å; H360-H364 AromaticContact NE2-NE2 3.06Å; H360-H364 PolarHBondContact NE2-NE2 3.03Å; Q361-H364 PolarHBondContact O-N 3.45Å; H364-M366 PolarHBondContact O-N 2.87Å
365S66.3Low76.9Confident77 Ų7789.9 Ų89.954%0.53844%0.436SS..SBendtrans-78.284.3173.9-145.80000109.8Q361 K367Q361-S365 PolarHBondContact O-N 3.39Å; S365-K367 PolarHBondContact O-N 3.28Å
366M58.4Low76.7Confident153 Ų15392.3 Ų92.375%0.75444%0.443SS*.THydrogen-bonded Turntrans-58.222.4-178.6-64.2-157-163.900116.3H364H364-M366 PolarHBondContact O-N 2.87Å
367K55.9Low76.4Confident191 Ų19194 Ų9483%0.8345%0.449SS*.THydrogen-bonded Turntrans-106-5.4-167.2-84.2-171.5173.8-179.40117.8S365S365-K367 PolarHBondContact O-N 3.28Å
368K56.8Low75.7Confident166 Ų16696.7 Ų96.772%0.72247%0.467SS*.  trans-142.686.3165.1-77.4-166.3177.3179.30111.7Y370K368-Y370 HydrophobicContact CB-CE2 4.47Å
369K72.3Confident75.1Confident144 Ų14495.2 Ų95.263%0.62645%0.454SS*.  trans-77.5126.9167-77.8174.5172.6-175.50108.2V378K369-V378 HydrophobicContact CB-CG1 3.42Å; K369-V378 VanDerWaalsContact CB-CG1 3.42Å; K369-V378 HydrophobicContact CD-CG1 3.75Å; K369-V378 HydrophobicContact CG-CG1 3.43Å; K369-V378 VanDerWaalsContact CG-CG1 3.43Å
370Y74.1Confident74.5Confident71 Ų7194.2 Ų94.228%0.27845%0.454SS..EExtended strand (participates in β ladder)trans-99.6114.1173.9-66.8-84000108K368 F379 S381 F382K368-Y370 HydrophobicContact CB-CE2 4.47Å; Y370-F379 PolarHBondContact N-O 3.11Å; Y370-F379 PolarHBondContact O-N 3.03Å; Y370-S381 VanDerWaalsContact CD2-C 3.44Å; Y370-F382 HydrophobicContact CD1-CB 3.91Å; Y370-F382 AromaticContact CD1-CD2 3.67Å; Y370-F382 HydrophobicContact CD1-CD2 3.67Å; Y370-F382 HydrophobicContact CD1-CG 4.28Å; Y370-F382 HydrophobicContact CD2-CB 4.35Å; Y370-F382 HydrophobicContact CE1-CB 3.66Å; Y370-F382 AromaticContact CE1-CD2 3.81Å; Y370-F382 HydrophobicContact CE1-CD2 3.81Å; Y370-F382 HydrophobicContact CE1-CG 4.15Å; Y370-F382 HydrophobicContact CE2-CB 4.13Å; Y370-F382 VanDerWaalsContact CE2-N 3.35Å; Y370-F382 HydrophobicContact CG-CB 4.22Å; Y370-F382 HydrophobicContact CG-CD2 4.48Å
371E78.1Confident73.9Confident107 Ų10793.5 Ų93.550%0.545%0.451SS..EExtended strand (participates in β ladder)trans-98.9135.4-174.5-173173.2174.100111.3N373 L376 K377 V378E371-N373 PolarHBondContact O-N 3.32Å; E371-L376 WeakPolarHBondContact OE1-CB 3.2Å; E371-L376 WeakPolarHBondContact OE1-CD2 3.37Å; E371-K377 WeakPolarHBondContact CA-O 3.42Å; E371-V378 HydrophobicContact CG-CG2 4.42Å
372C81.9Confident73.7Confident0 Ų095.1 Ų95.10%046%0.457CS..  trans-74.6116.6170.6-177.20000110K374 C375 L376 K377 F379 L385 H392C372-K374 PolarHBondContact O-N 2.82Å; C372-K374 VanDerWaalsContact O-N 3.15Å; C372-C375 PolarHBondContact O-N 3.12Å; C372-L376 WeakPolarHBondContact O-CA 3.16Å; C372-L376 PolarHBondContact O-N 3.36Å; C372-K377 PolarHBondContact N-O 2.84Å; C372-F379 HydrophobicContact CB-CE2 4.24Å; C372-L385 VanDerWaalsContact CA-CD1 3.49Å; C372-L385 HydrophobicContact CB-CD1 3.7Å; C372-H392 VanDerWaalsContact SG-CD2 3.55Å; C372-H392 PolarHBondContact SG-NE2 2.8Å
373N83.3Confident73.4Confident123 Ų12393 Ų9366%0.65846%0.461SS*.THydrogen-bonded Turntrans-60.9-19.9176.160.9-18.3000114.9E371E371-N373 PolarHBondContact O-N 3.32Å
374K82.1Confident73.5Confident125 Ų12592.7 Ų92.754%0.54346%0.456SS..THydrogen-bonded Turntrans-90.9-35.9-179.4-71.6-175.5172.7-1780114.1C372 H392C372-K374 PolarHBondContact O-N 2.82Å; C372-K374 VanDerWaalsContact O-N 3.15Å; K374-H392 HydrophobicContact CB-CB 4.47Å; K374-H392 HydrophobicContact CD-CB 3.36Å; K374-H392 PolarHBondContact NZ-O 2.73Å
375C86.9Confident73.9Confident49 Ų4990.1 Ų90.133%0.33145%0.445SS..THydrogen-bonded Turntrans-132.910.5-176.4790000114.4C372 K377 H388 H392C372-C375 PolarHBondContact O-N 3.12Å; C375-K377 PolarHBondContact O-N 2.89Å; C375-H388 PolarHBondContact SG-NE2 3.11Å; C375-H392 PolarHBondContact SG-NE2 3.27Å
376L79.1Confident74.5Confident116 Ų11689.7 Ų89.761%0.60744%0.439SS*.  trans56.417.1175.8-48.8178.5000114.5E371 C372E371-L376 WeakPolarHBondContact OE1-CB 3.2Å; E371-L376 WeakPolarHBondContact OE1-CD2 3.37Å; C372-L376 WeakPolarHBondContact O-CA 3.16Å; C372-L376 PolarHBondContact O-N 3.36Å
377K78.3Confident75.5Confident123 Ų12388.2 Ų88.254%0.53543%0.43SS..  trans-69.5135.5174.1-83.4-177.3177.7176.50109.7E371 C372 C375 F379E371-K377 WeakPolarHBondContact CA-O 3.42Å; C372-K377 PolarHBondContact N-O 2.84Å; C375-K377 PolarHBondContact O-N 2.89Å; K377-F379 HydrophobicContact CB-CE2 3.66Å; K377-F379 HydrophobicContact CB-CZ 3.83Å; K377-F379 WeakPolarHBondContact O-CD2 3.41Å; K377-F379 VanDerWaalsContact O-CE2 3.3Å; K377-F379 WeakPolarHBondContact O-CE2 3.38Å
378V73.3Confident76.7Confident77 Ų7780 Ų8047%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-102.6129.1-176.4175.70000110.8K369 E371K369-V378 HydrophobicContact CB-CG1 3.42Å; K369-V378 VanDerWaalsContact CB-CG1 3.42Å; K369-V378 HydrophobicContact CD-CG1 3.75Å; K369-V378 HydrophobicContact CG-CG1 3.43Å; K369-V378 VanDerWaalsContact CG-CG1 3.43Å; E371-V378 HydrophobicContact CG-CG2 4.42Å
379F73Confident77.8Confident39 Ų3975 Ų7517%0.17137%0.374CS..EExtended strand (participates in β ladder)trans-115.5145.6-179.6-60.5-87000111.2Y370 C372 K377 S381 F384 L385 H388Y370-F379 PolarHBondContact N-O 3.11Å; Y370-F379 PolarHBondContact O-N 3.03Å; C372-F379 HydrophobicContact CB-CE2 4.24Å; K377-F379 HydrophobicContact CB-CE2 3.66Å; K377-F379 HydrophobicContact CB-CZ 3.83Å; K377-F379 WeakPolarHBondContact O-CD2 3.41Å; K377-F379 VanDerWaalsContact O-CE2 3.3Å; K377-F379 WeakPolarHBondContact O-CE2 3.38Å; F379-S381 VanDerWaalsContact C-N 3.28Å; F379-F384 HydrophobicContact CB-CB 4.27Å; F379-F384 HydrophobicContact CD1-CB 3.8Å; F379-F384 HydrophobicContact CG-CB 4.33Å; F379-L385 HydrophobicContact CB-CB 4.21Å; F379-L385 HydrophobicContact CD2-CB 3.93Å; F379-L385 HydrophobicContact CD2-CD1 3.79Å; F379-L385 HydrophobicContact CD2-CG 4.48Å; F379-L385 HydrophobicContact CE2-CD1 4.05Å; F379-L385 HydrophobicContact CG-CB 4.18Å; F379-H388 HydrophobicContact CE1-CB 3.71Å; F379-H388 AromaticContact CE1-CG 3.9Å; F379-H388 HydrophobicContact CE2-CB 3.84Å; F379-H388 AromaticContact CE2-CD2 3.32Å; F379-H388 WeakPolarHBondContact CE2-CD2 3.15Å; F379-H388 AromaticContact CE2-CG 3.6Å; F379-H388 HydrophobicContact CZ-CB 3.32Å; F379-H388 AromaticContact CZ-CD2 3.26Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.4Å; F379-H388 AromaticContact CZ-CG 3.07Å; F379-H388 AromaticContact CZ-ND1 3.63Å; F379-H388 AromaticContact CZ-NE2 3.87Å
380S69.9Low78.2Confident39 Ų3969.6 Ų69.627%0.27335%0.354SS..SBendtrans-80.1-7.7175.656.70000113.7
381S70.5Confident78.4Confident3 Ų372 Ų722%0.02137%0.371CS..SBendtrans-145.8140.6178.5-174.30000111Y370 F379 S383 F384 L385Y370-S381 VanDerWaalsContact CD2-C 3.44Å; F379-S381 VanDerWaalsContact C-N 3.28Å; S381-S383 PolarHBondContact O-N 3.23Å; S381-F384 PolarHBondContact O-N 2.87Å; S381-F384 VanDerWaalsContact O-N 3.14Å; S381-L385 PolarHBondContact O-N 3.27Å; S381-L385 VanDerWaalsContact O-N 3.17Å
382F76.8Confident78.4Confident111 Ų11169.9 Ų69.949%0.48736%0.361SS..Hα-helixtrans-56.8-38.3174.3-174-107.7000112.2Y370 F384 L385 V386Y370-F382 HydrophobicContact CD1-CB 3.91Å; Y370-F382 AromaticContact CD1-CD2 3.67Å; Y370-F382 HydrophobicContact CD1-CD2 3.67Å; Y370-F382 HydrophobicContact CD1-CG 4.28Å; Y370-F382 HydrophobicContact CD2-CB 4.35Å; Y370-F382 HydrophobicContact CE1-CB 3.66Å; Y370-F382 AromaticContact CE1-CD2 3.81Å; Y370-F382 HydrophobicContact CE1-CD2 3.81Å; Y370-F382 HydrophobicContact CE1-CG 4.15Å; Y370-F382 HydrophobicContact CE2-CB 4.13Å; Y370-F382 VanDerWaalsContact CE2-N 3.35Å; Y370-F382 HydrophobicContact CG-CB 4.22Å; Y370-F382 HydrophobicContact CG-CD2 4.48Å; F382-F384 VanDerWaalsContact C-N 3.3Å; F382-F384 PolarHBondContact O-N 3.34Å; F382-L385 HydrophobicContact CD2-CD2 4.37Å; F382-L385 WeakPolarHBondContact O-CB 3.44Å; F382-L385 PolarHBondContact O-N 3.04Å; F382-L385 VanDerWaalsContact O-N 3.11Å; F382-V386 HydrophobicContact CD1-CG2 3.87Å; F382-V386 HydrophobicContact CE1-CG2 3.47Å; F382-V386 VanDerWaalsContact CE1-CG2 3.47Å; F382-V386 HydrophobicContact CE2-CG2 4.23Å; F382-V386 HydrophobicContact CG-CG2 4.4Å; F382-V386 HydrophobicContact CZ-CG2 3.67Å; F382-V386 WeakPolarHBondContact O-CG2 3.41Å; F382-V386 PolarHBondContact O-N 3.17Å
383S76.1Confident77.9Confident80 Ų8072.9 Ų72.956%0.55938%0.379SS*.Hα-helixtrans-61-37.4178.2-48.80000112.9S381 V386 Q387S381-S383 PolarHBondContact O-N 3.23Å; S383-V386 PolarHBondContact O-N 3.12Å; S383-Q387 WeakPolarHBondContact O-CB 3.44Å; S383-Q387 PolarHBondContact O-N 3.13Å
384F77.8Confident76.4Confident88 Ų8876.7 Ų76.739%0.38639%0.393SS..Hα-helixtrans-72.6-34.7175.4-70.6-54.5000111.6F379 S381 F382 H388F379-F384 HydrophobicContact CB-CB 4.27Å; F379-F384 HydrophobicContact CD1-CB 3.8Å; F379-F384 HydrophobicContact CG-CB 4.33Å; S381-F384 PolarHBondContact O-N 2.87Å; S381-F384 VanDerWaalsContact O-N 3.14Å; F382-F384 VanDerWaalsContact C-N 3.3Å; F382-F384 PolarHBondContact O-N 3.34Å; F384-H388 WeakPolarHBondContact O-CB 3.08Å; F384-H388 PolarHBondContact O-N 3.12Å
385L80.8Confident74.8Confident10 Ų1077.9 Ų77.95%0.05240%0.401CS..Hα-helixtrans-61.7-47.1171.4170.963.3000111C372 F379 S381 F382 Q387 H388 Q389C372-L385 VanDerWaalsContact CA-CD1 3.49Å; C372-L385 HydrophobicContact CB-CD1 3.7Å; F379-L385 HydrophobicContact CB-CB 4.21Å; F379-L385 HydrophobicContact CD2-CB 3.93Å; F379-L385 HydrophobicContact CD2-CD1 3.79Å; F379-L385 HydrophobicContact CD2-CG 4.48Å; F379-L385 HydrophobicContact CE2-CD1 4.05Å; F379-L385 HydrophobicContact CG-CB 4.18Å; S381-L385 PolarHBondContact O-N 3.27Å; S381-L385 VanDerWaalsContact O-N 3.17Å; F382-L385 HydrophobicContact CD2-CD2 4.37Å; F382-L385 WeakPolarHBondContact O-CB 3.44Å; F382-L385 PolarHBondContact O-N 3.04Å; F382-L385 VanDerWaalsContact O-N 3.11Å; L385-Q387 PolarHBondContact O-N 2.95Å; L385-H388 CarbonylContact O-C 3.46Å; L385-H388 WeakPolarHBondContact O-CB 3.17Å; L385-H388 PolarHBondContact O-N 3.26Å; L385-H388 VanDerWaalsContact O-N 3.12Å; L385-Q389 HydrophobicContact CD1-CG 3.91Å; L385-Q389 HydrophobicContact CG-CG 4.32Å; L385-Q389 WeakPolarHBondContact O-CB 3.48Å; L385-Q389 VanDerWaalsContact O-CG 3.31Å; L385-Q389 WeakPolarHBondContact O-CG 3.17Å; L385-Q389 PolarHBondContact O-N 3.19Å
386V80.1Confident72.5Confident68 Ų6884.8 Ų84.841%0.41243%0.425SS..Hα-helixtrans-62.1-44.7179.4172.70000111.1F382 S383 H388 Q389 S390F382-V386 HydrophobicContact CD1-CG2 3.87Å; F382-V386 HydrophobicContact CE1-CG2 3.47Å; F382-V386 VanDerWaalsContact CE1-CG2 3.47Å; F382-V386 HydrophobicContact CE2-CG2 4.23Å; F382-V386 HydrophobicContact CG-CG2 4.4Å; F382-V386 HydrophobicContact CZ-CG2 3.67Å; F382-V386 WeakPolarHBondContact O-CG2 3.41Å; F382-V386 PolarHBondContact O-N 3.17Å; S383-V386 PolarHBondContact O-N 3.12Å; V386-H388 VanDerWaalsContact C-N 3.28Å; V386-H388 PolarHBondContact O-N 2.67Å; V386-Q389 PolarHBondContact O-N 3.12Å; V386-S390 PolarHBondContact O-N 3.09Å
387Q79Confident70.7Confident123 Ų12383.5 Ų83.558%0.57542%0.423SS*.Hα-helixtrans-64.3-32.8174-173.1-177.35.300112.5S383 L385 S390S383-Q387 WeakPolarHBondContact O-CB 3.44Å; S383-Q387 PolarHBondContact O-N 3.13Å; L385-Q387 PolarHBondContact O-N 2.95Å; Q387-S390 PolarHBondContact O-OG 3.39Å
388H79.8Confident68.6Low18 Ų1887 Ų878%0.08344%0.439CS..Hα-helixtrans-74.5-35175.4173.469.2000112.3C375 F379 F384 L385 V386 S390 I391 H392C375-H388 PolarHBondContact SG-NE2 3.11Å; F379-H388 HydrophobicContact CE1-CB 3.71Å; F379-H388 AromaticContact CE1-CG 3.9Å; F379-H388 HydrophobicContact CE2-CB 3.84Å; F379-H388 AromaticContact CE2-CD2 3.32Å; F379-H388 WeakPolarHBondContact CE2-CD2 3.15Å; F379-H388 AromaticContact CE2-CG 3.6Å; F379-H388 HydrophobicContact CZ-CB 3.32Å; F379-H388 AromaticContact CZ-CD2 3.26Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.4Å; F379-H388 AromaticContact CZ-CG 3.07Å; F379-H388 AromaticContact CZ-ND1 3.63Å; F379-H388 AromaticContact CZ-NE2 3.87Å; F384-H388 WeakPolarHBondContact O-CB 3.08Å; F384-H388 PolarHBondContact O-N 3.12Å; L385-H388 CarbonylContact O-C 3.46Å; L385-H388 WeakPolarHBondContact O-CB 3.17Å; L385-H388 PolarHBondContact O-N 3.26Å; L385-H388 VanDerWaalsContact O-N 3.12Å; V386-H388 VanDerWaalsContact C-N 3.28Å; V386-H388 PolarHBondContact O-N 2.67Å; H388-S390 PolarHBondContact O-N 2.92Å; H388-I391 VanDerWaalsContact O-CB 3.26Å; H388-I391 WeakPolarHBondContact O-CB 3.44Å; H388-I391 WeakPolarHBondContact O-CG1 3.48Å; H388-I391 PolarHBondContact O-N 2.78Å; H388-H392 AromaticContact CD2-NE2 3.75Å; H388-H392 AromaticContact CE1-NE2 3.51Å; H388-H392 AromaticContact NE2-CD2 3.76Å; H388-H392 AromaticContact NE2-NE2 2.98Å; H388-H392 PolarHBondContact NE2-NE2 3.36Å
389Q80.9Confident66.9Low60 Ų6092.6 Ų92.628%0.2846%0.46SS..Hα-helixtrans-63.3-29.5176.2-77.6172.6-33.800111.9L385 V386 I391 H392 T393L385-Q389 HydrophobicContact CD1-CG 3.91Å; L385-Q389 HydrophobicContact CG-CG 4.32Å; L385-Q389 WeakPolarHBondContact O-CB 3.48Å; L385-Q389 VanDerWaalsContact O-CG 3.31Å; L385-Q389 WeakPolarHBondContact O-CG 3.17Å; L385-Q389 PolarHBondContact O-N 3.19Å; V386-Q389 PolarHBondContact O-N 3.12Å; Q389-I391 PolarHBondContact O-N 3.43Å; Q389-H392 PolarHBondContact O-N 3.06Å; Q389-T393 PolarHBondContact O-N 3.45Å; Q389-T393 PolarHBondContact O-OG1 3.46Å
390S80Confident64.9Low32 Ų3298.8 Ų98.822%0.22450%0.501CS..THydrogen-bonded Turntrans-70.1-2.3171.877.10000114.4V386 Q387 H388 T393V386-S390 PolarHBondContact O-N 3.09Å; Q387-S390 PolarHBondContact O-OG 3.39Å; H388-S390 PolarHBondContact O-N 2.92Å; S390-T393 CarbonylContact C-O 3.56Å; S390-T393 WeakPolarHBondContact CA-OG1 3.37Å
391I79.8Confident64.7Low122 Ų122101.8 Ų101.863%0.62651%0.512SS*.THydrogen-bonded Turntrans-87.5-27.8169.4-54.7173.6000109.9H388 Q389H388-I391 VanDerWaalsContact O-CB 3.26Å; H388-I391 WeakPolarHBondContact O-CB 3.44Å; H388-I391 WeakPolarHBondContact O-CG1 3.48Å; H388-I391 PolarHBondContact O-N 2.78Å; Q389-I391 PolarHBondContact O-N 3.43Å
392H78.1Confident64.4Low62 Ų62106.9 Ų106.929%0.28754%0.538SS..SBendtrans-89.5-7.1178.6-62.3-67000113.8C372 K374 C375 H388 Q389C372-H392 VanDerWaalsContact SG-CD2 3.55Å; C372-H392 PolarHBondContact SG-NE2 2.8Å; K374-H392 HydrophobicContact CB-CB 4.47Å; K374-H392 HydrophobicContact CD-CB 3.36Å; K374-H392 PolarHBondContact NZ-O 2.73Å; C375-H392 PolarHBondContact SG-NE2 3.27Å; H388-H392 AromaticContact CD2-NE2 3.75Å; H388-H392 AromaticContact CE1-NE2 3.51Å; H388-H392 AromaticContact NE2-CD2 3.76Å; H388-H392 AromaticContact NE2-NE2 2.98Å; H388-H392 PolarHBondContact NE2-NE2 3.36Å; Q389-H392 PolarHBondContact O-N 3.06Å
393T69.4Low63.7Low63 Ų63106.7 Ų106.739%0.38754%0.541SS..SBendtrans-117.1114.2168.252.10000103.5Q389 S390 E395Q389-T393 PolarHBondContact O-N 3.45Å; Q389-T393 PolarHBondContact O-OG1 3.46Å; S390-T393 CarbonylContact C-O 3.56Å; S390-T393 WeakPolarHBondContact CA-OG1 3.37Å; T393-E395 PolarHBondContact O-N 3.49Å
394E52.8Low62.9Low203 Ų203108.3 Ų108.395%0.94954%0.54SS*.  trans-67.837.5-180-64.6-175.8159.200113.2
395E49.4Very low62Low150 Ų150109.6 Ų109.670%0.70155%0.549SS*.  trans-103.3107.8171.4-66.6-170168.400108.1T393T393-E395 PolarHBondContact O-N 3.49Å
396K37.8Very low60.8Low193 Ų193116.2 Ų116.284%0.83958%0.582SS**  trans-40.7128.7167.4-87.4176.7172.4175.90109.7F398K396-F398 PolarHBondContact O-N 3.29Å
397P40.2Very low59.4Low89 Ų89119.6 Ų119.658%0.57859%0.594SS**  trans-61.5126.7168.2-14.127.4000108.5E399P397-E399 PolarHBondContact O-N 3.08Å
398F35.8Very low57.9Low197 Ų197119.4 Ų119.486%0.86460%0.596SS**  trans-43.7120.6172.5-69.9-94.1000111.2K396 V400K396-F398 PolarHBondContact O-N 3.29Å; F398-V400 PolarHBondContact O-N 3.49Å
399E36.1Very low56Low194 Ų194127.8 Ų127.891%0.90764%0.639SS**  trans-70.7103.5156.4-74.4-174.5158.800108P397P397-E399 PolarHBondContact O-N 3.08Å
400V32.2Very low53.8Low169 Ų169134 Ų134100%1.02467%0.671SS**  trans-152.50146.7-174.30000110.3Q310 F398Q310-V400 VanDerWaalsContact NE2-CG1 3.31Å; F398-V400 PolarHBondContact O-N 3.49Å

Retrieved 400 of 400 residues in 2017 ms (Link to these results)

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