A0A077YV93_TRITR Loading...

GMC oxidoreductase family protein

AlphaFold DB , UniProt , Accession A0A077YV93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 601 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
1M55.6Low73Confident175 Ų17585.8 Ų85.886%0.86249%0.492SS*.  0-50.80-84.5-163.2-83.400112.6T3 T4 L5M1-T3 PolarHBondContact O-N 2.63Å; M1-T4 PolarHBondContact O-N 3.4Å; M1-L5 PolarHBondContact O-N 3.22Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2L62.6Low73.8Confident133 Ų13384.6 Ų84.670%0.69647%0.474SS*.Hα-helixtrans-60.3-44179.6-159.876.3000113T4 L5 L6L2-T4 PolarHBondContact O-N 3.11Å; L2-L5 PolarHBondContact O-N 3.47Å; L2-L6 HydrophobicContact CD2-CD1 4.47Å; L2-L6 HydrophobicContact CG-CD1 4.14Å; L2-L6 WeakPolarHBondContact O-CB 3.37Å; L2-L6 VanDerWaalsContact O-CG 3.31Å; L2-L6 WeakPolarHBondContact O-CG 3.33Å; L2-L6 PolarHBondContact O-N 3.42Å
3T66.6Low74.6Confident104 Ų10483.7 Ų83.764%0.63848%0.477SS*.Hα-helixtrans-58.4-45.9176.637.70000113.3M1 L6 T7M1-T3 PolarHBondContact O-N 2.63Å; T3-L6 PolarHBondContact O-N 2.67Å; T3-T7 WeakPolarHBondContact O-CB 2.99Å; T3-T7 PolarHBondContact O-N 3.49Å; T3-T7 PolarHBondContact O-OG1 3.31Å
4T66.8Low75.3Confident68 Ų6880.8 Ų80.842%0.41746%0.464SS..Hα-helixtrans-65.2-40.9177.7-42.40000112.1M1 L2 T7 L8M1-T4 PolarHBondContact O-N 3.4Å; L2-T4 PolarHBondContact O-N 3.11Å; T4-T7 PolarHBondContact O-N 2.01Å; T4-L8 HydrophobicContact CG2-CD1 4.48Å; T4-L8 WeakPolarHBondContact O-CG 3.48Å; T4-L8 PolarHBondContact O-N 3.35Å
5L69Low76Confident86 Ų8679.1 Ų79.145%0.4545%0.449SS..Hα-helixtrans-65.3-43.6176.9-75.4168.1000111.6M1 L2 T7 L8 A9M1-L5 PolarHBondContact O-N 3.22Å; M1-L5 VanDerWaalsContact O-N 3.14Å; L2-L5 PolarHBondContact O-N 3.47Å; L5-T7 VanDerWaalsContact C-N 3.3Å; L5-T7 PolarHBondContact O-N 2.95Å; L5-L8 PolarHBondContact O-N 3.46Å; L5-A9 VanDerWaalsContact O-CB 3.32Å; L5-A9 WeakPolarHBondContact O-CB 3.02Å; L5-A9 PolarHBondContact O-N 3.41Å
6L74.9Confident76.3Confident110 Ų11077.6 Ų77.658%0.57644%0.439SS*.Hα-helixtrans-60.9-39.5174.3-73.5165.1000111.8L2 T3 A9 S10L2-L6 HydrophobicContact CD2-CD1 4.47Å; L2-L6 HydrophobicContact CG-CD1 4.14Å; L2-L6 WeakPolarHBondContact O-CB 3.37Å; L2-L6 VanDerWaalsContact O-CG 3.31Å; L2-L6 WeakPolarHBondContact O-CG 3.33Å; L2-L6 PolarHBondContact O-N 3.42Å; T3-L6 PolarHBondContact O-N 2.67Å; L6-A9 PolarHBondContact O-N 3.31Å; L6-S10 WeakPolarHBondContact O-CB 3.41Å; L6-S10 PolarHBondContact O-N 2.98Å; L6-S10 PolarHBondContact O-OG 3.46Å
7T78.3Confident76.6Confident72 Ų7277.4 Ų77.444%0.44244%0.444SS..Hα-helixtrans-67.5-42.2177.4-51.20000111.8T3 T4 L5 S10 L11T3-T7 WeakPolarHBondContact O-CB 2.99Å; T3-T7 PolarHBondContact O-N 3.49Å; T3-T7 PolarHBondContact O-OG1 3.31Å; T4-T7 PolarHBondContact O-N 2.01Å; L5-T7 VanDerWaalsContact C-N 3.3Å; L5-T7 PolarHBondContact O-N 2.95Å; T7-S10 PolarHBondContact O-N 3.17Å; T7-S10 PolarHBondContact O-OG 3.25Å; T7-L11 HydrophobicContact CG2-CD1 4.26Å; T7-L11 WeakPolarHBondContact O-CB 3.49Å; T7-L11 VanDerWaalsContact O-CG 3.31Å; T7-L11 WeakPolarHBondContact O-CG 3.44Å; T7-L11 PolarHBondContact O-N 3.48Å
8L80.2Confident77.1Confident11 Ų1177.7 Ų77.76%0.05844%0.441CS..Hα-helixtrans-64.9-44.4175-77.2170.6000111.3T4 L5 S10 L11 Y12 K364 L367 L368 L371T4-L8 HydrophobicContact CG2-CD1 4.48Å; T4-L8 WeakPolarHBondContact O-CG 3.48Å; T4-L8 PolarHBondContact O-N 3.35Å; L5-L8 PolarHBondContact O-N 3.46Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 2.73Å; L8-L11 PolarHBondContact O-N 3.17Å; L8-Y12 WeakPolarHBondContact O-CB 3.24Å; L8-Y12 PolarHBondContact O-N 3.1Å; L8-K364 HydrophobicContact CD1-CB 4.09Å; L8-K364 HydrophobicContact CD1-CG 4.3Å; L8-L367 HydrophobicContact CD1-CD2 4.49Å; L8-L367 HydrophobicContact CD2-CB 4.47Å; L8-L367 HydrophobicContact CD2-CD2 4.21Å; L8-L367 HydrophobicContact CD2-CG 4.12Å; L8-L368 HydrophobicContact CD2-CB 3.87Å; L8-L368 HydrophobicContact CD2-CD1 3.83Å; L8-L368 HydrophobicContact CD2-CG 4.44Å; L8-L371 HydrophobicContact CD2-CD1 4.1Å
9A80.5Confident77.5Confident59 Ų5973.8 Ų73.849%0.48842%0.418SS..Hα-helixtrans-62.2-40.1177.100000112L5 L6 S13L5-A9 VanDerWaalsContact O-CB 3.32Å; L5-A9 WeakPolarHBondContact O-CB 3.02Å; L5-A9 PolarHBondContact O-N 3.41Å; L6-A9 PolarHBondContact O-N 3.31Å; A9-S13 VanDerWaalsContact O-CB 3.24Å; A9-S13 WeakPolarHBondContact O-CB 3.42Å; A9-S13 PolarHBondContact O-N 3.45Å
10S84.3Confident77.7Confident70 Ų7071.1 Ų71.149%0.4940%0.403SS..Hα-helixtrans-69.2-43.5177.168.20000112.4L6 T7 L8 Y12 S13 S14L6-S10 WeakPolarHBondContact O-CB 3.41Å; L6-S10 PolarHBondContact O-N 2.98Å; L6-S10 PolarHBondContact O-OG 3.46Å; T7-S10 PolarHBondContact O-N 3.17Å; T7-S10 PolarHBondContact O-OG 3.25Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 2.73Å; S10-Y12 VanDerWaalsContact C-N 3.33Å; S10-Y12 PolarHBondContact O-N 2.97Å; S10-S13 PolarHBondContact O-N 2.73Å; S10-S14 WeakPolarHBondContact O-CB 3.23Å; S10-S14 PolarHBondContact O-N 3.32Å
11L84.8Confident78Confident56 Ų5673 Ų7329%0.29341%0.409SS..Hα-helixtrans-60.3-43.8173.8-75.6170.7000111.6T7 L8 S14 K15 L368 L371 T372T7-L11 HydrophobicContact CG2-CD1 4.26Å; T7-L11 WeakPolarHBondContact O-CB 3.49Å; T7-L11 VanDerWaalsContact O-CG 3.31Å; T7-L11 WeakPolarHBondContact O-CG 3.44Å; T7-L11 PolarHBondContact O-N 3.48Å; L8-L11 PolarHBondContact O-N 3.17Å; L11-S14 WeakPolarHBondContact O-CB 3.21Å; L11-S14 PolarHBondContact O-N 3.45Å; L11-K15 PolarHBondContact O-N 3.13Å; L11-L368 HydrophobicContact CD1-CD1 3.9Å; L11-L371 HydrophobicContact CB-CB 4.43Å; L11-L371 HydrophobicContact CB-CD1 4.01Å; L11-T372 HydrophobicContact CD1-CG2 4.21Å
12Y82.5Confident79.2Confident71 Ų7168.9 Ų68.928%0.27839%0.388SS..Hα-helixtrans-63.5-47.8177.6-165.9-95.8000111.8L8 S10 S14 K15 L16 F80 D81 L367 L371L8-Y12 WeakPolarHBondContact O-CB 3.24Å; L8-Y12 PolarHBondContact O-N 3.1Å; S10-Y12 VanDerWaalsContact C-N 3.33Å; S10-Y12 PolarHBondContact O-N 2.97Å; Y12-S14 VanDerWaalsContact C-N 3.31Å; Y12-S14 PolarHBondContact O-N 3.26Å; Y12-K15 PolarHBondContact O-N 3.36Å; Y12-K15 VanDerWaalsContact O-N 3.13Å; Y12-L16 HydrophobicContact CD1-CD1 3.6Å; Y12-L16 HydrophobicContact CD1-CG 4.04Å; Y12-L16 HydrophobicContact CE1-CD1 3.58Å; Y12-L16 HydrophobicContact CE1-CD2 4.41Å; Y12-L16 HydrophobicContact CE1-CG 3.93Å; Y12-L16 PolarHBondContact O-N 3.4Å; Y12-F80 HydrophobicContact CD2-CE1 4.42Å; Y12-F80 HydrophobicContact CE2-CD1 4.28Å; Y12-F80 HydrophobicContact CE2-CE1 4.3Å; Y12-D81 WeakPolarHBondContact CE1-OD1 3.3Å; Y12-D81 PolarHBondContact OH-OD1 2.85Å; Y12-D81 PolarHBondContact OH-OD2 3.29Å; Y12-L367 HydrophobicContact CD2-CD1 4.48Å; Y12-L371 HydrophobicContact CD2-CD1 4.33Å; Y12-L371 HydrophobicContact CD2-CD2 4.02Å
13S83.1Confident80.1Confident73 Ų7363.1 Ų63.151%0.5136%0.357SS..Hα-helixtrans-60.8-39.3175.91800000112.3A9 S10 L16 S17A9-S13 VanDerWaalsContact O-CB 3.24Å; A9-S13 WeakPolarHBondContact O-CB 3.42Å; A9-S13 PolarHBondContact O-N 3.45Å; S10-S13 PolarHBondContact O-N 2.73Å; S13-L16 PolarHBondContact O-N 2.77Å; S13-S17 PolarHBondContact O-N 2.74Å; S13-S17 VanDerWaalsContact O-N 3.13Å; S13-S17 PolarHBondContact O-OG 3.05Å
14S85.7Confident81Confident43 Ų4358.2 Ų58.230%0.30133%0.327SS..Hα-helixtrans-60-48.5171.8-172.20000111.2S10 L11 Y12 S17 Q18S10-S14 WeakPolarHBondContact O-CB 3.23Å; S10-S14 PolarHBondContact O-N 3.32Å; L11-S14 WeakPolarHBondContact O-CB 3.21Å; L11-S14 PolarHBondContact O-N 3.45Å; Y12-S14 VanDerWaalsContact C-N 3.31Å; Y12-S14 PolarHBondContact O-N 3.26Å; S14-S17 PolarHBondContact O-N 2.62Å; S14-S17 PolarHBondContact O-OG 2.98Å; S14-Q18 WeakPolarHBondContact O-CB 3.45Å; S14-Q18 WeakPolarHBondContact O-CG 3.4Å; S14-Q18 PolarHBondContact O-N 2.92Å; S14-Q18 PolarHBondContact OG-NE2 2.72Å; S14-Q18 PolarHBondContact OG-OE1 2.81Å
15K85.1Confident81.4Confident55 Ų5558.1 Ų58.124%0.23933%0.328CS..Hα-helixtrans-62.9-43178.7-78-63.5-175.7-170.30113L11 Y12 S17 Q18 Y19 E22 F80 L371L11-K15 PolarHBondContact O-N 3.13Å; Y12-K15 PolarHBondContact O-N 3.36Å; Y12-K15 VanDerWaalsContact O-N 3.13Å; K15-S17 VanDerWaalsContact C-N 3.3Å; K15-S17 PolarHBondContact O-N 3.36Å; K15-Q18 PolarHBondContact O-N 2.85Å; K15-Y19 WeakPolarHBondContact O-CB 3.33Å; K15-Y19 PolarHBondContact O-N 2.76Å; K15-E22 IonicContact NZ-OE2 3.45Å; K15-F80 HydrophobicContact CB-CD1 3.75Å; K15-F80 HydrophobicContact CB-CD2 3.86Å; K15-F80 HydrophobicContact CB-CE1 3.79Å; K15-F80 HydrophobicContact CB-CE2 3.9Å; K15-F80 HydrophobicContact CB-CG 3.78Å; K15-F80 HydrophobicContact CB-CZ 3.85Å; K15-F80 HydrophobicContact CD-CD2 4.44Å; K15-F80 HydrophobicContact CD-CE2 3.99Å; K15-F80 HydrophobicContact CD-CZ 4.31Å; K15-F80 HydrophobicContact CG-CE1 4.29Å; K15-F80 HydrophobicContact CG-CE2 4.08Å; K15-F80 HydrophobicContact CG-CZ 3.95Å; K15-L371 HydrophobicContact CB-CD2 4.45Å; K15-L371 HydrophobicContact CG-CD2 4.09Å
16L81.2Confident81.8Confident56 Ų5655 Ų5529%0.29332%0.316SS..Hα-helixtrans-52.7-47.2173.2-83.4171.7000112.2Y12 S13 D79 F80 D81Y12-L16 HydrophobicContact CD1-CD1 3.6Å; Y12-L16 HydrophobicContact CD1-CG 4.04Å; Y12-L16 HydrophobicContact CE1-CD1 3.58Å; Y12-L16 HydrophobicContact CE1-CD2 4.41Å; Y12-L16 HydrophobicContact CE1-CG 3.93Å; Y12-L16 PolarHBondContact O-N 3.4Å; S13-L16 PolarHBondContact O-N 2.77Å; L16-D79 HydrophobicContact CD2-CB 4.42Å; L16-F80 HydrophobicContact CD2-CB 4.09Å; L16-F80 HydrophobicContact CG-CB 4.42Å; L16-D81 VanDerWaalsContact CD2-OD1 3.26Å; L16-D81 WeakPolarHBondContact CD2-OD1 3.24Å
17S81.6Confident82Confident73 Ų7350.8 Ų50.851%0.5129%0.294SS..Hα-helixtrans-75.8-33.6-177.663.20000114.2S13 S14 K15S13-S17 PolarHBondContact O-N 2.74Å; S13-S17 VanDerWaalsContact O-N 3.13Å; S13-S17 PolarHBondContact O-OG 3.05Å; S14-S17 PolarHBondContact O-N 2.62Å; S14-S17 PolarHBondContact O-OG 2.98Å; K15-S17 VanDerWaalsContact C-N 3.3Å; K15-S17 PolarHBondContact O-N 3.36Å
18Q84.5Confident81.6Confident84 Ų8448.9 Ų48.939%0.39328%0.282SS..Hα-helixtrans-88.1-30.6-174.5-70.7171.3-14.700113S14 K15 H21 E22S14-Q18 WeakPolarHBondContact O-CB 3.45Å; S14-Q18 WeakPolarHBondContact O-CG 3.4Å; S14-Q18 PolarHBondContact O-N 2.92Å; S14-Q18 PolarHBondContact OG-NE2 2.72Å; S14-Q18 PolarHBondContact OG-OE1 2.81Å; K15-Q18 PolarHBondContact O-N 2.85Å; Q18-H21 PolarHBondContact O-N 2.63Å; Q18-E22 HydrophobicContact CB-CG 4.39Å; Q18-E22 PolarHBondContact O-N 2.87Å
19Y84.9Confident81Confident4 Ų453.1 Ų53.12%0.01631%0.305CS..Hα-helixtrans-54.9-47.4-169.5173.6-99.6000114.6K15 H21 E22 M23 P78 F80 A83 T238K15-Y19 WeakPolarHBondContact O-CB 3.33Å; K15-Y19 PolarHBondContact O-N 2.76Å; Y19-H21 VanDerWaalsContact C-N 3.27Å; Y19-H21 PolarHBondContact O-N 2.78Å; Y19-E22 PolarHBondContact O-N 3.02Å; Y19-M23 HydrophobicContact CD2-CG 3.7Å; Y19-M23 HydrophobicContact CE1-CG 4.42Å; Y19-M23 HydrophobicContact CE2-CB 4.44Å; Y19-M23 HydrophobicContact CE2-CE 4.48Å; Y19-M23 HydrophobicContact CE2-CG 3.29Å; Y19-M23 HydrophobicContact CE2-SD 4.17Å; Y19-M23 HydrophobicContact CG-CG 4.41Å; Y19-M23 WeakPolarHBondContact O-CG 3.25Å; Y19-M23 PolarHBondContact O-N 2.91Å; Y19-P78 WeakPolarHBondContact CD1-O 3.27Å; Y19-P78 HydrophobicContact CE1-CB 4.27Å; Y19-P78 HydrophobicContact CE1-CG 3.99Å; Y19-F80 HydrophobicContact CD1-CB 4.42Å; Y19-F80 AromaticContact CD2-CD2 3.87Å; Y19-F80 HydrophobicContact CD2-CD2 3.87Å; Y19-F80 HydrophobicContact CG-CB 4.13Å; Y19-F80 AromaticContact CG-CD2 3.99Å; Y19-F80 HydrophobicContact CG-CD2 3.99Å; Y19-A83 HydrophobicContact CD1-CB 4.28Å; Y19-A83 HydrophobicContact CD2-CB 4.06Å; Y19-A83 HydrophobicContact CE1-CB 3.64Å; Y19-A83 HydrophobicContact CE2-CB 3.38Å; Y19-A83 HydrophobicContact CG-CB 4.46Å; Y19-A83 VanDerWaalsContact OH-CB 3.26Å; Y19-A83 WeakPolarHBondContact OH-CB 3.24Å; Y19-T238 HydrophobicContact CE2-CG2 3.92Å
20P81.8Confident80.3Confident18 Ų1855.1 Ų55.112%0.11731%0.307CS..Hα-helixtrans-56.1-42.4175.9-26.134.4000112.7F24 T28 P77P20-F24 WeakPolarHBondContact O-CA 3.13Å; P20-F24 WeakPolarHBondContact O-CB 3.43Å; P20-F24 WeakPolarHBondContact O-CD2 3.45Å; P20-F24 PolarHBondContact O-N 2.98Å; P20-T28 HydrophobicContact CB-CG2 3.96Å; P20-P77 HydrophobicContact CB-CB 3.95Å
21H83.7Confident79.9Confident111 Ų11153.4 Ų53.451%0.51429%0.294SS..Hα-helixtrans-72.8-36.1-178.8-63.5-65.1000112.4Q18 Y19 P25 T28Q18-H21 PolarHBondContact O-N 2.63Å; Y19-H21 VanDerWaalsContact C-N 3.27Å; Y19-H21 PolarHBondContact O-N 2.78Å; H21-P25 VanDerWaalsContact O-CA 3.27Å; H21-P25 WeakPolarHBondContact O-CA 3.38Å; H21-P25 WeakPolarHBondContact O-CB 3.44Å; H21-P25 WeakPolarHBondContact O-CD 3.39Å; H21-T28 WeakPolarHBondContact ND1-CB 3.44Å; H21-T28 PolarHBondContact ND1-OG1 2.85Å
22E82Confident79.5Confident90 Ų9052.4 Ų52.442%0.42129%0.288SS..Hα-helixtrans-66.8-39.7176.6-72.8-178.8176.700112K15 Q18 Y19K15-E22 IonicContact NZ-OE2 3.45Å; Q18-E22 HydrophobicContact CB-CG 4.39Å; Q18-E22 PolarHBondContact O-N 2.87Å; Y19-E22 PolarHBondContact O-N 3.02Å
23M81.4Confident79.3Confident12 Ų1258.7 Ų58.76%0.05931%0.311CS..Hα-helixtrans-91.3-23.9-174.6-62.4-59.1-75.500113.6Y19 Y235 A244 S248Y19-M23 HydrophobicContact CD2-CG 3.7Å; Y19-M23 HydrophobicContact CE1-CG 4.42Å; Y19-M23 HydrophobicContact CE2-CB 4.44Å; Y19-M23 HydrophobicContact CE2-CE 4.48Å; Y19-M23 HydrophobicContact CE2-CG 3.29Å; Y19-M23 HydrophobicContact CE2-SD 4.17Å; Y19-M23 HydrophobicContact CG-CG 4.41Å; Y19-M23 WeakPolarHBondContact O-CG 3.25Å; Y19-M23 PolarHBondContact O-N 2.91Å; M23-Y235 HydrophobicContact CE-CD1 3.55Å; M23-Y235 HydrophobicContact CE-CE1 3.91Å; M23-A244 HydrophobicContact CB-CB 4.38Å; M23-A244 HydrophobicContact CE-CB 3.77Å; M23-S248 WeakPolarHBondContact O-CB 3.21Å
24F85.6Confident79.4Confident0 Ų061.6 Ų61.60%031%0.314CS..  trans-13750.8-175-47.5-84.9000113.1P20 G26 I27 T28 P77 P78 L124 A243 A244P20-F24 WeakPolarHBondContact O-CA 3.13Å; P20-F24 WeakPolarHBondContact O-CB 3.43Å; P20-F24 WeakPolarHBondContact O-CD2 3.45Å; P20-F24 PolarHBondContact O-N 2.98Å; F24-G26 VanDerWaalsContact C-N 3.29Å; F24-G26 PolarHBondContact O-N 3.31Å; F24-G26 VanDerWaalsContact O-N 3.09Å; F24-I27 HydrophobicContact CB-CB 4.13Å; F24-I27 HydrophobicContact CB-CD1 4.4Å; F24-I27 HydrophobicContact CD1-CD1 4.22Å; F24-I27 PolarHBondContact O-N 3.09Å; F24-T28 HydrophobicContact CB-CG2 4.4Å; F24-T28 PolarHBondContact O-N 3.07Å; F24-T28 VanDerWaalsContact O-N 3.15Å; F24-T28 PolarHBondContact O-OG1 3.19Å; F24-P77 HydrophobicContact CD2-CB 4.42Å; F24-P78 VanDerWaalsContact CE2-CD 3.47Å; F24-P78 HydrophobicContact CE2-CG 3.49Å; F24-P78 VanDerWaalsContact CE2-CG 3.49Å; F24-P78 HydrophobicContact CZ-CG 3.71Å; F24-L124 HydrophobicContact CB-CD2 4.5Å; F24-L124 HydrophobicContact CD1-CD2 3.36Å; F24-L124 HydrophobicContact CD1-CG 4.4Å; F24-L124 HydrophobicContact CE1-CD2 3.5Å; F24-L124 VanDerWaalsContact CE1-CD2 3.5Å; F24-L124 HydrophobicContact CE1-CG 4.09Å; F24-L124 HydrophobicContact CG-CD2 3.89Å; F24-L124 HydrophobicContact CZ-CD2 4.19Å; F24-A243 HydrophobicContact CE1-CB 3.99Å; F24-A244 HydrophobicContact CD1-CB 4.46Å; F24-A244 HydrophobicContact CE1-CB 3.69Å; F24-A244 HydrophobicContact CZ-CB 3.77Å
25P75.2Confident79.7Confident67 Ų6759.6 Ų59.644%0.43530%0.301SS..THydrogen-bonded Turntrans-55.1-37.6-167.320.1-32.7000114.3H21 T28H21-P25 VanDerWaalsContact O-CA 3.27Å; H21-P25 WeakPolarHBondContact O-CA 3.38Å; H21-P25 WeakPolarHBondContact O-CB 3.44Å; H21-P25 WeakPolarHBondContact O-CD 3.39Å; P25-T28 PolarHBondContact O-OG1 2.81Å
26G75.6Confident80Confident20 Ų2062.3 Ų62.321%0.20632%0.317CS..THydrogen-bonded Turntrans-90.9-4.6179.500000115.9F24 E250F24-G26 VanDerWaalsContact C-N 3.29Å; F24-G26 PolarHBondContact O-N 3.31Å; F24-G26 VanDerWaalsContact O-N 3.09Å; G26-E250 VanDerWaalsContact CA-OE1 3.3Å; G26-E250 WeakPolarHBondContact CA-OE1 3.08Å
27I80.4Confident80.5Confident21 Ų2165.2 Ų65.211%0.10833%0.333CS..THydrogen-bonded Turntrans-100-30.6179.9-56.1174.2000110.4F24 D29 L124 L247 V256F24-I27 HydrophobicContact CB-CB 4.13Å; F24-I27 HydrophobicContact CB-CD1 4.4Å; F24-I27 HydrophobicContact CD1-CD1 4.22Å; F24-I27 PolarHBondContact O-N 3.09Å; I27-D29 PolarHBondContact O-N 2.91Å; I27-L124 HydrophobicContact CD1-CD2 3.9Å; I27-L124 HydrophobicContact CG2-CD2 4.09Å; I27-L247 HydrophobicContact CD1-CB 4.13Å; I27-V256 HydrophobicContact CD1-CB 4.08Å; I27-V256 HydrophobicContact CD1-CG1 4.09Å; I27-V256 HydrophobicContact CD1-CG2 4.18Å; I27-V256 HydrophobicContact CG1-CB 4.19Å; I27-V256 HydrophobicContact CG2-CB 4.37Å; I27-V256 HydrophobicContact CG2-CG1 4.16Å
28T69.2Low81Confident32 Ų3262.9 Ų62.920%0.19632%0.315CS..SBendtrans-71.4-11.3176.652.90000113.9P20 H21 F24 P25 P77P20-T28 HydrophobicContact CB-CG2 3.96Å; H21-T28 WeakPolarHBondContact ND1-CB 3.44Å; H21-T28 PolarHBondContact ND1-OG1 2.85Å; F24-T28 HydrophobicContact CB-CG2 4.4Å; F24-T28 PolarHBondContact O-N 3.07Å; F24-T28 VanDerWaalsContact O-N 3.15Å; F24-T28 PolarHBondContact O-OG1 3.19Å; P25-T28 PolarHBondContact O-OG1 2.81Å; T28-P77 HydrophobicContact CG2-CG 4.09Å
29D68Low81.6Confident100 Ų10059.5 Ų59.554%0.53530%0.299SS..SBendtrans-62.2151.2172.8-75.3-17.5000110.7I27 V31I27-D29 PolarHBondContact O-N 2.91Å; D29-V31 HydrophobicContact CB-CG2 4.45Å; D29-V31 PolarHBondContact O-N 3.5Å
30N66.2Low82Confident101 Ų10163.9 Ų63.954%0.5433%0.33SS..  trans-72.452.9-175.2-104.2-42.4000112.8Q32 R33N30-Q32 PolarHBondContact O-N 3.09Å; N30-Q32 VanDerWaalsContact O-N 3.16Å; N30-R33 HydrophobicContact CB-CG 4.41Å; N30-R33 PolarHBondContact O-N 2.63Å; N30-R33 VanDerWaalsContact O-N 3.09Å
31V75.8Confident82.6Confident35 Ų3564.5 Ų64.521%0.21234%0.337CS..G310 helixtrans-56.8-27.7175.2-173.20000110.6D29 R33 K34 I38 I257D29-V31 HydrophobicContact CB-CG2 4.45Å; D29-V31 PolarHBondContact O-N 3.5Å; V31-R33 PolarHBondContact O-N 2.87Å; V31-R33 VanDerWaalsContact O-N 3.16Å; V31-K34 PolarHBondContact O-N 2.72Å; V31-I38 HydrophobicContact CG1-CD1 3.19Å; V31-I257 HydrophobicContact CB-CD1 4.23Å; V31-I257 HydrophobicContact CG1-CD1 3.29Å
32Q75.4Confident83.1Confident34 Ų3461.7 Ų61.716%0.15933%0.328CS..G310 helixtrans-57.2-30176.3-146.873.2-500113.9N30 K34 L35 D281 L283N30-Q32 PolarHBondContact O-N 3.09Å; N30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-K34 PolarHBondContact O-N 3.33Å; Q32-L35 HydrophobicContact CG-CD1 4.11Å; Q32-L35 HydrophobicContact CG-CG 4.42Å; Q32-L35 WeakPolarHBondContact O-CG 3.43Å; Q32-D281 PolarHBondContact NE2-OD1 3.29Å; Q32-D281 PolarHBondContact NE2-OD2 3.07Å; Q32-L283 HydrophobicContact CG-CD1 4.1Å
33R77.9Confident83.9Confident203 Ų20357.4 Ų57.477%0.76631%0.308SS*.G310 helixtrans-73.4-9.6177.5-63.9-175.1-173.6164.81.2113.3N30 V31N30-R33 HydrophobicContact CB-CG 4.41Å; N30-R33 PolarHBondContact O-N 2.63Å; N30-R33 VanDerWaalsContact O-N 3.09Å; V31-R33 PolarHBondContact O-N 2.87Å; V31-R33 VanDerWaalsContact O-N 3.16Å
34K86.7Confident84.6Confident134 Ų13457.5 Ų57.558%0.58331%0.309SS*.G310 helixtrans-117.716.1-176.1-59.7-178.2179.51780112.2V31 Q32 D36 D37 I38V31-K34 PolarHBondContact O-N 2.72Å; Q32-K34 PolarHBondContact O-N 3.33Å; K34-D36 VanDerWaalsContact C-N 3.29Å; K34-D36 PolarHBondContact O-N 2.67Å; K34-D37 PolarHBondContact O-N 3.32Å; K34-I38 HydrophobicContact CB-CD1 4.03Å; K34-I38 HydrophobicContact CB-CG1 4.37Å; K34-I38 WeakPolarHBondContact O-CB 3.4Å; K34-I38 WeakPolarHBondContact O-CD1 3.49Å; K34-I38 WeakPolarHBondContact O-CG1 3.43Å; K34-I38 PolarHBondContact O-N 2.68Å
35L91.4Very high85.2Confident2 Ų257.5 Ų57.51%0.0131%0.309CS..Hα-helixtrans-58.8-40.2-177.9-70.6-172.6000112.7Q32 D37 I38 F39 I257 D281 Y288Q32-L35 HydrophobicContact CG-CD1 4.11Å; Q32-L35 HydrophobicContact CG-CG 4.42Å; Q32-L35 WeakPolarHBondContact O-CG 3.43Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.21Å; L35-I38 PolarHBondContact O-N 2.57Å; L35-F39 HydrophobicContact CB-CD2 4.13Å; L35-F39 HydrophobicContact CB-CE2 4.1Å; L35-F39 HydrophobicContact CD1-CE2 4.21Å; L35-F39 HydrophobicContact CD2-CE2 3.87Å; L35-F39 HydrophobicContact CD2-CZ 3.94Å; L35-F39 HydrophobicContact CG-CE2 4.27Å; L35-F39 VanDerWaalsContact O-CB 3.31Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 WeakPolarHBondContact O-CD2 3.44Å; L35-F39 WeakPolarHBondContact O-CG 2.96Å; L35-F39 PolarHBondContact O-N 3.46Å; L35-I257 HydrophobicContact CD2-CD1 3.92Å; L35-I257 HydrophobicContact CD2-CG1 4.32Å; L35-I257 HydrophobicContact CD2-CG2 3.79Å; L35-D281 HydrophobicContact CD1-CB 4.08Å; L35-Y288 HydrophobicContact CB-CE1 4.41Å; L35-Y288 HydrophobicContact CB-CE2 4.17Å; L35-Y288 HydrophobicContact CD1-CD2 4.42Å; L35-Y288 HydrophobicContact CD1-CE2 3.79Å
36D91.4Very high86.3Confident111 Ų11154.3 Ų54.359%0.59429%0.289SS*.Hα-helixtrans-56.9-47.5177.2-63.1-8000110.8K34 S40 Y288K34-D36 VanDerWaalsContact C-N 3.29Å; K34-D36 PolarHBondContact O-N 2.67Å; D36-S40 WeakPolarHBondContact O-CB 3.38Å; D36-S40 PolarHBondContact O-N 2.9Å; D36-Y288 WeakPolarHBondContact OD1-CE1 3.32Å; D36-Y288 PolarHBondContact OD1-OH 3.11Å
37D92.4Very high87.4Confident117 Ų11753.4 Ų53.463%0.62628%0.279SS*.Hα-helixtrans-66.8-43.9177.8-65.2-27.2000111.9K34 L35 S40K34-D37 PolarHBondContact O-N 3.32Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.21Å; D37-S40 WeakPolarHBondContact O-CB 3.5Å; D37-S40 PolarHBondContact O-N 3.37Å; D37-S40 PolarHBondContact O-OG 3.16Å
38I92.6Very high88.3Confident24 Ų2452.8 Ų52.812%0.12328%0.276CS..Hα-helixtrans-65.3-44.2-177.2-70.6166.6000110.8V31 K34 L35 F43 V255 I257V31-I38 HydrophobicContact CG1-CD1 3.19Å; K34-I38 HydrophobicContact CB-CD1 4.03Å; K34-I38 HydrophobicContact CB-CG1 4.37Å; K34-I38 WeakPolarHBondContact O-CB 3.4Å; K34-I38 WeakPolarHBondContact O-CD1 3.49Å; K34-I38 WeakPolarHBondContact O-CG1 3.43Å; K34-I38 PolarHBondContact O-N 2.68Å; L35-I38 PolarHBondContact O-N 2.57Å; I38-F43 HydrophobicContact CG2-CE2 4.36Å; I38-F43 HydrophobicContact CG2-CZ 3.79Å; I38-V255 HydrophobicContact CG2-CG1 4.08Å; I38-I257 HydrophobicContact CD1-CD1 4.24Å
39F95.3Very high89.7Confident14 Ų1451.7 Ų51.76%0.06127%0.271CS..Hα-helixtrans-84.8-7.1-178.1-61.9-28.6000113.8L35 A41 F43 L70 L72 I257 Y288 V290L35-F39 HydrophobicContact CB-CD2 4.13Å; L35-F39 HydrophobicContact CB-CE2 4.1Å; L35-F39 HydrophobicContact CD1-CE2 4.21Å; L35-F39 HydrophobicContact CD2-CE2 3.87Å; L35-F39 HydrophobicContact CD2-CZ 3.94Å; L35-F39 HydrophobicContact CG-CE2 4.27Å; L35-F39 VanDerWaalsContact O-CB 3.31Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 WeakPolarHBondContact O-CD2 3.44Å; L35-F39 WeakPolarHBondContact O-CG 2.96Å; L35-F39 PolarHBondContact O-N 3.46Å; F39-A41 PolarHBondContact O-N 3.08Å; F39-F43 HydrophobicContact CD1-CE2 4.15Å; F39-L70 HydrophobicContact CD1-CD2 4.38Å; F39-L70 HydrophobicContact CE1-CD1 4.2Å; F39-L70 HydrophobicContact CE1-CD2 3.74Å; F39-L72 HydrophobicContact CZ-CD2 4.31Å; F39-I257 HydrophobicContact CE1-CG1 4.46Å; F39-I257 HydrophobicContact CZ-CG1 4.38Å; F39-Y288 AromaticContact CD2-CD1 3.73Å; F39-Y288 HydrophobicContact CD2-CD1 3.73Å; F39-Y288 HydrophobicContact CD2-CD2 4.02Å; F39-Y288 HydrophobicContact CD2-CE1 4.37Å; F39-Y288 AromaticContact CD2-CG 3.51Å; F39-Y288 HydrophobicContact CD2-CG 3.51Å; F39-Y288 HydrophobicContact CE2-CD1 4.49Å; F39-Y288 AromaticContact CE2-CD2 3.97Å; F39-Y288 HydrophobicContact CE2-CD2 3.97Å; F39-Y288 AromaticContact CE2-CG 3.9Å; F39-Y288 HydrophobicContact CE2-CG 3.9Å; F39-V290 HydrophobicContact CB-CG2 4.26Å; F39-V290 HydrophobicContact CD1-CB 4.49Å; F39-V290 HydrophobicContact CD1-CG1 4.09Å; F39-V290 HydrophobicContact CD1-CG2 3.58Å; F39-V290 HydrophobicContact CD2-CG2 3.96Å; F39-V290 HydrophobicContact CE1-CG1 4.49Å; F39-V290 HydrophobicContact CE1-CG2 3.8Å; F39-V290 HydrophobicContact CE2-CG2 4.13Å; F39-V290 HydrophobicContact CG-CG2 3.68Å; F39-V290 HydrophobicContact CZ-CG2 4.05Å
40S93.5Very high91.1Very high95 Ų9546.9 Ų46.966%0.66425%0.245SC*.THydrogen-bonded Turntrans-60.4-29.3173.972.50000113.1D36 D37D36-S40 WeakPolarHBondContact O-CB 3.38Å; D36-S40 PolarHBondContact O-N 2.9Å; D37-S40 WeakPolarHBondContact O-CB 3.5Å; D37-S40 PolarHBondContact O-N 3.37Å; D37-S40 PolarHBondContact O-OG 3.16Å
41A94.1Very high92.5Very high32 Ų3242.9 Ų42.926%0.26423%0.228SC..SBendtrans-115.1142.6-176.900000111.9F39F39-A41 PolarHBondContact O-N 3.08Å
42P95.8Very high93.3Very high51 Ų5142.7 Ų42.733%0.33122%0.224SC..  trans-65.6149.9-179.217.1-21.8000112.8S291 R293P42-S291 WeakPolarHBondContact CA-O 3.39Å; P42-R293 HydrophobicContact CB-CG 4.02Å; P42-R293 HydrophobicContact CG-CG 4.45Å; P42-R293 PolarHBondContact O-NH1 3.15Å
43F97.7Very high94.3Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-95.7154.8167.6-68.8-89.1000110.5I38 F39 V46 R68 L70 V255 V290 S291 V292 R293I38-F43 HydrophobicContact CG2-CE2 4.36Å; I38-F43 HydrophobicContact CG2-CZ 3.79Å; F39-F43 HydrophobicContact CD1-CE2 4.15Å; F43-V46 HydrophobicContact CB-CG2 4.01Å; F43-R68 HydrophobicContact CD1-CB 4.21Å; F43-R68 HydrophobicContact CD1-CG 4.13Å; F43-R68 HydrophobicContact CE1-CG 4.36Å; F43-L70 HydrophobicContact CB-CB 4.39Å; F43-L70 HydrophobicContact CD1-CB 3.6Å; F43-L70 HydrophobicContact CD2-CB 3.99Å; F43-L70 HydrophobicContact CD2-CD2 3.95Å; F43-L70 HydrophobicContact CE1-CB 3.76Å; F43-L70 HydrophobicContact CE1-CD1 4.43Å; F43-L70 HydrophobicContact CE2-CB 4.16Å; F43-L70 HydrophobicContact CE2-CD2 3.85Å; F43-L70 HydrophobicContact CE2-CG 4.41Å; F43-L70 HydrophobicContact CG-CB 3.71Å; F43-L70 HydrophobicContact CG-CD2 4.5Å; F43-L70 HydrophobicContact CZ-CB 4.03Å; F43-L70 HydrophobicContact CZ-CD1 4.14Å; F43-L70 HydrophobicContact CZ-CD2 4.29Å; F43-L70 HydrophobicContact CZ-CG 4.39Å; F43-V255 HydrophobicContact CE1-CB 4.16Å; F43-V255 HydrophobicContact CE1-CG2 3.97Å; F43-V255 HydrophobicContact CZ-CG2 4.43Å; F43-V290 HydrophobicContact CD2-CG1 3.85Å; F43-V290 HydrophobicContact CE2-CG1 4.17Å; F43-S291 PolarHBondContact N-O 2.9Å; F43-V292 CarbonylContact O-C 3.5Å; F43-V292 WeakPolarHBondContact O-CA 3.45Å; F43-R293 PolarHBondContact O-N 2.9Å
44D97.2Very high95.2Very high15 Ų1531.6 Ų31.68%0.0818%0.181CC..EExtended strand (participates in β ladder)trans-72.2-48.7169.6-67.6-60.4000110Q67 R68 V292 R293 K294 E295D44-Q67 HydrophobicContact CB-CB 4.22Å; D44-Q67 WeakPolarHBondContact OD2-CA 3.43Å; D44-R68 PolarHBondContact N-O 3.38Å; D44-R68 PolarHBondContact OD2-N 3.18Å; D44-V292 WeakPolarHBondContact O-CG1 3.37Å; D44-R293 IonicContact OD1-CZ 3.67Å; D44-R293 VanDerWaalsContact OD1-CZ 3.27Å; D44-R293 IonicContact OD1-NE 2.87Å; D44-R293 PolarHBondContact OD1-NE 3.01Å; D44-R293 IonicContact OD1-NH2 2.72Å; D44-R293 PolarHBondContact OD1-NH2 3.33Å; D44-R293 IonicContact OD2-CZ 3.53Å; D44-R293 IonicContact OD2-NE 2.72Å; D44-R293 IonicContact OD2-NH2 3.54Å; D44-R293 PolarHBondContact OD2-NH2 2.93Å; D44-K294 HydrophobicContact CB-CD 4.22Å; D44-K294 HydrophobicContact CB-CG 4.4Å; D44-K294 WeakPolarHBondContact O-CA 3.42Å; D44-K294 VanDerWaalsContact O-CB 3.24Å; D44-K294 WeakPolarHBondContact O-CB 3.08Å; D44-K294 PolarHBondContact O-N 2.96Å; D44-E295 PolarHBondContact O-N 2.97Å
45F98.1Very high95.6Very high0 Ų025.2 Ų25.20%015%0.153CC..EExtended strand (participates in β ladder)trans-128.3139.8178.2-59.8-86.8000110.8L61 Q67 R68 I69 L70 K294 E295 I297 I593 H597 T599F45-L61 HydrophobicContact CB-CD1 4.46Å; F45-L61 HydrophobicContact CD1-CD1 4.32Å; F45-L61 HydrophobicContact CD2-CD1 4.48Å; F45-L61 HydrophobicContact CG-CD1 4.17Å; F45-Q67 HydrophobicContact CD2-CB 4.3Å; F45-Q67 HydrophobicContact CE2-CB 4.32Å; F45-Q67 HydrophobicContact CE2-CG 4.18Å; F45-R68 PolarHBondContact N-O 3.42Å; F45-I69 HydrophobicContact CB-CD1 3.77Å; F45-I69 HydrophobicContact CD2-CD1 3.48Å; F45-I69 VanDerWaalsContact CD2-CD1 3.48Å; F45-I69 HydrophobicContact CE2-CD1 4.49Å; F45-I69 HydrophobicContact CG-CD1 4.04Å; F45-I69 WeakPolarHBondContact O-CA 3.23Å; F45-L70 PolarHBondContact O-N 3.33Å; F45-K294 HydrophobicContact CD1-CB 4.26Å; F45-K294 HydrophobicContact CE1-CB 3.8Å; F45-K294 HydrophobicContact CE1-CD 4.37Å; F45-K294 HydrophobicContact CE2-CB 4.39Å; F45-K294 HydrophobicContact CE2-CD 3.68Å; F45-K294 HydrophobicContact CZ-CB 3.89Å; F45-K294 HydrophobicContact CZ-CD 3.57Å; F45-K294 HydrophobicContact CZ-CG 4.36Å; F45-E295 WeakPolarHBondContact CA-O 3.17Å; F45-E295 HydrophobicContact CD1-CB 3.95Å; F45-E295 HydrophobicContact CE1-CB 4.03Å; F45-I297 HydrophobicContact CD1-CD1 4.32Å; F45-I593 HydrophobicContact CD1-CG2 4.41Å; F45-I593 HydrophobicContact CE1-CG2 3.54Å; F45-I593 HydrophobicContact CZ-CG2 3.73Å; F45-H597 HydrophobicContact CZ-CB 4.01Å; F45-H597 AromaticContact CZ-CG 3.95Å; F45-T599 HydrophobicContact CE2-CG2 4.37Å; F45-T599 HydrophobicContact CZ-CG2 4.42Å
46V98.5Very high95.7Very high0 Ų025.3 Ų25.30%015%0.153CC..EExtended strand (participates in β ladder)trans-118.7121.7168.2179.20000108.4F43 L70 L72 V277 V290 V292 E295 I296 I297F43-V46 HydrophobicContact CB-CG2 4.01Å; V46-L70 CarbonylContact C-O 3.6Å; V46-L70 WeakPolarHBondContact CA-O 3.34Å; V46-L70 HydrophobicContact CG1-CB 4.44Å; V46-L70 HydrophobicContact CG1-CD2 4.08Å; V46-L70 HydrophobicContact CG1-CG 4.36Å; V46-L70 HydrophobicContact CG2-CB 4.13Å; V46-L70 HydrophobicContact CG2-CD2 4.09Å; V46-L72 HydrophobicContact CG1-CD1 3.75Å; V46-L72 HydrophobicContact CG1-CG 4.17Å; V46-V277 HydrophobicContact CG1-CG1 3.99Å; V46-V290 HydrophobicContact CG2-CG1 4.35Å; V46-V292 HydrophobicContact CB-CG2 4.02Å; V46-V292 HydrophobicContact CG2-CB 4.35Å; V46-V292 HydrophobicContact CG2-CG1 4.2Å; V46-V292 HydrophobicContact CG2-CG2 3.33Å; V46-E295 PolarHBondContact N-O 3.43Å; V46-I296 CarbonylContact O-C 3.39Å; V46-I296 WeakPolarHBondContact O-CA 3.04Å; V46-I297 PolarHBondContact O-N 2.81Å
47I98.7Very high95.9Very high0 Ų020 Ų200%013%0.125CC..EExtended strand (participates in β ladder)trans-104.4126.5176.4-62.3161.4000107.9L57 A58 L61 I69 L70 V71 L72 I297 A299I47-L57 HydrophobicContact CD1-CB 4.02Å; I47-A58 HydrophobicContact CD1-CB 3.59Å; I47-A58 VanDerWaalsContact CD1-N 3.34Å; I47-L61 HydrophobicContact CD1-CD1 4.4Å; I47-I69 HydrophobicContact CD1-CG2 3.95Å; I47-L70 PolarHBondContact N-O 2.93Å; I47-V71 HydrophobicContact CB-CG2 4.41Å; I47-V71 WeakPolarHBondContact O-CA 3.42Å; I47-L72 PolarHBondContact O-N 3.35Å; I47-I297 CarbonylContact C-O 3.54Å; I47-I297 WeakPolarHBondContact CA-O 3.38Å; I47-I297 HydrophobicContact CG1-CB 4.12Å; I47-I297 HydrophobicContact CG1-CD1 4.01Å; I47-A299 HydrophobicContact CG2-CB 4.34Å
48V98.8Very high96Very high8 Ų814.4 Ų14.45%0.04810%0.095CC..EExtended strand (participates in β ladder)trans-103.9116.4179.6-1760000109.2A262 I296 I297 L298 A299 A300 I308V48-A262 HydrophobicContact CB-CB 4.33Å; V48-A262 HydrophobicContact CG1-CB 3.44Å; V48-A262 VanDerWaalsContact CG1-CB 3.44Å; V48-A262 HydrophobicContact CG2-CB 3.88Å; V48-I296 HydrophobicContact CG2-CG2 4.33Å; V48-I297 PolarHBondContact N-O 2.84Å; V48-L298 HydrophobicContact CB-CD2 4.03Å; V48-L298 HydrophobicContact CG2-CD2 3.92Å; V48-A299 CarbonylContact O-C 3.42Å; V48-A299 WeakPolarHBondContact O-CA 3.46Å; V48-A299 PolarHBondContact O-N 3.41Å; V48-A300 HydrophobicContact CG1-CB 4.16Å; V48-A300 PolarHBondContact O-N 2.83Å; V48-A300 VanDerWaalsContact O-N 3.14Å; V48-I308 HydrophobicContact CG1-CD1 3.71Å
49G98.3Very high96Very high9 Ų913.9 Ų13.99%0.0939%0.092CC..  trans96.9138.3-174.500000112G54 L72G49-G54 WeakPolarHBondContact O-CA 3.2Å; G49-L72 PolarHBondContact N-O 3.28Å
50S97Very high95.8Very high0 Ų014.7 Ų14.70%09%0.094CC..  trans-113.825.8-176.869.80000113.4S55 E73 L124 G125S50-S55 PolarHBondContact O-OG 3.34Å; S50-E73 WeakPolarHBondContact CB-OE2 3.4Å; S50-E73 PolarHBondContact N-OE2 3.4Å; S50-E73 VanDerWaalsContact OG-CD 3.29Å; S50-E73 WeakPolarHBondContact OG-CG 3.28Å; S50-E73 PolarHBondContact OG-OE2 2.72Å; S50-L124 WeakPolarHBondContact OG-CA 3.43Å; S50-G125 CarbonylContact O-C 3.57Å; S50-G125 WeakPolarHBondContact O-CA 3.3Å; S50-G125 PolarHBondContact O-N 3.22Å; S50-G125 PolarHBondContact OG-N 2.94Å; S50-G125 VanDerWaalsContact OG-N 3.09Å
51G95.4Very high95.8Very high16 Ų1610.2 Ų10.217%0.1656%0.063CC..SBendtrans-67.8-167172.300000113.2S53 G54 S55G51-S53 VanDerWaalsContact C-N 3.25Å; G51-S53 PolarHBondContact O-N 3.08Å; G51-S53 VanDerWaalsContact O-N 3.14Å; G51-G54 PolarHBondContact O-N 3.14Å; G51-S55 PolarHBondContact O-N 3.01Å; G51-S55 PolarHBondContact O-OG 3.47Å
52Y93.4Very high95.7Very high32 Ų328.7 Ų8.713%0.1255%0.05CC..Hα-helixtrans-45.4-48.8177.7-79-74.4000113.2L56 L240 P242 L583Y52-L56 WeakPolarHBondContact O-CB 3.27Å; Y52-L56 PolarHBondContact O-N 3.35Å; Y52-L240 HydrophobicContact CE1-CD2 4.01Å; Y52-P242 HydrophobicContact CD1-CB 4.12Å; Y52-P242 HydrophobicContact CD1-CG 4.12Å; Y52-P242 HydrophobicContact CE1-CG 4.44Å; Y52-P242 HydrophobicContact CG-CG 4.31Å; Y52-L583 HydrophobicContact CD1-CD1 4.09Å; Y52-L583 HydrophobicContact CD1-CD2 4.02Å; Y52-L583 HydrophobicContact CD1-CG 3.9Å; Y52-L583 HydrophobicContact CE1-CD1 4.37Å
53S96Very high95.4Very high4 Ų47.9 Ų7.93%0.0285%0.048CC..Hα-helixtrans-71.1-48.6-179-49.90000113.2G51 S55 L56 L57 V565 S586G51-S53 VanDerWaalsContact C-N 3.25Å; G51-S53 PolarHBondContact O-N 3.08Å; G51-S53 VanDerWaalsContact O-N 3.14Å; S53-S55 PolarHBondContact O-N 2.73Å; S53-L56 PolarHBondContact O-N 3.29Å; S53-L57 VanDerWaalsContact O-CB 3.3Å; S53-L57 WeakPolarHBondContact O-CB 3.39Å; S53-L57 WeakPolarHBondContact O-CD1 3.37Å; S53-L57 VanDerWaalsContact O-CG 3.25Å; S53-L57 WeakPolarHBondContact O-CG 3.49Å; S53-L57 PolarHBondContact O-N 2.84Å; S53-V565 WeakPolarHBondContact CB-O 3.31Å; S53-V565 PolarHBondContact OG-O 2.77Å; S53-S586 WeakPolarHBondContact CA-OG 3.38Å; S53-S586 WeakPolarHBondContact CB-OG 3.5Å; S53-S586 PolarHBondContact OG-OG 3.49Å; S53-S586 VanDerWaalsContact OG-OG 3.08Å
54G97.4Very high94.7Very high0 Ų010.2 Ų10.20%06%0.064CC..Hα-helixtrans-62.4-45.6-174.500000112.5G49 G51 A58G49-G54 WeakPolarHBondContact O-CA 3.2Å; G51-G54 PolarHBondContact O-N 3.14Å; G54-A58 VanDerWaalsContact O-CB 3.28Å; G54-A58 WeakPolarHBondContact O-CB 3.41Å; G54-A58 PolarHBondContact O-N 3.43Å
55S95Very high94.4Very high0 Ų011.5 Ų11.50%08%0.081CC..Hα-helixtrans-64.6-45.9178.9-53.50000112.6S50 G51 S53 R59 P242 A243 Y246S50-S55 PolarHBondContact O-OG 3.34Å; G51-S55 PolarHBondContact O-N 3.01Å; G51-S55 PolarHBondContact O-OG 3.47Å; S53-S55 PolarHBondContact O-N 2.73Å; S55-R59 WeakPolarHBondContact O-CB 3.45Å; S55-R59 PolarHBondContact O-N 2.89Å; S55-R59 VanDerWaalsContact O-N 3.13Å; S55-P242 WeakPolarHBondContact CB-O 3.41Å; S55-A243 WeakPolarHBondContact OG-CA 3.45Å; S55-A243 PolarHBondContact OG-N 3.04Å; S55-Y246 WeakPolarHBondContact O-CB 3.45Å
56L93.1Very high94Very high3 Ų313.3 Ų13.32%0.0169%0.094CC..Hα-helixtrans-64.7-46.3179.8-178.4152.5000111.2Y52 S53 R59 R60 Y246 L583Y52-L56 WeakPolarHBondContact O-CB 3.27Å; Y52-L56 PolarHBondContact O-N 3.35Å; S53-L56 PolarHBondContact O-N 3.29Å; L56-R59 PolarHBondContact O-N 3.42Å; L56-R60 HydrophobicContact CD2-CG 4.01Å; L56-R60 WeakPolarHBondContact O-CG 3.34Å; L56-R60 PolarHBondContact O-N 2.84Å; L56-Y246 HydrophobicContact CB-CD2 4.27Å; L56-Y246 HydrophobicContact CB-CE2 4.18Å; L56-L583 HydrophobicContact CB-CD2 4.36Å; L56-L583 HydrophobicContact CD1-CD2 3.54Å
57L94.6Very high93.8Very high0 Ų014 Ų140%010%0.096CC..Hα-helixtrans-60.5-47.8179.6-76.8168.9000111.5I47 S53 R59 R60 L61 I297 V565 A589 A590 I593I47-L57 HydrophobicContact CD1-CB 4.02Å; S53-L57 VanDerWaalsContact O-CB 3.3Å; S53-L57 WeakPolarHBondContact O-CB 3.39Å; S53-L57 WeakPolarHBondContact O-CD1 3.37Å; S53-L57 VanDerWaalsContact O-CG 3.25Å; S53-L57 WeakPolarHBondContact O-CG 3.49Å; S53-L57 PolarHBondContact O-N 2.84Å; L57-R59 VanDerWaalsContact C-N 3.27Å; L57-R59 PolarHBondContact O-N 3.03Å; L57-R60 PolarHBondContact O-N 3.25Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 2.9Å; L57-I297 HydrophobicContact CD1-CG2 3.87Å; L57-V565 HydrophobicContact CD1-CB 3.77Å; L57-V565 HydrophobicContact CD1-CG1 3.87Å; L57-V565 HydrophobicContact CD1-CG2 4.03Å; L57-A589 HydrophobicContact CD2-CB 4.05Å; L57-A590 HydrophobicContact CD2-CB 4.03Å; L57-I593 HydrophobicContact CD2-CD1 4.19Å
58A95.4Very high93.7Very high0 Ų018.3 Ų18.30%011%0.113CC..Hα-helixtrans-56.8-45.2178.800000111.2I47 G54 A62 I69 V71 L247 L254I47-A58 HydrophobicContact CD1-CB 3.59Å; I47-A58 VanDerWaalsContact CD1-N 3.34Å; G54-A58 VanDerWaalsContact O-CB 3.28Å; G54-A58 WeakPolarHBondContact O-CB 3.41Å; G54-A58 PolarHBondContact O-N 3.43Å; A58-A62 WeakPolarHBondContact O-CB 3.45Å; A58-A62 PolarHBondContact O-N 3.3Å; A58-I69 HydrophobicContact CB-CG2 4.32Å; A58-V71 HydrophobicContact CB-CG2 3.42Å; A58-V71 VanDerWaalsContact CB-CG2 3.42Å; A58-L247 HydrophobicContact CB-CD2 3.68Å; A58-L254 HydrophobicContact CB-CD1 3.94Å
59R92.3Very high93.6Very high13 Ų1318 Ų185%0.04911%0.111CC..Hα-helixtrans-62.1-46.4176.5175.660.3179.3-161.40.6112.8S55 L56 L57 A63 L183 Y246 R251S55-R59 WeakPolarHBondContact O-CB 3.45Å; S55-R59 PolarHBondContact O-N 2.89Å; S55-R59 VanDerWaalsContact O-N 3.13Å; L56-R59 PolarHBondContact O-N 3.42Å; L57-R59 VanDerWaalsContact C-N 3.27Å; L57-R59 PolarHBondContact O-N 3.03Å; R59-A63 PolarHBondContact O-N 3.19Å; R59-L183 HydrophobicContact CG-CD1 4.3Å; R59-Y246 HydrophobicContact CB-CD1 4.32Å; R59-Y246 HydrophobicContact CB-CG 4.44Å; R59-Y246 WeakPolarHBondContact CD-O 3.27Å; R59-Y246 HydrophobicContact CG-CD1 4.14Å; R59-R251 VanDerWaalsContact NH2-NH2 3.18Å
60R91.5Very high93.6Very high30 Ų3017.5 Ų17.511%0.11311%0.106CC..Hα-helixtrans-68.5-39.3-178.6-71.5-165.469.8179.3-1.8112.1L56 L57 A63 N587 A590 D591L56-R60 HydrophobicContact CD2-CG 4.01Å; L56-R60 WeakPolarHBondContact O-CG 3.34Å; L56-R60 PolarHBondContact O-N 2.84Å; L57-R60 PolarHBondContact O-N 3.25Å; R60-A63 VanDerWaalsContact O-CB 3.23Å; R60-A63 WeakPolarHBondContact O-CB 3.49Å; R60-A63 PolarHBondContact O-N 3.4Å; R60-N587 VanDerWaalsContact NH1-CA 3.35Å; R60-N587 PolarHBondContact NH1-O 2.78Å; R60-N587 PolarHBondContact NH1-OD1 2.03Å; R60-A590 HydrophobicContact CB-CB 3.94Å; R60-A590 HydrophobicContact CG-CB 4.36Å; R60-D591 IonicContact CZ-OD1 3.03Å; R60-D591 IonicContact CZ-OD2 3.72Å; R60-D591 IonicContact NH1-OD1 2.68Å; R60-D591 IonicContact NH1-OD2 3.71Å; R60-D591 VanDerWaalsContact NH2-CG 3.32Å; R60-D591 IonicContact NH2-OD1 2.65Å; R60-D591 PolarHBondContact NH2-OD1 3.42Å; R60-D591 IonicContact NH2-OD2 2.73Å; R60-D591 PolarHBondContact NH2-OD2 3.1Å
61L92.9Very high93.6Very high1 Ų117.5 Ų17.51%0.00511%0.106CC..Hα-helixtrans-74.1-32.6178.4-64.1178.2000112.5F45 I47 L57 A63 I69 I297 I593 R594 T599F45-L61 HydrophobicContact CB-CD1 4.46Å; F45-L61 HydrophobicContact CD1-CD1 4.32Å; F45-L61 HydrophobicContact CD2-CD1 4.48Å; F45-L61 HydrophobicContact CG-CD1 4.17Å; I47-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 2.9Å; L61-A63 PolarHBondContact O-N 2.81Å; L61-I69 HydrophobicContact CB-CD1 3.81Å; L61-I69 HydrophobicContact CB-CG1 4.33Å; L61-I297 HydrophobicContact CD1-CD1 3.67Å; L61-I593 HydrophobicContact CD1-CD1 4.36Å; L61-I593 HydrophobicContact CD1-CG2 4.34Å; L61-I593 HydrophobicContact CD2-CB 4.08Å; L61-I593 HydrophobicContact CD2-CG2 3.54Å; L61-R594 HydrophobicContact CD2-CG 4.33Å; L61-T599 HydrophobicContact CD2-CG2 4.49Å
62A92.8Very high93.7Very high0 Ų016.9 Ų16.90%010%0.099CC..G310 helixtrans-75.8-6.7174.900000113.5A58 S64 G65 I69 R251 N253 L254A58-A62 WeakPolarHBondContact O-CB 3.45Å; A58-A62 PolarHBondContact O-N 3.3Å; A62-S64 VanDerWaalsContact C-N 3.35Å; A62-S64 PolarHBondContact O-N 3.37Å; A62-G65 PolarHBondContact O-N 3.02Å; A62-I69 HydrophobicContact CB-CG1 4.02Å; A62-R251 PolarHBondContact O-NH1 3.26Å; A62-N253 WeakPolarHBondContact CA-ND2 2.98Å; A62-N253 PolarHBondContact O-ND2 3.38Å; A62-N253 VanDerWaalsContact O-ND2 3.09Å; A62-L254 HydrophobicContact CB-CB 3.99Å; A62-L254 HydrophobicContact CB-CD2 4.3Å
63A88.7Confident93.9Very high35 Ų3515.9 Ų15.929%0.28910%0.096SC..G310 helixtrans-61.1-37.3-168.900000113.9R59 R60 L61 G65 R251R59-A63 PolarHBondContact O-N 3.19Å; R60-A63 VanDerWaalsContact O-CB 3.23Å; R60-A63 WeakPolarHBondContact O-CB 3.49Å; R60-A63 PolarHBondContact O-N 3.4Å; L61-A63 PolarHBondContact O-N 2.81Å; A63-G65 VanDerWaalsContact C-N 3.32Å; A63-G65 PolarHBondContact O-N 3.33Å; A63-R251 PolarHBondContact O-NH1 3.38Å
64S84Confident93.9Very high48 Ų4816.3 Ų16.334%0.33610%0.099SC..G310 helixtrans-75.5-16.4-179.561.30000114.1A62 C66 T599A62-S64 VanDerWaalsContact C-N 3.35Å; A62-S64 PolarHBondContact O-N 3.37Å; S64-C66 PolarHBondContact O-N 3.01Å; S64-C66 PolarHBondContact O-SG 3.31Å; S64-C66 VanDerWaalsContact O-SG 3.35Å; S64-C66 PolarHBondContact OG-N 3.18Å; S64-T599 WeakPolarHBondContact CB-O 3.49Å; S64-T599 PolarHBondContact OG-O 2.93Å
65G90.1Very high93.7Very high42 Ų4216.4 Ų16.443%0.43310%0.1SC..SBendtrans77.5-12.3-172.600000114.7A62 A63 N253A62-G65 PolarHBondContact O-N 3.02Å; A63-G65 VanDerWaalsContact C-N 3.32Å; A63-G65 PolarHBondContact O-N 3.33Å; G65-N253 WeakPolarHBondContact CA-ND2 3.34Å
66C91Very high93.5Very high39 Ų3916.9 Ų16.926%0.26411%0.105SC..  trans-83.6-24.2-171.1-52.40000113.9S64 C601S64-C66 PolarHBondContact O-N 3.01Å; S64-C66 PolarHBondContact O-SG 3.31Å; S64-C66 VanDerWaalsContact O-SG 3.35Å; S64-C66 PolarHBondContact OG-N 3.18Å; C66-C601 HydrophobicContact CB-CB 4.36Å; C66-C601 WeakPolarHBondContact CB-SG 3.34Å; C66-C601 WeakPolarHBondContact SG-CB 3.49Å; C66-C601 PolarHBondContact SG-N 3.15Å; C66-C601 CovalentContact SG-SG 2.01Å; C66-C601 PolarHBondContact SG-SG 3.14Å
67Q94.3Very high93.3Very high13 Ų1318.3 Ų18.36%0.06111%0.114CC..SBendtrans-104.5130.4-173.8-51.8-57.9-51.900109.7D44 F45 I69 N253 K294 T599D44-Q67 HydrophobicContact CB-CB 4.22Å; D44-Q67 WeakPolarHBondContact OD2-CA 3.43Å; F45-Q67 HydrophobicContact CD2-CB 4.3Å; F45-Q67 HydrophobicContact CE2-CB 4.32Å; F45-Q67 HydrophobicContact CE2-CG 4.18Å; Q67-I69 HydrophobicContact CB-CD1 3.74Å; Q67-I69 HydrophobicContact CB-CG1 4.48Å; Q67-I69 PolarHBondContact O-N 2.96Å; Q67-N253 WeakPolarHBondContact O-CB 3.31Å; Q67-N253 PolarHBondContact O-ND2 2.91Å; Q67-K294 VanDerWaalsContact OE1-CE 3.29Å; Q67-T599 HydrophobicContact CG-CG2 4.29Å
68R95.9Very high93Very high92 Ų9218.3 Ų18.335%0.34711%0.114SC..  trans-83.5111.8173.3-135.7-179.1178.8-139.42108.9F43 D44 F45 N253F43-R68 HydrophobicContact CD1-CB 4.21Å; F43-R68 HydrophobicContact CD1-CG 4.13Å; F43-R68 HydrophobicContact CE1-CG 4.36Å; D44-R68 PolarHBondContact N-O 3.38Å; D44-R68 PolarHBondContact OD2-N 3.18Å; F45-R68 PolarHBondContact N-O 3.42Å; R68-N253 CarbonylContact C-O 3.6Å; R68-N253 WeakPolarHBondContact CA-O 3.35Å
69I96.9Very high92.4Very high0 Ų021.4 Ų21.40%013%0.131CC..EExtended strand (participates in β ladder)trans-109.4132.6-174.8-47.2-59.3000109.3F45 I47 A58 L61 A62 Q67 N253 L254 V255F45-I69 HydrophobicContact CB-CD1 3.77Å; F45-I69 HydrophobicContact CD2-CD1 3.48Å; F45-I69 VanDerWaalsContact CD2-CD1 3.48Å; F45-I69 HydrophobicContact CE2-CD1 4.49Å; F45-I69 HydrophobicContact CG-CD1 4.04Å; F45-I69 WeakPolarHBondContact O-CA 3.23Å; I47-I69 HydrophobicContact CD1-CG2 3.95Å; A58-I69 HydrophobicContact CB-CG2 4.32Å; L61-I69 HydrophobicContact CB-CD1 3.81Å; L61-I69 HydrophobicContact CB-CG1 4.33Å; A62-I69 HydrophobicContact CB-CG1 4.02Å; Q67-I69 HydrophobicContact CB-CD1 3.74Å; Q67-I69 HydrophobicContact CB-CG1 4.48Å; Q67-I69 PolarHBondContact O-N 2.96Å; I69-N253 PolarHBondContact N-O 3.41Å; I69-L254 HydrophobicContact CB-CD1 3.81Å; I69-L254 HydrophobicContact CG2-CD1 3.77Å; I69-V255 PolarHBondContact O-N 3.28Å
70L97.4Very high91.9Very high0 Ų021.2 Ų21.20%013%0.131CC..EExtended strand (participates in β ladder)trans-112.9133.7169176.564.9000109.8F39 F43 F45 V46 I47 L72 V255 I257 V290F39-L70 HydrophobicContact CD1-CD2 4.38Å; F39-L70 HydrophobicContact CE1-CD1 4.2Å; F39-L70 HydrophobicContact CE1-CD2 3.74Å; F43-L70 HydrophobicContact CB-CB 4.39Å; F43-L70 HydrophobicContact CD1-CB 3.6Å; F43-L70 HydrophobicContact CD2-CB 3.99Å; F43-L70 HydrophobicContact CD2-CD2 3.95Å; F43-L70 HydrophobicContact CE1-CB 3.76Å; F43-L70 HydrophobicContact CE1-CD1 4.43Å; F43-L70 HydrophobicContact CE2-CB 4.16Å; F43-L70 HydrophobicContact CE2-CD2 3.85Å; F43-L70 HydrophobicContact CE2-CG 4.41Å; F43-L70 HydrophobicContact CG-CB 3.71Å; F43-L70 HydrophobicContact CG-CD2 4.5Å; F43-L70 HydrophobicContact CZ-CB 4.03Å; F43-L70 HydrophobicContact CZ-CD1 4.14Å; F43-L70 HydrophobicContact CZ-CD2 4.29Å; F43-L70 HydrophobicContact CZ-CG 4.39Å; F45-L70 PolarHBondContact O-N 3.33Å; V46-L70 CarbonylContact C-O 3.6Å; V46-L70 WeakPolarHBondContact CA-O 3.34Å; V46-L70 HydrophobicContact CG1-CB 4.44Å; V46-L70 HydrophobicContact CG1-CD2 4.08Å; V46-L70 HydrophobicContact CG1-CG 4.36Å; V46-L70 HydrophobicContact CG2-CB 4.13Å; V46-L70 HydrophobicContact CG2-CD2 4.09Å; I47-L70 PolarHBondContact N-O 2.93Å; L70-L72 HydrophobicContact CD1-CD2 4.2Å; L70-L72 HydrophobicContact CD2-CD1 4.39Å; L70-L72 HydrophobicContact CD2-CD2 3.82Å; L70-L72 HydrophobicContact CD2-CG 4.03Å; L70-L72 HydrophobicContact CG-CD2 4.02Å; L70-L72 HydrophobicContact CG-CG 4.09Å; L70-V255 CarbonylContact C-O 3.57Å; L70-V255 WeakPolarHBondContact CA-O 3.46Å; L70-V255 HydrophobicContact CD1-CB 4.14Å; L70-V255 HydrophobicContact CD1-CG1 4.07Å; L70-I257 HydrophobicContact CD1-CG1 3.66Å; L70-V290 HydrophobicContact CD2-CG1 3.75Å
71V97.9Very high91.3Very high0 Ų022.4 Ų22.40%014%0.139CC..EExtended strand (participates in β ladder)trans-110.5126166.4-177.80000108.4I47 A58 L247 L254 V255 V256 I257I47-V71 HydrophobicContact CB-CG2 4.41Å; I47-V71 WeakPolarHBondContact O-CA 3.42Å; A58-V71 HydrophobicContact CB-CG2 3.42Å; A58-V71 VanDerWaalsContact CB-CG2 3.42Å; V71-L247 HydrophobicContact CG1-CD1 4.41Å; V71-L247 HydrophobicContact CG2-CD2 4.47Å; V71-L254 HydrophobicContact CG2-CD1 4Å; V71-V255 PolarHBondContact N-O 2.99Å; V71-V256 HydrophobicContact CB-CB 4.44Å; V71-V256 HydrophobicContact CB-CG1 4.2Å; V71-V256 HydrophobicContact CB-CG2 4.15Å; V71-V256 HydrophobicContact CG1-CG1 4.36Å; V71-V256 HydrophobicContact CG2-CG2 4.35Å; V71-I257 PolarHBondContact O-N 2.68Å
72L97.8Very high90.7Very high2 Ų222.5 Ų22.51%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-106.2120.6175.5-64.5173.7000109.4F39 V46 I47 G49 L70 I257 A260 A262 V277 V279F39-L72 HydrophobicContact CZ-CD2 4.31Å; V46-L72 HydrophobicContact CG1-CD1 3.75Å; V46-L72 HydrophobicContact CG1-CG 4.17Å; I47-L72 PolarHBondContact O-N 3.35Å; G49-L72 PolarHBondContact N-O 3.28Å; L70-L72 HydrophobicContact CD1-CD2 4.2Å; L70-L72 HydrophobicContact CD2-CD1 4.39Å; L70-L72 HydrophobicContact CD2-CD2 3.82Å; L70-L72 HydrophobicContact CD2-CG 4.03Å; L70-L72 HydrophobicContact CG-CD2 4.02Å; L70-L72 HydrophobicContact CG-CG 4.09Å; L72-I257 HydrophobicContact CD2-CB 4.28Å; L72-A260 HydrophobicContact CD2-CB 3.99Å; L72-A262 HydrophobicContact CD1-CB 4.38Å; L72-V277 HydrophobicContact CD1-CG1 4.12Å; L72-V279 HydrophobicContact CD1-CG1 4.39Å; L72-V279 HydrophobicContact CD1-CG2 3.47Å; L72-V279 VanDerWaalsContact CD1-CG2 3.47Å; L72-V279 HydrophobicContact CD2-CG1 4.08Å; L72-V279 HydrophobicContact CD2-CG2 4.31Å
73E97.3Very high90.2Very high12 Ų1222.6 Ų22.66%0.05614%0.141CC..  trans-120.7128.5175.4177.450.3-117.800110S50 G75 L124 I257 C258 H259 A260S50-E73 WeakPolarHBondContact CB-OE2 3.4Å; S50-E73 PolarHBondContact N-OE2 3.4Å; S50-E73 VanDerWaalsContact OG-CD 3.29Å; S50-E73 WeakPolarHBondContact OG-CG 3.28Å; S50-E73 PolarHBondContact OG-OE2 2.72Å; E73-G75 VanDerWaalsContact C-N 3.32Å; E73-G75 PolarHBondContact OE1-N 2.88Å; E73-L124 HydrophobicContact CB-CD1 4.33Å; E73-L124 HydrophobicContact CG-CB 4.45Å; E73-L124 HydrophobicContact CG-CD1 4.33Å; E73-I257 PolarHBondContact N-O 2.83Å; E73-C258 CarbonylContact O-C 3.49Å; E73-C258 VanDerWaalsContact O-C 3.23Å; E73-C258 WeakPolarHBondContact O-CA 3.35Å; E73-H259 PolarHBondContact O-N 3.49Å; E73-A260 CarbonylContact C-O 3.59Å; E73-A260 PolarHBondContact O-N 3.03Å
74A96.2Very high90Very high12 Ų1221.3 Ų21.310%0.09913%0.129CC..SBendtrans-75.2-25.318000000112.1W97 K122 H259 E261 L282A74-W97 HydrophobicContact CB-CH2 3.96Å; A74-W97 HydrophobicContact CB-CZ2 3.62Å; A74-K122 HydrophobicContact CB-CG 4.3Å; A74-K122 VanDerWaalsContact O-CE 3.29Å; A74-K122 WeakPolarHBondContact O-CE 3.46Å; A74-H259 WeakPolarHBondContact O-CA 3.28Å; A74-E261 HydrophobicContact CB-CB 4.41Å; A74-L282 HydrophobicContact CB-CD1 4.4Å; A74-L282 WeakPolarHBondContact O-CD1 3.2Å
75G93.9Very high90Very high2 Ų219 Ų192%0.02111%0.113CC..SBendtrans-82.6173173.400000115E73 K122 C258 H259E73-G75 VanDerWaalsContact C-N 3.32Å; E73-G75 PolarHBondContact OE1-N 2.88Å; G75-K122 VanDerWaalsContact CA-C 3.44Å; G75-K122 WeakPolarHBondContact CA-O 3.3Å; G75-C258 WeakPolarHBondContact O-CA 3.41Å; G75-C258 VanDerWaalsContact O-CB 3.3Å; G75-C258 WeakPolarHBondContact O-CB 3.44Å; G75-H259 PolarHBondContact O-N 3.5Å
76G90.3Very high89.7Confident11 Ų1117.4 Ų17.411%0.1139%0.094CC..BIsolated β-bridgetrans-89.8-176.4167.400000112.4V123 L124 H259G76-V123 WeakPolarHBondContact O-CA 3.13Å; G76-V123 VanDerWaalsContact O-CG2 3.29Å; G76-V123 WeakPolarHBondContact O-CG2 3.43Å; G76-L124 WeakPolarHBondContact O-CB 3.25Å; G76-L124 PolarHBondContact O-N 2.92Å; G76-H259 WeakPolarHBondContact CA-CE1 3.22Å; G76-H259 VanDerWaalsContact CA-NE2 3.34Å; G76-H259 WeakPolarHBondContact CA-NE2 3.46Å; G76-H259 PolarHBondContact N-CE1 3.24Å
77P89.3Confident89Confident32 Ų3217.5 Ų17.521%0.2089%0.094CC..PPolyproline II helixtrans-57.6147.2161.6-20.833.7000111.5P20 F24 T28P20-P77 HydrophobicContact CB-CB 3.95Å; F24-P77 HydrophobicContact CD2-CB 4.42Å; T28-P77 HydrophobicContact CG2-CG 4.09Å
78P87.1Confident87.9Confident0 Ų019.1 Ų19.10%010%0.103CC..PPolyproline II helixtrans-69.9147175.225.9-33.4000112.9Y19 F24 T82 V123 V129Y19-P78 WeakPolarHBondContact CD1-O 3.27Å; Y19-P78 HydrophobicContact CE1-CB 4.27Å; Y19-P78 HydrophobicContact CE1-CG 3.99Å; F24-P78 VanDerWaalsContact CE2-CD 3.47Å; F24-P78 HydrophobicContact CE2-CG 3.49Å; F24-P78 VanDerWaalsContact CE2-CG 3.49Å; F24-P78 HydrophobicContact CZ-CG 3.71Å; P78-T82 WeakPolarHBondContact CB-OG1 3.37Å; P78-V123 VanDerWaalsContact CA-CG2 3.45Å; P78-V123 HydrophobicContact CB-CG2 3.63Å; P78-V123 HydrophobicContact CG-CG2 4.25Å; P78-V129 HydrophobicContact CB-CG1 4.49Å
79D82.1Confident86.5Confident66 Ų6616.2 Ų16.235%0.3539%0.094SC..PPolyproline II helixtrans-81.2161.2169.1-60.6-38.8000111.5L16 D81 T82L16-D79 HydrophobicContact CD2-CB 4.42Å; D79-D81 PolarHBondContact O-N 3.13Å; D79-D81 VanDerWaalsContact O-N 3.16Å; D79-T82 PolarHBondContact O-N 3.28Å; D79-T82 VanDerWaalsContact O-N 3.11Å; D79-T82 PolarHBondContact O-OG1 3.28Å
80F83.1Confident84.7Confident8 Ų816.7 Ų16.74%0.03510%0.099CC..G310 helixtrans-57.8-30.6-177.8-178.1-106.5000113.8Y12 K15 L16 Y19 T82 A83 V84 Y370 L371Y12-F80 HydrophobicContact CD2-CE1 4.42Å; Y12-F80 HydrophobicContact CE2-CD1 4.28Å; Y12-F80 HydrophobicContact CE2-CE1 4.3Å; K15-F80 HydrophobicContact CB-CD1 3.75Å; K15-F80 HydrophobicContact CB-CD2 3.86Å; K15-F80 HydrophobicContact CB-CE1 3.79Å; K15-F80 HydrophobicContact CB-CE2 3.9Å; K15-F80 HydrophobicContact CB-CG 3.78Å; K15-F80 HydrophobicContact CB-CZ 3.85Å; K15-F80 HydrophobicContact CD-CD2 4.44Å; K15-F80 HydrophobicContact CD-CE2 3.99Å; K15-F80 HydrophobicContact CD-CZ 4.31Å; K15-F80 HydrophobicContact CG-CE1 4.29Å; K15-F80 HydrophobicContact CG-CE2 4.08Å; K15-F80 HydrophobicContact CG-CZ 3.95Å; L16-F80 HydrophobicContact CD2-CB 4.09Å; L16-F80 HydrophobicContact CG-CB 4.42Å; Y19-F80 HydrophobicContact CD1-CB 4.42Å; Y19-F80 AromaticContact CD2-CD2 3.87Å; Y19-F80 HydrophobicContact CD2-CD2 3.87Å; Y19-F80 HydrophobicContact CG-CB 4.13Å; Y19-F80 AromaticContact CG-CD2 3.99Å; Y19-F80 HydrophobicContact CG-CD2 3.99Å; F80-T82 PolarHBondContact O-N 2.89Å; F80-A83 HydrophobicContact CD2-CB 4.33Å; F80-A83 WeakPolarHBondContact O-CA 3.18Å; F80-A83 WeakPolarHBondContact O-CB 3.31Å; F80-A83 PolarHBondContact O-N 3.42Å; F80-V84 HydrophobicContact CE1-CG2 4.34Å; F80-Y370 HydrophobicContact CE1-CE1 4.12Å; F80-Y370 HydrophobicContact CE2-CE1 4.3Å; F80-Y370 HydrophobicContact CZ-CD1 4.21Å; F80-Y370 AromaticContact CZ-CE1 3.52Å; F80-Y370 HydrophobicContact CZ-CE1 3.52Å; F80-L371 HydrophobicContact CE1-CD2 3.59Å; F80-L371 HydrophobicContact CZ-CD2 3.84Å
81D78.1Confident82.8Confident55 Ų5518.4 Ų18.429%0.29411%0.108SC..G310 helixtrans-60.3-37.7179-64.25.6000111.8Y12 L16 D79 A83Y12-D81 WeakPolarHBondContact CE1-OD1 3.3Å; Y12-D81 PolarHBondContact OH-OD1 2.85Å; Y12-D81 PolarHBondContact OH-OD2 3.29Å; L16-D81 VanDerWaalsContact CD2-OD1 3.26Å; L16-D81 WeakPolarHBondContact CD2-OD1 3.24Å; D79-D81 PolarHBondContact O-N 3.13Å; D79-D81 VanDerWaalsContact O-N 3.16Å; D81-A83 PolarHBondContact O-N 3.04Å
82T79.9Confident80.9Confident4 Ų422.8 Ų22.83%0.02514%0.135CC..G310 helixtrans-72.8-15.2176.775.40000112.4P78 D79 F80 L89 V95P78-T82 WeakPolarHBondContact CB-OG1 3.37Å; D79-T82 PolarHBondContact O-N 3.28Å; D79-T82 VanDerWaalsContact O-N 3.11Å; D79-T82 PolarHBondContact O-OG1 3.28Å; F80-T82 PolarHBondContact O-N 2.89Å; T82-L89 HydrophobicContact CG2-CD1 3.36Å; T82-V95 HydrophobicContact CG2-CB 4.46Å; T82-V95 HydrophobicContact CG2-CG1 4.04Å; T82-V95 HydrophobicContact CG2-CG2 3.65Å
83A83.4Confident79.5Confident1 Ų123.4 Ų23.41%0.00814%0.139CC..G310 helixtrans-87.8-12.2-175.700000112.9Y19 F80 D81 P85 T238 K239 Y370Y19-A83 HydrophobicContact CD1-CB 4.28Å; Y19-A83 HydrophobicContact CD2-CB 4.06Å; Y19-A83 HydrophobicContact CE1-CB 3.64Å; Y19-A83 HydrophobicContact CE2-CB 3.38Å; Y19-A83 HydrophobicContact CG-CB 4.46Å; Y19-A83 VanDerWaalsContact OH-CB 3.26Å; Y19-A83 WeakPolarHBondContact OH-CB 3.24Å; F80-A83 HydrophobicContact CD2-CB 4.33Å; F80-A83 WeakPolarHBondContact O-CA 3.18Å; F80-A83 WeakPolarHBondContact O-CB 3.31Å; F80-A83 PolarHBondContact O-N 3.42Å; D81-A83 PolarHBondContact O-N 3.04Å; A83-P85 VanDerWaalsContact O-CD 3.25Å; A83-P85 WeakPolarHBondContact O-CD 3.34Å; A83-T238 HydrophobicContact CB-CG2 4.23Å; A83-T238 CarbonylContact O-C 3.56Å; A83-T238 VanDerWaalsContact O-CA 3.24Å; A83-T238 WeakPolarHBondContact O-CA 3.29Å; A83-T238 VanDerWaalsContact O-CB 3.25Å; A83-T238 WeakPolarHBondContact O-CB 3.2Å; A83-K239 PolarHBondContact O-N 2.64Å; A83-Y370 PolarHBondContact O-OH 3.11Å
84V85.3Confident78.5Confident8 Ų828.5 Ų28.55%0.04817%0.172CC..  trans-80.2114.8-177.7-170.30000109.7F80 F86 V87 K239 Y370 L378F80-V84 HydrophobicContact CE1-CG2 4.34Å; V84-F86 PolarHBondContact O-N 3.42Å; V84-F86 VanDerWaalsContact O-N 3.13Å; V84-V87 HydrophobicContact CB-CB 4.1Å; V84-V87 HydrophobicContact CB-CG2 3.81Å; V84-V87 HydrophobicContact CG1-CB 4.5Å; V84-V87 HydrophobicContact CG1-CG2 3.8Å; V84-V87 PolarHBondContact O-N 3.36Å; V84-V87 VanDerWaalsContact O-N 3.08Å; V84-K239 WeakPolarHBondContact O-CE 3.25Å; V84-Y370 HydrophobicContact CB-CE1 4.23Å; V84-Y370 HydrophobicContact CG1-CD1 4.36Å; V84-Y370 HydrophobicContact CG1-CE1 3.84Å; V84-Y370 HydrophobicContact CG2-CE1 3.68Å; V84-L378 HydrophobicContact CG1-CB 3.8Å; V84-L378 HydrophobicContact CG1-CD2 4.49Å; V84-L378 WeakPolarHBondContact CG1-O 3.31Å
85P83.8Confident78.1Confident0 Ų028.3 Ų28.30%017%0.169CC..THydrogen-bonded Turntrans-54.9-34.6-174.9-30.536.5000115.4A83 S133 T232 L378 N380A83-P85 VanDerWaalsContact O-CD 3.25Å; A83-P85 WeakPolarHBondContact O-CD 3.34Å; P85-S133 WeakPolarHBondContact CA-OG 3.43Å; P85-S133 PolarHBondContact O-OG 2.85Å; P85-T232 HydrophobicContact CB-CG2 4.08Å; P85-L378 VanDerWaalsContact CD-O 3.28Å; P85-L378 WeakPolarHBondContact CD-O 3.34Å; P85-N380 CarbonylContact C-O 3.38Å; P85-N380 VanDerWaalsContact C-O 3.25Å; P85-N380 WeakPolarHBondContact CB-O 3.5Å
86F81.9Confident77.9Confident9 Ų928.7 Ų28.74%0.03917%0.17CC..THydrogen-bonded Turntrans-80.8-14.5-176.8-165.3-89.7000113.7V84 L196 I361 L377 L378 N380 S382 P405 L408V84-F86 PolarHBondContact O-N 3.42Å; V84-F86 VanDerWaalsContact O-N 3.13Å; F86-L196 HydrophobicContact CE2-CD1 4.2Å; F86-I361 HydrophobicContact CD1-CG2 4.21Å; F86-I361 HydrophobicContact CE1-CG2 3.17Å; F86-I361 HydrophobicContact CE2-CG2 4.46Å; F86-I361 HydrophobicContact CZ-CD1 4.23Å; F86-I361 HydrophobicContact CZ-CG2 3.31Å; F86-L377 HydrophobicContact CD2-CD1 4.24Å; F86-L377 HydrophobicContact CD2-CG 4.43Å; F86-L377 HydrophobicContact CE2-CD1 3.86Å; F86-L377 HydrophobicContact CE2-CG 4.25Å; F86-L378 HydrophobicContact CB-CB 4.48Å; F86-L378 HydrophobicContact CB-CD2 4.09Å; F86-L378 WeakPolarHBondContact CB-O 2.97Å; F86-L378 HydrophobicContact CD1-CD2 4.01Å; F86-L378 HydrophobicContact CG-CD2 4.25Å; F86-L378 PolarHBondContact N-O 3Å; F86-N380 WeakPolarHBondContact CA-O 3.46Å; F86-N380 WeakPolarHBondContact CB-O 3.2Å; F86-N380 PolarHBondContact N-O 3.41Å; F86-S382 WeakPolarHBondContact O-CB 3.4Å; F86-P405 HydrophobicContact CE1-CG 4.09Å; F86-P405 HydrophobicContact CE2-CG 3.95Å; F86-P405 HydrophobicContact CZ-CB 4.21Å; F86-P405 HydrophobicContact CZ-CG 3.33Å; F86-L408 HydrophobicContact CD1-CD1 4.12Å; F86-L408 HydrophobicContact CE1-CD1 4.13Å; F86-L408 HydrophobicContact CE1-CG 4.36Å
87V76.7Confident78Confident41 Ų4131.5 Ų31.525%0.24818%0.178CC..  trans-93.4122.2-177.2177.80000109.8V84 L89 K239V84-V87 HydrophobicContact CB-CB 4.1Å; V84-V87 HydrophobicContact CB-CG2 3.81Å; V84-V87 HydrophobicContact CG1-CB 4.5Å; V84-V87 HydrophobicContact CG1-CG2 3.8Å; V84-V87 PolarHBondContact O-N 3.36Å; V84-V87 VanDerWaalsContact O-N 3.08Å; V87-L89 HydrophobicContact CG1-CD2 3.83Å; V87-L89 HydrophobicContact CG1-CG 4.29Å; V87-K239 PolarHBondContact O-NZ 3.4Å
88D71.9Confident78Confident47 Ų4733.7 Ų33.725%0.25119%0.187SC..  trans-97.2115166.8-68-29000108.2S132 S382 K404D88-S132 WeakPolarHBondContact OD1-CA 3.15Å; D88-S132 PolarHBondContact OD1-N 3.08Å; D88-S382 PolarHBondContact OD1-OG 3.29Å; D88-S382 PolarHBondContact OD2-OG 3.35Å; D88-K404 VanDerWaalsContact OD2-CE 3.3Å; D88-K404 WeakPolarHBondContact OD2-CE 3.49Å; D88-K404 IonicContact OD2-NZ 2.57Å; D88-K404 PolarHBondContact OD2-NZ 3.02Å
89L65.7Low78.3Confident30 Ų3035 Ų3516%0.15719%0.193CC..  trans-84.5128.4-177.4-68175.3000111.7T82 V87 R119T82-L89 HydrophobicContact CG2-CD1 3.36Å; V87-L89 HydrophobicContact CG1-CD2 3.83Å; V87-L89 HydrophobicContact CG1-CG 4.29Å; L89-R119 PolarHBondContact O-NE 2.98Å; L89-R119 PolarHBondContact O-NH2 3.28Å
90G60.6Low78.9Confident11 Ų1135.2 Ų35.211%0.11319%0.194CC..  trans-91.5-166.9175.400000115.5T92 S93 D417G90-T92 PolarHBondContact O-N 2.98Å; G90-S93 WeakPolarHBondContact O-CB 3.19Å; G90-S93 PolarHBondContact O-N 3.32Å; G90-S93 VanDerWaalsContact O-N 3.11Å; G90-D417 VanDerWaalsContact CA-CG 3.49Å; G90-D417 WeakPolarHBondContact CA-OD1 3.14Å
91N57.6Low79.6Confident35 Ų3535 Ų3519%0.18719%0.193CC..THydrogen-bonded Turntrans-61.7-9.9-164.768.65.8000118S93 N98 H117 E416 D417N91-S93 VanDerWaalsContact C-N 3.26Å; N91-N98 PolarHBondContact O-OD1 3.2Å; N91-H117 VanDerWaalsContact CB-CE1 3.42Å; N91-H117 WeakPolarHBondContact CB-CE1 3.39Å; N91-E416 PolarHBondContact ND2-O 3.34Å; N91-D417 VanDerWaalsContact CB-O 3.32Å; N91-D417 WeakPolarHBondContact CB-O 3.46Å; N91-D417 PolarHBondContact N-OD1 2.76Å; N91-D417 PolarHBondContact ND2-O 2.86Å; N91-D417 PolarHBondContact OD1-OD1 2.86Å
92T57.2Low80.5Confident92 Ų9234.7 Ų34.756%0.56419%0.193SC*.THydrogen-bonded Turntrans-92.612.6175.176.70000112.8G90 R413G90-T92 PolarHBondContact O-N 2.98Å; T92-R413 VanDerWaalsContact CG2-NH2 3.31Å; T92-R413 PolarHBondContact OG1-NH2 2.82Å
93S68.3Low81.3Confident15 Ų1537.3 Ų37.311%0.10521%0.212CC..  trans-69.6131.6176.8-169.50000111.2G90 N91 V95G90-S93 WeakPolarHBondContact O-CB 3.19Å; G90-S93 PolarHBondContact O-N 3.32Å; G90-S93 VanDerWaalsContact O-N 3.11Å; N91-S93 VanDerWaalsContact C-N 3.26Å; S93-V95 PolarHBondContact O-N 3.2Å; S93-V95 WeakPolarHBondContact OG-CG2 3.43Å; S93-V95 PolarHBondContact OG-N 3.32Å
94T77.1Confident82Confident120 Ų12037.3 Ų37.374%0.73621%0.211SC*.THydrogen-bonded Turntrans-69.1-9.6171.650.10000112.4
95V87.2Confident82.5Confident8 Ų845.9 Ų45.95%0.04825%0.248CC..THydrogen-bonded Turntrans-99.416-177.9-57.90000114T82 S93 A121 K122 V123 V129 L130T82-V95 HydrophobicContact CG2-CB 4.46Å; T82-V95 HydrophobicContact CG2-CG1 4.04Å; T82-V95 HydrophobicContact CG2-CG2 3.65Å; S93-V95 PolarHBondContact O-N 3.2Å; S93-V95 WeakPolarHBondContact OG-CG2 3.43Å; S93-V95 PolarHBondContact OG-N 3.32Å; V95-A121 CarbonylContact O-C 3.56Å; V95-A121 WeakPolarHBondContact O-CA 2.83Å; V95-K122 PolarHBondContact O-N 2.93Å; V95-V123 HydrophobicContact CB-CB 3.84Å; V95-V123 HydrophobicContact CB-CG1 3.92Å; V95-V123 HydrophobicContact CB-CG2 4.25Å; V95-V123 HydrophobicContact CG1-CB 4.16Å; V95-V123 HydrophobicContact CG1-CG2 4.06Å; V95-V123 HydrophobicContact CG2-CG1 4.37Å; V95-V129 HydrophobicContact CG2-CG2 4.39Å; V95-L130 HydrophobicContact CG2-CD2 4.15Å
96E90.3Very high83.1Confident9 Ų952.8 Ų52.84%0.04227%0.274CS..BIsolated β-bridgetrans-115.2157.8177.2-73.7-169.7-133.600112.9N98 H117 R119 V120 L130E96-N98 WeakPolarHBondContact CB-OD1 3.48Å; E96-H117 IonicContact OE2-CD2 2.7Å; E96-H117 IonicContact OE2-CE1 2.99Å; E96-H117 IonicContact OE2-NE2 3.09Å; E96-H117 PolarHBondContact OE2-NE2 3.34Å; E96-R119 WeakPolarHBondContact OE2-CA 3.34Å; E96-V120 CarbonylContact C-O 3.57Å; E96-V120 WeakPolarHBondContact CA-O 3.13Å; E96-L130 HydrophobicContact CG-CD1 3.79Å; E96-L130 HydrophobicContact CG-CD2 3.89Å
97W92.4Very high83.9Confident71 Ų7152.4 Ų52.427%0.26927%0.272SS..  trans-74.3-14.1167-74.897.4000113.1A74 Y99 V120 A121 K122A74-W97 HydrophobicContact CB-CH2 3.96Å; A74-W97 HydrophobicContact CB-CZ2 3.62Å; W97-Y99 VanDerWaalsContact C-N 3.33Å; W97-Y99 HydrophobicContact CB-CD1 4.33Å; W97-Y99 HydrophobicContact CB-CD2 3.6Å; W97-Y99 HydrophobicContact CB-CE1 4.1Å; W97-Y99 HydrophobicContact CB-CE2 3.37Å; W97-Y99 HydrophobicContact CB-CG 4.08Å; W97-Y99 HydrophobicContact CD2-CE2 4.21Å; W97-Y99 AromaticContact CD2-CZ 3.99Å; W97-Y99 HydrophobicContact CG-CD2 4.32Å; W97-Y99 AromaticContact CG-CE2 3.64Å; W97-Y99 HydrophobicContact CG-CE2 3.64Å; W97-Y99 AromaticContact CG-CZ 3.85Å; W97-Y99 PolarHBondContact O-N 2.88Å; W97-V120 PolarHBondContact N-O 3.42Å; W97-A121 VanDerWaalsContact CD1-O 3.27Å; W97-A121 PolarHBondContact NE1-O 3.38Å; W97-K122 HydrophobicContact CD2-CB 4.13Å; W97-K122 HydrophobicContact CD2-CD 3.9Å; W97-K122 HydrophobicContact CD2-CG 4.08Å; W97-K122 HydrophobicContact CE3-CD 3.97Å; W97-K122 HydrophobicContact CG-CB 4.02Å; W97-K122 HydrophobicContact CG-CG 4.5Å; W97-K122 HydrophobicContact CH2-CD 4.1Å; W97-K122 HydrophobicContact CH2-CG 4.42Å; W97-K122 HydrophobicContact CZ2-CD 4Å; W97-K122 HydrophobicContact CZ2-CG 3.85Å; W97-K122 HydrophobicContact CZ3-CD 4.07Å
98N88.6Confident84.8Confident77 Ų7750.4 Ų50.441%0.41226%0.26SS..  trans54.246.1-179.1-64.8-35.4000113.5N91 E96N91-N98 PolarHBondContact O-OD1 3.2Å; E96-N98 WeakPolarHBondContact CB-OD1 3.48Å
99Y93.1Very high86Confident28 Ų2850.1 Ų50.111%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-77.7127.7179.3-73.3-40.2000111.7W97 L118 V120 I303 P467 M469W97-Y99 VanDerWaalsContact C-N 3.33Å; W97-Y99 HydrophobicContact CB-CD1 4.33Å; W97-Y99 HydrophobicContact CB-CD2 3.6Å; W97-Y99 HydrophobicContact CB-CE1 4.1Å; W97-Y99 HydrophobicContact CB-CE2 3.37Å; W97-Y99 HydrophobicContact CB-CG 4.08Å; W97-Y99 HydrophobicContact CD2-CE2 4.21Å; W97-Y99 AromaticContact CD2-CZ 3.99Å; W97-Y99 HydrophobicContact CG-CD2 4.32Å; W97-Y99 AromaticContact CG-CE2 3.64Å; W97-Y99 HydrophobicContact CG-CE2 3.64Å; W97-Y99 AromaticContact CG-CZ 3.85Å; W97-Y99 PolarHBondContact O-N 2.88Å; Y99-L118 PolarHBondContact O-N 2.87Å; Y99-V120 HydrophobicContact CD2-CB 4.13Å; Y99-V120 HydrophobicContact CD2-CG1 4.44Å; Y99-V120 HydrophobicContact CD2-CG2 4.27Å; Y99-V120 HydrophobicContact CE2-CG1 4.47Å; Y99-I303 HydrophobicContact CD2-CD1 3.69Å; Y99-I303 HydrophobicContact CD2-CG2 4.45Å; Y99-I303 HydrophobicContact CE2-CB 4.46Å; Y99-I303 HydrophobicContact CE2-CD1 4.05Å; Y99-I303 HydrophobicContact CE2-CG2 3.85Å; Y99-P467 HydrophobicContact CD1-CG 4.35Å; Y99-P467 HydrophobicContact CE1-CG 3.59Å; Y99-P467 HydrophobicContact CE2-CG 4.48Å; Y99-M469 VanDerWaalsContact CB-CE 3.41Å; Y99-M469 HydrophobicContact CD1-CE 3.82Å; Y99-M469 HydrophobicContact CD2-CE 3.96Å; Y99-M469 HydrophobicContact CG-CE 3.46Å; Y99-M469 VanDerWaalsContact CG-CE 3.46Å
100L94.7Very high87.4Confident71 Ų7149.4 Ų49.437%0.37225%0.254SS..EExtended strand (participates in β ladder)trans-99.1144.5163.8-68.4172.7000110.1K115 V116 H117 N419L100-K115 HydrophobicContact CB-CB 4.21Å; L100-K115 HydrophobicContact CB-CD 4.21Å; L100-K115 HydrophobicContact CD1-CD 4.25Å; L100-K115 HydrophobicContact CD2-CB 4.35Å; L100-V116 WeakPolarHBondContact CA-O 3.27Å; L100-H117 HydrophobicContact CD2-CB 4.16Å; L100-N419 HydrophobicContact CD2-CB 4.35Å
101T97.3Very high89Confident4 Ų448.9 Ų48.93%0.02525%0.249CC..PPolyproline II helixtrans-64.4164.9167.665.70000110.8K115 V116 L118 M469 P471 Y473T101-K115 WeakPolarHBondContact O-CD 3.46Å; T101-K115 VanDerWaalsContact O-CG 3.25Å; T101-K115 WeakPolarHBondContact O-CG 3.22Å; T101-V116 HydrophobicContact CG2-CB 3.91Å; T101-V116 PolarHBondContact N-O 3.21Å; T101-V116 PolarHBondContact OG1-N 3.09Å; T101-L118 HydrophobicContact CG2-CD1 3.86Å; T101-L118 HydrophobicContact CG2-CD2 3.74Å; T101-L118 HydrophobicContact CG2-CG 3.78Å; T101-M469 CarbonylContact C-O 3.45Å; T101-M469 WeakPolarHBondContact CA-O 3.3Å; T101-P471 HydrophobicContact CG2-CG 3.73Å; T101-Y473 HydrophobicContact CG2-CE2 4.5Å
102T96.6Very high90.8Very high47 Ų4750.1 Ų50.129%0.28826%0.258SS..SBendtrans-60.6161.9154.158.80000110.4Q104 R468 M469 N470T102-Q104 PolarHBondContact O-N 3.15Å; T102-Q104 PolarHBondContact O-NE2 3.45Å; T102-R468 HydrophobicContact CG2-CB 4.22Å; T102-M469 PolarHBondContact N-O 3.34Å; T102-M469 PolarHBondContact OG1-O 3.17Å; T102-N470 WeakPolarHBondContact OG1-CA 2.9Å; T102-N470 WeakPolarHBondContact OG1-CB 3.42Å; T102-N470 PolarHBondContact OG1-OD1 2.81Å
103S97.9Very high92.7Very high60 Ų6050.3 Ų50.342%0.4226%0.255SS..PPolyproline II helixtrans-60124.6-179.5-171.40000111.2D113S103-D113 WeakPolarHBondContact CB-O 3.08Å; S103-D113 PolarHBondContact OG-O 2.77Å
104Q97.6Very high94.1Very high1 Ų152.4 Ų52.41%0.00526%0.263CS..PPolyproline II helixtrans-83.6121.7-178.8-60.2-56.1-70.400109.9T102 R106 A107 A108 H114 V116 N470 Y473T102-Q104 PolarHBondContact O-N 3.15Å; T102-Q104 PolarHBondContact O-NE2 3.45Å; Q104-R106 PolarHBondContact O-N 3.09Å; Q104-A107 HydrophobicContact CB-CB 4.32Å; Q104-A107 WeakPolarHBondContact CB-O 3.44Å; Q104-A108 HydrophobicContact CB-CB 4.37Å; Q104-H114 PolarHBondContact N-O 3.13Å; Q104-V116 HydrophobicContact CG-CG2 4.29Å; Q104-N470 PolarHBondContact NE2-OD1 3.42Å; Q104-Y473 HydrophobicContact CG-CD2 4.09Å
105K96.3Very high95Very high187 Ų18749.5 Ų49.581%0.81324%0.24SC*.SBendtrans-76.6-20.6-173.2-64.4-176.2-179.5-179.80114.4
106R96.6Very high95.4Very high146 Ų14649.1 Ų49.155%0.55124%0.238SC*.SBendtrans-1343.6-169-64.5-66.4-170.9157.41113.6Q104 T475Q104-R106 PolarHBondContact O-N 3.09Å; R106-T475 HydrophobicContact CG-CG2 4.37Å
107A97.5Very high95.6Very high0 Ų049.1 Ų49.10%024%0.238CC..SBendtrans-145.6171.8-175.900000109.6Q104 L109 L474 R531 A534Q104-A107 HydrophobicContact CB-CB 4.32Å; Q104-A107 WeakPolarHBondContact CB-O 3.44Å; A107-L109 PolarHBondContact O-N 3.39Å; A107-L474 HydrophobicContact CB-CB 4.16Å; A107-L474 HydrophobicContact CB-CD1 3.87Å; A107-L474 HydrophobicContact CB-CG 3.95Å; A107-R531 CarbonylContact C-O 3.56Å; A107-R531 WeakPolarHBondContact CA-O 3.19Å; A107-A534 HydrophobicContact CB-CB 4.36Å
108A96.8Very high95.6Very high0 Ų045.7 Ų45.70%023%0.225CC..  trans54.732.1174.900000114.2Q104 E110 M111 H114 V116 R531Q104-A108 HydrophobicContact CB-CB 4.37Å; A108-E110 PolarHBondContact O-N 2.75Å; A108-M111 HydrophobicContact CB-CB 4.2Å; A108-M111 HydrophobicContact CB-CE 4.19Å; A108-M111 HydrophobicContact CB-CG 3.99Å; A108-M111 HydrophobicContact CB-SD 3.5Å; A108-M111 WeakPolarHBondContact CB-SD 3.4Å; A108-M111 WeakPolarHBondContact O-CB 3.4Å; A108-M111 PolarHBondContact O-N 2.99Å; A108-H114 WeakPolarHBondContact O-CA 3.36Å; A108-V116 HydrophobicContact CB-CG2 3.6Å; A108-R531 PolarHBondContact N-O 3.07Å
109L96.5Very high95.6Very high41 Ų4143.8 Ų43.822%0.21521%0.212CC..THydrogen-bonded Turntrans-67.3-20.7-171.9-57.2177.6000113.2A107 H114 R421 R531 H532A107-L109 PolarHBondContact O-N 3.39Å; L109-H114 PolarHBondContact O-CD2 2.95Å; L109-R421 PolarHBondContact O-NH2 3.29Å; L109-R531 HydrophobicContact CD1-CB 4.16Å; L109-R531 PolarHBondContact N-O 2.8Å; L109-H532 PolarHBondContact N-O 3Å
110E95.1Very high95.6Very high14 Ų1443.5 Ų43.57%0.06521%0.213CC..THydrogen-bonded Turntrans-93.93.7173.9-64.7-54.3145.100114.1A108 F420 R421 V424 H532 M533A108-E110 PolarHBondContact O-N 2.75Å; E110-F420 HydrophobicContact CB-CD1 3.99Å; E110-F420 HydrophobicContact CB-CE1 4.23Å; E110-R421 VanDerWaalsContact O-CG 3.29Å; E110-R421 WeakPolarHBondContact O-CG 3.4Å; E110-R421 PolarHBondContact O-N 2.86Å; E110-V424 HydrophobicContact CB-CG2 3.68Å; E110-V424 HydrophobicContact CG-CG2 4.34Å; E110-H532 HydrophobicContact CG-CB 3.84Å; E110-H532 PolarHBondContact N-O 3.37Å; E110-H532 IonicContact OE1-CE1 3.29Å; E110-H532 PolarHBondContact OE1-CE1 3.27Å; E110-H532 IonicContact OE1-CG 2.71Å; E110-H532 IonicContact OE1-ND1 3.86Å; E110-H532 PolarHBondContact OE1-ND1 3.31Å; E110-M533 HydrophobicContact CB-SD 4.33Å; E110-M533 HydrophobicContact CG-SD 4.31Å
111M94.9Very high95.5Very high0 Ų040.6 Ų40.60%020%0.199CC..BIsolated β-bridgetrans-86.5155.4173.9-62.6-179.3-173.400111.9A108 D113 H114 K115 V116 N419 F420 R421A108-M111 HydrophobicContact CB-CB 4.2Å; A108-M111 HydrophobicContact CB-CE 4.19Å; A108-M111 HydrophobicContact CB-CG 3.99Å; A108-M111 HydrophobicContact CB-SD 3.5Å; A108-M111 WeakPolarHBondContact CB-SD 3.4Å; A108-M111 WeakPolarHBondContact O-CB 3.4Å; A108-M111 PolarHBondContact O-N 2.99Å; M111-D113 PolarHBondContact O-N 3.34Å; M111-H114 PolarHBondContact O-N 2.94Å; M111-H114 VanDerWaalsContact O-N 3.07Å; M111-K115 WeakPolarHBondContact CB-O 3.11Å; M111-V116 HydrophobicContact CE-CG2 4.22Å; M111-V116 HydrophobicContact SD-CB 4.15Å; M111-V116 HydrophobicContact SD-CG2 3.65Å; M111-N419 CarbonylContact C-O 3.53Å; M111-N419 VanDerWaalsContact CA-O 3.24Å; M111-N419 WeakPolarHBondContact CA-O 3.39Å; M111-N419 VanDerWaalsContact CB-O 3.3Å; M111-N419 WeakPolarHBondContact CB-O 3.37Å; M111-F420 HydrophobicContact CE-CE1 3.91Å; M111-F420 HydrophobicContact CE-CE2 3.94Å; M111-F420 HydrophobicContact CE-CZ 3.54Å; M111-F420 HydrophobicContact CG-CD1 3.82Å; M111-F420 HydrophobicContact CG-CE1 3.89Å; M111-F420 HydrophobicContact CG-CG 4.29Å; M111-F420 HydrophobicContact CG-CZ 4.41Å; M111-R421 PolarHBondContact O-NE 3.19Å
112V95.3Very high95.4Very high62 Ų6243.3 Ų43.338%0.37621%0.211SC..G310 helixtrans-61.5126.1174.6-177.90000108.6H114 K115 N419 R421V112-H114 PolarHBondContact O-N 3.15Å; V112-K115 PolarHBondContact O-N 2.63Å; V112-K115 VanDerWaalsContact O-N 3.07Å; V112-N419 PolarHBondContact N-O 2.95Å; V112-N419 PolarHBondContact O-ND2 2.97Å; V112-R421 HydrophobicContact CG2-CG 4.11Å
113D96.5Very high95.2Very high96 Ų9641.1 Ų41.151%0.51320%0.198SC..G310 helixtrans54.915.3-172.5-60-23000116.1S103 M111 K115S103-D113 WeakPolarHBondContact CB-O 3.08Å; S103-D113 PolarHBondContact OG-O 2.77Å; M111-D113 PolarHBondContact O-N 3.34Å; D113-K115 HydrophobicContact CB-CD 3.87Å; D113-K115 HydrophobicContact CB-CG 3.88Å; D113-K115 PolarHBondContact O-N 2.95Å; D113-K115 IonicContact OD2-NZ 3.41Å; D113-K115 PolarHBondContact OD2-NZ 2.96Å
114H97.1Very high95Very high59 Ų5938.3 Ų38.327%0.27318%0.178SC..G310 helixtrans54.934.3-168.8-37.7142000113.1Q104 A108 L109 M111 V112 R421Q104-H114 PolarHBondContact N-O 3.13Å; A108-H114 WeakPolarHBondContact O-CA 3.36Å; L109-H114 PolarHBondContact O-CD2 2.95Å; M111-H114 PolarHBondContact O-N 2.94Å; M111-H114 VanDerWaalsContact O-N 3.07Å; V112-H114 PolarHBondContact O-N 3.15Å; H114-R421 PolarHBondContact CD2-NH2 3.18Å; H114-R421 VanDerWaalsContact CD2-NH2 3.25Å; H114-R421 PolarHBondContact NE2-NH2 2.92Å
115K97.1Very high94.8Very high58 Ų5838.2 Ų38.225%0.25218%0.178SC..  trans-104134.5178.5-62176.2-173.3146.60109.6L100 T101 M111 V112 D113 N419L100-K115 HydrophobicContact CB-CB 4.21Å; L100-K115 HydrophobicContact CB-CD 4.21Å; L100-K115 HydrophobicContact CD1-CD 4.25Å; L100-K115 HydrophobicContact CD2-CB 4.35Å; T101-K115 WeakPolarHBondContact O-CD 3.46Å; T101-K115 VanDerWaalsContact O-CG 3.25Å; T101-K115 WeakPolarHBondContact O-CG 3.22Å; M111-K115 WeakPolarHBondContact CB-O 3.11Å; V112-K115 PolarHBondContact O-N 2.63Å; V112-K115 VanDerWaalsContact O-N 3.07Å; D113-K115 HydrophobicContact CB-CD 3.87Å; D113-K115 HydrophobicContact CB-CG 3.88Å; D113-K115 PolarHBondContact O-N 2.95Å; D113-K115 IonicContact OD2-NZ 3.41Å; D113-K115 PolarHBondContact OD2-NZ 2.96Å; K115-N419 PolarHBondContact O-ND2 3.37Å
116V95.8Very high94.7Very high0 Ų029.8 Ų29.80%014%0.144CC..  trans-90.2134.7174.9177.90000108.7L100 T101 Q104 A108 M111 L118 Y473 T535 T536L100-V116 WeakPolarHBondContact CA-O 3.27Å; T101-V116 HydrophobicContact CG2-CB 3.91Å; T101-V116 PolarHBondContact N-O 3.21Å; T101-V116 PolarHBondContact OG1-N 3.09Å; Q104-V116 HydrophobicContact CG-CG2 4.29Å; A108-V116 HydrophobicContact CB-CG2 3.6Å; M111-V116 HydrophobicContact CE-CG2 4.22Å; M111-V116 HydrophobicContact SD-CB 4.15Å; M111-V116 HydrophobicContact SD-CG2 3.65Å; V116-L118 HydrophobicContact CG1-CD2 4.34Å; V116-Y473 HydrophobicContact CB-CE2 4.12Å; V116-Y473 HydrophobicContact CG1-CE2 4.21Å; V116-Y473 HydrophobicContact CG2-CD2 3.97Å; V116-Y473 HydrophobicContact CG2-CE2 3.81Å; V116-T535 WeakPolarHBondContact CG1-OG1 3.49Å; V116-T536 HydrophobicContact CG1-CG2 3.85Å
117H93.5Very high94.4Very high9 Ų926.1 Ų26.14%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-73.7120.1167.7-175.880.6000109.9N91 E96 L100 N419 T536N91-H117 VanDerWaalsContact CB-CE1 3.42Å; N91-H117 WeakPolarHBondContact CB-CE1 3.39Å; E96-H117 IonicContact OE2-CD2 2.7Å; E96-H117 IonicContact OE2-CE1 2.99Å; E96-H117 IonicContact OE2-NE2 3.09Å; E96-H117 PolarHBondContact OE2-NE2 3.34Å; L100-H117 HydrophobicContact CD2-CB 4.16Å; H117-N419 HydrophobicContact CB-CB 4.28Å; H117-T536 WeakPolarHBondContact O-CG2 3.47Å
118L93.1Very high94Very high0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-95.1112.7177.5-60.2179.2000108.9Y99 T101 V116 V120 I303 M469 T536 L540Y99-L118 PolarHBondContact O-N 2.87Å; T101-L118 HydrophobicContact CG2-CD1 3.86Å; T101-L118 HydrophobicContact CG2-CD2 3.74Å; T101-L118 HydrophobicContact CG2-CG 3.78Å; V116-L118 HydrophobicContact CG1-CD2 4.34Å; L118-V120 HydrophobicContact CB-CG2 4.18Å; L118-V120 PolarHBondContact O-N 3.09Å; L118-I303 HydrophobicContact CD1-CD1 4.43Å; L118-M469 HydrophobicContact CD1-CB 3.73Å; L118-M469 HydrophobicContact CD1-CE 3.91Å; L118-M469 HydrophobicContact CD1-CG 3.9Å; L118-T536 HydrophobicContact CD2-CG2 4.35Å; L118-L540 HydrophobicContact CB-CD1 4.29Å; L118-L540 HydrophobicContact CD1-CD1 4Å; L118-L540 HydrophobicContact CD1-CD2 4.47Å; L118-L540 HydrophobicContact CD2-CD1 4.26Å; L118-L540 HydrophobicContact CG-CD1 4.42Å
119R89.1Confident93.6Very high36 Ų3626.6 Ų26.614%0.13614%0.138CC..  trans-7492.9-179.9-67.9-174.558.6-133.610.7110.6L89 E96 L130 E538L89-R119 PolarHBondContact O-NE 2.98Å; L89-R119 PolarHBondContact O-NH2 3.28Å; E96-R119 WeakPolarHBondContact OE2-CA 3.34Å; R119-L130 HydrophobicContact CB-CD1 4.24Å; R119-L130 PolarHBondContact NH2-O 2.95Å; R119-E538 WeakPolarHBondContact CD-OE1 3.39Å; R119-E538 IonicContact CZ-OE1 3Å; R119-E538 IonicContact NE-OE1 3.8Å; R119-E538 IonicContact NH1-OE1 3.84Å; R119-E538 PolarHBondContact NH1-OE1 3.37Å; R119-E538 IonicContact NH1-OE2 2.98Å
120V92.4Very high93.1Very high22 Ų2224.9 Ų24.913%0.13313%0.129CC..  trans-127.9113.5-176.9-173.20000109.2E96 W97 Y99 L118 I303 L540E96-V120 CarbonylContact C-O 3.57Å; E96-V120 WeakPolarHBondContact CA-O 3.13Å; W97-V120 PolarHBondContact N-O 3.42Å; Y99-V120 HydrophobicContact CD2-CB 4.13Å; Y99-V120 HydrophobicContact CD2-CG1 4.44Å; Y99-V120 HydrophobicContact CD2-CG2 4.27Å; Y99-V120 HydrophobicContact CE2-CG1 4.47Å; L118-V120 HydrophobicContact CB-CG2 4.18Å; L118-V120 PolarHBondContact O-N 3.09Å; V120-I303 HydrophobicContact CG2-CD1 4.01Å; V120-L540 HydrophobicContact CG2-CD1 4.16Å
121A92.9Very high92.3Very high10 Ų1025.2 Ų25.28%0.08314%0.137CC..BIsolated β-bridgetrans-71.7141.9-174.200000112.4V95 W97 V123 G126 N127 L130V95-A121 CarbonylContact O-C 3.56Å; V95-A121 WeakPolarHBondContact O-CA 2.83Å; W97-A121 VanDerWaalsContact CD1-O 3.27Å; W97-A121 PolarHBondContact NE1-O 3.38Å; A121-V123 HydrophobicContact CB-CG1 3.98Å; A121-G126 WeakPolarHBondContact CB-O 3.39Å; A121-N127 WeakPolarHBondContact CB-OD1 3.35Å; A121-N127 PolarHBondContact N-OD1 3.3Å; A121-L130 HydrophobicContact CB-CD1 3.78Å; A121-L130 HydrophobicContact CB-CG 4.13Å
122K94.4Very high91.5Very high62 Ų6226.1 Ų26.127%0.2714%0.143SC..  trans-126.369.3170.8-169.7-173174.6-172.40108.1A74 G75 V95 W97A74-K122 HydrophobicContact CB-CG 4.3Å; A74-K122 VanDerWaalsContact O-CE 3.29Å; A74-K122 WeakPolarHBondContact O-CE 3.46Å; G75-K122 VanDerWaalsContact CA-C 3.44Å; G75-K122 WeakPolarHBondContact CA-O 3.3Å; V95-K122 PolarHBondContact O-N 2.93Å; W97-K122 HydrophobicContact CD2-CB 4.13Å; W97-K122 HydrophobicContact CD2-CD 3.9Å; W97-K122 HydrophobicContact CD2-CG 4.08Å; W97-K122 HydrophobicContact CE3-CD 3.97Å; W97-K122 HydrophobicContact CG-CB 4.02Å; W97-K122 HydrophobicContact CG-CG 4.5Å; W97-K122 HydrophobicContact CH2-CD 4.1Å; W97-K122 HydrophobicContact CH2-CG 4.42Å; W97-K122 HydrophobicContact CZ2-CD 4Å; W97-K122 HydrophobicContact CZ2-CG 3.85Å; W97-K122 HydrophobicContact CZ3-CD 4.07Å
123V93.4Very high91Very high1 Ų123.7 Ų23.71%0.00613%0.129CC..BIsolated β-bridgetrans-161.4152.5-173.257.60000110.2G76 P78 V95 A121 G125 G126 V129G76-V123 WeakPolarHBondContact O-CA 3.13Å; G76-V123 VanDerWaalsContact O-CG2 3.29Å; G76-V123 WeakPolarHBondContact O-CG2 3.43Å; P78-V123 VanDerWaalsContact CA-CG2 3.45Å; P78-V123 HydrophobicContact CB-CG2 3.63Å; P78-V123 HydrophobicContact CG-CG2 4.25Å; V95-V123 HydrophobicContact CB-CB 3.84Å; V95-V123 HydrophobicContact CB-CG1 3.92Å; V95-V123 HydrophobicContact CB-CG2 4.25Å; V95-V123 HydrophobicContact CG1-CB 4.16Å; V95-V123 HydrophobicContact CG1-CG2 4.06Å; V95-V123 HydrophobicContact CG2-CG1 4.37Å; A121-V123 HydrophobicContact CB-CG1 3.98Å; V123-G125 PolarHBondContact O-N 3.38Å; V123-G126 PolarHBondContact O-N 3.47Å; V123-V129 HydrophobicContact CG1-CG2 3.54Å
124L93.6Very high90.6Very high0 Ų020 Ų200%011%0.111CC..THydrogen-bonded Turntrans-55.9120.2175.3-169.170.4000110.6F24 I27 S50 E73 G76 N241 A243 L247 V256F24-L124 HydrophobicContact CB-CD2 4.5Å; F24-L124 HydrophobicContact CD1-CD2 3.36Å; F24-L124 HydrophobicContact CD1-CG 4.4Å; F24-L124 HydrophobicContact CE1-CD2 3.5Å; F24-L124 VanDerWaalsContact CE1-CD2 3.5Å; F24-L124 HydrophobicContact CE1-CG 4.09Å; F24-L124 HydrophobicContact CG-CD2 3.89Å; F24-L124 HydrophobicContact CZ-CD2 4.19Å; I27-L124 HydrophobicContact CD1-CD2 3.9Å; I27-L124 HydrophobicContact CG2-CD2 4.09Å; S50-L124 WeakPolarHBondContact OG-CA 3.43Å; E73-L124 HydrophobicContact CB-CD1 4.33Å; E73-L124 HydrophobicContact CG-CB 4.45Å; E73-L124 HydrophobicContact CG-CD1 4.33Å; G76-L124 WeakPolarHBondContact O-CB 3.25Å; G76-L124 PolarHBondContact O-N 2.92Å; L124-N241 PolarHBondContact O-ND2 3.16Å; L124-A243 HydrophobicContact CD1-CB 3.99Å; L124-A243 HydrophobicContact CD2-CB 4.31Å; L124-A243 HydrophobicContact CG-CB 3.61Å; L124-L247 HydrophobicContact CD1-CD1 4.48Å; L124-V256 HydrophobicContact CD1-CG1 3.88Å
125G92.9Very high90.1Very high0 Ų017.8 Ų17.80%010%0.101CC..THydrogen-bonded Turntrans101.2-10.2-172.300000115.1S50 V123 S128 N241 P242S50-G125 CarbonylContact O-C 3.57Å; S50-G125 WeakPolarHBondContact O-CA 3.3Å; S50-G125 PolarHBondContact O-N 3.22Å; S50-G125 PolarHBondContact OG-N 2.94Å; S50-G125 VanDerWaalsContact OG-N 3.09Å; V123-G125 PolarHBondContact O-N 3.38Å; G125-S128 PolarHBondContact O-OG 3.11Å; G125-N241 WeakPolarHBondContact CA-OD1 3.28Å; G125-P242 WeakPolarHBondContact O-CG 3.43Å
126G93.8Very high89.8Confident10 Ų1015.6 Ų15.610%0.1039%0.092CC..G310 helixtrans60.2-150.4176.800000114.2A121 V123 S128 V129A121-G126 WeakPolarHBondContact CB-O 3.39Å; V123-G126 PolarHBondContact O-N 3.47Å; G126-S128 PolarHBondContact O-N 3.34Å; G126-V129 PolarHBondContact O-N 3.49Å
127N91.7Very high89.4Confident68 Ų6816.1 Ų16.136%0.36410%0.095SC..G310 helixtrans-59.2-11.6-173.9-77.15.3000115.2A121 V129 L130A121-N127 WeakPolarHBondContact CB-OD1 3.35Å; A121-N127 PolarHBondContact N-OD1 3.3Å; N127-V129 PolarHBondContact O-N 3.38Å; N127-V129 VanDerWaalsContact O-N 3.11Å; N127-L130 PolarHBondContact O-N 3.28Å; N127-L130 VanDerWaalsContact O-N 3.14Å
128S89Confident89.2Confident8 Ų816.1 Ų16.16%0.05610%0.097CC..G310 helixtrans-55.5-26.6175.364.10000113.5G125 G126 K239 P242G125-S128 PolarHBondContact O-OG 3.11Å; G126-S128 PolarHBondContact O-N 3.34Å; S128-K239 VanDerWaalsContact O-CD 3.27Å; S128-K239 WeakPolarHBondContact O-CD 3.37Å; S128-P242 VanDerWaalsContact CB-CD 3.48Å; S128-P242 WeakPolarHBondContact OG-CD 3.5Å
129V87.6Confident89Confident3 Ų316.2 Ų16.22%0.01810%0.097CC..G310 helixtrans-83-20.1-178.4-51.70000113.9P78 V95 V123 G126 N127 K239 N241P78-V129 HydrophobicContact CB-CG1 4.49Å; V95-V129 HydrophobicContact CG2-CG2 4.39Å; V123-V129 HydrophobicContact CG1-CG2 3.54Å; G126-V129 PolarHBondContact O-N 3.49Å; N127-V129 PolarHBondContact O-N 3.38Å; N127-V129 VanDerWaalsContact O-N 3.11Å; V129-K239 VanDerWaalsContact O-CD 3.31Å; V129-K239 WeakPolarHBondContact O-CD 3.48Å; V129-K239 PolarHBondContact O-NZ 2.88Å; V129-N241 WeakPolarHBondContact CG1-ND2 3.44Å
130L85.4Confident89Confident4 Ų415.8 Ų15.82%0.02110%0.099CC..THydrogen-bonded Turntrans-88.9-35.9-174.7-59.8179.9000112.5V95 E96 R119 A121 N127V95-L130 HydrophobicContact CG2-CD2 4.15Å; E96-L130 HydrophobicContact CG-CD1 3.79Å; E96-L130 HydrophobicContact CG-CD2 3.89Å; R119-L130 HydrophobicContact CB-CD1 4.24Å; R119-L130 PolarHBondContact NH2-O 2.95Å; A121-L130 HydrophobicContact CB-CD1 3.78Å; A121-L130 HydrophobicContact CB-CG 4.13Å; N127-L130 PolarHBondContact O-N 3.28Å; N127-L130 VanDerWaalsContact O-N 3.14Å
131G78Confident88.9Confident22 Ų2217.6 Ų17.623%0.22711%0.108CC..SBendtrans-74172.7-17400000114.7S133 K239G131-S133 PolarHBondContact O-N 2.87Å; G131-K239 WeakPolarHBondContact O-CE 3.42Å; G131-K239 PolarHBondContact O-NZ 2.69Å
132S79.9Confident88.9Confident19 Ų1917.2 Ų17.213%0.13310%0.104CC..  trans-671.5-174.4630000116.3D88 A134 T381 S382 T383D88-S132 WeakPolarHBondContact OD1-CA 3.15Å; D88-S132 PolarHBondContact OD1-N 3.08Å; S132-A134 PolarHBondContact O-N 3.37Å; S132-A134 VanDerWaalsContact O-N 3.13Å; S132-A134 VanDerWaalsContact OG-CB 3.31Å; S132-A134 WeakPolarHBondContact OG-CB 3.41Å; S132-A134 PolarHBondContact OG-N 3.02Å; S132-T381 VanDerWaalsContact O-CA 3.22Å; S132-T381 WeakPolarHBondContact O-CA 3.43Å; S132-T381 WeakPolarHBondContact O-CB 3.45Å; S132-T381 PolarHBondContact O-OG1 2.93Å; S132-S382 WeakPolarHBondContact CB-OG 3.46Å; S132-S382 PolarHBondContact O-N 3.32Å; S132-T383 WeakPolarHBondContact CB-OG1 3.31Å; S132-T383 PolarHBondContact OG-OG1 3.34Å; S132-T383 VanDerWaalsContact OG-OG1 3.04Å
133S84Confident88.9Confident10 Ų1014.2 Ų14.27%0.079%0.091CC..  trans61.18.8-168.5-36.90000114.4P85 G131 Y135 L233 K239P85-S133 WeakPolarHBondContact CA-OG 3.43Å; P85-S133 PolarHBondContact O-OG 2.85Å; G131-S133 PolarHBondContact O-N 2.87Å; S133-Y135 PolarHBondContact O-N 2.83Å; S133-L233 WeakPolarHBondContact O-CB 3.23Å; S133-L233 PolarHBondContact O-N 3.45Å; S133-K239 VanDerWaalsContact OG-CE 3.25Å; S133-K239 WeakPolarHBondContact OG-CE 3.38Å; S133-K239 WeakPolarHBondContact OG-CG 3.18Å
134A87.8Confident88.9Confident18 Ų1818.6 Ų18.615%0.14911%0.108CC..EExtended strand (participates in β ladder)trans-72.3127178.400000110.9S132 V136 P230 T381 T383S132-A134 PolarHBondContact O-N 3.37Å; S132-A134 VanDerWaalsContact O-N 3.13Å; S132-A134 VanDerWaalsContact OG-CB 3.31Å; S132-A134 WeakPolarHBondContact OG-CB 3.41Å; S132-A134 PolarHBondContact OG-N 3.02Å; A134-V136 PolarHBondContact O-N 2.95Å; A134-P230 HydrophobicContact CB-CB 3.95Å; A134-P230 HydrophobicContact CB-CG 4.03Å; A134-T381 WeakPolarHBondContact CA-OG1 3.48Å; A134-T381 WeakPolarHBondContact CB-OG1 3.32Å; A134-T381 PolarHBondContact N-OG1 3.47Å; A134-T383 HydrophobicContact CB-CG2 4.47Å
135Y87.5Confident88.9Confident14 Ų1423.1 Ų23.16%0.05513%0.125CC..EExtended strand (participates in β ladder)trans-81116.3169.5-176.9-109.2000110.5S133 P137 F163 L165 E218 R231 L233 A580S133-Y135 PolarHBondContact O-N 2.83Å; Y135-P137 HydrophobicContact CE1-CB 3.88Å; Y135-P137 HydrophobicContact CE1-CG 4.46Å; Y135-F163 PolarHBondContact OH-O 3.4Å; Y135-L165 HydrophobicContact CD1-CD1 3.3Å; Y135-L165 HydrophobicContact CD1-CG 4.19Å; Y135-L165 HydrophobicContact CD2-CD1 4.3Å; Y135-L165 HydrophobicContact CE1-CD1 3.44Å; Y135-L165 VanDerWaalsContact CE1-CD1 3.44Å; Y135-L165 HydrophobicContact CE1-CG 3.91Å; Y135-L165 HydrophobicContact CE2-CD1 4.4Å; Y135-L165 HydrophobicContact CE2-CD2 4.49Å; Y135-L165 HydrophobicContact CE2-CG 4.34Å; Y135-L165 HydrophobicContact CG-CD1 3.74Å; Y135-E218 HydrophobicContact CE1-CG 4.4Å; Y135-R231 PolarHBondContact N-O 2.81Å; Y135-L233 HydrophobicContact CD2-CD1 4.12Å; Y135-L233 HydrophobicContact CD2-CD2 3.72Å; Y135-L233 HydrophobicContact CD2-CG 4.24Å; Y135-L233 HydrophobicContact CG-CD2 4.08Å; Y135-L233 HydrophobicContact CG-CG 4.49Å; Y135-A580 HydrophobicContact CE2-CB 3.87Å
136V90Very high89Confident12 Ų1223.4 Ų23.47%0.07313%0.126CC..  trans-113.6126.2161.2-179.90000107A134 F222 F228 M388 G577A134-V136 PolarHBondContact O-N 2.95Å; V136-F222 HydrophobicContact CG1-CZ 4.24Å; V136-F228 HydrophobicContact CG2-CZ 4.44Å; V136-M388 HydrophobicContact CG1-CE 3.52Å; V136-G577 WeakPolarHBondContact O-CA 3.08Å; V136-G577 PolarHBondContact O-N 3.19Å
137P87.9Confident89.1Confident10 Ų1023.3 Ų23.37%0.06512%0.124CC..  trans-66.1165.6-178.125.8-32.3000111.7Y135 E218 I221 F222 G576 G577Y135-P137 HydrophobicContact CE1-CB 3.88Å; Y135-P137 HydrophobicContact CE1-CG 4.46Å; P137-E218 HydrophobicContact CG-CB 4.24Å; P137-I221 HydrophobicContact CG-CD1 3.76Å; P137-F222 HydrophobicContact CB-CE2 4.47Å; P137-F222 HydrophobicContact CG-CE2 3.92Å; P137-F222 HydrophobicContact CG-CZ 4.25Å; P137-F222 WeakPolarHBondContact O-CZ 3.41Å; P137-G576 CarbonylContact O-C 3.45Å; P137-G576 WeakPolarHBondContact O-CA 3.05Å; P137-G577 PolarHBondContact O-N 3.25Å
138C88.2Confident89.2Confident10 Ų1028.4 Ų28.47%0.06815%0.145CC..  trans-73.3141.9169.6-176.80000110.1P140 F143 L162 A580 T581C138-P140 WeakPolarHBondContact O-CD 3.39Å; C138-F143 WeakPolarHBondContact SG-CE2 3.09Å; C138-L162 HydrophobicContact CB-CD2 3.98Å; C138-A580 HydrophobicContact CB-CB 4.06Å; C138-T581 PolarHBondContact SG-OG1 2.95Å
139N90.5Very high89.5Confident2 Ų231.7 Ų31.71%0.01117%0.173CC..  trans-92.3110.7171.6-177.44.4000109.8D141 D142 F222N139-D141 PolarHBondContact O-N 2.88Å; N139-D141 VanDerWaalsContact O-N 3.16Å; N139-D141 WeakPolarHBondContact OD1-CB 3.45Å; N139-D141 PolarHBondContact OD1-N 2.89Å; N139-D141 VanDerWaalsContact OD1-N 3.09Å; N139-D142 WeakPolarHBondContact CB-OD2 3.31Å; N139-D142 VanDerWaalsContact O-CB 3.32Å; N139-D142 WeakPolarHBondContact O-CB 3.12Å; N139-D142 PolarHBondContact O-N 3.01Å; N139-F222 HydrophobicContact CB-CD1 4.12Å; N139-F222 HydrophobicContact CB-CD2 3.56Å; N139-F222 HydrophobicContact CB-CE1 4.22Å; N139-F222 HydrophobicContact CB-CE2 3.67Å; N139-F222 HydrophobicContact CB-CG 3.81Å; N139-F222 HydrophobicContact CB-CZ 4.02Å
140P88.2Confident89.8Confident27 Ų2733.5 Ų33.518%0.17518%0.184CC..Hα-helixtrans-59.2-26.9178.720.9-30.8000113.8C138 D142 F143 R144 D159 L162C138-P140 WeakPolarHBondContact O-CD 3.39Å; P140-D142 PolarHBondContact O-N 3.43Å; P140-F143 PolarHBondContact O-N 3.42Å; P140-R144 PolarHBondContact O-N 3.47Å; P140-D159 VanDerWaalsContact CB-OD1 3.24Å; P140-D159 WeakPolarHBondContact CB-OD1 3.46Å; P140-L162 HydrophobicContact CB-CD1 4.11Å; P140-L162 HydrophobicContact CG-CD1 4.19Å
141D90.5Very high90.2Very high60 Ų6035.9 Ų35.932%0.32121%0.209SC..Hα-helixtrans-66.3-24.6177.3-71-35.4000113N139 R144 R145N139-D141 PolarHBondContact O-N 2.88Å; N139-D141 VanDerWaalsContact O-N 3.16Å; N139-D141 WeakPolarHBondContact OD1-CB 3.45Å; N139-D141 PolarHBondContact OD1-N 2.89Å; N139-D141 VanDerWaalsContact OD1-N 3.09Å; D141-R144 PolarHBondContact O-N 3.38Å; D141-R144 IonicContact OD1-CZ 2.67Å; D141-R144 IonicContact OD1-NH1 2.61Å; D141-R144 PolarHBondContact OD1-NH1 2.78Å; D141-R145 WeakPolarHBondContact O-CB 3.43Å; D141-R145 VanDerWaalsContact O-CG 3.3Å; D141-R145 WeakPolarHBondContact O-CG 3.42Å; D141-R145 PolarHBondContact O-N 2.88Å
142D92.8Very high90.9Very high1 Ų135 Ų351%0.00520%0.2CC..Hα-helixtrans-57.3-51171.5-74.3-38.4000110.5N139 P140 R144 R145 W146 A574 T575 G576N139-D142 WeakPolarHBondContact CB-OD2 3.31Å; N139-D142 VanDerWaalsContact O-CB 3.32Å; N139-D142 WeakPolarHBondContact O-CB 3.12Å; N139-D142 PolarHBondContact O-N 3.01Å; P140-D142 PolarHBondContact O-N 3.43Å; D142-R144 VanDerWaalsContact C-N 3.35Å; D142-R144 PolarHBondContact O-N 2.84Å; D142-R145 PolarHBondContact O-N 2.81Å; D142-R145 IonicContact OD1-CZ 2.67Å; D142-R145 IonicContact OD1-NH2 3.19Å; D142-R145 PolarHBondContact OD1-NH2 2.91Å; D142-W146 HydrophobicContact CB-CD2 4.47Å; D142-W146 HydrophobicContact CB-CE3 4.32Å; D142-W146 HydrophobicContact CB-CH2 4.03Å; D142-W146 HydrophobicContact CB-CZ2 4.15Å; D142-W146 HydrophobicContact CB-CZ3 4.1Å; D142-W146 WeakPolarHBondContact O-CB 3.22Å; D142-W146 VanDerWaalsContact O-CD2 3.27Å; D142-W146 PolarHBondContact O-N 3.39Å; D142-A574 WeakPolarHBondContact OD2-CA 3.29Å; D142-T575 VanDerWaalsContact CG-N 3.27Å; D142-T575 PolarHBondContact OD1-N 3.41Å; D142-T575 VanDerWaalsContact OD1-N 3.12Å; D142-T575 PolarHBondContact OD1-OG1 2.62Å; D142-T575 PolarHBondContact OD2-N 3.3Å; D142-G576 PolarHBondContact OD2-N 2.85Å
143F93.8Very high91.5Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-65.1-38-179.1-63.4-71.3000112.5C138 P140 W146 A147 W155 M158 L162 F570 T581 A584C138-F143 WeakPolarHBondContact SG-CE2 3.09Å; P140-F143 PolarHBondContact O-N 3.42Å; F143-W146 AromaticContact CD1-CE3 3.75Å; F143-W146 HydrophobicContact CD1-CE3 3.75Å; F143-W146 AromaticContact CD1-CZ3 3.77Å; F143-W146 HydrophobicContact CD1-CZ3 3.77Å; F143-W146 HydrophobicContact CE1-CE3 4.29Å; F143-W146 AromaticContact CE1-CZ3 3.86Å; F143-W146 HydrophobicContact CE1-CZ3 3.86Å; F143-W146 HydrophobicContact CG-CE3 4.36Å; F143-W146 HydrophobicContact CG-CZ3 4.45Å; F143-W146 PolarHBondContact O-N 2.84Å; F143-A147 VanDerWaalsContact O-CB 3.27Å; F143-A147 WeakPolarHBondContact O-CB 3.06Å; F143-A147 PolarHBondContact O-N 3.36Å; F143-W155 VanDerWaalsContact CB-O 3.24Å; F143-W155 WeakPolarHBondContact CB-O 3.38Å; F143-W155 HydrophobicContact CD1-CD2 4.45Å; F143-W155 AromaticContact CD1-CE3 3.62Å; F143-W155 HydrophobicContact CD1-CE3 3.62Å; F143-W155 AromaticContact CD1-CZ3 3.89Å; F143-W155 HydrophobicContact CD1-CZ3 3.89Å; F143-W155 HydrophobicContact CE1-CE3 4.27Å; F143-W155 HydrophobicContact CE1-CZ3 4.15Å; F143-M158 HydrophobicContact CB-CB 3.87Å; F143-M158 HydrophobicContact CB-CG 3.75Å; F143-M158 HydrophobicContact CD1-CB 4.33Å; F143-M158 HydrophobicContact CD1-CE 4.11Å; F143-M158 HydrophobicContact CD1-CG 3.77Å; F143-M158 HydrophobicContact CD2-CB 3.51Å; F143-M158 HydrophobicContact CD2-CE 4.47Å; F143-M158 HydrophobicContact CD2-CG 3.9Å; F143-M158 HydrophobicContact CE1-CE 3.65Å; F143-M158 HydrophobicContact CE1-CG 4.29Å; F143-M158 HydrophobicContact CE2-CB 3.99Å; F143-M158 HydrophobicContact CE2-CE 3.97Å; F143-M158 HydrophobicContact CE2-CG 4.34Å; F143-M158 HydrophobicContact CG-CB 3.69Å; F143-M158 HydrophobicContact CG-CG 3.57Å; F143-M158 HydrophobicContact CZ-CE 3.57Å; F143-L162 HydrophobicContact CE2-CD2 4.39Å; F143-F570 HydrophobicContact CE1-CE1 4.49Å; F143-T581 HydrophobicContact CE1-CG2 4.25Å; F143-T581 HydrophobicContact CE2-CG2 4.43Å; F143-T581 HydrophobicContact CZ-CG2 3.74Å; F143-A584 HydrophobicContact CE2-CB 4.21Å; F143-A584 HydrophobicContact CZ-CB 4.11Å
144R94Very high91.6Very high93 Ų9342.8 Ų42.835%0.35124%0.235SC..Hα-helixtrans-63.6-45175.2-64.5178.7-168.2130.24.4111.7P140 D141 D142 A147 H148 D159P140-R144 PolarHBondContact O-N 3.47Å; D141-R144 PolarHBondContact O-N 3.38Å; D141-R144 IonicContact OD1-CZ 2.67Å; D141-R144 IonicContact OD1-NH1 2.61Å; D141-R144 PolarHBondContact OD1-NH1 2.78Å; D142-R144 VanDerWaalsContact C-N 3.35Å; D142-R144 PolarHBondContact O-N 2.84Å; R144-A147 PolarHBondContact O-N 3.36Å; R144-H148 WeakPolarHBondContact O-CB 3.33Å; R144-H148 PolarHBondContact O-N 3.01Å; R144-D159 IonicContact CZ-OD1 3.95Å; R144-D159 IonicContact CZ-OD2 3.9Å; R144-D159 IonicContact NE-OD2 3.95Å; R144-D159 IonicContact NH2-OD1 3.33Å; R144-D159 PolarHBondContact NH2-OD1 2.88Å; R144-D159 IonicContact NH2-OD2 3.68Å; R144-D159 PolarHBondContact NH2-OD2 2.64Å
145R93.1Very high91.8Very high95 Ų9541.9 Ų41.936%0.35823%0.228SC..Hα-helixtrans-62.4-43.4176-73.5-173.3-61.7-11811.2111.5D141 D142 H148 A149 S396 T575D141-R145 WeakPolarHBondContact O-CB 3.43Å; D141-R145 VanDerWaalsContact O-CG 3.3Å; D141-R145 WeakPolarHBondContact O-CG 3.42Å; D141-R145 PolarHBondContact O-N 2.88Å; D142-R145 PolarHBondContact O-N 2.81Å; D142-R145 IonicContact OD1-CZ 2.67Å; D142-R145 IonicContact OD1-NH2 3.19Å; D142-R145 PolarHBondContact OD1-NH2 2.91Å; R145-H148 PolarHBondContact O-N 3.31Å; R145-A149 VanDerWaalsContact O-CB 3.31Å; R145-A149 WeakPolarHBondContact O-CB 3.27Å; R145-A149 PolarHBondContact O-N 3.26Å; R145-S396 PolarHBondContact NH1-OG 3.05Å; R145-S396 VanDerWaalsContact NH1-OG 3.14Å; R145-T575 PolarHBondContact NH2-OG1 2.96Å
146W95.1Very high92Very high6 Ų643.4 Ų43.42%0.02324%0.243CC..Hα-helixtrans-64.9-41.8176.1-66-26.7000112.7D142 F143 H148 A149 T150 W155 F570 P571 T572 A574 T581D142-W146 HydrophobicContact CB-CD2 4.47Å; D142-W146 HydrophobicContact CB-CE3 4.32Å; D142-W146 HydrophobicContact CB-CH2 4.03Å; D142-W146 HydrophobicContact CB-CZ2 4.15Å; D142-W146 HydrophobicContact CB-CZ3 4.1Å; D142-W146 WeakPolarHBondContact O-CB 3.22Å; D142-W146 VanDerWaalsContact O-CD2 3.27Å; D142-W146 PolarHBondContact O-N 3.39Å; F143-W146 AromaticContact CD1-CE3 3.75Å; F143-W146 HydrophobicContact CD1-CE3 3.75Å; F143-W146 AromaticContact CD1-CZ3 3.77Å; F143-W146 HydrophobicContact CD1-CZ3 3.77Å; F143-W146 HydrophobicContact CE1-CE3 4.29Å; F143-W146 AromaticContact CE1-CZ3 3.86Å; F143-W146 HydrophobicContact CE1-CZ3 3.86Å; F143-W146 HydrophobicContact CG-CE3 4.36Å; F143-W146 HydrophobicContact CG-CZ3 4.45Å; F143-W146 PolarHBondContact O-N 2.84Å; W146-H148 VanDerWaalsContact C-N 3.35Å; W146-H148 PolarHBondContact O-N 2.96Å; W146-A149 PolarHBondContact O-N 2.91Å; W146-T150 WeakPolarHBondContact O-CB 3.47Å; W146-T150 WeakPolarHBondContact O-CG2 3.43Å; W146-T150 PolarHBondContact O-N 3.16Å; W146-T150 PolarHBondContact O-OG1 2.58Å; W146-W155 HydrophobicContact CB-CE3 4.31Å; W146-W155 HydrophobicContact CD2-CZ3 4.44Å; W146-W155 AromaticContact CE3-CE3 3.9Å; W146-W155 HydrophobicContact CE3-CE3 3.9Å; W146-W155 AromaticContact CE3-CZ3 3.57Å; W146-W155 HydrophobicContact CE3-CZ3 3.57Å; W146-W155 HydrophobicContact CZ3-CZ3 4.06Å; W146-F570 HydrophobicContact CE3-CD1 4.17Å; W146-F570 HydrophobicContact CH2-CB 3.91Å; W146-F570 AromaticContact CH2-CD1 3.69Å; W146-F570 HydrophobicContact CH2-CD1 3.69Å; W146-F570 HydrophobicContact CH2-CD2 4.18Å; W146-F570 HydrophobicContact CH2-CE1 4.22Å; W146-F570 AromaticContact CH2-CG 3.67Å; W146-F570 HydrophobicContact CH2-CG 3.67Å; W146-F570 HydrophobicContact CZ2-CB 3.92Å; W146-F570 HydrophobicContact CZ2-CG 4.2Å; W146-F570 HydrophobicContact CZ3-CB 4.35Å; W146-F570 AromaticContact CZ3-CD1 3.5Å; W146-F570 HydrophobicContact CZ3-CD1 3.5Å; W146-F570 AromaticContact CZ3-CE1 3.9Å; W146-F570 HydrophobicContact CZ3-CE1 3.9Å; W146-F570 AromaticContact CZ3-CG 3.99Å; W146-F570 HydrophobicContact CZ3-CG 3.99Å; W146-P571 HydrophobicContact CB-CG 3.87Å; W146-P571 HydrophobicContact CG-CB 4.46Å; W146-P571 HydrophobicContact CG-CG 3.81Å; W146-T572 VanDerWaalsContact CZ2-O 3.29Å; W146-T572 WeakPolarHBondContact CZ2-O 3.27Å; W146-T572 PolarHBondContact NE1-OG1 3.15Å; W146-A574 HydrophobicContact CH2-CB 3.86Å; W146-A574 HydrophobicContact CZ2-CB 4.16Å; W146-T581 HydrophobicContact CH2-CG2 4.39Å; W146-T581 HydrophobicContact CZ3-CG2 4.41Å
147A95.5Very high91.9Very high8 Ų845.8 Ų45.87%0.06626%0.256CS..Hα-helixtrans-58.3-47.8174.600000111F143 R144 G151 A152 W155 A156F143-A147 VanDerWaalsContact O-CB 3.27Å; F143-A147 WeakPolarHBondContact O-CB 3.06Å; F143-A147 PolarHBondContact O-N 3.36Å; R144-A147 PolarHBondContact O-N 3.36Å; A147-G151 WeakPolarHBondContact O-CA 3.48Å; A147-G151 PolarHBondContact O-N 2.79Å; A147-A152 WeakPolarHBondContact CA-O 3.43Å; A147-A152 WeakPolarHBondContact CB-O 3.32Å; A147-A152 PolarHBondContact O-N 2.89Å; A147-W155 HydrophobicContact CB-CB 3.93Å; A147-A156 HydrophobicContact CB-CB 4.04Å
148H94.6Very high91.9Very high175 Ų17545.3 Ų45.381%0.8125%0.253SS*.Hα-helixtrans-62.2-46.6176.9-179.8-89.5000112.1R144 R145 W146 T150R144-H148 WeakPolarHBondContact O-CB 3.33Å; R144-H148 PolarHBondContact O-N 3.01Å; R145-H148 PolarHBondContact O-N 3.31Å; W146-H148 VanDerWaalsContact C-N 3.35Å; W146-H148 PolarHBondContact O-N 2.96Å; H148-T150 VanDerWaalsContact C-N 3.34Å; H148-T150 PolarHBondContact O-N 3.16Å
149A94.3Very high91.7Very high76 Ų7648.2 Ų48.263%0.62827%0.267SS*.Hα-helixtrans-69.9-27.5-176.400000114R145 W146R145-A149 VanDerWaalsContact O-CB 3.31Å; R145-A149 WeakPolarHBondContact O-CB 3.27Å; R145-A149 PolarHBondContact O-N 3.26Å; W146-A149 PolarHBondContact O-N 2.91Å
150T94.9Very high91.4Very high42 Ų4256.2 Ų56.226%0.25830%0.297SS..Hα-helixtrans-112.7-12-173.563.60000114.5W146 H148 A152 I546 P571W146-T150 WeakPolarHBondContact O-CB 3.47Å; W146-T150 WeakPolarHBondContact O-CG2 3.43Å; W146-T150 PolarHBondContact O-N 3.16Å; W146-T150 PolarHBondContact O-OG1 2.58Å; H148-T150 VanDerWaalsContact C-N 3.34Å; H148-T150 PolarHBondContact O-N 3.16Å; T150-A152 VanDerWaalsContact C-N 3.25Å; T150-A152 VanDerWaalsContact OG1-CB 3.32Å; T150-A152 WeakPolarHBondContact OG1-CB 3.48Å; T150-A152 PolarHBondContact OG1-N 3.09Å; T150-I546 HydrophobicContact CG2-CG2 4.13Å; T150-P571 HydrophobicContact CG2-CB 4.02Å; T150-P571 HydrophobicContact CG2-CG 3.49Å; T150-P571 VanDerWaalsContact CG2-CG 3.49Å
151G94.3Very high91.2Very high53 Ų5356.8 Ų56.855%0.54630%0.296SS..  trans777.4-17200000114.2A147 K153A147-G151 WeakPolarHBondContact O-CA 3.48Å; A147-G151 PolarHBondContact O-N 2.79Å; G151-K153 PolarHBondContact O-N 2.76Å
152A92.7Very high90.7Very high4 Ų456.1 Ų56.13%0.03329%0.292CS..  trans-72.672.7175.200000111A147 T150 G154 W155 I546 D552A147-A152 WeakPolarHBondContact CA-O 3.43Å; A147-A152 WeakPolarHBondContact CB-O 3.32Å; A147-A152 PolarHBondContact O-N 2.89Å; T150-A152 VanDerWaalsContact C-N 3.25Å; T150-A152 VanDerWaalsContact OG1-CB 3.32Å; T150-A152 WeakPolarHBondContact OG1-CB 3.48Å; T150-A152 PolarHBondContact OG1-N 3.09Å; A152-G154 PolarHBondContact O-N 3.38Å; A152-G154 VanDerWaalsContact O-N 3.17Å; A152-W155 HydrophobicContact CB-CG 4.19Å; A152-W155 WeakPolarHBondContact O-CB 3.12Å; A152-W155 PolarHBondContact O-N 3.38Å; A152-I546 HydrophobicContact CB-CD1 3.43Å; A152-I546 VanDerWaalsContact CB-CD1 3.43Å; A152-I546 HydrophobicContact CB-CG1 4.01Å; A152-D552 VanDerWaalsContact C-OD1 3.24Å; A152-D552 VanDerWaalsContact CA-OD1 3.27Å; A152-D552 WeakPolarHBondContact CA-OD1 3.04Å; A152-D552 HydrophobicContact CB-CB 4.49Å; A152-D552 VanDerWaalsContact CB-OD1 3.3Å; A152-D552 WeakPolarHBondContact CB-OD1 3.27Å
153K91.3Very high89.5Confident174 Ų17456.8 Ų56.876%0.75730%0.295SS*.G310 helixtrans-56.9-35.2-170-66.8-176.5-179-178.50113G151 W155 A156G151-K153 PolarHBondContact O-N 2.76Å; K153-W155 PolarHBondContact O-N 3.15Å; K153-W155 VanDerWaalsContact O-N 3.09Å; K153-A156 WeakPolarHBondContact O-CB 3.38Å; K153-A156 PolarHBondContact O-N 3.09Å; K153-A156 VanDerWaalsContact O-N 3.09Å
154G87.5Confident87.9Confident18 Ų1864.4 Ų64.419%0.18633%0.328CS..G310 helixtrans-71.53179.100000114.7A152 D552 R588A152-G154 PolarHBondContact O-N 3.38Å; A152-G154 VanDerWaalsContact O-N 3.17Å; G154-D552 PolarHBondContact N-OD1 2.95Å; G154-D552 PolarHBondContact N-OD2 2.69Å; G154-D552 VanDerWaalsContact N-OD2 3.15Å; G154-R588 VanDerWaalsContact O-CZ 3.28Å; G154-R588 PolarHBondContact O-NE 2.87Å; G154-R588 PolarHBondContact O-NH2 3.25Å
155W91.9Very high86.2Confident0 Ų061 Ų610%032%0.317CS..G310 helixtrans-94-11.4170.1-74.348.6000112.5F143 W146 A147 A152 K153 D157 M158 I546 L554 V569 F570 L585 R588F143-W155 VanDerWaalsContact CB-O 3.24Å; F143-W155 WeakPolarHBondContact CB-O 3.38Å; F143-W155 HydrophobicContact CD1-CD2 4.45Å; F143-W155 AromaticContact CD1-CE3 3.62Å; F143-W155 HydrophobicContact CD1-CE3 3.62Å; F143-W155 AromaticContact CD1-CZ3 3.89Å; F143-W155 HydrophobicContact CD1-CZ3 3.89Å; F143-W155 HydrophobicContact CE1-CE3 4.27Å; F143-W155 HydrophobicContact CE1-CZ3 4.15Å; W146-W155 HydrophobicContact CB-CE3 4.31Å; W146-W155 HydrophobicContact CD2-CZ3 4.44Å; W146-W155 AromaticContact CE3-CE3 3.9Å; W146-W155 HydrophobicContact CE3-CE3 3.9Å; W146-W155 AromaticContact CE3-CZ3 3.57Å; W146-W155 HydrophobicContact CE3-CZ3 3.57Å; W146-W155 HydrophobicContact CZ3-CZ3 4.06Å; A147-W155 HydrophobicContact CB-CB 3.93Å; A152-W155 HydrophobicContact CB-CG 4.19Å; A152-W155 WeakPolarHBondContact O-CB 3.12Å; A152-W155 PolarHBondContact O-N 3.38Å; K153-W155 PolarHBondContact O-N 3.15Å; K153-W155 VanDerWaalsContact O-N 3.09Å; W155-D157 PolarHBondContact O-N 3.43Å; W155-M158 WeakPolarHBondContact O-CG 3.36Å; W155-I546 HydrophobicContact CD2-CD1 4.08Å; W155-I546 HydrophobicContact CG-CD1 4.44Å; W155-I546 HydrophobicContact CH2-CD1 4.45Å; W155-I546 HydrophobicContact CZ2-CD1 3.52Å; W155-L554 HydrophobicContact CZ2-CD2 3.69Å; W155-V569 HydrophobicContact CH2-CG2 3.86Å; W155-V569 HydrophobicContact CZ2-CG2 4.17Å; W155-F570 AromaticContact CH2-CD1 3.86Å; W155-F570 HydrophobicContact CH2-CD1 3.86Å; W155-F570 HydrophobicContact CH2-CE1 4.15Å; W155-F570 AromaticContact CZ3-CD1 3.87Å; W155-F570 HydrophobicContact CZ3-CD1 3.87Å; W155-F570 HydrophobicContact CZ3-CE1 4.25Å; W155-L585 HydrophobicContact CH2-CD1 3.67Å; W155-L585 HydrophobicContact CZ2-CD1 3.59Å; W155-L585 HydrophobicContact CZ3-CD1 4.48Å; W155-R588 VanDerWaalsContact NE1-NH1 3.17Å
156A91.4Very high84.2Confident46 Ų4658 Ų5838%0.3831%0.311SS..THydrogen-bonded Turntrans-71.8-18.8-179.400000113.5A147 K153A147-A156 HydrophobicContact CB-CB 4.04Å; K153-A156 WeakPolarHBondContact O-CB 3.38Å; K153-A156 PolarHBondContact O-N 3.09Å; K153-A156 VanDerWaalsContact O-N 3.09Å
157D87.1Confident82Confident61 Ų6161.6 Ų61.633%0.32634%0.341SS..THydrogen-bonded Turntrans-111.928.8-174.563.8-25.6000113.3W155 D159 R160W155-D157 PolarHBondContact O-N 3.43Å; D157-D159 PolarHBondContact O-N 2.98Å; D157-R160 PolarHBondContact O-NE 3.36Å; D157-R160 IonicContact OD2-CZ 3.78Å; D157-R160 VanDerWaalsContact OD2-CZ 3.31Å; D157-R160 IonicContact OD2-NE 3.98Å; D157-R160 IonicContact OD2-NH2 3.32Å; D157-R160 PolarHBondContact OD2-NH2 3.4Å
158M88.6Confident79.6Confident1 Ų162.8 Ų62.81%0.00535%0.348CS..G310 helixtrans-65.9-12.9179.4-74.8-66.2-70.400114.5F143 W155 R160 Y161 L162 A584 R588F143-M158 HydrophobicContact CB-CB 3.87Å; F143-M158 HydrophobicContact CB-CG 3.75Å; F143-M158 HydrophobicContact CD1-CB 4.33Å; F143-M158 HydrophobicContact CD1-CE 4.11Å; F143-M158 HydrophobicContact CD1-CG 3.77Å; F143-M158 HydrophobicContact CD2-CB 3.51Å; F143-M158 HydrophobicContact CD2-CE 4.47Å; F143-M158 HydrophobicContact CD2-CG 3.9Å; F143-M158 HydrophobicContact CE1-CE 3.65Å; F143-M158 HydrophobicContact CE1-CG 4.29Å; F143-M158 HydrophobicContact CE2-CB 3.99Å; F143-M158 HydrophobicContact CE2-CE 3.97Å; F143-M158 HydrophobicContact CE2-CG 4.34Å; F143-M158 HydrophobicContact CG-CB 3.69Å; F143-M158 HydrophobicContact CG-CG 3.57Å; F143-M158 HydrophobicContact CZ-CE 3.57Å; W155-M158 WeakPolarHBondContact O-CG 3.36Å; M158-R160 PolarHBondContact O-N 2.96Å; M158-R160 VanDerWaalsContact O-N 3.08Å; M158-Y161 HydrophobicContact CE-CD2 4.44Å; M158-Y161 PolarHBondContact O-N 2.82Å; M158-Y161 HydrophobicContact SD-CD2 3.77Å; M158-Y161 HydrophobicContact SD-CE2 4.41Å; M158-L162 PolarHBondContact O-N 3.4Å; M158-A584 VanDerWaalsContact CE-C 3.49Å; M158-A584 HydrophobicContact CE-CB 4.05Å; M158-A584 WeakPolarHBondContact CE-O 3.37Å; M158-R588 HydrophobicContact CE-CB 4.26Å; M158-R588 HydrophobicContact SD-CB 3.95Å; M158-R588 WeakPolarHBondContact SD-CD 3.13Å; M158-R588 HydrophobicContact SD-CG 4.19Å
159D83.5Confident77.2Confident70 Ų7061.3 Ų61.337%0.37434%0.341SS..G310 helixtrans-50.9-34.9178.1-65.4-82000113.1P140 R144 D157 Y161 L162P140-D159 VanDerWaalsContact CB-OD1 3.24Å; P140-D159 WeakPolarHBondContact CB-OD1 3.46Å; R144-D159 IonicContact CZ-OD1 3.95Å; R144-D159 IonicContact CZ-OD2 3.9Å; R144-D159 IonicContact NE-OD2 3.95Å; R144-D159 IonicContact NH2-OD1 3.33Å; R144-D159 PolarHBondContact NH2-OD1 2.88Å; R144-D159 IonicContact NH2-OD2 3.68Å; R144-D159 PolarHBondContact NH2-OD2 2.64Å; D157-D159 PolarHBondContact O-N 2.98Å; D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 3.49Å; D159-L162 WeakPolarHBondContact O-CG 3.24Å; D159-L162 PolarHBondContact O-N 3.37Å
160R83.4Confident74.7Confident170 Ų17062 Ų6264%0.64233%0.334SS*.G310 helixtrans-71.6-18.5179.776.2-174.677-170.53.3114.2D157 M158D157-R160 PolarHBondContact O-NE 3.36Å; D157-R160 IonicContact OD2-CZ 3.78Å; D157-R160 VanDerWaalsContact OD2-CZ 3.31Å; D157-R160 IonicContact OD2-NE 3.98Å; D157-R160 IonicContact OD2-NH2 3.32Å; D157-R160 PolarHBondContact OD2-NH2 3.4Å; M158-R160 PolarHBondContact O-N 2.96Å; M158-R160 VanDerWaalsContact O-N 3.08Å
161Y85.8Confident72Confident40 Ų4063.4 Ų63.416%0.15735%0.347CS..G310 helixtrans-102.4-4.2-179.1-58.8-64.9000112.6M158 D159 F163 A584 N587 R588 D591M158-Y161 HydrophobicContact CE-CD2 4.44Å; M158-Y161 PolarHBondContact O-N 2.82Å; M158-Y161 HydrophobicContact SD-CD2 3.77Å; M158-Y161 HydrophobicContact SD-CE2 4.41Å; D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 3.49Å; Y161-F163 PolarHBondContact O-N 2.69Å; Y161-A584 WeakPolarHBondContact CB-O 3.46Å; Y161-A584 WeakPolarHBondContact O-CA 3.36Å; Y161-N587 HydrophobicContact CD1-CB 3.92Å; Y161-N587 HydrophobicContact CG-CB 4.38Å; Y161-R588 HydrophobicContact CD1-CB 4.33Å; Y161-R588 HydrophobicContact CD2-CB 3.64Å; Y161-R588 HydrophobicContact CD2-CG 4.19Å; Y161-R588 HydrophobicContact CE1-CB 4.29Å; Y161-R588 HydrophobicContact CE2-CB 3.6Å; Y161-R588 HydrophobicContact CE2-CG 3.71Å; Y161-R588 HydrophobicContact CG-CB 4Å; Y161-D591 WeakPolarHBondContact CE1-OD2 3.4Å
162L78.4Confident69.4Low45 Ų4567.2 Ų67.224%0.23635%0.348CS..PPolyproline II helixtrans-59.3129.1176.7-59.8179.6000109.6C138 P140 F143 M158 D159 K164 A584C138-L162 HydrophobicContact CB-CD2 3.98Å; P140-L162 HydrophobicContact CB-CD1 4.11Å; P140-L162 HydrophobicContact CG-CD1 4.19Å; F143-L162 HydrophobicContact CE2-CD2 4.39Å; M158-L162 PolarHBondContact O-N 3.4Å; D159-L162 WeakPolarHBondContact O-CG 3.24Å; D159-L162 PolarHBondContact O-N 3.37Å; L162-K164 PolarHBondContact O-N 2.59Å; L162-A584 HydrophobicContact CD2-CB 4.33Å
163F67.9Low67Low15 Ų1568.2 Ų68.27%0.06635%0.352CS..PPolyproline II helixtrans-66.1126.2173.5-165.6-85.9000108.6Y135 Y161 L165 M184 I187 L583Y135-F163 PolarHBondContact OH-O 3.4Å; Y161-F163 PolarHBondContact O-N 2.69Å; F163-L165 HydrophobicContact CD1-CD2 4.35Å; F163-L165 HydrophobicContact CE1-CD2 3.84Å; F163-L165 HydrophobicContact CE1-CG 4.46Å; F163-M184 WeakPolarHBondContact CD2-O 3.32Å; F163-M184 WeakPolarHBondContact CE2-O 3.25Å; F163-M184 WeakPolarHBondContact CZ-O 3.15Å; F163-I187 HydrophobicContact CZ-CD1 3.99Å; F163-L583 HydrophobicContact CD2-CD1 3.96Å; F163-L583 HydrophobicContact CE2-CD1 4.22Å; F163-L583 HydrophobicContact CG-CD1 4.38Å
164K60.4Low64.5Low160 Ų16066.8 Ų66.870%0.69635%0.35SS*.PPolyproline II helixtrans-102.7122.9167.9-69-174.6179.6-177.40107L162 S166 N185L162-K164 PolarHBondContact O-N 2.59Å; K164-S166 PolarHBondContact O-N 2.88Å; K164-N185 PolarHBondContact O-OD1 3.17Å
165L59.6Low62.2Low23 Ų2375.1 Ų75.112%0.1238%0.381CS..PPolyproline II helixtrans-60.6126.6168-70.8174000108.3Y135 F163 I187 E218 R231 L233Y135-L165 HydrophobicContact CD1-CD1 3.3Å; Y135-L165 HydrophobicContact CD1-CG 4.19Å; Y135-L165 HydrophobicContact CD2-CD1 4.3Å; Y135-L165 HydrophobicContact CE1-CD1 3.44Å; Y135-L165 VanDerWaalsContact CE1-CD1 3.44Å; Y135-L165 HydrophobicContact CE1-CG 3.91Å; Y135-L165 HydrophobicContact CE2-CD1 4.4Å; Y135-L165 HydrophobicContact CE2-CD2 4.49Å; Y135-L165 HydrophobicContact CE2-CG 4.34Å; Y135-L165 HydrophobicContact CG-CD1 3.74Å; F163-L165 HydrophobicContact CD1-CD2 4.35Å; F163-L165 HydrophobicContact CE1-CD2 3.84Å; F163-L165 HydrophobicContact CE1-CG 4.46Å; L165-I187 WeakPolarHBondContact CD2-O 3.37Å; L165-E218 WeakPolarHBondContact CD1-OE1 3.26Å; L165-R231 HydrophobicContact CD1-CB 4.4Å; L165-L233 HydrophobicContact CD2-CD2 4.23Å
166S50.3Low59.7Low32 Ų3279.2 Ų79.222%0.22441%0.406CS..BIsolated β-bridgetrans-112.7137.5162.886.40000108.7K164 T168 N185K164-S166 PolarHBondContact O-N 2.88Å; S166-T168 PolarHBondContact O-N 3.16Å; S166-N185 CarbonylContact C-O 3.59Å; S166-N185 WeakPolarHBondContact CA-O 3.23Å; S166-N185 WeakPolarHBondContact CB-O 3.33Å; S166-N185 PolarHBondContact N-O 3.09Å; S166-N185 VanDerWaalsContact OG-C 3.26Å; S166-N185 VanDerWaalsContact OG-CB 3.27Å; S166-N185 WeakPolarHBondContact OG-CB 3.45Å; S166-N185 PolarHBondContact OG-O 3.33Å
167A49.1Very low57.7Low80 Ų8083.6 Ų83.666%0.66142%0.422SS*.  trans-73.6112.6162.600000107.7F188A167-F188 HydrophobicContact CB-CD1 4.34Å; A167-F188 HydrophobicContact CB-CE1 4.36Å
168T45.6Very low56Low34 Ų3482.1 Ų82.121%0.20941%0.414CS..  trans-103.7122.2164.337.50000108.5S166 V186S166-T168 PolarHBondContact O-N 3.16Å; T168-V186 HydrophobicContact CG2-CG2 3.87Å; T168-V186 WeakPolarHBondContact OG1-CG2 3.12Å
169E43Very low54.3Low143 Ų14384.5 Ų84.567%0.66843%0.431SS*.  trans-59.3137.3169.9-64.5176.4175.600110.6S171 K172E169-S171 PolarHBondContact O-N 3.28Å; E169-K172 PolarHBondContact O-N 3.22Å
170D41.4Very low52.8Low90 Ų9083.8 Ų83.848%0.48143%0.427SS..Hα-helixtrans-49.4-31.5-179-85.1-36.6000113.5K172 M173 M174D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 3.42Å; D170-M173 PolarHBondContact O-N 3.39Å; D170-M174 PolarHBondContact O-N 3.43Å
171S38Very low51.3Low73 Ų7384.6 Ų84.651%0.5143%0.43SS..Hα-helixtrans-62.4-34.3-179.371.80000113.1E169E169-S171 PolarHBondContact O-N 3.28Å
172K40.8Very low49.7Very low133 Ų13385.5 Ų85.558%0.57844%0.437SS*.Hα-helixtrans-76.9-32176.9-79.1-178.8178.2173.10112.1E169 D170 T176E169-K172 PolarHBondContact O-N 3.22Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 3.42Å; K172-T176 WeakPolarHBondContact O-CB 3.38Å; K172-T176 PolarHBondContact O-N 3Å; K172-T176 PolarHBondContact O-OG1 2.83Å
173M42.3Very low48.4Very low25 Ų2583.9 Ų83.912%0.12343%0.429CS..Hα-helixtrans-73.6-32.3-174.8-152.2-179.969.800112.7D170 L178 V186 Y235 R236D170-M173 PolarHBondContact O-N 3.39Å; M173-L178 HydrophobicContact CG-CD1 3.79Å; M173-L178 HydrophobicContact CG-CD2 4.12Å; M173-L178 HydrophobicContact CG-CG 4.41Å; M173-V186 HydrophobicContact SD-CG1 3.65Å; M173-Y235 HydrophobicContact CE-CD2 4.14Å; M173-Y235 HydrophobicContact CE-CE2 3.44Å; M173-Y235 VanDerWaalsContact CE-CE2 3.44Å; M173-Y235 HydrophobicContact SD-CD2 4.24Å; M173-Y235 HydrophobicContact SD-CE2 3.64Å; M173-R236 HydrophobicContact CE-CG 4.28Å
174M39Very low47.5Very low143 Ų14385.8 Ų85.870%0.70444%0.438SS*.Hα-helixtrans-83.7-27.5179.2-76.3-166-76.800114.7D170D170-M174 PolarHBondContact O-N 3.43Å
175K39.8Very low46.9Very low194 Ų19480 Ų8084%0.84342%0.415SS*.Hα-helixtrans-104.7-11.2-171.8-72.2-174.4176.4-179.80115.3
176T38Very low46.4Very low86 Ų8679.1 Ų79.153%0.52841%0.411SS..SBendtrans-119.5143.1-172.2-17.40000111.1K172 L178K172-T176 WeakPolarHBondContact O-CB 3.38Å; K172-T176 PolarHBondContact O-N 3Å; K172-T176 PolarHBondContact O-OG1 2.83Å; T176-L178 VanDerWaalsContact C-N 3.3Å; T176-L178 PolarHBondContact O-N 3.31Å
177I49.7Very low46.4Very low137 Ų13777.8 Ų77.870%0.70340%0.401SS*.  trans-61.599.8163.1-62.2173.3000106S179I177-S179 PolarHBondContact O-N 3.32Å
178L50.8Low46.4Very low31 Ų3175.3 Ų75.316%0.16238%0.376CS..  trans-53.3118.8173.6-67.4170.9000108.1M173 T176 D182 L183 V186M173-L178 HydrophobicContact CG-CD1 3.79Å; M173-L178 HydrophobicContact CG-CD2 4.12Å; M173-L178 HydrophobicContact CG-CG 4.41Å; T176-L178 VanDerWaalsContact C-N 3.3Å; T176-L178 PolarHBondContact O-N 3.31Å; L178-D182 HydrophobicContact CB-CB 4.22Å; L178-D182 HydrophobicContact CD2-CB 3.87Å; L178-L183 HydrophobicContact CB-CD2 4.14Å; L178-L183 HydrophobicContact CB-CG 3.94Å; L178-L183 HydrophobicContact CD1-CD2 3.71Å; L178-L183 HydrophobicContact CD1-CG 4.41Å; L178-V186 HydrophobicContact CD2-CG2 4.17Å
179S53.5Low46.4Very low51 Ų5176.9 Ų76.936%0.35738%0.379SS..  trans-63.9160.1171.972.50000108.9I177 R181 D182 L183I177-S179 PolarHBondContact O-N 3.32Å; S179-R181 PolarHBondContact O-N 3.38Å; S179-R181 VanDerWaalsContact O-N 3.13Å; S179-R181 PolarHBondContact OG-N 3.24Å; S179-D182 VanDerWaalsContact CB-OD2 3.25Å; S179-D182 WeakPolarHBondContact CB-OD2 3.3Å; S179-D182 PolarHBondContact N-OD2 2.81Å; S179-D182 PolarHBondContact O-N 3.28Å; S179-D182 PolarHBondContact OG-N 3.09Å; S179-D182 PolarHBondContact OG-OD2 2.79Å; S179-L183 PolarHBondContact O-N 3.15Å
180N52Low46.6Very low54 Ų5476.9 Ų76.929%0.28938%0.379SS..Hα-helixtrans-57.6-27.8172.3-72.1-22.9000111.4M184N180-M184 WeakPolarHBondContact O-CB 3.21Å; N180-M184 WeakPolarHBondContact O-CG 3.01Å; N180-M184 PolarHBondContact O-N 3.11Å
181R51.7Low47Very low188 Ų18873.9 Ų73.971%0.70936%0.363SS*.Hα-helixtrans-71.7-36.8174.9-159.7178.6-171.6178.92111.9S179 M184 N185S179-R181 PolarHBondContact O-N 3.38Å; S179-R181 VanDerWaalsContact O-N 3.13Å; S179-R181 PolarHBondContact OG-N 3.24Å; R181-M184 WeakPolarHBondContact O-CB 3.46Å; R181-M184 PolarHBondContact O-N 2.95Å; R181-N185 VanDerWaalsContact O-CB 3.28Å; R181-N185 WeakPolarHBondContact O-CB 2.92Å; R181-N185 PolarHBondContact O-N 2.89Å; R181-N185 PolarHBondContact O-ND2 2.71Å
182D51.8Low47.4Very low59 Ų5975 Ų7532%0.31637%0.371SS..Hα-helixtrans-68.9-43.7173.8-55.1-46.3000110.3L178 S179 M184 N185 V186L178-D182 HydrophobicContact CB-CB 4.22Å; L178-D182 HydrophobicContact CD2-CB 3.87Å; S179-D182 VanDerWaalsContact CB-OD2 3.25Å; S179-D182 WeakPolarHBondContact CB-OD2 3.3Å; S179-D182 PolarHBondContact N-OD2 2.81Å; S179-D182 PolarHBondContact O-N 3.28Å; S179-D182 PolarHBondContact OG-N 3.09Å; S179-D182 PolarHBondContact OG-OD2 2.79Å; D182-M184 PolarHBondContact O-N 3.33Å; D182-N185 CarbonylContact O-C 3.45Å; D182-N185 WeakPolarHBondContact O-CA 3.46Å; D182-N185 WeakPolarHBondContact O-CB 3.46Å; D182-N185 PolarHBondContact O-N 2.77Å; D182-V186 HydrophobicContact CB-CG2 4.4Å; D182-V186 WeakPolarHBondContact O-CB 3.3Å; D182-V186 WeakPolarHBondContact O-CG2 3.44Å; D182-V186 PolarHBondContact O-N 2.99Å
183L51.8Low47.9Very low10 Ų1070.7 Ų70.75%0.05235%0.354CS..Hα-helixtrans-61.5-29.6174.2-71.5169.3000113R59 L178 S179 N185 V245 Y246R59-L183 HydrophobicContact CG-CD1 4.3Å; L178-L183 HydrophobicContact CB-CD2 4.14Å; L178-L183 HydrophobicContact CB-CG 3.94Å; L178-L183 HydrophobicContact CD1-CD2 3.71Å; L178-L183 HydrophobicContact CD1-CG 4.41Å; S179-L183 PolarHBondContact O-N 3.15Å; L183-N185 PolarHBondContact O-N 2.58Å; L183-V245 HydrophobicContact CD2-CG1 4.14Å; L183-Y246 HydrophobicContact CB-CD1 4.48Å; L183-Y246 HydrophobicContact CB-CE1 4.05Å; L183-Y246 PolarHBondContact O-OH 2.94Å
184M48.1Very low48.7Very low55 Ų5576.7 Ų76.727%0.27138%0.382SS..THydrogen-bonded Turntrans-74-6.5172.1-80.3174.834.800114.3F163 N180 R181 D182F163-M184 WeakPolarHBondContact CD2-O 3.32Å; F163-M184 WeakPolarHBondContact CE2-O 3.25Å; F163-M184 WeakPolarHBondContact CZ-O 3.15Å; N180-M184 WeakPolarHBondContact O-CB 3.21Å; N180-M184 WeakPolarHBondContact O-CG 3.01Å; N180-M184 PolarHBondContact O-N 3.11Å; R181-M184 WeakPolarHBondContact O-CB 3.46Å; R181-M184 PolarHBondContact O-N 2.95Å; D182-M184 PolarHBondContact O-N 3.33Å
185N47.8Very low49.8Very low40 Ų4071 Ų7121%0.21436%0.357CS..THydrogen-bonded Turntrans-128.2-22.3-169.6-81.9-10.3000111.3K164 S166 R181 D182 L183 I187K164-N185 PolarHBondContact O-OD1 3.17Å; S166-N185 CarbonylContact C-O 3.59Å; S166-N185 WeakPolarHBondContact CA-O 3.23Å; S166-N185 WeakPolarHBondContact CB-O 3.33Å; S166-N185 PolarHBondContact N-O 3.09Å; S166-N185 VanDerWaalsContact OG-C 3.26Å; S166-N185 VanDerWaalsContact OG-CB 3.27Å; S166-N185 WeakPolarHBondContact OG-CB 3.45Å; S166-N185 PolarHBondContact OG-O 3.33Å; R181-N185 VanDerWaalsContact O-CB 3.28Å; R181-N185 WeakPolarHBondContact O-CB 2.92Å; R181-N185 PolarHBondContact O-N 2.89Å; R181-N185 PolarHBondContact O-ND2 2.71Å; D182-N185 CarbonylContact O-C 3.45Å; D182-N185 WeakPolarHBondContact O-CA 3.46Å; D182-N185 WeakPolarHBondContact O-CB 3.46Å; D182-N185 PolarHBondContact O-N 2.77Å; L183-N185 PolarHBondContact O-N 2.58Å; N185-I187 PolarHBondContact O-N 3.14Å
186V49.2Very low51.4Low4 Ų462 Ų622%0.02432%0.318CS..BIsolated β-bridgetrans-80.8104.2174.4173.60000106.5T168 M173 L178 D182T168-V186 HydrophobicContact CG2-CG2 3.87Å; T168-V186 WeakPolarHBondContact OG1-CG2 3.12Å; M173-V186 HydrophobicContact SD-CG1 3.65Å; L178-V186 HydrophobicContact CD2-CG2 4.17Å; D182-V186 HydrophobicContact CB-CG2 4.4Å; D182-V186 WeakPolarHBondContact O-CB 3.3Å; D182-V186 WeakPolarHBondContact O-CG2 3.44Å; D182-V186 PolarHBondContact O-N 2.99Å
187I51.1Low53.3Low4 Ų461.3 Ų61.32%0.02131%0.309CS..  trans-165.998.8131-64.8113.8000106.8F163 L165 N185 L233 S234 L240 V245F163-I187 HydrophobicContact CZ-CD1 3.99Å; L165-I187 WeakPolarHBondContact CD2-O 3.37Å; N185-I187 PolarHBondContact O-N 3.14Å; I187-L233 HydrophobicContact CG2-CD2 4.3Å; I187-S234 VanDerWaalsContact CG2-O 3.25Å; I187-S234 WeakPolarHBondContact CG2-O 3.36Å; I187-L240 HydrophobicContact CB-CD1 3.64Å; I187-L240 HydrophobicContact CB-CG 4.23Å; I187-L240 HydrophobicContact CD1-CD1 3.44Å; I187-L240 VanDerWaalsContact CD1-CD1 3.44Å; I187-L240 HydrophobicContact CD1-CD2 4.34Å; I187-L240 HydrophobicContact CD1-CG 3.99Å; I187-L240 HydrophobicContact CG1-CD1 3.44Å; I187-L240 VanDerWaalsContact CG1-CD1 3.44Å; I187-L240 HydrophobicContact CG1-CG 3.71Å; I187-L240 HydrophobicContact CG2-CB 3.99Å; I187-L240 HydrophobicContact CG2-CD1 3.33Å; I187-L240 HydrophobicContact CG2-CG 3.69Å; I187-V245 HydrophobicContact CG1-CG2 4.33Å
188F48.6Very low54.8Low28 Ų2857.6 Ų57.612%0.12329%0.293CS..  trans179133.7160.3150.5-103.3000108.9A167 E190 R231A167-F188 HydrophobicContact CB-CD1 4.34Å; A167-F188 HydrophobicContact CB-CE1 4.36Å; F188-E190 HydrophobicContact CE1-CB 3.64Å; F188-E190 HydrophobicContact CE1-CG 4.26Å; F188-E190 HydrophobicContact CE2-CB 3.9Å; F188-E190 HydrophobicContact CE2-CG 4.19Å; F188-E190 HydrophobicContact CZ-CB 3.2Å; F188-E190 HydrophobicContact CZ-CG 3.47Å; F188-E190 VanDerWaalsContact CZ-CG 3.47Å; F188-R231 HydrophobicContact CD2-CB 4.12Å; F188-R231 HydrophobicContact CD2-CG 4.35Å; F188-R231 HydrophobicContact CE2-CB 4.15Å; F188-R231 HydrophobicContact CE2-CG 3.97Å
189K45.9Very low56.4Low66 Ų6656.1 Ų56.129%0.28729%0.286SS..  trans-102127.3154.5-175174.1176178.80106.7N191 E375K189-N191 VanDerWaalsContact C-N 3.27Å; K189-N191 PolarHBondContact O-N 3.14Å; K189-E375 IonicContact NZ-OE1 3.31Å; K189-E375 PolarHBondContact NZ-OE1 3.44Å
190E46.8Very low57.9Low144 Ų14455.1 Ų55.167%0.67328%0.275SS*.  trans-68.393.4166.9-160149.7-145.200107.2F188 S192F188-E190 HydrophobicContact CE1-CB 3.64Å; F188-E190 HydrophobicContact CE1-CG 4.26Å; F188-E190 HydrophobicContact CE2-CB 3.9Å; F188-E190 HydrophobicContact CE2-CG 4.19Å; F188-E190 HydrophobicContact CZ-CB 3.2Å; F188-E190 HydrophobicContact CZ-CG 3.47Å; F188-E190 VanDerWaalsContact CZ-CG 3.47Å; E190-S192 PolarHBondContact O-N 2.8Å; E190-S192 VanDerWaalsContact O-N 3.15Å
191N50Low59.7Low26 Ų2656.2 Ų56.214%0.13928%0.281CS..  trans-71.1114-179.3-80.4-12.2000109.5K189 I193 A379 N380K189-N191 VanDerWaalsContact C-N 3.27Å; K189-N191 PolarHBondContact O-N 3.14Å; N191-I193 VanDerWaalsContact C-N 3.3Å; N191-I193 PolarHBondContact O-N 2.79Å; N191-I193 VanDerWaalsContact O-N 3.15Å; N191-A379 VanDerWaalsContact ND2-C 3.34Å; N191-A379 PolarHBondContact ND2-O 2.81Å; N191-N380 WeakPolarHBondContact CB-OD1 3.38Å; N191-N380 PolarHBondContact ND2-OD1 3.41Å; N191-N380 VanDerWaalsContact ND2-OD1 3.17Å
192S47Very low61.4Low97 Ų9748 Ų4868%0.67825%0.251SS*.  trans-85.747.6-174.550.70000113.2E190E190-S192 PolarHBondContact O-N 2.8Å; E190-S192 VanDerWaalsContact O-N 3.15Å
193I51.7Low63.3Low42 Ų4245.3 Ų45.322%0.21524%0.236CC..  trans-121.4114.4-175.5-59.3-176.3000112.9N191 A195 E375N191-I193 VanDerWaalsContact C-N 3.3Å; N191-I193 PolarHBondContact O-N 2.79Å; N191-I193 VanDerWaalsContact O-N 3.15Å; I193-A195 HydrophobicContact CG2-CB 4.06Å; I193-A195 PolarHBondContact O-N 3.19Å; I193-A195 VanDerWaalsContact O-N 3.17Å; I193-E375 HydrophobicContact CD1-CB 4.44Å
194H59.2Low65.2Low152 Ų15246.3 Ų46.370%0.70424%0.241SC*.G310 helixtrans-67.5-6.6-175-59.4-68.6000115.3L196 E197H194-L196 PolarHBondContact O-N 2.8Å; H194-E197 WeakPolarHBondContact O-CB 3.38Å; H194-E197 PolarHBondContact O-N 3.23Å; H194-E197 VanDerWaalsContact O-N 3.1Å
195A62.3Low67.3Low23 Ų2347.5 Ų47.519%0.1925%0.246CC..G310 helixtrans-56.2-57.2-173.700000111I193 E197 P198 L357I193-A195 HydrophobicContact CG2-CB 4.06Å; I193-A195 PolarHBondContact O-N 3.19Å; I193-A195 VanDerWaalsContact O-N 3.17Å; A195-E197 PolarHBondContact O-N 2.59Å; A195-P198 VanDerWaalsContact O-CD 3.27Å; A195-P198 WeakPolarHBondContact O-CD 3.38Å; A195-L357 HydrophobicContact CB-CD1 4.32Å; A195-L357 WeakPolarHBondContact O-CD1 3.39Å; A195-L357 WeakPolarHBondContact O-CD2 3.34Å
196L73.5Confident69.4Low4 Ų445.6 Ų45.62%0.02124%0.236CC..G310 helixtrans-77.7-3179.7-62.6177.4000114.3F86 H194 L199 K200 L377 I384F86-L196 HydrophobicContact CE2-CD1 4.2Å; H194-L196 PolarHBondContact O-N 2.8Å; L196-L199 HydrophobicContact CD2-CD1 4.12Å; L196-L199 PolarHBondContact O-N 3.26Å; L196-K200 HydrophobicContact CB-CD 4.45Å; L196-K200 WeakPolarHBondContact O-CG 3.37Å; L196-K200 PolarHBondContact O-N 3.09Å; L196-L377 HydrophobicContact CD1-CD1 3.66Å; L196-L377 HydrophobicContact CD2-CD1 3.8Å; L196-L377 HydrophobicContact CG-CD1 3.49Å; L196-L377 VanDerWaalsContact CG-CD1 3.49Å; L196-I384 HydrophobicContact CD1-CG1 4.45Å
197E77.5Confident71.5Confident73 Ų7345.4 Ų45.434%0.34124%0.235SC..Hα-helixtrans-57.2-42.3-173.2-161.858.7-151.600113.2H194 A195 L199 K200 L201H194-E197 WeakPolarHBondContact O-CB 3.38Å; H194-E197 PolarHBondContact O-N 3.23Å; H194-E197 VanDerWaalsContact O-N 3.1Å; A195-E197 PolarHBondContact O-N 2.59Å; E197-L199 VanDerWaalsContact C-N 3.31Å; E197-L199 PolarHBondContact O-N 2.96Å; E197-K200 PolarHBondContact O-N 2.89Å; E197-L201 HydrophobicContact CG-CD1 4.24Å; E197-L201 HydrophobicContact CG-CG 4.43Å; E197-L201 WeakPolarHBondContact O-CB 3.38Å; E197-L201 VanDerWaalsContact O-CG 3.29Å; E197-L201 WeakPolarHBondContact O-CG 3.27Å; E197-L201 PolarHBondContact O-N 2.82Å
198P81.5Confident73.6Confident58 Ų5851.3 Ų51.338%0.37726%0.257SS..Hα-helixtrans-60.9-37.3175-23.935.8000113.5A195 L202 M354 L357A195-P198 VanDerWaalsContact O-CD 3.27Å; A195-P198 WeakPolarHBondContact O-CD 3.38Å; P198-L202 VanDerWaalsContact O-CB 3.29Å; P198-L202 WeakPolarHBondContact O-CB 3.4Å; P198-L202 PolarHBondContact O-N 3.15Å; P198-M354 HydrophobicContact CB-CE 3.58Å; P198-M354 HydrophobicContact CB-SD 4.45Å; P198-L357 HydrophobicContact CB-CD2 4.05Å; P198-L357 HydrophobicContact CG-CD2 4.06Å
199L82.7Confident75.6Confident0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-73.5-37.8178.2-69.4169.2000111.9L196 E197 L202 W203 M354 L357 V358 I384 L440L196-L199 HydrophobicContact CD2-CD1 4.12Å; L196-L199 PolarHBondContact O-N 3.26Å; E197-L199 VanDerWaalsContact C-N 3.31Å; E197-L199 PolarHBondContact O-N 2.96Å; L199-L202 HydrophobicContact CD2-CD2 4.42Å; L199-L202 PolarHBondContact O-N 2.91Å; L199-W203 PolarHBondContact O-N 2.8Å; L199-M354 HydrophobicContact CD2-SD 3.73Å; L199-M354 HydrophobicContact CG-SD 4.37Å; L199-L357 HydrophobicContact CD1-CD2 3.75Å; L199-L357 HydrophobicContact CD1-CG 4.07Å; L199-L357 HydrophobicContact CG-CD2 3.64Å; L199-L357 HydrophobicContact CG-CG 4.46Å; L199-V358 HydrophobicContact CD1-CG2 4.09Å; L199-I384 HydrophobicContact CB-CD1 4.32Å; L199-I384 HydrophobicContact CB-CG2 3.77Å; L199-I384 HydrophobicContact CD1-CD1 3.96Å; L199-L440 HydrophobicContact CD1-CD2 4.27Å; L199-L440 HydrophobicContact CD2-CD1 3.85Å
200K86.8Confident77.8Confident31 Ų3150.9 Ų50.914%0.13527%0.27CS..Hα-helixtrans-60.7-48.4171.8-70.9170.4176.4178.40110.7L196 E197 L202 W203 L204 V229 I384L196-K200 HydrophobicContact CB-CD 4.45Å; L196-K200 WeakPolarHBondContact O-CG 3.37Å; L196-K200 PolarHBondContact O-N 3.09Å; E197-K200 PolarHBondContact O-N 2.89Å; K200-L202 PolarHBondContact O-N 2.82Å; K200-W203 WeakPolarHBondContact O-CB 3.47Å; K200-W203 PolarHBondContact O-N 3.09Å; K200-L204 WeakPolarHBondContact O-CG 3.39Å; K200-L204 PolarHBondContact O-N 3.02Å; K200-V229 HydrophobicContact CB-CG2 3.85Å; K200-V229 HydrophobicContact CD-CG1 3.83Å; K200-V229 HydrophobicContact CD-CG2 4.4Å; K200-V229 HydrophobicContact CG-CG1 4.04Å; K200-V229 HydrophobicContact CG-CG2 4.01Å; K200-I384 HydrophobicContact CG-CG2 4.05Å
201L88Confident79.9Confident77 Ų7751.4 Ų51.440%0.40328%0.277SS..Hα-helixtrans-62.7-42.8176.7-70.3174.1000111.3E197 W203 L204 H205E197-L201 HydrophobicContact CG-CD1 4.24Å; E197-L201 HydrophobicContact CG-CG 4.43Å; E197-L201 WeakPolarHBondContact O-CB 3.38Å; E197-L201 VanDerWaalsContact O-CG 3.29Å; E197-L201 WeakPolarHBondContact O-CG 3.27Å; E197-L201 PolarHBondContact O-N 2.82Å; L201-W203 VanDerWaalsContact C-N 3.32Å; L201-W203 PolarHBondContact O-N 2.8Å; L201-L204 PolarHBondContact O-N 2.89Å; L201-H205 WeakPolarHBondContact O-CB 3.44Å; L201-H205 PolarHBondContact O-N 3.22Å; L201-H205 PolarHBondContact O-ND1 2.85Å
202L87.4Confident81.9Confident16 Ų1653.7 Ų53.78%0.08429%0.287CS..Hα-helixtrans-55.7-47.4174.217762.3000111.1P198 L199 K200 H205 A206 M354 V498 M499 A502P198-L202 VanDerWaalsContact O-CB 3.29Å; P198-L202 WeakPolarHBondContact O-CB 3.4Å; P198-L202 PolarHBondContact O-N 3.15Å; L199-L202 HydrophobicContact CD2-CD2 4.42Å; L199-L202 PolarHBondContact O-N 2.91Å; K200-L202 PolarHBondContact O-N 2.82Å; L202-H205 PolarHBondContact O-N 3.08Å; L202-A206 VanDerWaalsContact O-CB 3.32Å; L202-A206 WeakPolarHBondContact O-CB 3.5Å; L202-A206 PolarHBondContact O-N 2.91Å; L202-M354 HydrophobicContact CD2-SD 4.4Å; L202-V498 HydrophobicContact CD1-CG1 4.45Å; L202-V498 HydrophobicContact CD1-CG2 3.76Å; L202-M499 HydrophobicContact CD1-SD 3.67Å; L202-M499 HydrophobicContact CD2-SD 4.13Å; L202-M499 HydrophobicContact CG-SD 3.74Å; L202-A502 HydrophobicContact CD1-CB 3.94Å; L202-A502 HydrophobicContact CD2-CB 3.82Å
203W91.7Very high84Confident1 Ų152 Ų520%0.00428%0.275CS..Hα-helixtrans-58.3-49.9177.5179.2-109.6000112.7L199 K200 L201 A206 G207 F227 V386 A387 L401 L403 I442 L493L199-W203 PolarHBondContact O-N 2.8Å; K200-W203 WeakPolarHBondContact O-CB 3.47Å; K200-W203 PolarHBondContact O-N 3.09Å; L201-W203 VanDerWaalsContact C-N 3.32Å; L201-W203 PolarHBondContact O-N 2.8Å; W203-A206 PolarHBondContact O-N 2.88Å; W203-G207 PolarHBondContact O-N 2.89Å; W203-G207 VanDerWaalsContact O-N 3.1Å; W203-F227 AromaticContact CD2-CD1 3.93Å; W203-F227 HydrophobicContact CD2-CD1 3.93Å; W203-F227 HydrophobicContact CD2-CE1 4.21Å; W203-F227 AromaticContact CE2-CD1 3.44Å; W203-F227 VanDerWaalsContact CE2-CD1 3.44Å; W203-F227 AromaticContact CE2-CE1 3.82Å; W203-F227 HydrophobicContact CE3-CE1 4.38Å; W203-F227 HydrophobicContact CG-CD1 4.34Å; W203-F227 HydrophobicContact CH2-CD1 4.37Å; W203-F227 AromaticContact CH2-CE1 3.92Å; W203-F227 HydrophobicContact CH2-CE1 3.92Å; W203-F227 AromaticContact CZ2-CD1 3.71Å; W203-F227 HydrophobicContact CZ2-CD1 3.71Å; W203-F227 AromaticContact CZ2-CE1 3.68Å; W203-F227 HydrophobicContact CZ2-CE1 3.68Å; W203-F227 HydrophobicContact CZ3-CE1 4.25Å; W203-F227 AromaticContact NE1-CD1 3.51Å; W203-V386 PolarHBondContact NE1-O 3.41Å; W203-A387 HydrophobicContact CZ2-CB 3.74Å; W203-L401 HydrophobicContact CH2-CB 3.93Å; W203-L401 HydrophobicContact CH2-CD1 4.47Å; W203-L401 HydrophobicContact CZ2-CB 4.24Å; W203-L403 HydrophobicContact CB-CD2 4.06Å; W203-L403 HydrophobicContact CD2-CB 4.02Å; W203-L403 HydrophobicContact CD2-CD2 4.25Å; W203-L403 HydrophobicContact CE3-CB 3.67Å; W203-L403 HydrophobicContact CE3-CD2 3.8Å; W203-L403 HydrophobicContact CE3-CG 4.2Å; W203-L403 HydrophobicContact CG-CD2 4.41Å; W203-L403 HydrophobicContact CH2-CB 4.24Å; W203-L403 HydrophobicContact CZ3-CB 3.79Å; W203-I442 HydrophobicContact CZ3-CD1 4.19Å; W203-I442 HydrophobicContact CZ3-CG1 4.43Å; W203-L493 HydrophobicContact CE3-CD2 4.47Å; W203-L493 HydrophobicContact CH2-CD2 4.14Å; W203-L493 HydrophobicContact CZ3-CD2 3.74Å
204L92.6Very high86Confident31 Ų3151.9 Ų51.916%0.16227%0.274CS..Hα-helixtrans-64.9-41.1179.1-61.2-177.6000111.7K200 L201 A206 G207 R208 I214 F227 V229K200-L204 WeakPolarHBondContact O-CG 3.39Å; K200-L204 PolarHBondContact O-N 3.02Å; L201-L204 PolarHBondContact O-N 2.89Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.29Å; L204-G207 PolarHBondContact O-N 2.96Å; L204-R208 PolarHBondContact O-N 2.73Å; L204-I214 HydrophobicContact CB-CD1 4.33Å; L204-I214 HydrophobicContact CD1-CG2 4.44Å; L204-I214 HydrophobicContact CD2-CD1 4.49Å; L204-I214 HydrophobicContact CD2-CG2 4.03Å; L204-I214 WeakPolarHBondContact O-CD1 3.36Å; L204-F227 HydrophobicContact CD2-CB 4.27Å; L204-V229 HydrophobicContact CD1-CG2 4.09Å; L204-V229 HydrophobicContact CD2-CG2 4.24Å; L204-V229 HydrophobicContact CG-CG2 4.21Å
205H92.5Very high87.3Confident80 Ų8045.5 Ų45.537%0.3725%0.246SC..Hα-helixtrans-68.4-33.2177.3-7580000112.3L201 L202 R208 S209 V498L201-H205 WeakPolarHBondContact O-CB 3.44Å; L201-H205 PolarHBondContact O-N 3.22Å; L201-H205 PolarHBondContact O-ND1 2.85Å; L202-H205 PolarHBondContact O-N 3.08Å; H205-R208 PolarHBondContact O-N 3.4Å; H205-S209 VanDerWaalsContact O-CB 3.24Å; H205-S209 WeakPolarHBondContact O-CB 3.48Å; H205-S209 PolarHBondContact O-N 3.21Å; H205-S209 PolarHBondContact O-OG 3.31Å; H205-V498 HydrophobicContact CB-CG1 4.35Å; H205-V498 HydrophobicContact CB-CG2 4.13Å
206A92.6Very high88.2Confident0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-62.8-46.7173.800000110.7L202 W203 L204 S209 G210 L493 V498 M499L202-A206 VanDerWaalsContact O-CB 3.32Å; L202-A206 WeakPolarHBondContact O-CB 3.5Å; L202-A206 PolarHBondContact O-N 2.91Å; W203-A206 PolarHBondContact O-N 2.88Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.29Å; A206-S209 PolarHBondContact O-N 2.72Å; A206-G210 PolarHBondContact O-N 3.36Å; A206-L493 HydrophobicContact CB-CD1 3.7Å; A206-L493 HydrophobicContact CB-CG 4.23Å; A206-L493 WeakPolarHBondContact O-CD1 3.47Å; A206-V498 HydrophobicContact CB-CG1 4.08Å; A206-M499 HydrophobicContact CB-CG 3.63Å; A206-M499 HydrophobicContact CB-SD 3.72Å
207G93.2Very high88.4Confident0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-57.8-49.9173.700000112.5W203 L204 S209 G210 N211 H212W203-G207 PolarHBondContact O-N 2.89Å; W203-G207 VanDerWaalsContact O-N 3.1Å; L204-G207 PolarHBondContact O-N 2.96Å; G207-S209 PolarHBondContact O-N 2.81Å; G207-G210 CarbonylContact O-C 3.58Å; G207-G210 PolarHBondContact O-N 2.55Å; G207-G210 VanDerWaalsContact O-N 3.15Å; G207-N211 PolarHBondContact O-N 3.02Å; G207-H212 WeakPolarHBondContact O-CB 3.45Å; G207-H212 PolarHBondContact O-N 3.26Å
208R93.8Very high88.4Confident129 Ų12953.7 Ų53.749%0.48729%0.286SS..Hα-helixtrans-61.5-44.1179.2-175.3176.2-70.8137.7-3.2112.3L204 H205 G210 N211 I214L204-R208 PolarHBondContact O-N 2.73Å; H205-R208 PolarHBondContact O-N 3.4Å; R208-G210 PolarHBondContact O-N 3.26Å; R208-N211 WeakPolarHBondContact O-CA 3.35Å; R208-N211 PolarHBondContact O-N 2.96Å; R208-I214 HydrophobicContact CB-CD1 4.25Å; R208-I214 HydrophobicContact CB-CG1 4.27Å
209S92Very high88.1Confident59 Ų5958.5 Ų58.541%0.41330%0.302SS..Hα-helixtrans-66.4-24.5178.1-57.60000112.6H205 A206 G207 N211H205-S209 VanDerWaalsContact O-CB 3.24Å; H205-S209 WeakPolarHBondContact O-CB 3.48Å; H205-S209 PolarHBondContact O-N 3.21Å; H205-S209 PolarHBondContact O-OG 3.31Å; A206-S209 PolarHBondContact O-N 2.72Å; G207-S209 PolarHBondContact O-N 2.81Å; S209-N211 VanDerWaalsContact C-N 3.26Å
210G90.6Very high88.2Confident26 Ų2661.4 Ų61.427%0.26832%0.317SS..THydrogen-bonded Turntrans-81.66.2170.200000114.6A206 G207 R208 H212A206-G210 PolarHBondContact O-N 3.36Å; G207-G210 CarbonylContact O-C 3.58Å; G207-G210 PolarHBondContact O-N 2.55Å; G207-G210 VanDerWaalsContact O-N 3.15Å; R208-G210 PolarHBondContact O-N 3.26Å; G210-H212 VanDerWaalsContact C-N 3.34Å; G210-H212 PolarHBondContact O-CD2 3.39Å; G210-H212 PolarHBondContact O-NE2 3.48Å
211N91.8Very high88.1Confident155 Ų15560.2 Ų60.283%0.82931%0.312SS*.THydrogen-bonded Turntrans61.234.7-172.5-62.8-37000114.2G207 R208 S209G207-N211 PolarHBondContact O-N 3.02Å; R208-N211 WeakPolarHBondContact O-CA 3.35Å; R208-N211 PolarHBondContact O-N 2.96Å; S209-N211 VanDerWaalsContact C-N 3.26Å
212H91.9Very high88Confident74 Ų7457.1 Ų57.134%0.34330%0.295SS..PPolyproline II helixtrans-102.4149.9172.2-60.7-69000112.1G207 G210 F227 F489G207-H212 WeakPolarHBondContact O-CB 3.45Å; G207-H212 PolarHBondContact O-N 3.26Å; G210-H212 VanDerWaalsContact C-N 3.34Å; G210-H212 PolarHBondContact O-CD2 3.39Å; G210-H212 PolarHBondContact O-NE2 3.48Å; H212-F227 HydrophobicContact CB-CD2 3.74Å; H212-F227 HydrophobicContact CB-CE2 3.61Å; H212-F227 AromaticContact CD2-CE2 3.93Å; H212-F227 AromaticContact CG-CE2 3.82Å; H212-F489 AromaticContact CD2-CZ 3.7Å; H212-F489 AromaticContact CE1-CE2 3.31Å; H212-F489 WeakPolarHBondContact CE1-CE2 3.32Å; H212-F489 AromaticContact CE1-CZ 3.6Å; H212-F489 AromaticContact NE2-CE2 3.27Å; H212-F489 VanDerWaalsContact NE2-CE2 3.27Å; H212-F489 WeakPolarHBondContact NE2-CE2 3.32Å; H212-F489 AromaticContact NE2-CZ 3.29Å; H212-F489 VanDerWaalsContact NE2-CZ 3.29Å; H212-F489 WeakPolarHBondContact NE2-CZ 3.42Å
213S91.5Very high87.6Confident62 Ų6262.5 Ų62.543%0.43432%0.32SS..PPolyproline II helixtrans-63.6143.2176.8-56.50000111.4G226 F227S213-G226 CarbonylContact O-C 3.1Å; S213-G226 WeakPolarHBondContact O-CA 3.31Å; S213-F227 PolarHBondContact O-N 2.91Å
214I92.3Very high86.7Confident39 Ų3970.5 Ų70.520%0.236%0.355CS..BIsolated β-bridgetrans-100.8127.1165.9-53.5-50.7000107.6L204 R208 F227L204-I214 HydrophobicContact CB-CD1 4.33Å; L204-I214 HydrophobicContact CD1-CG2 4.44Å; L204-I214 HydrophobicContact CD2-CD1 4.49Å; L204-I214 HydrophobicContact CD2-CG2 4.03Å; L204-I214 WeakPolarHBondContact O-CD1 3.36Å; R208-I214 HydrophobicContact CB-CD1 4.25Å; R208-I214 HydrophobicContact CB-CG1 4.27Å; I214-F227 CarbonylContact C-O 3.55Å; I214-F227 WeakPolarHBondContact CA-O 3.38Å; I214-F227 HydrophobicContact CD1-CB 3.82Å
215V87.8Confident86.5Confident17 Ų1769.2 Ų69.210%0.10335%0.349CS..  trans-104117.9-175.7-174.70000109.6A217 D220 I221 F227 F228V215-A217 WeakPolarHBondContact CG1-O 3.49Å; V215-D220 HydrophobicContact CG1-CB 4.03Å; V215-I221 HydrophobicContact CB-CG1 4.23Å; V215-I221 HydrophobicContact CG1-CB 4.35Å; V215-I221 HydrophobicContact CG1-CG1 3.51Å; V215-F227 PolarHBondContact N-O 3.3Å; V215-F228 HydrophobicContact CB-CB 4.27Å; V215-F228 WeakPolarHBondContact O-CB 3.41Å
216E79.6Confident86.6Confident183 Ų18365.7 Ų65.786%0.85533%0.334SS*.  trans-96.9-34.5178.7-64179.1178.400112
217A78.2Confident86.6Confident37 Ų3765.7 Ų65.731%0.30633%0.334SS..SBendtrans-105.9131.9-179.700000111.6V215 K219 D220V215-A217 WeakPolarHBondContact CG1-O 3.49Å; A217-K219 HydrophobicContact CB-CG 4.09Å; A217-K219 PolarHBondContact O-N 3.02Å; A217-K219 VanDerWaalsContact O-N 3.09Å; A217-D220 PolarHBondContact O-N 3.23Å
218E77Confident86.6Confident52 Ų5266.2 Ų66.224%0.24334%0.336CS..G310 helixtrans-51.5-37.3-178.1-69.8165.5-159.800113.7Y135 P137 L165 D220 I221 R231Y135-E218 HydrophobicContact CE1-CG 4.4Å; P137-E218 HydrophobicContact CG-CB 4.24Å; L165-E218 WeakPolarHBondContact CD1-OE1 3.26Å; E218-D220 PolarHBondContact O-N 3.38Å; E218-I221 WeakPolarHBondContact O-CB 3.39Å; E218-I221 WeakPolarHBondContact O-CG1 3.36Å; E218-I221 PolarHBondContact O-N 3.35Å; E218-R231 IonicContact OE1-CZ 3.27Å; E218-R231 VanDerWaalsContact OE1-CZ 3.29Å; E218-R231 IonicContact OE1-NE 3.73Å; E218-R231 IonicContact OE1-NH1 2.72Å; E218-R231 PolarHBondContact OE1-NH1 3.21Å; E218-R231 IonicContact OE1-NH2 3.05Å
219K77.1Confident86.4Confident160 Ų16062.4 Ų62.470%0.69633%0.328SS*.G310 helixtrans-63.3-21.3-179.561.5169.1-170.1-179.40114.1A217A217-K219 HydrophobicContact CB-CG 4.09Å; A217-K219 PolarHBondContact O-N 3.02Å; A217-K219 VanDerWaalsContact O-N 3.09Å
220D83.1Confident86.2Confident61 Ų6160.1 Ų60.133%0.32631%0.311SS..G310 helixtrans-97.5-8.4-173-58.8-37.5000111.9V215 A217 E218 F222 Q223V215-D220 HydrophobicContact CG1-CB 4.03Å; A217-D220 PolarHBondContact O-N 3.23Å; E218-D220 PolarHBondContact O-N 3.38Å; D220-F222 VanDerWaalsContact C-N 3.33Å; D220-F222 PolarHBondContact O-N 2.9Å; D220-Q223 PolarHBondContact O-N 3.28Å
221I85.2Confident85.9Confident5 Ų563.3 Ų63.33%0.02632%0.315CS..Hα-helixtrans-56.2-43.9-174.5-69.8176.6000112.1P137 V215 E218 G225 F228 M388P137-I221 HydrophobicContact CG-CD1 3.76Å; V215-I221 HydrophobicContact CB-CG1 4.23Å; V215-I221 HydrophobicContact CG1-CB 4.35Å; V215-I221 HydrophobicContact CG1-CG1 3.51Å; E218-I221 WeakPolarHBondContact O-CB 3.39Å; E218-I221 WeakPolarHBondContact O-CG1 3.36Å; E218-I221 PolarHBondContact O-N 3.35Å; I221-G225 VanDerWaalsContact O-CA 3.25Å; I221-G225 WeakPolarHBondContact O-CA 3.3Å; I221-G225 PolarHBondContact O-N 2.9Å; I221-F228 HydrophobicContact CD1-CD1 4.26Å; I221-F228 HydrophobicContact CD1-CD2 4.14Å; I221-F228 HydrophobicContact CD1-CE1 4.1Å; I221-F228 HydrophobicContact CD1-CE2 3.98Å; I221-F228 HydrophobicContact CD1-CG 4.28Å; I221-F228 HydrophobicContact CD1-CZ 3.94Å; I221-F228 HydrophobicContact CG1-CD1 4.3Å; I221-F228 HydrophobicContact CG1-CE1 4.34Å; I221-F228 HydrophobicContact CG2-CD1 4.42Å; I221-F228 HydrophobicContact CG2-CE1 3.82Å; I221-F228 HydrophobicContact CG2-CZ 4.28Å; I221-M388 HydrophobicContact CG2-CB 4.38Å; I221-M388 HydrophobicContact CG2-CG 3.74Å
222F85.3Confident85.5Confident12 Ų1256.5 Ų56.55%0.05328%0.279CS..Hα-helixtrans-93.7-16.6-172.1-56.1-64.6000114.6V136 P137 N139 D220 K224 M388 P397 T575V136-F222 HydrophobicContact CG1-CZ 4.24Å; P137-F222 HydrophobicContact CB-CE2 4.47Å; P137-F222 HydrophobicContact CG-CE2 3.92Å; P137-F222 HydrophobicContact CG-CZ 4.25Å; P137-F222 WeakPolarHBondContact O-CZ 3.41Å; N139-F222 HydrophobicContact CB-CD1 4.12Å; N139-F222 HydrophobicContact CB-CD2 3.56Å; N139-F222 HydrophobicContact CB-CE1 4.22Å; N139-F222 HydrophobicContact CB-CE2 3.67Å; N139-F222 HydrophobicContact CB-CG 3.81Å; N139-F222 HydrophobicContact CB-CZ 4.02Å; D220-F222 VanDerWaalsContact C-N 3.33Å; D220-F222 PolarHBondContact O-N 2.9Å; F222-K224 PolarHBondContact O-N 2.93Å; F222-M388 HydrophobicContact CE1-CE 4Å; F222-M388 HydrophobicContact CE1-CG 4.41Å; F222-M388 HydrophobicContact CE1-SD 4.27Å; F222-P397 HydrophobicContact CD1-CG 4.4Å; F222-P397 WeakPolarHBondContact O-CD 3.47Å; F222-T575 HydrophobicContact CD1-CG2 3.79Å; F222-T575 HydrophobicContact CE1-CG2 3.95Å
223Q80.4Confident85Confident130 Ų13053.8 Ų53.861%0.60727%0.267SS*.Hα-helixtrans-68.3-34.2-175-67.5-178.313.400113.1D220D220-Q223 PolarHBondContact O-N 3.28Å
224K73.4Confident84.3Confident169 Ų16951.1 Ų51.174%0.73525%0.248SC*.Hα-helixtrans-134.1-4.4-179.6-64.3-176.2-179.11770113.2F222F222-K224 PolarHBondContact O-N 2.93Å
225G87.9Confident83.4Confident3 Ų350.5 Ų50.53%0.03124%0.244CC..  trans65.8-179.7-16100000112I221 M388I221-G225 VanDerWaalsContact O-CA 3.25Å; I221-G225 WeakPolarHBondContact O-CA 3.3Å; I221-G225 PolarHBondContact O-N 2.9Å; G225-M388 CarbonylContact C-O 3.59Å; G225-M388 WeakPolarHBondContact CA-O 3.43Å
226G93Very high82.5Confident6 Ų656.8 Ų56.86%0.06227%0.265CS..EExtended strand (participates in β ladder)trans149.1174.917800000112.6S213 A387 M388S213-G226 CarbonylContact O-C 3.1Å; S213-G226 WeakPolarHBondContact O-CA 3.31Å; G226-A387 VanDerWaalsContact O-CA 3.28Å; G226-A387 WeakPolarHBondContact O-CA 3.45Å; G226-M388 PolarHBondContact N-O 3.19Å; G226-M388 PolarHBondContact O-N 3.33Å
227F94.6Very high82.1Confident1 Ų148.4 Ų48.40%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-93.8137-179.4-71.3-115.1000109.9W203 L204 H212 S213 I214 V215 V386 A387 F489 L493W203-F227 AromaticContact CD2-CD1 3.93Å; W203-F227 HydrophobicContact CD2-CD1 3.93Å; W203-F227 HydrophobicContact CD2-CE1 4.21Å; W203-F227 AromaticContact CE2-CD1 3.44Å; W203-F227 VanDerWaalsContact CE2-CD1 3.44Å; W203-F227 AromaticContact CE2-CE1 3.82Å; W203-F227 HydrophobicContact CE3-CE1 4.38Å; W203-F227 HydrophobicContact CG-CD1 4.34Å; W203-F227 HydrophobicContact CH2-CD1 4.37Å; W203-F227 AromaticContact CH2-CE1 3.92Å; W203-F227 HydrophobicContact CH2-CE1 3.92Å; W203-F227 AromaticContact CZ2-CD1 3.71Å; W203-F227 HydrophobicContact CZ2-CD1 3.71Å; W203-F227 AromaticContact CZ2-CE1 3.68Å; W203-F227 HydrophobicContact CZ2-CE1 3.68Å; W203-F227 HydrophobicContact CZ3-CE1 4.25Å; W203-F227 AromaticContact NE1-CD1 3.51Å; L204-F227 HydrophobicContact CD2-CB 4.27Å; H212-F227 HydrophobicContact CB-CD2 3.74Å; H212-F227 HydrophobicContact CB-CE2 3.61Å; H212-F227 AromaticContact CD2-CE2 3.93Å; H212-F227 AromaticContact CG-CE2 3.82Å; S213-F227 PolarHBondContact O-N 2.91Å; I214-F227 CarbonylContact C-O 3.55Å; I214-F227 WeakPolarHBondContact CA-O 3.38Å; I214-F227 HydrophobicContact CD1-CB 3.82Å; V215-F227 PolarHBondContact N-O 3.3Å; F227-V386 CarbonylContact C-O 3.55Å; F227-V386 WeakPolarHBondContact CA-O 3.44Å; F227-A387 HydrophobicContact CD1-CB 3.75Å; F227-A387 HydrophobicContact CD2-CB 3.85Å; F227-A387 HydrophobicContact CE1-CB 3.77Å; F227-A387 HydrophobicContact CE2-CB 3.87Å; F227-A387 HydrophobicContact CG-CB 3.76Å; F227-A387 HydrophobicContact CZ-CB 3.82Å; F227-F489 HydrophobicContact CE2-CE1 4.39Å; F227-F489 HydrophobicContact CE2-CZ 4.17Å; F227-F489 AromaticContact CZ-CE1 3.95Å; F227-F489 HydrophobicContact CZ-CE1 3.95Å; F227-F489 HydrophobicContact CZ-CZ 4.18Å; F227-L493 HydrophobicContact CE1-CD1 3.85Å; F227-L493 HydrophobicContact CE1-CD2 3.85Å; F227-L493 HydrophobicContact CZ-CD1 3.71Å; F227-L493 HydrophobicContact CZ-CD2 4.07Å
228F92.7Very high82.1Confident10 Ų1047.2 Ų47.24%0.04422%0.217CC..EExtended strand (participates in β ladder)trans-150.4165177.164.1-83.5000111.3V136 V215 I221 P230 V386 M388V136-F228 HydrophobicContact CG2-CZ 4.44Å; V215-F228 HydrophobicContact CB-CB 4.27Å; V215-F228 WeakPolarHBondContact O-CB 3.41Å; I221-F228 HydrophobicContact CD1-CD1 4.26Å; I221-F228 HydrophobicContact CD1-CD2 4.14Å; I221-F228 HydrophobicContact CD1-CE1 4.1Å; I221-F228 HydrophobicContact CD1-CE2 3.98Å; I221-F228 HydrophobicContact CD1-CG 4.28Å; I221-F228 HydrophobicContact CD1-CZ 3.94Å; I221-F228 HydrophobicContact CG1-CD1 4.3Å; I221-F228 HydrophobicContact CG1-CE1 4.34Å; I221-F228 HydrophobicContact CG2-CD1 4.42Å; I221-F228 HydrophobicContact CG2-CE1 3.82Å; I221-F228 HydrophobicContact CG2-CZ 4.28Å; F228-P230 HydrophobicContact CE2-CB 4.25Å; F228-V386 HydrophobicContact CD1-CB 4.25Å; F228-V386 HydrophobicContact CD1-CG1 4.49Å; F228-V386 HydrophobicContact CD2-CB 4.31Å; F228-V386 HydrophobicContact CE1-CB 3.71Å; F228-V386 HydrophobicContact CE1-CG1 3.56Å; F228-V386 HydrophobicContact CE2-CB 3.78Å; F228-V386 HydrophobicContact CE2-CG1 4.21Å; F228-V386 HydrophobicContact CE2-CG2 4.18Å; F228-V386 HydrophobicContact CZ-CB 3.45Å; F228-V386 VanDerWaalsContact CZ-CB 3.45Å; F228-V386 HydrophobicContact CZ-CG1 3.4Å; F228-V386 HydrophobicContact CZ-CG2 4.16Å; F228-V386 PolarHBondContact N-O 3.33Å; F228-V386 PolarHBondContact O-N 3.2Å; F228-V386 VanDerWaalsContact O-O 3.09Å; F228-M388 HydrophobicContact CE1-CG 4.06Å
229V90Very high82.5Confident50 Ų5044.9 Ų44.930%0.30321%0.206SC..PPolyproline II helixtrans-99.8119.1170.4176.20000107.2K200 L204K200-V229 HydrophobicContact CB-CG2 3.85Å; K200-V229 HydrophobicContact CD-CG1 3.83Å; K200-V229 HydrophobicContact CD-CG2 4.4Å; K200-V229 HydrophobicContact CG-CG1 4.04Å; K200-V229 HydrophobicContact CG-CG2 4.01Å; L204-V229 HydrophobicContact CD1-CG2 4.09Å; L204-V229 HydrophobicContact CD2-CG2 4.24Å; L204-V229 HydrophobicContact CG-CG2 4.21Å
230P87.7Confident82.9Confident10 Ų1037.4 Ų37.47%0.06517%0.174CC..PPolyproline II helixtrans-69.6149.8179.131.1-35.4000110.5A134 F228 T381 T383 V386A134-P230 HydrophobicContact CB-CB 3.95Å; A134-P230 HydrophobicContact CB-CG 4.03Å; F228-P230 HydrophobicContact CE2-CB 4.25Å; P230-T381 HydrophobicContact CG-CG2 4.4Å; P230-T383 HydrophobicContact CG-CG2 3.94Å; P230-T383 WeakPolarHBondContact CG-O 3.39Å; P230-V386 HydrophobicContact CB-CG2 4.17Å; P230-V386 HydrophobicContact CG-CG2 3.86Å
231R84.1Confident83.2Confident94 Ų9434.6 Ų34.636%0.35516%0.159SC..EExtended strand (participates in β ladder)trans-76152.6169.1-70.4-179.41791557.8110.1Y135 L165 F188 E218Y135-R231 PolarHBondContact N-O 2.81Å; L165-R231 HydrophobicContact CD1-CB 4.4Å; F188-R231 HydrophobicContact CD2-CB 4.12Å; F188-R231 HydrophobicContact CD2-CG 4.35Å; F188-R231 HydrophobicContact CE2-CB 4.15Å; F188-R231 HydrophobicContact CE2-CG 3.97Å; E218-R231 IonicContact OE1-CZ 3.27Å; E218-R231 VanDerWaalsContact OE1-CZ 3.29Å; E218-R231 IonicContact OE1-NE 3.73Å; E218-R231 IonicContact OE1-NH1 2.72Å; E218-R231 PolarHBondContact OE1-NH1 3.21Å; E218-R231 IonicContact OE1-NH2 3.05Å
232T82.3Confident83.5Confident11 Ų1134.3 Ų34.37%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-83.8125.3172.7-54.80000110.1P85 S234 T381P85-T232 HydrophobicContact CB-CG2 4.08Å; T232-S234 PolarHBondContact O-N 2.93Å; T232-T381 WeakPolarHBondContact OG1-CG2 3.26Å; T232-T381 PolarHBondContact OG1-N 3.24Å
233L81.3Confident83.8Confident18 Ų1833.8 Ų33.89%0.09416%0.155CC..  trans-8196.2167.7-66.8179.4000109.5S133 Y135 L165 I187 L240S133-L233 WeakPolarHBondContact O-CB 3.23Å; S133-L233 PolarHBondContact O-N 3.45Å; Y135-L233 HydrophobicContact CD2-CD1 4.12Å; Y135-L233 HydrophobicContact CD2-CD2 3.72Å; Y135-L233 HydrophobicContact CD2-CG 4.24Å; Y135-L233 HydrophobicContact CG-CD2 4.08Å; Y135-L233 HydrophobicContact CG-CG 4.49Å; L165-L233 HydrophobicContact CD2-CD2 4.23Å; I187-L233 HydrophobicContact CG2-CD2 4.3Å; L233-L240 HydrophobicContact CB-CB 3.79Å; L233-L240 HydrophobicContact CB-CD1 3.78Å; L233-L240 HydrophobicContact CB-CG 4.48Å; L233-L240 HydrophobicContact CD1-CD1 4.14Å; L233-L240 HydrophobicContact CD2-CD1 3.93Å; L233-L240 HydrophobicContact CG-CD1 4.16Å; L233-L240 WeakPolarHBondContact O-CB 3.44Å; L233-L240 PolarHBondContact O-N 3.14Å
234S76.5Confident84.2Confident5 Ų527.6 Ų27.64%0.03513%0.126CC..EExtended strand (participates in β ladder)trans-133146.417962.10000112.9I187 T232 T238I187-S234 VanDerWaalsContact CG2-O 3.25Å; I187-S234 WeakPolarHBondContact CG2-O 3.36Å; T232-S234 PolarHBondContact O-N 2.93Å; S234-T238 CarbonylContact C-O 3.49Å; S234-T238 WeakPolarHBondContact CA-O 3.48Å; S234-T238 WeakPolarHBondContact CB-O 3.46Å
235Y73.9Confident84.7Confident27 Ų2720 Ų2011%0.1069%0.094CC..EExtended strand (participates in β ladder)trans-127.8117.5174.7177.7-109.4000108.4M23 M173 G237 T238 V245M23-Y235 HydrophobicContact CE-CD1 3.55Å; M23-Y235 HydrophobicContact CE-CE1 3.91Å; M173-Y235 HydrophobicContact CE-CD2 4.14Å; M173-Y235 HydrophobicContact CE-CE2 3.44Å; M173-Y235 VanDerWaalsContact CE-CE2 3.44Å; M173-Y235 HydrophobicContact SD-CD2 4.24Å; M173-Y235 HydrophobicContact SD-CE2 3.64Å; Y235-G237 VanDerWaalsContact C-N 3.33Å; Y235-G237 PolarHBondContact O-N 2.95Å; Y235-T238 PolarHBondContact N-O 2.65Å; Y235-T238 PolarHBondContact O-N 3.12Å; Y235-T238 PolarHBondContact O-OG1 2.99Å; Y235-V245 HydrophobicContact CD1-CG2 4.2Å; Y235-V245 HydrophobicContact CD2-CG2 4Å; Y235-V245 HydrophobicContact CE2-CG2 4.43Å; Y235-V245 HydrophobicContact CG-CG2 3.87Å
236R69.5Low84.7Confident148 Ų14820.2 Ų20.256%0.5589%0.094SC*.THydrogen-bonded Turntrans55.940.8-175-58.9-178169.9-173.8-4.5114.1M173 T238M173-R236 HydrophobicContact CE-CG 4.28Å; R236-T238 PolarHBondContact O-N 3.05Å
237G70.4Confident84.6Confident7 Ų720.2 Ų20.27%0.0729%0.092CC..THydrogen-bonded Turntrans78.3-6.3179.800000114.7Y235 Y370Y235-G237 VanDerWaalsContact C-N 3.33Å; Y235-G237 PolarHBondContact O-N 2.95Å; G237-Y370 WeakPolarHBondContact O-CE2 3.32Å
238T79.1Confident84Confident13 Ų1321.3 Ų21.38%0.0810%0.1CC..EExtended strand (participates in β ladder)trans-105.2165177.470.60000111.5Y19 A83 S234 Y235 R236 L240Y19-T238 HydrophobicContact CE2-CG2 3.92Å; A83-T238 HydrophobicContact CB-CG2 4.23Å; A83-T238 CarbonylContact O-C 3.56Å; A83-T238 VanDerWaalsContact O-CA 3.24Å; A83-T238 WeakPolarHBondContact O-CA 3.29Å; A83-T238 VanDerWaalsContact O-CB 3.25Å; A83-T238 WeakPolarHBondContact O-CB 3.2Å; S234-T238 CarbonylContact C-O 3.49Å; S234-T238 WeakPolarHBondContact CA-O 3.48Å; S234-T238 WeakPolarHBondContact CB-O 3.46Å; Y235-T238 PolarHBondContact N-O 2.65Å; Y235-T238 PolarHBondContact O-N 3.12Å; Y235-T238 PolarHBondContact O-OG1 2.99Å; R236-T238 PolarHBondContact O-N 3.05Å; T238-L240 PolarHBondContact O-N 2.86Å
239K85.6Confident83.4Confident3 Ų326.3 Ų26.31%0.01312%0.122CC..EExtended strand (participates in β ladder)trans-53.2134.7176.3-174.2169.2-58.7-166.30109.5A83 V84 V87 S128 V129 G131 S133 N241A83-K239 PolarHBondContact O-N 2.64Å; V84-K239 WeakPolarHBondContact O-CE 3.25Å; V87-K239 PolarHBondContact O-NZ 3.4Å; S128-K239 VanDerWaalsContact O-CD 3.27Å; S128-K239 WeakPolarHBondContact O-CD 3.37Å; V129-K239 VanDerWaalsContact O-CD 3.31Å; V129-K239 WeakPolarHBondContact O-CD 3.48Å; V129-K239 PolarHBondContact O-NZ 2.88Å; G131-K239 WeakPolarHBondContact O-CE 3.42Å; G131-K239 PolarHBondContact O-NZ 2.69Å; S133-K239 VanDerWaalsContact OG-CE 3.25Å; S133-K239 WeakPolarHBondContact OG-CE 3.38Å; S133-K239 WeakPolarHBondContact OG-CG 3.18Å; K239-N241 PolarHBondContact O-N 2.83Å
240L85.6Confident82.9Confident3 Ų330.6 Ų30.62%0.01614%0.139CC..  trans-56.9111.1176.5-177.2179.7000109.6Y52 I187 L233 T238 P242Y52-L240 HydrophobicContact CE1-CD2 4.01Å; I187-L240 HydrophobicContact CB-CD1 3.64Å; I187-L240 HydrophobicContact CB-CG 4.23Å; I187-L240 HydrophobicContact CD1-CD1 3.44Å; I187-L240 VanDerWaalsContact CD1-CD1 3.44Å; I187-L240 HydrophobicContact CD1-CD2 4.34Å; I187-L240 HydrophobicContact CD1-CG 3.99Å; I187-L240 HydrophobicContact CG1-CD1 3.44Å; I187-L240 VanDerWaalsContact CG1-CD1 3.44Å; I187-L240 HydrophobicContact CG1-CG 3.71Å; I187-L240 HydrophobicContact CG2-CB 3.99Å; I187-L240 HydrophobicContact CG2-CD1 3.33Å; I187-L240 HydrophobicContact CG2-CG 3.69Å; L233-L240 HydrophobicContact CB-CB 3.79Å; L233-L240 HydrophobicContact CB-CD1 3.78Å; L233-L240 HydrophobicContact CB-CG 4.48Å; L233-L240 HydrophobicContact CD1-CD1 4.14Å; L233-L240 HydrophobicContact CD2-CD1 3.93Å; L233-L240 HydrophobicContact CG-CD1 4.16Å; L233-L240 WeakPolarHBondContact O-CB 3.44Å; L233-L240 PolarHBondContact O-N 3.14Å; T238-L240 PolarHBondContact O-N 2.86Å; L240-P242 HydrophobicContact CD2-CB 4.32Å
241N89.2Confident82.9Confident1 Ų133 Ų331%0.00515%0.146CC..  trans-106115.7167.8-175.7-51.8000109.1L124 G125 V129 K239 A243 A244 V245L124-N241 PolarHBondContact O-ND2 3.16Å; G125-N241 WeakPolarHBondContact CA-OD1 3.28Å; V129-N241 WeakPolarHBondContact CG1-ND2 3.44Å; K239-N241 PolarHBondContact O-N 2.83Å; N241-A243 PolarHBondContact O-N 3.28Å; N241-A243 WeakPolarHBondContact OD1-CA 3.18Å; N241-A243 VanDerWaalsContact OD1-CB 3.27Å; N241-A243 WeakPolarHBondContact OD1-CB 3.3Å; N241-A243 PolarHBondContact OD1-N 2.98Å; N241-A244 HydrophobicContact CB-CB 3.87Å; N241-A244 WeakPolarHBondContact O-CB 3.22Å; N241-A244 PolarHBondContact O-N 3.21Å; N241-A244 PolarHBondContact OD1-N 3.3Å; N241-A244 VanDerWaalsContact OD1-N 3.09Å; N241-V245 PolarHBondContact O-N 3.22Å
242P90.3Very high83.2Confident0 Ų034.9 Ų34.90%017%0.171CC..Hα-helixtrans-64.7-29.6-176.326.3-32.1000111.5Y52 S55 G125 S128 L240 V245 Y246Y52-P242 HydrophobicContact CD1-CB 4.12Å; Y52-P242 HydrophobicContact CD1-CG 4.12Å; Y52-P242 HydrophobicContact CE1-CG 4.44Å; Y52-P242 HydrophobicContact CG-CG 4.31Å; S55-P242 WeakPolarHBondContact CB-O 3.41Å; G125-P242 WeakPolarHBondContact O-CG 3.43Å; S128-P242 VanDerWaalsContact CB-CD 3.48Å; S128-P242 WeakPolarHBondContact OG-CD 3.5Å; L240-P242 HydrophobicContact CD2-CB 4.32Å; P242-V245 PolarHBondContact O-N 3.24Å; P242-Y246 HydrophobicContact CB-CD2 4Å; P242-Y246 HydrophobicContact CB-CE2 4.15Å; P242-Y246 VanDerWaalsContact O-CB 3.31Å; P242-Y246 WeakPolarHBondContact O-CB 3.48Å; P242-Y246 WeakPolarHBondContact O-CD2 3.4Å; P242-Y246 PolarHBondContact O-N 3.36Å
243A92.3Very high83.7Confident0 Ų035 Ų350%017%0.171CC..Hα-helixtrans-68.1-38.5172.700000111.5F24 S55 L124 N241 V245 L247 S248F24-A243 HydrophobicContact CE1-CB 3.99Å; S55-A243 WeakPolarHBondContact OG-CA 3.45Å; S55-A243 PolarHBondContact OG-N 3.04Å; L124-A243 HydrophobicContact CD1-CB 3.99Å; L124-A243 HydrophobicContact CD2-CB 4.31Å; L124-A243 HydrophobicContact CG-CB 3.61Å; N241-A243 PolarHBondContact O-N 3.28Å; N241-A243 WeakPolarHBondContact OD1-CA 3.18Å; N241-A243 VanDerWaalsContact OD1-CB 3.27Å; N241-A243 WeakPolarHBondContact OD1-CB 3.3Å; N241-A243 PolarHBondContact OD1-N 2.98Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 3.03Å; A243-L247 HydrophobicContact CB-CB 4.47Å; A243-L247 HydrophobicContact CB-CD1 3.83Å; A243-L247 HydrophobicContact CB-CG 4.28Å; A243-L247 CarbonylContact O-C 3.59Å; A243-L247 VanDerWaalsContact O-CA 3.29Å; A243-L247 WeakPolarHBondContact O-CA 3.45Å; A243-L247 VanDerWaalsContact O-CB 3.22Å; A243-L247 WeakPolarHBondContact O-CB 3.27Å; A243-L247 PolarHBondContact O-N 3.4Å; A243-S248 PolarHBondContact O-N 2.5Å; A243-S248 VanDerWaalsContact O-N 3.15Å
244A88.1Confident84.3Confident0 Ų035.1 Ų35.10%017%0.172CC..Hα-helixtrans-66-32.5175.700000111.8M23 F24 N241 S248M23-A244 HydrophobicContact CB-CB 4.38Å; M23-A244 HydrophobicContact CE-CB 3.77Å; F24-A244 HydrophobicContact CD1-CB 4.46Å; F24-A244 HydrophobicContact CE1-CB 3.69Å; F24-A244 HydrophobicContact CZ-CB 3.77Å; N241-A244 HydrophobicContact CB-CB 3.87Å; N241-A244 WeakPolarHBondContact O-CB 3.22Å; N241-A244 PolarHBondContact O-N 3.21Å; N241-A244 PolarHBondContact OD1-N 3.3Å; N241-A244 VanDerWaalsContact OD1-N 3.09Å; A244-S248 WeakPolarHBondContact O-CB 3.38Å; A244-S248 PolarHBondContact O-OG 2.73Å
245V84.4Confident85.2Confident11 Ų1136.2 Ų36.27%0.06718%0.178CC..Hα-helixtrans-77.3-46.4177176.50000111.8L183 I187 Y235 N241 P242 A243L183-V245 HydrophobicContact CD2-CG1 4.14Å; I187-V245 HydrophobicContact CG1-CG2 4.33Å; Y235-V245 HydrophobicContact CD1-CG2 4.2Å; Y235-V245 HydrophobicContact CD2-CG2 4Å; Y235-V245 HydrophobicContact CE2-CG2 4.43Å; Y235-V245 HydrophobicContact CG-CG2 3.87Å; N241-V245 PolarHBondContact O-N 3.22Å; P242-V245 PolarHBondContact O-N 3.24Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 3.03Å
246Y87.9Confident86.2Confident6 Ų635.6 Ų35.62%0.02418%0.177CC..Hα-helixtrans-100.9-25.2-167.5-62.1-61.8000114.5S55 L56 R59 L183 P242 L583S55-Y246 WeakPolarHBondContact O-CB 3.45Å; L56-Y246 HydrophobicContact CB-CD2 4.27Å; L56-Y246 HydrophobicContact CB-CE2 4.18Å; R59-Y246 HydrophobicContact CB-CD1 4.32Å; R59-Y246 HydrophobicContact CB-CG 4.44Å; R59-Y246 WeakPolarHBondContact CD-O 3.27Å; R59-Y246 HydrophobicContact CG-CD1 4.14Å; L183-Y246 HydrophobicContact CB-CD1 4.48Å; L183-Y246 HydrophobicContact CB-CE1 4.05Å; L183-Y246 PolarHBondContact O-OH 2.94Å; P242-Y246 HydrophobicContact CB-CD2 4Å; P242-Y246 HydrophobicContact CB-CE2 4.15Å; P242-Y246 VanDerWaalsContact O-CB 3.31Å; P242-Y246 WeakPolarHBondContact O-CB 3.48Å; P242-Y246 WeakPolarHBondContact O-CD2 3.4Å; P242-Y246 PolarHBondContact O-N 3.36Å; Y246-L583 HydrophobicContact CE2-CD2 4.25Å
247L90.5Very high87.3Confident6 Ų628.6 Ų28.63%0.03115%0.151CC..THydrogen-bonded Turntrans-111.1-21.2-173.4-53.3-178.4000114.2I27 A58 V71 L124 A243 K249 L254 V256I27-L247 HydrophobicContact CD1-CB 4.13Å; A58-L247 HydrophobicContact CB-CD2 3.68Å; V71-L247 HydrophobicContact CG1-CD1 4.41Å; V71-L247 HydrophobicContact CG2-CD2 4.47Å; L124-L247 HydrophobicContact CD1-CD1 4.48Å; A243-L247 HydrophobicContact CB-CB 4.47Å; A243-L247 HydrophobicContact CB-CD1 3.83Å; A243-L247 HydrophobicContact CB-CG 4.28Å; A243-L247 CarbonylContact O-C 3.59Å; A243-L247 VanDerWaalsContact O-CA 3.29Å; A243-L247 WeakPolarHBondContact O-CA 3.45Å; A243-L247 VanDerWaalsContact O-CB 3.22Å; A243-L247 WeakPolarHBondContact O-CB 3.27Å; A243-L247 PolarHBondContact O-N 3.4Å; L247-K249 VanDerWaalsContact C-N 3.28Å; L247-K249 PolarHBondContact O-N 2.72Å; L247-L254 HydrophobicContact CD2-CD2 3.98Å; L247-V256 HydrophobicContact CB-CG2 4.26Å; L247-V256 HydrophobicContact CD1-CG1 4.41Å; L247-V256 HydrophobicContact CD1-CG2 4.13Å; L247-V256 HydrophobicContact CD2-CG2 4.43Å
248S83.1Confident88.4Confident24 Ų2428.9 Ų28.917%0.16815%0.151CC..SBendtrans-61.2-32.9-175.562.80000114.3M23 A243 A244 E250M23-S248 WeakPolarHBondContact O-CB 3.21Å; A243-S248 PolarHBondContact O-N 2.5Å; A243-S248 VanDerWaalsContact O-N 3.15Å; A244-S248 WeakPolarHBondContact O-CB 3.38Å; A244-S248 PolarHBondContact O-OG 2.73Å; S248-E250 PolarHBondContact O-N 2.88Å
249K79.9Confident89.2Confident116 Ų11631.1 Ų31.150%0.50416%0.161SC..SBendtrans-78112.8177.5-176.6172.5-177171.80109.7L247L247-K249 VanDerWaalsContact C-N 3.28Å; L247-K249 PolarHBondContact O-N 2.72Å
250E79.2Confident89.6Confident139 Ų13931.1 Ų31.165%0.6516%0.161SC*.  trans-50.9137.6176.5-68.8-177-174.400112.7G26 S248G26-E250 VanDerWaalsContact CA-OE1 3.3Å; G26-E250 WeakPolarHBondContact CA-OE1 3.08Å; S248-E250 PolarHBondContact O-N 2.88Å
251R88.6Confident90.1Very high60 Ų6032.2 Ų32.223%0.22617%0.167CC..  trans-140.3132.5170.9-71.4179.7167.7-96-4.9108R59 A62 A63 N253 L254R59-R251 VanDerWaalsContact NH2-NH2 3.18Å; A62-R251 PolarHBondContact O-NH1 3.26Å; A63-R251 PolarHBondContact O-NH1 3.38Å; R251-N253 PolarHBondContact O-N 3.45Å; R251-L254 HydrophobicContact CB-CB 4.02Å; R251-L254 PolarHBondContact O-N 2.99Å; R251-L254 VanDerWaalsContact O-N 3.09Å
252P89.3Confident90.5Very high135 Ų13532.5 Ų32.588%0.87717%0.169SC*.THydrogen-bonded Turntrans-62.7-22-175.525.1-34.9000113.6
253N93.4Very high90.8Very high14 Ų1433.1 Ų33.18%0.07517%0.174CC..THydrogen-bonded Turntrans-100.53.3-178.770-57.1000114.1A62 G65 Q67 R68 I69 R251A62-N253 WeakPolarHBondContact CA-ND2 2.98Å; A62-N253 PolarHBondContact O-ND2 3.38Å; A62-N253 VanDerWaalsContact O-ND2 3.09Å; G65-N253 WeakPolarHBondContact CA-ND2 3.34Å; Q67-N253 WeakPolarHBondContact O-CB 3.31Å; Q67-N253 PolarHBondContact O-ND2 2.91Å; R68-N253 CarbonylContact C-O 3.6Å; R68-N253 WeakPolarHBondContact CA-O 3.35Å; I69-N253 PolarHBondContact N-O 3.41Å; R251-N253 PolarHBondContact O-N 3.45Å
254L94.4Very high91Very high19 Ų1937.1 Ų37.110%0.09919%0.192CC..EExtended strand (participates in β ladder)trans-120.8117.7178.3174.159.5000109.8A58 A62 I69 V71 L247 R251 V256A58-L254 HydrophobicContact CB-CD1 3.94Å; A62-L254 HydrophobicContact CB-CB 3.99Å; A62-L254 HydrophobicContact CB-CD2 4.3Å; I69-L254 HydrophobicContact CB-CD1 3.81Å; I69-L254 HydrophobicContact CG2-CD1 3.77Å; V71-L254 HydrophobicContact CG2-CD1 4Å; L247-L254 HydrophobicContact CD2-CD2 3.98Å; R251-L254 HydrophobicContact CB-CB 4.02Å; R251-L254 PolarHBondContact O-N 2.99Å; R251-L254 VanDerWaalsContact O-N 3.09Å; L254-V256 HydrophobicContact CG-CG2 4.44Å
255V94Very high91.4Very high29 Ų2937.3 Ų37.318%0.17619%0.193CC..EExtended strand (participates in β ladder)trans-111.5130.4177.4-175.50000108.5I38 F43 I69 L70 V71 I257I38-V255 HydrophobicContact CG2-CG1 4.08Å; F43-V255 HydrophobicContact CE1-CB 4.16Å; F43-V255 HydrophobicContact CE1-CG2 3.97Å; F43-V255 HydrophobicContact CZ-CG2 4.43Å; I69-V255 PolarHBondContact O-N 3.28Å; L70-V255 CarbonylContact C-O 3.57Å; L70-V255 WeakPolarHBondContact CA-O 3.46Å; L70-V255 HydrophobicContact CD1-CB 4.14Å; L70-V255 HydrophobicContact CD1-CG1 4.07Å; V71-V255 PolarHBondContact N-O 2.99Å; V255-I257 HydrophobicContact CG1-CD1 3.71Å; V255-I257 HydrophobicContact CG1-CG1 4.06Å
256V94.5Very high92.1Very high14 Ų1438.8 Ų38.89%0.08520%0.198CC..EExtended strand (participates in β ladder)trans-117.6124.9174.8-175.60000108I27 V71 L124 L247 L254I27-V256 HydrophobicContact CD1-CB 4.08Å; I27-V256 HydrophobicContact CD1-CG1 4.09Å; I27-V256 HydrophobicContact CD1-CG2 4.18Å; I27-V256 HydrophobicContact CG1-CB 4.19Å; I27-V256 HydrophobicContact CG2-CB 4.37Å; I27-V256 HydrophobicContact CG2-CG1 4.16Å; V71-V256 HydrophobicContact CB-CB 4.44Å; V71-V256 HydrophobicContact CB-CG1 4.2Å; V71-V256 HydrophobicContact CB-CG2 4.15Å; V71-V256 HydrophobicContact CG1-CG1 4.36Å; V71-V256 HydrophobicContact CG2-CG2 4.35Å; L124-V256 HydrophobicContact CD1-CG1 3.88Å; L247-V256 HydrophobicContact CB-CG2 4.26Å; L247-V256 HydrophobicContact CD1-CG1 4.41Å; L247-V256 HydrophobicContact CD1-CG2 4.13Å; L247-V256 HydrophobicContact CD2-CG2 4.43Å; L254-V256 HydrophobicContact CG-CG2 4.44Å
257I94.3Very high92.5Very high1 Ų141.6 Ų41.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-118.8116.5179.1-52.9-63.1000108.5V31 L35 I38 F39 L70 V71 L72 E73 V255 A260V31-I257 HydrophobicContact CB-CD1 4.23Å; V31-I257 HydrophobicContact CG1-CD1 3.29Å; L35-I257 HydrophobicContact CD2-CD1 3.92Å; L35-I257 HydrophobicContact CD2-CG1 4.32Å; L35-I257 HydrophobicContact CD2-CG2 3.79Å; I38-I257 HydrophobicContact CD1-CD1 4.24Å; F39-I257 HydrophobicContact CE1-CG1 4.46Å; F39-I257 HydrophobicContact CZ-CG1 4.38Å; L70-I257 HydrophobicContact CD1-CG1 3.66Å; V71-I257 PolarHBondContact O-N 2.68Å; L72-I257 HydrophobicContact CD2-CB 4.28Å; E73-I257 PolarHBondContact N-O 2.83Å; V255-I257 HydrophobicContact CG1-CD1 3.71Å; V255-I257 HydrophobicContact CG1-CG1 4.06Å; I257-A260 HydrophobicContact CB-CB 4.32Å; I257-A260 HydrophobicContact CG2-CB 3.68Å
258C93.6Very high92.6Very high12 Ų1245 Ų458%0.08123%0.226CC..SBendtrans-84.1168.1171.8-67.10000111.1E73 G75 A260E73-C258 CarbonylContact O-C 3.49Å; E73-C258 VanDerWaalsContact O-C 3.23Å; E73-C258 WeakPolarHBondContact O-CA 3.35Å; G75-C258 WeakPolarHBondContact O-CA 3.41Å; G75-C258 VanDerWaalsContact O-CB 3.3Å; G75-C258 WeakPolarHBondContact O-CB 3.44Å; C258-A260 PolarHBondContact O-N 3.23Å; C258-A260 VanDerWaalsContact O-N 3.08Å
259H94Very high93Very high60 Ų6053.7 Ų53.728%0.27826%0.264SS..SBendtrans51.630.2-177.9-52.3-71.8000113.6E73 A74 G75 G76 L282 L283E73-H259 PolarHBondContact O-N 3.49Å; A74-H259 WeakPolarHBondContact O-CA 3.28Å; G75-H259 PolarHBondContact O-N 3.5Å; G76-H259 WeakPolarHBondContact CA-CE1 3.22Å; G76-H259 VanDerWaalsContact CA-NE2 3.34Å; G76-H259 WeakPolarHBondContact CA-NE2 3.46Å; G76-H259 PolarHBondContact N-CE1 3.24Å; H259-L282 HydrophobicContact CB-CB 4.34Å; H259-L282 VanDerWaalsContact O-CB 3.32Å; H259-L282 WeakPolarHBondContact O-CB 2.96Å; H259-L282 WeakPolarHBondContact O-CG 3.09Å; H259-L282 PolarHBondContact O-N 3Å; H259-L283 HydrophobicContact CB-CD1 4.12Å; H259-L283 HydrophobicContact CB-CD2 4.14Å; H259-L283 HydrophobicContact CB-CG 3.74Å
260A95.3Very high93.4Very high3 Ų351.8 Ų51.83%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-120.2106.1-177.800000110.2L72 E73 I257 C258 V279 R280L72-A260 HydrophobicContact CD2-CB 3.99Å; E73-A260 CarbonylContact C-O 3.59Å; E73-A260 PolarHBondContact O-N 3.03Å; I257-A260 HydrophobicContact CB-CB 4.32Å; I257-A260 HydrophobicContact CG2-CB 3.68Å; C258-A260 PolarHBondContact O-N 3.23Å; C258-A260 VanDerWaalsContact O-N 3.08Å; A260-V279 HydrophobicContact CB-CG1 3.78Å; A260-R280 WeakPolarHBondContact CA-O 3.5Å
261E96.3Very high93.9Very high26 Ų2646.6 Ų46.612%0.12126%0.257CS..EExtended strand (participates in β ladder)trans-89.4118179.3-174.3-178.3-17300110.5A74 A263 V279 R280 L282 K307A74-E261 HydrophobicContact CB-CB 4.41Å; E261-A263 PolarHBondContact O-N 3.01Å; E261-V279 CarbonylContact O-C 3.57Å; E261-V279 WeakPolarHBondContact O-CA 3.24Å; E261-R280 PolarHBondContact N-O 3.4Å; E261-R280 PolarHBondContact O-N 3.48Å; E261-L282 HydrophobicContact CB-CD1 4.23Å; E261-L282 HydrophobicContact CB-CD2 4Å; E261-L282 HydrophobicContact CB-CG 4.21Å; E261-K307 IonicContact OE1-NZ 2.68Å; E261-K307 PolarHBondContact OE1-NZ 3.48Å
262A97.9Very high94Very high7 Ų753.8 Ų53.86%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-69.8113.4165.600000109.6V48 L72 V277 I308V48-A262 HydrophobicContact CB-CB 4.33Å; V48-A262 HydrophobicContact CG1-CB 3.44Å; V48-A262 VanDerWaalsContact CG1-CB 3.44Å; V48-A262 HydrophobicContact CG2-CB 3.88Å; L72-A262 HydrophobicContact CD1-CB 4.38Å; A262-V277 HydrophobicContact CB-CG2 3.74Å; A262-I308 HydrophobicContact CB-CD1 4.1Å; A262-I308 WeakPolarHBondContact O-CG1 3.18Å
263A95.7Very high94.3Very high13 Ų1349.4 Ų49.411%0.10726%0.256CS..EExtended strand (participates in β ladder)trans-87.7-47.6-176.100000112.5E261 K278 Q311E261-A263 PolarHBondContact O-N 3.01Å; A263-K278 PolarHBondContact N-O 2.98Å; A263-Q311 PolarHBondContact O-NE2 3.4Å; A263-Q311 VanDerWaalsContact O-NE2 3.13Å
264K95.9Very high94.5Very high85 Ų8548.8 Ų48.837%0.3725%0.253SS..EExtended strand (participates in β ladder)trans-157.7154.8178.669.8177.4-174.8-178.30112.5K278 Q311 S312K264-K278 HydrophobicContact CG-CB 3.98Å; K264-K278 PolarHBondContact O-N 3.4Å; K264-Q311 HydrophobicContact CB-CB 4.26Å; K264-S312 WeakPolarHBondContact CA-OG 3.26Å
265L98.3Very high94.7Very high4 Ų449.7 Ų49.72%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-91.5146.9170.5-46.9-175.8000109.9V274 V277 I296 L298 I308 S312 V562L265-V274 HydrophobicContact CB-CG1 3.77Å; L265-V277 HydrophobicContact CD2-CB 4.12Å; L265-V277 HydrophobicContact CD2-CG2 3.97Å; L265-I296 HydrophobicContact CD2-CD1 3.99Å; L265-I296 HydrophobicContact CD2-CG2 3.84Å; L265-L298 HydrophobicContact CD1-CD1 4.19Å; L265-L298 HydrophobicContact CD1-CD2 4.32Å; L265-L298 HydrophobicContact CD1-CG 4.48Å; L265-L298 HydrophobicContact CD2-CD2 4.28Å; L265-I308 HydrophobicContact CD1-CG2 4.44Å; L265-I308 HydrophobicContact CD2-CG2 4.06Å; L265-I308 HydrophobicContact CG-CG2 3.84Å; L265-S312 PolarHBondContact N-OG 2.77Å; L265-V562 HydrophobicContact CD1-CB 4.44Å; L265-V562 HydrophobicContact CD1-CG1 3.68Å; L265-V562 HydrophobicContact CD1-CG2 3.83Å
266F97.5Very high94.9Very high41 Ų4148.3 Ų48.318%0.1825%0.249CC..EExtended strand (participates in β ladder)trans-153.9164.2175.865-80.6000112.8K268 N275 A276 K278 D289F266-K268 HydrophobicContact CE2-CG 4.03Å; F266-N275 PolarHBondContact O-N 3.11Å; F266-A276 HydrophobicContact CD1-CB 4.09Å; F266-A276 HydrophobicContact CD2-CB 4.04Å; F266-A276 HydrophobicContact CE1-CB 3.61Å; F266-A276 HydrophobicContact CE2-CB 3.56Å; F266-A276 HydrophobicContact CG-CB 4.29Å; F266-A276 HydrophobicContact CZ-CB 3.31Å; F266-A276 PolarHBondContact N-O 2.93Å; F266-A276 PolarHBondContact O-N 3.3Å; F266-K278 HydrophobicContact CD1-CB 4.4Å; F266-K278 HydrophobicContact CE1-CB 4.04Å; F266-D289 HydrophobicContact CE1-CB 4.46Å; F266-D289 HydrophobicContact CZ-CB 3.78Å; F266-D289 VanDerWaalsContact CZ-CG 3.4Å
267Q96.3Very high95.1Very high66 Ų6647.6 Ų47.631%0.30825%0.245SC..PPolyproline II helixtrans-97.4124.9173.3-61.8172.4-45.100107.6Y272 V274Q267-Y272 PolarHBondContact NE2-O 3.47Å; Q267-V274 HydrophobicContact CG-CB 4.44Å; Q267-V274 HydrophobicContact CG-CG2 3.91Å
268K93.6Very high95.2Very high78 Ų7850.1 Ų50.134%0.33926%0.256SS..PPolyproline II helixtrans-66.1153.1167.9-70.6-170168.4-164.60110.1F266 G270 S271 N275 A276 S291F266-K268 HydrophobicContact CE2-CG 4.03Å; K268-G270 PolarHBondContact O-N 3.17Å; K268-S271 WeakPolarHBondContact O-CB 3.2Å; K268-S271 PolarHBondContact O-N 2.95Å; K268-N275 PolarHBondContact N-OD1 3.15Å; K268-A276 HydrophobicContact CD-CB 4.46Å; K268-A276 HydrophobicContact CG-CB 4.05Å; K268-S291 WeakPolarHBondContact CE-OG 3.42Å; K268-S291 PolarHBondContact NZ-OG 2.89Å
269Q90.3Very high95.4Very high205 Ų20549.6 Ų49.696%0.95825%0.252SS*.THydrogen-bonded Turntrans-53.2132.5179.4-172.4174.91.600110.8S271Q269-S271 VanDerWaalsContact C-N 3.33Å; Q269-S271 PolarHBondContact O-N 3.43Å
270G89.5Confident95.5Very high76 Ų7650.4 Ų50.478%0.78425%0.253SS*.THydrogen-bonded Turntrans84-7.1-177.900000115.7K268K268-G270 PolarHBondContact O-N 3.17Å
271S89.7Confident95.4Very high31 Ų3150.5 Ų50.522%0.21725%0.253CS..  trans-91.6135.8175.8-176.70000112.2K268 Q269 V273 N275K268-S271 WeakPolarHBondContact O-CB 3.2Å; K268-S271 PolarHBondContact O-N 2.95Å; Q269-S271 VanDerWaalsContact C-N 3.33Å; Q269-S271 PolarHBondContact O-N 3.43Å; S271-V273 VanDerWaalsContact C-N 3.3Å; S271-V273 PolarHBondContact OG-N 2.84Å; S271-V273 PolarHBondContact OG-O 2.56Å; S271-N275 WeakPolarHBondContact CB-ND2 3.19Å; S271-N275 PolarHBondContact OG-ND2 2.77Å
272Y90.7Very high95.2Very high210 Ų21051.9 Ų51.982%0.82426%0.261SS*.SBendtrans-87.6-1.1167.6-60.6-76.5000113Q267Q267-Y272 PolarHBondContact NE2-O 3.47Å
273V95.5Very high94.9Very high44 Ų4456.9 Ų56.927%0.26729%0.286SS..SBendtrans-119.7140.9-173.9-1770000109S271 N275 R560S271-V273 VanDerWaalsContact C-N 3.3Å; S271-V273 PolarHBondContact OG-N 2.84Å; S271-V273 PolarHBondContact OG-O 2.56Å; V273-N275 PolarHBondContact O-N 3.03Å; V273-N275 VanDerWaalsContact O-N 3.14Å; V273-R560 HydrophobicContact CB-CB 4.33Å; V273-R560 HydrophobicContact CG1-CB 3.94Å; V273-R560 WeakPolarHBondContact CG1-O 3.1Å; V273-R560 HydrophobicContact CG2-CB 3.95Å
274V97.8Very high94.7Very high1 Ų159.3 Ų59.31%0.00630%0.302CS..  trans-67.7113.3169.9178.60000107.3L265 Q267 I296 Y314 T559 R560 V562L265-V274 HydrophobicContact CB-CG1 3.77Å; Q267-V274 HydrophobicContact CG-CB 4.44Å; Q267-V274 HydrophobicContact CG-CG2 3.91Å; V274-I296 HydrophobicContact CG1-CD1 4.07Å; V274-Y314 WeakPolarHBondContact CG2-OH 3.36Å; V274-T559 HydrophobicContact CG2-CG2 3.63Å; V274-R560 PolarHBondContact N-O 3.2Å; V274-R560 VanDerWaalsContact N-O 3.08Å; V274-V562 HydrophobicContact CB-CG2 3.62Å; V274-V562 HydrophobicContact CG1-CG2 3.62Å; V274-V562 HydrophobicContact CG2-CG2 3.99Å
275N97.7Very high94.5Very high37 Ų3757.6 Ų57.620%0.19831%0.309CS..  trans-135.717.2-167.368.8-18.1000112.4F266 K268 S271 V273 V292F266-N275 PolarHBondContact O-N 3.11Å; K268-N275 PolarHBondContact N-OD1 3.15Å; S271-N275 WeakPolarHBondContact CB-ND2 3.19Å; S271-N275 PolarHBondContact OG-ND2 2.77Å; V273-N275 PolarHBondContact O-N 3.03Å; V273-N275 VanDerWaalsContact O-N 3.14Å; N275-V292 WeakPolarHBondContact CB-O 3.27Å; N275-V292 PolarHBondContact O-N 3.45Å
276A98.3Very high94.3Very high0 Ų061.5 Ų61.50%033%0.33CS..EExtended strand (participates in β ladder)trans-151.5151.5173.500000112.6F266 K268 V290F266-A276 HydrophobicContact CD1-CB 4.09Å; F266-A276 HydrophobicContact CD2-CB 4.04Å; F266-A276 HydrophobicContact CE1-CB 3.61Å; F266-A276 HydrophobicContact CE2-CB 3.56Å; F266-A276 HydrophobicContact CG-CB 4.29Å; F266-A276 HydrophobicContact CZ-CB 3.31Å; F266-A276 PolarHBondContact N-O 2.93Å; F266-A276 PolarHBondContact O-N 3.3Å; K268-A276 HydrophobicContact CD-CB 4.46Å; K268-A276 HydrophobicContact CG-CB 4.05Å; A276-V290 CarbonylContact C-O 3.59Å; A276-V290 WeakPolarHBondContact CA-O 3.49Å; A276-V290 WeakPolarHBondContact CB-O 3.35Å
277V98.4Very high94.1Very high0 Ų063.3 Ų63.30%034%0.344CS..EExtended strand (participates in β ladder)trans-123.5134.1171.258.40000109.3V46 L72 A262 L265 V279 V290 I296V46-V277 HydrophobicContact CG1-CG1 3.99Å; L72-V277 HydrophobicContact CD1-CG1 4.12Å; A262-V277 HydrophobicContact CB-CG2 3.74Å; L265-V277 HydrophobicContact CD2-CB 4.12Å; L265-V277 HydrophobicContact CD2-CG2 3.97Å; V277-V279 HydrophobicContact CG1-CG2 3.95Å; V277-V279 HydrophobicContact CG2-CG2 4.23Å; V277-V290 HydrophobicContact CG1-CB 3.92Å; V277-V290 PolarHBondContact N-O 2.91Å; V277-V290 PolarHBondContact O-N 3.42Å; V277-I296 HydrophobicContact CB-CD1 4.31Å
278K97.7Very high94.2Very high54 Ų5461.7 Ų61.724%0.23534%0.335CS..EExtended strand (participates in β ladder)trans-85121.4172.1-175.7168.9-68.8-65.60108.1A263 K264 F266 V287 Y288 D289A263-K278 PolarHBondContact N-O 2.98Å; K264-K278 HydrophobicContact CG-CB 3.98Å; K264-K278 PolarHBondContact O-N 3.4Å; F266-K278 HydrophobicContact CD1-CB 4.4Å; F266-K278 HydrophobicContact CE1-CB 4.04Å; K278-V287 HydrophobicContact CD-CG1 3.76Å; K278-V287 HydrophobicContact CG-CG1 3.53Å; K278-Y288 CarbonylContact C-O 3.55Å; K278-Y288 VanDerWaalsContact CA-O 3.32Å; K278-Y288 WeakPolarHBondContact CA-O 3.43Å; K278-D289 WeakPolarHBondContact CE-OD1 3.36Å; K278-D289 IonicContact NZ-OD1 3.96Å; K278-D289 PolarHBondContact NZ-OD1 3.31Å; K278-D289 IonicContact NZ-OD2 2.67Å; K278-D289 PolarHBondContact NZ-OD2 2.71Å
279V97.5Very high94.3Very high1 Ų161.4 Ų61.41%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-116.3130.8-175.1-175.60000109L72 A260 E261 V277 V287 Y288 V290L72-V279 HydrophobicContact CD1-CG1 4.39Å; L72-V279 HydrophobicContact CD1-CG2 3.47Å; L72-V279 VanDerWaalsContact CD1-CG2 3.47Å; L72-V279 HydrophobicContact CD2-CG1 4.08Å; L72-V279 HydrophobicContact CD2-CG2 4.31Å; A260-V279 HydrophobicContact CB-CG1 3.78Å; E261-V279 CarbonylContact O-C 3.57Å; E261-V279 WeakPolarHBondContact O-CA 3.24Å; V277-V279 HydrophobicContact CG1-CG2 3.95Å; V277-V279 HydrophobicContact CG2-CG2 4.23Å; V279-V287 CarbonylContact O-C 3.5Å; V279-V287 WeakPolarHBondContact O-CA 3.48Å; V279-Y288 PolarHBondContact N-O 3.3Å; V279-Y288 PolarHBondContact O-N 2.78Å; V279-V290 HydrophobicContact CB-CG2 4.29Å; V279-V290 HydrophobicContact CG2-CB 4.39Å; V279-V290 HydrophobicContact CG2-CG2 3.63Å
280R95.2Very high94.7Very high76 Ų7651.6 Ų51.629%0.28729%0.292SS..EExtended strand (participates in β ladder)trans-100.8123171.2-177-175.9-64172.71.4108.5A260 E261 L282 K463A260-R280 WeakPolarHBondContact CA-O 3.5Å; E261-R280 PolarHBondContact N-O 3.4Å; E261-R280 PolarHBondContact O-N 3.48Å; R280-L282 HydrophobicContact CG-CD2 4.2Å; R280-L282 PolarHBondContact O-N 3.25Å; R280-K463 PolarHBondContact NH2-O 3.46Å
281D94.5Very high95.1Very high5 Ų549.2 Ų49.23%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-73.1115.6165.2175.61.2000108.3Q32 L35 L283 S284 G285 N286 Y288Q32-D281 PolarHBondContact NE2-OD1 3.29Å; Q32-D281 PolarHBondContact NE2-OD2 3.07Å; L35-D281 HydrophobicContact CD1-CB 4.08Å; D281-L283 VanDerWaalsContact C-N 3.28Å; D281-L283 PolarHBondContact O-N 3.25Å; D281-L283 WeakPolarHBondContact OD1-CA 3.43Å; D281-L283 WeakPolarHBondContact OD1-CB 3.38Å; D281-L283 PolarHBondContact OD1-N 2.97Å; D281-S284 WeakPolarHBondContact CB-OG 3.33Å; D281-S284 PolarHBondContact OD1-N 3.42Å; D281-S284 VanDerWaalsContact OD2-CB 3.26Å; D281-S284 WeakPolarHBondContact OD2-CB 3.46Å; D281-S284 PolarHBondContact OD2-N 3.18Å; D281-S284 PolarHBondContact OD2-OG 3.44Å; D281-G285 WeakPolarHBondContact O-CA 3.47Å; D281-G285 PolarHBondContact O-N 3.45Å; D281-N286 PolarHBondContact N-O 3.24Å; D281-Y288 HydrophobicContact CB-CE2 4.16Å
282L92.1Very high95.5Very high56 Ų5648.1 Ų48.129%0.29326%0.255SS..THydrogen-bonded Turntrans-78.2-12.1-178.4-59.6-178.9000113.2A74 H259 E261 R280A74-L282 HydrophobicContact CB-CD1 4.4Å; A74-L282 WeakPolarHBondContact O-CD1 3.2Å; H259-L282 HydrophobicContact CB-CB 4.34Å; H259-L282 VanDerWaalsContact O-CB 3.32Å; H259-L282 WeakPolarHBondContact O-CB 2.96Å; H259-L282 WeakPolarHBondContact O-CG 3.09Å; H259-L282 PolarHBondContact O-N 3Å; E261-L282 HydrophobicContact CB-CD1 4.23Å; E261-L282 HydrophobicContact CB-CD2 4Å; E261-L282 HydrophobicContact CB-CG 4.21Å; R280-L282 HydrophobicContact CG-CD2 4.2Å; R280-L282 PolarHBondContact O-N 3.25Å
283L91Very high95.7Very high112 Ų11244.1 Ų44.159%0.58624%0.239SC*.THydrogen-bonded Turntrans-88.3-46.1175.9-59.2-179.4000111.7Q32 H259 D281Q32-L283 HydrophobicContact CG-CD1 4.1Å; H259-L283 HydrophobicContact CB-CD1 4.12Å; H259-L283 HydrophobicContact CB-CD2 4.14Å; H259-L283 HydrophobicContact CB-CG 3.74Å; D281-L283 VanDerWaalsContact C-N 3.28Å; D281-L283 PolarHBondContact O-N 3.25Å; D281-L283 WeakPolarHBondContact OD1-CA 3.43Å; D281-L283 WeakPolarHBondContact OD1-CB 3.38Å; D281-L283 PolarHBondContact OD1-N 2.97Å
284S91.2Very high95.7Very high63 Ų6344.3 Ų44.344%0.44124%0.236SC..THydrogen-bonded Turntrans-95.4-20.8-179.670.10000114.7D281 N286D281-S284 WeakPolarHBondContact CB-OG 3.33Å; D281-S284 PolarHBondContact OD1-N 3.42Å; D281-S284 VanDerWaalsContact OD2-CB 3.26Å; D281-S284 WeakPolarHBondContact OD2-CB 3.46Å; D281-S284 PolarHBondContact OD2-N 3.18Å; D281-S284 PolarHBondContact OD2-OG 3.44Å; S284-N286 PolarHBondContact O-N 3.47Å; S284-N286 WeakPolarHBondContact OG-CB 3.29Å; S284-N286 PolarHBondContact OG-N 3.13Å; S284-N286 PolarHBondContact OG-ND2 2.83Å
285G91.3Very high95.7Very high50 Ų5044.5 Ų44.552%0.51524%0.237SC..  trans80.6-3.4-17100000114.5D281D281-G285 WeakPolarHBondContact O-CA 3.47Å; D281-G285 PolarHBondContact O-N 3.45Å
286N93.8Very high95.8Very high85 Ų8542.8 Ų42.846%0.45523%0.227SC..  trans-64.5153.3177.9-71.3-23000111.9D281 S284 Y288D281-N286 PolarHBondContact N-O 3.24Å; S284-N286 PolarHBondContact O-N 3.47Å; S284-N286 WeakPolarHBondContact OG-CB 3.29Å; S284-N286 PolarHBondContact OG-N 3.13Å; S284-N286 PolarHBondContact OG-ND2 2.83Å; N286-Y288 HydrophobicContact CB-CE2 3.71Å
287V94.8Very high95.8Very high79 Ų7942.8 Ų42.848%0.47923%0.227SC..EExtended strand (participates in β ladder)trans-123.6127.7-179-179.70000109.8K278 V279K278-V287 HydrophobicContact CD-CG1 3.76Å; K278-V287 HydrophobicContact CG-CG1 3.53Å; V279-V287 CarbonylContact O-C 3.5Å; V279-V287 WeakPolarHBondContact O-CA 3.48Å
288Y97.1Very high95.8Very high32 Ų3242.8 Ų42.813%0.12523%0.227CC..EExtended strand (participates in β ladder)trans-117.4147.4-175.2-64.3-80.9000111.6L35 D36 F39 K278 V279 D281 N286L35-Y288 HydrophobicContact CB-CE1 4.41Å; L35-Y288 HydrophobicContact CB-CE2 4.17Å; L35-Y288 HydrophobicContact CD1-CD2 4.42Å; L35-Y288 HydrophobicContact CD1-CE2 3.79Å; D36-Y288 WeakPolarHBondContact OD1-CE1 3.32Å; D36-Y288 PolarHBondContact OD1-OH 3.11Å; F39-Y288 AromaticContact CD2-CD1 3.73Å; F39-Y288 HydrophobicContact CD2-CD1 3.73Å; F39-Y288 HydrophobicContact CD2-CD2 4.02Å; F39-Y288 HydrophobicContact CD2-CE1 4.37Å; F39-Y288 AromaticContact CD2-CG 3.51Å; F39-Y288 HydrophobicContact CD2-CG 3.51Å; F39-Y288 HydrophobicContact CE2-CD1 4.49Å; F39-Y288 AromaticContact CE2-CD2 3.97Å; F39-Y288 HydrophobicContact CE2-CD2 3.97Å; F39-Y288 AromaticContact CE2-CG 3.9Å; F39-Y288 HydrophobicContact CE2-CG 3.9Å; K278-Y288 CarbonylContact C-O 3.55Å; K278-Y288 VanDerWaalsContact CA-O 3.32Å; K278-Y288 WeakPolarHBondContact CA-O 3.43Å; V279-Y288 PolarHBondContact N-O 3.3Å; V279-Y288 PolarHBondContact O-N 2.78Å; D281-Y288 HydrophobicContact CB-CE2 4.16Å; N286-Y288 HydrophobicContact CB-CE2 3.71Å
289D97.1Very high95.8Very high72 Ų7240.6 Ų40.639%0.38522%0.22SC..EExtended strand (participates in β ladder)trans-110.591.7173-81.4-3.6000109.4F266 K278F266-D289 HydrophobicContact CE1-CB 4.46Å; F266-D289 HydrophobicContact CZ-CB 3.78Å; F266-D289 VanDerWaalsContact CZ-CG 3.4Å; K278-D289 WeakPolarHBondContact CE-OD1 3.36Å; K278-D289 IonicContact NZ-OD1 3.96Å; K278-D289 PolarHBondContact NZ-OD1 3.31Å; K278-D289 IonicContact NZ-OD2 2.67Å; K278-D289 PolarHBondContact NZ-OD2 2.71Å
290V97.9Very high95.9Very high0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-82.9125.6-174.7-1750000110F39 F43 V46 L70 A276 V277 V279F39-V290 HydrophobicContact CB-CG2 4.26Å; F39-V290 HydrophobicContact CD1-CB 4.49Å; F39-V290 HydrophobicContact CD1-CG1 4.09Å; F39-V290 HydrophobicContact CD1-CG2 3.58Å; F39-V290 HydrophobicContact CD2-CG2 3.96Å; F39-V290 HydrophobicContact CE1-CG1 4.49Å; F39-V290 HydrophobicContact CE1-CG2 3.8Å; F39-V290 HydrophobicContact CE2-CG2 4.13Å; F39-V290 HydrophobicContact CG-CG2 3.68Å; F39-V290 HydrophobicContact CZ-CG2 4.05Å; F43-V290 HydrophobicContact CD2-CG1 3.85Å; F43-V290 HydrophobicContact CE2-CG1 4.17Å; V46-V290 HydrophobicContact CG2-CG1 4.35Å; L70-V290 HydrophobicContact CD2-CG1 3.75Å; A276-V290 CarbonylContact C-O 3.59Å; A276-V290 WeakPolarHBondContact CA-O 3.49Å; A276-V290 WeakPolarHBondContact CB-O 3.35Å; V277-V290 HydrophobicContact CG1-CB 3.92Å; V277-V290 PolarHBondContact N-O 2.91Å; V277-V290 PolarHBondContact O-N 3.42Å; V279-V290 HydrophobicContact CB-CG2 4.29Å; V279-V290 HydrophobicContact CG2-CB 4.39Å; V279-V290 HydrophobicContact CG2-CG2 3.63Å
291S97.8Very high96Very high26 Ų2639.1 Ų39.118%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-88.3142.5-177.4-500000112.1P42 F43 K268P42-S291 WeakPolarHBondContact CA-O 3.39Å; F43-S291 PolarHBondContact N-O 2.9Å; K268-S291 WeakPolarHBondContact CE-OG 3.42Å; K268-S291 PolarHBondContact NZ-OG 2.89Å
292V97.7Very high96.1Very high8 Ų839 Ų395%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-131.2129.7-176.2-166.90000110.2F43 D44 V46 N275 I296F43-V292 CarbonylContact O-C 3.5Å; F43-V292 WeakPolarHBondContact O-CA 3.45Å; D44-V292 WeakPolarHBondContact O-CG1 3.37Å; V46-V292 HydrophobicContact CB-CG2 4.02Å; V46-V292 HydrophobicContact CG2-CB 4.35Å; V46-V292 HydrophobicContact CG2-CG1 4.2Å; V46-V292 HydrophobicContact CG2-CG2 3.33Å; N275-V292 WeakPolarHBondContact CB-O 3.27Å; N275-V292 PolarHBondContact O-N 3.45Å; V292-I296 HydrophobicContact CB-CG1 4.08Å; V292-I296 HydrophobicContact CG1-CG1 4.05Å; V292-I296 HydrophobicContact CG2-CD1 4.06Å; V292-I296 HydrophobicContact CG2-CG1 3.72Å
293R95.7Very high96.4Very high126 Ų12636.6 Ų36.648%0.47521%0.212SC..EExtended strand (participates in β ladder)trans-84.2-41.5-178.9-66.1-173.2-74.2-89.2-2112.9P42 F43 D44P42-R293 HydrophobicContact CB-CG 4.02Å; P42-R293 HydrophobicContact CG-CG 4.45Å; P42-R293 PolarHBondContact O-NH1 3.15Å; F43-R293 PolarHBondContact O-N 2.9Å; D44-R293 IonicContact OD1-CZ 3.67Å; D44-R293 VanDerWaalsContact OD1-CZ 3.27Å; D44-R293 IonicContact OD1-NE 2.87Å; D44-R293 PolarHBondContact OD1-NE 3.01Å; D44-R293 IonicContact OD1-NH2 2.72Å; D44-R293 PolarHBondContact OD1-NH2 3.33Å; D44-R293 IonicContact OD2-CZ 3.53Å; D44-R293 IonicContact OD2-NE 2.72Å; D44-R293 IonicContact OD2-NH2 3.54Å; D44-R293 PolarHBondContact OD2-NH2 2.93Å
294K95.9Very high96.7Very high47 Ų4732.2 Ų32.220%0.20419%0.194CC..EExtended strand (participates in β ladder)trans-107.7-82.7-172.5-59.2-175.7170.6-172.50111.9D44 F45 Q67 H597D44-K294 HydrophobicContact CB-CD 4.22Å; D44-K294 HydrophobicContact CB-CG 4.4Å; D44-K294 WeakPolarHBondContact O-CA 3.42Å; D44-K294 VanDerWaalsContact O-CB 3.24Å; D44-K294 WeakPolarHBondContact O-CB 3.08Å; D44-K294 PolarHBondContact O-N 2.96Å; F45-K294 HydrophobicContact CD1-CB 4.26Å; F45-K294 HydrophobicContact CE1-CB 3.8Å; F45-K294 HydrophobicContact CE1-CD 4.37Å; F45-K294 HydrophobicContact CE2-CB 4.39Å; F45-K294 HydrophobicContact CE2-CD 3.68Å; F45-K294 HydrophobicContact CZ-CB 3.89Å; F45-K294 HydrophobicContact CZ-CD 3.57Å; F45-K294 HydrophobicContact CZ-CG 4.36Å; Q67-K294 VanDerWaalsContact OE1-CE 3.29Å; K294-H597 HydrophobicContact CD-CB 4Å; K294-H597 PolarHBondContact NZ-O 3.19Å
295E97.2Very high97.1Very high6 Ų629.2 Ų29.23%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-138.5143.2-175.1-70.2-174-162.400112.9D44 F45 V46 R563 H597D44-E295 PolarHBondContact O-N 2.97Å; F45-E295 WeakPolarHBondContact CA-O 3.17Å; F45-E295 HydrophobicContact CD1-CB 3.95Å; F45-E295 HydrophobicContact CE1-CB 4.03Å; V46-E295 PolarHBondContact N-O 3.43Å; E295-R563 IonicContact OE1-NH2 3.74Å; E295-R563 PolarHBondContact OE1-NH2 3.01Å; E295-R563 IonicContact OE2-CZ 3.54Å; E295-R563 IonicContact OE2-NE 2.74Å; E295-R563 PolarHBondContact OE2-NE 3.37Å; E295-R563 IonicContact OE2-NH2 3.94Å; E295-R563 PolarHBondContact OE2-NH2 3.47Å; E295-H597 VanDerWaalsContact CD-NE2 3.33Å; E295-H597 WeakPolarHBondContact CG-NE2 3.44Å; E295-H597 IonicContact OE1-CD2 3.57Å; E295-H597 IonicContact OE1-CE1 2.73Å; E295-H597 IonicContact OE1-NE2 2.97Å; E295-H597 PolarHBondContact OE1-NE2 2.98Å
296I98.7Very high97.4Very high0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-92.5128162.8-58.2169.7000107.8V46 V48 L265 V274 V277 V292 L298 G561 V562 R563V46-I296 CarbonylContact O-C 3.39Å; V46-I296 WeakPolarHBondContact O-CA 3.04Å; V48-I296 HydrophobicContact CG2-CG2 4.33Å; L265-I296 HydrophobicContact CD2-CD1 3.99Å; L265-I296 HydrophobicContact CD2-CG2 3.84Å; V274-I296 HydrophobicContact CG1-CD1 4.07Å; V277-I296 HydrophobicContact CB-CD1 4.31Å; V292-I296 HydrophobicContact CB-CG1 4.08Å; V292-I296 HydrophobicContact CG1-CG1 4.05Å; V292-I296 HydrophobicContact CG2-CD1 4.06Å; V292-I296 HydrophobicContact CG2-CG1 3.72Å; I296-L298 HydrophobicContact CG2-CD2 4.26Å; I296-G561 PolarHBondContact N-O 3.33Å; I296-V562 WeakPolarHBondContact O-CA 3.41Å; I296-R563 PolarHBondContact O-N 3.4Å
297I98.8Very high97.6Very high0 Ų023.8 Ų23.80%013%0.131CC..EExtended strand (participates in β ladder)trans-113.2111.8-179.9-53.6164.2000108.6F45 V46 I47 V48 L57 L61 R563 V565 I593F45-I297 HydrophobicContact CD1-CD1 4.32Å; V46-I297 PolarHBondContact O-N 2.81Å; I47-I297 CarbonylContact C-O 3.54Å; I47-I297 WeakPolarHBondContact CA-O 3.38Å; I47-I297 HydrophobicContact CG1-CB 4.12Å; I47-I297 HydrophobicContact CG1-CD1 4.01Å; V48-I297 PolarHBondContact N-O 2.84Å; L57-I297 HydrophobicContact CD1-CG2 3.87Å; L61-I297 HydrophobicContact CD1-CD1 3.67Å; I297-R563 CarbonylContact C-O 3.58Å; I297-R563 WeakPolarHBondContact CA-O 3.24Å; I297-R563 HydrophobicContact CG1-CB 4.48Å; I297-V565 HydrophobicContact CG2-CB 4.19Å; I297-V565 HydrophobicContact CG2-CG2 3.72Å; I297-I593 HydrophobicContact CD1-CD1 3.59Å; I297-I593 HydrophobicContact CG1-CD1 4.38Å
298L98.9Very high97.7Very high0 Ų020.4 Ų20.40%011%0.11CC..EExtended strand (participates in β ladder)trans-81.2118.9174.3-58.8-175.9000109.3V48 L265 I296 T305 I308 L309 V562 R563 I564 V565V48-L298 HydrophobicContact CB-CD2 4.03Å; V48-L298 HydrophobicContact CG2-CD2 3.92Å; L265-L298 HydrophobicContact CD1-CD1 4.19Å; L265-L298 HydrophobicContact CD1-CD2 4.32Å; L265-L298 HydrophobicContact CD1-CG 4.48Å; L265-L298 HydrophobicContact CD2-CD2 4.28Å; I296-L298 HydrophobicContact CG2-CD2 4.26Å; L298-T305 HydrophobicContact CB-CG2 4.24Å; L298-T305 HydrophobicContact CD1-CG2 4.1Å; L298-I308 HydrophobicContact CD1-CG2 4.3Å; L298-I308 HydrophobicContact CD2-CD1 4.27Å; L298-I308 HydrophobicContact CD2-CG2 4.06Å; L298-L309 HydrophobicContact CD1-CD2 3.78Å; L298-L309 HydrophobicContact CD1-CG 3.95Å; L298-V562 HydrophobicContact CD1-CG1 4.41Å; L298-V562 HydrophobicContact CG-CG1 4.43Å; L298-R563 PolarHBondContact N-O 3.08Å; L298-I564 HydrophobicContact CB-CG1 4.41Å; L298-I564 HydrophobicContact CB-CG2 4.36Å; L298-I564 HydrophobicContact CD1-CG1 4.41Å; L298-I564 CarbonylContact O-C 3.25Å; L298-I564 WeakPolarHBondContact O-CA 3.4Å; L298-V565 PolarHBondContact O-N 3.08Å
299A98.7Very high97.8Very high9 Ų918.9 Ų18.97%0.07410%0.104CC..  trans-132.736.117400000109.8I47 V48 G301 D566I47-A299 HydrophobicContact CG2-CB 4.34Å; V48-A299 CarbonylContact O-C 3.42Å; V48-A299 WeakPolarHBondContact O-CA 3.46Å; V48-A299 PolarHBondContact O-N 3.41Å; A299-G301 VanDerWaalsContact C-N 3.26Å; A299-G301 PolarHBondContact O-N 3.39Å; A299-D566 WeakPolarHBondContact CA-OD2 3.22Å
300A98.2Very high97.9Very high33 Ų3315.4 Ų15.427%0.2739%0.086SC..SBendtrans-90.511.3-171.100000112.7V48 G304 T305 I308 D566V48-A300 HydrophobicContact CG1-CB 4.16Å; V48-A300 PolarHBondContact O-N 2.83Å; V48-A300 VanDerWaalsContact O-N 3.14Å; A300-G304 WeakPolarHBondContact O-CA 3.29Å; A300-G304 PolarHBondContact O-N 3.49Å; A300-T305 PolarHBondContact N-OG1 2.93Å; A300-I308 HydrophobicContact CB-CD1 4.08Å; A300-D566 PolarHBondContact N-OD2 3.22Å; A300-D566 VanDerWaalsContact N-OD2 3.11Å
301G97.4Very high97.8Very high13 Ų1316.5 Ų16.513%0.1349%0.091CC..Hα-helixtrans74172.9-177.800000113.5A299 I303 G304 T305 D566 E567A299-G301 VanDerWaalsContact C-N 3.26Å; A299-G301 PolarHBondContact O-N 3.39Å; G301-I303 VanDerWaalsContact C-N 3.27Å; G301-I303 PolarHBondContact O-N 3.47Å; G301-I303 VanDerWaalsContact O-N 3.15Å; G301-G304 PolarHBondContact O-N 3.19Å; G301-T305 VanDerWaalsContact O-CB 3.29Å; G301-T305 WeakPolarHBondContact O-CB 3.11Å; G301-T305 PolarHBondContact O-N 2.88Å; G301-D566 PolarHBondContact N-OD2 3.33Å; G301-E567 WeakPolarHBondContact CA-OE1 3.28Å
302A97.7Very high97.8Very high2 Ų215.7 Ų15.72%0.0179%0.085CC..Hα-helixtrans-50.9-44.1-174.200000113.4L540 T543 E567A302-L540 HydrophobicContact CB-CB 4.16Å; A302-L540 WeakPolarHBondContact CB-O 3.25Å; A302-T543 HydrophobicContact CB-CG2 4.25Å; A302-T543 WeakPolarHBondContact O-CB 3.28Å; A302-T543 PolarHBondContact O-OG1 3.21Å; A302-E567 HydrophobicContact CB-CG 4.14Å; A302-E567 PolarHBondContact N-OE1 3.18Å
303I97.6Very high97.8Very high5 Ų515.3 Ų15.33%0.0268%0.083CC..Hα-helixtrans-78.4-51.1-178.6-59.4175.3000111Y99 L118 V120 G301 T305 A306 K307 M337 M455 P467 M469 L540Y99-I303 HydrophobicContact CD2-CD1 3.69Å; Y99-I303 HydrophobicContact CD2-CG2 4.45Å; Y99-I303 HydrophobicContact CE2-CB 4.46Å; Y99-I303 HydrophobicContact CE2-CD1 4.05Å; Y99-I303 HydrophobicContact CE2-CG2 3.85Å; L118-I303 HydrophobicContact CD1-CD1 4.43Å; V120-I303 HydrophobicContact CG2-CD1 4.01Å; G301-I303 VanDerWaalsContact C-N 3.27Å; G301-I303 PolarHBondContact O-N 3.47Å; G301-I303 VanDerWaalsContact O-N 3.15Å; I303-T305 PolarHBondContact O-N 2.74Å; I303-A306 PolarHBondContact O-N 3.03Å; I303-K307 WeakPolarHBondContact O-CB 3.33Å; I303-K307 PolarHBondContact O-N 2.85Å; I303-M337 HydrophobicContact CG1-CE 3.86Å; I303-M455 HydrophobicContact CG2-CE 4.27Å; I303-M455 WeakPolarHBondContact O-CE 3.48Å; I303-P467 HydrophobicContact CG2-CB 3.76Å; I303-P467 HydrophobicContact CG2-CG 3.84Å; I303-M469 HydrophobicContact CD1-CE 3.89Å; I303-M469 HydrophobicContact CD1-CG 3.78Å; I303-M469 HydrophobicContact CD1-SD 3.84Å; I303-M469 HydrophobicContact CG1-CG 4.07Å; I303-M469 HydrophobicContact CG1-SD 4.25Å; I303-M469 HydrophobicContact CG2-SD 4.04Å; I303-L540 HydrophobicContact CD1-CD1 4.07Å
304G97.5Very high97.9Very high20 Ų209.9 Ų9.921%0.2066%0.062CC..Hα-helixtrans-62.5-43.8-17400000112.3A300 G301 K307 I308A300-G304 WeakPolarHBondContact O-CA 3.29Å; A300-G304 PolarHBondContact O-N 3.49Å; G301-G304 PolarHBondContact O-N 3.19Å; G304-K307 WeakPolarHBondContact O-CB 3.44Å; G304-K307 PolarHBondContact O-N 2.75Å; G304-I308 WeakPolarHBondContact O-CG1 3.3Å; G304-I308 PolarHBondContact O-N 3.45Å
305T98.6Very high98Very high0 Ų07.6 Ų7.60%05%0.053CC..Hα-helixtrans-62-49.8178.9-79.10000111.7L298 A300 G301 I303 K307 I308 L309 A544 I564 D566L298-T305 HydrophobicContact CB-CG2 4.24Å; L298-T305 HydrophobicContact CD1-CG2 4.1Å; A300-T305 PolarHBondContact N-OG1 2.93Å; G301-T305 VanDerWaalsContact O-CB 3.29Å; G301-T305 WeakPolarHBondContact O-CB 3.11Å; G301-T305 PolarHBondContact O-N 2.88Å; I303-T305 PolarHBondContact O-N 2.74Å; T305-K307 VanDerWaalsContact C-N 3.31Å; T305-K307 PolarHBondContact O-N 3.37Å; T305-I308 PolarHBondContact O-N 2.87Å; T305-L309 HydrophobicContact CG2-CD1 4.09Å; T305-L309 WeakPolarHBondContact O-CG 3.25Å; T305-L309 PolarHBondContact O-N 3.29Å; T305-A544 HydrophobicContact CG2-CB 4.27Å; T305-I564 HydrophobicContact CG2-CD1 4.07Å; T305-I564 HydrophobicContact CG2-CG1 4.48Å; T305-I564 HydrophobicContact CG2-CG2 3.54Å; T305-D566 WeakPolarHBondContact CB-OD2 3.5Å; T305-D566 PolarHBondContact OG1-OD2 3.37Å
306A98.2Very high98.1Very high0 Ų08.2 Ų8.20%06%0.057CC..Hα-helixtrans-65-35.9178.500000112I303 I308 L309 I310 V333 M455I303-A306 PolarHBondContact O-N 3.03Å; A306-I308 PolarHBondContact O-N 3.39Å; A306-L309 PolarHBondContact O-N 2.69Å; A306-I310 WeakPolarHBondContact O-CB 3.5Å; A306-I310 VanDerWaalsContact O-CG1 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.29Å; A306-I310 PolarHBondContact O-N 2.99Å; A306-V333 HydrophobicContact CB-CG1 3.62Å; A306-M455 HydrophobicContact CB-CE 3.31Å
307K97.7Very high98Very high21 Ų219.4 Ų9.49%0.0917%0.065CC..Hα-helixtrans-59.4-46173.9175.8-174.3-179.4-165.70111.4E261 I303 G304 T305 Q311 M455 L457 F465E261-K307 IonicContact OE1-NZ 2.68Å; E261-K307 PolarHBondContact OE1-NZ 3.48Å; I303-K307 WeakPolarHBondContact O-CB 3.33Å; I303-K307 PolarHBondContact O-N 2.85Å; G304-K307 WeakPolarHBondContact O-CB 3.44Å; G304-K307 PolarHBondContact O-N 2.75Å; T305-K307 VanDerWaalsContact C-N 3.31Å; T305-K307 PolarHBondContact O-N 3.37Å; K307-Q311 WeakPolarHBondContact O-CB 3.44Å; K307-Q311 WeakPolarHBondContact O-CG 3.32Å; K307-Q311 PolarHBondContact O-N 3.27Å; K307-Q311 PolarHBondContact O-NE2 3.05Å; K307-M455 HydrophobicContact CB-CE 4.35Å; K307-L457 HydrophobicContact CB-CD2 4.04Å; K307-L457 HydrophobicContact CG-CD1 4.26Å; K307-L457 HydrophobicContact CG-CD2 3.95Å; K307-F465 WeakPolarHBondContact CE-O 3.45Å
308I98.2Very high98Very high8 Ų815 Ų154%0.04110%0.095CC..Hα-helixtrans-65.5-46.7179.1-68.7164.1000110.6V48 A262 L265 L298 A300 G304 T305 A306 I310 Q311 S312V48-I308 HydrophobicContact CG1-CD1 3.71Å; A262-I308 HydrophobicContact CB-CD1 4.1Å; A262-I308 WeakPolarHBondContact O-CG1 3.18Å; L265-I308 HydrophobicContact CD1-CG2 4.44Å; L265-I308 HydrophobicContact CD2-CG2 4.06Å; L265-I308 HydrophobicContact CG-CG2 3.84Å; L298-I308 HydrophobicContact CD1-CG2 4.3Å; L298-I308 HydrophobicContact CD2-CD1 4.27Å; L298-I308 HydrophobicContact CD2-CG2 4.06Å; A300-I308 HydrophobicContact CB-CD1 4.08Å; G304-I308 WeakPolarHBondContact O-CG1 3.3Å; G304-I308 PolarHBondContact O-N 3.45Å; T305-I308 PolarHBondContact O-N 2.87Å; A306-I308 PolarHBondContact O-N 3.39Å; I308-I310 PolarHBondContact O-N 2.9Å; I308-Q311 PolarHBondContact O-N 3.13Å; I308-S312 VanDerWaalsContact O-CB 3.3Å; I308-S312 WeakPolarHBondContact O-CB 3.25Å; I308-S312 PolarHBondContact O-N 3.37Å; I308-S312 PolarHBondContact O-OG 3.23Å
309L98.6Very high97.9Very high0 Ų015.7 Ų15.70%010%0.098CC..Hα-helixtrans-59.7-48.1-179.9-72.1176.2000112.5L298 T305 A306 Q311 S312 G313 Y314 V333 A544 V549 L556 I564L298-L309 HydrophobicContact CD1-CD2 3.78Å; L298-L309 HydrophobicContact CD1-CG 3.95Å; T305-L309 HydrophobicContact CG2-CD1 4.09Å; T305-L309 WeakPolarHBondContact O-CG 3.25Å; T305-L309 PolarHBondContact O-N 3.29Å; A306-L309 PolarHBondContact O-N 2.69Å; L309-Q311 PolarHBondContact O-N 3.36Å; L309-S312 CarbonylContact O-C 3.53Å; L309-S312 WeakPolarHBondContact O-CA 3.49Å; L309-S312 WeakPolarHBondContact O-CB 3.47Å; L309-S312 PolarHBondContact O-N 3.13Å; L309-G313 PolarHBondContact O-N 2.94Å; L309-Y314 CarbonylContact C-O 2.99Å; L309-Y314 VanDerWaalsContact C-O 3.26Å; L309-Y314 PolarHBondContact O-N 3.33Å; L309-V333 HydrophobicContact CB-CG1 4.04Å; L309-V333 HydrophobicContact CB-CG2 4.36Å; L309-V333 HydrophobicContact CD1-CG1 4.03Å; L309-V333 HydrophobicContact CD1-CG2 3.97Å; L309-A544 HydrophobicContact CD1-CB 4.01Å; L309-V549 HydrophobicContact CD1-CG1 4.33Å; L309-L556 HydrophobicContact CD2-CD1 4.08Å; L309-L556 HydrophobicContact CD2-CD2 3.85Å; L309-I564 HydrophobicContact CD1-CD1 3.66Å; L309-I564 HydrophobicContact CD2-CD1 4.47Å
310I98Very high97.9Very high0 Ų015.3 Ų15.30%010%0.095CC..Hα-helixtrans-62.4-46.9-179.6-66.5166.5000110.1A306 I308 S312 G313 Y314 L320 L323 V333 L457A306-I310 WeakPolarHBondContact O-CB 3.5Å; A306-I310 VanDerWaalsContact O-CG1 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.29Å; A306-I310 PolarHBondContact O-N 2.99Å; I308-I310 PolarHBondContact O-N 2.9Å; I310-S312 PolarHBondContact O-N 3.27Å; I310-S312 VanDerWaalsContact O-N 3.17Å; I310-G313 PolarHBondContact O-N 3.3Å; I310-Y314 PolarHBondContact N-O 3.43Å; I310-L320 HydrophobicContact CG2-CD2 3.91Å; I310-L320 WeakPolarHBondContact O-CD2 3.24Å; I310-L323 HydrophobicContact CG2-CD1 3.73Å; I310-V333 HydrophobicContact CD1-CG1 4.21Å; I310-V333 HydrophobicContact CG1-CB 4.3Å; I310-V333 HydrophobicContact CG1-CG1 3.92Å; I310-L457 HydrophobicContact CB-CD1 3.71Å; I310-L457 HydrophobicContact CB-CG 4.2Å; I310-L457 HydrophobicContact CD1-CG 4.08Å; I310-L457 HydrophobicContact CG2-CB 4.37Å; I310-L457 HydrophobicContact CG2-CD1 3.61Å; I310-L457 HydrophobicContact CG2-CG 4Å
311Q97.3Very high97.9Very high23 Ų2321.8 Ų21.811%0.10711%0.112CC..Hα-helixtrans-62.5-21.8175-72.5-178.893.800113.7A263 K264 K307 I308 L309 G313 L457 F465A263-Q311 PolarHBondContact O-NE2 3.4Å; A263-Q311 VanDerWaalsContact O-NE2 3.13Å; K264-Q311 HydrophobicContact CB-CB 4.26Å; K307-Q311 WeakPolarHBondContact O-CB 3.44Å; K307-Q311 WeakPolarHBondContact O-CG 3.32Å; K307-Q311 PolarHBondContact O-N 3.27Å; K307-Q311 PolarHBondContact O-NE2 3.05Å; I308-Q311 PolarHBondContact O-N 3.13Å; L309-Q311 PolarHBondContact O-N 3.36Å; Q311-G313 VanDerWaalsContact C-N 3.34Å; Q311-L457 HydrophobicContact CG-CD1 3.8Å; Q311-F465 HydrophobicContact CG-CB 4.09Å; Q311-F465 HydrophobicContact CG-CD1 4.4Å; Q311-F465 HydrophobicContact CG-CD2 3.74Å; Q311-F465 HydrophobicContact CG-CE2 4.23Å; Q311-F465 HydrophobicContact CG-CG 3.83Å
312S97.5Very high97.8Very high9 Ų928 Ų286%0.06314%0.138CC..THydrogen-bonded Turntrans-88.1-0.1176.9-52.60000113.3K264 L265 I308 L309 I310 R328K264-S312 WeakPolarHBondContact CA-OG 3.26Å; L265-S312 PolarHBondContact N-OG 2.77Å; I308-S312 VanDerWaalsContact O-CB 3.3Å; I308-S312 WeakPolarHBondContact O-CB 3.25Å; I308-S312 PolarHBondContact O-N 3.37Å; I308-S312 PolarHBondContact O-OG 3.23Å; L309-S312 CarbonylContact O-C 3.53Å; L309-S312 WeakPolarHBondContact O-CA 3.49Å; L309-S312 WeakPolarHBondContact O-CB 3.47Å; L309-S312 PolarHBondContact O-N 3.13Å; I310-S312 PolarHBondContact O-N 3.27Å; I310-S312 VanDerWaalsContact O-N 3.17Å; S312-R328 WeakPolarHBondContact O-CG 3.46Å
313G97.5Very high97.7Very high0 Ų028.3 Ų28.30%014%0.139CC..THydrogen-bonded Turntrans8615.6-17900000114.8L309 I310 Q311 L320 P326 R328 K329L309-G313 PolarHBondContact O-N 2.94Å; I310-G313 PolarHBondContact O-N 3.3Å; Q311-G313 VanDerWaalsContact C-N 3.34Å; G313-L320 WeakPolarHBondContact O-CD1 3.34Å; G313-P326 VanDerWaalsContact CA-O 3.24Å; G313-P326 WeakPolarHBondContact CA-O 3.07Å; G313-R328 WeakPolarHBondContact O-CA 3.42Å; G313-R328 WeakPolarHBondContact O-CB 3.46Å; G313-R328 PolarHBondContact O-N 2.68Å; G313-K329 PolarHBondContact O-N 2.8Å
314Y98.3Very high97.6Very high11 Ų1135.1 Ų35.14%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-107.299174.8-59.9-81.3000109.4V274 L309 I310 R328 K329 L331 V333 L556 T559V274-Y314 WeakPolarHBondContact CG2-OH 3.36Å; L309-Y314 CarbonylContact C-O 2.99Å; L309-Y314 VanDerWaalsContact C-O 3.26Å; L309-Y314 PolarHBondContact O-N 3.33Å; I310-Y314 PolarHBondContact N-O 3.43Å; Y314-R328 HydrophobicContact CD1-CB 4.32Å; Y314-R328 HydrophobicContact CE1-CB 3.88Å; Y314-R328 HydrophobicContact CE2-CB 4.31Å; Y314-K329 HydrophobicContact CD1-CB 3.59Å; Y314-K329 HydrophobicContact CE1-CB 3.98Å; Y314-L331 HydrophobicContact CD1-CD1 4.22Å; Y314-V333 WeakPolarHBondContact O-CG2 3.13Å; Y314-L556 HydrophobicContact CD1-CD2 3.76Å; Y314-L556 HydrophobicContact CD1-CG 4.48Å; Y314-L556 HydrophobicContact CD2-CD2 4.04Å; Y314-L556 HydrophobicContact CE1-CD2 3.93Å; Y314-L556 HydrophobicContact CE2-CD2 4.16Å; Y314-L556 HydrophobicContact CG-CD2 3.84Å; Y314-T559 HydrophobicContact CE1-CG2 4.14Å; Y314-T559 WeakPolarHBondContact CE1-OG1 3.4Å; Y314-T559 WeakPolarHBondContact OH-CG2 3.36Å
315G98.1Very high97.5Very high0 Ų034.8 Ų34.80%016%0.164CC..EExtended strand (participates in β ladder)trans176.5-179.3-173.700000111.8S317 L320 K329 N330 L331G315-S317 PolarHBondContact O-N 3.07Å; G315-L320 WeakPolarHBondContact O-CD1 3.38Å; G315-K329 PolarHBondContact N-O 3.26Å; G315-K329 VanDerWaalsContact N-O 3.16Å; G315-K329 VanDerWaalsContact O-O 3.12Å; G315-N330 WeakPolarHBondContact O-CA 3.36Å; G315-L331 CarbonylContact C-O 3.58Å; G315-L331 WeakPolarHBondContact CA-O 3.42Å; G315-L331 PolarHBondContact O-N 3.27Å
316P98.2Very high97.4Very high19 Ų1939.3 Ų39.312%0.12319%0.194CC..  trans-60.9126.8178.3-25.937.5000110.5D318 H319 L320 N330 L331 V333 V335 W456P316-D318 VanDerWaalsContact C-N 3.29Å; P316-D318 PolarHBondContact O-N 3.27Å; P316-H319 HydrophobicContact CB-CB 4.18Å; P316-H319 PolarHBondContact O-N 2.87Å; P316-H319 VanDerWaalsContact O-N 3.09Å; P316-L320 WeakPolarHBondContact O-CG 3.17Å; P316-L320 PolarHBondContact O-N 3.24Å; P316-N330 WeakPolarHBondContact CA-OD1 3.49Å; P316-L331 VanDerWaalsContact CD-O 3.3Å; P316-L331 WeakPolarHBondContact CD-O 3.39Å; P316-V333 WeakPolarHBondContact CD-O 3.36Å; P316-V335 HydrophobicContact CG-CG2 3.41Å; P316-V335 VanDerWaalsContact CG-CG2 3.41Å; P316-W456 HydrophobicContact CB-CZ3 4.34Å; P316-W456 HydrophobicContact CG-CH2 4.09Å; P316-W456 HydrophobicContact CG-CZ3 3.87Å
317S98.1Very high97.3Very high24 Ų2442.2 Ų42.217%0.16821%0.209CC..Hα-helixtrans-57.6-39.6-171.3-69.50000113.5G315 L320 R321 N330G315-S317 PolarHBondContact O-N 3.07Å; S317-L320 PolarHBondContact O-N 3.25Å; S317-R321 WeakPolarHBondContact O-CG 3.37Å; S317-R321 PolarHBondContact O-N 2.97Å; S317-N330 PolarHBondContact N-OD1 3.44Å; S317-N330 VanDerWaalsContact OG-CB 3.23Å; S317-N330 WeakPolarHBondContact OG-CB 3.34Å; S317-N330 VanDerWaalsContact OG-CG 3.24Å; S317-N330 PolarHBondContact OG-OD1 3.12Å
318D97.7Very high97.3Very high118 Ų11848.2 Ų48.263%0.63123%0.231SC*.Hα-helixtrans-66.7-39.8179-61.3-24.4000111.8P316 R321 Q322P316-D318 VanDerWaalsContact C-N 3.29Å; P316-D318 PolarHBondContact O-N 3.27Å; D318-R321 PolarHBondContact O-N 3.41Å; D318-Q322 WeakPolarHBondContact O-CG 3.25Å; D318-Q322 PolarHBondContact O-N 2.63Å
319H97.4Very high97.2Very high15 Ų1550.7 Ų50.77%0.06924%0.242CC..Hα-helixtrans-66.5-41.7175.6-179-131.3000111.7P316 R321 Q322 L323 W456 L457P316-H319 HydrophobicContact CB-CB 4.18Å; P316-H319 PolarHBondContact O-N 2.87Å; P316-H319 VanDerWaalsContact O-N 3.09Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3.47Å; H319-Q322 PolarHBondContact O-N 2.95Å; H319-L323 VanDerWaalsContact CE1-CD1 3.46Å; H319-L323 WeakPolarHBondContact CE1-CD1 3.35Å; H319-L323 WeakPolarHBondContact NE2-CD1 3.39Å; H319-L323 WeakPolarHBondContact O-CG 3.12Å; H319-L323 PolarHBondContact O-N 3.43Å; H319-W456 HydrophobicContact CB-CE3 4.13Å; H319-W456 HydrophobicContact CB-CZ3 3.68Å; H319-W456 AromaticContact CD2-CE3 3.8Å; H319-W456 AromaticContact CE1-CE3 3.5Å; H319-W456 AromaticContact CG-CE3 3.49Å; H319-W456 VanDerWaalsContact CG-CE3 3.49Å; H319-W456 AromaticContact CG-CZ3 3.57Å; H319-W456 AromaticContact ND1-CE3 3.32Å; H319-W456 VanDerWaalsContact ND1-CE3 3.32Å; H319-W456 AromaticContact ND1-CZ3 3.58Å; H319-W456 AromaticContact NE2-CE3 3.78Å; H319-L457 PolarHBondContact CE1-N 3.23Å; H319-L457 VanDerWaalsContact CE1-N 3.31Å; H319-L457 PolarHBondContact NE2-O 2.58Å
320L97.9Very high97.2Very high0 Ų055.7 Ų55.70%027%0.268CS..Hα-helixtrans-61.1-39.3174.5-68.1174.4000112.3I310 G313 G315 P316 S317 L323 H324 V325 I327I310-L320 HydrophobicContact CG2-CD2 3.91Å; I310-L320 WeakPolarHBondContact O-CD2 3.24Å; G313-L320 WeakPolarHBondContact O-CD1 3.34Å; G315-L320 WeakPolarHBondContact O-CD1 3.38Å; P316-L320 WeakPolarHBondContact O-CG 3.17Å; P316-L320 PolarHBondContact O-N 3.24Å; S317-L320 PolarHBondContact O-N 3.25Å; L320-L323 PolarHBondContact O-N 3.15Å; L320-H324 PolarHBondContact O-N 3Å; L320-H324 VanDerWaalsContact O-N 3.14Å; L320-V325 HydrophobicContact CD2-CB 4.11Å; L320-V325 HydrophobicContact CD2-CG1 4.09Å; L320-V325 PolarHBondContact O-N 3.41Å; L320-I327 HydrophobicContact CB-CG1 3.78Å; L320-I327 HydrophobicContact CD1-CB 4.24Å; L320-I327 HydrophobicContact CD1-CG1 3.92Å; L320-I327 HydrophobicContact CD1-CG2 4.03Å
321R97.4Very high97.2Very high169 Ų16956.4 Ų56.464%0.63827%0.272SS*.Hα-helixtrans-62.4-46.8174.1-70.7177.2-166.1-79.81.8111.7S317 D318 H319 L323 H324 I327S317-R321 WeakPolarHBondContact O-CG 3.37Å; S317-R321 PolarHBondContact O-N 2.97Å; D318-R321 PolarHBondContact O-N 3.41Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3.47Å; R321-L323 PolarHBondContact O-N 2.82Å; R321-H324 PolarHBondContact O-N 3.38Å; R321-I327 HydrophobicContact CG-CD1 3.96Å
322Q95.8Very high97.2Very high145 Ų14557.6 Ų57.668%0.67828%0.282SS*.Hα-helixtrans-58.2-35.9177.2-70.5170.36.600111.9D318 H319 H324D318-Q322 WeakPolarHBondContact O-CG 3.25Å; D318-Q322 PolarHBondContact O-N 2.63Å; H319-Q322 PolarHBondContact O-N 2.95Å; Q322-H324 VanDerWaalsContact C-N 3.3Å; Q322-H324 PolarHBondContact O-N 3.09Å; Q322-H324 PolarHBondContact O-ND1 3.34Å
323L96.1Very high97.3Very high8 Ų857.2 Ų57.24%0.04228%0.279CS..THydrogen-bonded Turntrans-81.8-4.4177.9-67.6178000114.4I310 H319 L320 R321 V325 L457 R459 F465I310-L323 HydrophobicContact CG2-CD1 3.73Å; H319-L323 VanDerWaalsContact CE1-CD1 3.46Å; H319-L323 WeakPolarHBondContact CE1-CD1 3.35Å; H319-L323 WeakPolarHBondContact NE2-CD1 3.39Å; H319-L323 WeakPolarHBondContact O-CG 3.12Å; H319-L323 PolarHBondContact O-N 3.43Å; L320-L323 PolarHBondContact O-N 3.15Å; R321-L323 PolarHBondContact O-N 2.82Å; L323-V325 HydrophobicContact CB-CG2 3.9Å; L323-V325 PolarHBondContact O-N 2.81Å; L323-L457 HydrophobicContact CD1-CB 3.91Å; L323-R459 HydrophobicContact CD2-CB 3.89Å; L323-R459 WeakPolarHBondContact O-CD 3.31Å; L323-F465 HydrophobicContact CB-CE1 4.22Å; L323-F465 HydrophobicContact CD2-CD1 4.32Å; L323-F465 HydrophobicContact CD2-CE1 4.37Å
324H95.2Very high97.3Very high147 Ų14757.2 Ų57.268%0.68128%0.279SS*.THydrogen-bonded Turntrans55.535.2-172.2-52.881.9000112.7L320 R321 Q322L320-H324 PolarHBondContact O-N 3Å; L320-H324 VanDerWaalsContact O-N 3.14Å; R321-H324 PolarHBondContact O-N 3.38Å; Q322-H324 VanDerWaalsContact C-N 3.3Å; Q322-H324 PolarHBondContact O-N 3.09Å; Q322-H324 PolarHBondContact O-ND1 3.34Å
325V95.7Very high97.3Very high13 Ų1359 Ų598%0.07929%0.291CS..PPolyproline II helixtrans-98.6126.7175.4177.90000109.2L320 L323 I327 F465L320-V325 HydrophobicContact CD2-CB 4.11Å; L320-V325 HydrophobicContact CD2-CG1 4.09Å; L320-V325 PolarHBondContact O-N 3.41Å; L323-V325 HydrophobicContact CB-CG2 3.9Å; L323-V325 PolarHBondContact O-N 2.81Å; V325-I327 PolarHBondContact O-N 2.97Å; V325-F465 HydrophobicContact CG2-CE1 3.86Å; V325-F465 HydrophobicContact CG2-CZ 3.85Å
326P95.9Very high97.2Very high96 Ų9665.1 Ų65.162%0.62331%0.314SS*.PPolyproline II helixtrans-57125.2176.8-26.435000112.1G313 R328G313-P326 VanDerWaalsContact CA-O 3.24Å; G313-P326 WeakPolarHBondContact CA-O 3.07Å; P326-R328 PolarHBondContact O-N 3.36Å
327I97.6Very high97.2Very high61 Ų6164.2 Ų64.231%0.31331%0.308SS..PPolyproline II helixtrans-73119.7-178.8-57.2163.2000109.5L320 R321 V325L320-I327 HydrophobicContact CB-CG1 3.78Å; L320-I327 HydrophobicContact CD1-CB 4.24Å; L320-I327 HydrophobicContact CD1-CG1 3.92Å; L320-I327 HydrophobicContact CD1-CG2 4.03Å; R321-I327 HydrophobicContact CG-CD1 3.96Å; V325-I327 PolarHBondContact O-N 2.97Å
328R96.5Very high97.1Very high146 Ų14664.8 Ų64.855%0.55131%0.307SS*.SBendtrans-95.9-43.5168.6-62.8-59.6-174176.80.1111.1S312 G313 Y314 P326S312-R328 WeakPolarHBondContact O-CG 3.46Å; G313-R328 WeakPolarHBondContact O-CA 3.42Å; G313-R328 WeakPolarHBondContact O-CB 3.46Å; G313-R328 PolarHBondContact O-N 2.68Å; Y314-R328 HydrophobicContact CD1-CB 4.32Å; Y314-R328 HydrophobicContact CE1-CB 3.88Å; Y314-R328 HydrophobicContact CE2-CB 4.31Å; P326-R328 PolarHBondContact O-N 3.36Å
329K96.7Very high97.1Very high61 Ų6159.4 Ų59.427%0.26528%0.278SS..EExtended strand (participates in β ladder)trans-151.1134.9176-154.873.8177.6-173.40111.8G313 Y314 G315 L331 R558G313-K329 PolarHBondContact O-N 2.8Å; Y314-K329 HydrophobicContact CD1-CB 3.59Å; Y314-K329 HydrophobicContact CE1-CB 3.98Å; G315-K329 PolarHBondContact N-O 3.26Å; G315-K329 VanDerWaalsContact N-O 3.16Å; G315-K329 VanDerWaalsContact O-O 3.12Å; K329-L331 HydrophobicContact CB-CD1 4.22Å; K329-L331 HydrophobicContact CB-CG 4.07Å; K329-L331 HydrophobicContact CG-CD1 4.17Å; K329-L331 HydrophobicContact CG-CD2 4.14Å; K329-L331 HydrophobicContact CG-CG 3.78Å; K329-L331 PolarHBondContact O-N 2.82Å; K329-R558 VanDerWaalsContact CE-CD 3.47Å
330N98Very high97.1Very high105 Ų10558.9 Ų58.956%0.56128%0.276SS*.EExtended strand (participates in β ladder)trans-72.8103.6164.7-165.726.1000109.4G315 P316 S317G315-N330 WeakPolarHBondContact O-CA 3.36Å; P316-N330 WeakPolarHBondContact CA-OD1 3.49Å; S317-N330 PolarHBondContact N-OD1 3.44Å; S317-N330 VanDerWaalsContact OG-CB 3.23Å; S317-N330 WeakPolarHBondContact OG-CB 3.34Å; S317-N330 VanDerWaalsContact OG-CG 3.24Å; S317-N330 PolarHBondContact OG-OD1 3.12Å
331L98.2Very high97.1Very high14 Ų1458.9 Ų58.97%0.07328%0.276CS..  trans-132.3146.3176.1-69176000108.9Y314 G315 P316 K329 V333 V549 L556 K557Y314-L331 HydrophobicContact CD1-CD1 4.22Å; G315-L331 CarbonylContact C-O 3.58Å; G315-L331 WeakPolarHBondContact CA-O 3.42Å; G315-L331 PolarHBondContact O-N 3.27Å; P316-L331 VanDerWaalsContact CD-O 3.3Å; P316-L331 WeakPolarHBondContact CD-O 3.39Å; K329-L331 HydrophobicContact CB-CD1 4.22Å; K329-L331 HydrophobicContact CB-CG 4.07Å; K329-L331 HydrophobicContact CG-CD1 4.17Å; K329-L331 HydrophobicContact CG-CD2 4.14Å; K329-L331 HydrophobicContact CG-CG 3.78Å; K329-L331 PolarHBondContact O-N 2.82Å; L331-V333 HydrophobicContact CB-CG2 4.03Å; L331-V333 PolarHBondContact O-N 2.58Å; L331-V549 HydrophobicContact CD1-CG1 4.48Å; L331-L556 HydrophobicContact CD1-CD1 3.6Å; L331-L556 HydrophobicContact CD1-CG 4.28Å; L331-K557 HydrophobicContact CD2-CB 4.35Å
332P98Very high97.1Very high49 Ų4951.1 Ų51.132%0.31825%0.247SC..  trans-79.145.6-176.734.2-36.4000112.7G334 V335 V549P332-G334 PolarHBondContact O-N 3.32Å; P332-V335 HydrophobicContact CB-CB 4.1Å; P332-V335 HydrophobicContact CB-CG2 3.97Å; P332-V335 PolarHBondContact O-N 3.49Å; P332-V549 HydrophobicContact CG-CG2 4.04Å
333V98.5Very high97.1Very high0 Ų044.2 Ų44.20%022%0.215CC..THydrogen-bonded Turntrans-66.7129.4176.8-177.90000109.2A306 L309 I310 Y314 P316 L331 V335 T543 V549A306-V333 HydrophobicContact CB-CG1 3.62Å; L309-V333 HydrophobicContact CB-CG1 4.04Å; L309-V333 HydrophobicContact CB-CG2 4.36Å; L309-V333 HydrophobicContact CD1-CG1 4.03Å; L309-V333 HydrophobicContact CD1-CG2 3.97Å; I310-V333 HydrophobicContact CD1-CG1 4.21Å; I310-V333 HydrophobicContact CG1-CB 4.3Å; I310-V333 HydrophobicContact CG1-CG1 3.92Å; Y314-V333 WeakPolarHBondContact O-CG2 3.13Å; P316-V333 WeakPolarHBondContact CD-O 3.36Å; L331-V333 HydrophobicContact CB-CG2 4.03Å; L331-V333 PolarHBondContact O-N 2.58Å; V333-V335 PolarHBondContact O-N 3.31Å; V333-V335 VanDerWaalsContact O-N 3.15Å; V333-T543 CarbonylContact C-O 3.58Å; V333-T543 WeakPolarHBondContact CA-O 3.44Å; V333-V549 HydrophobicContact CG2-CG1 3.87Å; V333-V549 HydrophobicContact CG2-CG2 4Å
334G97.8Very high96.9Very high0 Ų045.2 Ų45.20%022%0.22CC..THydrogen-bonded Turntrans73.9-8.1-179.600000115.3P332 R336 T454 M455 T543P332-G334 PolarHBondContact O-N 3.32Å; G334-R336 PolarHBondContact O-N 2.87Å; G334-T454 CarbonylContact O-C 3.23Å; G334-T454 WeakPolarHBondContact O-CA 3.25Å; G334-M455 CarbonylContact C-O 3.59Å; G334-M455 VanDerWaalsContact CA-O 3.3Å; G334-M455 WeakPolarHBondContact CA-O 3.07Å; G334-M455 PolarHBondContact O-N 3.14Å; G334-T543 PolarHBondContact N-O 2.96Å
335V97.7Very high96.8Very high50 Ų5038.4 Ų38.430%0.30319%0.188SC..SBendtrans-66.8-22.5179.5178.30000112.1P316 P332 V333 W456P316-V335 HydrophobicContact CG-CG2 3.41Å; P316-V335 VanDerWaalsContact CG-CG2 3.41Å; P332-V335 HydrophobicContact CB-CB 4.1Å; P332-V335 HydrophobicContact CB-CG2 3.97Å; P332-V335 PolarHBondContact O-N 3.49Å; V333-V335 PolarHBondContact O-N 3.31Å; V333-V335 VanDerWaalsContact O-N 3.15Å; V335-W456 HydrophobicContact CG2-CH2 4.15Å
336R96.5Very high96.5Very high127 Ų12738.2 Ų38.248%0.47919%0.187SC..  trans-126.1143.8172.1-54.8-169.3176.9153.6-1.4108.7G334 Q452 G453 S542 T543G334-R336 PolarHBondContact O-N 2.87Å; R336-Q452 HydrophobicContact CB-CG 4.31Å; R336-G453 CarbonylContact C-O 3.56Å; R336-G453 WeakPolarHBondContact CA-O 3.32Å; R336-S542 CarbonylContact C-O 3.41Å; R336-S542 CarbonylContact O-C 3.56Å; R336-T543 WeakPolarHBondContact O-CA 3.49Å
337M97.5Very high96.1Very high0 Ų033.7 Ų33.70%016%0.158CC..BIsolated β-bridgetrans-150129.8168.7-178.8179.1-121.400106.4I303 G453 M455 M469 L540 T541 T543I303-M337 HydrophobicContact CG1-CE 3.86Å; M337-G453 PolarHBondContact N-O 3.45Å; M337-G453 WeakPolarHBondContact O-CA 3.36Å; M337-G453 PolarHBondContact O-N 2.87Å; M337-M455 HydrophobicContact CE-CB 4.15Å; M337-M455 HydrophobicContact SD-CB 4.28Å; M337-M469 HydrophobicContact CE-CG 3.88Å; M337-M469 HydrophobicContact SD-CB 4.26Å; M337-M469 HydrophobicContact SD-CG 4.17Å; M337-L540 HydrophobicContact CE-CB 4.35Å; M337-L540 HydrophobicContact CE-CD2 3.66Å; M337-L540 HydrophobicContact CE-CG 4.45Å; M337-L540 HydrophobicContact CG-CD2 4.19Å; M337-L540 HydrophobicContact SD-CD2 3.75Å; M337-T541 WeakPolarHBondContact CA-O 2.95Å; M337-T543 HydrophobicContact CB-CG2 4.17Å; M337-T543 HydrophobicContact CE-CG2 3.77Å; M337-T543 HydrophobicContact CG-CG2 4.12Å
338Y97.9Very high95.6Very high36 Ų3634.8 Ų34.814%0.14116%0.16CC..BIsolated β-bridgetrans-113.1155.7166.6-67.3-83.9000108.7S451 Q452 L540 T541 T572Y338-S451 WeakPolarHBondContact CD1-O 3.3Å; Y338-Q452 HydrophobicContact CD1-CB 4.46Å; Y338-Q452 HydrophobicContact CE1-CB 3.72Å; Y338-Q452 HydrophobicContact CE1-CG 3.89Å; Y338-Q452 HydrophobicContact CE2-CG 4.02Å; Y338-Q452 PolarHBondContact OH-OE1 3.09Å; Y338-L540 CarbonylContact O-C 2.92Å; Y338-L540 VanDerWaalsContact O-CA 3.3Å; Y338-L540 WeakPolarHBondContact O-CA 3.38Å; Y338-T541 PolarHBondContact N-O 3.46Å; Y338-T541 VanDerWaalsContact N-O 3.12Å; Y338-T541 WeakPolarHBondContact O-CG2 3.4Å; Y338-T541 PolarHBondContact O-N 3.26Å; Y338-T572 HydrophobicContact CE2-CG2 4.33Å
339D97.8Very high94.9Very high5 Ų528.4 Ų28.43%0.02714%0.137CC..  trans-149150.5166.8-169.93.2000106.8P449 Y473 T536 E538 H539 L540D339-P449 WeakPolarHBondContact O-CG 2.86Å; D339-Y473 HydrophobicContact CB-CE1 4Å; D339-Y473 PolarHBondContact OD2-OH 3.45Å; D339-T536 PolarHBondContact OD2-OG1 3.28Å; D339-E538 PolarHBondContact OD1-N 3.02Å; D339-H539 WeakPolarHBondContact OD1-CA 3.41Å; D339-H539 PolarHBondContact OD1-N 3.13Å; D339-L540 HydrophobicContact CB-CD2 3.71Å; D339-L540 HydrophobicContact CB-CG 4.17Å; D339-L540 PolarHBondContact OD1-N 2.92Å; D339-L540 WeakPolarHBondContact OD2-CD2 3.46Å; D339-L540 WeakPolarHBondContact OD2-CG 3.39Å
340R97.3Very high94Very high4 Ų429.2 Ų29.22%0.01515%0.151CC..  trans-64.3159168.5-70.6-179.4-179177.22.5109.2T445 L446 G537 H539 T573 A574 T575 G576R340-T445 HydrophobicContact CB-CG2 3.77Å; R340-T445 HydrophobicContact CG-CG2 4.29Å; R340-L446 WeakPolarHBondContact CB-O 3.44Å; R340-G537 PolarHBondContact O-N 3.44Å; R340-H539 HydrophobicContact CB-CB 4.27Å; R340-H539 HydrophobicContact CG-CB 3.86Å; R340-H539 PolarHBondContact NE-ND1 3.17Å; R340-H539 PolarHBondContact NH1-CE1 3.45Å; R340-H539 PolarHBondContact NH1-ND1 3.27Å; R340-T573 HydrophobicContact CG-CG2 4.12Å; R340-A574 PolarHBondContact NE-O 3.31Å; R340-A574 PolarHBondContact NH2-O 2.94Å; R340-T575 VanDerWaalsContact NH2-C 3.31Å; R340-T575 PolarHBondContact NH2-O 3.2Å; R340-G576 PolarHBondContact NH2-O 2.94Å
341V97.6Very high93Very high1 Ų127.1 Ų27.11%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-126.1129.8178.5-170.20000108.6T445 L446 P449 Y473 L474 L483 A534V341-T445 CarbonylContact O-C 3.55Å; V341-T445 WeakPolarHBondContact O-CA 3.48Å; V341-L446 PolarHBondContact O-N 2.9Å; V341-P449 HydrophobicContact CG2-CB 4.38Å; V341-Y473 HydrophobicContact CB-CD1 4.49Å; V341-Y473 HydrophobicContact CG1-CD1 4.39Å; V341-Y473 HydrophobicContact CG2-CD1 3.44Å; V341-Y473 VanDerWaalsContact CG2-CD1 3.44Å; V341-Y473 HydrophobicContact CG2-CE1 3.87Å; V341-Y473 HydrophobicContact CG2-CG 4.36Å; V341-L474 HydrophobicContact CG1-CD2 4.1Å; V341-L483 HydrophobicContact CB-CD1 4.2Å; V341-L483 HydrophobicContact CG1-CD1 3.93Å; V341-A534 HydrophobicContact CG1-CB 3.9Å
342S97.1Very high91.4Very high5 Ų533.2 Ų33.24%0.03517%0.171CC..EExtended strand (participates in β ladder)trans-120.1149-175.9-64.70000111.4V444 T445 A534 T535 G537S342-V444 CarbonylContact C-O 3.56Å; S342-V444 VanDerWaalsContact CA-O 3.28Å; S342-V444 WeakPolarHBondContact CA-O 3.27Å; S342-T445 WeakPolarHBondContact OG-CG2 3.2Å; S342-T445 PolarHBondContact OG-OG1 3.44Å; S342-A534 CarbonylContact O-C 3.52Å; S342-A534 VanDerWaalsContact O-CA 3.31Å; S342-A534 WeakPolarHBondContact O-CA 3.46Å; S342-T535 PolarHBondContact N-O 3.42Å; S342-T535 PolarHBondContact O-N 2.74Å; S342-G537 WeakPolarHBondContact OG-CA 3.38Å
343V95.5Very high90Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-126.7130.7164176.20000107.4L345 V444 V530 M533 A534V343-L345 HydrophobicContact CG1-CD2 4.1Å; V343-V444 PolarHBondContact N-O 3.46Å; V343-V444 PolarHBondContact O-N 3.49Å; V343-V530 HydrophobicContact CG2-CB 4.42Å; V343-V530 HydrophobicContact CG2-CG1 4.29Å; V343-V530 HydrophobicContact CG2-CG2 4.28Å; V343-M533 HydrophobicContact CG1-CB 4.15Å; V343-A534 HydrophobicContact CG2-CB 4.11Å
344Q92.2Very high88.5Confident30 Ų3034.9 Ų34.914%0.1419%0.185CC..EExtended strand (participates in β ladder)trans-94.2132.3178.7-60.4-179.63.700110.1E418 E441 V443Q344-E418 VanDerWaalsContact NE2-CD 3.34Å; Q344-E418 PolarHBondContact NE2-OE1 2.86Å; Q344-E418 PolarHBondContact NE2-OE2 2.68Å; Q344-E441 PolarHBondContact OE1-OE2 2.97Å; Q344-V443 HydrophobicContact CG-CG1 4.33Å; Q344-V443 HydrophobicContact CG-CG2 4.23Å
345L92.3Very high87.2Confident4 Ų440.2 Ų40.22%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-117100.9179.5-58.2179.8000109.3V343 L347 E441 I442 V444 V487 V490 L506 Y508 L529V343-L345 HydrophobicContact CG1-CD2 4.1Å; L345-L347 PolarHBondContact O-N 3.33Å; L345-E441 WeakPolarHBondContact O-CA 3.4Å; L345-I442 WeakPolarHBondContact CB-O 3.42Å; L345-I442 PolarHBondContact N-O 3.33Å; L345-I442 PolarHBondContact O-N 3.49Å; L345-V444 HydrophobicContact CD1-CG2 3.76Å; L345-V444 HydrophobicContact CG-CG2 4.26Å; L345-V487 HydrophobicContact CD1-CB 4.42Å; L345-V487 HydrophobicContact CD1-CG1 4.01Å; L345-V487 HydrophobicContact CD1-CG2 4.25Å; L345-V487 HydrophobicContact CD2-CG1 4.43Å; L345-V490 HydrophobicContact CD1-CB 3.99Å; L345-V490 HydrophobicContact CD1-CG1 3.93Å; L345-V490 HydrophobicContact CD1-CG2 4.19Å; L345-L506 HydrophobicContact CB-CD2 4.18Å; L345-Y508 HydrophobicContact CD2-CE1 4.06Å; L345-L529 HydrophobicContact CD2-CD2 3.95Å
346P89.5Confident85.8Confident9 Ų940.4 Ų40.46%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-59.5136.4174.7-27.738.5000111.6L428 F439 L507P346-L428 HydrophobicContact CG-CD2 4.1Å; P346-F439 HydrophobicContact CB-CD2 4.05Å; P346-F439 HydrophobicContact CB-CE2 3.67Å; P346-F439 HydrophobicContact CG-CE2 4.27Å; P346-L507 HydrophobicContact CB-CB 4.13Å; P346-L507 HydrophobicContact CB-CD1 4.16Å; P346-L507 PolarHBondContact O-N 3.43Å
347L88.4Confident84.5Confident0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-129.6116-173.7-178.772.4000109.9L345 L403 L440 I442 I494 M499 A504 L506L345-L347 PolarHBondContact O-N 3.33Å; L347-L403 HydrophobicContact CD2-CD1 4.23Å; L347-L440 CarbonylContact C-O 3.53Å; L347-L440 WeakPolarHBondContact CA-O 3.12Å; L347-L440 HydrophobicContact CB-CB 4.15Å; L347-L440 WeakPolarHBondContact CB-O 2.83Å; L347-L440 HydrophobicContact CD2-CB 4.18Å; L347-L440 HydrophobicContact CD2-CD1 4.34Å; L347-L440 HydrophobicContact CG-CB 4.47Å; L347-L440 PolarHBondContact N-O 3.21Å; L347-L440 PolarHBondContact O-N 3.35Å; L347-I442 HydrophobicContact CD2-CD1 4.21Å; L347-I442 HydrophobicContact CD2-CG1 4.46Å; L347-I494 HydrophobicContact CD1-CD1 3.51Å; L347-I494 HydrophobicContact CD1-CG1 3.99Å; L347-I494 HydrophobicContact CD1-CG2 4.38Å; L347-I494 HydrophobicContact CD2-CD1 3.95Å; L347-I494 HydrophobicContact CG-CD1 4.41Å; L347-M499 HydrophobicContact CD2-CE 3.99Å; L347-A504 HydrophobicContact CD1-CB 4.16Å; L347-L506 HydrophobicContact CD1-CD2 3.96Å; L347-L506 HydrophobicContact CD1-CG 4.46Å
348K85.8Confident83Confident85 Ų8535.1 Ų35.137%0.3720%0.196SC..EExtended strand (participates in β ladder)trans-84.9138170.1-175.8172-178.51710109.6A504 A505 L507K348-A504 CarbonylContact O-C 3.49Å; K348-A504 WeakPolarHBondContact O-CA 3.24Å; K348-A505 PolarHBondContact N-O 2.96Å; K348-A505 PolarHBondContact O-N 3.14Å; K348-L507 HydrophobicContact CB-CD1 4.03Å; K348-L507 HydrophobicContact CB-CD2 4.03Å; K348-L507 HydrophobicContact CB-CG 4.14Å; K348-L507 HydrophobicContact CD-CD2 4.48Å
349V82.5Confident81.5Confident12 Ų1235.5 Ų35.57%0.07321%0.212CC..  trans-117128.2164.6-69.80000108.3M354 V358 L440 A504V349-M354 HydrophobicContact CB-CB 4.19Å; V349-M354 HydrophobicContact CG2-CB 3.91Å; V349-V358 HydrophobicContact CG2-CG2 4.43Å; V349-L440 HydrophobicContact CG1-CD1 3.85Å; V349-L440 HydrophobicContact CG2-CD1 4.32Å; V349-A504 HydrophobicContact CG1-CB 4.38Å
350S78.8Confident80.2Confident78 Ų7840.2 Ų40.255%0.54523%0.234SC..  trans-105.1-11.7-174.864.30000114.1L352 A502 G503S350-L352 PolarHBondContact O-N 3.21Å; S350-A502 PolarHBondContact N-O 3.04Å; S350-G503 PolarHBondContact N-O 2.91Å; S350-G503 WeakPolarHBondContact OG-CA 3.49Å; S350-G503 PolarHBondContact OG-O 3.43Å
351N76.4Confident78.9Confident61 Ų6140.2 Ų40.233%0.32623%0.234SC..  trans-57.6129.9172.1178.9-64000110.5A353 M354 K355 A502N351-A353 VanDerWaalsContact C-N 3.32Å; N351-A353 PolarHBondContact O-N 2.98Å; N351-A353 WeakPolarHBondContact OD1-CB 3.38Å; N351-A353 PolarHBondContact OD1-N 3.39Å; N351-M354 HydrophobicContact CB-CB 4.24Å; N351-M354 HydrophobicContact CB-CG 4.05Å; N351-M354 PolarHBondContact O-N 3.39Å; N351-M354 VanDerWaalsContact O-N 3.13Å; N351-M354 PolarHBondContact OD1-N 3.13Å; N351-K355 PolarHBondContact O-N 3.17Å; N351-A502 VanDerWaalsContact CB-O 3.31Å; N351-A502 WeakPolarHBondContact CB-O 3.25Å; N351-A502 PolarHBondContact N-O 3.39Å; N351-A502 VanDerWaalsContact N-O 3.16Å
352L65.2Low77.5Confident142 Ų14245.6 Ų45.674%0.74326%0.262SS*.Hα-helixtrans-59.4-39.8-173.2-175.863.8000113S350 K355 A356S350-L352 PolarHBondContact O-N 3.21Å; L352-K355 PolarHBondContact O-N 3.28Å; L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.42Å; L352-A356 PolarHBondContact O-N 2.58Å
353A66.7Low76.5Confident59 Ų5946.8 Ų46.849%0.48827%0.271SS..Hα-helixtrans-67.3-40.3178.700000111.2N351 A356 L357N351-A353 VanDerWaalsContact C-N 3.32Å; N351-A353 PolarHBondContact O-N 2.98Å; N351-A353 WeakPolarHBondContact OD1-CB 3.38Å; N351-A353 PolarHBondContact OD1-N 3.39Å; A353-A356 PolarHBondContact O-N 3.05Å; A353-L357 WeakPolarHBondContact O-CB 3.34Å; A353-L357 PolarHBondContact O-N 2.77Å
354M69Low75.8Confident24 Ų2451.3 Ų51.312%0.11829%0.29CS..Hα-helixtrans-66.4-43.8175.2-63.6-59.39600111.3P198 L199 L202 V349 N351 A356 L357 V358P198-M354 HydrophobicContact CB-CE 3.58Å; P198-M354 HydrophobicContact CB-SD 4.45Å; L199-M354 HydrophobicContact CD2-SD 3.73Å; L199-M354 HydrophobicContact CG-SD 4.37Å; L202-M354 HydrophobicContact CD2-SD 4.4Å; V349-M354 HydrophobicContact CB-CB 4.19Å; V349-M354 HydrophobicContact CG2-CB 3.91Å; N351-M354 HydrophobicContact CB-CB 4.24Å; N351-M354 HydrophobicContact CB-CG 4.05Å; N351-M354 PolarHBondContact O-N 3.39Å; N351-M354 VanDerWaalsContact O-N 3.13Å; N351-M354 PolarHBondContact OD1-N 3.13Å; M354-A356 VanDerWaalsContact C-N 3.34Å; M354-A356 PolarHBondContact O-N 3.04Å; M354-L357 PolarHBondContact O-N 3.3Å; M354-V358 WeakPolarHBondContact O-CB 3.36Å; M354-V358 VanDerWaalsContact O-CG2 3.25Å; M354-V358 WeakPolarHBondContact O-CG2 3.5Å; M354-V358 PolarHBondContact O-N 2.95Å
355K69.6Low75.4Confident113 Ų11353.8 Ų53.849%0.49131%0.311SS..Hα-helixtrans-61.7-42.2176.7-171.2177.8-178.3-179.40111.7N351 L352 V358 G359N351-K355 PolarHBondContact O-N 3.17Å; L352-K355 PolarHBondContact O-N 3.28Å; K355-V358 PolarHBondContact O-N 2.84Å; K355-G359 PolarHBondContact O-N 3.35Å
356A68.6Low74.9Confident53 Ų5354.3 Ų54.344%0.43832%0.315SS..Hα-helixtrans-62.8-43.9176.400000111.5L352 A353 M354 G359 Q360L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.42Å; L352-A356 PolarHBondContact O-N 2.58Å; A353-A356 PolarHBondContact O-N 3.05Å; M354-A356 VanDerWaalsContact C-N 3.34Å; M354-A356 PolarHBondContact O-N 3.04Å; A356-G359 PolarHBondContact O-N 2.73Å; A356-Q360 WeakPolarHBondContact O-CG 3.18Å; A356-Q360 PolarHBondContact O-N 3.14Å
357L68.2Low74.6Confident13 Ų1356.5 Ų56.57%0.06833%0.326CS..Hα-helixtrans-61.7-45.9177.3172.754.4000111.8A195 P198 L199 A353 M354 G359 Q360A195-L357 HydrophobicContact CB-CD1 4.32Å; A195-L357 WeakPolarHBondContact O-CD1 3.39Å; A195-L357 WeakPolarHBondContact O-CD2 3.34Å; P198-L357 HydrophobicContact CB-CD2 4.05Å; P198-L357 HydrophobicContact CG-CD2 4.06Å; L199-L357 HydrophobicContact CD1-CD2 3.75Å; L199-L357 HydrophobicContact CD1-CG 4.07Å; L199-L357 HydrophobicContact CG-CD2 3.64Å; L199-L357 HydrophobicContact CG-CG 4.46Å; A353-L357 WeakPolarHBondContact O-CB 3.34Å; A353-L357 PolarHBondContact O-N 2.77Å; M354-L357 PolarHBondContact O-N 3.3Å; L357-G359 VanDerWaalsContact C-N 3.26Å; L357-G359 PolarHBondContact O-N 2.75Å; L357-Q360 WeakPolarHBondContact O-CB 3.43Å; L357-Q360 PolarHBondContact O-N 3.32Å; L357-Q360 VanDerWaalsContact O-N 3.13Å
358V65.9Low74.6Confident3 Ų359.8 Ų59.82%0.01834%0.343CS..Hα-helixtrans-64.3-33.3177.41720000111.3L199 V349 M354 K355 I361 V438 L440L199-V358 HydrophobicContact CD1-CG2 4.09Å; V349-V358 HydrophobicContact CG2-CG2 4.43Å; M354-V358 WeakPolarHBondContact O-CB 3.36Å; M354-V358 VanDerWaalsContact O-CG2 3.25Å; M354-V358 WeakPolarHBondContact O-CG2 3.5Å; M354-V358 PolarHBondContact O-N 2.95Å; K355-V358 PolarHBondContact O-N 2.84Å; V358-I361 WeakPolarHBondContact O-CB 3.47Å; V358-I361 WeakPolarHBondContact O-CD1 3.19Å; V358-I361 WeakPolarHBondContact O-CG1 3.49Å; V358-I361 PolarHBondContact O-N 3.17Å; V358-V438 HydrophobicContact CG1-CB 3.38Å; V358-V438 HydrophobicContact CG1-CG1 3.45Å; V358-V438 VanDerWaalsContact CG1-CG1 3.45Å; V358-V438 WeakPolarHBondContact CG1-O 3.3Å; V358-V438 WeakPolarHBondContact O-CB 3.4Å; V358-L440 HydrophobicContact CG2-CD2 4.12Å
359G68.1Low74.6Confident45 Ų4558.9 Ų58.946%0.46434%0.34SS..Hα-helixtrans-72.8-21.6172.500000115.5K355 A356 L357 I361K355-G359 PolarHBondContact O-N 3.35Å; A356-G359 PolarHBondContact O-N 2.73Å; L357-G359 VanDerWaalsContact C-N 3.26Å; L357-G359 PolarHBondContact O-N 2.75Å; G359-I361 PolarHBondContact O-N 3.03Å
360Q70.7Confident74.8Confident104 Ų10458.7 Ų58.749%0.48634%0.338SS..G310 helixtrans-70.3-17175.6-74.5-179.78.800112.9A356 L357 D362 S363 T366A356-Q360 WeakPolarHBondContact O-CG 3.18Å; A356-Q360 PolarHBondContact O-N 3.14Å; L357-Q360 WeakPolarHBondContact O-CB 3.43Å; L357-Q360 PolarHBondContact O-N 3.32Å; L357-Q360 VanDerWaalsContact O-N 3.13Å; Q360-D362 VanDerWaalsContact C-N 3.27Å; Q360-D362 PolarHBondContact O-N 3.21Å; Q360-S363 WeakPolarHBondContact O-CB 3.31Å; Q360-S363 PolarHBondContact O-N 3.13Å; Q360-S363 VanDerWaalsContact O-N 3.14Å; Q360-S363 PolarHBondContact O-OG 2.9Å; Q360-T366 PolarHBondContact O-OG1 3.08Å
361I69Low75.1Confident3 Ų355.4 Ų55.42%0.01531%0.314CS..G310 helixtrans-60-39.4-176-53.9-179.7000111.3F86 V358 G359 L377 P405 L408 V438F86-I361 HydrophobicContact CD1-CG2 4.21Å; F86-I361 HydrophobicContact CE1-CG2 3.17Å; F86-I361 HydrophobicContact CE2-CG2 4.46Å; F86-I361 HydrophobicContact CZ-CD1 4.23Å; F86-I361 HydrophobicContact CZ-CG2 3.31Å; V358-I361 WeakPolarHBondContact O-CB 3.47Å; V358-I361 WeakPolarHBondContact O-CD1 3.19Å; V358-I361 WeakPolarHBondContact O-CG1 3.49Å; V358-I361 PolarHBondContact O-N 3.17Å; G359-I361 PolarHBondContact O-N 3.03Å; I361-L377 VanDerWaalsContact CA-CD2 3.5Å; I361-L377 HydrophobicContact CB-CD2 3.97Å; I361-L377 HydrophobicContact CG1-CD2 3.83Å; I361-L377 HydrophobicContact CG2-CD2 3.99Å; I361-P405 HydrophobicContact CD1-CB 3.71Å; I361-P405 HydrophobicContact CD1-CG 4.35Å; I361-L408 HydrophobicContact CB-CD2 4Å; I361-L408 HydrophobicContact CG2-CD1 4.42Å; I361-L408 HydrophobicContact CG2-CD2 3.38Å; I361-L408 HydrophobicContact CG2-CG 4.12Å; I361-V438 HydrophobicContact CD1-CG1 4.1Å
362D68.6Low75.6Confident114 Ų11456.4 Ų56.461%0.6132%0.323SS*.G310 helixtrans-99.224.9179-162.924.5000113.6Q360 L408Q360-D362 VanDerWaalsContact C-N 3.27Å; Q360-D362 PolarHBondContact O-N 3.21Å; D362-L408 HydrophobicContact CB-CD2 3.82Å
363S75.6Confident76.5Confident30 Ų3055.6 Ų55.621%0.2131%0.313CS..  trans-78.5143.9-177.4860000112.3Q360 S365 T366 L367Q360-S363 WeakPolarHBondContact O-CB 3.31Å; Q360-S363 PolarHBondContact O-N 3.13Å; Q360-S363 VanDerWaalsContact O-N 3.14Å; Q360-S363 PolarHBondContact O-OG 2.9Å; S363-S365 PolarHBondContact O-N 3.35Å; S363-S365 PolarHBondContact OG-OG 2.99Å; S363-T366 VanDerWaalsContact O-CB 3.28Å; S363-T366 WeakPolarHBondContact O-CB 3.22Å; S363-T366 PolarHBondContact O-N 3.26Å; S363-T366 WeakPolarHBondContact OG-CB 3.18Å; S363-T366 PolarHBondContact OG-N 3.25Å; S363-T366 PolarHBondContact OG-OG1 3.37Å; S363-L367 PolarHBondContact O-N 3.01Å
364K81.3Confident77.1Confident95 Ų9553.9 Ų53.941%0.41330%0.301SS..Hα-helixtrans-57.5-33.5173.7-66.6178.8-174.8175.30112.6L8 L367 L368L8-K364 HydrophobicContact CD1-CB 4.09Å; L8-K364 HydrophobicContact CD1-CG 4.3Å; K364-L367 PolarHBondContact O-N 3.02Å; K364-L368 WeakPolarHBondContact O-CB 3.19Å; K364-L368 PolarHBondContact O-N 3.17Å
365S84Confident77.6Confident83 Ų8356 Ų5658%0.5831%0.31SS*.Hα-helixtrans-64.8-41.2174.834.20000112.1S363 L368 E369S363-S365 PolarHBondContact O-N 3.35Å; S363-S365 PolarHBondContact OG-OG 2.99Å; S365-L368 PolarHBondContact O-N 3.17Å; S365-E369 WeakPolarHBondContact O-CB 3.39Å; S365-E369 PolarHBondContact O-N 3.21Å
366T81.4Confident77.9Confident15 Ų1550.6 Ų50.69%0.09229%0.287CS..Hα-helixtrans-59.6-46.4176-65.70000110.8Q360 S363 Y370 L377 L378Q360-T366 PolarHBondContact O-OG1 3.08Å; S363-T366 VanDerWaalsContact O-CB 3.28Å; S363-T366 WeakPolarHBondContact O-CB 3.22Å; S363-T366 PolarHBondContact O-N 3.26Å; S363-T366 WeakPolarHBondContact OG-CB 3.18Å; S363-T366 PolarHBondContact OG-N 3.25Å; S363-T366 PolarHBondContact OG-OG1 3.37Å; T366-Y370 PolarHBondContact O-N 3.33Å; T366-L377 HydrophobicContact CG2-CB 3.89Å; T366-L377 HydrophobicContact CG2-CD2 4.21Å; T366-L377 HydrophobicContact CG2-CG 4.42Å; T366-L378 HydrophobicContact CG2-CD1 4.06Å; T366-L378 HydrophobicContact CG2-CD2 4.18Å; T366-L378 HydrophobicContact CG2-CG 3.62Å
367L83.2Confident78.5Confident55 Ų5548.4 Ų48.429%0.28827%0.268SS..Hα-helixtrans-65.8-44.7176.8-17761.5000112.2L8 Y12 S363 K364 E369 Y370 L371 L378L8-L367 HydrophobicContact CD1-CD2 4.49Å; L8-L367 HydrophobicContact CD2-CB 4.47Å; L8-L367 HydrophobicContact CD2-CD2 4.21Å; L8-L367 HydrophobicContact CD2-CG 4.12Å; Y12-L367 HydrophobicContact CD2-CD1 4.48Å; S363-L367 PolarHBondContact O-N 3.01Å; K364-L367 PolarHBondContact O-N 3.02Å; L367-E369 PolarHBondContact O-N 3.42Å; L367-Y370 PolarHBondContact O-N 2.9Å; L367-L371 HydrophobicContact CD1-CD1 3.94Å; L367-L371 HydrophobicContact CD1-CG 4.01Å; L367-L371 HydrophobicContact CD2-CD1 4.42Å; L367-L371 HydrophobicContact CG-CD1 3.82Å; L367-L371 HydrophobicContact CG-CG 4.29Å; L367-L371 WeakPolarHBondContact O-CB 3.39Å; L367-L371 VanDerWaalsContact O-CG 3.31Å; L367-L371 WeakPolarHBondContact O-CG 3.42Å; L367-L371 PolarHBondContact O-N 3.16Å; L367-L378 HydrophobicContact CD1-CD1 4.01Å
368L87.3Confident79.2Confident68 Ų6848.4 Ų48.436%0.35627%0.268SS..Hα-helixtrans-61.8-44.3180-173.561.5000112L8 L11 K364 S365 Y370 L371 T372L8-L368 HydrophobicContact CD2-CB 3.87Å; L8-L368 HydrophobicContact CD2-CD1 3.83Å; L8-L368 HydrophobicContact CD2-CG 4.44Å; L11-L368 HydrophobicContact CD1-CD1 3.9Å; K364-L368 WeakPolarHBondContact O-CB 3.19Å; K364-L368 PolarHBondContact O-N 3.17Å; S365-L368 PolarHBondContact O-N 3.17Å; L368-Y370 VanDerWaalsContact C-N 3.34Å; L368-Y370 PolarHBondContact O-N 2.68Å; L368-L371 PolarHBondContact O-N 3.48Å; L368-T372 HydrophobicContact CD1-CG2 3.94Å; L368-T372 HydrophobicContact CG-CG2 4.42Å; L368-T372 WeakPolarHBondContact O-CB 3.44Å; L368-T372 WeakPolarHBondContact O-CG2 3.41Å; L368-T372 PolarHBondContact O-N 3.23Å; L368-T372 PolarHBondContact O-OG1 3.35Å
369E86.5Confident79.9Confident66 Ų6648.3 Ų48.331%0.30827%0.267SS..Hα-helixtrans-60.8-44.5178.5179.9161.5-125.100111.4S365 L367 T372 K373 G376S365-E369 WeakPolarHBondContact O-CB 3.39Å; S365-E369 PolarHBondContact O-N 3.21Å; L367-E369 PolarHBondContact O-N 3.42Å; E369-T372 PolarHBondContact O-N 3.49Å; E369-T372 PolarHBondContact O-OG1 2.51Å; E369-K373 HydrophobicContact CG-CD 4.14Å; E369-K373 WeakPolarHBondContact O-CB 3.18Å; E369-K373 PolarHBondContact O-N 2.92Å; E369-K373 IonicContact OE1-NZ 3.73Å; E369-K373 PolarHBondContact OE1-NZ 3.48Å; E369-G376 WeakPolarHBondContact OE2-CA 3.49Å
370Y86.5Confident80.5Confident8 Ų846.5 Ų46.53%0.03125%0.247CC..Hα-helixtrans-65.1-47.2177.6-177.2-106.1000112.6F80 A83 V84 G237 T366 L367 L368 T372 G374 E375 L378 A379F80-Y370 HydrophobicContact CE1-CE1 4.12Å; F80-Y370 HydrophobicContact CE2-CE1 4.3Å; F80-Y370 HydrophobicContact CZ-CD1 4.21Å; F80-Y370 AromaticContact CZ-CE1 3.52Å; F80-Y370 HydrophobicContact CZ-CE1 3.52Å; A83-Y370 PolarHBondContact O-OH 3.11Å; V84-Y370 HydrophobicContact CB-CE1 4.23Å; V84-Y370 HydrophobicContact CG1-CD1 4.36Å; V84-Y370 HydrophobicContact CG1-CE1 3.84Å; V84-Y370 HydrophobicContact CG2-CE1 3.68Å; G237-Y370 WeakPolarHBondContact O-CE2 3.32Å; T366-Y370 PolarHBondContact O-N 3.33Å; L367-Y370 PolarHBondContact O-N 2.9Å; L368-Y370 VanDerWaalsContact C-N 3.34Å; L368-Y370 PolarHBondContact O-N 2.68Å; Y370-T372 VanDerWaalsContact C-N 3.26Å; Y370-T372 PolarHBondContact O-N 3.3Å; Y370-G374 VanDerWaalsContact O-CA 3.31Å; Y370-G374 WeakPolarHBondContact O-CA 3.33Å; Y370-G374 PolarHBondContact O-N 3.44Å; Y370-E375 WeakPolarHBondContact CA-O 3.25Å; Y370-E375 PolarHBondContact N-O 2.87Å; Y370-L378 HydrophobicContact CD1-CB 4.18Å; Y370-L378 HydrophobicContact CD1-CD1 4.26Å; Y370-L378 HydrophobicContact CD2-CB 3.82Å; Y370-L378 HydrophobicContact CE2-CB 4.44Å; Y370-L378 HydrophobicContact CG-CB 3.67Å; Y370-L378 HydrophobicContact CG-CD1 4.21Å; Y370-A379 HydrophobicContact CD2-CB 4.01Å; Y370-A379 HydrophobicContact CE2-CB 4Å
371L86.4Confident81.2Confident9 Ų942 Ų425%0.04723%0.226CC..Hα-helixtrans-64.2-30.3-179.2-70176.5000113.2L8 L11 Y12 K15 F80 L367 L368L8-L371 HydrophobicContact CD2-CD1 4.1Å; L11-L371 HydrophobicContact CB-CB 4.43Å; L11-L371 HydrophobicContact CB-CD1 4.01Å; Y12-L371 HydrophobicContact CD2-CD1 4.33Å; Y12-L371 HydrophobicContact CD2-CD2 4.02Å; K15-L371 HydrophobicContact CB-CD2 4.45Å; K15-L371 HydrophobicContact CG-CD2 4.09Å; F80-L371 HydrophobicContact CE1-CD2 3.59Å; F80-L371 HydrophobicContact CZ-CD2 3.84Å; L367-L371 HydrophobicContact CD1-CD1 3.94Å; L367-L371 HydrophobicContact CD1-CG 4.01Å; L367-L371 HydrophobicContact CD2-CD1 4.42Å; L367-L371 HydrophobicContact CG-CD1 3.82Å; L367-L371 HydrophobicContact CG-CG 4.29Å; L367-L371 WeakPolarHBondContact O-CB 3.39Å; L367-L371 VanDerWaalsContact O-CG 3.31Å; L367-L371 WeakPolarHBondContact O-CG 3.42Å; L367-L371 PolarHBondContact O-N 3.16Å; L368-L371 PolarHBondContact O-N 3.48Å
372T85.8Confident81.9Confident83 Ų8342 Ų4251%0.50923%0.227SC..Hα-helixtrans-94.6-36.7-176.456.10000113.6L11 L368 E369 Y370L11-T372 HydrophobicContact CD1-CG2 4.21Å; L368-T372 HydrophobicContact CD1-CG2 3.94Å; L368-T372 HydrophobicContact CG-CG2 4.42Å; L368-T372 WeakPolarHBondContact O-CB 3.44Å; L368-T372 WeakPolarHBondContact O-CG2 3.41Å; L368-T372 PolarHBondContact O-N 3.23Å; L368-T372 PolarHBondContact O-OG1 3.35Å; E369-T372 PolarHBondContact O-N 3.49Å; E369-T372 PolarHBondContact O-OG1 2.51Å; Y370-T372 VanDerWaalsContact C-N 3.26Å; Y370-T372 PolarHBondContact O-N 3.3Å
373K83.4Confident82.9Confident125 Ų12536.6 Ų36.654%0.54320%0.198SC..Hα-helixtrans-111.8-17.5-174.4-55-176-166163.10114.4E369 E375E369-K373 HydrophobicContact CG-CD 4.14Å; E369-K373 WeakPolarHBondContact O-CB 3.18Å; E369-K373 PolarHBondContact O-N 2.92Å; E369-K373 IonicContact OE1-NZ 3.73Å; E369-K373 PolarHBondContact OE1-NZ 3.48Å; K373-E375 HydrophobicContact CB-CB 4.08Å; K373-E375 HydrophobicContact CB-CG 4.24Å; K373-E375 PolarHBondContact O-N 2.95Å
374G79.6Confident83.5Confident22 Ų2235.2 Ų35.223%0.22719%0.189CC..SBendtrans64.823.4-168.300000112.8Y370Y370-G374 VanDerWaalsContact O-CA 3.31Å; Y370-G374 WeakPolarHBondContact O-CA 3.33Å; Y370-G374 PolarHBondContact O-N 3.44Å
375E79.2Confident84Confident68 Ų6830.7 Ų30.732%0.31817%0.169SC..  trans-124.7-169.2-179.7-62.5-175.7159.800108.5K189 I193 Y370 K373K189-E375 IonicContact NZ-OE1 3.31Å; K189-E375 PolarHBondContact NZ-OE1 3.44Å; I193-E375 HydrophobicContact CD1-CB 4.44Å; Y370-E375 WeakPolarHBondContact CA-O 3.25Å; Y370-E375 PolarHBondContact N-O 2.87Å; K373-E375 HydrophobicContact CB-CB 4.08Å; K373-E375 HydrophobicContact CB-CG 4.24Å; K373-E375 PolarHBondContact O-N 2.95Å
376G77.5Confident84.5Confident1 Ų126.8 Ų26.81%0.0114%0.141CC..SBendtrans92.3-178-176.600000113E369 L378 A379 N380E369-G376 WeakPolarHBondContact OE2-CA 3.49Å; G376-L378 VanDerWaalsContact C-N 3.3Å; G376-L378 PolarHBondContact O-N 2.85Å; G376-A379 WeakPolarHBondContact O-CB 3.28Å; G376-A379 PolarHBondContact O-N 3.48Å; G376-N380 PolarHBondContact O-ND2 3.41Å; G376-N380 VanDerWaalsContact O-ND2 3.08Å
377L80Confident85.3Confident7 Ų726 Ų264%0.03714%0.137CC..G310 helixtrans-56.8-42.1179.3173.562.4000112.6F86 L196 I361 T366 A379 N380F86-L377 HydrophobicContact CD2-CD1 4.24Å; F86-L377 HydrophobicContact CD2-CG 4.43Å; F86-L377 HydrophobicContact CE2-CD1 3.86Å; F86-L377 HydrophobicContact CE2-CG 4.25Å; L196-L377 HydrophobicContact CD1-CD1 3.66Å; L196-L377 HydrophobicContact CD2-CD1 3.8Å; L196-L377 HydrophobicContact CG-CD1 3.49Å; L196-L377 VanDerWaalsContact CG-CD1 3.49Å; I361-L377 VanDerWaalsContact CA-CD2 3.5Å; I361-L377 HydrophobicContact CB-CD2 3.97Å; I361-L377 HydrophobicContact CG1-CD2 3.83Å; I361-L377 HydrophobicContact CG2-CD2 3.99Å; T366-L377 HydrophobicContact CG2-CB 3.89Å; T366-L377 HydrophobicContact CG2-CD2 4.21Å; T366-L377 HydrophobicContact CG2-CG 4.42Å; L377-A379 PolarHBondContact O-N 3.39Å; L377-A379 VanDerWaalsContact O-N 3.17Å; L377-N380 WeakPolarHBondContact O-CB 3.4Å; L377-N380 PolarHBondContact O-N 3.48Å; L377-N380 PolarHBondContact O-ND2 2.98Å
378L82.6Confident85.9Confident13 Ų1323.5 Ų23.57%0.06812%0.124CC..G310 helixtrans-65.3-19-178.1-64.2177000113.9V84 P85 F86 T366 L367 Y370 G376 N380V84-L378 HydrophobicContact CG1-CB 3.8Å; V84-L378 HydrophobicContact CG1-CD2 4.49Å; V84-L378 WeakPolarHBondContact CG1-O 3.31Å; P85-L378 VanDerWaalsContact CD-O 3.28Å; P85-L378 WeakPolarHBondContact CD-O 3.34Å; F86-L378 HydrophobicContact CB-CB 4.48Å; F86-L378 HydrophobicContact CB-CD2 4.09Å; F86-L378 WeakPolarHBondContact CB-O 2.97Å; F86-L378 HydrophobicContact CD1-CD2 4.01Å; F86-L378 HydrophobicContact CG-CD2 4.25Å; F86-L378 PolarHBondContact N-O 3Å; T366-L378 HydrophobicContact CG2-CD1 4.06Å; T366-L378 HydrophobicContact CG2-CD2 4.18Å; T366-L378 HydrophobicContact CG2-CG 3.62Å; L367-L378 HydrophobicContact CD1-CD1 4.01Å; Y370-L378 HydrophobicContact CD1-CB 4.18Å; Y370-L378 HydrophobicContact CD1-CD1 4.26Å; Y370-L378 HydrophobicContact CD2-CB 3.82Å; Y370-L378 HydrophobicContact CE2-CB 4.44Å; Y370-L378 HydrophobicContact CG-CB 3.67Å; Y370-L378 HydrophobicContact CG-CD1 4.21Å; G376-L378 VanDerWaalsContact C-N 3.3Å; G376-L378 PolarHBondContact O-N 2.85Å; L378-N380 PolarHBondContact O-N 2.88Å
379A81.7Confident86.3Confident0 Ų021 Ų210%011%0.111CC..G310 helixtrans-78.3-3.4174.800000113.3N191 Y370 G376 L377N191-A379 VanDerWaalsContact ND2-C 3.34Å; N191-A379 PolarHBondContact ND2-O 2.81Å; Y370-A379 HydrophobicContact CD2-CB 4.01Å; Y370-A379 HydrophobicContact CE2-CB 4Å; G376-A379 WeakPolarHBondContact O-CB 3.28Å; G376-A379 PolarHBondContact O-N 3.48Å; L377-A379 PolarHBondContact O-N 3.39Å; L377-A379 VanDerWaalsContact O-N 3.17Å
380N79.9Confident86.6Confident8 Ų819.5 Ų19.54%0.04311%0.105CC..SBendtrans-100158.9179.9-64.4-76000112.5P85 F86 N191 G376 L377 L378P85-N380 CarbonylContact C-O 3.38Å; P85-N380 VanDerWaalsContact C-O 3.25Å; P85-N380 WeakPolarHBondContact CB-O 3.5Å; F86-N380 WeakPolarHBondContact CA-O 3.46Å; F86-N380 WeakPolarHBondContact CB-O 3.2Å; F86-N380 PolarHBondContact N-O 3.41Å; N191-N380 WeakPolarHBondContact CB-OD1 3.38Å; N191-N380 PolarHBondContact ND2-OD1 3.41Å; N191-N380 VanDerWaalsContact ND2-OD1 3.17Å; G376-N380 PolarHBondContact O-ND2 3.41Å; G376-N380 VanDerWaalsContact O-ND2 3.08Å; L377-N380 WeakPolarHBondContact O-CB 3.4Å; L377-N380 PolarHBondContact O-N 3.48Å; L377-N380 PolarHBondContact O-ND2 2.98Å; L378-N380 PolarHBondContact O-N 2.88Å
381T85.3Confident87Confident8 Ų820.4 Ų20.45%0.04911%0.11CC..  trans-55.4144.8167.6177.10000111.8S132 A134 P230 T232 T383S132-T381 VanDerWaalsContact O-CA 3.22Å; S132-T381 WeakPolarHBondContact O-CA 3.43Å; S132-T381 WeakPolarHBondContact O-CB 3.45Å; S132-T381 PolarHBondContact O-OG1 2.93Å; A134-T381 WeakPolarHBondContact CA-OG1 3.48Å; A134-T381 WeakPolarHBondContact CB-OG1 3.32Å; A134-T381 PolarHBondContact N-OG1 3.47Å; P230-T381 HydrophobicContact CG-CG2 4.4Å; T232-T381 WeakPolarHBondContact OG1-CG2 3.26Å; T232-T381 PolarHBondContact OG1-N 3.24Å; T381-T383 WeakPolarHBondContact CG2-O 3.4Å; T381-T383 PolarHBondContact O-N 2.92Å; T381-T383 PolarHBondContact OG1-N 2.88Å
382S83.6Confident87.2Confident3 Ų323.3 Ų23.32%0.02113%0.126CC..SBendtrans-71.7-10.8169.163.20000112.7F86 D88 S132 I384 P405F86-S382 WeakPolarHBondContact O-CB 3.4Å; D88-S382 PolarHBondContact OD1-OG 3.29Å; D88-S382 PolarHBondContact OD2-OG 3.35Å; S132-S382 WeakPolarHBondContact CB-OG 3.46Å; S132-S382 PolarHBondContact O-N 3.32Å; S382-I384 PolarHBondContact O-N 2.89Å; S382-P405 WeakPolarHBondContact O-CD 3.31Å
383T89.5Confident87.4Confident2 Ų228.4 Ų28.41%0.01214%0.141CC..  trans-88.4105.6176-55.20000110.6S132 A134 P230 T381 G385 V386 E402S132-T383 WeakPolarHBondContact CB-OG1 3.31Å; S132-T383 PolarHBondContact OG-OG1 3.34Å; S132-T383 VanDerWaalsContact OG-OG1 3.04Å; A134-T383 HydrophobicContact CB-CG2 4.47Å; P230-T383 HydrophobicContact CG-CG2 3.94Å; P230-T383 WeakPolarHBondContact CG-O 3.39Å; T381-T383 WeakPolarHBondContact CG2-O 3.4Å; T381-T383 PolarHBondContact O-N 2.92Å; T381-T383 PolarHBondContact OG1-N 2.88Å; T383-G385 WeakPolarHBondContact CG2-O 3.43Å; T383-V386 HydrophobicContact CG2-CG2 3.59Å; T383-E402 HydrophobicContact CG2-CB 4.04Å; T383-E402 HydrophobicContact CG2-CG 4.19Å; T383-E402 PolarHBondContact OG1-OE1 2.95Å; T383-E402 VanDerWaalsContact OG1-OE1 3.08Å
384I88.6Confident87.6Confident1 Ų126.2 Ų26.21%0.00514%0.142CC..  trans-64.3-42.1178.6-65.8161.5000110.7L196 L199 K200 S382 L403 P405 L440L196-I384 HydrophobicContact CD1-CG1 4.45Å; L199-I384 HydrophobicContact CB-CD1 4.32Å; L199-I384 HydrophobicContact CB-CG2 3.77Å; L199-I384 HydrophobicContact CD1-CD1 3.96Å; K200-I384 HydrophobicContact CG-CG2 4.05Å; S382-I384 PolarHBondContact O-N 2.89Å; I384-L403 HydrophobicContact CB-CB 4.45Å; I384-L403 HydrophobicContact CB-CD2 4.18Å; I384-L403 HydrophobicContact CB-CG 4.25Å; I384-L403 WeakPolarHBondContact CB-O 3.47Å; I384-L403 HydrophobicContact CD1-CD2 4.43Å; I384-L403 HydrophobicContact CD1-CG 4.31Å; I384-L403 HydrophobicContact CG2-CD2 3.86Å; I384-L403 HydrophobicContact CG2-CG 4.48Å; I384-L403 PolarHBondContact N-O 2.83Å; I384-P405 HydrophobicContact CD1-CG 4.48Å; I384-L440 HydrophobicContact CD1-CD2 3.73Å
385G92Very high87.9Confident0 Ų027.7 Ų27.70%016%0.156CC..EExtended strand (participates in β ladder)trans-159.5152.3-176.400000111.9T383 E402 L403T383-G385 WeakPolarHBondContact CG2-O 3.43Å; G385-E402 WeakPolarHBondContact O-CA 3.24Å; G385-L403 PolarHBondContact N-O 2.94Å; G385-L403 PolarHBondContact O-N 2.93Å
386V95.5Very high88.3Confident0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-123.1148.8177.5-1780000109W203 F227 F228 P230 T383 M388 M400 L401 E402W203-V386 PolarHBondContact NE1-O 3.41Å; F227-V386 CarbonylContact C-O 3.55Å; F227-V386 WeakPolarHBondContact CA-O 3.44Å; F228-V386 HydrophobicContact CD1-CB 4.25Å; F228-V386 HydrophobicContact CD1-CG1 4.49Å; F228-V386 HydrophobicContact CD2-CB 4.31Å; F228-V386 HydrophobicContact CE1-CB 3.71Å; F228-V386 HydrophobicContact CE1-CG1 3.56Å; F228-V386 HydrophobicContact CE2-CB 3.78Å; F228-V386 HydrophobicContact CE2-CG1 4.21Å; F228-V386 HydrophobicContact CE2-CG2 4.18Å; F228-V386 HydrophobicContact CZ-CB 3.45Å; F228-V386 VanDerWaalsContact CZ-CB 3.45Å; F228-V386 HydrophobicContact CZ-CG1 3.4Å; F228-V386 HydrophobicContact CZ-CG2 4.16Å; F228-V386 PolarHBondContact N-O 3.33Å; F228-V386 PolarHBondContact O-N 3.2Å; F228-V386 VanDerWaalsContact O-O 3.09Å; P230-V386 HydrophobicContact CB-CG2 4.17Å; P230-V386 HydrophobicContact CG-CG2 3.86Å; T383-V386 HydrophobicContact CG2-CG2 3.59Å; V386-M388 HydrophobicContact CG1-CE 4.39Å; V386-M400 HydrophobicContact CG1-CG 3.99Å; V386-M400 HydrophobicContact CG1-SD 4.44Å; V386-L401 CarbonylContact C-O 3.37Å; V386-L401 VanDerWaalsContact CA-O 3.22Å; V386-L401 WeakPolarHBondContact CA-O 3.38Å; V386-E402 HydrophobicContact CG2-CG 4.35Å
387A96.5Very high89.1Confident0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-132132164.100000110.5W203 G226 F227 V389 M400 L401W203-A387 HydrophobicContact CZ2-CB 3.74Å; G226-A387 VanDerWaalsContact O-CA 3.28Å; G226-A387 WeakPolarHBondContact O-CA 3.45Å; F227-A387 HydrophobicContact CD1-CB 3.75Å; F227-A387 HydrophobicContact CD2-CB 3.85Å; F227-A387 HydrophobicContact CE1-CB 3.77Å; F227-A387 HydrophobicContact CE2-CB 3.87Å; F227-A387 HydrophobicContact CG-CB 3.76Å; F227-A387 HydrophobicContact CZ-CB 3.82Å; A387-V389 HydrophobicContact CB-CG2 4.3Å; A387-M400 CarbonylContact O-C 3.26Å; A387-M400 WeakPolarHBondContact O-CA 3.41Å; A387-L401 HydrophobicContact CB-CB 4.15Å; A387-L401 HydrophobicContact CB-CD1 4.37Å; A387-L401 HydrophobicContact CB-CG 4.5Å; A387-L401 PolarHBondContact N-O 2.85Å; A387-L401 PolarHBondContact O-N 3.44Å
388M96.5Very high89.8Confident2 Ų224.9 Ų24.91%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-99.6122.7170-69.2-69.2179.200108.1V136 I221 F222 G225 G226 F228 V386 P397 M400 L447V136-M388 HydrophobicContact CG1-CE 3.52Å; I221-M388 HydrophobicContact CG2-CB 4.38Å; I221-M388 HydrophobicContact CG2-CG 3.74Å; F222-M388 HydrophobicContact CE1-CE 4Å; F222-M388 HydrophobicContact CE1-CG 4.41Å; F222-M388 HydrophobicContact CE1-SD 4.27Å; G225-M388 CarbonylContact C-O 3.59Å; G225-M388 WeakPolarHBondContact CA-O 3.43Å; G226-M388 PolarHBondContact N-O 3.19Å; G226-M388 PolarHBondContact O-N 3.33Å; F228-M388 HydrophobicContact CE1-CG 4.06Å; V386-M388 HydrophobicContact CG1-CE 4.39Å; M388-P397 HydrophobicContact CB-CB 3.89Å; M388-P397 HydrophobicContact CB-CG 3.79Å; M388-P397 HydrophobicContact SD-CB 4.38Å; M388-M400 HydrophobicContact CE-CB 4.44Å; M388-M400 HydrophobicContact CE-CG 3.95Å; M388-M400 HydrophobicContact CE-SD 3.51Å; M388-M400 VanDerWaalsContact CE-SD 3.51Å; M388-M400 HydrophobicContact SD-CB 4Å; M388-M400 HydrophobicContact SD-CG 4.04Å; M388-M400 HydrophobicContact SD-SD 4.28Å; M388-L447 HydrophobicContact SD-CD1 4.01Å
389V95.2Very high90.5Very high14 Ų1424.3 Ų24.39%0.08514%0.141CC..EExtended strand (participates in β ladder)trans-126.1128.4-172.8-171.40000109.6A387 L391 P397 D398 I399 L401 F489A387-V389 HydrophobicContact CB-CG2 4.3Å; V389-L391 HydrophobicContact CG1-CD2 3.51Å; V389-L391 HydrophobicContact CG1-CG 3.92Å; V389-P397 WeakPolarHBondContact O-CA 3.26Å; V389-D398 PolarHBondContact O-N 3.07Å; V389-I399 HydrophobicContact CB-CB 4.4Å; V389-I399 PolarHBondContact N-O 3.06Å; V389-I399 PolarHBondContact O-N 3.23Å; V389-L401 HydrophobicContact CG2-CD1 4.38Å; V389-F489 HydrophobicContact CG1-CD2 3.97Å; V389-F489 HydrophobicContact CG1-CE2 3.61Å; V389-F489 HydrophobicContact CG1-CZ 4.04Å; V389-F489 HydrophobicContact CG2-CE1 4.01Å; V389-F489 HydrophobicContact CG2-CE2 4.25Å; V389-F489 HydrophobicContact CG2-CZ 3.81Å
390D93.9Very high91.3Very high35 Ų3524.8 Ų24.819%0.18714%0.144CC..  trans-98.485.2171.4178.415.8000108.9D392 K393 S394 G395 S396D390-D392 VanDerWaalsContact C-N 3.3Å; D390-K393 PolarHBondContact O-N 2.8Å; D390-K393 WeakPolarHBondContact OD1-CA 3.4Å; D390-K393 PolarHBondContact OD1-N 2.94Å; D390-K393 VanDerWaalsContact OD2-C 3.26Å; D390-K393 VanDerWaalsContact OD2-CA 3.26Å; D390-K393 WeakPolarHBondContact OD2-CA 3.49Å; D390-S394 VanDerWaalsContact CG-N 3.3Å; D390-S394 PolarHBondContact OD1-N 2.77Å; D390-S394 PolarHBondContact OD1-OG 3.03Å; D390-S394 VanDerWaalsContact OD1-OG 3.06Å; D390-S394 PolarHBondContact OD2-N 2.91Å; D390-G395 WeakPolarHBondContact OD2-CA 2.94Å; D390-G395 PolarHBondContact OD2-N 3.21Å; D390-S396 VanDerWaalsContact CG-O 3.31Å
391L93.8Very high92.1Very high27 Ų2724.4 Ų24.414%0.14114%0.142CC..THydrogen-bonded Turntrans-68.6-34.3179.7-67.2-176.1000111.1V389 K393 D398 I399 R485 F489V389-L391 HydrophobicContact CG1-CD2 3.51Å; V389-L391 HydrophobicContact CG1-CG 3.92Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.42Å; L391-D398 PolarHBondContact N-OD1 3.27Å; L391-I399 HydrophobicContact CD1-CB 4.33Å; L391-I399 HydrophobicContact CD1-CG1 3.48Å; L391-I399 VanDerWaalsContact CD1-CG1 3.48Å; L391-I399 HydrophobicContact CG-CG1 4.07Å; L391-R485 VanDerWaalsContact C-NH2 3.28Å; L391-R485 HydrophobicContact CD1-CB 3.85Å; L391-R485 PolarHBondContact O-NH2 2.98Å; L391-F489 HydrophobicContact CD2-CB 4.36Å; L391-F489 HydrophobicContact CD2-CD2 3.78Å; L391-F489 HydrophobicContact CD2-CG 4.38Å
392D91.1Very high92.6Very high70 Ų7025.4 Ų25.437%0.37415%0.146SC..THydrogen-bonded Turntrans-76.1-9.8179.9-79.1-5.4000114.1D390 S394 K482 R485D390-D392 VanDerWaalsContact C-N 3.3Å; D392-S394 PolarHBondContact O-N 2.96Å; D392-K482 WeakPolarHBondContact OD2-CE 3.44Å; D392-K482 IonicContact OD2-NZ 2.8Å; D392-K482 PolarHBondContact OD2-NZ 2.93Å; D392-R485 IonicContact OD1-CZ 3.9Å; D392-R485 IonicContact OD1-NH1 2.75Å; D392-R485 PolarHBondContact OD1-NH1 2.99Å; D392-R485 IonicContact OD1-NH2 3.39Å
393K89.9Confident93.1Very high190 Ų19025.4 Ų25.483%0.82615%0.146SC*.  trans54.438.1-171.7-55.7-178178.9-178.50111.6D390 L391 G395D390-K393 PolarHBondContact O-N 2.8Å; D390-K393 WeakPolarHBondContact OD1-CA 3.4Å; D390-K393 PolarHBondContact OD1-N 2.94Å; D390-K393 VanDerWaalsContact OD2-C 3.26Å; D390-K393 VanDerWaalsContact OD2-CA 3.26Å; D390-K393 WeakPolarHBondContact OD2-CA 3.49Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.42Å; K393-G395 VanDerWaalsContact C-N 3.35Å
394S87.3Confident93Very high80 Ų8026.7 Ų26.756%0.55915%0.151SC*.SBendtrans-83.7-10.4-177.366.90000113.6D390 D392 S396D390-S394 VanDerWaalsContact CG-N 3.3Å; D390-S394 PolarHBondContact OD1-N 2.77Å; D390-S394 PolarHBondContact OD1-OG 3.03Å; D390-S394 VanDerWaalsContact OD1-OG 3.06Å; D390-S394 PolarHBondContact OD2-N 2.91Å; D392-S394 PolarHBondContact O-N 2.96Å; S394-S396 PolarHBondContact OG-N 2.83Å; S394-S396 PolarHBondContact OG-O 3.33Å; S394-S396 VanDerWaalsContact OG-O 3.07Å
395G86Confident92.6Very high52 Ų5227.1 Ų27.154%0.53615%0.154SC..SBendtrans87.53.1-171.200000113.8D390 K393D390-G395 WeakPolarHBondContact OD2-CA 2.94Å; D390-G395 PolarHBondContact OD2-N 3.21Å; K393-G395 VanDerWaalsContact C-N 3.35Å
396S88.7Confident91.8Very high14 Ų1427.2 Ų27.210%0.09815%0.154CC..SBendtrans-139.5135.3176.5-1740000109.5R145 D390 S394 D398R145-S396 PolarHBondContact NH1-OG 3.05Å; R145-S396 VanDerWaalsContact NH1-OG 3.14Å; D390-S396 VanDerWaalsContact CG-O 3.31Å; S394-S396 PolarHBondContact OG-N 2.83Å; S394-S396 PolarHBondContact OG-O 3.33Å; S394-S396 VanDerWaalsContact OG-O 3.07Å; S396-D398 PolarHBondContact O-N 3.06Å
397P94.2Very high90.1Very high1 Ų128.7 Ų28.71%0.00617%0.167CC..  trans-55136.9174.7-27.335.6000112.3F222 M388 V389 L447 H448 T575F222-P397 HydrophobicContact CD1-CG 4.4Å; F222-P397 WeakPolarHBondContact O-CD 3.47Å; M388-P397 HydrophobicContact CB-CB 3.89Å; M388-P397 HydrophobicContact CB-CG 3.79Å; M388-P397 HydrophobicContact SD-CB 4.38Å; V389-P397 WeakPolarHBondContact O-CA 3.26Å; P397-L447 HydrophobicContact CB-CD1 4.08Å; P397-H448 PolarHBondContact O-CE1 2.96Å; P397-H448 VanDerWaalsContact O-CE1 3.27Å; P397-T575 HydrophobicContact CB-CG2 4.18Å; P397-T575 HydrophobicContact CG-CG2 4.47Å
398D94.9Very high88.3Confident2 Ų231 Ų311%0.01118%0.179CC..  trans-119-17.2176.567-21.2000113V389 L391 S396 L447 K482V389-D398 PolarHBondContact O-N 3.07Å; L391-D398 PolarHBondContact N-OD1 3.27Å; S396-D398 PolarHBondContact O-N 3.06Å; D398-L447 WeakPolarHBondContact O-CB 3.41Å; D398-L447 PolarHBondContact O-N 3.25Å; D398-K482 IonicContact OD2-NZ 3.69Å; D398-K482 PolarHBondContact OD2-NZ 3.44Å
399I97.5Very high86.5Confident1 Ų135.5 Ų35.51%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-119137.1169.8-63.7-59000110.2V389 L391 L401 V444 T445 L446V389-I399 HydrophobicContact CB-CB 4.4Å; V389-I399 PolarHBondContact N-O 3.06Å; V389-I399 PolarHBondContact O-N 3.23Å; L391-I399 HydrophobicContact CD1-CB 4.33Å; L391-I399 HydrophobicContact CD1-CG1 3.48Å; L391-I399 VanDerWaalsContact CD1-CG1 3.48Å; L391-I399 HydrophobicContact CG-CG1 4.07Å; I399-L401 HydrophobicContact CG2-CD2 3.71Å; I399-L401 HydrophobicContact CG2-CG 4.23Å; I399-V444 HydrophobicContact CG2-CG1 4Å; I399-T445 WeakPolarHBondContact CA-O 3.38Å; I399-L446 HydrophobicContact CD1-CB 4.42Å; I399-L446 HydrophobicContact CD1-CD1 4.12Å
400M97.3Very high85.2Confident11 Ų1135.7 Ų35.75%0.05421%0.212CC..EExtended strand (participates in β ladder)trans-111.4135.2164.4178.1174.6125.700108.8V386 A387 M388 E402 T445 L447V386-M400 HydrophobicContact CG1-CG 3.99Å; V386-M400 HydrophobicContact CG1-SD 4.44Å; A387-M400 CarbonylContact O-C 3.26Å; A387-M400 WeakPolarHBondContact O-CA 3.41Å; M388-M400 HydrophobicContact CE-CB 4.44Å; M388-M400 HydrophobicContact CE-CG 3.95Å; M388-M400 HydrophobicContact CE-SD 3.51Å; M388-M400 VanDerWaalsContact CE-SD 3.51Å; M388-M400 HydrophobicContact SD-CB 4Å; M388-M400 HydrophobicContact SD-CG 4.04Å; M388-M400 HydrophobicContact SD-SD 4.28Å; M400-E402 HydrophobicContact CE-CG 3.42Å; M400-E402 VanDerWaalsContact CE-CG 3.42Å; M400-E402 WeakPolarHBondContact CE-OE2 3.34Å; M400-E402 HydrophobicContact CG-CG 4.43Å; M400-T445 PolarHBondContact N-O 2.99Å; M400-T445 PolarHBondContact O-N 3.34Å; M400-L447 HydrophobicContact CB-CD1 4.14Å; M400-L447 HydrophobicContact CB-CD2 3.7Å; M400-L447 HydrophobicContact CB-CG 4.05Å; M400-L447 HydrophobicContact SD-CD2 4.37Å
401L97.5Very high84.3Confident0 Ų034.4 Ų34.40%021%0.205CC..EExtended strand (participates in β ladder)trans-111.5135.6171.6-53.2179.5000108.9W203 V386 A387 V389 I399 I442 V443 V444 F489 V490W203-L401 HydrophobicContact CH2-CB 3.93Å; W203-L401 HydrophobicContact CH2-CD1 4.47Å; W203-L401 HydrophobicContact CZ2-CB 4.24Å; V386-L401 CarbonylContact C-O 3.37Å; V386-L401 VanDerWaalsContact CA-O 3.22Å; V386-L401 WeakPolarHBondContact CA-O 3.38Å; A387-L401 HydrophobicContact CB-CB 4.15Å; A387-L401 HydrophobicContact CB-CD1 4.37Å; A387-L401 HydrophobicContact CB-CG 4.5Å; A387-L401 PolarHBondContact N-O 2.85Å; A387-L401 PolarHBondContact O-N 3.44Å; V389-L401 HydrophobicContact CG2-CD1 4.38Å; I399-L401 HydrophobicContact CG2-CD2 3.71Å; I399-L401 HydrophobicContact CG2-CG 4.23Å; L401-I442 HydrophobicContact CB-CG2 4.33Å; L401-I442 HydrophobicContact CD2-CG2 4.37Å; L401-V443 VanDerWaalsContact CA-O 3.28Å; L401-V443 WeakPolarHBondContact CA-O 3.35Å; L401-V444 HydrophobicContact CD2-CB 4.14Å; L401-V444 HydrophobicContact CD2-CG1 3.95Å; L401-V444 HydrophobicContact CD2-CG2 3.84Å; L401-F489 HydrophobicContact CD1-CD1 3.57Å; L401-F489 HydrophobicContact CD1-CE1 3.56Å; L401-V490 HydrophobicContact CD1-CG2 4.17Å; L401-V490 HydrophobicContact CD2-CG2 3.89Å
402E95.5Very high83.6Confident29 Ų2938.5 Ų38.514%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-122.8124.8170.4-62.9-174.585.900109.4T383 G385 V386 M400 K404 I442 V443T383-E402 HydrophobicContact CG2-CB 4.04Å; T383-E402 HydrophobicContact CG2-CG 4.19Å; T383-E402 PolarHBondContact OG1-OE1 2.95Å; T383-E402 VanDerWaalsContact OG1-OE1 3.08Å; G385-E402 WeakPolarHBondContact O-CA 3.24Å; V386-E402 HydrophobicContact CG2-CG 4.35Å; M400-E402 HydrophobicContact CE-CG 3.42Å; M400-E402 VanDerWaalsContact CE-CG 3.42Å; M400-E402 WeakPolarHBondContact CE-OE2 3.34Å; M400-E402 HydrophobicContact CG-CG 4.43Å; E402-K404 HydrophobicContact CB-CD 4.39Å; E402-K404 HydrophobicContact CB-CG 4.2Å; E402-I442 CarbonylContact O-C 3.57Å; E402-I442 VanDerWaalsContact O-CA 3.3Å; E402-I442 WeakPolarHBondContact O-CA 3.37Å; E402-V443 HydrophobicContact CB-CB 4.27Å; E402-V443 PolarHBondContact N-O 2.88Å; E402-V443 PolarHBondContact O-N 2.92Å
403L93Very high82.8Confident3 Ų338.2 Ų38.22%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-88.8120.9166.7-177.670.6000108.3W203 L347 I384 G385 L440 E441 I442W203-L403 HydrophobicContact CB-CD2 4.06Å; W203-L403 HydrophobicContact CD2-CB 4.02Å; W203-L403 HydrophobicContact CD2-CD2 4.25Å; W203-L403 HydrophobicContact CE3-CB 3.67Å; W203-L403 HydrophobicContact CE3-CD2 3.8Å; W203-L403 HydrophobicContact CE3-CG 4.2Å; W203-L403 HydrophobicContact CG-CD2 4.41Å; W203-L403 HydrophobicContact CH2-CB 4.24Å; W203-L403 HydrophobicContact CZ3-CB 3.79Å; L347-L403 HydrophobicContact CD2-CD1 4.23Å; I384-L403 HydrophobicContact CB-CB 4.45Å; I384-L403 HydrophobicContact CB-CD2 4.18Å; I384-L403 HydrophobicContact CB-CG 4.25Å; I384-L403 WeakPolarHBondContact CB-O 3.47Å; I384-L403 HydrophobicContact CD1-CD2 4.43Å; I384-L403 HydrophobicContact CD1-CG 4.31Å; I384-L403 HydrophobicContact CG2-CD2 3.86Å; I384-L403 HydrophobicContact CG2-CG 4.48Å; I384-L403 PolarHBondContact N-O 2.83Å; G385-L403 PolarHBondContact N-O 2.94Å; G385-L403 PolarHBondContact O-N 2.93Å; L403-L440 HydrophobicContact CD1-CB 4.12Å; L403-L440 HydrophobicContact CD1-CD1 4.24Å; L403-E441 WeakPolarHBondContact CA-O 3.43Å; L403-I442 HydrophobicContact CD1-CD1 4.45Å; L403-I442 HydrophobicContact CD1-CG1 3.78Å
404K87.9Confident82.2Confident29 Ų2929.8 Ų29.813%0.12618%0.179CC..EExtended strand (participates in β ladder)trans-129.1151.6-179.7-57.3179.271.3-162.60109.8D88 E402 L440 E441 V443D88-K404 VanDerWaalsContact OD2-CE 3.3Å; D88-K404 WeakPolarHBondContact OD2-CE 3.49Å; D88-K404 IonicContact OD2-NZ 2.57Å; D88-K404 PolarHBondContact OD2-NZ 3.02Å; E402-K404 HydrophobicContact CB-CD 4.39Å; E402-K404 HydrophobicContact CB-CG 4.2Å; K404-L440 CarbonylContact O-C 3.43Å; K404-L440 WeakPolarHBondContact O-CA 3.3Å; K404-E441 HydrophobicContact CB-CG 3.82Å; K404-E441 PolarHBondContact N-O 3.19Å; K404-E441 PolarHBondContact O-N 3.46Å; K404-V443 HydrophobicContact CD-CG2 3.98Å
405P80.3Confident82.1Confident10 Ų1026.3 Ų26.37%0.06515%0.154CC..EExtended strand (participates in β ladder)trans-68.1131.6156.626.9-18.1000107.2F86 I361 S382 I384F86-P405 HydrophobicContact CE1-CG 4.09Å; F86-P405 HydrophobicContact CE2-CG 3.95Å; F86-P405 HydrophobicContact CZ-CB 4.21Å; F86-P405 HydrophobicContact CZ-CG 3.33Å; I361-P405 HydrophobicContact CD1-CB 3.71Å; I361-P405 HydrophobicContact CD1-CG 4.35Å; S382-P405 WeakPolarHBondContact O-CD 3.31Å; I384-P405 HydrophobicContact CD1-CG 4.48Å
406A74.8Confident82Confident1 Ų127.7 Ų27.71%0.00815%0.146CC..PPolyproline II helixtrans-64.4161172.300000110.5L408 M414 F439A406-L408 PolarHBondContact O-N 2.91Å; A406-M414 HydrophobicContact CB-SD 4.26Å; A406-F439 HydrophobicContact CB-CD1 3.87Å; A406-F439 HydrophobicContact CB-CD2 3.61Å; A406-F439 HydrophobicContact CB-CE1 3.48Å; A406-F439 VanDerWaalsContact CB-CE1 3.48Å; A406-F439 HydrophobicContact CB-CE2 3.21Å; A406-F439 HydrophobicContact CB-CG 3.9Å; A406-F439 HydrophobicContact CB-CZ 3.13Å; A406-F439 WeakPolarHBondContact CB-O 3.35Å; A406-F439 PolarHBondContact N-O 2.87Å
407A61Low81.6Confident31 Ų3128 Ų2826%0.25615%0.147SC..PPolyproline II helixtrans-47.3128.2-170.800000112.7T409 G410 M414A407-T409 PolarHBondContact O-N 3.31Å; A407-G410 PolarHBondContact O-N 3.04Å; A407-M414 HydrophobicContact CB-CB 3.95Å; A407-M414 HydrophobicContact CB-CG 4.34Å
408L58.4Low81.2Confident50 Ų5029.6 Ų29.626%0.26215%0.154SC..THydrogen-bonded Turntrans-50-29.6172.1-81.9172.2000112.6F86 I361 D362 A406 G410F86-L408 HydrophobicContact CD1-CD1 4.12Å; F86-L408 HydrophobicContact CE1-CD1 4.13Å; F86-L408 HydrophobicContact CE1-CG 4.36Å; I361-L408 HydrophobicContact CB-CD2 4Å; I361-L408 HydrophobicContact CG2-CD1 4.42Å; I361-L408 HydrophobicContact CG2-CD2 3.38Å; I361-L408 HydrophobicContact CG2-CG 4.12Å; D362-L408 HydrophobicContact CB-CD2 3.82Å; A406-L408 PolarHBondContact O-N 2.91Å; L408-G410 VanDerWaalsContact C-N 3.3Å; L408-G410 PolarHBondContact O-N 3.28Å
409T57.9Low81Confident95 Ų9530.8 Ų30.858%0.58316%0.161SC*.THydrogen-bonded Turntrans-82.2-2.3-176.852.30000114.1A407 R413A407-T409 PolarHBondContact O-N 3.31Å; T409-R413 HydrophobicContact CG2-CG 4.26Å; T409-R413 WeakPolarHBondContact OG1-CB 3.33Å; T409-R413 VanDerWaalsContact OG1-CG 3.23Å; T409-R413 WeakPolarHBondContact OG1-CG 3.15Å
410G68.3Low80.8Confident19 Ų1931.3 Ų31.320%0.19616%0.163CC..  trans89.8166.2178.700000114.7A407 L408 K412 R413 M414A407-G410 PolarHBondContact O-N 3.04Å; L408-G410 VanDerWaalsContact C-N 3.3Å; L408-G410 PolarHBondContact O-N 3.28Å; G410-K412 VanDerWaalsContact C-N 3.32Å; G410-K412 PolarHBondContact O-N 2.98Å; G410-R413 PolarHBondContact O-N 3.44Å; G410-M414 PolarHBondContact O-N 3.36Å; G410-M414 VanDerWaalsContact O-N 3.15Å
411I75.5Confident80.6Confident8 Ų834.7 Ų34.74%0.04118%0.175CC..Hα-helixtrans-55.5-45.4-175.6-64.3-177.6000111.9R413 M414 M415 E425 L428 D429 L434 F439I411-R413 VanDerWaalsContact C-N 3.28Å; I411-R413 PolarHBondContact O-N 3.49Å; I411-M414 WeakPolarHBondContact O-CB 3.35Å; I411-M414 PolarHBondContact O-N 3.03Å; I411-M415 HydrophobicContact CG2-CG 4.05Å; I411-M415 VanDerWaalsContact O-CG 3.31Å; I411-M415 WeakPolarHBondContact O-CG 3.44Å; I411-M415 PolarHBondContact O-N 2.75Å; I411-E425 HydrophobicContact CG2-CG 4.08Å; I411-L428 HydrophobicContact CG2-CD1 4.27Å; I411-D429 HydrophobicContact CD1-CB 4.19Å; I411-L434 HydrophobicContact CD1-CB 3.43Å; I411-L434 VanDerWaalsContact CD1-CB 3.43Å; I411-L434 HydrophobicContact CD1-CD1 3.46Å; I411-L434 VanDerWaalsContact CD1-CD1 3.46Å; I411-L434 HydrophobicContact CD1-CG 4.07Å; I411-L434 HydrophobicContact CG1-CB 4.41Å; I411-F439 HydrophobicContact CD1-CD1 4.49Å; I411-F439 HydrophobicContact CD1-CE1 3.81Å; I411-F439 HydrophobicContact CD1-CZ 3.99Å; I411-F439 HydrophobicContact CG1-CD1 4.28Å; I411-F439 HydrophobicContact CG1-CE1 3.25Å; I411-F439 HydrophobicContact CG1-CZ 3.49Å; I411-F439 VanDerWaalsContact CG1-CZ 3.49Å
412K77.8Confident80.1Confident113 Ų11338.1 Ų38.149%0.49120%0.203SC..Hα-helixtrans-52.5-50.4-179.4-179.7176171.4-177.30111.5G410 M415 E416 E425G410-K412 VanDerWaalsContact C-N 3.32Å; G410-K412 PolarHBondContact O-N 2.98Å; K412-M415 PolarHBondContact O-N 3.43Å; K412-E416 WeakPolarHBondContact CE-OE1 3.22Å; K412-E416 IonicContact NZ-OE1 2.72Å; K412-E416 WeakPolarHBondContact O-CG 3.28Å; K412-E416 PolarHBondContact O-N 2.86Å; K412-E425 HydrophobicContact CB-CG 4.48Å; K412-E425 WeakPolarHBondContact CB-OE2 3.39Å; K412-E425 WeakPolarHBondContact CG-OE2 3.41Å
413R75.7Confident79.9Confident64 Ų6442 Ų4224%0.24222%0.222CC..Hα-helixtrans-69.1-39.8-176.1-179.359-165.9-161.9-0.5111.6T92 T409 G410 I411 M415 E416 D417T92-R413 VanDerWaalsContact CG2-NH2 3.31Å; T92-R413 PolarHBondContact OG1-NH2 2.82Å; T409-R413 HydrophobicContact CG2-CG 4.26Å; T409-R413 WeakPolarHBondContact OG1-CB 3.33Å; T409-R413 VanDerWaalsContact OG1-CG 3.23Å; T409-R413 WeakPolarHBondContact OG1-CG 3.15Å; G410-R413 PolarHBondContact O-N 3.44Å; I411-R413 VanDerWaalsContact C-N 3.28Å; I411-R413 PolarHBondContact O-N 3.49Å; R413-M415 VanDerWaalsContact C-N 3.33Å; R413-M415 PolarHBondContact O-N 2.89Å; R413-E416 PolarHBondContact O-N 2.96Å; R413-D417 WeakPolarHBondContact CG-OD2 3.47Å; R413-D417 IonicContact CZ-OD1 2.86Å; R413-D417 IonicContact CZ-OD2 3.66Å; R413-D417 VanDerWaalsContact NE-CG 3.27Å; R413-D417 IonicContact NE-OD1 2.67Å; R413-D417 PolarHBondContact NE-OD1 3.36Å; R413-D417 IonicContact NE-OD2 3.98Å; R413-D417 PolarHBondContact NE-OD2 3.04Å; R413-D417 IonicContact NH2-OD1 3.66Å; R413-D417 PolarHBondContact NH2-OD1 3.32Å; R413-D417 IonicContact NH2-OD2 3.51Å; R413-D417 VanDerWaalsContact O-CB 3.28Å; R413-D417 WeakPolarHBondContact O-CB 3.48Å; R413-D417 PolarHBondContact O-N 2.83Å
414M77.6Confident79.7Confident13 Ų1341.9 Ų41.96%0.06422%0.221CC..Hα-helixtrans-56-46.1171.9-172.4179.385.300112A406 A407 G410 I411 D417 E418 F439A406-M414 HydrophobicContact CB-SD 4.26Å; A407-M414 HydrophobicContact CB-CB 3.95Å; A407-M414 HydrophobicContact CB-CG 4.34Å; G410-M414 PolarHBondContact O-N 3.36Å; G410-M414 VanDerWaalsContact O-N 3.15Å; I411-M414 WeakPolarHBondContact O-CB 3.35Å; I411-M414 PolarHBondContact O-N 3.03Å; M414-D417 PolarHBondContact O-N 3.21Å; M414-E418 PolarHBondContact O-N 3.43Å; M414-F439 HydrophobicContact CE-CZ 4.1Å; M414-F439 HydrophobicContact SD-CZ 4.31Å
415M84.9Confident79.5Confident6 Ų641.9 Ų41.93%0.0322%0.221CC..Hα-helixtrans-63.5-47176.8-68.1-60.8112.800111.5I411 K412 R413 D417 E418 N419 F420 V424 L428I411-M415 HydrophobicContact CG2-CG 4.05Å; I411-M415 VanDerWaalsContact O-CG 3.31Å; I411-M415 WeakPolarHBondContact O-CG 3.44Å; I411-M415 PolarHBondContact O-N 2.75Å; K412-M415 PolarHBondContact O-N 3.43Å; R413-M415 VanDerWaalsContact C-N 3.33Å; R413-M415 PolarHBondContact O-N 2.89Å; M415-D417 VanDerWaalsContact C-N 3.34Å; M415-D417 PolarHBondContact O-N 2.56Å; M415-E418 PolarHBondContact O-N 2.85Å; M415-N419 PolarHBondContact O-N 2.77Å; M415-F420 HydrophobicContact CB-CB 3.93Å; M415-F420 HydrophobicContact CE-CD2 4.39Å; M415-F420 HydrophobicContact CG-CB 4.47Å; M415-F420 WeakPolarHBondContact O-CB 3.09Å; M415-F420 PolarHBondContact O-N 2.73Å; M415-F420 HydrophobicContact SD-CB 3.92Å; M415-F420 HydrophobicContact SD-CD2 3.73Å; M415-F420 HydrophobicContact SD-CE2 4.42Å; M415-F420 HydrophobicContact SD-CG 3.85Å; M415-V424 HydrophobicContact SD-CB 4.07Å; M415-V424 HydrophobicContact SD-CG1 3.5Å; M415-V424 WeakPolarHBondContact SD-CG1 3.42Å; M415-L428 HydrophobicContact CE-CD1 3.81Å; M415-L428 HydrophobicContact SD-CD1 3.99Å
416E83.8Confident79.8Confident81 Ų8148.9 Ų48.938%0.37925%0.251SS..Hα-helixtrans-59.2-45177.1-74.2174.1175.800111.6N91 K412 R413 E418 N419N91-E416 PolarHBondContact ND2-O 3.34Å; K412-E416 WeakPolarHBondContact CE-OE1 3.22Å; K412-E416 IonicContact NZ-OE1 2.72Å; K412-E416 WeakPolarHBondContact O-CG 3.28Å; K412-E416 PolarHBondContact O-N 2.86Å; R413-E416 PolarHBondContact O-N 2.96Å; E416-E418 PolarHBondContact O-N 3.08Å; E416-N419 PolarHBondContact O-N 2.98Å
417D80.5Confident80.5Confident20 Ų2050.2 Ų50.211%0.10726%0.257CS..Hα-helixtrans-61.1-29.9-178.9-79.9-35.3000112.8G90 N91 R413 M414 M415G90-D417 VanDerWaalsContact CA-CG 3.49Å; G90-D417 WeakPolarHBondContact CA-OD1 3.14Å; N91-D417 VanDerWaalsContact CB-O 3.32Å; N91-D417 WeakPolarHBondContact CB-O 3.46Å; N91-D417 PolarHBondContact N-OD1 2.76Å; N91-D417 PolarHBondContact ND2-O 2.86Å; N91-D417 PolarHBondContact OD1-OD1 2.86Å; R413-D417 WeakPolarHBondContact CG-OD2 3.47Å; R413-D417 IonicContact CZ-OD1 2.86Å; R413-D417 IonicContact CZ-OD2 3.66Å; R413-D417 VanDerWaalsContact NE-CG 3.27Å; R413-D417 IonicContact NE-OD1 2.67Å; R413-D417 PolarHBondContact NE-OD1 3.36Å; R413-D417 IonicContact NE-OD2 3.98Å; R413-D417 PolarHBondContact NE-OD2 3.04Å; R413-D417 IonicContact NH2-OD1 3.66Å; R413-D417 PolarHBondContact NH2-OD1 3.32Å; R413-D417 IonicContact NH2-OD2 3.51Å; R413-D417 VanDerWaalsContact O-CB 3.28Å; R413-D417 WeakPolarHBondContact O-CB 3.48Å; R413-D417 PolarHBondContact O-N 2.83Å; M414-D417 PolarHBondContact O-N 3.21Å; M415-D417 VanDerWaalsContact C-N 3.34Å; M415-D417 PolarHBondContact O-N 2.56Å
418E85Confident81.7Confident36 Ų3649.4 Ų49.417%0.16825%0.248CC..THydrogen-bonded Turntrans-96.99.2176.8-62.4-161171.100114.1Q344 M414 M415 E416 F420Q344-E418 VanDerWaalsContact NE2-CD 3.34Å; Q344-E418 PolarHBondContact NE2-OE1 2.86Å; Q344-E418 PolarHBondContact NE2-OE2 2.68Å; M414-E418 PolarHBondContact O-N 3.43Å; M415-E418 PolarHBondContact O-N 2.85Å; E416-E418 PolarHBondContact O-N 3.08Å; E418-F420 VanDerWaalsContact C-N 3.25Å; E418-F420 HydrophobicContact CB-CD2 3.69Å; E418-F420 HydrophobicContact CB-CE2 3.8Å; E418-F420 PolarHBondContact O-N 2.72Å; E418-F420 WeakPolarHBondContact OE2-CE2 3.49Å
419N91.6Very high83Confident27 Ų2747.6 Ų47.614%0.14424%0.239CC..THydrogen-bonded Turntrans63.526.7-178.8-167.356.2000113.5L100 M111 V112 K115 H117 M415 E416L100-N419 HydrophobicContact CD2-CB 4.35Å; M111-N419 CarbonylContact C-O 3.53Å; M111-N419 VanDerWaalsContact CA-O 3.24Å; M111-N419 WeakPolarHBondContact CA-O 3.39Å; M111-N419 VanDerWaalsContact CB-O 3.3Å; M111-N419 WeakPolarHBondContact CB-O 3.37Å; V112-N419 PolarHBondContact N-O 2.95Å; V112-N419 PolarHBondContact O-ND2 2.97Å; K115-N419 PolarHBondContact O-ND2 3.37Å; H117-N419 HydrophobicContact CB-CB 4.28Å; M415-N419 PolarHBondContact O-N 2.77Å; E416-N419 PolarHBondContact O-N 2.98Å
420F92.1Very high84.2Confident11 Ų1147 Ų475%0.04824%0.237CC..BIsolated β-bridgetrans-69.3151.4167.8-76-75.5000111.4E110 M111 M415 E418 V424 M533E110-F420 HydrophobicContact CB-CD1 3.99Å; E110-F420 HydrophobicContact CB-CE1 4.23Å; M111-F420 HydrophobicContact CE-CE1 3.91Å; M111-F420 HydrophobicContact CE-CE2 3.94Å; M111-F420 HydrophobicContact CE-CZ 3.54Å; M111-F420 HydrophobicContact CG-CD1 3.82Å; M111-F420 HydrophobicContact CG-CE1 3.89Å; M111-F420 HydrophobicContact CG-CG 4.29Å; M111-F420 HydrophobicContact CG-CZ 4.41Å; M415-F420 HydrophobicContact CB-CB 3.93Å; M415-F420 HydrophobicContact CE-CD2 4.39Å; M415-F420 HydrophobicContact CG-CB 4.47Å; M415-F420 WeakPolarHBondContact O-CB 3.09Å; M415-F420 PolarHBondContact O-N 2.73Å; M415-F420 HydrophobicContact SD-CB 3.92Å; M415-F420 HydrophobicContact SD-CD2 3.73Å; M415-F420 HydrophobicContact SD-CE2 4.42Å; M415-F420 HydrophobicContact SD-CG 3.85Å; E418-F420 VanDerWaalsContact C-N 3.25Å; E418-F420 HydrophobicContact CB-CD2 3.69Å; E418-F420 HydrophobicContact CB-CE2 3.8Å; E418-F420 PolarHBondContact O-N 2.72Å; E418-F420 WeakPolarHBondContact OE2-CE2 3.49Å; F420-V424 HydrophobicContact CB-CB 4.34Å; F420-V424 HydrophobicContact CB-CG2 4.17Å; F420-V424 HydrophobicContact CD1-CG1 4.38Å; F420-V424 HydrophobicContact CD1-CG2 4.13Å; F420-M533 HydrophobicContact CD1-CE 4.29Å; F420-M533 HydrophobicContact CE1-CE 3.65Å; F420-M533 HydrophobicContact CE1-SD 3.88Å; F420-M533 HydrophobicContact CE2-CE 4.4Å; F420-M533 HydrophobicContact CZ-CE 3.72Å; F420-M533 HydrophobicContact CZ-SD 4.43Å
421R92.7Very high84.9Confident82 Ų8252.2 Ų52.231%0.30926%0.26SS..  trans-67.1147.5172-63.6171.8-166.5178.44.8110.1L109 E110 M111 V112 H114 E423 V424L109-R421 PolarHBondContact O-NH2 3.29Å; E110-R421 VanDerWaalsContact O-CG 3.29Å; E110-R421 WeakPolarHBondContact O-CG 3.4Å; E110-R421 PolarHBondContact O-N 2.86Å; M111-R421 PolarHBondContact O-NE 3.19Å; V112-R421 HydrophobicContact CG2-CG 4.11Å; H114-R421 PolarHBondContact CD2-NH2 3.18Å; H114-R421 VanDerWaalsContact CD2-NH2 3.25Å; H114-R421 PolarHBondContact NE2-NH2 2.92Å; R421-E423 WeakPolarHBondContact CB-OE2 3.36Å; R421-E423 PolarHBondContact O-N 2.85Å; R421-E423 VanDerWaalsContact O-N 3.1Å; R421-V424 HydrophobicContact CB-CG2 4.37Å; R421-V424 WeakPolarHBondContact O-CB 3.17Å; R421-V424 WeakPolarHBondContact O-CG2 3.38Å; R421-V424 PolarHBondContact O-N 2.92Å
422A88.5Confident85.1Confident72 Ų7253 Ų5360%0.59527%0.27SS*.THydrogen-bonded Turntrans-58.8-27.5-179.100000112.8V424 E425A422-V424 PolarHBondContact O-N 3.29Å; A422-E425 WeakPolarHBondContact O-CB 3.39Å; A422-E425 PolarHBondContact O-N 2.8Å
423E90Very high84.9Confident112 Ų11252.1 Ų52.152%0.52327%0.271SS..Hα-helixtrans-64-25.7177.7-6676.3-169.700113.3R421 E425 K426 M427R421-E423 WeakPolarHBondContact CB-OE2 3.36Å; R421-E423 PolarHBondContact O-N 2.85Å; R421-E423 VanDerWaalsContact O-N 3.1Å; E423-E425 VanDerWaalsContact C-N 3.25Å; E423-E425 PolarHBondContact O-N 3.42Å; E423-K426 WeakPolarHBondContact O-CB 3.45Å; E423-K426 PolarHBondContact O-N 3.41Å; E423-K426 VanDerWaalsContact O-N 3.08Å; E423-M427 HydrophobicContact CB-CE 4.1Å; E423-M427 WeakPolarHBondContact O-CG 3.14Å; E423-M427 PolarHBondContact O-N 3.49Å; E423-M427 VanDerWaalsContact O-N 3.11Å
424V88.6Confident84.8Confident0 Ų049.5 Ų49.50%026%0.262CS..Hα-helixtrans-63.1-34.1-179.6-176.80000111.4E110 M415 F420 R421 A422 K426 M427 L428 M533E110-V424 HydrophobicContact CB-CG2 3.68Å; E110-V424 HydrophobicContact CG-CG2 4.34Å; M415-V424 HydrophobicContact SD-CB 4.07Å; M415-V424 HydrophobicContact SD-CG1 3.5Å; M415-V424 WeakPolarHBondContact SD-CG1 3.42Å; F420-V424 HydrophobicContact CB-CB 4.34Å; F420-V424 HydrophobicContact CB-CG2 4.17Å; F420-V424 HydrophobicContact CD1-CG1 4.38Å; F420-V424 HydrophobicContact CD1-CG2 4.13Å; R421-V424 HydrophobicContact CB-CG2 4.37Å; R421-V424 WeakPolarHBondContact O-CB 3.17Å; R421-V424 WeakPolarHBondContact O-CG2 3.38Å; R421-V424 PolarHBondContact O-N 2.92Å; A422-V424 PolarHBondContact O-N 3.29Å; V424-K426 VanDerWaalsContact C-N 3.3Å; V424-K426 PolarHBondContact O-N 2.72Å; V424-M427 WeakPolarHBondContact O-CB 3.47Å; V424-M427 PolarHBondContact O-N 3.4Å; V424-M427 VanDerWaalsContact O-N 3.1Å; V424-L428 HydrophobicContact CG1-CD1 4.17Å; V424-L428 PolarHBondContact O-N 2.71Å; V424-M533 HydrophobicContact CG1-CE 3.91Å; V424-M533 HydrophobicContact CG1-SD 4.26Å
425E85.1Confident84.3Confident29 Ų2954 Ų5414%0.13628%0.282CS..Hα-helixtrans-54.5-48.3172.8-175.3-167.4162.300110.6I411 K412 A422 E423 M427 L428 D429 Q435I411-E425 HydrophobicContact CG2-CG 4.08Å; K412-E425 HydrophobicContact CB-CG 4.48Å; K412-E425 WeakPolarHBondContact CB-OE2 3.39Å; K412-E425 WeakPolarHBondContact CG-OE2 3.41Å; A422-E425 WeakPolarHBondContact O-CB 3.39Å; A422-E425 PolarHBondContact O-N 2.8Å; E423-E425 VanDerWaalsContact C-N 3.25Å; E423-E425 PolarHBondContact O-N 3.42Å; E425-M427 VanDerWaalsContact C-N 3.3Å; E425-M427 PolarHBondContact O-N 3.42Å; E425-L428 PolarHBondContact O-N 2.66Å; E425-D429 PolarHBondContact O-N 3.04Å; E425-Q435 PolarHBondContact OE1-NE2 2.83Å
426K86.6Confident83.2Confident157 Ų15761.5 Ų61.568%0.68332%0.322SS*.Hα-helixtrans-69.4-27.8179.2-64.2-179.8179.5175.30112.7E423 V424 L428 P430E423-K426 WeakPolarHBondContact O-CB 3.45Å; E423-K426 PolarHBondContact O-N 3.41Å; E423-K426 VanDerWaalsContact O-N 3.08Å; V424-K426 VanDerWaalsContact C-N 3.3Å; V424-K426 PolarHBondContact O-N 2.72Å; K426-L428 VanDerWaalsContact C-N 3.34Å; K426-P430 VanDerWaalsContact O-CA 3.29Å; K426-P430 WeakPolarHBondContact O-CA 3.45Å
427M89.5Confident82.3Confident28 Ų2859.9 Ų59.914%0.13832%0.318CS..Hα-helixtrans-69.7-34.6174.9-62.8177.3-165.100111.7E423 V424 E425 P509 N510 I511 P512E423-M427 HydrophobicContact CB-CE 4.1Å; E423-M427 WeakPolarHBondContact O-CG 3.14Å; E423-M427 PolarHBondContact O-N 3.49Å; E423-M427 VanDerWaalsContact O-N 3.11Å; V424-M427 WeakPolarHBondContact O-CB 3.47Å; V424-M427 PolarHBondContact O-N 3.4Å; V424-M427 VanDerWaalsContact O-N 3.1Å; E425-M427 VanDerWaalsContact C-N 3.3Å; E425-M427 PolarHBondContact O-N 3.42Å; M427-P509 HydrophobicContact CB-CB 3.99Å; M427-P509 WeakPolarHBondContact O-CA 3.49Å; M427-N510 PolarHBondContact O-N 2.86Å; M427-I511 HydrophobicContact SD-CG1 4.35Å; M427-P512 HydrophobicContact CE-CG 4.39Å
428L85.7Confident81.6Confident14 Ų1460.1 Ų60.17%0.07332%0.32CS..Hα-helixtrans-83.5-40.1179-73.8170.5000112.9P346 I411 M415 V424 E425 K426 P509P346-L428 HydrophobicContact CG-CD2 4.1Å; I411-L428 HydrophobicContact CG2-CD1 4.27Å; M415-L428 HydrophobicContact CE-CD1 3.81Å; M415-L428 HydrophobicContact SD-CD1 3.99Å; V424-L428 HydrophobicContact CG1-CD1 4.17Å; V424-L428 PolarHBondContact O-N 2.71Å; E425-L428 PolarHBondContact O-N 2.66Å; K426-L428 VanDerWaalsContact C-N 3.34Å; L428-P509 HydrophobicContact CD2-CB 3.63Å; L428-P509 HydrophobicContact CD2-CG 3.95Å; L428-P509 HydrophobicContact CG-CB 4.03Å
429D84.7Confident81.3Confident12 Ų1258.7 Ų58.76%0.06431%0.314CS..  trans-131.767.9-175.1-170.321.2000112I411 E425 N431 G432 D433 L434 Q435I411-D429 HydrophobicContact CD1-CB 4.19Å; E425-D429 PolarHBondContact O-N 3.04Å; D429-N431 PolarHBondContact O-N 3.34Å; D429-N431 VanDerWaalsContact O-N 3.14Å; D429-G432 PolarHBondContact O-N 3.26Å; D429-G432 VanDerWaalsContact O-N 3.15Å; D429-G432 PolarHBondContact OD1-N 2.87Å; D429-G432 WeakPolarHBondContact OD2-CA 3.16Å; D429-D433 PolarHBondContact OD1-N 3.1Å; D429-D433 PolarHBondContact OD2-N 3.02Å; D429-L434 HydrophobicContact CB-CB 4.23Å; D429-L434 HydrophobicContact CB-CD1 4.06Å; D429-L434 HydrophobicContact CB-CG 4.3Å; D429-L434 VanDerWaalsContact CG-N 3.35Å; D429-L434 PolarHBondContact OD1-N 3.08Å; D429-L434 VanDerWaalsContact OD2-CA 3.32Å; D429-L434 WeakPolarHBondContact OD2-CA 3.42Å; D429-L434 VanDerWaalsContact OD2-CB 3.28Å; D429-L434 WeakPolarHBondContact OD2-CB 3.42Å; D429-L434 PolarHBondContact OD2-N 3.11Å; D429-Q435 PolarHBondContact OD2-N 3.42Å; D429-Q435 VanDerWaalsContact OD2-N 3.16Å
430P83.7Confident81Confident84 Ų8457.5 Ų57.555%0.54531%0.307SS..THydrogen-bonded Turntrans-62.2-24.8-174.424.2-34.7000113.8K426K426-P430 VanDerWaalsContact O-CA 3.29Å; K426-P430 WeakPolarHBondContact O-CA 3.45Å
431N82.9Confident80.9Confident127 Ų12757.4 Ų57.468%0.67931%0.307SS*.THydrogen-bonded Turntrans-97.1-8-178.6-62.2-28.5000113.3D429 D433D429-N431 PolarHBondContact O-N 3.34Å; D429-N431 VanDerWaalsContact O-N 3.14Å; N431-D433 VanDerWaalsContact C-N 3.27Å; N431-D433 WeakPolarHBondContact CB-OD2 3.29Å; N431-D433 PolarHBondContact ND2-OD2 3.47Å
432G80Confident81Confident24 Ų2453.5 Ų53.525%0.24729%0.292CS..SBendtrans71.320.2-171.900000113.7D429 L434 Q435D429-G432 PolarHBondContact O-N 3.26Å; D429-G432 VanDerWaalsContact O-N 3.15Å; D429-G432 PolarHBondContact OD1-N 2.87Å; D429-G432 WeakPolarHBondContact OD2-CA 3.16Å; G432-L434 PolarHBondContact O-N 3.17Å; G432-Q435 WeakPolarHBondContact O-CB 3.39Å; G432-Q435 PolarHBondContact O-N 2.79Å
433D73.9Confident81.3Confident96 Ų9650.5 Ų50.551%0.51327%0.266SS..SBendtrans-68.9-22.3-177.2-71.9-35.2000112.5D429 N431D429-D433 PolarHBondContact OD1-N 3.1Å; D429-D433 PolarHBondContact OD2-N 3.02Å; N431-D433 VanDerWaalsContact C-N 3.27Å; N431-D433 WeakPolarHBondContact CB-OD2 3.29Å; N431-D433 PolarHBondContact ND2-OD2 3.47Å
434L74Confident81.7Confident9 Ų945.1 Ų45.15%0.04724%0.241CC..SBendtrans-100.2-11.8-179.8-52.3173.3000111.7I411 D429 G432 N436 T437 L507I411-L434 HydrophobicContact CD1-CB 3.43Å; I411-L434 VanDerWaalsContact CD1-CB 3.43Å; I411-L434 HydrophobicContact CD1-CD1 3.46Å; I411-L434 VanDerWaalsContact CD1-CD1 3.46Å; I411-L434 HydrophobicContact CD1-CG 4.07Å; I411-L434 HydrophobicContact CG1-CB 4.41Å; D429-L434 HydrophobicContact CB-CB 4.23Å; D429-L434 HydrophobicContact CB-CD1 4.06Å; D429-L434 HydrophobicContact CB-CG 4.3Å; D429-L434 VanDerWaalsContact CG-N 3.35Å; D429-L434 PolarHBondContact OD1-N 3.08Å; D429-L434 VanDerWaalsContact OD2-CA 3.32Å; D429-L434 WeakPolarHBondContact OD2-CA 3.42Å; D429-L434 VanDerWaalsContact OD2-CB 3.28Å; D429-L434 WeakPolarHBondContact OD2-CB 3.42Å; D429-L434 PolarHBondContact OD2-N 3.11Å; G432-L434 PolarHBondContact O-N 3.17Å; L434-N436 PolarHBondContact O-N 2.88Å; L434-N436 VanDerWaalsContact O-N 3.07Å; L434-T437 PolarHBondContact O-N 3.4Å; L434-L507 HydrophobicContact CD1-CD1 3.43Å; L434-L507 VanDerWaalsContact CD1-CD1 3.43Å; L434-L507 HydrophobicContact CD2-CD1 4.12Å; L434-L507 HydrophobicContact CG-CD1 4.43Å
435Q66.2Low82.2Confident107 Ų10745.3 Ų45.350%0.524%0.243SC..THydrogen-bonded Turntrans-58.6115.1171.7-68.9-173.6-10.200109.5E425 D429 G432 T437E425-Q435 PolarHBondContact OE1-NE2 2.83Å; D429-Q435 PolarHBondContact OD2-N 3.42Å; D429-Q435 VanDerWaalsContact OD2-N 3.16Å; G432-Q435 WeakPolarHBondContact O-CB 3.39Å; G432-Q435 PolarHBondContact O-N 2.79Å; Q435-T437 VanDerWaalsContact C-N 3.34Å
436N62.3Low82.8Confident163 Ų16344 Ų4487%0.87224%0.236SC*.THydrogen-bonded Turntrans70.714.5-174.9-41.7-61.7000116.3L434L434-N436 PolarHBondContact O-N 2.88Å; L434-N436 VanDerWaalsContact O-N 3.07Å
437T64.4Low83.3Confident48 Ų4836.5 Ų36.529%0.29420%0.204SC..  trans-108.1121.5169.5-60.70000109L434 Q435 F439L434-T437 PolarHBondContact O-N 3.4Å; Q435-T437 VanDerWaalsContact C-N 3.34Å; T437-F439 PolarHBondContact O-N 3.02Å
438V65.6Low83.6Confident24 Ų2437 Ų3715%0.14521%0.206CC..  trans-66.6134.9169.3-171.20000107.7V358 I361V358-V438 HydrophobicContact CG1-CB 3.38Å; V358-V438 HydrophobicContact CG1-CG1 3.45Å; V358-V438 VanDerWaalsContact CG1-CG1 3.45Å; V358-V438 WeakPolarHBondContact CG1-O 3.3Å; V358-V438 WeakPolarHBondContact O-CB 3.4Å; I361-V438 HydrophobicContact CD1-CG1 4.1Å
439F78.9Confident84.1Confident7 Ų736.8 Ų36.83%0.03121%0.205CC..  trans-129.7175178.361.9-78.3000109.1P346 A406 I411 M414 T437P346-F439 HydrophobicContact CB-CD2 4.05Å; P346-F439 HydrophobicContact CB-CE2 3.67Å; P346-F439 HydrophobicContact CG-CE2 4.27Å; A406-F439 HydrophobicContact CB-CD1 3.87Å; A406-F439 HydrophobicContact CB-CD2 3.61Å; A406-F439 HydrophobicContact CB-CE1 3.48Å; A406-F439 VanDerWaalsContact CB-CE1 3.48Å; A406-F439 HydrophobicContact CB-CE2 3.21Å; A406-F439 HydrophobicContact CB-CG 3.9Å; A406-F439 HydrophobicContact CB-CZ 3.13Å; A406-F439 WeakPolarHBondContact CB-O 3.35Å; A406-F439 PolarHBondContact N-O 2.87Å; I411-F439 HydrophobicContact CD1-CD1 4.49Å; I411-F439 HydrophobicContact CD1-CE1 3.81Å; I411-F439 HydrophobicContact CD1-CZ 3.99Å; I411-F439 HydrophobicContact CG1-CD1 4.28Å; I411-F439 HydrophobicContact CG1-CE1 3.25Å; I411-F439 HydrophobicContact CG1-CZ 3.49Å; I411-F439 VanDerWaalsContact CG1-CZ 3.49Å; M414-F439 HydrophobicContact CE-CZ 4.1Å; M414-F439 HydrophobicContact SD-CZ 4.31Å; T437-F439 PolarHBondContact O-N 3.02Å
440L86.4Confident84.7Confident1 Ų139.9 Ų39.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-99.9161.6176.3-59.1177.4000109.6L199 L347 V349 V358 I384 L403 K404L199-L440 HydrophobicContact CD1-CD2 4.27Å; L199-L440 HydrophobicContact CD2-CD1 3.85Å; L347-L440 CarbonylContact C-O 3.53Å; L347-L440 WeakPolarHBondContact CA-O 3.12Å; L347-L440 HydrophobicContact CB-CB 4.15Å; L347-L440 WeakPolarHBondContact CB-O 2.83Å; L347-L440 HydrophobicContact CD2-CB 4.18Å; L347-L440 HydrophobicContact CD2-CD1 4.34Å; L347-L440 HydrophobicContact CG-CB 4.47Å; L347-L440 PolarHBondContact N-O 3.21Å; L347-L440 PolarHBondContact O-N 3.35Å; V349-L440 HydrophobicContact CG1-CD1 3.85Å; V349-L440 HydrophobicContact CG2-CD1 4.32Å; V358-L440 HydrophobicContact CG2-CD2 4.12Å; I384-L440 HydrophobicContact CD1-CD2 3.73Å; L403-L440 HydrophobicContact CD1-CB 4.12Å; L403-L440 HydrophobicContact CD1-CD1 4.24Å; K404-L440 CarbonylContact O-C 3.43Å; K404-L440 WeakPolarHBondContact O-CA 3.3Å
441E89.6Confident85.4Confident9 Ų936.2 Ų36.24%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-135.6148.516962.6178-176.600110Q344 L345 L403 K404 V443Q344-E441 PolarHBondContact OE1-OE2 2.97Å; L345-E441 WeakPolarHBondContact O-CA 3.4Å; L403-E441 WeakPolarHBondContact CA-O 3.43Å; K404-E441 HydrophobicContact CB-CG 3.82Å; K404-E441 PolarHBondContact N-O 3.19Å; K404-E441 PolarHBondContact O-N 3.46Å; E441-V443 HydrophobicContact CG-CG2 4.47Å
442I94.6Very high86.1Confident0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-110.1112.3167-62.6174000107.9W203 L345 L347 L401 E402 L403 V444 V490 I494W203-I442 HydrophobicContact CZ3-CD1 4.19Å; W203-I442 HydrophobicContact CZ3-CG1 4.43Å; L345-I442 WeakPolarHBondContact CB-O 3.42Å; L345-I442 PolarHBondContact N-O 3.33Å; L345-I442 PolarHBondContact O-N 3.49Å; L347-I442 HydrophobicContact CD2-CD1 4.21Å; L347-I442 HydrophobicContact CD2-CG1 4.46Å; L401-I442 HydrophobicContact CB-CG2 4.33Å; L401-I442 HydrophobicContact CD2-CG2 4.37Å; E402-I442 CarbonylContact O-C 3.57Å; E402-I442 VanDerWaalsContact O-CA 3.3Å; E402-I442 WeakPolarHBondContact O-CA 3.37Å; L403-I442 HydrophobicContact CD1-CD1 4.45Å; L403-I442 HydrophobicContact CD1-CG1 3.78Å; I442-V444 HydrophobicContact CG2-CG2 4.4Å; I442-V490 HydrophobicContact CB-CG1 4.29Å; I442-V490 HydrophobicContact CD1-CG1 3.67Å; I442-V490 HydrophobicContact CG2-CG1 4.2Å; I442-V490 HydrophobicContact CG2-CG2 3.74Å; I442-I494 HydrophobicContact CD1-CD1 3.89Å
443V95.3Very high86.9Confident9 Ų932.6 Ų32.66%0.05517%0.169CC..EExtended strand (participates in β ladder)trans-83121173.1-1710000108.2Q344 L401 E402 K404 E441Q344-V443 HydrophobicContact CG-CG1 4.33Å; Q344-V443 HydrophobicContact CG-CG2 4.23Å; L401-V443 VanDerWaalsContact CA-O 3.28Å; L401-V443 WeakPolarHBondContact CA-O 3.35Å; E402-V443 HydrophobicContact CB-CB 4.27Å; E402-V443 PolarHBondContact N-O 2.88Å; E402-V443 PolarHBondContact O-N 2.92Å; K404-V443 HydrophobicContact CD-CG2 3.98Å; E441-V443 HydrophobicContact CG-CG2 4.47Å
444V98.2Very high88.1Confident0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-102.8108.4176.5-174.30000108.6S342 V343 L345 I399 L401 I442 L483 V490S342-V444 CarbonylContact C-O 3.56Å; S342-V444 VanDerWaalsContact CA-O 3.28Å; S342-V444 WeakPolarHBondContact CA-O 3.27Å; V343-V444 PolarHBondContact N-O 3.46Å; V343-V444 PolarHBondContact O-N 3.49Å; L345-V444 HydrophobicContact CD1-CG2 3.76Å; L345-V444 HydrophobicContact CG-CG2 4.26Å; I399-V444 HydrophobicContact CG2-CG1 4Å; L401-V444 HydrophobicContact CD2-CB 4.14Å; L401-V444 HydrophobicContact CD2-CG1 3.95Å; L401-V444 HydrophobicContact CD2-CG2 3.84Å; I442-V444 HydrophobicContact CG2-CG2 4.4Å; V444-L483 HydrophobicContact CG1-CD2 4.38Å; V444-V490 HydrophobicContact CG2-CG2 3.7Å
445T98.2Very high89.2Confident4 Ų429.1 Ų29.13%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-111.6126-175.9-56.10000111.7R340 V341 S342 I399 M400 L447R340-T445 HydrophobicContact CB-CG2 3.77Å; R340-T445 HydrophobicContact CG-CG2 4.29Å; V341-T445 CarbonylContact O-C 3.55Å; V341-T445 WeakPolarHBondContact O-CA 3.48Å; S342-T445 WeakPolarHBondContact OG-CG2 3.2Å; S342-T445 PolarHBondContact OG-OG1 3.44Å; I399-T445 WeakPolarHBondContact CA-O 3.38Å; M400-T445 PolarHBondContact N-O 2.99Å; M400-T445 PolarHBondContact O-N 3.34Å; T445-L447 PolarHBondContact O-N 2.73Å
446L98.3Very high90.6Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-77.1114.7167.6178.260.5000110R340 V341 I399 P449 D479 K482 L483R340-L446 WeakPolarHBondContact CB-O 3.44Å; V341-L446 PolarHBondContact O-N 2.9Å; I399-L446 HydrophobicContact CD1-CB 4.42Å; I399-L446 HydrophobicContact CD1-CD1 4.12Å; L446-P449 HydrophobicContact CD2-CB 3.97Å; L446-P449 HydrophobicContact CG-CB 4.39Å; L446-D479 HydrophobicContact CD2-CB 3.58Å; L446-K482 HydrophobicContact CD1-CB 3.88Å; L446-K482 HydrophobicContact CD1-CD 3.83Å; L446-L483 HydrophobicContact CB-CD1 4.45Å; L446-L483 HydrophobicContact CB-CD2 3.73Å; L446-L483 HydrophobicContact CB-CG 3.9Å; L446-L483 HydrophobicContact CD2-CG 4.39Å
447L97.1Very high92.3Very high0 Ų020.7 Ų20.70%010%0.103CC..SBendtrans-75.7-35.8-174.2-66.4175.7000112.9M388 P397 D398 M400 T445 T573 T575M388-L447 HydrophobicContact SD-CD1 4.01Å; P397-L447 HydrophobicContact CB-CD1 4.08Å; D398-L447 WeakPolarHBondContact O-CB 3.41Å; D398-L447 PolarHBondContact O-N 3.25Å; M400-L447 HydrophobicContact CB-CD1 4.14Å; M400-L447 HydrophobicContact CB-CD2 3.7Å; M400-L447 HydrophobicContact CB-CG 4.05Å; M400-L447 HydrophobicContact SD-CD2 4.37Å; T445-L447 PolarHBondContact O-N 2.73Å; L447-T573 WeakPolarHBondContact O-CB 3.3Å; L447-T573 PolarHBondContact O-OG1 3.23Å; L447-T575 HydrophobicContact CD1-CG2 3.93Å
448H95.6Very high93.6Very high39 Ų3925 Ų2518%0.18112%0.115CC..SBendtrans-128.575-174.7-51129000111.3P397 T575P397-H448 PolarHBondContact O-CE1 2.96Å; P397-H448 VanDerWaalsContact O-CE1 3.27Å; H448-T575 PolarHBondContact CE1-OG1 3.16Å; H448-T575 PolarHBondContact NE2-OG1 3.37Å
449P97.1Very high94.9Very high9 Ų927.9 Ų27.96%0.05812%0.123CC..  trans-69145.1177.419.4-18.6000112.2D339 V341 L446 D479D339-P449 WeakPolarHBondContact O-CG 2.86Å; V341-P449 HydrophobicContact CG2-CB 4.38Å; L446-P449 HydrophobicContact CD2-CB 3.97Å; L446-P449 HydrophobicContact CG-CB 4.39Å; P449-D479 WeakPolarHBondContact CA-OD1 3.43Å
450M97.2Very high95.5Very high77 Ų7733.2 Ų33.238%0.37915%0.148SC..  trans-86.4-29.6174.7-60.7-67.2163.200111.4Q452 D476 R478 D479M450-Q452 PolarHBondContact O-N 3.44Å; M450-D476 HydrophobicContact CB-CB 3.92Å; M450-R478 HydrophobicContact CG-CB 4.34Å; M450-D479 WeakPolarHBondContact CB-OD1 3.37Å; M450-D479 PolarHBondContact N-OD1 2.95Å; M450-D479 PolarHBondContact N-OD2 2.95Å
451S97.7Very high95.6Very high7 Ų736.4 Ų36.45%0.04917%0.168CC..  trans-57.9123.6173.1-60.60000109.7Y338 S472 L474 T475 D476 D479Y338-S451 WeakPolarHBondContact CD1-O 3.3Å; S451-S472 VanDerWaalsContact CB-O 3.3Å; S451-S472 WeakPolarHBondContact CB-O 3.28Å; S451-L474 PolarHBondContact OG-N 2.93Å; S451-T475 PolarHBondContact OG-N 2.67Å; S451-T475 VanDerWaalsContact OG-N 3.17Å; S451-T475 PolarHBondContact OG-OG1 2.67Å; S451-D476 PolarHBondContact OG-N 2.67Å; S451-D476 VanDerWaalsContact OG-N 3.08Å; S451-D479 WeakPolarHBondContact CB-OD2 3.49Å; S451-D479 PolarHBondContact N-OD2 2.88Å; S451-D479 PolarHBondContact OG-OD2 3.34Å
452Q97.5Very high95.3Very high75 Ų7543.2 Ų43.235%0.3520%0.199SC..  trans-114.9124.9-179.8-171.7-161.3-84.200109.2R336 Y338 M450R336-Q452 HydrophobicContact CB-CG 4.31Å; Y338-Q452 HydrophobicContact CD1-CB 4.46Å; Y338-Q452 HydrophobicContact CE1-CB 3.72Å; Y338-Q452 HydrophobicContact CE1-CG 3.89Å; Y338-Q452 HydrophobicContact CE2-CG 4.02Å; Y338-Q452 PolarHBondContact OH-OE1 3.09Å; M450-Q452 PolarHBondContact O-N 3.44Å
453G97.6Very high94.7Very high0 Ų051 Ų510%023%0.233CC..BIsolated β-bridgetrans-93.9-171.9176.300000114.7R336 M337 N470 P471R336-G453 CarbonylContact C-O 3.56Å; R336-G453 WeakPolarHBondContact CA-O 3.32Å; M337-G453 PolarHBondContact N-O 3.45Å; M337-G453 WeakPolarHBondContact O-CA 3.36Å; M337-G453 PolarHBondContact O-N 2.87Å; G453-N470 CarbonylContact C-O 3.5Å; G453-N470 WeakPolarHBondContact CA-O 3.21Å; G453-P471 WeakPolarHBondContact CA-O 3.46Å; G453-P471 PolarHBondContact N-O 2.61Å
454T97.9Very high94.3Very high33 Ų3354.5 Ų54.520%0.20225%0.249CC..EExtended strand (participates in β ladder)trans-140.5151174.860.40000110.4G334 W456 N470G334-T454 CarbonylContact O-C 3.23Å; G334-T454 WeakPolarHBondContact O-CA 3.25Å; T454-W456 PolarHBondContact OG1-NE1 2.78Å; T454-N470 PolarHBondContact N-O 3.19Å; T454-N470 PolarHBondContact O-N 2.98Å
455M97Very high94.1Very high0 Ų055.5 Ų55.50%025%0.253CS..EExtended strand (participates in β ladder)trans-117.9124164-172.9-82.2-10000109.4I303 A306 K307 G334 M337 L457 P467 R468 M469 T543I303-M455 HydrophobicContact CG2-CE 4.27Å; I303-M455 WeakPolarHBondContact O-CE 3.48Å; A306-M455 HydrophobicContact CB-CE 3.31Å; K307-M455 HydrophobicContact CB-CE 4.35Å; G334-M455 CarbonylContact C-O 3.59Å; G334-M455 VanDerWaalsContact CA-O 3.3Å; G334-M455 WeakPolarHBondContact CA-O 3.07Å; G334-M455 PolarHBondContact O-N 3.14Å; M337-M455 HydrophobicContact CE-CB 4.15Å; M337-M455 HydrophobicContact SD-CB 4.28Å; M455-L457 HydrophobicContact CE-CD2 4.44Å; M455-L457 HydrophobicContact SD-CD2 4.01Å; M455-P467 HydrophobicContact CE-CB 4.4Å; M455-P467 HydrophobicContact CG-CB 4.47Å; M455-P467 HydrophobicContact SD-CB 4.09Å; M455-R468 WeakPolarHBondContact CA-O 3.32Å; M455-M469 HydrophobicContact CG-CG 4.07Å; M455-M469 HydrophobicContact CG-SD 4.13Å; M455-T543 HydrophobicContact CB-CG2 4.27Å
456W96.7Very high94Very high87 Ų8757.4 Ų57.433%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-118.9152.8176.1-63.4110.4000110.1P316 H319 V335 T454 P467 R468P316-W456 HydrophobicContact CB-CZ3 4.34Å; P316-W456 HydrophobicContact CG-CH2 4.09Å; P316-W456 HydrophobicContact CG-CZ3 3.87Å; H319-W456 HydrophobicContact CB-CE3 4.13Å; H319-W456 HydrophobicContact CB-CZ3 3.68Å; H319-W456 AromaticContact CD2-CE3 3.8Å; H319-W456 AromaticContact CE1-CE3 3.5Å; H319-W456 AromaticContact CG-CE3 3.49Å; H319-W456 VanDerWaalsContact CG-CE3 3.49Å; H319-W456 AromaticContact CG-CZ3 3.57Å; H319-W456 AromaticContact ND1-CE3 3.32Å; H319-W456 VanDerWaalsContact ND1-CE3 3.32Å; H319-W456 AromaticContact ND1-CZ3 3.58Å; H319-W456 AromaticContact NE2-CE3 3.78Å; V335-W456 HydrophobicContact CG2-CH2 4.15Å; T454-W456 PolarHBondContact OG1-NE1 2.78Å; W456-P467 CarbonylContact O-C 3.52Å; W456-P467 WeakPolarHBondContact O-CA 3.45Å; W456-R468 PolarHBondContact N-O 3.28Å; W456-R468 PolarHBondContact O-N 3.37Å
457L96.6Very high93.9Very high5 Ų557.8 Ų57.83%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-93.3146164.9-60.6-171000110.1K307 I310 Q311 H319 L323 M455 F465 V466 P467K307-L457 HydrophobicContact CB-CD2 4.04Å; K307-L457 HydrophobicContact CG-CD1 4.26Å; K307-L457 HydrophobicContact CG-CD2 3.95Å; I310-L457 HydrophobicContact CB-CD1 3.71Å; I310-L457 HydrophobicContact CB-CG 4.2Å; I310-L457 HydrophobicContact CD1-CG 4.08Å; I310-L457 HydrophobicContact CG2-CB 4.37Å; I310-L457 HydrophobicContact CG2-CD1 3.61Å; I310-L457 HydrophobicContact CG2-CG 4Å; Q311-L457 HydrophobicContact CG-CD1 3.8Å; H319-L457 PolarHBondContact CE1-N 3.23Å; H319-L457 VanDerWaalsContact CE1-N 3.31Å; H319-L457 PolarHBondContact NE2-O 2.58Å; L323-L457 HydrophobicContact CD1-CB 3.91Å; M455-L457 HydrophobicContact CE-CD2 4.44Å; M455-L457 HydrophobicContact SD-CD2 4.01Å; L457-F465 HydrophobicContact CD1-CB 4.06Å; L457-F465 HydrophobicContact CD1-CD1 4.5Å; L457-V466 WeakPolarHBondContact CA-O 3.14Å; L457-P467 HydrophobicContact CD2-CB 3.84Å
458W93.7Very high93.8Very high139 Ų13963.6 Ų63.653%0.52729%0.289SS..EExtended strand (participates in β ladder)trans-115.4133.4166.5-179.3-93.7000108.8Q460 F465 V466W458-Q460 PolarHBondContact O-N 2.77Å; W458-F465 CarbonylContact O-C 3.49Å; W458-F465 WeakPolarHBondContact O-CA 3.46Å; W458-V466 PolarHBondContact N-O 3.46Å; W458-V466 PolarHBondContact O-N 3.08Å
459R92.2Very high93.9Very high84 Ų8461.8 Ų61.832%0.31728%0.281SS..EExtended strand (participates in β ladder)trans-84.9102.6174.5-168173.7-143.1-142.82.2108.8L323 T461 E462 F465L323-R459 HydrophobicContact CD2-CB 3.89Å; L323-R459 WeakPolarHBondContact O-CD 3.31Å; R459-T461 WeakPolarHBondContact CG-O 3.01Å; R459-E462 PolarHBondContact NH2-O 3.46Å; R459-F465 HydrophobicContact CB-CD1 4.14Å; R459-F465 HydrophobicContact CB-CE1 4.02Å; R459-F465 HydrophobicContact CG-CD1 4.24Å; R459-F465 HydrophobicContact CG-CE1 3.86Å; R459-F465 HydrophobicContact CG-CZ 4.25Å
460Q90.1Very high93.9Very high119 Ų11963.7 Ų63.756%0.55629%0.29SS*.EExtended strand (participates in β ladder)trans-81.5-42.2-179.4-178.3170.5-8.800111.4W458 E464 V466W458-Q460 PolarHBondContact O-N 2.77Å; Q460-E464 PolarHBondContact N-O 3.33Å; Q460-V466 HydrophobicContact CB-CG2 4.12Å
461T90.1Very high93.9Very high69 Ų6960.2 Ų60.242%0.42327%0.274SS..EExtended strand (participates in β ladder)trans-135.8176.2172.372.50000109.3R459 K463 E464R459-T461 WeakPolarHBondContact CG-O 3.01Å; T461-K463 PolarHBondContact O-N 3.17Å; T461-K463 VanDerWaalsContact O-N 3.17Å; T461-K463 PolarHBondContact OG1-N 3.44Å; T461-E464 PolarHBondContact N-O 2.97Å; T461-E464 PolarHBondContact O-N 3.11Å; T461-E464 WeakPolarHBondContact OG1-CB 3.21Å; T461-E464 PolarHBondContact OG1-N 3.39Å
462E82.4Confident93.9Very high151 Ų15160.8 Ų60.871%0.70628%0.278SS*.THydrogen-bonded Turntrans-56.8-32.6176.5-166.7-175.8179.500112.8R459R459-E462 PolarHBondContact NH2-O 3.46Å
463K81.5Confident93.9Very high163 Ų16357.4 Ų57.471%0.70926%0.262SS*.THydrogen-bonded Turntrans-106-0.8-175.2-62.8-178.3-177.9176.50114R280 T461R280-K463 PolarHBondContact NH2-O 3.46Å; T461-K463 PolarHBondContact O-N 3.17Å; T461-K463 VanDerWaalsContact O-N 3.17Å; T461-K463 PolarHBondContact OG1-N 3.44Å
464E88.3Confident94Very high84 Ų8457.4 Ų57.439%0.39326%0.262SS..EExtended strand (participates in β ladder)trans-129.5121.3-170.9-169.2175.4-160.200112.3Q460 T461 V466Q460-E464 PolarHBondContact N-O 3.33Å; T461-E464 PolarHBondContact N-O 2.97Å; T461-E464 PolarHBondContact O-N 3.11Å; T461-E464 WeakPolarHBondContact OG1-CB 3.21Å; T461-E464 PolarHBondContact OG1-N 3.39Å; E464-V466 HydrophobicContact CG-CG2 4.34Å
465F93.9Very high93.9Very high21 Ų2159.4 Ų59.49%0.09227%0.274CS..EExtended strand (participates in β ladder)trans-115.5124.8173.7-62.9-94.6000109.1K307 Q311 L323 V325 L457 W458 R459K307-F465 WeakPolarHBondContact CE-O 3.45Å; Q311-F465 HydrophobicContact CG-CB 4.09Å; Q311-F465 HydrophobicContact CG-CD1 4.4Å; Q311-F465 HydrophobicContact CG-CD2 3.74Å; Q311-F465 HydrophobicContact CG-CE2 4.23Å; Q311-F465 HydrophobicContact CG-CG 3.83Å; L323-F465 HydrophobicContact CB-CE1 4.22Å; L323-F465 HydrophobicContact CD2-CD1 4.32Å; L323-F465 HydrophobicContact CD2-CE1 4.37Å; V325-F465 HydrophobicContact CG2-CE1 3.86Å; V325-F465 HydrophobicContact CG2-CZ 3.85Å; L457-F465 HydrophobicContact CD1-CB 4.06Å; L457-F465 HydrophobicContact CD1-CD1 4.5Å; W458-F465 CarbonylContact O-C 3.49Å; W458-F465 WeakPolarHBondContact O-CA 3.46Å; R459-F465 HydrophobicContact CB-CD1 4.14Å; R459-F465 HydrophobicContact CB-CE1 4.02Å; R459-F465 HydrophobicContact CG-CD1 4.24Å; R459-F465 HydrophobicContact CG-CE1 3.86Å; R459-F465 HydrophobicContact CG-CZ 4.25Å
466V94.5Very high94Very high43 Ų4361.4 Ų61.426%0.26129%0.285SS..EExtended strand (participates in β ladder)trans-105.9125.5-178.9-179.90000109.4L457 W458 Q460 E464L457-V466 WeakPolarHBondContact CA-O 3.14Å; W458-V466 PolarHBondContact N-O 3.46Å; W458-V466 PolarHBondContact O-N 3.08Å; Q460-V466 HydrophobicContact CB-CG2 4.12Å; E464-V466 HydrophobicContact CG-CG2 4.34Å
467P96.4Very high94Very high9 Ų960.9 Ų60.96%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-72.8136.8172.932.8-34.6000110.5Y99 I303 M455 W456 L457 M469Y99-P467 HydrophobicContact CD1-CG 4.35Å; Y99-P467 HydrophobicContact CE1-CG 3.59Å; Y99-P467 HydrophobicContact CE2-CG 4.48Å; I303-P467 HydrophobicContact CG2-CB 3.76Å; I303-P467 HydrophobicContact CG2-CG 3.84Å; M455-P467 HydrophobicContact CE-CB 4.4Å; M455-P467 HydrophobicContact CG-CB 4.47Å; M455-P467 HydrophobicContact SD-CB 4.09Å; W456-P467 CarbonylContact O-C 3.52Å; W456-P467 WeakPolarHBondContact O-CA 3.45Å; L457-P467 HydrophobicContact CD2-CB 3.84Å; P467-M469 HydrophobicContact CB-SD 3.76Å; P467-M469 HydrophobicContact CG-SD 4.24Å
468R96.4Very high94Very high122 Ų12266.8 Ų66.846%0.4631%0.309SS..EExtended strand (participates in β ladder)trans-118.7112.1174-70.5-171.2175.1-178.80.8108.3T102 M455 W456T102-R468 HydrophobicContact CG2-CB 4.22Å; M455-R468 WeakPolarHBondContact CA-O 3.32Å; W456-R468 PolarHBondContact N-O 3.28Å; W456-R468 PolarHBondContact O-N 3.37Å
469M97.4Very high94.2Very high1 Ų160.1 Ų60.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-95.9126.4-178.9-67.167.96900109Y99 T101 T102 L118 I303 M337 M455 P467Y99-M469 VanDerWaalsContact CB-CE 3.41Å; Y99-M469 HydrophobicContact CD1-CE 3.82Å; Y99-M469 HydrophobicContact CD2-CE 3.96Å; Y99-M469 HydrophobicContact CG-CE 3.46Å; Y99-M469 VanDerWaalsContact CG-CE 3.46Å; T101-M469 CarbonylContact C-O 3.45Å; T101-M469 WeakPolarHBondContact CA-O 3.3Å; T102-M469 PolarHBondContact N-O 3.34Å; T102-M469 PolarHBondContact OG1-O 3.17Å; L118-M469 HydrophobicContact CD1-CB 3.73Å; L118-M469 HydrophobicContact CD1-CE 3.91Å; L118-M469 HydrophobicContact CD1-CG 3.9Å; I303-M469 HydrophobicContact CD1-CE 3.89Å; I303-M469 HydrophobicContact CD1-CG 3.78Å; I303-M469 HydrophobicContact CD1-SD 3.84Å; I303-M469 HydrophobicContact CG1-CG 4.07Å; I303-M469 HydrophobicContact CG1-SD 4.25Å; I303-M469 HydrophobicContact CG2-SD 4.04Å; M337-M469 HydrophobicContact CE-CG 3.88Å; M337-M469 HydrophobicContact SD-CB 4.26Å; M337-M469 HydrophobicContact SD-CG 4.17Å; M455-M469 HydrophobicContact CG-CG 4.07Å; M455-M469 HydrophobicContact CG-SD 4.13Å; P467-M469 HydrophobicContact CB-SD 3.76Å; P467-M469 HydrophobicContact CG-SD 4.24Å
470N97.6Very high94.4Very high48 Ų4856.1 Ų56.126%0.25727%0.269SS..EExtended strand (participates in β ladder)trans-123.886.1168.7-178.123.4000109.4T102 Q104 G453 T454 S472T102-N470 WeakPolarHBondContact OG1-CA 2.9Å; T102-N470 WeakPolarHBondContact OG1-CB 3.42Å; T102-N470 PolarHBondContact OG1-OD1 2.81Å; Q104-N470 PolarHBondContact NE2-OD1 3.42Å; G453-N470 CarbonylContact C-O 3.5Å; G453-N470 WeakPolarHBondContact CA-O 3.21Å; T454-N470 PolarHBondContact N-O 3.19Å; T454-N470 PolarHBondContact O-N 2.98Å; N470-S472 PolarHBondContact ND2-OG 2.74Å; N470-S472 VanDerWaalsContact ND2-OG 3.11Å; N470-S472 PolarHBondContact O-N 3.13Å; N470-S472 VanDerWaalsContact O-N 3.13Å; N470-S472 PolarHBondContact O-OG 3.42Å; N470-S472 PolarHBondContact OD1-N 3.21Å; N470-S472 PolarHBondContact OD1-OG 3.47Å
471P97.1Very high94.8Very high4 Ų458.3 Ų58.33%0.02627%0.272CS..  trans-61.4-18.4177.5-24.236.3000113.5T101 G453 Y473T101-P471 HydrophobicContact CG2-CG 3.73Å; G453-P471 WeakPolarHBondContact CA-O 3.46Å; G453-P471 PolarHBondContact N-O 2.61Å; P471-Y473 VanDerWaalsContact C-N 3.28Å; P471-Y473 HydrophobicContact CB-CD1 3.71Å; P471-Y473 HydrophobicContact CB-CD2 4.09Å; P471-Y473 HydrophobicContact CB-CE1 3.35Å; P471-Y473 HydrophobicContact CB-CE2 3.73Å; P471-Y473 HydrophobicContact CB-CG 4.07Å; P471-Y473 HydrophobicContact CG-CD2 4.47Å; P471-Y473 HydrophobicContact CG-CE1 4.14Å; P471-Y473 HydrophobicContact CG-CE2 3.79Å; P471-Y473 PolarHBondContact O-N 3.31Å
472S97.4Very high95.1Very high19 Ų1956.2 Ų56.213%0.13326%0.257CS..  trans58.440.4-179.7-57.70000112.3S451 N470 L474 T475S451-S472 VanDerWaalsContact CB-O 3.3Å; S451-S472 WeakPolarHBondContact CB-O 3.28Å; N470-S472 PolarHBondContact ND2-OG 2.74Å; N470-S472 VanDerWaalsContact ND2-OG 3.11Å; N470-S472 PolarHBondContact O-N 3.13Å; N470-S472 VanDerWaalsContact O-N 3.13Å; N470-S472 PolarHBondContact O-OG 3.42Å; N470-S472 PolarHBondContact OD1-N 3.21Å; N470-S472 PolarHBondContact OD1-OG 3.47Å; S472-L474 PolarHBondContact O-N 3.43Å; S472-T475 WeakPolarHBondContact O-CB 3.5Å; S472-T475 VanDerWaalsContact O-CG2 3.24Å; S472-T475 WeakPolarHBondContact O-CG2 3.29Å; S472-T475 PolarHBondContact O-N 2.84Å; S472-T475 PolarHBondContact O-OG1 3.03Å
473Y98.2Very high95.9Very high4 Ų449 Ų492%0.01622%0.223CC..THydrogen-bonded Turntrans-52.6134.9-176.3-64.9-46.9000112T101 Q104 V116 D339 V341 P471 T475 T536T101-Y473 HydrophobicContact CG2-CE2 4.5Å; Q104-Y473 HydrophobicContact CG-CD2 4.09Å; V116-Y473 HydrophobicContact CB-CE2 4.12Å; V116-Y473 HydrophobicContact CG1-CE2 4.21Å; V116-Y473 HydrophobicContact CG2-CD2 3.97Å; V116-Y473 HydrophobicContact CG2-CE2 3.81Å; D339-Y473 HydrophobicContact CB-CE1 4Å; D339-Y473 PolarHBondContact OD2-OH 3.45Å; V341-Y473 HydrophobicContact CB-CD1 4.49Å; V341-Y473 HydrophobicContact CG1-CD1 4.39Å; V341-Y473 HydrophobicContact CG2-CD1 3.44Å; V341-Y473 VanDerWaalsContact CG2-CD1 3.44Å; V341-Y473 HydrophobicContact CG2-CE1 3.87Å; V341-Y473 HydrophobicContact CG2-CG 4.36Å; P471-Y473 VanDerWaalsContact C-N 3.28Å; P471-Y473 HydrophobicContact CB-CD1 3.71Å; P471-Y473 HydrophobicContact CB-CD2 4.09Å; P471-Y473 HydrophobicContact CB-CE1 3.35Å; P471-Y473 HydrophobicContact CB-CE2 3.73Å; P471-Y473 HydrophobicContact CB-CG 4.07Å; P471-Y473 HydrophobicContact CG-CD2 4.47Å; P471-Y473 HydrophobicContact CG-CE1 4.14Å; P471-Y473 HydrophobicContact CG-CE2 3.79Å; P471-Y473 PolarHBondContact O-N 3.31Å; Y473-T475 PolarHBondContact O-N 3.15Å; Y473-T475 VanDerWaalsContact O-N 3.12Å; Y473-T536 WeakPolarHBondContact OH-CB 3.4Å
474L97.8Very high96.6Very high1 Ų142.1 Ų42.11%0.00520%0.196CC..THydrogen-bonded Turntrans5824.1174.8-51.6-175.5000114.9A107 V341 S451 S472 D476 D479 V480 L483 V530 R531 A534A107-L474 HydrophobicContact CB-CB 4.16Å; A107-L474 HydrophobicContact CB-CD1 3.87Å; A107-L474 HydrophobicContact CB-CG 3.95Å; V341-L474 HydrophobicContact CG1-CD2 4.1Å; S451-L474 PolarHBondContact OG-N 2.93Å; S472-L474 PolarHBondContact O-N 3.43Å; L474-D476 VanDerWaalsContact C-N 3.34Å; L474-D479 HydrophobicContact CD2-CB 4.07Å; L474-V480 HydrophobicContact CB-CG2 3.84Å; L474-V480 HydrophobicContact CD1-CG2 4.48Å; L474-V480 HydrophobicContact CD2-CG2 4.18Å; L474-V480 HydrophobicContact CG-CG2 4.39Å; L474-L483 HydrophobicContact CD2-CD1 3.64Å; L474-V530 HydrophobicContact CD1-CG1 3.73Å; L474-V530 HydrophobicContact CD2-CG1 4.41Å; L474-R531 HydrophobicContact CD1-CG 4.41Å; L474-A534 HydrophobicContact CD1-CB 3.65Å; L474-A534 HydrophobicContact CG-CB 4.35Å
475T97.6Very high97.1Very high75 Ų7543 Ų4346%0.4620%0.196SC..  trans-74.3-28.7173.151.10000111.8R106 S451 S472 Y473R106-T475 HydrophobicContact CG-CG2 4.37Å; S451-T475 PolarHBondContact OG-N 2.67Å; S451-T475 VanDerWaalsContact OG-N 3.17Å; S451-T475 PolarHBondContact OG-OG1 2.67Å; S472-T475 WeakPolarHBondContact O-CB 3.5Å; S472-T475 VanDerWaalsContact O-CG2 3.24Å; S472-T475 WeakPolarHBondContact O-CG2 3.29Å; S472-T475 PolarHBondContact O-N 2.84Å; S472-T475 PolarHBondContact O-OG1 3.03Å; Y473-T475 PolarHBondContact O-N 3.15Å; Y473-T475 VanDerWaalsContact O-N 3.12Å
476D97.3Very high97.3Very high41 Ų4142 Ų4222%0.21919%0.192CC..SBendtrans-89.7124168-163.8-54.1000111.1M450 S451 L474 R478 D479M450-D476 HydrophobicContact CB-CB 3.92Å; S451-D476 PolarHBondContact OG-N 2.67Å; S451-D476 VanDerWaalsContact OG-N 3.08Å; L474-D476 VanDerWaalsContact C-N 3.34Å; D476-R478 PolarHBondContact O-N 2.76Å; D476-R478 VanDerWaalsContact O-N 3.16Å; D476-R478 WeakPolarHBondContact OD1-CB 3.31Å; D476-R478 VanDerWaalsContact OD1-CG 3.31Å; D476-R478 WeakPolarHBondContact OD1-CG 3.48Å; D476-R478 IonicContact OD1-CZ 3.57Å; D476-R478 PolarHBondContact OD1-N 2.93Å; D476-R478 IonicContact OD1-NE 3.98Å; D476-R478 PolarHBondContact OD1-NE 2.82Å; D476-R478 IonicContact OD1-NH2 3.22Å; D476-R478 IonicContact OD2-CZ 3.28Å; D476-R478 IonicContact OD2-NE 2.86Å; D476-R478 PolarHBondContact OD2-NE 3.32Å; D476-R478 IonicContact OD2-NH2 2.94Å; D476-R478 PolarHBondContact OD2-NH2 2.85Å; D476-D479 WeakPolarHBondContact O-CB 3.24Å; D476-D479 PolarHBondContact O-N 3.25Å; D476-D479 VanDerWaalsContact O-N 3.09Å
477M96.6Very high97.4Very high76 Ų7640 Ų4037%0.37418%0.18SC..Hα-helixtrans-63-20.9-179.6-73.8-58.4-55.100113.9D479 V480 R481 R531M477-D479 VanDerWaalsContact C-N 3.28Å; M477-D479 PolarHBondContact O-N 3.1Å; M477-V480 HydrophobicContact CE-CB 4.4Å; M477-V480 PolarHBondContact O-N 2.86Å; M477-V480 HydrophobicContact SD-CG2 4.41Å; M477-R481 WeakPolarHBondContact O-CG 3.27Å; M477-R481 PolarHBondContact O-N 2.85Å; M477-R481 VanDerWaalsContact O-N 3.08Å; M477-R531 VanDerWaalsContact CE-NH2 3.28Å; M477-R531 PolarHBondContact SD-NH2 3.04Å
478R97Very high97.4Very high129 Ų12942.5 Ų42.549%0.48719%0.188SC..Hα-helixtrans-65.1-35.1175.3-65.2174-71.9175.3-0111.2M450 D476 R481 K482M450-R478 HydrophobicContact CG-CB 4.34Å; D476-R478 PolarHBondContact O-N 2.76Å; D476-R478 VanDerWaalsContact O-N 3.16Å; D476-R478 WeakPolarHBondContact OD1-CB 3.31Å; D476-R478 VanDerWaalsContact OD1-CG 3.31Å; D476-R478 WeakPolarHBondContact OD1-CG 3.48Å; D476-R478 IonicContact OD1-CZ 3.57Å; D476-R478 PolarHBondContact OD1-N 2.93Å; D476-R478 IonicContact OD1-NE 3.98Å; D476-R478 PolarHBondContact OD1-NE 2.82Å; D476-R478 IonicContact OD1-NH2 3.22Å; D476-R478 IonicContact OD2-CZ 3.28Å; D476-R478 IonicContact OD2-NE 2.86Å; D476-R478 PolarHBondContact OD2-NE 3.32Å; D476-R478 IonicContact OD2-NH2 2.94Å; D476-R478 PolarHBondContact OD2-NH2 2.85Å; R478-R481 PolarHBondContact O-N 2.92Å; R478-K482 WeakPolarHBondContact O-CB 3.44Å; R478-K482 WeakPolarHBondContact O-CG 3.18Å; R478-K482 PolarHBondContact O-N 2.81Å
479D98Very high97.4Very high0 Ų037.7 Ų37.70%017%0.17CC..Hα-helixtrans-66.5-44.1177.7-63.1-17.8000110.9L446 P449 M450 S451 L474 D476 M477 R481 K482 L483L446-D479 HydrophobicContact CD2-CB 3.58Å; P449-D479 WeakPolarHBondContact CA-OD1 3.43Å; M450-D479 WeakPolarHBondContact CB-OD1 3.37Å; M450-D479 PolarHBondContact N-OD1 2.95Å; M450-D479 PolarHBondContact N-OD2 2.95Å; S451-D479 WeakPolarHBondContact CB-OD2 3.49Å; S451-D479 PolarHBondContact N-OD2 2.88Å; S451-D479 PolarHBondContact OG-OD2 3.34Å; L474-D479 HydrophobicContact CD2-CB 4.07Å; D476-D479 WeakPolarHBondContact O-CB 3.24Å; D476-D479 PolarHBondContact O-N 3.25Å; D476-D479 VanDerWaalsContact O-N 3.09Å; M477-D479 VanDerWaalsContact C-N 3.28Å; M477-D479 PolarHBondContact O-N 3.1Å; D479-R481 PolarHBondContact O-N 2.83Å; D479-K482 PolarHBondContact O-N 2.94Å; D479-L483 PolarHBondContact O-N 3.28Å
480V97.7Very high97.4Very high0 Ų037.7 Ų37.70%017%0.17CC..Hα-helixtrans-60.1-47177.1-170.70000110.7L474 M477 K482 L483 A484 D527 V530L474-V480 HydrophobicContact CB-CG2 3.84Å; L474-V480 HydrophobicContact CD1-CG2 4.48Å; L474-V480 HydrophobicContact CD2-CG2 4.18Å; L474-V480 HydrophobicContact CG-CG2 4.39Å; M477-V480 HydrophobicContact CE-CB 4.4Å; M477-V480 PolarHBondContact O-N 2.86Å; M477-V480 HydrophobicContact SD-CG2 4.41Å; V480-K482 PolarHBondContact O-N 2.87Å; V480-L483 PolarHBondContact O-N 2.83Å; V480-A484 VanDerWaalsContact O-CB 3.26Å; V480-A484 WeakPolarHBondContact O-CB 3.28Å; V480-A484 PolarHBondContact O-N 2.63Å; V480-D527 WeakPolarHBondContact CG1-OD1 3.46Å; V480-V530 HydrophobicContact CG1-CG1 4.23Å
481R97.2Very high97.3Very high164 Ų16436.3 Ų36.362%0.61916%0.162SC*.Hα-helixtrans-62.4-40.7178-71173.7-176.11681.6112.3M477 R478 D479 R485M477-R481 WeakPolarHBondContact O-CG 3.27Å; M477-R481 PolarHBondContact O-N 2.85Å; M477-R481 VanDerWaalsContact O-N 3.08Å; R478-R481 PolarHBondContact O-N 2.92Å; D479-R481 PolarHBondContact O-N 2.83Å; R481-R485 VanDerWaalsContact O-CG 3.25Å; R481-R485 WeakPolarHBondContact O-CG 3.38Å; R481-R485 PolarHBondContact O-N 3Å
482K97.4Very high97.2Very high25 Ų2543.6 Ų43.611%0.10919%0.194CC..Hα-helixtrans-67.4-47178.5-76.2-176.1173.9-141.70112.1D392 D398 L446 R478 D479 V480 A484 R485 G486D392-K482 WeakPolarHBondContact OD2-CE 3.44Å; D392-K482 IonicContact OD2-NZ 2.8Å; D392-K482 PolarHBondContact OD2-NZ 2.93Å; D398-K482 IonicContact OD2-NZ 3.69Å; D398-K482 PolarHBondContact OD2-NZ 3.44Å; L446-K482 HydrophobicContact CD1-CB 3.88Å; L446-K482 HydrophobicContact CD1-CD 3.83Å; R478-K482 WeakPolarHBondContact O-CB 3.44Å; R478-K482 WeakPolarHBondContact O-CG 3.18Å; R478-K482 PolarHBondContact O-N 2.81Å; D479-K482 PolarHBondContact O-N 2.94Å; V480-K482 PolarHBondContact O-N 2.87Å; K482-A484 VanDerWaalsContact C-N 3.34Å; K482-A484 PolarHBondContact O-N 3.4Å; K482-R485 WeakPolarHBondContact O-CB 3.28Å; K482-R485 PolarHBondContact O-N 3.26Å; K482-G486 PolarHBondContact O-N 2.82Å
483L97.9Very high97Very high0 Ų043 Ų430%019%0.189CC..Hα-helixtrans-60.5-43.8174.4-79.6170.9000111.6V341 V444 L446 L474 D479 V480 R485 G486 V487 V530V341-L483 HydrophobicContact CB-CD1 4.2Å; V341-L483 HydrophobicContact CG1-CD1 3.93Å; V444-L483 HydrophobicContact CG1-CD2 4.38Å; L446-L483 HydrophobicContact CB-CD1 4.45Å; L446-L483 HydrophobicContact CB-CD2 3.73Å; L446-L483 HydrophobicContact CB-CG 3.9Å; L446-L483 HydrophobicContact CD2-CG 4.39Å; L474-L483 HydrophobicContact CD2-CD1 3.64Å; D479-L483 PolarHBondContact O-N 3.28Å; V480-L483 PolarHBondContact O-N 2.83Å; L483-R485 VanDerWaalsContact C-N 3.29Å; L483-R485 PolarHBondContact O-N 3.25Å; L483-G486 CarbonylContact O-C 3.16Å; L483-G486 VanDerWaalsContact O-CA 3.31Å; L483-G486 WeakPolarHBondContact O-CA 3.32Å; L483-G486 PolarHBondContact O-N 3.42Å; L483-V487 WeakPolarHBondContact O-CG2 3.46Å; L483-V487 PolarHBondContact O-N 2.99Å; L483-V530 HydrophobicContact CB-CG1 3.86Å; L483-V530 HydrophobicContact CB-CG2 4.15Å; L483-V530 HydrophobicContact CD1-CG1 3.88Å
484A97.7Very high96.8Very high18 Ų1843.4 Ų43.415%0.14919%0.191CC..Hα-helixtrans-59.1-40.5175.800000112.1V480 K482 G486 V487 R488 I526V480-A484 VanDerWaalsContact O-CB 3.26Å; V480-A484 WeakPolarHBondContact O-CB 3.28Å; V480-A484 PolarHBondContact O-N 2.63Å; K482-A484 VanDerWaalsContact C-N 3.34Å; K482-A484 PolarHBondContact O-N 3.4Å; A484-G486 VanDerWaalsContact C-N 3.32Å; A484-G486 PolarHBondContact O-N 3.39Å; A484-V487 PolarHBondContact O-N 3.48Å; A484-R488 WeakPolarHBondContact O-CG 3.5Å; A484-R488 PolarHBondContact O-N 2.7Å; A484-I526 HydrophobicContact CB-CG2 3.6Å
485R97.5Very high96.6Very high104 Ų10446.4 Ų46.439%0.39221%0.212SC..Hα-helixtrans-65.7-34172.5-70.2169.165.7-150.72112.4L391 D392 R481 K482 L483 R488 F489L391-R485 VanDerWaalsContact C-NH2 3.28Å; L391-R485 HydrophobicContact CD1-CB 3.85Å; L391-R485 PolarHBondContact O-NH2 2.98Å; D392-R485 IonicContact OD1-CZ 3.9Å; D392-R485 IonicContact OD1-NH1 2.75Å; D392-R485 PolarHBondContact OD1-NH1 2.99Å; D392-R485 IonicContact OD1-NH2 3.39Å; R481-R485 VanDerWaalsContact O-CG 3.25Å; R481-R485 WeakPolarHBondContact O-CG 3.38Å; R481-R485 PolarHBondContact O-N 3Å; K482-R485 WeakPolarHBondContact O-CB 3.28Å; K482-R485 PolarHBondContact O-N 3.26Å; L483-R485 VanDerWaalsContact C-N 3.29Å; L483-R485 PolarHBondContact O-N 3.25Å; R485-R488 WeakPolarHBondContact O-CB 3.36Å; R485-R488 PolarHBondContact O-N 2.7Å; R485-F489 WeakPolarHBondContact O-CB 3.45Å; R485-F489 PolarHBondContact O-N 3.14Å
486G97.8Very high96.4Very high0 Ų043.3 Ų43.30%019%0.193CC..Hα-helixtrans-61.3-46169.500000112.4K482 L483 A484 R488 F489 V490K482-G486 PolarHBondContact O-N 2.82Å; L483-G486 CarbonylContact O-C 3.16Å; L483-G486 VanDerWaalsContact O-CA 3.31Å; L483-G486 WeakPolarHBondContact O-CA 3.32Å; L483-G486 PolarHBondContact O-N 3.42Å; A484-G486 VanDerWaalsContact C-N 3.32Å; A484-G486 PolarHBondContact O-N 3.39Å; G486-R488 VanDerWaalsContact C-N 3.34Å; G486-R488 PolarHBondContact O-N 3.13Å; G486-F489 VanDerWaalsContact O-CB 3.29Å; G486-F489 WeakPolarHBondContact O-CB 3.29Å; G486-F489 PolarHBondContact O-N 3.34Å; G486-F489 VanDerWaalsContact O-N 3.13Å; G486-V490 PolarHBondContact O-N 3.47Å
487V97.6Very high96.2Very high0 Ų046.1 Ų46.10%021%0.214CC..Hα-helixtrans-61.1-42.9174.4178.50000111.1L345 L483 A484 F489 V490 E491 Y508 I526 V530L345-V487 HydrophobicContact CD1-CB 4.42Å; L345-V487 HydrophobicContact CD1-CG1 4.01Å; L345-V487 HydrophobicContact CD1-CG2 4.25Å; L345-V487 HydrophobicContact CD2-CG1 4.43Å; L483-V487 WeakPolarHBondContact O-CG2 3.46Å; L483-V487 PolarHBondContact O-N 2.99Å; A484-V487 PolarHBondContact O-N 3.48Å; V487-F489 VanDerWaalsContact C-N 3.29Å; V487-F489 PolarHBondContact O-N 3.14Å; V487-V490 WeakPolarHBondContact O-CB 3.43Å; V487-V490 PolarHBondContact O-N 3.49Å; V487-V490 VanDerWaalsContact O-N 3.12Å; V487-E491 PolarHBondContact O-N 3.33Å; V487-Y508 HydrophobicContact CG1-CE1 4.25Å; V487-Y508 VanDerWaalsContact CG1-OH 3.25Å; V487-Y508 WeakPolarHBondContact CG1-OH 3.3Å; V487-I526 HydrophobicContact CB-CD1 4.43Å; V487-I526 HydrophobicContact CB-CG2 3.85Å; V487-I526 HydrophobicContact CG1-CD1 3.9Å; V487-I526 HydrophobicContact CG1-CG1 4.18Å; V487-I526 HydrophobicContact CG1-CG2 4Å; V487-I526 HydrophobicContact CG2-CG2 4.23Å; V487-V530 HydrophobicContact CG2-CG2 4.22Å
488R96.5Very high95.9Very high61 Ų6144 Ų4423%0.2321%0.205CC..Hα-helixtrans-61-37.1174-71.2-61.2-167.5-159.9-2.4113.1A484 R485 G486 V490 E491 K492 A521 I526A484-R488 WeakPolarHBondContact O-CG 3.5Å; A484-R488 PolarHBondContact O-N 2.7Å; R485-R488 WeakPolarHBondContact O-CB 3.36Å; R485-R488 PolarHBondContact O-N 2.7Å; G486-R488 VanDerWaalsContact C-N 3.34Å; G486-R488 PolarHBondContact O-N 3.13Å; R488-V490 VanDerWaalsContact C-N 3.31Å; R488-E491 VanDerWaalsContact CD-OE2 3.27Å; R488-E491 WeakPolarHBondContact CD-OE2 3.47Å; R488-E491 IonicContact CZ-OE2 3.73Å; R488-E491 IonicContact NE-OE2 2.62Å; R488-E491 IonicContact NH1-OE1 3.88Å; R488-E491 IonicContact NH1-OE2 3.37Å; R488-E491 PolarHBondContact NH1-OE2 3.44Å; R488-E491 PolarHBondContact O-N 3.26Å; R488-K492 WeakPolarHBondContact O-CG 3.4Å; R488-K492 PolarHBondContact O-N 3.06Å; R488-K492 VanDerWaalsContact O-N 3.14Å; R488-A521 PolarHBondContact NH1-O 3.17Å; R488-A521 PolarHBondContact NH2-O 2.81Å; R488-I526 VanDerWaalsContact CD-CD1 3.49Å; R488-I526 HydrophobicContact CG-CD1 4Å; R488-I526 VanDerWaalsContact NE-CD1 3.34Å; R488-I526 VanDerWaalsContact NH1-CD1 3.34Å
489F96.5Very high95.5Very high22 Ų2238 Ų3810%0.09618%0.182CC..Hα-helixtrans-62.1-43.5174.5-177.6-79.3000110.4H212 F227 V389 L391 L401 R485 G486 V487 K492 L493H212-F489 AromaticContact CD2-CZ 3.7Å; H212-F489 AromaticContact CE1-CE2 3.31Å; H212-F489 WeakPolarHBondContact CE1-CE2 3.32Å; H212-F489 AromaticContact CE1-CZ 3.6Å; H212-F489 AromaticContact NE2-CE2 3.27Å; H212-F489 VanDerWaalsContact NE2-CE2 3.27Å; H212-F489 WeakPolarHBondContact NE2-CE2 3.32Å; H212-F489 AromaticContact NE2-CZ 3.29Å; H212-F489 VanDerWaalsContact NE2-CZ 3.29Å; H212-F489 WeakPolarHBondContact NE2-CZ 3.42Å; F227-F489 HydrophobicContact CE2-CE1 4.39Å; F227-F489 HydrophobicContact CE2-CZ 4.17Å; F227-F489 AromaticContact CZ-CE1 3.95Å; F227-F489 HydrophobicContact CZ-CE1 3.95Å; F227-F489 HydrophobicContact CZ-CZ 4.18Å; V389-F489 HydrophobicContact CG1-CD2 3.97Å; V389-F489 HydrophobicContact CG1-CE2 3.61Å; V389-F489 HydrophobicContact CG1-CZ 4.04Å; V389-F489 HydrophobicContact CG2-CE1 4.01Å; V389-F489 HydrophobicContact CG2-CE2 4.25Å; V389-F489 HydrophobicContact CG2-CZ 3.81Å; L391-F489 HydrophobicContact CD2-CB 4.36Å; L391-F489 HydrophobicContact CD2-CD2 3.78Å; L391-F489 HydrophobicContact CD2-CG 4.38Å; L401-F489 HydrophobicContact CD1-CD1 3.57Å; L401-F489 HydrophobicContact CD1-CE1 3.56Å; R485-F489 WeakPolarHBondContact O-CB 3.45Å; R485-F489 PolarHBondContact O-N 3.14Å; G486-F489 VanDerWaalsContact O-CB 3.29Å; G486-F489 WeakPolarHBondContact O-CB 3.29Å; G486-F489 PolarHBondContact O-N 3.34Å; G486-F489 VanDerWaalsContact O-N 3.13Å; V487-F489 VanDerWaalsContact C-N 3.29Å; V487-F489 PolarHBondContact O-N 3.14Å; F489-K492 WeakPolarHBondContact O-CB 3.41Å; F489-K492 PolarHBondContact O-N 3.31Å; F489-L493 PolarHBondContact O-N 3.41Å
490V96.7Very high95.2Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-62.6-45.1175.2178.50000111.7L345 L401 I442 V444 G486 V487 R488 K492 L493 I494 L506L345-V490 HydrophobicContact CD1-CB 3.99Å; L345-V490 HydrophobicContact CD1-CG1 3.93Å; L345-V490 HydrophobicContact CD1-CG2 4.19Å; L401-V490 HydrophobicContact CD1-CG2 4.17Å; L401-V490 HydrophobicContact CD2-CG2 3.89Å; I442-V490 HydrophobicContact CB-CG1 4.29Å; I442-V490 HydrophobicContact CD1-CG1 3.67Å; I442-V490 HydrophobicContact CG2-CG1 4.2Å; I442-V490 HydrophobicContact CG2-CG2 3.74Å; V444-V490 HydrophobicContact CG2-CG2 3.7Å; G486-V490 PolarHBondContact O-N 3.47Å; V487-V490 WeakPolarHBondContact O-CB 3.43Å; V487-V490 PolarHBondContact O-N 3.49Å; V487-V490 VanDerWaalsContact O-N 3.12Å; R488-V490 VanDerWaalsContact C-N 3.31Å; V490-K492 VanDerWaalsContact C-N 3.25Å; V490-K492 PolarHBondContact O-N 3.08Å; V490-L493 WeakPolarHBondContact O-CB 3.48Å; V490-L493 PolarHBondContact O-N 3.5Å; V490-I494 HydrophobicContact CG1-CG1 4.12Å; V490-I494 WeakPolarHBondContact O-CG1 3.17Å; V490-I494 PolarHBondContact O-N 3.16Å; V490-L506 HydrophobicContact CG1-CD1 4.25Å; V490-L506 HydrophobicContact CG1-CD2 3.98Å
491E95.1Very high94.8Very high19 Ų1951.9 Ų51.99%0.08925%0.245CC..Hα-helixtrans-56-39.9175.4-76.1-174.1129.800112.5V487 R488 S495 L506 Y508 A521V487-E491 PolarHBondContact O-N 3.33Å; R488-E491 VanDerWaalsContact CD-OE2 3.27Å; R488-E491 WeakPolarHBondContact CD-OE2 3.47Å; R488-E491 IonicContact CZ-OE2 3.73Å; R488-E491 IonicContact NE-OE2 2.62Å; R488-E491 IonicContact NH1-OE1 3.88Å; R488-E491 IonicContact NH1-OE2 3.37Å; R488-E491 PolarHBondContact NH1-OE2 3.44Å; R488-E491 PolarHBondContact O-N 3.26Å; E491-S495 WeakPolarHBondContact O-CB 3.41Å; E491-S495 PolarHBondContact O-N 3.19Å; E491-S495 VanDerWaalsContact O-N 3.08Å; E491-S495 PolarHBondContact O-OG 3Å; E491-L506 HydrophobicContact CG-CD1 3.79Å; E491-Y508 HydrophobicContact CG-CE2 4.47Å; E491-Y508 VanDerWaalsContact CG-OH 3.24Å; E491-Y508 WeakPolarHBondContact CG-OH 3.44Å; E491-Y508 PolarHBondContact OE1-OH 2.98Å; E491-A521 WeakPolarHBondContact OE1-CB 3.5Å; E491-A521 PolarHBondContact OE1-N 3.25Å
492K95Very high94.2Very high158 Ų15844.5 Ų44.569%0.68722%0.219SC*.Hα-helixtrans-66.7-42.2174.9-70.8177.1-179.2-178.10112R488 F489 V490 S495 T496R488-K492 WeakPolarHBondContact O-CG 3.4Å; R488-K492 PolarHBondContact O-N 3.06Å; R488-K492 VanDerWaalsContact O-N 3.14Å; F489-K492 WeakPolarHBondContact O-CB 3.41Å; F489-K492 PolarHBondContact O-N 3.31Å; V490-K492 VanDerWaalsContact C-N 3.25Å; V490-K492 PolarHBondContact O-N 3.08Å; K492-S495 WeakPolarHBondContact O-CB 3.47Å; K492-S495 PolarHBondContact O-N 3.43Å; K492-S495 VanDerWaalsContact O-N 3.15Å; K492-T496 PolarHBondContact O-N 3.35Å
493L94.9Very high93.8Very high5 Ų544.2 Ų44.23%0.02622%0.223CC..Hα-helixtrans-59.9-47.3176.8-175.768.5000111.3W203 A206 F227 F489 V490 S495 T496 M499W203-L493 HydrophobicContact CE3-CD2 4.47Å; W203-L493 HydrophobicContact CH2-CD2 4.14Å; W203-L493 HydrophobicContact CZ3-CD2 3.74Å; A206-L493 HydrophobicContact CB-CD1 3.7Å; A206-L493 HydrophobicContact CB-CG 4.23Å; A206-L493 WeakPolarHBondContact O-CD1 3.47Å; F227-L493 HydrophobicContact CE1-CD1 3.85Å; F227-L493 HydrophobicContact CE1-CD2 3.85Å; F227-L493 HydrophobicContact CZ-CD1 3.71Å; F227-L493 HydrophobicContact CZ-CD2 4.07Å; F489-L493 PolarHBondContact O-N 3.41Å; V490-L493 WeakPolarHBondContact O-CB 3.48Å; V490-L493 PolarHBondContact O-N 3.5Å; L493-S495 PolarHBondContact O-N 2.85Å; L493-T496 WeakPolarHBondContact O-CB 3.44Å; L493-T496 VanDerWaalsContact O-CG2 3.25Å; L493-T496 WeakPolarHBondContact O-CG2 3.35Å; L493-T496 PolarHBondContact O-N 2.92Å; L493-T496 VanDerWaalsContact O-N 3.17Å; L493-T496 PolarHBondContact O-OG1 2.94Å; L493-M499 WeakPolarHBondContact O-CG 3.18Å
494I93.9Very high93.4Very high13 Ų1344.8 Ų44.87%0.06723%0.228CC..Hα-helixtrans-65.6-26177-60.1-50000111.9L347 I442 V490 T496 M499 A504 L506L347-I494 HydrophobicContact CD1-CD1 3.51Å; L347-I494 HydrophobicContact CD1-CG1 3.99Å; L347-I494 HydrophobicContact CD1-CG2 4.38Å; L347-I494 HydrophobicContact CD2-CD1 3.95Å; L347-I494 HydrophobicContact CG-CD1 4.41Å; I442-I494 HydrophobicContact CD1-CD1 3.89Å; V490-I494 HydrophobicContact CG1-CG1 4.12Å; V490-I494 WeakPolarHBondContact O-CG1 3.17Å; V490-I494 PolarHBondContact O-N 3.16Å; I494-T496 VanDerWaalsContact C-N 3.27Å; I494-T496 PolarHBondContact O-N 3.46Å; I494-M499 HydrophobicContact CD1-CE 3.34Å; I494-M499 VanDerWaalsContact O-CB 3.28Å; I494-M499 WeakPolarHBondContact O-CB 3.35Å; I494-A504 HydrophobicContact CD1-CB 4.46Å; I494-A504 HydrophobicContact CG2-CB 4.14Å; I494-A504 WeakPolarHBondContact CG2-O 3.4Å; I494-L506 HydrophobicContact CG1-CD1 4.29Å; I494-L506 HydrophobicContact CG1-CD2 4.04Å; I494-L506 HydrophobicContact CG1-CG 3.97Å
495S93.2Very high93.1Very high65 Ų6546 Ų4646%0.45524%0.239SC..THydrogen-bonded Turntrans-79-4.8177.2-62.10000114.6E491 K492 L493 K500E491-S495 WeakPolarHBondContact O-CB 3.41Å; E491-S495 PolarHBondContact O-N 3.19Å; E491-S495 VanDerWaalsContact O-N 3.08Å; E491-S495 PolarHBondContact O-OG 3Å; K492-S495 WeakPolarHBondContact O-CB 3.47Å; K492-S495 PolarHBondContact O-N 3.43Å; K492-S495 VanDerWaalsContact O-N 3.15Å; L493-S495 PolarHBondContact O-N 2.85Å; S495-K500 WeakPolarHBondContact O-CE 3.35Å; S495-K500 PolarHBondContact O-NZ 2.93Å
496T93.5Very high92.8Very high10 Ų1042 Ų426%0.06123%0.225CC..SBendtrans-64.7151.4176.460.40000111.4K492 L493 I494 V498 M499 K500K492-T496 PolarHBondContact O-N 3.35Å; L493-T496 WeakPolarHBondContact O-CB 3.44Å; L493-T496 VanDerWaalsContact O-CG2 3.25Å; L493-T496 WeakPolarHBondContact O-CG2 3.35Å; L493-T496 PolarHBondContact O-N 2.92Å; L493-T496 VanDerWaalsContact O-N 3.17Å; L493-T496 PolarHBondContact O-OG1 2.94Å; I494-T496 VanDerWaalsContact C-N 3.27Å; I494-T496 PolarHBondContact O-N 3.46Å; T496-V498 VanDerWaalsContact C-N 3.29Å; T496-V498 PolarHBondContact O-N 2.88Å; T496-M499 PolarHBondContact O-N 3.27Å; T496-M499 VanDerWaalsContact OG1-CG 3.31Å; T496-M499 WeakPolarHBondContact OG1-CG 3.31Å; T496-K500 PolarHBondContact O-N 3.47Å
497P91.6Very high92.3Very high99 Ų9943.8 Ų43.864%0.64323%0.234SC*.Hα-helixtrans-53.6-43-178.4-28.435.9000113.7M499 K500 E501P497-M499 PolarHBondContact O-N 3.45Å; P497-K500 PolarHBondContact O-N 3.27Å; P497-E501 WeakPolarHBondContact O-CB 3.31Å; P497-E501 PolarHBondContact O-N 3.46Å
498V90.1Very high92Very high32 Ų3244.7 Ų44.719%0.19424%0.238CC..Hα-helixtrans-66.6-38.5-178.771.30000112.7L202 H205 A206 T496 E501 A502L202-V498 HydrophobicContact CD1-CG1 4.45Å; L202-V498 HydrophobicContact CD1-CG2 3.76Å; H205-V498 HydrophobicContact CB-CG1 4.35Å; H205-V498 HydrophobicContact CB-CG2 4.13Å; A206-V498 HydrophobicContact CB-CG1 4.08Å; T496-V498 VanDerWaalsContact C-N 3.29Å; T496-V498 PolarHBondContact O-N 2.88Å; V498-E501 PolarHBondContact O-N 3.09Å; V498-A502 PolarHBondContact O-N 2.72Å
499M90.5Very high91.7Very high3 Ų342 Ų422%0.01523%0.228CC..Hα-helixtrans-70.8-38.1176.4-68.7-57.2-75.100111.1L202 A206 L347 L493 I494 T496 P497 A502 G503 A504L202-M499 HydrophobicContact CD1-SD 3.67Å; L202-M499 HydrophobicContact CD2-SD 4.13Å; L202-M499 HydrophobicContact CG-SD 3.74Å; A206-M499 HydrophobicContact CB-CG 3.63Å; A206-M499 HydrophobicContact CB-SD 3.72Å; L347-M499 HydrophobicContact CD2-CE 3.99Å; L493-M499 WeakPolarHBondContact O-CG 3.18Å; I494-M499 HydrophobicContact CD1-CE 3.34Å; I494-M499 VanDerWaalsContact O-CB 3.28Å; I494-M499 WeakPolarHBondContact O-CB 3.35Å; T496-M499 PolarHBondContact O-N 3.27Å; T496-M499 VanDerWaalsContact OG1-CG 3.31Å; T496-M499 WeakPolarHBondContact OG1-CG 3.31Å; P497-M499 PolarHBondContact O-N 3.45Å; M499-A502 PolarHBondContact O-N 3.12Å; M499-G503 PolarHBondContact O-N 3.4Å; M499-A504 HydrophobicContact CB-CB 4.03Å; M499-A504 HydrophobicContact CE-CB 3.7Å; M499-A504 WeakPolarHBondContact O-CB 3.5Å; M499-A504 PolarHBondContact O-N 3.26Å
500K91.3Very high91.4Very high135 Ų13545.3 Ų45.359%0.58725%0.246SC*.Hα-helixtrans-62.5-40.7172.5-73.5178.8173.61710112.3S495 T496 P497 A502 G503S495-K500 WeakPolarHBondContact O-CE 3.35Å; S495-K500 PolarHBondContact O-NZ 2.93Å; T496-K500 PolarHBondContact O-N 3.47Å; P497-K500 PolarHBondContact O-N 3.27Å; K500-A502 VanDerWaalsContact C-N 3.34Å; K500-G503 WeakPolarHBondContact O-CA 3.26Å; K500-G503 PolarHBondContact O-N 3.13Å
501E87.8Confident91.3Very high157 Ų15745.6 Ų45.673%0.73425%0.248SC*.Hα-helixtrans-66.1-35.4176.5-172.5178.6173.600112.5P497 V498 G503P497-E501 WeakPolarHBondContact O-CB 3.31Å; P497-E501 PolarHBondContact O-N 3.46Å; V498-E501 PolarHBondContact O-N 3.09Å; E501-G503 PolarHBondContact O-N 3.12Å
502A86.2Confident91.1Very high8 Ų850 Ų507%0.06628%0.278CS..THydrogen-bonded Turntrans-68.9-717000000113.2L202 S350 N351 V498 M499 K500 A504L202-A502 HydrophobicContact CD1-CB 3.94Å; L202-A502 HydrophobicContact CD2-CB 3.82Å; S350-A502 PolarHBondContact N-O 3.04Å; N351-A502 VanDerWaalsContact CB-O 3.31Å; N351-A502 WeakPolarHBondContact CB-O 3.25Å; N351-A502 PolarHBondContact N-O 3.39Å; N351-A502 VanDerWaalsContact N-O 3.16Å; V498-A502 PolarHBondContact O-N 2.72Å; M499-A502 PolarHBondContact O-N 3.12Å; K500-A502 VanDerWaalsContact C-N 3.34Å; A502-A504 VanDerWaalsContact C-N 3.29Å
503G89Confident91Very high19 Ų1946.1 Ų46.120%0.19627%0.271CS..THydrogen-bonded Turntrans67.732.3-175.700000112.4S350 M499 K500 E501S350-G503 PolarHBondContact N-O 2.91Å; S350-G503 WeakPolarHBondContact OG-CA 3.49Å; S350-G503 PolarHBondContact OG-O 3.43Å; M499-G503 PolarHBondContact O-N 3.4Å; K500-G503 WeakPolarHBondContact O-CA 3.26Å; K500-G503 PolarHBondContact O-N 3.13Å; E501-G503 PolarHBondContact O-N 3.12Å
504A89.6Confident91.1Very high12 Ų1246.5 Ų46.510%0.09927%0.274CS..  trans-71.3126.9-178.100000110.9L347 K348 V349 I494 M499 A502L347-A504 HydrophobicContact CD1-CB 4.16Å; K348-A504 CarbonylContact O-C 3.49Å; K348-A504 WeakPolarHBondContact O-CA 3.24Å; V349-A504 HydrophobicContact CG1-CB 4.38Å; I494-A504 HydrophobicContact CD1-CB 4.46Å; I494-A504 HydrophobicContact CG2-CB 4.14Å; I494-A504 WeakPolarHBondContact CG2-O 3.4Å; M499-A504 HydrophobicContact CB-CB 4.03Å; M499-A504 HydrophobicContact CE-CB 3.7Å; M499-A504 WeakPolarHBondContact O-CB 3.5Å; M499-A504 PolarHBondContact O-N 3.26Å; A502-A504 VanDerWaalsContact C-N 3.29Å
505A90Very high91.1Very high45 Ų4548.6 Ų48.637%0.37229%0.289SS..EExtended strand (participates in β ladder)trans-141128178.300000110.6K348K348-A505 PolarHBondContact N-O 2.96Å; K348-A505 PolarHBondContact O-N 3.14Å
506L91.4Very high91.1Very high19 Ų1951 Ų5110%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-69.7137.2173.2-67.1172.4000110L345 L347 V490 E491 I494 Y508L345-L506 HydrophobicContact CB-CD2 4.18Å; L347-L506 HydrophobicContact CD1-CD2 3.96Å; L347-L506 HydrophobicContact CD1-CG 4.46Å; V490-L506 HydrophobicContact CG1-CD1 4.25Å; V490-L506 HydrophobicContact CG1-CD2 3.98Å; E491-L506 HydrophobicContact CG-CD1 3.79Å; I494-L506 HydrophobicContact CG1-CD1 4.29Å; I494-L506 HydrophobicContact CG1-CD2 4.04Å; I494-L506 HydrophobicContact CG1-CG 3.97Å; L506-Y508 HydrophobicContact CB-CE2 4.48Å; L506-Y508 HydrophobicContact CD1-CE2 4.37Å
507L88.2Confident90.9Very high37 Ų3752.1 Ų52.119%0.19431%0.307CS..  trans-106.391.9178.4-53.5166.9000108P346 K348 L434P346-L507 HydrophobicContact CB-CB 4.13Å; P346-L507 HydrophobicContact CB-CD1 4.16Å; P346-L507 PolarHBondContact O-N 3.43Å; K348-L507 HydrophobicContact CB-CD1 4.03Å; K348-L507 HydrophobicContact CB-CD2 4.03Å; K348-L507 HydrophobicContact CB-CG 4.14Å; K348-L507 HydrophobicContact CD-CD2 4.48Å; L434-L507 HydrophobicContact CD1-CD1 3.43Å; L434-L507 VanDerWaalsContact CD1-CD1 3.43Å; L434-L507 HydrophobicContact CD2-CD1 4.12Å; L434-L507 HydrophobicContact CG-CD1 4.43Å
508Y91.6Very high90.7Very high20 Ų2055 Ų558%0.07831%0.31CS..  trans-82.3129.6178.7-83.4-42.5000110.9L345 V487 E491 L506 V517 L519 A521 Y525 L529L345-Y508 HydrophobicContact CD2-CE1 4.06Å; V487-Y508 HydrophobicContact CG1-CE1 4.25Å; V487-Y508 VanDerWaalsContact CG1-OH 3.25Å; V487-Y508 WeakPolarHBondContact CG1-OH 3.3Å; E491-Y508 HydrophobicContact CG-CE2 4.47Å; E491-Y508 VanDerWaalsContact CG-OH 3.24Å; E491-Y508 WeakPolarHBondContact CG-OH 3.44Å; E491-Y508 PolarHBondContact OE1-OH 2.98Å; L506-Y508 HydrophobicContact CB-CE2 4.48Å; L506-Y508 HydrophobicContact CD1-CE2 4.37Å; Y508-V517 HydrophobicContact CD2-CG2 3.94Å; Y508-V517 HydrophobicContact CG-CG2 4.22Å; Y508-L519 HydrophobicContact CD2-CD2 3.61Å; Y508-L519 HydrophobicContact CE2-CD2 3.72Å; Y508-A521 HydrophobicContact CD2-CB 4.4Å; Y508-A521 HydrophobicContact CE2-CB 3.88Å; Y508-Y525 VanDerWaalsContact CB-OH 3.32Å; Y508-Y525 WeakPolarHBondContact CB-OH 3.25Å; Y508-Y525 AromaticContact CD1-CE1 3.77Å; Y508-Y525 HydrophobicContact CD1-CE1 3.77Å; Y508-Y525 HydrophobicContact CD2-CE1 4.12Å; Y508-Y525 HydrophobicContact CE1-CE1 4.32Å; Y508-Y525 AromaticContact CG-CE1 3.68Å; Y508-Y525 HydrophobicContact CG-CE1 3.68Å; Y508-L529 HydrophobicContact CD1-CD2 3.65Å; Y508-L529 HydrophobicContact CE1-CD2 3.47Å; Y508-L529 VanDerWaalsContact CE1-CD2 3.47Å
509P90.4Very high90.4Very high4 Ų459.3 Ų59.33%0.02633%0.331CS..  trans-68.3140.8179.125.5-32.3000111.9M427 L428 I511 Y525 L529 M533M427-P509 HydrophobicContact CB-CB 3.99Å; M427-P509 WeakPolarHBondContact O-CA 3.49Å; L428-P509 HydrophobicContact CD2-CB 3.63Å; L428-P509 HydrophobicContact CD2-CG 3.95Å; L428-P509 HydrophobicContact CG-CB 4.03Å; P509-I511 VanDerWaalsContact C-N 3.27Å; P509-I511 HydrophobicContact CB-CD1 4.46Å; P509-I511 HydrophobicContact CB-CG1 3.99Å; P509-I511 HydrophobicContact CG-CD1 3.84Å; P509-I511 HydrophobicContact CG-CG1 3.92Å; P509-I511 PolarHBondContact O-N 3.41Å; P509-Y525 WeakPolarHBondContact CD-OH 3.37Å; P509-Y525 PolarHBondContact O-OH 2.86Å; P509-L529 HydrophobicContact CG-CD1 3.6Å; P509-M533 HydrophobicContact CG-CG 4.5Å
510N90Very high90.3Very high91 Ų9164.3 Ų64.349%0.48736%0.363SS..  trans-78.975.7170.6-71.8-44.8000110.8M427 P512 V517M427-N510 PolarHBondContact O-N 2.86Å; N510-P512 WeakPolarHBondContact O-CD 3.29Å; N510-V517 VanDerWaalsContact OD1-CG1 3.25Å; N510-V517 WeakPolarHBondContact OD1-CG1 3.46Å
511I93.5Very high90.4Very high6 Ų658 Ų583%0.03134%0.337CS..  trans-75.8118.4-179.7-59.7163.8000109.4M427 P509 S513 C514 L529 H532 M533M427-I511 HydrophobicContact SD-CG1 4.35Å; P509-I511 VanDerWaalsContact C-N 3.27Å; P509-I511 HydrophobicContact CB-CD1 4.46Å; P509-I511 HydrophobicContact CB-CG1 3.99Å; P509-I511 HydrophobicContact CG-CD1 3.84Å; P509-I511 HydrophobicContact CG-CG1 3.92Å; P509-I511 PolarHBondContact O-N 3.41Å; I511-S513 VanDerWaalsContact C-N 3.28Å; I511-S513 WeakPolarHBondContact CG2-OG 3.48Å; I511-S513 PolarHBondContact O-N 3.27Å; I511-S513 VanDerWaalsContact O-N 3.17Å; I511-C514 HydrophobicContact CB-CB 4.05Å; I511-C514 VanDerWaalsContact CB-SG 3.58Å; I511-C514 HydrophobicContact CG2-CB 4.33Å; I511-C514 VanDerWaalsContact CG2-SG 3.51Å; I511-C514 PolarHBondContact O-N 2.97Å; I511-L529 HydrophobicContact CD1-CD1 3.97Å; I511-H532 HydrophobicContact CD1-CB 3.74Å; I511-H532 HydrophobicContact CG2-CB 4.49Å; I511-M533 HydrophobicContact CD1-CG 4.28Å
512P91.9Very high90.8Very high111 Ų11153 Ų5372%0.72132%0.319SS*.THydrogen-bonded Turntrans-59.3-30.6-172.5-2835.9000115.7M427 N510 C514M427-P512 HydrophobicContact CE-CG 4.39Å; N510-P512 WeakPolarHBondContact O-CD 3.29Å; P512-C514 VanDerWaalsContact C-N 3.34Å
513S93Very high91.2Very high77 Ų7760.2 Ų60.254%0.53835%0.351SS..THydrogen-bonded Turntrans-83.2-9.717851.70000113.8I511 H532I511-S513 VanDerWaalsContact C-N 3.28Å; I511-S513 WeakPolarHBondContact CG2-OG 3.48Å; I511-S513 PolarHBondContact O-N 3.27Å; I511-S513 VanDerWaalsContact O-N 3.17Å; S513-H532 PolarHBondContact OG-CE1 3.28Å; S513-H532 PolarHBondContact OG-NE2 2.88Å; S513-H532 VanDerWaalsContact OG-NE2 3.09Å
514C96Very high91.5Very high13 Ų1362.1 Ų62.19%0.08837%0.365CS..SBendtrans-91.9156.8177.1-59.90000111I511 P512 Y525 C528I511-C514 HydrophobicContact CB-CB 4.05Å; I511-C514 VanDerWaalsContact CB-SG 3.58Å; I511-C514 HydrophobicContact CG2-CB 4.33Å; I511-C514 VanDerWaalsContact CG2-SG 3.51Å; I511-C514 PolarHBondContact O-N 2.97Å; P512-C514 VanDerWaalsContact C-N 3.34Å; C514-Y525 HydrophobicContact CB-CD2 4.01Å; C514-Y525 HydrophobicContact CB-CE2 4.21Å; C514-C528 WeakPolarHBondContact CA-SG 3.25Å; C514-C528 HydrophobicContact CB-CB 3.73Å; C514-C528 WeakPolarHBondContact CB-SG 3.46Å; C514-C528 WeakPolarHBondContact SG-CB 3.37Å; C514-C528 CovalentContact SG-SG 2.03Å; C514-C528 PolarHBondContact SG-SG 3.19Å
515P94.9Very high91.9Very high58 Ų5861.6 Ų61.638%0.37736%0.361SS..PPolyproline II helixtrans-53.9148168.1-23.633.4000111V517 A524 Y525P515-V517 PolarHBondContact O-N 3.5Å; P515-A524 HydrophobicContact CG-CB 3.89Å; P515-Y525 VanDerWaalsContact O-CD2 3.25Å; P515-Y525 WeakPolarHBondContact O-CD2 3.31Å
516T91.5Very high92.2Very high116 Ų11659.5 Ų59.571%0.71234%0.343SS*.PPolyproline II helixtrans-54.1126.9175.3-51.60000110.6K518T516-K518 PolarHBondContact O-N 2.8Å
517V89.5Confident92.5Very high32 Ų3260.8 Ų60.819%0.19435%0.35CS..PPolyproline II helixtrans-65.4127.1178.767.40000110.1Y508 N510 P515 Y525Y508-V517 HydrophobicContact CD2-CG2 3.94Å; Y508-V517 HydrophobicContact CG-CG2 4.22Å; N510-V517 VanDerWaalsContact OD1-CG1 3.25Å; N510-V517 WeakPolarHBondContact OD1-CG1 3.46Å; P515-V517 PolarHBondContact O-N 3.5Å; V517-Y525 HydrophobicContact CB-CD2 4.11Å; V517-Y525 HydrophobicContact CB-CE1 4.42Å; V517-Y525 HydrophobicContact CB-CE2 3.78Å; V517-Y525 HydrophobicContact CG2-CD1 4.22Å; V517-Y525 HydrophobicContact CG2-CD2 4.47Å; V517-Y525 HydrophobicContact CG2-CE1 3.91Å; V517-Y525 HydrophobicContact CG2-CE2 4.19Å; V517-Y525 HydrophobicContact CG2-CG 4.49Å
518K88Confident92.9Very high161 Ų16159.9 Ų59.970%0.735%0.347SS*.  trans-130.7134.9168.8-66.3-176-179.4-178.60106.3T516 P520 A521T516-K518 PolarHBondContact O-N 2.8Å; K518-P520 CarbonylContact O-C 2.99Å; K518-A521 WeakPolarHBondContact O-CA 3.49Å; K518-A521 PolarHBondContact O-N 2.71Å
519L84.6Confident93.1Very high122 Ų12259 Ų5964%0.63934%0.344SS*.SBendtrans-90.7135.5179.8-69177.3000111Y508Y508-L519 HydrophobicContact CD2-CD2 3.61Å; Y508-L519 HydrophobicContact CE2-CD2 3.72Å
520P87.9Confident93.5Very high107 Ų10758.8 Ų58.870%0.69534%0.342SS*.SBendcis-65.1145.4-8.630.2-35.5000111.5K518K518-P520 CarbonylContact O-C 2.99Å
521A93.1Very high93.8Very high4 Ų456 Ų563%0.03333%0.325CS..PPolyproline II helixtrans-55.6150.6-172.800000112.3R488 E491 Y508 K518 Y525 I526R488-A521 PolarHBondContact NH1-O 3.17Å; R488-A521 PolarHBondContact NH2-O 2.81Å; E491-A521 WeakPolarHBondContact OE1-CB 3.5Å; E491-A521 PolarHBondContact OE1-N 3.25Å; Y508-A521 HydrophobicContact CD2-CB 4.4Å; Y508-A521 HydrophobicContact CE2-CB 3.88Å; K518-A521 WeakPolarHBondContact O-CA 3.49Å; K518-A521 PolarHBondContact O-N 2.71Å; A521-Y525 HydrophobicContact CB-CD1 3.74Å; A521-Y525 HydrophobicContact CB-CE1 4.48Å; A521-I526 HydrophobicContact CB-CD1 4.13Å; A521-I526 HydrophobicContact CB-CG1 3.84Å
522S95.4Very high93.9Very high51 Ų5156.6 Ų56.636%0.35733%0.327SS..PPolyproline II helixtrans-74.4156.6170.170.40000110.7A524 Y525 I526S522-A524 PolarHBondContact O-N 3.15Å; S522-Y525 PolarHBondContact O-N 2.89Å; S522-Y525 VanDerWaalsContact O-N 3.16Å; S522-Y525 WeakPolarHBondContact OG-CB 3.31Å; S522-Y525 PolarHBondContact OG-N 3.05Å; S522-I526 PolarHBondContact O-N 3.4Å; S522-I526 VanDerWaalsContact O-N 3.07Å
523E95Very high94.1Very high159 Ų15952 Ų5274%0.74330%0.296SS*.Hα-helixtrans-60.8-37.8175.4-67.4-171156.600111.5Y525 I526 D527E523-Y525 VanDerWaalsContact C-N 3.32Å; E523-Y525 PolarHBondContact O-N 3.41Å; E523-I526 PolarHBondContact O-N 3.41Å; E523-D527 PolarHBondContact O-N 3.31Å
524A96Very high94.3Very high59 Ų5948.3 Ų48.349%0.48827%0.271SS..Hα-helixtrans-62.4-38175.500000112.3P515 S522 C528P515-A524 HydrophobicContact CG-CB 3.89Å; S522-A524 PolarHBondContact O-N 3.15Å; A524-C528 VanDerWaalsContact O-CB 3.3Å; A524-C528 WeakPolarHBondContact O-CB 3.36Å; A524-C528 PolarHBondContact O-N 3.25Å
525Y97.1Very high94.3Very high1 Ų148 Ų480%0.00427%0.268CS..Hα-helixtrans-65.1-45.4173.1177.9-94000111.6Y508 P509 C514 P515 V517 A521 S522 E523 C528 L529Y508-Y525 VanDerWaalsContact CB-OH 3.32Å; Y508-Y525 WeakPolarHBondContact CB-OH 3.25Å; Y508-Y525 AromaticContact CD1-CE1 3.77Å; Y508-Y525 HydrophobicContact CD1-CE1 3.77Å; Y508-Y525 HydrophobicContact CD2-CE1 4.12Å; Y508-Y525 HydrophobicContact CE1-CE1 4.32Å; Y508-Y525 AromaticContact CG-CE1 3.68Å; Y508-Y525 HydrophobicContact CG-CE1 3.68Å; P509-Y525 WeakPolarHBondContact CD-OH 3.37Å; P509-Y525 PolarHBondContact O-OH 2.86Å; C514-Y525 HydrophobicContact CB-CD2 4.01Å; C514-Y525 HydrophobicContact CB-CE2 4.21Å; P515-Y525 VanDerWaalsContact O-CD2 3.25Å; P515-Y525 WeakPolarHBondContact O-CD2 3.31Å; V517-Y525 HydrophobicContact CB-CD2 4.11Å; V517-Y525 HydrophobicContact CB-CE1 4.42Å; V517-Y525 HydrophobicContact CB-CE2 3.78Å; V517-Y525 HydrophobicContact CG2-CD1 4.22Å; V517-Y525 HydrophobicContact CG2-CD2 4.47Å; V517-Y525 HydrophobicContact CG2-CE1 3.91Å; V517-Y525 HydrophobicContact CG2-CE2 4.19Å; V517-Y525 HydrophobicContact CG2-CG 4.49Å; A521-Y525 HydrophobicContact CB-CD1 3.74Å; A521-Y525 HydrophobicContact CB-CE1 4.48Å; S522-Y525 PolarHBondContact O-N 2.89Å; S522-Y525 VanDerWaalsContact O-N 3.16Å; S522-Y525 WeakPolarHBondContact OG-CB 3.31Å; S522-Y525 PolarHBondContact OG-N 3.05Å; E523-Y525 VanDerWaalsContact C-N 3.32Å; E523-Y525 PolarHBondContact O-N 3.41Å; Y525-C528 WeakPolarHBondContact O-CB 3.31Å; Y525-C528 PolarHBondContact O-N 2.9Å; Y525-L529 HydrophobicContact CE1-CB 4.23Å; Y525-L529 HydrophobicContact CE1-CD2 4.22Å; Y525-L529 WeakPolarHBondContact O-CB 3.48Å; Y525-L529 PolarHBondContact O-N 3.04Å
526I97.2Very high94.3Very high1 Ų145.6 Ų45.61%0.00525%0.253CS..Hα-helixtrans-66.1-42.8-179.1-66.1-177.6000112.1A484 V487 R488 A521 S522 E523 C528 L529 V530A484-I526 HydrophobicContact CB-CG2 3.6Å; V487-I526 HydrophobicContact CB-CD1 4.43Å; V487-I526 HydrophobicContact CB-CG2 3.85Å; V487-I526 HydrophobicContact CG1-CD1 3.9Å; V487-I526 HydrophobicContact CG1-CG1 4.18Å; V487-I526 HydrophobicContact CG1-CG2 4Å; V487-I526 HydrophobicContact CG2-CG2 4.23Å; R488-I526 VanDerWaalsContact CD-CD1 3.49Å; R488-I526 HydrophobicContact CG-CD1 4Å; R488-I526 VanDerWaalsContact NE-CD1 3.34Å; R488-I526 VanDerWaalsContact NH1-CD1 3.34Å; A521-I526 HydrophobicContact CB-CD1 4.13Å; A521-I526 HydrophobicContact CB-CG1 3.84Å; S522-I526 PolarHBondContact O-N 3.4Å; S522-I526 VanDerWaalsContact O-N 3.07Å; E523-I526 PolarHBondContact O-N 3.41Å; I526-C528 VanDerWaalsContact C-N 3.26Å; I526-C528 PolarHBondContact O-N 2.82Å; I526-L529 PolarHBondContact O-N 3.26Å; I526-V530 HydrophobicContact CG2-CG2 4.3Å; I526-V530 WeakPolarHBondContact O-CB 3.46Å; I526-V530 VanDerWaalsContact O-CG2 3.27Å; I526-V530 WeakPolarHBondContact O-CG2 3.47Å; I526-V530 PolarHBondContact O-N 2.92Å
527D96.5Very high94.4Very high46 Ų4640.6 Ų40.625%0.24622%0.224CC..Hα-helixtrans-58-44.1175-171.297.3000110.5V480 E523 V530 R531V480-D527 WeakPolarHBondContact CG1-OD1 3.46Å; E523-D527 PolarHBondContact O-N 3.31Å; D527-V530 PolarHBondContact O-N 2.93Å; D527-R531 WeakPolarHBondContact O-CG 3.36Å; D527-R531 PolarHBondContact O-N 2.97Å; D527-R531 IonicContact OD1-NH2 3.9Å; D527-R531 IonicContact OD2-CZ 3.84Å; D527-R531 IonicContact OD2-NE 2.64Å; D527-R531 PolarHBondContact OD2-NE 2.73Å; D527-R531 IonicContact OD2-NH2 3.71Å
528C97.1Very high94.3Very high18 Ų1842.6 Ų42.612%0.12223%0.231CC..Hα-helixtrans-63.8-50.1176.8-1700000111.8C514 A524 Y525 I526 V530 R531 H532C514-C528 WeakPolarHBondContact CA-SG 3.25Å; C514-C528 HydrophobicContact CB-CB 3.73Å; C514-C528 WeakPolarHBondContact CB-SG 3.46Å; C514-C528 WeakPolarHBondContact SG-CB 3.37Å; C514-C528 CovalentContact SG-SG 2.03Å; C514-C528 PolarHBondContact SG-SG 3.19Å; A524-C528 VanDerWaalsContact O-CB 3.3Å; A524-C528 WeakPolarHBondContact O-CB 3.36Å; A524-C528 PolarHBondContact O-N 3.25Å; Y525-C528 WeakPolarHBondContact O-CB 3.31Å; Y525-C528 PolarHBondContact O-N 2.9Å; I526-C528 VanDerWaalsContact C-N 3.26Å; I526-C528 PolarHBondContact O-N 2.82Å; C528-V530 VanDerWaalsContact C-N 3.3Å; C528-V530 PolarHBondContact O-N 3.47Å; C528-R531 PolarHBondContact O-N 2.81Å; C528-R531 VanDerWaalsContact O-N 3.08Å; C528-H532 WeakPolarHBondContact O-CB 3.5Å; C528-H532 PolarHBondContact O-CD2 3.5Å; C528-H532 PolarHBondContact O-N 3.31Å; C528-H532 VanDerWaalsContact SG-CD2 3.58Å
529L96.8Very high94.6Very high2 Ų236.3 Ų36.31%0.0120%0.204CC..Hα-helixtrans-51.6-48.7175.6176.372000111.5L345 Y508 P509 I511 Y525 I526 R531 H532 M533L345-L529 HydrophobicContact CD2-CD2 3.95Å; Y508-L529 HydrophobicContact CD1-CD2 3.65Å; Y508-L529 HydrophobicContact CE1-CD2 3.47Å; Y508-L529 VanDerWaalsContact CE1-CD2 3.47Å; P509-L529 HydrophobicContact CG-CD1 3.6Å; I511-L529 HydrophobicContact CD1-CD1 3.97Å; Y525-L529 HydrophobicContact CE1-CB 4.23Å; Y525-L529 HydrophobicContact CE1-CD2 4.22Å; Y525-L529 WeakPolarHBondContact O-CB 3.48Å; Y525-L529 PolarHBondContact O-N 3.04Å; I526-L529 PolarHBondContact O-N 3.26Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 3.2Å; L529-H532 PolarHBondContact O-N 3.42Å; L529-M533 HydrophobicContact CD1-CB 4.45Å; L529-M533 HydrophobicContact CD1-CG 3.64Å; L529-M533 HydrophobicContact CG-CG 4.44Å; L529-M533 WeakPolarHBondContact O-CB 3.44Å; L529-M533 PolarHBondContact O-N 3Å
530V97.6Very high95.1Very high0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-58.9-42.8-179.9167.60000111V343 L474 V480 L483 V487 I526 D527 C528 A534V343-V530 HydrophobicContact CG2-CB 4.42Å; V343-V530 HydrophobicContact CG2-CG1 4.29Å; V343-V530 HydrophobicContact CG2-CG2 4.28Å; L474-V530 HydrophobicContact CD1-CG1 3.73Å; L474-V530 HydrophobicContact CD2-CG1 4.41Å; V480-V530 HydrophobicContact CG1-CG1 4.23Å; L483-V530 HydrophobicContact CB-CG1 3.86Å; L483-V530 HydrophobicContact CB-CG2 4.15Å; L483-V530 HydrophobicContact CD1-CG1 3.88Å; V487-V530 HydrophobicContact CG2-CG2 4.22Å; I526-V530 HydrophobicContact CG2-CG2 4.3Å; I526-V530 WeakPolarHBondContact O-CB 3.46Å; I526-V530 VanDerWaalsContact O-CG2 3.27Å; I526-V530 WeakPolarHBondContact O-CG2 3.47Å; I526-V530 PolarHBondContact O-N 2.92Å; D527-V530 PolarHBondContact O-N 2.93Å; C528-V530 VanDerWaalsContact C-N 3.3Å; C528-V530 PolarHBondContact O-N 3.47Å; V530-A534 WeakPolarHBondContact O-CB 3.28Å; V530-A534 PolarHBondContact O-N 3.39Å
531R97.3Very high95.6Very high32 Ų3226.2 Ų26.212%0.12115%0.145CC..Hα-helixtrans-69.5-34.7178.6-66.4174.5-175.7-72.1-2.9113.4A107 A108 L109 L474 M477 D527 C528 L529A107-R531 CarbonylContact C-O 3.56Å; A107-R531 WeakPolarHBondContact CA-O 3.19Å; A108-R531 PolarHBondContact N-O 3.07Å; L109-R531 HydrophobicContact CD1-CB 4.16Å; L109-R531 PolarHBondContact N-O 2.8Å; L474-R531 HydrophobicContact CD1-CG 4.41Å; M477-R531 VanDerWaalsContact CE-NH2 3.28Å; M477-R531 PolarHBondContact SD-NH2 3.04Å; D527-R531 WeakPolarHBondContact O-CG 3.36Å; D527-R531 PolarHBondContact O-N 2.97Å; D527-R531 IonicContact OD1-NH2 3.9Å; D527-R531 IonicContact OD2-CZ 3.84Å; D527-R531 IonicContact OD2-NE 2.64Å; D527-R531 PolarHBondContact OD2-NE 2.73Å; D527-R531 IonicContact OD2-NH2 3.71Å; C528-R531 PolarHBondContact O-N 2.81Å; C528-R531 VanDerWaalsContact O-N 3.08Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 3.2Å
532H96.4Very high95.9Very high18 Ų1826 Ų268%0.08314%0.144CC..Hα-helixtrans-78-39.1-176.8-84.3-96.1000112.2L109 E110 I511 S513 C528 L529L109-H532 PolarHBondContact N-O 3Å; E110-H532 HydrophobicContact CG-CB 3.84Å; E110-H532 PolarHBondContact N-O 3.37Å; E110-H532 IonicContact OE1-CE1 3.29Å; E110-H532 PolarHBondContact OE1-CE1 3.27Å; E110-H532 IonicContact OE1-CG 2.71Å; E110-H532 IonicContact OE1-ND1 3.86Å; E110-H532 PolarHBondContact OE1-ND1 3.31Å; I511-H532 HydrophobicContact CD1-CB 3.74Å; I511-H532 HydrophobicContact CG2-CB 4.49Å; S513-H532 PolarHBondContact OG-CE1 3.28Å; S513-H532 PolarHBondContact OG-NE2 2.88Å; S513-H532 VanDerWaalsContact OG-NE2 3.09Å; C528-H532 WeakPolarHBondContact O-CB 3.5Å; C528-H532 PolarHBondContact O-CD2 3.5Å; C528-H532 PolarHBondContact O-N 3.31Å; C528-H532 VanDerWaalsContact SG-CD2 3.58Å; L529-H532 PolarHBondContact O-N 3.42Å
533M95.2Very high96Very high14 Ų1423.6 Ų23.67%0.06913%0.127CC..Hα-helixtrans-105.9-4.4-171-57-57.1-64.200114.7E110 V343 F420 V424 P509 I511 L529 T535E110-M533 HydrophobicContact CB-SD 4.33Å; E110-M533 HydrophobicContact CG-SD 4.31Å; V343-M533 HydrophobicContact CG1-CB 4.15Å; F420-M533 HydrophobicContact CD1-CE 4.29Å; F420-M533 HydrophobicContact CE1-CE 3.65Å; F420-M533 HydrophobicContact CE1-SD 3.88Å; F420-M533 HydrophobicContact CE2-CE 4.4Å; F420-M533 HydrophobicContact CZ-CE 3.72Å; F420-M533 HydrophobicContact CZ-SD 4.43Å; V424-M533 HydrophobicContact CG1-CE 3.91Å; V424-M533 HydrophobicContact CG1-SD 4.26Å; P509-M533 HydrophobicContact CG-CG 4.5Å; I511-M533 HydrophobicContact CD1-CG 4.28Å; L529-M533 HydrophobicContact CD1-CB 4.45Å; L529-M533 HydrophobicContact CD1-CG 3.64Å; L529-M533 HydrophobicContact CG-CG 4.44Å; L529-M533 WeakPolarHBondContact O-CB 3.44Å; L529-M533 PolarHBondContact O-N 3Å; M533-T535 PolarHBondContact O-N 3.46Å
534A96.8Very high96.2Very high0 Ų016 Ų160%09%0.091CC..  trans-63.5132.6179.500000112.5A107 V341 S342 V343 L474 V530A107-A534 HydrophobicContact CB-CB 4.36Å; V341-A534 HydrophobicContact CG1-CB 3.9Å; S342-A534 CarbonylContact O-C 3.52Å; S342-A534 VanDerWaalsContact O-CA 3.31Å; S342-A534 WeakPolarHBondContact O-CA 3.46Å; V343-A534 HydrophobicContact CG2-CB 4.11Å; L474-A534 HydrophobicContact CD1-CB 3.65Å; L474-A534 HydrophobicContact CG-CB 4.35Å; V530-A534 WeakPolarHBondContact O-CB 3.28Å; V530-A534 PolarHBondContact O-N 3.39Å
535T95.4Very high96.3Very high6 Ų613.5 Ų13.54%0.0377%0.07CC..EExtended strand (participates in β ladder)trans-130.1179177.2-167.60000110.8V116 S342 M533V116-T535 WeakPolarHBondContact CG1-OG1 3.49Å; S342-T535 PolarHBondContact N-O 3.42Å; S342-T535 PolarHBondContact O-N 2.74Å; M533-T535 PolarHBondContact O-N 3.46Å
536T95.2Very high96.3Very high9 Ų913.7 Ų13.76%0.0557%0.071CC..EExtended strand (participates in β ladder)trans-62.4144.9175.3175.50000111.2V116 H117 L118 D339 Y473 E538V116-T536 HydrophobicContact CG1-CG2 3.85Å; H117-T536 WeakPolarHBondContact O-CG2 3.47Å; L118-T536 HydrophobicContact CD2-CG2 4.35Å; D339-T536 PolarHBondContact OD2-OG1 3.28Å; Y473-T536 WeakPolarHBondContact OH-CB 3.4Å; T536-E538 VanDerWaalsContact C-N 3.33Å; T536-E538 HydrophobicContact CG2-CG 4.13Å; T536-E538 WeakPolarHBondContact OG1-CA 3.46Å; T536-E538 PolarHBondContact OG1-N 2.7Å
537G93.4Very high96.1Very high10 Ų1015.2 Ų15.210%0.1039%0.087CC..  trans-96.816.416500000113R340 S342 H539R340-G537 PolarHBondContact O-N 3.44Å; S342-G537 WeakPolarHBondContact OG-CA 3.38Å; G537-H539 VanDerWaalsContact C-N 3.29Å; G537-H539 PolarHBondContact O-CD2 2.86Å; G537-H539 PolarHBondContact O-N 2.94Å
538E89Confident96Very high74 Ų7414.8 Ų14.835%0.3469%0.088SC..SBendtrans61.925.3168.5-51.4-176.3150.100115.7R119 D339 T536R119-E538 WeakPolarHBondContact CD-OE1 3.39Å; R119-E538 IonicContact CZ-OE1 3Å; R119-E538 IonicContact NE-OE1 3.8Å; R119-E538 IonicContact NH1-OE1 3.84Å; R119-E538 PolarHBondContact NH1-OE1 3.37Å; R119-E538 IonicContact NH1-OE2 2.98Å; D339-E538 PolarHBondContact OD1-N 3.02Å; T536-E538 VanDerWaalsContact C-N 3.33Å; T536-E538 HydrophobicContact CG2-CG 4.13Å; T536-E538 WeakPolarHBondContact OG1-CA 3.46Å; T536-E538 PolarHBondContact OG1-N 2.7Å
539H93.6Very high96.1Very high30 Ų3014 Ų1414%0.1398%0.082CC..  trans-125.445.4-174.1-81.7-139.3000110.9D339 R340 G537 T541D339-H539 WeakPolarHBondContact OD1-CA 3.41Å; D339-H539 PolarHBondContact OD1-N 3.13Å; R340-H539 HydrophobicContact CB-CB 4.27Å; R340-H539 HydrophobicContact CG-CB 3.86Å; R340-H539 PolarHBondContact NE-ND1 3.17Å; R340-H539 PolarHBondContact NH1-CE1 3.45Å; R340-H539 PolarHBondContact NH1-ND1 3.27Å; G537-H539 VanDerWaalsContact C-N 3.29Å; G537-H539 PolarHBondContact O-CD2 2.86Å; G537-H539 PolarHBondContact O-N 2.94Å; H539-T541 PolarHBondContact O-N 3.31Å
540L96.2Very high96.2Very high16 Ų1613.9 Ų13.98%0.0848%0.081CC..  trans-55.4131.4175.2-70.2159.2000110.9L118 V120 A302 I303 M337 Y338 D339 E567L118-L540 HydrophobicContact CB-CD1 4.29Å; L118-L540 HydrophobicContact CD1-CD1 4Å; L118-L540 HydrophobicContact CD1-CD2 4.47Å; L118-L540 HydrophobicContact CD2-CD1 4.26Å; L118-L540 HydrophobicContact CG-CD1 4.42Å; V120-L540 HydrophobicContact CG2-CD1 4.16Å; A302-L540 HydrophobicContact CB-CB 4.16Å; A302-L540 WeakPolarHBondContact CB-O 3.25Å; I303-L540 HydrophobicContact CD1-CD1 4.07Å; M337-L540 HydrophobicContact CE-CB 4.35Å; M337-L540 HydrophobicContact CE-CD2 3.66Å; M337-L540 HydrophobicContact CE-CG 4.45Å; M337-L540 HydrophobicContact CG-CD2 4.19Å; M337-L540 HydrophobicContact SD-CD2 3.75Å; Y338-L540 CarbonylContact O-C 2.92Å; Y338-L540 VanDerWaalsContact O-CA 3.3Å; Y338-L540 WeakPolarHBondContact O-CA 3.38Å; D339-L540 HydrophobicContact CB-CD2 3.71Å; D339-L540 HydrophobicContact CB-CG 4.17Å; D339-L540 PolarHBondContact OD1-N 2.92Å; D339-L540 WeakPolarHBondContact OD2-CD2 3.46Å; D339-L540 WeakPolarHBondContact OD2-CG 3.39Å; L540-E567 WeakPolarHBondContact O-CG 3.31Å
541T97.9Very high96.1Very high1 Ų116.4 Ų16.41%0.00610%0.095CC..BIsolated β-bridgetrans-156.4177.1-170.4-176.90000112.2M337 Y338 H539 T543 E567 F570 T573M337-T541 WeakPolarHBondContact CA-O 2.95Å; Y338-T541 PolarHBondContact N-O 3.46Å; Y338-T541 VanDerWaalsContact N-O 3.12Å; Y338-T541 WeakPolarHBondContact O-CG2 3.4Å; Y338-T541 PolarHBondContact O-N 3.26Å; H539-T541 PolarHBondContact O-N 3.31Å; T541-T543 VanDerWaalsContact C-N 3.34Å; T541-T543 PolarHBondContact O-N 3.31Å; T541-E567 PolarHBondContact OG1-O 2.96Å; T541-F570 WeakPolarHBondContact OG1-CB 3.49Å; T541-T573 HydrophobicContact CG2-CG2 3.87Å
542S98.2Very high96Very high0 Ų017.2 Ų17.20%010%0.102CC..  trans69.217.6166.1-47.60000117.3R336 P545 E567 S568 F570 P571 T572R336-S542 CarbonylContact C-O 3.41Å; R336-S542 CarbonylContact O-C 3.56Å; S542-P545 VanDerWaalsContact O-CD 3.25Å; S542-P545 WeakPolarHBondContact O-CD 3.23Å; S542-P545 WeakPolarHBondContact O-CG 3.47Å; S542-E567 PolarHBondContact N-O 3.2Å; S542-S568 CarbonylContact C-O 3.59Å; S542-S568 VanDerWaalsContact CA-O 3.27Å; S542-S568 WeakPolarHBondContact CA-O 2.94Å; S542-S568 PolarHBondContact N-O 3.25Å; S542-F570 WeakPolarHBondContact CA-O 3.3Å; S542-F570 WeakPolarHBondContact CB-O 3Å; S542-F570 PolarHBondContact OG-O 3.28Å; S542-P571 VanDerWaalsContact OG-C 3.28Å; S542-P571 PolarHBondContact OG-O 2.89Å; S542-T572 PolarHBondContact OG-N 2.86Å
543T98.5Very high95.9Very high0 Ų019.4 Ų19.40%011%0.114CC..SBendtrans-79.1-17.3177.356.90000113.8A302 V333 G334 R336 M337 M455 T541 S568A302-T543 HydrophobicContact CB-CG2 4.25Å; A302-T543 WeakPolarHBondContact O-CB 3.28Å; A302-T543 PolarHBondContact O-OG1 3.21Å; V333-T543 CarbonylContact C-O 3.58Å; V333-T543 WeakPolarHBondContact CA-O 3.44Å; G334-T543 PolarHBondContact N-O 2.96Å; R336-T543 WeakPolarHBondContact O-CA 3.49Å; M337-T543 HydrophobicContact CB-CG2 4.17Å; M337-T543 HydrophobicContact CE-CG2 3.77Å; M337-T543 HydrophobicContact CG-CG2 4.12Å; M455-T543 HydrophobicContact CB-CG2 4.27Å; T541-T543 VanDerWaalsContact C-N 3.34Å; T541-T543 PolarHBondContact O-N 3.31Å; T543-S568 PolarHBondContact N-O 3.36Å; T543-S568 WeakPolarHBondContact OG1-CB 3.39Å
544A98.4Very high96.1Very high0 Ų018.8 Ų18.80%011%0.111CC..SBendtrans-138.656.7172.700000111.2T305 L309 V549 I564 S568 V569T305-A544 HydrophobicContact CG2-CB 4.27Å; L309-A544 HydrophobicContact CD1-CB 4.01Å; A544-V549 HydrophobicContact CB-CB 4.25Å; A544-V549 HydrophobicContact CB-CG1 3.78Å; A544-I564 HydrophobicContact CB-CD1 3.89Å; A544-S568 CarbonylContact C-O 3.46Å; A544-S568 WeakPolarHBondContact CA-O 3.39Å; A544-S568 PolarHBondContact N-O 3.04Å; A544-V569 WeakPolarHBondContact O-CA 3.31Å
545P97.8Very high96.1Very high6 Ų621 Ų214%0.03912%0.121CC..  trans-71.9148.9-161.424-23.2000112.7S542 S548 V549 V550 V569S542-P545 VanDerWaalsContact O-CD 3.25Å; S542-P545 WeakPolarHBondContact O-CD 3.23Å; S542-P545 WeakPolarHBondContact O-CG 3.47Å; P545-S548 WeakPolarHBondContact CG-OG 3.37Å; P545-S548 PolarHBondContact O-N 2.98Å; P545-S548 PolarHBondContact O-OG 3.03Å; P545-V549 PolarHBondContact O-N 3.45Å; P545-V550 PolarHBondContact O-N 3.29Å; P545-V569 WeakPolarHBondContact CA-O 3.11Å
546I97.1Very high96.3Very high4 Ų420.7 Ų20.72%0.02112%0.119CC..BIsolated β-bridgetrans-56.7146.9171.3-170.1164.9000111.7T150 A152 W155 S548 V550 V569 P571T150-I546 HydrophobicContact CG2-CG2 4.13Å; A152-I546 HydrophobicContact CB-CD1 3.43Å; A152-I546 VanDerWaalsContact CB-CD1 3.43Å; A152-I546 HydrophobicContact CB-CG1 4.01Å; W155-I546 HydrophobicContact CD2-CD1 4.08Å; W155-I546 HydrophobicContact CG-CD1 4.44Å; W155-I546 HydrophobicContact CH2-CD1 4.45Å; W155-I546 HydrophobicContact CZ2-CD1 3.52Å; I546-S548 PolarHBondContact O-N 3.15Å; I546-V550 HydrophobicContact CB-CG2 3.88Å; I546-V550 HydrophobicContact CG1-CG2 4.19Å; I546-V569 WeakPolarHBondContact CG2-O 3.41Å; I546-V569 PolarHBondContact N-O 3.34Å; I546-P571 HydrophobicContact CG2-CG 3.58Å
547G94.1Very high96.4Very high34 Ų3423.3 Ų23.335%0.35113%0.13SC..THydrogen-bonded Turntrans83-23.7-176.800000113.6V550 K557G547-V550 PolarHBondContact N-O 2.89Å; G547-K557 VanDerWaalsContact C-NZ 3.27Å; G547-K557 WeakPolarHBondContact O-CE 3.36Å; G547-K557 PolarHBondContact O-NZ 3.46Å
548S95Very high96.4Very high37 Ų3733.3 Ų33.326%0.25916%0.164SC..THydrogen-bonded Turntrans-119.5-35.7175.955.90000115.1P545 I546P545-S548 WeakPolarHBondContact CG-OG 3.37Å; P545-S548 PolarHBondContact O-N 2.98Å; P545-S548 PolarHBondContact O-OG 3.03Å; I546-S548 PolarHBondContact O-N 3.15Å
549V98.2Very high96.7Very high0 Ų030.7 Ų30.70%015%0.153CC..THydrogen-bonded Turntrans-111.4-41.4179176.40000111.2L309 L331 P332 V333 A544 P545 L556 K557 I564L309-V549 HydrophobicContact CD1-CG1 4.33Å; L331-V549 HydrophobicContact CD1-CG1 4.48Å; P332-V549 HydrophobicContact CG-CG2 4.04Å; V333-V549 HydrophobicContact CG2-CG1 3.87Å; V333-V549 HydrophobicContact CG2-CG2 4Å; A544-V549 HydrophobicContact CB-CB 4.25Å; A544-V549 HydrophobicContact CB-CG1 3.78Å; P545-V549 PolarHBondContact O-N 3.45Å; V549-L556 HydrophobicContact CG1-CD1 3.84Å; V549-K557 WeakPolarHBondContact O-CB 3.38Å; V549-K557 WeakPolarHBondContact O-CG 3.24Å; V549-K557 PolarHBondContact O-N 2.67Å; V549-I564 HydrophobicContact CG1-CD1 4.4Å
550V98.2Very high96.9Very high0 Ų038.2 Ų38.20%018%0.18CC..BIsolated β-bridgetrans-113.9156.9173.4-57.20000112.9P545 I546 G547 L554 K555 K557 I564 V569P545-V550 PolarHBondContact O-N 3.29Å; I546-V550 HydrophobicContact CB-CG2 3.88Å; I546-V550 HydrophobicContact CG1-CG2 4.19Å; G547-V550 PolarHBondContact N-O 2.89Å; V550-L554 HydrophobicContact CG2-CD2 4.39Å; V550-K555 CarbonylContact C-O 3.52Å; V550-K555 WeakPolarHBondContact CA-O 3.39Å; V550-K555 WeakPolarHBondContact CB-O 2.99Å; V550-K557 WeakPolarHBondContact O-CE 3.43Å; V550-I564 HydrophobicContact CG1-CB 3.99Å; V550-I564 HydrophobicContact CG1-CD1 3.51Å; V550-I564 HydrophobicContact CG1-CG1 3.81Å; V550-V569 HydrophobicContact CG2-CB 4.1Å; V550-V569 HydrophobicContact CG2-CG1 4.11Å
551D96.3Very high96.9Very high53 Ų5337.9 Ų37.928%0.28318%0.181SC..  trans-85.4-177.7172.66917.3000112.9N553 L554 K555D551-N553 PolarHBondContact O-N 2.83Å; D551-N553 VanDerWaalsContact O-N 3.15Å; D551-N553 VanDerWaalsContact OD1-C 3.24Å; D551-N553 VanDerWaalsContact OD1-CA 3.31Å; D551-N553 WeakPolarHBondContact OD1-CA 3.25Å; D551-N553 WeakPolarHBondContact OD1-CB 3.27Å; D551-N553 PolarHBondContact OD1-N 3.47Å; D551-L554 PolarHBondContact O-N 3.42Å; D551-L554 PolarHBondContact OD1-N 3.04Å; D551-K555 PolarHBondContact N-O 3.24Å; D551-K555 PolarHBondContact OD1-N 3.22Å
552D94.4Very high97Very high50 Ų5038 Ų3827%0.26718%0.182SC..THydrogen-bonded Turntrans-59.9-23.2179.9-169.930.5000113.3A152 G154 L554 R588A152-D552 VanDerWaalsContact C-OD1 3.24Å; A152-D552 VanDerWaalsContact CA-OD1 3.27Å; A152-D552 WeakPolarHBondContact CA-OD1 3.04Å; A152-D552 HydrophobicContact CB-CB 4.49Å; A152-D552 VanDerWaalsContact CB-OD1 3.3Å; A152-D552 WeakPolarHBondContact CB-OD1 3.27Å; G154-D552 PolarHBondContact N-OD1 2.95Å; G154-D552 PolarHBondContact N-OD2 2.69Å; G154-D552 VanDerWaalsContact N-OD2 3.15Å; D552-L554 VanDerWaalsContact C-N 3.34Å; D552-R588 PolarHBondContact O-NH1 2.72Å; D552-R588 PolarHBondContact O-NH2 3Å; D552-R588 IonicContact OD1-NH2 3.92Å; D552-R588 PolarHBondContact OD1-NH2 3.28Å
553N95.6Very high97Very high64 Ų6438 Ų3834%0.34218%0.182SC..THydrogen-bonded Turntrans-95.616176.8-63.7-42.7000112D551 K555 R563 L592D551-N553 PolarHBondContact O-N 2.83Å; D551-N553 VanDerWaalsContact O-N 3.15Å; D551-N553 VanDerWaalsContact OD1-C 3.24Å; D551-N553 VanDerWaalsContact OD1-CA 3.31Å; D551-N553 WeakPolarHBondContact OD1-CA 3.25Å; D551-N553 WeakPolarHBondContact OD1-CB 3.27Å; D551-N553 PolarHBondContact OD1-N 3.47Å; N553-K555 PolarHBondContact O-N 2.91Å; N553-K555 VanDerWaalsContact O-N 3.13Å; N553-R563 PolarHBondContact O-NH1 2.88Å; N553-L592 HydrophobicContact CB-CD1 4.5Å
554L97.9Very high97Very high0 Ų038 Ų380%018%0.182CC..SBendtrans65.99.3178-61.5171.2000114.8W155 V550 D551 D552 R563 I564 V565 V569 L585 A589W155-L554 HydrophobicContact CZ2-CD2 3.69Å; V550-L554 HydrophobicContact CG2-CD2 4.39Å; D551-L554 PolarHBondContact O-N 3.42Å; D551-L554 PolarHBondContact OD1-N 3.04Å; D552-L554 VanDerWaalsContact C-N 3.34Å; L554-R563 HydrophobicContact CB-CG 3.7Å; L554-R563 WeakPolarHBondContact O-CA 3.3Å; L554-R563 WeakPolarHBondContact O-CG 3.29Å; L554-I564 WeakPolarHBondContact CB-O 3.48Å; L554-I564 PolarHBondContact O-N 3.36Å; L554-V565 HydrophobicContact CD1-CG1 4.35Å; L554-V565 HydrophobicContact CD1-CG2 4.08Å; L554-V569 HydrophobicContact CD2-CB 4.24Å; L554-V569 HydrophobicContact CD2-CG1 4.37Å; L554-V569 HydrophobicContact CD2-CG2 3.79Å; L554-L585 HydrophobicContact CD1-CD1 3.95Å; L554-L585 HydrophobicContact CD1-CG 4.37Å; L554-L585 HydrophobicContact CD2-CD1 4.24Å; L554-A589 HydrophobicContact CD1-CB 3.82Å
555K98.1Very high97Very high46 Ų4638 Ų3820%0.218%0.182CC..BIsolated β-bridgetrans-80.5143.3179.3-63.6-179.8-176.8171.90110.7V550 D551 N553 K557 E596V550-K555 CarbonylContact C-O 3.52Å; V550-K555 WeakPolarHBondContact CA-O 3.39Å; V550-K555 WeakPolarHBondContact CB-O 2.99Å; D551-K555 PolarHBondContact N-O 3.24Å; D551-K555 PolarHBondContact OD1-N 3.22Å; N553-K555 PolarHBondContact O-N 2.91Å; N553-K555 VanDerWaalsContact O-N 3.13Å; K555-K557 PolarHBondContact O-N 2.95Å; K555-E596 WeakPolarHBondContact CE-OE1 3.17Å; K555-E596 WeakPolarHBondContact CE-OE2 3.16Å; K555-E596 IonicContact NZ-OE1 2.62Å; K555-E596 PolarHBondContact NZ-OE1 3.47Å; K555-E596 IonicContact NZ-OE2 3.71Å; K555-E596 PolarHBondContact NZ-OE2 3.04Å
556L98.4Very high97Very high1 Ų137.8 Ų37.81%0.00518%0.181CC..BIsolated β-bridgetrans-59.5122.1173.4-176.462.6000109.9L309 Y314 L331 V549 R558 T559 V562 I564L309-L556 HydrophobicContact CD2-CD1 4.08Å; L309-L556 HydrophobicContact CD2-CD2 3.85Å; Y314-L556 HydrophobicContact CD1-CD2 3.76Å; Y314-L556 HydrophobicContact CD1-CG 4.48Å; Y314-L556 HydrophobicContact CD2-CD2 4.04Å; Y314-L556 HydrophobicContact CE1-CD2 3.93Å; Y314-L556 HydrophobicContact CE2-CD2 4.16Å; Y314-L556 HydrophobicContact CG-CD2 3.84Å; L331-L556 HydrophobicContact CD1-CD1 3.6Å; L331-L556 HydrophobicContact CD1-CG 4.28Å; V549-L556 HydrophobicContact CG1-CD1 3.84Å; L556-R558 PolarHBondContact O-N 2.92Å; L556-T559 HydrophobicContact CD2-CG2 4.02Å; L556-T559 PolarHBondContact O-N 3.25Å; L556-T559 VanDerWaalsContact O-N 3.09Å; L556-T559 VanDerWaalsContact O-O 3.08Å; L556-V562 HydrophobicContact CB-CB 4.01Å; L556-V562 HydrophobicContact CB-CG1 4.19Å; L556-V562 HydrophobicContact CD2-CB 4.21Å; L556-V562 HydrophobicContact CD2-CG1 4.19Å; L556-V562 PolarHBondContact N-O 2.86Å; L556-I564 HydrophobicContact CD1-CD1 4.46Å
557K97.2Very high97.1Very high64 Ų6439 Ų3928%0.27819%0.186SC..THydrogen-bonded Turntrans-58.7130-170.1-81.2-171.2173.3-154.10112.4L331 G547 V549 V550 K555 T559L331-K557 HydrophobicContact CD2-CB 4.35Å; G547-K557 VanDerWaalsContact C-NZ 3.27Å; G547-K557 WeakPolarHBondContact O-CE 3.36Å; G547-K557 PolarHBondContact O-NZ 3.46Å; V549-K557 WeakPolarHBondContact O-CB 3.38Å; V549-K557 WeakPolarHBondContact O-CG 3.24Å; V549-K557 PolarHBondContact O-N 2.67Å; V550-K557 WeakPolarHBondContact O-CE 3.43Å; K555-K557 PolarHBondContact O-N 2.95Å; K557-T559 PolarHBondContact O-N 3.29Å
558R93.7Very high97.3Very high219 Ų21937.3 Ų37.383%0.82617%0.169SC*.THydrogen-bonded Turntrans59.527.1177.9-51.2175.1177.2178.3-3112.7K329 L556K329-R558 VanDerWaalsContact CE-CD 3.47Å; L556-R558 PolarHBondContact O-N 2.92Å
559T96.6Very high97.4Very high19 Ų1935.6 Ų35.612%0.11716%0.157CC..  trans-133.9136.4175.3-64.60000108.9V274 Y314 L556 K557 V562V274-T559 HydrophobicContact CG2-CG2 3.63Å; Y314-T559 HydrophobicContact CE1-CG2 4.14Å; Y314-T559 WeakPolarHBondContact CE1-OG1 3.4Å; Y314-T559 WeakPolarHBondContact OH-CG2 3.36Å; L556-T559 HydrophobicContact CD2-CG2 4.02Å; L556-T559 PolarHBondContact O-N 3.25Å; L556-T559 VanDerWaalsContact O-N 3.09Å; L556-T559 VanDerWaalsContact O-O 3.08Å; K557-T559 PolarHBondContact O-N 3.29Å; T559-V562 HydrophobicContact CG2-CG2 4.25Å
560R96.5Very high97.4Very high188 Ų18835.6 Ų35.671%0.70916%0.157SC*.SBendtrans-97.3148.1175.3-63.6-177.3-179.5-173.90.3109.9V273 V274V273-R560 HydrophobicContact CB-CB 4.33Å; V273-R560 HydrophobicContact CG1-CB 3.94Å; V273-R560 WeakPolarHBondContact CG1-O 3.1Å; V273-R560 HydrophobicContact CG2-CB 3.95Å; V274-R560 PolarHBondContact N-O 3.2Å; V274-R560 VanDerWaalsContact N-O 3.08Å
561G97.3Very high97.3Very high10 Ų1036.7 Ų36.710%0.10316%0.164CC..SBendtrans86.76.1173.500000115.4I296I296-G561 PolarHBondContact N-O 3.33Å
562V98.6Very high97.3Very high3 Ų336.8 Ų36.82%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-131.8128.9179.2-1710000111L265 V274 I296 L298 L556 T559L265-V562 HydrophobicContact CD1-CB 4.44Å; L265-V562 HydrophobicContact CD1-CG1 3.68Å; L265-V562 HydrophobicContact CD1-CG2 3.83Å; V274-V562 HydrophobicContact CB-CG2 3.62Å; V274-V562 HydrophobicContact CG1-CG2 3.62Å; V274-V562 HydrophobicContact CG2-CG2 3.99Å; I296-V562 WeakPolarHBondContact O-CA 3.41Å; L298-V562 HydrophobicContact CD1-CG1 4.41Å; L298-V562 HydrophobicContact CG-CG1 4.43Å; L556-V562 HydrophobicContact CB-CB 4.01Å; L556-V562 HydrophobicContact CB-CG1 4.19Å; L556-V562 HydrophobicContact CD2-CB 4.21Å; L556-V562 HydrophobicContact CD2-CG1 4.19Å; L556-V562 PolarHBondContact N-O 2.86Å; T559-V562 HydrophobicContact CG2-CG2 4.25Å
563R98.6Very high97.4Very high0 Ų034.6 Ų34.60%016%0.155CC..EExtended strand (participates in β ladder)trans-125.7152.2172.2-165.8177.3-61.6-119.24.8110E295 I296 I297 L298 N553 L554 V565 E596E295-R563 IonicContact OE1-NH2 3.74Å; E295-R563 PolarHBondContact OE1-NH2 3.01Å; E295-R563 IonicContact OE2-CZ 3.54Å; E295-R563 IonicContact OE2-NE 2.74Å; E295-R563 PolarHBondContact OE2-NE 3.37Å; E295-R563 IonicContact OE2-NH2 3.94Å; E295-R563 PolarHBondContact OE2-NH2 3.47Å; I296-R563 PolarHBondContact O-N 3.4Å; I297-R563 CarbonylContact C-O 3.58Å; I297-R563 WeakPolarHBondContact CA-O 3.24Å; I297-R563 HydrophobicContact CG1-CB 4.48Å; L298-R563 PolarHBondContact N-O 3.08Å; N553-R563 PolarHBondContact O-NH1 2.88Å; L554-R563 HydrophobicContact CB-CG 3.7Å; L554-R563 WeakPolarHBondContact O-CA 3.3Å; L554-R563 WeakPolarHBondContact O-CG 3.29Å; R563-V565 HydrophobicContact CG-CG2 4Å; R563-E596 IonicContact NH2-OE2 3.9Å; R563-E596 PolarHBondContact NH2-OE2 3.31Å
564I98.8Very high97.4Very high0 Ų031.6 Ų31.60%014%0.139CC..EExtended strand (participates in β ladder)trans-123.2123.2177.6-48.9-179000108.8L298 T305 L309 A544 V549 V550 L554 L556 S568 V569L298-I564 HydrophobicContact CB-CG1 4.41Å; L298-I564 HydrophobicContact CB-CG2 4.36Å; L298-I564 HydrophobicContact CD1-CG1 4.41Å; L298-I564 CarbonylContact O-C 3.25Å; L298-I564 WeakPolarHBondContact O-CA 3.4Å; T305-I564 HydrophobicContact CG2-CD1 4.07Å; T305-I564 HydrophobicContact CG2-CG1 4.48Å; T305-I564 HydrophobicContact CG2-CG2 3.54Å; L309-I564 HydrophobicContact CD1-CD1 3.66Å; L309-I564 HydrophobicContact CD2-CD1 4.47Å; A544-I564 HydrophobicContact CB-CD1 3.89Å; V549-I564 HydrophobicContact CG1-CD1 4.4Å; V550-I564 HydrophobicContact CG1-CB 3.99Å; V550-I564 HydrophobicContact CG1-CD1 3.51Å; V550-I564 HydrophobicContact CG1-CG1 3.81Å; L554-I564 WeakPolarHBondContact CB-O 3.48Å; L554-I564 PolarHBondContact O-N 3.36Å; L556-I564 HydrophobicContact CD1-CD1 4.46Å; I564-S568 WeakPolarHBondContact CG2-OG 3.33Å; I564-V569 HydrophobicContact CB-CG1 3.72Å; I564-V569 HydrophobicContact CG2-CG1 3.44Å; I564-V569 VanDerWaalsContact CG2-CG1 3.44Å
565V98.5Very high97.2Very high0 Ų031.6 Ų31.60%014%0.139CC..  trans-136.172.3-176.9-166.10000109.1S53 L57 I297 L298 L554 R563 L585 A589S53-V565 WeakPolarHBondContact CB-O 3.31Å; S53-V565 PolarHBondContact OG-O 2.77Å; L57-V565 HydrophobicContact CD1-CB 3.77Å; L57-V565 HydrophobicContact CD1-CG1 3.87Å; L57-V565 HydrophobicContact CD1-CG2 4.03Å; I297-V565 HydrophobicContact CG2-CB 4.19Å; I297-V565 HydrophobicContact CG2-CG2 3.72Å; L298-V565 PolarHBondContact O-N 3.08Å; L554-V565 HydrophobicContact CD1-CG1 4.35Å; L554-V565 HydrophobicContact CD1-CG2 4.08Å; R563-V565 HydrophobicContact CG-CG2 4Å; V565-L585 HydrophobicContact CG1-CD2 4.17Å; V565-L585 HydrophobicContact CG1-CG 4.11Å; V565-A589 HydrophobicContact CB-CB 4.37Å; V565-A589 HydrophobicContact CG1-CB 3.63Å; V565-A589 HydrophobicContact CG2-CB 3.74Å
566D98.4Very high96.8Very high2 Ų229.4 Ų29.41%0.01113%0.129CC..SBendtrans-155.7-175.8172.658.933.2000109.5A299 A300 G301 T305 S568 V569A299-D566 WeakPolarHBondContact CA-OD2 3.22Å; A300-D566 PolarHBondContact N-OD2 3.22Å; A300-D566 VanDerWaalsContact N-OD2 3.11Å; G301-D566 PolarHBondContact N-OD2 3.33Å; T305-D566 WeakPolarHBondContact CB-OD2 3.5Å; T305-D566 PolarHBondContact OG1-OD2 3.37Å; D566-S568 PolarHBondContact O-N 2.88Å; D566-S568 VanDerWaalsContact O-N 3.15Å; D566-S568 WeakPolarHBondContact OD1-CB 3.35Å; D566-S568 PolarHBondContact OD1-N 3Å; D566-S568 PolarHBondContact OD1-OG 3.07Å; D566-V569 VanDerWaalsContact O-CG2 3.23Å; D566-V569 WeakPolarHBondContact O-CG2 3.41Å; D566-V569 PolarHBondContact O-N 3.21Å
567E97.7Very high96.5Very high28 Ų2829.9 Ų29.913%0.13114%0.135CC..G310 helixtrans-66.2-14.4-176.467-74.3173.600113.6G301 A302 L540 T541 S542 V569 F570 M578 L582G301-E567 WeakPolarHBondContact CA-OE1 3.28Å; A302-E567 HydrophobicContact CB-CG 4.14Å; A302-E567 PolarHBondContact N-OE1 3.18Å; L540-E567 WeakPolarHBondContact O-CG 3.31Å; T541-E567 PolarHBondContact OG1-O 2.96Å; S542-E567 PolarHBondContact N-O 3.2Å; E567-V569 PolarHBondContact O-N 2.85Å; E567-F570 VanDerWaalsContact CA-CE2 3.46Å; E567-F570 HydrophobicContact CB-CD2 3.73Å; E567-F570 HydrophobicContact CB-CE2 3.52Å; E567-F570 PolarHBondContact O-N 2.92Å; E567-M578 HydrophobicContact CB-SD 3.87Å; E567-L582 HydrophobicContact CB-CD2 4.11Å
568S98.5Very high96.2Very high0 Ų028.1 Ų28.10%013%0.128CC..G310 helixtrans-57.1-25.417472.20000113S542 T543 A544 I564 D566S542-S568 CarbonylContact C-O 3.59Å; S542-S568 VanDerWaalsContact CA-O 3.27Å; S542-S568 WeakPolarHBondContact CA-O 2.94Å; S542-S568 PolarHBondContact N-O 3.25Å; T543-S568 PolarHBondContact N-O 3.36Å; T543-S568 WeakPolarHBondContact OG1-CB 3.39Å; A544-S568 CarbonylContact C-O 3.46Å; A544-S568 WeakPolarHBondContact CA-O 3.39Å; A544-S568 PolarHBondContact N-O 3.04Å; I564-S568 WeakPolarHBondContact CG2-OG 3.33Å; D566-S568 PolarHBondContact O-N 2.88Å; D566-S568 VanDerWaalsContact O-N 3.15Å; D566-S568 WeakPolarHBondContact OD1-CB 3.35Å; D566-S568 PolarHBondContact OD1-N 3Å; D566-S568 PolarHBondContact OD1-OG 3.07Å
569V98.4Very high96.1Very high0 Ų018.3 Ų18.30%010%0.095CC..G310 helixtrans-86-13.4-173.7-47.40000113.7W155 A544 P545 I546 V550 L554 I564 D566 E567 L585W155-V569 HydrophobicContact CH2-CG2 3.86Å; W155-V569 HydrophobicContact CZ2-CG2 4.17Å; A544-V569 WeakPolarHBondContact O-CA 3.31Å; P545-V569 WeakPolarHBondContact CA-O 3.11Å; I546-V569 WeakPolarHBondContact CG2-O 3.41Å; I546-V569 PolarHBondContact N-O 3.34Å; V550-V569 HydrophobicContact CG2-CB 4.1Å; V550-V569 HydrophobicContact CG2-CG1 4.11Å; L554-V569 HydrophobicContact CD2-CB 4.24Å; L554-V569 HydrophobicContact CD2-CG1 4.37Å; L554-V569 HydrophobicContact CD2-CG2 3.79Å; I564-V569 HydrophobicContact CB-CG1 3.72Å; I564-V569 HydrophobicContact CG2-CG1 3.44Å; I564-V569 VanDerWaalsContact CG2-CG1 3.44Å; D566-V569 VanDerWaalsContact O-CG2 3.23Å; D566-V569 WeakPolarHBondContact O-CG2 3.41Å; D566-V569 PolarHBondContact O-N 3.21Å; E567-V569 PolarHBondContact O-N 2.85Å; V569-L585 HydrophobicContact CG2-CD2 3.88Å
570F97.7Very high95.8Very high0 Ų017.8 Ų17.80%09%0.092CC..  trans-69.1137.4179.4-51.6-46000110.4F143 W146 W155 T541 S542 E567 T572 M578 T581 L582 L585F143-F570 HydrophobicContact CE1-CE1 4.49Å; W146-F570 HydrophobicContact CE3-CD1 4.17Å; W146-F570 HydrophobicContact CH2-CB 3.91Å; W146-F570 AromaticContact CH2-CD1 3.69Å; W146-F570 HydrophobicContact CH2-CD1 3.69Å; W146-F570 HydrophobicContact CH2-CD2 4.18Å; W146-F570 HydrophobicContact CH2-CE1 4.22Å; W146-F570 AromaticContact CH2-CG 3.67Å; W146-F570 HydrophobicContact CH2-CG 3.67Å; W146-F570 HydrophobicContact CZ2-CB 3.92Å; W146-F570 HydrophobicContact CZ2-CG 4.2Å; W146-F570 HydrophobicContact CZ3-CB 4.35Å; W146-F570 AromaticContact CZ3-CD1 3.5Å; W146-F570 HydrophobicContact CZ3-CD1 3.5Å; W146-F570 AromaticContact CZ3-CE1 3.9Å; W146-F570 HydrophobicContact CZ3-CE1 3.9Å; W146-F570 AromaticContact CZ3-CG 3.99Å; W146-F570 HydrophobicContact CZ3-CG 3.99Å; W155-F570 AromaticContact CH2-CD1 3.86Å; W155-F570 HydrophobicContact CH2-CD1 3.86Å; W155-F570 HydrophobicContact CH2-CE1 4.15Å; W155-F570 AromaticContact CZ3-CD1 3.87Å; W155-F570 HydrophobicContact CZ3-CD1 3.87Å; W155-F570 HydrophobicContact CZ3-CE1 4.25Å; T541-F570 WeakPolarHBondContact OG1-CB 3.49Å; S542-F570 WeakPolarHBondContact CA-O 3.3Å; S542-F570 WeakPolarHBondContact CB-O 3Å; S542-F570 PolarHBondContact OG-O 3.28Å; E567-F570 VanDerWaalsContact CA-CE2 3.46Å; E567-F570 HydrophobicContact CB-CD2 3.73Å; E567-F570 HydrophobicContact CB-CE2 3.52Å; E567-F570 PolarHBondContact O-N 2.92Å; F570-T572 VanDerWaalsContact C-N 3.28Å; F570-T572 WeakPolarHBondContact CB-O 3.36Å; F570-T572 PolarHBondContact O-N 3.32Å; F570-M578 HydrophobicContact CD2-CE 4Å; F570-M578 HydrophobicContact CD2-SD 4.44Å; F570-M578 HydrophobicContact CE2-CE 3.3Å; F570-M578 HydrophobicContact CE2-SD 3.92Å; F570-M578 HydrophobicContact CZ-CE 4.08Å; F570-T581 HydrophobicContact CE1-CG2 4.23Å; F570-T581 HydrophobicContact CE2-CG2 4.27Å; F570-T581 HydrophobicContact CZ-CG2 3.76Å; F570-L582 HydrophobicContact CE2-CD2 4.14Å; F570-L582 HydrophobicContact CZ-CD2 3.94Å; F570-L585 HydrophobicContact CE1-CD2 3.85Å; F570-L585 HydrophobicContact CZ-CD2 4.13Å
571P96.7Very high95.6Very high23 Ų238.8 Ų8.815%0.1496%0.059CC..SBendtrans-63.9-31.5177.1-24.334.8000114.3W146 T150 S542 I546W146-P571 HydrophobicContact CB-CG 3.87Å; W146-P571 HydrophobicContact CG-CB 4.46Å; W146-P571 HydrophobicContact CG-CG 3.81Å; T150-P571 HydrophobicContact CG2-CB 4.02Å; T150-P571 HydrophobicContact CG2-CG 3.49Å; T150-P571 VanDerWaalsContact CG2-CG 3.49Å; S542-P571 VanDerWaalsContact OG-C 3.28Å; S542-P571 PolarHBondContact OG-O 2.89Å; I546-P571 HydrophobicContact CG2-CG 3.58Å
572T96.1Very high95.5Very high56 Ų568.9 Ų8.934%0.3446%0.057SC..SBendtrans-148.4179.2178.864.40000109.6W146 Y338 S542 F570W146-T572 VanDerWaalsContact CZ2-O 3.29Å; W146-T572 WeakPolarHBondContact CZ2-O 3.27Å; W146-T572 PolarHBondContact NE1-OG1 3.15Å; Y338-T572 HydrophobicContact CE2-CG2 4.33Å; S542-T572 PolarHBondContact OG-N 2.86Å; F570-T572 VanDerWaalsContact C-N 3.28Å; F570-T572 WeakPolarHBondContact CB-O 3.36Å; F570-T572 PolarHBondContact O-N 3.32Å
573T96.7Very high95.1Very high3 Ų39.1 Ų9.12%0.0186%0.058CC..  trans-60.2148.8170.151.30000111.9R340 L447 T541R340-T573 HydrophobicContact CG-CG2 4.12Å; L447-T573 WeakPolarHBondContact O-CB 3.3Å; L447-T573 PolarHBondContact O-OG1 3.23Å; T541-T573 HydrophobicContact CG2-CG2 3.87Å
574A94.4Very high94.8Very high1 Ų19.1 Ų9.11%0.0086%0.058CC..  trans-80.4155170.600000110.5D142 W146 R340 M578 T581D142-A574 WeakPolarHBondContact OD2-CA 3.29Å; W146-A574 HydrophobicContact CH2-CB 3.86Å; W146-A574 HydrophobicContact CZ2-CB 4.16Å; R340-A574 PolarHBondContact NE-O 3.31Å; R340-A574 PolarHBondContact NH2-O 2.94Å; A574-M578 HydrophobicContact CB-CE 4.02Å; A574-T581 HydrophobicContact CB-CG2 4.36Å
575T94.6Very high94.6Very high0 Ų09.1 Ų9.10%06%0.058CC..SBendtrans-76.2-40.7163-47.10000111.1D142 R145 F222 R340 P397 L447 H448D142-T575 VanDerWaalsContact CG-N 3.27Å; D142-T575 PolarHBondContact OD1-N 3.41Å; D142-T575 VanDerWaalsContact OD1-N 3.12Å; D142-T575 PolarHBondContact OD1-OG1 2.62Å; D142-T575 PolarHBondContact OD2-N 3.3Å; R145-T575 PolarHBondContact NH2-OG1 2.96Å; F222-T575 HydrophobicContact CD1-CG2 3.79Å; F222-T575 HydrophobicContact CE1-CG2 3.95Å; R340-T575 VanDerWaalsContact NH2-C 3.31Å; R340-T575 PolarHBondContact NH2-O 3.2Å; P397-T575 HydrophobicContact CB-CG2 4.18Å; P397-T575 HydrophobicContact CG-CG2 4.47Å; L447-T575 HydrophobicContact CD1-CG2 3.93Å; H448-T575 PolarHBondContact CE1-OG1 3.16Å; H448-T575 PolarHBondContact NE2-OG1 3.37Å
576G90.2Very high94.4Very high0 Ų09.1 Ų9.10%06%0.058CC..SBendtrans-74.6-177.2-175.800000115.2P137 D142 R340P137-G576 CarbonylContact O-C 3.45Å; P137-G576 WeakPolarHBondContact O-CA 3.05Å; D142-G576 PolarHBondContact OD2-N 2.85Å; R340-G576 PolarHBondContact NH2-O 2.94Å
577G91.1Very high94Very high11 Ų119.2 Ų9.211%0.1136%0.058CC..  trans-70.4140.2174.500000111.9V136 P137 T581V136-G577 WeakPolarHBondContact O-CA 3.08Å; V136-G577 PolarHBondContact O-N 3.19Å; P137-G577 PolarHBondContact O-N 3.25Å; G577-T581 WeakPolarHBondContact O-CB 3.5Å; G577-T581 PolarHBondContact O-N 3.36Å; G577-T581 VanDerWaalsContact O-N 3.11Å; G577-T581 PolarHBondContact O-OG1 3.31Å
578M92Very high93.8Very high27 Ų278.3 Ų8.313%0.1335%0.054CC..Hα-helixtrans-67.6-42.8-172.7-167.580.5-63.200113.1E567 F570 A574 A580 T581 L582E567-M578 HydrophobicContact CB-SD 3.87Å; F570-M578 HydrophobicContact CD2-CE 4Å; F570-M578 HydrophobicContact CD2-SD 4.44Å; F570-M578 HydrophobicContact CE2-CE 3.3Å; F570-M578 HydrophobicContact CE2-SD 3.92Å; F570-M578 HydrophobicContact CZ-CE 4.08Å; A574-M578 HydrophobicContact CB-CE 4.02Å; M578-A580 PolarHBondContact O-N 3.25Å; M578-T581 HydrophobicContact CE-CG2 3.89Å; M578-T581 PolarHBondContact O-N 2.89Å; M578-L582 HydrophobicContact CG-CD1 3.9Å; M578-L582 HydrophobicContact CG-CG 4.27Å; M578-L582 WeakPolarHBondContact O-CB 3.44Å; M578-L582 WeakPolarHBondContact O-CG 3.32Å; M578-L582 PolarHBondContact O-N 2.94Å
579G90.6Very high93.7Very high14 Ų148.3 Ų8.314%0.1445%0.054CC..Hα-helixtrans-57.6-49.6177.200000112.7T581 L582 L583G579-T581 VanDerWaalsContact C-N 3.31Å; G579-T581 PolarHBondContact O-N 3.35Å; G579-L582 PolarHBondContact O-N 2.96Å; G579-L583 VanDerWaalsContact O-CG 3.3Å; G579-L583 WeakPolarHBondContact O-CG 3.49Å; G579-L583 PolarHBondContact O-N 3.07Å
580A89.6Confident93.4Very high7 Ų78.3 Ų8.36%0.0585%0.054CC..Hα-helixtrans-61.4-39.6178.100000112.3Y135 C138 M578 A584Y135-A580 HydrophobicContact CE2-CB 3.87Å; C138-A580 HydrophobicContact CB-CB 4.06Å; M578-A580 PolarHBondContact O-N 3.25Å; A580-A584 PolarHBondContact O-N 2.75Å; A580-A584 VanDerWaalsContact O-N 3.11Å
581T93.1Very high93.1Very high0 Ų010.8 Ų10.80%07%0.067CC..Hα-helixtrans-67.5-42.7178.8-54.70000111.7C138 F143 W146 F570 A574 G577 M578 G579 A584 L585C138-T581 PolarHBondContact SG-OG1 2.95Å; F143-T581 HydrophobicContact CE1-CG2 4.25Å; F143-T581 HydrophobicContact CE2-CG2 4.43Å; F143-T581 HydrophobicContact CZ-CG2 3.74Å; W146-T581 HydrophobicContact CH2-CG2 4.39Å; W146-T581 HydrophobicContact CZ3-CG2 4.41Å; F570-T581 HydrophobicContact CE1-CG2 4.23Å; F570-T581 HydrophobicContact CE2-CG2 4.27Å; F570-T581 HydrophobicContact CZ-CG2 3.76Å; A574-T581 HydrophobicContact CB-CG2 4.36Å; G577-T581 WeakPolarHBondContact O-CB 3.5Å; G577-T581 PolarHBondContact O-N 3.36Å; G577-T581 VanDerWaalsContact O-N 3.11Å; G577-T581 PolarHBondContact O-OG1 3.31Å; M578-T581 HydrophobicContact CE-CG2 3.89Å; M578-T581 PolarHBondContact O-N 2.89Å; G579-T581 VanDerWaalsContact C-N 3.31Å; G579-T581 PolarHBondContact O-N 3.35Å; T581-A584 PolarHBondContact O-N 3.37Å; T581-L585 PolarHBondContact O-N 3.45Å
582L94.4Very high93Very high12 Ų1211.3 Ų11.36%0.0637%0.068CC..Hα-helixtrans-66.5-39.1176-74.2171.5000112.5E567 F570 M578 G579 A584 L585 S586E567-L582 HydrophobicContact CB-CD2 4.11Å; F570-L582 HydrophobicContact CE2-CD2 4.14Å; F570-L582 HydrophobicContact CZ-CD2 3.94Å; M578-L582 HydrophobicContact CG-CD1 3.9Å; M578-L582 HydrophobicContact CG-CG 4.27Å; M578-L582 WeakPolarHBondContact O-CB 3.44Å; M578-L582 WeakPolarHBondContact O-CG 3.32Å; M578-L582 PolarHBondContact O-N 2.94Å; G579-L582 PolarHBondContact O-N 2.96Å; L582-A584 VanDerWaalsContact C-N 3.34Å; L582-A584 PolarHBondContact O-N 3.23Å; L582-L585 PolarHBondContact O-N 2.93Å; L582-S586 VanDerWaalsContact O-CB 3.27Å; L582-S586 WeakPolarHBondContact O-CB 3.33Å; L582-S586 PolarHBondContact O-N 2.67Å; L582-S586 PolarHBondContact O-OG 3.07Å
583L91.1Very high92.9Very high8 Ų88.7 Ų8.74%0.0425%0.052CC..Hα-helixtrans-62.3-42175.2-72.7172.5000111.5Y52 L56 F163 Y246 G579 S586 N587Y52-L583 HydrophobicContact CD1-CD1 4.09Å; Y52-L583 HydrophobicContact CD1-CD2 4.02Å; Y52-L583 HydrophobicContact CD1-CG 3.9Å; Y52-L583 HydrophobicContact CE1-CD1 4.37Å; L56-L583 HydrophobicContact CB-CD2 4.36Å; L56-L583 HydrophobicContact CD1-CD2 3.54Å; F163-L583 HydrophobicContact CD2-CD1 3.96Å; F163-L583 HydrophobicContact CE2-CD1 4.22Å; F163-L583 HydrophobicContact CG-CD1 4.38Å; Y246-L583 HydrophobicContact CE2-CD2 4.25Å; G579-L583 VanDerWaalsContact O-CG 3.3Å; G579-L583 WeakPolarHBondContact O-CG 3.49Å; G579-L583 PolarHBondContact O-N 3.07Å; L583-S586 PolarHBondContact O-N 2.97Å; L583-N587 WeakPolarHBondContact O-CB 3.36Å; L583-N587 PolarHBondContact O-N 3.16Å; L583-N587 PolarHBondContact O-ND2 3.18Å
584A91.6Very high92.6Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-62.1-48.917500000111.7F143 M158 Y161 L162 A580 T581 L582 S586 N587 R588F143-A584 HydrophobicContact CE2-CB 4.21Å; F143-A584 HydrophobicContact CZ-CB 4.11Å; M158-A584 VanDerWaalsContact CE-C 3.49Å; M158-A584 HydrophobicContact CE-CB 4.05Å; M158-A584 WeakPolarHBondContact CE-O 3.37Å; Y161-A584 WeakPolarHBondContact CB-O 3.46Å; Y161-A584 WeakPolarHBondContact O-CA 3.36Å; L162-A584 HydrophobicContact CD2-CB 4.33Å; A580-A584 PolarHBondContact O-N 2.75Å; A580-A584 VanDerWaalsContact O-N 3.11Å; T581-A584 PolarHBondContact O-N 3.37Å; L582-A584 VanDerWaalsContact C-N 3.34Å; L582-A584 PolarHBondContact O-N 3.23Å; A584-S586 VanDerWaalsContact C-N 3.27Å; A584-S586 PolarHBondContact O-N 3.18Å; A584-N587 PolarHBondContact O-N 3.06Å; A584-R588 PolarHBondContact O-N 3.17Å
585L94.7Very high92.4Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-54.3-45174.9-178.369000111.8W155 L554 V565 V569 F570 T581 L582 R588 A589W155-L585 HydrophobicContact CH2-CD1 3.67Å; W155-L585 HydrophobicContact CZ2-CD1 3.59Å; W155-L585 HydrophobicContact CZ3-CD1 4.48Å; L554-L585 HydrophobicContact CD1-CD1 3.95Å; L554-L585 HydrophobicContact CD1-CG 4.37Å; L554-L585 HydrophobicContact CD2-CD1 4.24Å; V565-L585 HydrophobicContact CG1-CD2 4.17Å; V565-L585 HydrophobicContact CG1-CG 4.11Å; V569-L585 HydrophobicContact CG2-CD2 3.88Å; F570-L585 HydrophobicContact CE1-CD2 3.85Å; F570-L585 HydrophobicContact CZ-CD2 4.13Å; T581-L585 PolarHBondContact O-N 3.45Å; L582-L585 PolarHBondContact O-N 2.93Å; L585-R588 PolarHBondContact O-N 2.99Å; L585-A589 WeakPolarHBondContact O-CB 3.44Å; L585-A589 PolarHBondContact O-N 2.97Å
586S94.5Very high92.3Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-70.6-34.5-175.7-57.80000112.5S53 L582 L583 A584 A589 A590S53-S586 WeakPolarHBondContact CA-OG 3.38Å; S53-S586 WeakPolarHBondContact CB-OG 3.5Å; S53-S586 PolarHBondContact OG-OG 3.49Å; S53-S586 VanDerWaalsContact OG-OG 3.08Å; L582-S586 VanDerWaalsContact O-CB 3.27Å; L582-S586 WeakPolarHBondContact O-CB 3.33Å; L582-S586 PolarHBondContact O-N 2.67Å; L582-S586 PolarHBondContact O-OG 3.07Å; L583-S586 PolarHBondContact O-N 2.97Å; A584-S586 VanDerWaalsContact C-N 3.27Å; A584-S586 PolarHBondContact O-N 3.18Å; S586-A589 PolarHBondContact O-N 2.84Å; S586-A590 WeakPolarHBondContact O-CB 3.48Å; S586-A590 PolarHBondContact O-N 3.24Å
587N91.1Very high92.3Very high3 Ų324 Ų242%0.01613%0.13CC..Hα-helixtrans-63.5-44.6172.9-86.1-39.7000112R60 Y161 L583 A584 A590 D591R60-N587 VanDerWaalsContact NH1-CA 3.35Å; R60-N587 PolarHBondContact NH1-O 2.78Å; R60-N587 PolarHBondContact NH1-OD1 2.03Å; Y161-N587 HydrophobicContact CD1-CB 3.92Å; Y161-N587 HydrophobicContact CG-CB 4.38Å; L583-N587 WeakPolarHBondContact O-CB 3.36Å; L583-N587 PolarHBondContact O-N 3.16Å; L583-N587 PolarHBondContact O-ND2 3.18Å; A584-N587 PolarHBondContact O-N 3.06Å; N587-A590 PolarHBondContact O-N 3.29Å; N587-D591 PolarHBondContact O-N 3.04Å
588R92.8Very high91.7Very high10 Ų1028.7 Ų28.74%0.03815%0.152CC..Hα-helixtrans-60-48.2172.5178.6172.2177.1-86.93.2111.2G154 W155 M158 Y161 D552 A584 L585 A590 D591 L592G154-R588 VanDerWaalsContact O-CZ 3.28Å; G154-R588 PolarHBondContact O-NE 2.87Å; G154-R588 PolarHBondContact O-NH2 3.25Å; W155-R588 VanDerWaalsContact NE1-NH1 3.17Å; M158-R588 HydrophobicContact CE-CB 4.26Å; M158-R588 HydrophobicContact SD-CB 3.95Å; M158-R588 WeakPolarHBondContact SD-CD 3.13Å; M158-R588 HydrophobicContact SD-CG 4.19Å; Y161-R588 HydrophobicContact CD1-CB 4.33Å; Y161-R588 HydrophobicContact CD2-CB 3.64Å; Y161-R588 HydrophobicContact CD2-CG 4.19Å; Y161-R588 HydrophobicContact CE1-CB 4.29Å; Y161-R588 HydrophobicContact CE2-CB 3.6Å; Y161-R588 HydrophobicContact CE2-CG 3.71Å; Y161-R588 HydrophobicContact CG-CB 4Å; D552-R588 PolarHBondContact O-NH1 2.72Å; D552-R588 PolarHBondContact O-NH2 3Å; D552-R588 IonicContact OD1-NH2 3.92Å; D552-R588 PolarHBondContact OD1-NH2 3.28Å; A584-R588 PolarHBondContact O-N 3.17Å; L585-R588 PolarHBondContact O-N 2.99Å; R588-A590 VanDerWaalsContact C-N 3.31Å; R588-A590 PolarHBondContact O-N 2.63Å; R588-D591 PolarHBondContact O-N 3.09Å; R588-D591 VanDerWaalsContact O-N 3.16Å; R588-L592 HydrophobicContact CG-CD1 4.12Å; R588-L592 HydrophobicContact CG-CG 4.38Å; R588-L592 WeakPolarHBondContact O-CG 3.32Å; R588-L592 PolarHBondContact O-N 3.37Å
589A95.5Very high90.8Very high0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-59.3-41.7-179.100000112.2L57 L554 V565 L585 S586 D591 L592 I593L57-A589 HydrophobicContact CD2-CB 4.05Å; L554-A589 HydrophobicContact CD1-CB 3.82Å; V565-A589 HydrophobicContact CB-CB 4.37Å; V565-A589 HydrophobicContact CG1-CB 3.63Å; V565-A589 HydrophobicContact CG2-CB 3.74Å; L585-A589 WeakPolarHBondContact O-CB 3.44Å; L585-A589 PolarHBondContact O-N 2.97Å; S586-A589 PolarHBondContact O-N 2.84Å; A589-D591 VanDerWaalsContact C-N 3.33Å; A589-D591 PolarHBondContact O-N 3.37Å; A589-L592 PolarHBondContact O-N 3.34Å; A589-I593 WeakPolarHBondContact O-CD1 3.48Å; A589-I593 VanDerWaalsContact O-CG1 3.23Å; A589-I593 WeakPolarHBondContact O-CG1 3.4Å; A589-I593 PolarHBondContact O-N 3.31Å
590A93.1Very high90Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-58.1-44.4175.700000111.9L57 R60 S586 N587 R588 I593 R594L57-A590 HydrophobicContact CD2-CB 4.03Å; R60-A590 HydrophobicContact CB-CB 3.94Å; R60-A590 HydrophobicContact CG-CB 4.36Å; S586-A590 WeakPolarHBondContact O-CB 3.48Å; S586-A590 PolarHBondContact O-N 3.24Å; N587-A590 PolarHBondContact O-N 3.29Å; R588-A590 VanDerWaalsContact C-N 3.31Å; R588-A590 PolarHBondContact O-N 2.63Å; A590-I593 PolarHBondContact O-N 3.11Å; A590-R594 WeakPolarHBondContact O-CB 3.25Å; A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 3.1Å
591D91.5Very high89.2Confident52 Ų5237.7 Ų37.728%0.27821%0.21SC..Hα-helixtrans-69.8-37.8179.9-70.3-26.7000112.5R60 Y161 N587 R588 A589 R594 S595R60-D591 IonicContact CZ-OD1 3.03Å; R60-D591 IonicContact CZ-OD2 3.72Å; R60-D591 IonicContact NH1-OD1 2.68Å; R60-D591 IonicContact NH1-OD2 3.71Å; R60-D591 VanDerWaalsContact NH2-CG 3.32Å; R60-D591 IonicContact NH2-OD1 2.65Å; R60-D591 PolarHBondContact NH2-OD1 3.42Å; R60-D591 IonicContact NH2-OD2 2.73Å; R60-D591 PolarHBondContact NH2-OD2 3.1Å; Y161-D591 WeakPolarHBondContact CE1-OD2 3.4Å; N587-D591 PolarHBondContact O-N 3.04Å; R588-D591 PolarHBondContact O-N 3.09Å; R588-D591 VanDerWaalsContact O-N 3.16Å; A589-D591 VanDerWaalsContact C-N 3.33Å; A589-D591 PolarHBondContact O-N 3.37Å; D591-R594 PolarHBondContact O-N 3.08Å; D591-S595 WeakPolarHBondContact O-CB 3.37Å; D591-S595 PolarHBondContact O-N 3.36Å; D591-S595 PolarHBondContact O-OG 2.81Å
592L93.7Very high89Confident34 Ų3439.6 Ų39.618%0.17822%0.221CC..Hα-helixtrans-59.4-49171.4-68.1174.2000111.8N553 R588 A589 R594 S595 E596N553-L592 HydrophobicContact CB-CD1 4.5Å; R588-L592 HydrophobicContact CG-CD1 4.12Å; R588-L592 HydrophobicContact CG-CG 4.38Å; R588-L592 WeakPolarHBondContact O-CG 3.32Å; R588-L592 PolarHBondContact O-N 3.37Å; A589-L592 PolarHBondContact O-N 3.34Å; L592-R594 PolarHBondContact O-N 3.38Å; L592-S595 PolarHBondContact O-N 3.34Å; L592-S595 PolarHBondContact O-OG 3.16Å; L592-E596 PolarHBondContact O-N 3.02Å
593I94.9Very high88.7Confident0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-63.1-43.7-179.2-66158.7000110.8F45 L57 L61 I297 A589 A590 S595 E596 H597F45-I593 HydrophobicContact CD1-CG2 4.41Å; F45-I593 HydrophobicContact CE1-CG2 3.54Å; F45-I593 HydrophobicContact CZ-CG2 3.73Å; L57-I593 HydrophobicContact CD2-CD1 4.19Å; L61-I593 HydrophobicContact CD1-CD1 4.36Å; L61-I593 HydrophobicContact CD1-CG2 4.34Å; L61-I593 HydrophobicContact CD2-CB 4.08Å; L61-I593 HydrophobicContact CD2-CG2 3.54Å; I297-I593 HydrophobicContact CD1-CD1 3.59Å; I297-I593 HydrophobicContact CG1-CD1 4.38Å; A589-I593 WeakPolarHBondContact O-CD1 3.48Å; A589-I593 VanDerWaalsContact O-CG1 3.23Å; A589-I593 WeakPolarHBondContact O-CG1 3.4Å; A589-I593 PolarHBondContact O-N 3.31Å; A590-I593 PolarHBondContact O-N 3.11Å; I593-S595 VanDerWaalsContact C-N 3.33Å; I593-S595 PolarHBondContact O-N 3.17Å; I593-E596 PolarHBondContact O-N 3.24Å; I593-H597 PolarHBondContact O-N 3.34Å; I593-H597 VanDerWaalsContact O-N 3.1Å
594R90.1Very high88.6Confident97 Ų9742.9 Ų42.937%0.36624%0.239SC..Hα-helixtrans-62.5-40.1178.3-71.6179.866.7-164.2-0.4112.2L61 A590 D591 L592 E596 D598 T599L61-R594 HydrophobicContact CD2-CG 4.33Å; A590-R594 WeakPolarHBondContact O-CB 3.25Å; A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 3.1Å; D591-R594 PolarHBondContact O-N 3.08Å; L592-R594 PolarHBondContact O-N 3.38Å; R594-E596 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 2.91Å; R594-D598 PolarHBondContact O-N 2.78Å; R594-T599 HydrophobicContact CB-CG2 4.5Å; R594-T599 HydrophobicContact CG-CG2 4.14Å; R594-T599 WeakPolarHBondContact CG-OG1 3.29Å
595S90.2Very high88.4Confident97 Ų9745.4 Ų45.468%0.67825%0.254SS*.Hα-helixtrans-66.4-3017872.90000113.4D591 L592 I593D591-S595 WeakPolarHBondContact O-CB 3.37Å; D591-S595 PolarHBondContact O-N 3.36Å; D591-S595 PolarHBondContact O-OG 2.81Å; L592-S595 PolarHBondContact O-N 3.34Å; L592-S595 PolarHBondContact O-OG 3.16Å; I593-S595 VanDerWaalsContact C-N 3.33Å; I593-S595 PolarHBondContact O-N 3.17Å
596E93.1Very high88Confident89 Ų8948.3 Ų48.342%0.41627%0.269SS..Hα-helixtrans-86.9-36.1-175.9179171.6-178.300113.6K555 R563 L592 I593 R594K555-E596 WeakPolarHBondContact CE-OE1 3.17Å; K555-E596 WeakPolarHBondContact CE-OE2 3.16Å; K555-E596 IonicContact NZ-OE1 2.62Å; K555-E596 PolarHBondContact NZ-OE1 3.47Å; K555-E596 IonicContact NZ-OE2 3.71Å; K555-E596 PolarHBondContact NZ-OE2 3.04Å; R563-E596 IonicContact NH2-OE2 3.9Å; R563-E596 PolarHBondContact NH2-OE2 3.31Å; L592-E596 PolarHBondContact O-N 3.02Å; I593-E596 PolarHBondContact O-N 3.24Å; R594-E596 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 2.91Å
597H90.2Very high87.6Confident44 Ų4451.5 Ų51.520%0.20429%0.287CS..Hα-helixtrans-106.23.5-167.9-78.2-74000115.5F45 K294 E295 I593 T599F45-H597 HydrophobicContact CZ-CB 4.01Å; F45-H597 AromaticContact CZ-CG 3.95Å; K294-H597 HydrophobicContact CD-CB 4Å; K294-H597 PolarHBondContact NZ-O 3.19Å; E295-H597 VanDerWaalsContact CD-NE2 3.33Å; E295-H597 WeakPolarHBondContact CG-NE2 3.44Å; E295-H597 IonicContact OE1-CD2 3.57Å; E295-H597 IonicContact OE1-CE1 2.73Å; E295-H597 IonicContact OE1-NE2 2.97Å; E295-H597 PolarHBondContact OE1-NE2 2.98Å; I593-H597 PolarHBondContact O-N 3.34Å; I593-H597 VanDerWaalsContact O-N 3.1Å; H597-T599 HydrophobicContact CB-CG2 4.36Å
598D77.1Confident87.3Confident108 Ų10854.9 Ų54.958%0.57831%0.307SS*.THydrogen-bonded Turntrans35.978.1-167.2-168.70.6000111.6R594 T600R594-D598 PolarHBondContact O-N 2.78Å; D598-T600 PolarHBondContact O-N 3.02Å; D598-T600 PolarHBondContact OD1-N 3.17Å; D598-T600 PolarHBondContact OD1-OG1 3.45Å
599T74.8Confident86.9Confident5 Ų558.4 Ų58.43%0.03133%0.327CS..  trans-74.3-3.3-174.654.30000113.9F45 L61 S64 Q67 R594 H597F45-T599 HydrophobicContact CE2-CG2 4.37Å; F45-T599 HydrophobicContact CZ-CG2 4.42Å; L61-T599 HydrophobicContact CD2-CG2 4.49Å; S64-T599 WeakPolarHBondContact CB-O 3.49Å; S64-T599 PolarHBondContact OG-O 2.93Å; Q67-T599 HydrophobicContact CG-CG2 4.29Å; R594-T599 HydrophobicContact CB-CG2 4.5Å; R594-T599 HydrophobicContact CG-CG2 4.14Å; R594-T599 WeakPolarHBondContact CG-OG1 3.29Å; H597-T599 HydrophobicContact CB-CG2 4.36Å
600T72.5Confident86.2Confident75 Ų7563.3 Ų63.346%0.4636%0.355SS..  trans-83.6146.4179.5230000111.7D598D598-T600 PolarHBondContact O-N 3.02Å; D598-T600 PolarHBondContact OD1-N 3.17Å; D598-T600 PolarHBondContact OD1-OG1 3.45Å
601C73.3Confident85.6Confident158 Ų15869 Ų69100%1.06839%0.387SS*.  trans-87.20148.6-55.60000105.4C66C66-C601 HydrophobicContact CB-CB 4.36Å; C66-C601 WeakPolarHBondContact CB-SG 3.34Å; C66-C601 WeakPolarHBondContact SG-CB 3.49Å; C66-C601 PolarHBondContact SG-N 3.15Å; C66-C601 CovalentContact SG-SG 2.01Å; C66-C601 PolarHBondContact SG-SG 3.14Å

Retrieved 601 of 601 residues in 293.1 ms (Link to these results)

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