A0A096N8Q1_PAPAN Loading...

DnaJ heat shock protein family (Hsp40) member B8

AlphaFold DB (Q4R6T6), UniProt , Accession A0A096N8Q1, Species PAPAN (Papio anubis, Olive baboon), Gene DNAJB8, Length 232 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
1M46.8Very low77.8Confident189 Ų18962.6 Ų62.693%0.93134%0.341SS*.  0119.80-14271.3148.800106.2
2A54.1Low78Confident55 Ų5562.9 Ų62.946%0.45536%0.358SS..  trans-78.7138.1-175.600000110.1V7A2-V7 HydrophobicContact CB-CG2 3.73Å
3N80.3Confident78.1Confident47 Ų4765.5 Ų65.525%0.25138%0.383SS..  trans-63.6142.6172.5-72.2-58.6000109.5Y5 E6 V7 C70N3-Y5 PolarHBondContact O-N 3.24Å; N3-E6 HydrophobicContact CB-CB 4.14Å; N3-E6 HydrophobicContact CB-CG 3.86Å; N3-E6 PolarHBondContact N-OE2 2.94Å; N3-E6 VanDerWaalsContact N-OE2 3.14Å; N3-E6 PolarHBondContact ND2-OE1 2.89Å; N3-E6 WeakPolarHBondContact O-CA 3.32Å; N3-E6 WeakPolarHBondContact O-CB 3.27Å; N3-E6 PolarHBondContact O-N 2.75Å; N3-V7 WeakPolarHBondContact O-CG2 3.31Å; N3-V7 PolarHBondContact O-N 2.67Å; N3-C70 PolarHBondContact OD1-SG 2.98Å
4Y83.4Confident78.3Confident11 Ų1161.8 Ų61.84%0.04336%0.363CS..Hα-helixtrans-59.8-32.1177.3-70.4-45.5000112.6V7 L8 E51 A52 V55 Y65 W73Y4-V7 PolarHBondContact O-N 3.28Å; Y4-L8 PolarHBondContact O-N 2.98Å; Y4-L8 VanDerWaalsContact O-N 3.09Å; Y4-E51 HydrophobicContact CE1-CG 3.85Å; Y4-E51 PolarHBondContact OH-OE1 3.5Å; Y4-E51 VanDerWaalsContact OH-OE1 3.13Å; Y4-A52 HydrophobicContact CD1-CB 3.6Å; Y4-A52 HydrophobicContact CE1-CB 4.42Å; Y4-A52 HydrophobicContact CG-CB 4.04Å; Y4-V55 HydrophobicContact CD2-CB 4.19Å; Y4-V55 HydrophobicContact CD2-CG1 4.01Å; Y4-V55 HydrophobicContact CE2-CB 3.98Å; Y4-V55 HydrophobicContact CE2-CG1 3.83Å; Y4-V55 HydrophobicContact CE2-CG2 3.88Å; Y4-Y65 HydrophobicContact CD2-CD1 4.37Å; Y4-Y65 AromaticContact CD2-CD2 3.67Å; Y4-Y65 HydrophobicContact CD2-CD2 3.67Å; Y4-Y65 AromaticContact CD2-CE1 3.97Å; Y4-Y65 HydrophobicContact CD2-CE1 3.97Å; Y4-Y65 AromaticContact CD2-CE2 3.22Å; Y4-Y65 HydrophobicContact CD2-CE2 3.22Å; Y4-Y65 HydrophobicContact CD2-CG 4.22Å; Y4-Y65 AromaticContact CD2-CZ 3.37Å; Y4-Y65 AromaticContact CE2-CD2 3.7Å; Y4-Y65 HydrophobicContact CE2-CD2 3.7Å; Y4-Y65 AromaticContact CE2-CE2 3.42Å; Y4-Y65 HydrophobicContact CE2-CE2 3.42Å; Y4-Y65 VanDerWaalsContact CE2-CE2 3.42Å; Y4-Y65 HydrophobicContact CG-CE2 4.29Å; Y4-Y65 PolarHBondContact N-OH 3.18Å; Y4-W73 HydrophobicContact CE1-CH2 4.39Å; Y4-W73 HydrophobicContact CE1-CZ3 4.22Å; Y4-W73 HydrophobicContact CE2-CH2 4.33Å; Y4-W73 HydrophobicContact CE2-CZ3 4.38Å; Y4-W73 AromaticContact CZ-CH2 3.63Å; Y4-W73 AromaticContact CZ-CZ3 3.75Å; Y4-W73 WeakPolarHBondContact OH-CH2 3.1Å; Y4-W73 WeakPolarHBondContact OH-CZ2 3.2Å; Y4-W73 WeakPolarHBondContact OH-CZ3 3.49Å
5Y85Confident78.8Confident21 Ų2160.8 Ų60.88%0.08236%0.361CS..Hα-helixtrans-62.7-40.3171.6-62.2-72.2000111.9N3 L8 G9 V10 A12 L56 R62 Y65 D66N3-Y5 PolarHBondContact O-N 3.24Å; Y5-L8 PolarHBondContact O-N 2.91Å; Y5-G9 PolarHBondContact O-N 2.83Å; Y5-V10 CarbonylContact C-O 3.41Å; Y5-V10 WeakPolarHBondContact CB-O 3.44Å; Y5-V10 HydrophobicContact CD1-CG2 4.11Å; Y5-V10 PolarHBondContact O-N 3.48Å; Y5-V10 VanDerWaalsContact O-O 3.07Å; Y5-A12 HydrophobicContact CD2-CB 4.28Å; Y5-A12 HydrophobicContact CE2-CB 4.31Å; Y5-A12 HydrophobicContact CG-CB 4.39Å; Y5-L56 HydrophobicContact CD1-CD1 3.83Å; Y5-L56 HydrophobicContact CD1-CD2 4.31Å; Y5-L56 HydrophobicContact CE1-CD1 3.97Å; Y5-L56 HydrophobicContact CE1-CD2 3.68Å; Y5-L56 HydrophobicContact CE1-CG 4.45Å; Y5-L56 HydrophobicContact CE2-CD2 4.01Å; Y5-L56 HydrophobicContact CG-CD1 4.27Å; Y5-R62 PolarHBondContact OH-NE 3.27Å; Y5-R62 VanDerWaalsContact OH-NE 3.08Å; Y5-Y65 HydrophobicContact CD2-CE1 4.12Å; Y5-Y65 HydrophobicContact CE2-CD1 4.11Å; Y5-Y65 AromaticContact CE2-CE1 3.75Å; Y5-Y65 HydrophobicContact CE2-CE1 3.75Å; Y5-D66 PolarHBondContact OH-OD1 3.08Å; Y5-D66 PolarHBondContact OH-OD2 3.14Å
6E85Confident79Confident122 Ų12261.1 Ų61.157%0.5737%0.365SS*.Hα-helixtrans-70.3-39.6175.3-70.3164.9-169.400112.3N3 L8 G9N3-E6 HydrophobicContact CB-CB 4.14Å; N3-E6 HydrophobicContact CB-CG 3.86Å; N3-E6 PolarHBondContact N-OE2 2.94Å; N3-E6 VanDerWaalsContact N-OE2 3.14Å; N3-E6 PolarHBondContact ND2-OE1 2.89Å; N3-E6 WeakPolarHBondContact O-CA 3.32Å; N3-E6 WeakPolarHBondContact O-CB 3.27Å; N3-E6 PolarHBondContact O-N 2.75Å; E6-L8 PolarHBondContact O-N 2.9Å; E6-G9 PolarHBondContact O-N 3.22Å
7V85.9Confident79.1Confident30 Ų3063.2 Ų63.218%0.18237%0.37CS..Hα-helixtrans-59.3-40.1176.4174.10000110.7A2 N3 Y4 L26 Q48 V49 A52A2-V7 HydrophobicContact CB-CG2 3.73Å; N3-V7 WeakPolarHBondContact O-CG2 3.31Å; N3-V7 PolarHBondContact O-N 2.67Å; Y4-V7 PolarHBondContact O-N 3.28Å; V7-L26 WeakPolarHBondContact O-CD1 2.97Å; V7-Q48 HydrophobicContact CG1-CB 3.94Å; V7-V49 HydrophobicContact CG1-CG2 4.03Å; V7-A52 HydrophobicContact CB-CB 4.3Å; V7-A52 HydrophobicContact CG1-CB 4.12Å
8L85.3Confident79.3Confident6 Ų663.2 Ų63.23%0.03137%0.368CS..Hα-helixtrans-83.5-9.2175.3-66.8-178.9000113.6Y4 Y5 E6 V10 I19 A22 L26 V49 A52 L56Y4-L8 PolarHBondContact O-N 2.98Å; Y4-L8 VanDerWaalsContact O-N 3.09Å; Y5-L8 PolarHBondContact O-N 2.91Å; E6-L8 PolarHBondContact O-N 2.9Å; L8-V10 VanDerWaalsContact C-N 3.29Å; L8-V10 HydrophobicContact CB-CG1 4.39Å; L8-V10 HydrophobicContact CB-CG2 3.92Å; L8-V10 PolarHBondContact O-N 3.4Å; L8-I19 HydrophobicContact CD1-CG2 3.85Å; L8-A22 HydrophobicContact CB-CB 4.37Å; L8-A22 WeakPolarHBondContact O-CB 3.49Å; L8-L26 HydrophobicContact CD2-CD1 4.16Å; L8-V49 HydrophobicContact CD2-CG1 3.99Å; L8-A52 HydrophobicContact CD1-CB 4.12Å; L8-A52 HydrophobicContact CD2-CB 4.2Å; L8-A52 HydrophobicContact CG-CB 3.82Å; L8-L56 HydrophobicContact CD1-CD1 3.81Å
9G83.3Confident79.7Confident36 Ų3659.8 Ų59.837%0.37135%0.349SS..THydrogen-bonded Turntrans64.431.2-176.300000113.6Y5 E6Y5-G9 PolarHBondContact O-N 2.83Å; E6-G9 PolarHBondContact O-N 3.22Å
10V84.3Confident80Confident24 Ų2460.2 Ų60.215%0.14535%0.346CS..  trans-116156.5-179.4-61.80000110.8Y5 L8 A14 I19 A22Y5-V10 CarbonylContact C-O 3.41Å; Y5-V10 WeakPolarHBondContact CB-O 3.44Å; Y5-V10 HydrophobicContact CD1-CG2 4.11Å; Y5-V10 PolarHBondContact O-N 3.48Å; Y5-V10 VanDerWaalsContact O-O 3.07Å; L8-V10 VanDerWaalsContact C-N 3.29Å; L8-V10 HydrophobicContact CB-CG1 4.39Å; L8-V10 HydrophobicContact CB-CG2 3.92Å; L8-V10 PolarHBondContact O-N 3.4Å; V10-A14 HydrophobicContact CB-CB 3.94Å; V10-A14 HydrophobicContact CG2-CB 4.22Å; V10-I19 HydrophobicContact CG2-CG1 4.28Å; V10-A22 HydrophobicContact CG1-CB 3.52Å
11Q82.9Confident80.1Confident148 Ų14860.6 Ų60.669%0.69234%0.344SS*.  trans-74.8155.3173.7-64.1-157.7-13.800111.5S13 A14Q11-S13 PolarHBondContact O-N 2.87Å; Q11-S13 VanDerWaalsContact O-N 3.15Å; Q11-A14 WeakPolarHBondContact O-CB 3.47Å; Q11-A14 PolarHBondContact O-N 3.08Å
12A80.1Confident81.9Confident66 Ų6652.1 Ų52.155%0.54530%0.304SS..THydrogen-bonded Turntrans-59.8-24.4175.800000113.2Y5 A14 R62Y5-A12 HydrophobicContact CD2-CB 4.28Å; Y5-A12 HydrophobicContact CE2-CB 4.31Å; Y5-A12 HydrophobicContact CG-CB 4.39Å; A12-A14 VanDerWaalsContact C-N 3.31Å; A12-R62 PolarHBondContact O-NH2 3.36Å
13S79.3Confident83.5Confident97 Ų9749.5 Ų49.568%0.67828%0.282SS*.THydrogen-bonded Turntrans-83.42.3174.954.90000114.3Q11Q11-S13 PolarHBondContact O-N 2.87Å; Q11-S13 VanDerWaalsContact O-N 3.15Å
14A81.1Confident83.6Confident13 Ų1349.2 Ų49.211%0.10728%0.278CS..  trans-62.2142.2-174.500000112.8V10 Q11 A12 D18 I19 R62V10-A14 HydrophobicContact CB-CB 3.94Å; V10-A14 HydrophobicContact CG2-CB 4.22Å; Q11-A14 WeakPolarHBondContact O-CB 3.47Å; Q11-A14 PolarHBondContact O-N 3.08Å; A12-A14 VanDerWaalsContact C-N 3.31Å; A14-D18 HydrophobicContact CB-CB 4.33Å; A14-I19 HydrophobicContact CB-CG1 4.28Å; A14-R62 PolarHBondContact O-NH1 2.8Å; A14-R62 PolarHBondContact O-NH2 3.25Å
15S84.6Confident83.5Confident47 Ų4751.7 Ų51.733%0.32929%0.288SS..  trans-64.7149.5171.8169.90000110.4E17 D18 I19S15-E17 PolarHBondContact O-N 2.73Å; S15-E17 VanDerWaalsContact O-N 3.12Å; S15-E17 PolarHBondContact OG-N 2.77Å; S15-D18 WeakPolarHBondContact CB-OD2 3.49Å; S15-D18 PolarHBondContact O-N 2.75Å; S15-I19 PolarHBondContact O-N 2.92Å; S15-I19 VanDerWaalsContact O-N 3.09Å
16P83Confident83.5Confident66 Ų6652.3 Ų52.343%0.42929%0.293SS..Hα-helixtrans-53.8-29170.124-35.8000112.8K20P16-K20 WeakPolarHBondContact O-CG 3.31Å; P16-K20 PolarHBondContact O-N 3.22Å
17E80.1Confident83.5Confident96 Ų9646.5 Ų46.545%0.44927%0.266SS..Hα-helixtrans-68.3-37.5174.6-64.2-166-176.200112.9S15 K20 K21S15-E17 PolarHBondContact O-N 2.73Å; S15-E17 VanDerWaalsContact O-N 3.12Å; S15-E17 PolarHBondContact OG-N 2.77Å; E17-K20 WeakPolarHBondContact O-CB 3.33Å; E17-K20 PolarHBondContact O-N 2.75Å; E17-K21 VanDerWaalsContact O-CG 3.25Å; E17-K21 WeakPolarHBondContact O-CG 3.34Å; E17-K21 PolarHBondContact O-N 2.94Å; E17-K21 IonicContact OE2-NZ 3.52Å
18D83.5Confident83.2Confident63 Ų6346.4 Ų46.434%0.33726%0.264SS..Hα-helixtrans-73.1-36.1-179.8-61.1-33.5000110.9A14 S15 K21 A22A14-D18 HydrophobicContact CB-CB 4.33Å; S15-D18 WeakPolarHBondContact CB-OD2 3.49Å; S15-D18 PolarHBondContact O-N 2.75Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-K21 IonicContact OD1-NZ 2.65Å; D18-K21 PolarHBondContact OD1-NZ 3.09Å; D18-A22 WeakPolarHBondContact O-CB 3.45Å; D18-A22 PolarHBondContact O-N 2.8Å
19I86.4Confident83Confident0 Ų051.5 Ų51.50%028%0.283CS..Hα-helixtrans-59.4-45.9169.9-69.3159.3000110.5L8 V10 A14 S15 K21 A22 Y23 Y53 L56L8-I19 HydrophobicContact CD1-CG2 3.85Å; V10-I19 HydrophobicContact CG2-CG1 4.28Å; A14-I19 HydrophobicContact CB-CG1 4.28Å; S15-I19 PolarHBondContact O-N 2.92Å; S15-I19 VanDerWaalsContact O-N 3.09Å; I19-K21 PolarHBondContact O-N 3.01Å; I19-A22 PolarHBondContact O-N 3.34Å; I19-Y23 WeakPolarHBondContact O-CB 3.27Å; I19-Y23 PolarHBondContact O-N 2.93Å; I19-Y53 HydrophobicContact CG2-CD2 3.98Å; I19-Y53 HydrophobicContact CG2-CE2 4.39Å; I19-L56 HydrophobicContact CD1-CB 4.14Å; I19-L56 HydrophobicContact CG2-CB 3.98Å
20K85Confident83.1Confident67 Ų6752.1 Ų52.129%0.29127%0.274SS..Hα-helixtrans-61.9-39.8174.2-76.1176-179.5-173.80112.8P16 E17 R24 Y53 F103 F119P16-K20 WeakPolarHBondContact O-CG 3.31Å; P16-K20 PolarHBondContact O-N 3.22Å; E17-K20 WeakPolarHBondContact O-CB 3.33Å; E17-K20 PolarHBondContact O-N 2.75Å; K20-R24 WeakPolarHBondContact O-CG 3.38Å; K20-R24 PolarHBondContact O-N 3.2Å; K20-R24 PolarHBondContact O-NE 3.46Å; K20-Y53 HydrophobicContact CB-CE2 4.33Å; K20-Y53 HydrophobicContact CG-CE2 3.62Å; K20-F103 HydrophobicContact CG-CE2 4.33Å; K20-F119 HydrophobicContact CD-CZ 4.32Å
21K82.4Confident83Confident68 Ų6852.5 Ų52.530%0.29627%0.274SS..Hα-helixtrans-67.9-41.6177.2-71.5166.3-165.5160.80111.4E17 D18 I19 K25E17-K21 VanDerWaalsContact O-CG 3.25Å; E17-K21 WeakPolarHBondContact O-CG 3.34Å; E17-K21 PolarHBondContact O-N 2.94Å; E17-K21 IonicContact OE2-NZ 3.52Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-K21 IonicContact OD1-NZ 2.65Å; D18-K21 PolarHBondContact OD1-NZ 3.09Å; I19-K21 PolarHBondContact O-N 3.01Å; K21-K25 WeakPolarHBondContact O-CG 3.34Å; K21-K25 PolarHBondContact O-N 2.89Å
22A85.9Confident82.8Confident12 Ų1247.4 Ų47.410%0.09925%0.254CS..Hα-helixtrans-65.3-46.3178.200000111.7L8 V10 D18 I19 R24 K25 L26L8-A22 HydrophobicContact CB-CB 4.37Å; L8-A22 WeakPolarHBondContact O-CB 3.49Å; V10-A22 HydrophobicContact CG1-CB 3.52Å; D18-A22 WeakPolarHBondContact O-CB 3.45Å; D18-A22 PolarHBondContact O-N 2.8Å; I19-A22 PolarHBondContact O-N 3.34Å; A22-R24 PolarHBondContact O-N 2.75Å; A22-K25 PolarHBondContact O-N 3.16Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 3.27Å
23Y86.2Confident82.7Confident0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-54-50.7174.8175.2-109.5000111.5I19 K25 L26 A27 V49 S50 Y53 F103I19-Y23 WeakPolarHBondContact O-CB 3.27Å; I19-Y23 PolarHBondContact O-N 2.93Å; Y23-K25 VanDerWaalsContact C-N 3.33Å; Y23-K25 PolarHBondContact O-N 2.7Å; Y23-L26 PolarHBondContact O-N 2.74Å; Y23-A27 HydrophobicContact CE2-CB 4.37Å; Y23-A27 WeakPolarHBondContact O-CB 3.32Å; Y23-A27 PolarHBondContact O-N 2.78Å; Y23-V49 HydrophobicContact CD2-CG1 3.52Å; Y23-V49 HydrophobicContact CE2-CG1 3.88Å; Y23-S50 PolarHBondContact OH-OG 2.65Å; Y23-Y53 AromaticContact CD1-CD1 3.99Å; Y23-Y53 HydrophobicContact CD1-CD1 3.99Å; Y23-Y53 HydrophobicContact CD1-CD2 4.09Å; Y23-Y53 HydrophobicContact CD1-CE1 4.26Å; Y23-Y53 HydrophobicContact CD1-CE2 4.37Å; Y23-Y53 AromaticContact CD1-CG 3.91Å; Y23-Y53 HydrophobicContact CD1-CG 3.91Å; Y23-Y53 HydrophobicContact CD2-CD1 4.23Å; Y23-Y53 HydrophobicContact CD2-CD2 4.27Å; Y23-Y53 AromaticContact CD2-CG 3.7Å; Y23-Y53 HydrophobicContact CD2-CG 3.7Å; Y23-Y53 HydrophobicContact CE1-CD1 4.08Å; Y23-Y53 HydrophobicContact CE1-CE1 4.38Å; Y23-Y53 HydrophobicContact CE1-CG 4.38Å; Y23-Y53 HydrophobicContact CE2-CD1 4.35Å; Y23-Y53 HydrophobicContact CE2-CG 4.23Å; Y23-Y53 HydrophobicContact CG-CD1 4.07Å; Y23-Y53 AromaticContact CG-CD2 3.7Å; Y23-Y53 HydrophobicContact CG-CD2 3.7Å; Y23-Y53 HydrophobicContact CG-CE2 4.38Å; Y23-Y53 AromaticContact CG-CG 3.53Å; Y23-Y53 HydrophobicContact CG-CG 3.53Å; Y23-F103 HydrophobicContact CE1-CD1 4.34Å; Y23-F103 HydrophobicContact CE1-CD2 4.48Å; Y23-F103 HydrophobicContact CE1-CG 4.19Å
24R82.3Confident82.5Confident41 Ų4151.6 Ų51.616%0.15525%0.254CS..Hα-helixtrans-53.1-47.7177.5-78.8-176.2-84.3-174.2-1.9113.1K20 A22 L28 F103 F104K20-R24 WeakPolarHBondContact O-CG 3.38Å; K20-R24 PolarHBondContact O-N 3.2Å; K20-R24 PolarHBondContact O-NE 3.46Å; A22-R24 PolarHBondContact O-N 2.75Å; R24-L28 WeakPolarHBondContact O-CD1 3.22Å; R24-L28 WeakPolarHBondContact O-CG 3.37Å; R24-L28 PolarHBondContact O-N 2.78Å; R24-F103 HydrophobicContact CG-CD1 4.36Å; R24-F103 HydrophobicContact CG-CE1 3.3Å; R24-F103 HydrophobicContact CG-CZ 3.71Å; R24-F104 HydrophobicContact CB-CZ 4.23Å; R24-F104 HydrophobicContact CG-CE1 4.1Å; R24-F104 HydrophobicContact CG-CZ 3.74Å
25K81.6Confident82.3Confident62 Ų6252.9 Ų52.927%0.2726%0.259SS..Hα-helixtrans-65.4-44.7-178.6-69.1174.7-177.4-179.10111.6K21 A22 Y23 R29K21-K25 WeakPolarHBondContact O-CG 3.34Å; K21-K25 PolarHBondContact O-N 2.89Å; A22-K25 PolarHBondContact O-N 3.16Å; Y23-K25 VanDerWaalsContact C-N 3.33Å; Y23-K25 PolarHBondContact O-N 2.7Å; K25-R29 WeakPolarHBondContact O-CG 3.4Å; K25-R29 PolarHBondContact O-N 2.81Å; K25-R29 VanDerWaalsContact O-N 3.15Å
26L86.3Confident81.9Confident35 Ų3554.2 Ų54.218%0.18327%0.267CS..Hα-helixtrans-74.2-38-176.5-71.1170.8000112.4V7 L8 A22 Y23 L28 R29 W30 V49V7-L26 WeakPolarHBondContact O-CD1 2.97Å; L8-L26 HydrophobicContact CD2-CD1 4.16Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 3.27Å; Y23-L26 PolarHBondContact O-N 2.74Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 2.8Å; L26-R29 PolarHBondContact O-N 3.17Å; L26-W30 PolarHBondContact O-N 2.71Å; L26-V49 HydrophobicContact CB-CG1 3.77Å; L26-V49 HydrophobicContact CB-CG2 3.93Å; L26-V49 HydrophobicContact CD1-CG2 4.1Å
27A83.1Confident81.8Confident0 Ų058.1 Ų58.10%028%0.284CS..Hα-helixtrans-58.3-44.3175.300000111.5Y23 H31 F46 F100Y23-A27 HydrophobicContact CE2-CB 4.37Å; Y23-A27 WeakPolarHBondContact O-CB 3.32Å; Y23-A27 PolarHBondContact O-N 2.78Å; A27-H31 WeakPolarHBondContact O-CB 3.49Å; A27-H31 PolarHBondContact O-N 3.17Å; A27-H31 VanDerWaalsContact O-N 3.08Å; A27-F46 HydrophobicContact CB-CD2 4.41Å; A27-F46 HydrophobicContact CB-CE2 3.9Å; A27-F100 HydrophobicContact CB-CD2 3.8Å; A27-F100 HydrophobicContact CB-CE2 3.73Å
28L80.1Confident82.1Confident28 Ų2858 Ų5815%0.14729%0.286CS..Hα-helixtrans-69.2-34.8176.1-69.5169.5000113.1R24 L26 F100 P109 F110R24-L28 WeakPolarHBondContact O-CD1 3.22Å; R24-L28 WeakPolarHBondContact O-CG 3.37Å; R24-L28 PolarHBondContact O-N 2.78Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 2.8Å; L28-F100 HydrophobicContact CD2-CZ 4.17Å; L28-P109 WeakPolarHBondContact CD1-O 3.27Å; L28-P109 HydrophobicContact CD2-CB 3.97Å; L28-P109 HydrophobicContact CD2-CG 4.18Å; L28-P109 WeakPolarHBondContact CD2-O 3.07Å; L28-F110 HydrophobicContact CD2-CD1 3.54Å; L28-F110 HydrophobicContact CD2-CE1 3.27Å; L28-F110 HydrophobicContact CD2-CE2 4.46Å; L28-F110 HydrophobicContact CD2-CG 4.26Å; L28-F110 HydrophobicContact CD2-CZ 3.8Å; L28-F110 HydrophobicContact CG-CE1 4.49Å
29R81.6Confident82.1Confident112 Ų11260.7 Ų60.742%0.42330%0.295SS..Hα-helixtrans-69.3-38.5178.1-81.9-169.472.9149.85.8112.7K25 L26 N35 F144K25-R29 WeakPolarHBondContact O-CG 3.4Å; K25-R29 PolarHBondContact O-N 2.81Å; K25-R29 VanDerWaalsContact O-N 3.15Å; L26-R29 PolarHBondContact O-N 3.17Å; R29-N35 PolarHBondContact O-ND2 3.39Å; R29-F144 HydrophobicContact CG-CD2 4.23Å; R29-F144 HydrophobicContact CG-CE2 3.93Å
30W84.6Confident82Confident49 Ų4968.9 Ų68.919%0.18633%0.333CS..SBendtrans-103.115.1-175.8-63.9113.3000113.1L26 A42 K45 F46L26-W30 PolarHBondContact O-N 2.71Å; W30-A42 HydrophobicContact CE3-CB 4.16Å; W30-A42 CarbonylContact O-C 3.59Å; W30-A42 WeakPolarHBondContact O-CB 3.23Å; W30-K45 HydrophobicContact CB-CB 4.3Å; W30-K45 HydrophobicContact CD2-CB 3.83Å; W30-K45 HydrophobicContact CD2-CD 3.63Å; W30-K45 HydrophobicContact CD2-CG 4.37Å; W30-K45 HydrophobicContact CE3-CB 4.33Å; W30-K45 HydrophobicContact CE3-CD 3.87Å; W30-K45 HydrophobicContact CG-CB 3.79Å; W30-K45 HydrophobicContact CG-CD 4.4Å; W30-K45 HydrophobicContact CH2-CD 3.54Å; W30-K45 HydrophobicContact CZ2-CD 3.26Å; W30-K45 VanDerWaalsContact CZ2-NZ 3.25Å; W30-K45 HydrophobicContact CZ3-CD 3.8Å; W30-F46 HydrophobicContact CB-CB 4.28Å
31H82.6Confident81.9Confident32 Ų3270.9 Ų70.915%0.14834%0.343CS..  trans-67.4136.5175.7-163.8-93.4000110.4A27 D33 K34 N35 F110A27-H31 WeakPolarHBondContact O-CB 3.49Å; A27-H31 PolarHBondContact O-N 3.17Å; A27-H31 VanDerWaalsContact O-N 3.08Å; H31-D33 WeakPolarHBondContact ND1-CB 3.32Å; H31-D33 PolarHBondContact ND1-N 2.92Å; H31-D33 VanDerWaalsContact ND1-N 3.2Å; H31-D33 PolarHBondContact O-N 2.72Å; H31-K34 PolarHBondContact O-N 2.68Å; H31-K34 VanDerWaalsContact O-N 3.14Å; H31-N35 PolarHBondContact O-N 2.85Å; H31-N35 PolarHBondContact O-ND2 2.85Å; H31-F110 HydrophobicContact CB-CZ 4.45Å
32P79.5Confident81.9Confident42 Ų4267.6 Ų67.627%0.27333%0.329SS..THydrogen-bonded Turntrans-62-27.4-178.522.9-34.1000113.2N35P32-N35 CarbonylContact O-C 3.48Å; P32-N35 PolarHBondContact O-N 2.8Å
33D78.2Confident81.8Confident121 Ų12173.3 Ų73.365%0.64735%0.354SS*.THydrogen-bonded Turntrans-65-36176.2-16857.1000113.1H31H31-D33 WeakPolarHBondContact ND1-CB 3.32Å; H31-D33 PolarHBondContact ND1-N 2.92Å; H31-D33 VanDerWaalsContact ND1-N 3.2Å; H31-D33 PolarHBondContact O-N 2.72Å
34K73.9Confident81.7Confident130 Ų13080 Ų8057%0.56538%0.383SS*.THydrogen-bonded Turntrans-86.3-16.3178.8-74.4-154.8178.1-133.20113.9H31 P36 F110H31-K34 PolarHBondContact O-N 2.68Å; H31-K34 VanDerWaalsContact O-N 3.14Å; K34-P36 WeakPolarHBondContact O-CD 3.37Å; K34-F110 HydrophobicContact CD-CD1 4.36Å; K34-F110 HydrophobicContact CD-CE1 3.91Å; K34-F110 HydrophobicContact CG-CE1 4.03Å
35N77Confident81.8Confident40 Ų4081.7 Ų81.721%0.21439%0.391CS..  trans-124.264.9-177.1-57.8-84.4000110.4R29 H31 P32 D37 N38 K39 A42R29-N35 PolarHBondContact O-ND2 3.39Å; H31-N35 PolarHBondContact O-N 2.85Å; H31-N35 PolarHBondContact O-ND2 2.85Å; P32-N35 CarbonylContact O-C 3.48Å; P32-N35 PolarHBondContact O-N 2.8Å; N35-D37 PolarHBondContact O-N 2.7Å; N35-N38 PolarHBondContact O-N 2.77Å; N35-K39 WeakPolarHBondContact O-CG 3.3Å; N35-K39 PolarHBondContact O-N 3.36Å; N35-A42 HydrophobicContact CB-CB 3.99Å
36P77.4Confident82Confident75 Ų7578.8 Ų78.849%0.48738%0.379SS..SBendtrans-64.1-25.3-179.927.2-35000112.9K34 K39K34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-K39 VanDerWaalsContact O-CE 3.29Å; P36-K39 WeakPolarHBondContact O-CE 3.42Å; P36-K39 WeakPolarHBondContact O-CG 3.44Å
37D80.9Confident82Confident148 Ų14883.5 Ų83.579%0.79140%0.398SS*.SBendtrans-84.4-28-178.6-54-47.2000113.2N35N35-D37 PolarHBondContact O-N 2.7Å
38N84.4Confident82.1Confident93 Ų9387.4 Ų87.450%0.49742%0.416SS..SBendtrans-122.443.7-175.5-75.5-19.7000111.9N35 E40 E41 A42N35-N38 PolarHBondContact O-N 2.77Å; N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 2.79Å; N38-E41 PolarHBondContact O-N 2.82Å; N38-A42 WeakPolarHBondContact O-CB 3.23Å; N38-A42 PolarHBondContact O-N 2.91Å
39K84.2Confident82.4Confident119 Ų11986.2 Ų86.252%0.51741%0.41SS..Hα-helixtrans-57-43-175-69179.5-176.7-178.70113.2N35 P36 A42 E43N35-K39 WeakPolarHBondContact O-CG 3.3Å; N35-K39 PolarHBondContact O-N 3.36Å; P36-K39 VanDerWaalsContact O-CE 3.29Å; P36-K39 WeakPolarHBondContact O-CE 3.42Å; P36-K39 WeakPolarHBondContact O-CG 3.44Å; K39-A42 PolarHBondContact O-N 2.96Å; K39-E43 WeakPolarHBondContact O-CB 3.5Å; K39-E43 PolarHBondContact O-N 2.71Å
40E84.1Confident82.6Confident173 Ų17381 Ų8181%0.80839%0.391SS*.Hα-helixtrans-65.8-43.8-177.3-63.3-175.9178.200112.6N38 K44N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 2.79Å; E40-K44 WeakPolarHBondContact O-CB 3.47Å; E40-K44 PolarHBondContact O-N 2.83Å
41E83.5Confident82.6Confident108 Ų10881.1 Ų81.151%0.50539%0.393SS..Hα-helixtrans-69.6-37.3176.3-69.4-163.5166.100112N38 K44 K45N38-E41 PolarHBondContact O-N 2.82Å; E41-K44 PolarHBondContact O-N 3.43Å; E41-K45 WeakPolarHBondContact O-CB 3.38Å; E41-K45 WeakPolarHBondContact O-CG 3.35Å; E41-K45 PolarHBondContact O-N 3.48Å
42A81.4Confident82.8Confident0 Ų079.6 Ų79.60%039%0.386CS..Hα-helixtrans-63.5-48.8177.200000111W30 N35 N38 K39 K44 K45 F46W30-A42 HydrophobicContact CE3-CB 4.16Å; W30-A42 CarbonylContact O-C 3.59Å; W30-A42 WeakPolarHBondContact O-CB 3.23Å; N35-A42 HydrophobicContact CB-CB 3.99Å; N38-A42 WeakPolarHBondContact O-CB 3.23Å; N38-A42 PolarHBondContact O-N 2.91Å; K39-A42 PolarHBondContact O-N 2.96Å; A42-K44 PolarHBondContact O-N 3.25Å; A42-K45 PolarHBondContact O-N 3.04Å; A42-F46 WeakPolarHBondContact O-CB 3.27Å; A42-F46 PolarHBondContact O-N 3.1Å
43E84.6Confident83.2Confident131 Ų13178.6 Ų78.661%0.61238%0.377SS*.Hα-helixtrans-59.4-45.9175.8-172.9-176163.400111.5K39 K45 F46 K47K39-E43 WeakPolarHBondContact O-CB 3.5Å; K39-E43 PolarHBondContact O-N 2.71Å; E43-K45 PolarHBondContact O-N 2.81Å; E43-F46 PolarHBondContact O-N 2.88Å; E43-K47 WeakPolarHBondContact O-CB 3.12Å; E43-K47 PolarHBondContact O-N 3.43Å
44K84.9Confident83.5Confident142 Ų14274.2 Ų74.262%0.61735%0.353SS*.Hα-helixtrans-60-45.5179-173.3176.3-179.2178.20111.9E40 E41 A42 Q48E40-K44 WeakPolarHBondContact O-CB 3.47Å; E40-K44 PolarHBondContact O-N 2.83Å; E41-K44 PolarHBondContact O-N 3.43Å; A42-K44 PolarHBondContact O-N 3.25Å; K44-Q48 VanDerWaalsContact O-CG 3.29Å; K44-Q48 WeakPolarHBondContact O-CG 3.24Å; K44-Q48 PolarHBondContact O-N 3.37Å
45K84.1Confident84Confident75 Ų7568.1 Ų68.133%0.32633%0.326SS..Hα-helixtrans-72-37.9178.1-73.5-178.1-177.9165.20112.1W30 E41 A42 E43 K47 Q48 V49W30-K45 HydrophobicContact CB-CB 4.3Å; W30-K45 HydrophobicContact CD2-CB 3.83Å; W30-K45 HydrophobicContact CD2-CD 3.63Å; W30-K45 HydrophobicContact CD2-CG 4.37Å; W30-K45 HydrophobicContact CE3-CB 4.33Å; W30-K45 HydrophobicContact CE3-CD 3.87Å; W30-K45 HydrophobicContact CG-CB 3.79Å; W30-K45 HydrophobicContact CG-CD 4.4Å; W30-K45 HydrophobicContact CH2-CD 3.54Å; W30-K45 HydrophobicContact CZ2-CD 3.26Å; W30-K45 VanDerWaalsContact CZ2-NZ 3.25Å; W30-K45 HydrophobicContact CZ3-CD 3.8Å; E41-K45 WeakPolarHBondContact O-CB 3.38Å; E41-K45 WeakPolarHBondContact O-CG 3.35Å; E41-K45 PolarHBondContact O-N 3.48Å; A42-K45 PolarHBondContact O-N 3.04Å; E43-K45 PolarHBondContact O-N 2.81Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 3.07Å; K45-Q48 PolarHBondContact O-N 2.73Å; K45-V49 WeakPolarHBondContact O-CB 3.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.48Å; K45-V49 PolarHBondContact O-N 3.21Å
46F85.4Confident84.3Confident1 Ų166.3 Ų66.30%0.00432%0.317CS..Hα-helixtrans-62.6-41.1177.2-177.5-110.6000111.9A27 W30 A42 E43 V49 S50 P96 E97 F100A27-F46 HydrophobicContact CB-CD2 4.41Å; A27-F46 HydrophobicContact CB-CE2 3.9Å; W30-F46 HydrophobicContact CB-CB 4.28Å; A42-F46 WeakPolarHBondContact O-CB 3.27Å; A42-F46 PolarHBondContact O-N 3.1Å; E43-F46 PolarHBondContact O-N 2.88Å; F46-V49 PolarHBondContact O-N 3.28Å; F46-S50 WeakPolarHBondContact O-CB 3.47Å; F46-S50 PolarHBondContact O-N 3.06Å; F46-S50 PolarHBondContact O-OG 3.09Å; F46-P96 HydrophobicContact CD1-CB 3.76Å; F46-P96 HydrophobicContact CD1-CG 3.86Å; F46-P96 HydrophobicContact CE1-CB 3.44Å; F46-P96 VanDerWaalsContact CE1-CB 3.44Å; F46-P96 HydrophobicContact CE1-CG 3.78Å; F46-P96 HydrophobicContact CZ-CB 4.22Å; F46-E97 VanDerWaalsContact CE1-OE1 3.27Å; F46-E97 WeakPolarHBondContact CE1-OE1 3.44Å; F46-F100 HydrophobicContact CE2-CD2 4.19Å; F46-F100 HydrophobicContact CZ-CB 4.08Å; F46-F100 HydrophobicContact CZ-CD2 4.29Å; F46-F100 HydrophobicContact CZ-CG 4.35Å
47K85.6Confident84.6Confident135 Ų13564.5 Ų64.559%0.58731%0.306SS*.Hα-helixtrans-61.2-48.5172.8-171173.5-176.2174.10111.6E43 K45 V49 S50 E51E43-K47 WeakPolarHBondContact O-CB 3.12Å; E43-K47 PolarHBondContact O-N 3.43Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 3.07Å; K47-V49 VanDerWaalsContact C-N 3.34Å; K47-V49 PolarHBondContact O-N 3.24Å; K47-S50 PolarHBondContact O-N 2.68Å; K47-E51 WeakPolarHBondContact O-CB 3.43Å; K47-E51 PolarHBondContact O-N 3.42Å
48Q85.4Confident84.7Confident81 Ų8160.1 Ų60.138%0.37928%0.283SS..Hα-helixtrans-60.9-41.2177.5-72.6176.9-27.900112.7V7 K44 K45 A52V7-Q48 HydrophobicContact CG1-CB 3.94Å; K44-Q48 VanDerWaalsContact O-CG 3.29Å; K44-Q48 WeakPolarHBondContact O-CG 3.24Å; K44-Q48 PolarHBondContact O-N 3.37Å; K45-Q48 PolarHBondContact O-N 2.73Å; Q48-A52 VanDerWaalsContact O-CB 3.3Å; Q48-A52 WeakPolarHBondContact O-CB 3.29Å; Q48-A52 PolarHBondContact O-N 2.66Å
49V87.6Confident84.6Confident3 Ų360.1 Ų60.12%0.01829%0.29CS..Hα-helixtrans-66.8-39.8178.9165.40000111.3V7 L8 Y23 L26 K45 F46 K47 Y53V7-V49 HydrophobicContact CG1-CG2 4.03Å; L8-V49 HydrophobicContact CD2-CG1 3.99Å; Y23-V49 HydrophobicContact CD2-CG1 3.52Å; Y23-V49 HydrophobicContact CE2-CG1 3.88Å; L26-V49 HydrophobicContact CB-CG1 3.77Å; L26-V49 HydrophobicContact CB-CG2 3.93Å; L26-V49 HydrophobicContact CD1-CG2 4.1Å; K45-V49 WeakPolarHBondContact O-CB 3.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.48Å; K45-V49 PolarHBondContact O-N 3.21Å; F46-V49 PolarHBondContact O-N 3.28Å; K47-V49 VanDerWaalsContact C-N 3.34Å; K47-V49 PolarHBondContact O-N 3.24Å; V49-Y53 WeakPolarHBondContact O-CB 3.46Å; V49-Y53 PolarHBondContact O-N 3.1Å
50S85.9Confident84.5Confident3 Ų361.6 Ų61.62%0.02130%0.296CS..Hα-helixtrans-69.8-42.1177-61.40000112.4Y23 F46 K47 Y53 E54 P96Y23-S50 PolarHBondContact OH-OG 2.65Å; F46-S50 WeakPolarHBondContact O-CB 3.47Å; F46-S50 PolarHBondContact O-N 3.06Å; F46-S50 PolarHBondContact O-OG 3.09Å; K47-S50 PolarHBondContact O-N 2.68Å; S50-Y53 PolarHBondContact O-N 2.86Å; S50-E54 PolarHBondContact O-N 3.36Å; S50-P96 VanDerWaalsContact CB-CB 3.47Å; S50-P96 VanDerWaalsContact OG-CB 3.23Å; S50-P96 WeakPolarHBondContact OG-CB 3.44Å
51E84.8Confident84.4Confident51 Ų5154 Ų5424%0.23826%0.26CS..Hα-helixtrans-59.3-48.7173.2179.6173.7-174.600111.3Y4 K47 Y53 E54 V55 F93Y4-E51 HydrophobicContact CE1-CG 3.85Å; Y4-E51 PolarHBondContact OH-OE1 3.5Å; Y4-E51 VanDerWaalsContact OH-OE1 3.13Å; K47-E51 WeakPolarHBondContact O-CB 3.43Å; K47-E51 PolarHBondContact O-N 3.42Å; E51-Y53 VanDerWaalsContact C-N 3.31Å; E51-Y53 PolarHBondContact O-N 2.77Å; E51-E54 PolarHBondContact O-N 2.69Å; E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 3.14Å; E51-F93 HydrophobicContact CB-CE1 4.2Å; E51-F93 HydrophobicContact CG-CD1 4.27Å; E51-F93 HydrophobicContact CG-CE1 3.57Å; E51-F93 HydrophobicContact CG-CZ 3.9Å
52A86.7Confident84.5Confident0 Ų050.8 Ų50.80%024%0.244CC..Hα-helixtrans-58.9-42.9177.100000112.1Y4 V7 L8 Q48 L56Y4-A52 HydrophobicContact CD1-CB 3.6Å; Y4-A52 HydrophobicContact CE1-CB 4.42Å; Y4-A52 HydrophobicContact CG-CB 4.04Å; V7-A52 HydrophobicContact CB-CB 4.3Å; V7-A52 HydrophobicContact CG1-CB 4.12Å; L8-A52 HydrophobicContact CD1-CB 4.12Å; L8-A52 HydrophobicContact CD2-CB 4.2Å; L8-A52 HydrophobicContact CG-CB 3.82Å; Q48-A52 VanDerWaalsContact O-CB 3.3Å; Q48-A52 WeakPolarHBondContact O-CB 3.29Å; Q48-A52 PolarHBondContact O-N 2.66Å; A52-L56 VanDerWaalsContact O-CB 3.25Å; A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 VanDerWaalsContact O-CG 3.29Å; A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 3.38Å
53Y86.8Confident84.4Confident21 Ų2154.2 Ų54.28%0.08227%0.268CS..Hα-helixtrans-66.5-42.5177.8177.8-104.5000112.2I19 K20 Y23 V49 S50 E51 V55 L56 S57 I99 F103I19-Y53 HydrophobicContact CG2-CD2 3.98Å; I19-Y53 HydrophobicContact CG2-CE2 4.39Å; K20-Y53 HydrophobicContact CB-CE2 4.33Å; K20-Y53 HydrophobicContact CG-CE2 3.62Å; Y23-Y53 AromaticContact CD1-CD1 3.99Å; Y23-Y53 HydrophobicContact CD1-CD1 3.99Å; Y23-Y53 HydrophobicContact CD1-CD2 4.09Å; Y23-Y53 HydrophobicContact CD1-CE1 4.26Å; Y23-Y53 HydrophobicContact CD1-CE2 4.37Å; Y23-Y53 AromaticContact CD1-CG 3.91Å; Y23-Y53 HydrophobicContact CD1-CG 3.91Å; Y23-Y53 HydrophobicContact CD2-CD1 4.23Å; Y23-Y53 HydrophobicContact CD2-CD2 4.27Å; Y23-Y53 AromaticContact CD2-CG 3.7Å; Y23-Y53 HydrophobicContact CD2-CG 3.7Å; Y23-Y53 HydrophobicContact CE1-CD1 4.08Å; Y23-Y53 HydrophobicContact CE1-CE1 4.38Å; Y23-Y53 HydrophobicContact CE1-CG 4.38Å; Y23-Y53 HydrophobicContact CE2-CD1 4.35Å; Y23-Y53 HydrophobicContact CE2-CG 4.23Å; Y23-Y53 HydrophobicContact CG-CD1 4.07Å; Y23-Y53 AromaticContact CG-CD2 3.7Å; Y23-Y53 HydrophobicContact CG-CD2 3.7Å; Y23-Y53 HydrophobicContact CG-CE2 4.38Å; Y23-Y53 AromaticContact CG-CG 3.53Å; Y23-Y53 HydrophobicContact CG-CG 3.53Å; V49-Y53 WeakPolarHBondContact O-CB 3.46Å; V49-Y53 PolarHBondContact O-N 3.1Å; S50-Y53 PolarHBondContact O-N 2.86Å; E51-Y53 VanDerWaalsContact C-N 3.31Å; E51-Y53 PolarHBondContact O-N 2.77Å; Y53-V55 VanDerWaalsContact C-N 3.27Å; Y53-V55 PolarHBondContact O-N 3.06Å; Y53-L56 PolarHBondContact O-N 3.25Å; Y53-S57 WeakPolarHBondContact O-CB 3.11Å; Y53-S57 PolarHBondContact O-N 3.23Å; Y53-S57 PolarHBondContact O-OG 2.92Å; Y53-I99 HydrophobicContact CD1-CG2 4.5Å; Y53-F103 HydrophobicContact CE1-CD2 4.05Å; Y53-F103 HydrophobicContact CE1-CE2 4.34Å; Y53-F103 HydrophobicContact CE2-CE2 4.46Å; Y53-F103 AromaticContact CZ-CD2 3.94Å; Y53-F103 AromaticContact CZ-CE2 3.78Å; Y53-F103 VanDerWaalsContact OH-CE2 3.25Å; Y53-F103 WeakPolarHBondContact OH-CE2 3.43Å
54E84.3Confident84.2Confident30 Ų3051.9 Ų51.914%0.1426%0.259CS..Hα-helixtrans-60.8-37.4179.5-161.2-169.5146.900112.2S50 E51 K61 F93S50-E54 PolarHBondContact O-N 3.36Å; E51-E54 PolarHBondContact O-N 2.69Å; E54-K61 WeakPolarHBondContact O-CD 3.43Å; E54-K61 IonicContact OE1-NZ 3.2Å; E54-K61 PolarHBondContact OE1-NZ 3.35Å; E54-F93 WeakPolarHBondContact OE2-CD1 3.09Å
55V83.9Confident83.8Confident1 Ų146.3 Ų46.31%0.00623%0.234CC..Hα-helixtrans-77.9-45.2178.5179.80000111.2Y4 E51 Y53 K61 R62 Y65 F87Y4-V55 HydrophobicContact CD2-CB 4.19Å; Y4-V55 HydrophobicContact CD2-CG1 4.01Å; Y4-V55 HydrophobicContact CE2-CB 3.98Å; Y4-V55 HydrophobicContact CE2-CG1 3.83Å; Y4-V55 HydrophobicContact CE2-CG2 3.88Å; E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 3.14Å; Y53-V55 VanDerWaalsContact C-N 3.27Å; Y53-V55 PolarHBondContact O-N 3.06Å; V55-K61 HydrophobicContact CG1-CB 4.42Å; V55-K61 CarbonylContact O-C 3.47Å; V55-K61 VanDerWaalsContact O-CB 3.23Å; V55-K61 WeakPolarHBondContact O-CB 3.41Å; V55-R62 PolarHBondContact O-N 3.41Å; V55-R62 VanDerWaalsContact O-N 3.12Å; V55-Y65 HydrophobicContact CG1-CD2 4.25Å; V55-Y65 HydrophobicContact CG1-CG 4.12Å; V55-F87 HydrophobicContact CG1-CE1 4.36Å; V55-F87 HydrophobicContact CG1-CZ 4Å; V55-F87 HydrophobicContact CG2-CE1 3.95Å; V55-F87 HydrophobicContact CG2-CZ 4.33Å
56L84.8Confident83.6Confident2 Ų246.6 Ų46.61%0.0124%0.239CC..Hα-helixtrans-82.8-20.7-173.2-66.4-179.9000114.2Y5 L8 I19 A52 Y53 R62 Y65Y5-L56 HydrophobicContact CD1-CD1 3.83Å; Y5-L56 HydrophobicContact CD1-CD2 4.31Å; Y5-L56 HydrophobicContact CE1-CD1 3.97Å; Y5-L56 HydrophobicContact CE1-CD2 3.68Å; Y5-L56 HydrophobicContact CE1-CG 4.45Å; Y5-L56 HydrophobicContact CE2-CD2 4.01Å; Y5-L56 HydrophobicContact CG-CD1 4.27Å; L8-L56 HydrophobicContact CD1-CD1 3.81Å; I19-L56 HydrophobicContact CD1-CB 4.14Å; I19-L56 HydrophobicContact CG2-CB 3.98Å; A52-L56 VanDerWaalsContact O-CB 3.25Å; A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 VanDerWaalsContact O-CG 3.29Å; A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 3.38Å; Y53-L56 PolarHBondContact O-N 3.25Å; L56-R62 HydrophobicContact CD2-CG 4.22Å; L56-Y65 HydrophobicContact CD2-CD1 4.19Å; L56-Y65 HydrophobicContact CD2-CE1 4.5Å
57S82.2Confident83Confident38 Ų3857 Ų5727%0.26628%0.278SS..Hα-helixtrans-75.9-31.8-179.962.70000113.4Y53Y53-S57 WeakPolarHBondContact O-CB 3.11Å; Y53-S57 PolarHBondContact O-N 3.23Å; Y53-S57 PolarHBondContact O-OG 2.92Å
58D83.7Confident82.1Confident56 Ų5652.9 Ų52.930%0.29927%0.27SS..SBendtrans-90.3120.4176.3-173.9-15.9000110.3K60 K61 R62D58-K60 PolarHBondContact O-N 3.47Å; D58-K60 VanDerWaalsContact O-N 3.11Å; D58-K60 WeakPolarHBondContact OD1-CB 3.31Å; D58-K60 PolarHBondContact OD1-N 2.84Å; D58-K61 HydrophobicContact CB-CB 4.1Å; D58-K61 HydrophobicContact CB-CD 4.14Å; D58-K61 HydrophobicContact CB-CG 4.11Å; D58-K61 PolarHBondContact O-N 2.95Å; D58-K61 VanDerWaalsContact O-N 3.11Å; D58-R62 WeakPolarHBondContact O-CB 3.4Å; D58-R62 PolarHBondContact O-N 3.21Å
59S82.7Confident80.5Confident93 Ų9350.4 Ų50.465%0.6527%0.266SS*.Hα-helixtrans-48.9-36.3174.360.90000114S63S59-S63 VanDerWaalsContact O-CB 3.24Å; S59-S63 WeakPolarHBondContact O-CB 3.48Å; S59-S63 PolarHBondContact O-N 2.82Å
60K82.6Confident78.8Confident150 Ų15054 Ų5465%0.65229%0.291SS*.Hα-helixtrans-71.7-47.7179.4-66.7178.5-179.6175.20111D58 S63 L64D58-K60 PolarHBondContact O-N 3.47Å; D58-K60 VanDerWaalsContact O-N 3.11Å; D58-K60 WeakPolarHBondContact OD1-CB 3.31Å; D58-K60 PolarHBondContact OD1-N 2.84Å; K60-S63 PolarHBondContact O-N 3.23Å; K60-L64 WeakPolarHBondContact O-CB 3.33Å; K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 3.15Å
61K82.3Confident76.8Confident12 Ų1258.9 Ų58.95%0.05232%0.317CS..Hα-helixtrans-67.7-39.3178.5-68.3-179.6173.2-177.20111.7E54 V55 D58 L64 Y65 F87 Y91E54-K61 WeakPolarHBondContact O-CD 3.43Å; E54-K61 IonicContact OE1-NZ 3.2Å; E54-K61 PolarHBondContact OE1-NZ 3.35Å; V55-K61 HydrophobicContact CG1-CB 4.42Å; V55-K61 CarbonylContact O-C 3.47Å; V55-K61 VanDerWaalsContact O-CB 3.23Å; V55-K61 WeakPolarHBondContact O-CB 3.41Å; D58-K61 HydrophobicContact CB-CB 4.1Å; D58-K61 HydrophobicContact CB-CD 4.14Å; D58-K61 HydrophobicContact CB-CG 4.11Å; D58-K61 PolarHBondContact O-N 2.95Å; D58-K61 VanDerWaalsContact O-N 3.11Å; K61-L64 PolarHBondContact O-N 3.3Å; K61-Y65 WeakPolarHBondContact O-CB 3.16Å; K61-Y65 PolarHBondContact O-N 3.29Å; K61-F87 HydrophobicContact CB-CE1 4.18Å; K61-F87 HydrophobicContact CB-CZ 4.23Å; K61-F87 HydrophobicContact CD-CE1 4.04Å; K61-F87 HydrophobicContact CG-CE1 3.99Å; K61-F87 HydrophobicContact CG-CZ 4.43Å; K61-Y91 VanDerWaalsContact NZ-CD1 3.28Å
62R84.5Confident75Confident42 Ų4260.3 Ų60.316%0.15833%0.332CS..Hα-helixtrans-62.2-47.4173.5-176.4176.2-179.8177.11.8111.3Y5 A12 A14 V55 L56 D58 L64 Y65 D66Y5-R62 PolarHBondContact OH-NE 3.27Å; Y5-R62 VanDerWaalsContact OH-NE 3.08Å; A12-R62 PolarHBondContact O-NH2 3.36Å; A14-R62 PolarHBondContact O-NH1 2.8Å; A14-R62 PolarHBondContact O-NH2 3.25Å; V55-R62 PolarHBondContact O-N 3.41Å; V55-R62 VanDerWaalsContact O-N 3.12Å; L56-R62 HydrophobicContact CD2-CG 4.22Å; D58-R62 WeakPolarHBondContact O-CB 3.4Å; D58-R62 PolarHBondContact O-N 3.21Å; R62-L64 VanDerWaalsContact C-N 3.3Å; R62-L64 PolarHBondContact O-N 3.01Å; R62-Y65 WeakPolarHBondContact O-CB 3.25Å; R62-Y65 PolarHBondContact O-N 3.21Å; R62-Y65 VanDerWaalsContact O-N 3.15Å; R62-D66 WeakPolarHBondContact CG-OD2 3.39Å; R62-D66 IonicContact NE-OD2 3.77Å; R62-D66 WeakPolarHBondContact O-CB 3.45Å; R62-D66 PolarHBondContact O-N 3.44Å
63S80.6Confident73.2Confident72 Ų7264.3 Ų64.350%0.50335%0.347SS..Hα-helixtrans-62.9-37.6176.3-178.80000112.1S59 K60 R67S59-S63 VanDerWaalsContact O-CB 3.24Å; S59-S63 WeakPolarHBondContact O-CB 3.48Å; S59-S63 PolarHBondContact O-N 2.82Å; K60-S63 PolarHBondContact O-N 3.23Å; S63-R67 WeakPolarHBondContact O-CB 3.29Å; S63-R67 PolarHBondContact O-N 3.23Å
64L79Confident71.3Confident82 Ų8272.6 Ų72.643%0.42938%0.378SS..Hα-helixtrans-64.7-41.8172.7-74.9168.8000112K60 K61 R62 R67 A68K60-L64 WeakPolarHBondContact O-CB 3.33Å; K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 3.15Å; K61-L64 PolarHBondContact O-N 3.3Å; R62-L64 VanDerWaalsContact C-N 3.3Å; R62-L64 PolarHBondContact O-N 3.01Å; L64-R67 PolarHBondContact O-N 3.33Å; L64-A68 WeakPolarHBondContact O-CB 3.45Å; L64-A68 PolarHBondContact O-N 3.26Å
65Y77.5Confident69.2Low25 Ų2574.8 Ų74.810%0.09840%0.402CS..Hα-helixtrans-64.3-47.6176.2-179.4-104.4000111.8Y4 Y5 V55 L56 K61 R62 R67 A68 G69Y4-Y65 HydrophobicContact CD2-CD1 4.37Å; Y4-Y65 AromaticContact CD2-CD2 3.67Å; Y4-Y65 HydrophobicContact CD2-CD2 3.67Å; Y4-Y65 AromaticContact CD2-CE1 3.97Å; Y4-Y65 HydrophobicContact CD2-CE1 3.97Å; Y4-Y65 AromaticContact CD2-CE2 3.22Å; Y4-Y65 HydrophobicContact CD2-CE2 3.22Å; Y4-Y65 HydrophobicContact CD2-CG 4.22Å; Y4-Y65 AromaticContact CD2-CZ 3.37Å; Y4-Y65 AromaticContact CE2-CD2 3.7Å; Y4-Y65 HydrophobicContact CE2-CD2 3.7Å; Y4-Y65 AromaticContact CE2-CE2 3.42Å; Y4-Y65 HydrophobicContact CE2-CE2 3.42Å; Y4-Y65 VanDerWaalsContact CE2-CE2 3.42Å; Y4-Y65 HydrophobicContact CG-CE2 4.29Å; Y4-Y65 PolarHBondContact N-OH 3.18Å; Y5-Y65 HydrophobicContact CD2-CE1 4.12Å; Y5-Y65 HydrophobicContact CE2-CD1 4.11Å; Y5-Y65 AromaticContact CE2-CE1 3.75Å; Y5-Y65 HydrophobicContact CE2-CE1 3.75Å; V55-Y65 HydrophobicContact CG1-CD2 4.25Å; V55-Y65 HydrophobicContact CG1-CG 4.12Å; L56-Y65 HydrophobicContact CD2-CD1 4.19Å; L56-Y65 HydrophobicContact CD2-CE1 4.5Å; K61-Y65 WeakPolarHBondContact O-CB 3.16Å; K61-Y65 PolarHBondContact O-N 3.29Å; R62-Y65 WeakPolarHBondContact O-CB 3.25Å; R62-Y65 PolarHBondContact O-N 3.21Å; R62-Y65 VanDerWaalsContact O-N 3.15Å; Y65-R67 VanDerWaalsContact C-N 3.33Å; Y65-R67 PolarHBondContact O-N 3.43Å; Y65-A68 PolarHBondContact O-N 2.93Å; Y65-G69 PolarHBondContact O-N 3.2Å
66D80Confident67.1Low81 Ų8177.3 Ų77.343%0.43343%0.428SS..Hα-helixtrans-66-36.3178.6-64.2-23.5000111.1Y5 R62 G69Y5-D66 PolarHBondContact OH-OD1 3.08Å; Y5-D66 PolarHBondContact OH-OD2 3.14Å; R62-D66 WeakPolarHBondContact CG-OD2 3.39Å; R62-D66 IonicContact NE-OD2 3.77Å; R62-D66 WeakPolarHBondContact O-CB 3.45Å; R62-D66 PolarHBondContact O-N 3.44Å; D66-G69 PolarHBondContact O-N 2.84Å
67R72.3Confident65.3Low218 Ų21881.5 Ų81.582%0.82347%0.472SS*.Hα-helixtrans-79.3-32.7178.3-179.9174160.5167.8-4.7113.8S63 L64 Y65 G69S63-R67 WeakPolarHBondContact O-CB 3.29Å; S63-R67 PolarHBondContact O-N 3.23Å; L64-R67 PolarHBondContact O-N 3.33Å; Y65-R67 VanDerWaalsContact C-N 3.33Å; Y65-R67 PolarHBondContact O-N 3.43Å; R67-G69 PolarHBondContact O-N 3.01Å; R67-G69 VanDerWaalsContact O-N 3.16Å
68A66.3Low63.9Low49 Ų4983.3 Ų83.341%0.40550%0.496SS..Hα-helixtrans-63.5-15.1173.200000111.4L64 Y65 S72L64-A68 WeakPolarHBondContact O-CB 3.45Å; L64-A68 PolarHBondContact O-N 3.26Å; Y65-A68 PolarHBondContact O-N 2.93Å; A68-S72 WeakPolarHBondContact O-CB 3.34Å
69G53.1Low61.9Low30 Ų3084.3 Ų84.331%0.30951%0.512SS..Hα-helixtrans72.4139.6-179.800000109.9Y65 D66 R67 D71 S72Y65-G69 PolarHBondContact O-N 3.2Å; D66-G69 PolarHBondContact O-N 2.84Å; R67-G69 PolarHBondContact O-N 3.01Å; R67-G69 VanDerWaalsContact O-N 3.16Å; G69-D71 PolarHBondContact O-N 3.46Å; G69-S72 PolarHBondContact O-N 2.88Å
70C49.9Very low60.1Low78 Ų7886.1 Ų86.153%0.52753%0.525SS..Hα-helixtrans-48.2-14.6169.7-169.50000113.5N3N3-C70 PolarHBondContact OD1-SG 2.98Å
71D44.7Very low58Low106 Ų10684.1 Ų84.157%0.56753%0.526SS*.Hα-helixtrans-87.8-29.5-178.8-131.7-109.4000114.9G69 W73 R74 A75G69-D71 PolarHBondContact O-N 3.46Å; D71-W73 PolarHBondContact O-N 2.87Å; D71-R74 WeakPolarHBondContact O-CB 3.48Å; D71-R74 PolarHBondContact O-N 3.45Å; D71-R74 IonicContact OD2-NH1 2.72Å; D71-A75 PolarHBondContact O-N 2.99Å; D71-A75 VanDerWaalsContact O-N 3.16Å
72S48.3Very low56Low80 Ų8090 Ų9056%0.55957%0.565SS**Hα-helixtrans-73.4-14.5-179.9-164.20000113.3A68 G69A68-S72 WeakPolarHBondContact O-CB 3.34Å; G69-S72 PolarHBondContact O-N 2.88Å
73W48.1Very low53.9Low85 Ų8597.8 Ų97.832%0.32260%0.596SS.*THydrogen-bonded Turntrans-98.7-12.3167.9-94.848.1000113.2Y4 D71Y4-W73 HydrophobicContact CE1-CH2 4.39Å; Y4-W73 HydrophobicContact CE1-CZ3 4.22Å; Y4-W73 HydrophobicContact CE2-CH2 4.33Å; Y4-W73 HydrophobicContact CE2-CZ3 4.38Å; Y4-W73 AromaticContact CZ-CH2 3.63Å; Y4-W73 AromaticContact CZ-CZ3 3.75Å; Y4-W73 WeakPolarHBondContact OH-CH2 3.1Å; Y4-W73 WeakPolarHBondContact OH-CZ2 3.2Å; Y4-W73 WeakPolarHBondContact OH-CZ3 3.49Å; D71-W73 PolarHBondContact O-N 2.87Å
74R46Very low52.2Low194 Ų19496 Ų9673%0.73259%0.589SS**THydrogen-bonded Turntrans-80.1-24.2175.7-148.3172179.6-127.2-1.9111.3D71 G76D71-R74 WeakPolarHBondContact O-CB 3.48Å; D71-R74 PolarHBondContact O-N 3.45Å; D71-R74 IonicContact OD2-NH1 2.72Å; R74-G76 PolarHBondContact O-N 3.37Å; R74-G76 VanDerWaalsContact O-N 3.1Å
75A39.9Very low50.8Low77 Ų7794.7 Ų94.764%0.63659%0.587SS**SBendtrans-78.282169.800000111.7D71D71-A75 PolarHBondContact O-N 2.99Å; D71-A75 VanDerWaalsContact O-N 3.16Å
76G39.9Very low49.4Very low53 Ų5397.5 Ų97.555%0.54661%0.608SS.*  trans67.8109.8134.900000118.1R74 G78R74-G76 PolarHBondContact O-N 3.37Å; R74-G76 VanDerWaalsContact O-N 3.1Å; G76-G78 PolarHBondContact O-N 2.94Å
77G48.9Very low48Very low91 Ų9194.6 Ų94.694%0.93859%0.592SS**SBendtrans-50.8113133.900000108.3
78G52.7Low46.9Very low76 Ų7690.1 Ų90.178%0.78458%0.584SS**  trans101.880.9176.200000114.7G76G76-G78 PolarHBondContact O-N 2.94Å
79A40Very low45.8Very low77 Ų7793.5 Ų93.564%0.63660%0.6SS**  trans-179.8105.9140.500000110.1T81A79-T81 PolarHBondContact O-N 3.15Å; A79-T81 PolarHBondContact O-OG1 3.35Å
80S46.1Very low45.3Very low131 Ų13195.1 Ų95.192%0.91662%0.616SS**  trans20.977.8136-40.60000116.8
81T38.3Very low45.3Very low108 Ų10896.3 Ų96.366%0.66361%0.61SS**  trans-118.2118.8160.2-49.30000107.4A79 Y83A79-T81 PolarHBondContact O-N 3.15Å; A79-T81 PolarHBondContact O-OG1 3.35Å; T81-Y83 PolarHBondContact O-N 2.95Å
82P41Very low45.7Very low136 Ų13697.1 Ų97.188%0.88362%0.619SS**SBendtrans-75.315.9-177.830.4-33.9000113.5
83Y40.4Very low46.2Very low204 Ų20497.2 Ų97.280%0.861%0.61SS**SBendtrans-121.4108.8175.3-123.4-99.2000106.7T81T81-Y83 PolarHBondContact O-N 2.95Å
84G44.1Very low47.1Very low36 Ų3699.8 Ų99.837%0.37162%0.619SS.*  trans-49.8144.4178.600000110.8
85S48.8Very low48.4Very low53 Ų5395.6 Ų95.637%0.37161%0.611SS.*  trans-45.9138169-179.80000108F87 D88S85-F87 PolarHBondContact O-N 3.33Å; S85-D88 WeakPolarHBondContact O-CB 3.47Å; S85-D88 PolarHBondContact O-N 3.36Å
86P49.6Very low49.9Very low84 Ų8493 Ų9355%0.54559%0.588SS.*THydrogen-bonded Turntrans-59.5-4.4177.622.2-31.8000113.5
87F49.4Very low51.4Low21 Ų2193.9 Ų93.99%0.09258%0.578CS.*THydrogen-bonded Turntrans-101.5-7.8171.7-69.6-87.2000114.6V55 K61 S85 Y91V55-F87 HydrophobicContact CG1-CE1 4.36Å; V55-F87 HydrophobicContact CG1-CZ 4Å; V55-F87 HydrophobicContact CG2-CE1 3.95Å; V55-F87 HydrophobicContact CG2-CZ 4.33Å; K61-F87 HydrophobicContact CB-CE1 4.18Å; K61-F87 HydrophobicContact CB-CZ 4.23Å; K61-F87 HydrophobicContact CD-CE1 4.04Å; K61-F87 HydrophobicContact CG-CE1 3.99Å; K61-F87 HydrophobicContact CG-CZ 4.43Å; S85-F87 PolarHBondContact O-N 3.33Å; F87-Y91 HydrophobicContact CD1-CD2 4.46Å
88D50.4Low52.6Low124 Ų12492.9 Ų92.966%0.66355%0.551SS**THydrogen-bonded Turntrans-90.4-25.1-173.3-169.965.3000113.3S85 G90S85-D88 WeakPolarHBondContact O-CB 3.47Å; S85-D88 PolarHBondContact O-N 3.36Å; D88-G90 PolarHBondContact O-N 3.38Å
89T42Very low53.6Low120 Ų12090.1 Ų90.174%0.73652%0.518SS*.THydrogen-bonded Turntrans-99.233.8-171.162.70000114.7
90G43.4Very low55.2Low63 Ų6387.2 Ų87.265%0.64949%0.491SS*.THydrogen-bonded Turntrans152.5-5.6173.400000117.2D88 T92D88-G90 PolarHBondContact O-N 3.38Å; G90-T92 PolarHBondContact O-N 3.21Å
91Y48.5Very low56.6Low104 Ų10489.5 Ų89.541%0.40848%0.48SS..  trans-93.884169-68.6-76.9000108.8K61 F87 F93K61-Y91 VanDerWaalsContact NZ-CD1 3.28Å; F87-Y91 HydrophobicContact CD1-CD2 4.46Å; Y91-F93 PolarHBondContact O-N 3.12Å
92T54.7Low58.3Low123 Ų12390.1 Ų90.176%0.75548%0.475SS*.  trans-63104.6162.7-53.30000106.6G90 R94G90-T92 PolarHBondContact O-N 3.21Å; T92-R94 PolarHBondContact O-N 3.09Å
93F58.7Low59.8Low81 Ų8186.2 Ų86.236%0.35544%0.444SS..  trans-49.1111.7168.6-81.9-78.6000107.3E51 E54 Y91E51-F93 HydrophobicContact CB-CE1 4.2Å; E51-F93 HydrophobicContact CG-CD1 4.27Å; E51-F93 HydrophobicContact CG-CE1 3.57Å; E51-F93 HydrophobicContact CG-CZ 3.9Å; E54-F93 WeakPolarHBondContact OE2-CD1 3.09Å; Y91-F93 PolarHBondContact O-N 3.12Å
94R65.9Low61.2Low140 Ų14076.8 Ų76.853%0.52841%0.408SS..  trans-64.8156.6-179.3-65.5-172.5-172.1171.42.9108.3T92 I99 E102T92-R94 PolarHBondContact O-N 3.09Å; R94-I99 HydrophobicContact CB-CD1 3.99Å; R94-I99 HydrophobicContact CB-CG1 3.71Å; R94-E102 IonicContact CZ-OE2 2.73Å; R94-E102 VanDerWaalsContact NH1-CD 3.25Å; R94-E102 IonicContact NH1-OE1 3.89Å; R94-E102 PolarHBondContact NH1-OE1 3.32Å; R94-E102 IonicContact NH1-OE2 3.89Å; R94-E102 PolarHBondContact NH1-OE2 2.83Å
95N73.6Confident62.1Low105 Ų10578.1 Ų78.156%0.56142%0.421SS*.  trans-54.6134172.8-65.2-63.2000108.4E97 D98 I99N95-E97 PolarHBondContact O-N 2.94Å; N95-D98 HydrophobicContact CB-CB 4.18Å; N95-D98 WeakPolarHBondContact CB-OD2 3.5Å; N95-D98 PolarHBondContact ND2-OD2 3.49Å; N95-D98 WeakPolarHBondContact O-CA 3.36Å; N95-D98 WeakPolarHBondContact O-CB 3.2Å; N95-D98 PolarHBondContact O-N 2.84Å; N95-I99 PolarHBondContact O-N 3.17Å
96P71.1Confident62.4Low23 Ų2379.3 Ų79.315%0.14944%0.442CS..Hα-helixtrans-62.4-31.1-177.527-33.3000110.8F46 S50 I99 F100F46-P96 HydrophobicContact CD1-CB 3.76Å; F46-P96 HydrophobicContact CD1-CG 3.86Å; F46-P96 HydrophobicContact CE1-CB 3.44Å; F46-P96 VanDerWaalsContact CE1-CB 3.44Å; F46-P96 HydrophobicContact CE1-CG 3.78Å; F46-P96 HydrophobicContact CZ-CB 4.22Å; S50-P96 VanDerWaalsContact CB-CB 3.47Å; S50-P96 VanDerWaalsContact OG-CB 3.23Å; S50-P96 WeakPolarHBondContact OG-CB 3.44Å; P96-I99 PolarHBondContact O-N 2.9Å; P96-F100 VanDerWaalsContact O-CB 3.28Å; P96-F100 WeakPolarHBondContact O-CB 3.49Å; P96-F100 PolarHBondContact O-N 3.07Å
97E72.1Confident62.8Low72 Ų7280.7 Ų80.734%0.33645%0.445SS..Hα-helixtrans-60.1-39.6167.7-85.866.3-154.100113.4F46 N95 F100 R101F46-E97 VanDerWaalsContact CE1-OE1 3.27Å; F46-E97 WeakPolarHBondContact CE1-OE1 3.44Å; N95-E97 PolarHBondContact O-N 2.94Å; E97-F100 PolarHBondContact O-N 3.36Å; E97-R101 WeakPolarHBondContact O-CB 3.5Å; E97-R101 WeakPolarHBondContact O-CG 3.42Å; E97-R101 PolarHBondContact O-N 3.49Å
98D73.3Confident63.3Low70 Ų7085.3 Ų85.337%0.37447%0.47SS..Hα-helixtrans-72.1-40-180-68.7-33.6000110.8N95 F100 R101 E102N95-D98 HydrophobicContact CB-CB 4.18Å; N95-D98 WeakPolarHBondContact CB-OD2 3.5Å; N95-D98 PolarHBondContact ND2-OD2 3.49Å; N95-D98 WeakPolarHBondContact O-CA 3.36Å; N95-D98 WeakPolarHBondContact O-CB 3.2Å; N95-D98 PolarHBondContact O-N 2.84Å; D98-F100 VanDerWaalsContact C-N 3.3Å; D98-F100 PolarHBondContact O-N 3.48Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-E102 VanDerWaalsContact O-CB 3.24Å; D98-E102 WeakPolarHBondContact O-CB 3.44Å; D98-E102 PolarHBondContact O-N 2.78Å
99I73.1Confident63.8Low18 Ų1880.2 Ų80.29%0.09244%0.444CS..Hα-helixtrans-61.4-43.3172.9-59.8171.1000109.9Y53 R94 N95 P96 E102 F103Y53-I99 HydrophobicContact CD1-CG2 4.5Å; R94-I99 HydrophobicContact CB-CD1 3.99Å; R94-I99 HydrophobicContact CB-CG1 3.71Å; N95-I99 PolarHBondContact O-N 3.17Å; P96-I99 PolarHBondContact O-N 2.9Å; I99-E102 PolarHBondContact O-N 2.83Å; I99-F103 WeakPolarHBondContact O-CB 3.2Å; I99-F103 PolarHBondContact O-N 2.9Å
100F74.6Confident64.8Low15 Ų1578.6 Ų78.67%0.06643%0.427CS..Hα-helixtrans-62-49.9176-176.3-91.1000110.6A27 L28 F46 P96 E97 D98 E102 F103 F104 P109A27-F100 HydrophobicContact CB-CD2 3.8Å; A27-F100 HydrophobicContact CB-CE2 3.73Å; L28-F100 HydrophobicContact CD2-CZ 4.17Å; F46-F100 HydrophobicContact CE2-CD2 4.19Å; F46-F100 HydrophobicContact CZ-CB 4.08Å; F46-F100 HydrophobicContact CZ-CD2 4.29Å; F46-F100 HydrophobicContact CZ-CG 4.35Å; P96-F100 VanDerWaalsContact O-CB 3.28Å; P96-F100 WeakPolarHBondContact O-CB 3.49Å; P96-F100 PolarHBondContact O-N 3.07Å; E97-F100 PolarHBondContact O-N 3.36Å; D98-F100 VanDerWaalsContact C-N 3.3Å; D98-F100 PolarHBondContact O-N 3.48Å; F100-E102 VanDerWaalsContact C-N 3.32Å; F100-E102 PolarHBondContact O-N 3.42Å; F100-F103 PolarHBondContact O-N 3.42Å; F100-F103 VanDerWaalsContact O-N 3.17Å; F100-F104 AromaticContact CD1-CD2 3.93Å; F100-F104 HydrophobicContact CD1-CD2 3.93Å; F100-F104 HydrophobicContact CD1-CE2 4.45Å; F100-F104 AromaticContact CD2-CD2 3.51Å; F100-F104 HydrophobicContact CD2-CD2 3.51Å; F100-F104 AromaticContact CD2-CE2 3.23Å; F100-F104 HydrophobicContact CD2-CE2 3.23Å; F100-F104 HydrophobicContact CD2-CZ 4.27Å; F100-F104 AromaticContact CE1-CD2 3.9Å; F100-F104 HydrophobicContact CE1-CD2 3.9Å; F100-F104 HydrophobicContact CE1-CE2 4.32Å; F100-F104 HydrophobicContact CE1-CG 4.49Å; F100-F104 AromaticContact CE2-CD2 3.48Å; F100-F104 HydrophobicContact CE2-CD2 3.48Å; F100-F104 VanDerWaalsContact CE2-CD2 3.48Å; F100-F104 AromaticContact CE2-CE2 3.04Å; F100-F104 HydrophobicContact CE2-CE2 3.04Å; F100-F104 AromaticContact CE2-CZ 3.7Å; F100-F104 HydrophobicContact CE2-CZ 3.7Å; F100-F104 AromaticContact CG-CD2 3.74Å; F100-F104 HydrophobicContact CG-CD2 3.74Å; F100-F104 AromaticContact CG-CE2 3.96Å; F100-F104 HydrophobicContact CG-CE2 3.96Å; F100-F104 AromaticContact CZ-CD2 3.67Å; F100-F104 HydrophobicContact CZ-CD2 3.67Å; F100-F104 AromaticContact CZ-CE2 3.65Å; F100-F104 HydrophobicContact CZ-CE2 3.65Å; F100-F104 HydrophobicContact CZ-CG 4.36Å; F100-F104 HydrophobicContact CZ-CZ 4.18Å; F100-F104 WeakPolarHBondContact O-CB 3.12Å; F100-F104 WeakPolarHBondContact O-CD2 3.33Å; F100-F104 PolarHBondContact O-N 3.14Å; F100-P109 HydrophobicContact CE1-CB 4.39Å; F100-P109 HydrophobicContact CE1-CG 3.74Å; F100-P109 HydrophobicContact CZ-CB 3.9Å; F100-P109 HydrophobicContact CZ-CG 3.56Å
101R75.9Confident65.5Low179 Ų17977.7 Ų77.768%0.67541%0.411SS*.Hα-helixtrans-61.9-39.3179.1-70.8171.290.1-177.99.3112.6E97 D98 G105E97-R101 WeakPolarHBondContact O-CB 3.5Å; E97-R101 WeakPolarHBondContact O-CG 3.42Å; E97-R101 PolarHBondContact O-N 3.49Å; D98-R101 PolarHBondContact O-N 2.83Å; R101-G105 WeakPolarHBondContact O-CA 3.34Å; R101-G105 PolarHBondContact O-N 2.89Å
102E74.6Confident65.6Low121 Ų12176.6 Ų76.657%0.56541%0.408SS*.Hα-helixtrans-66.3-42.8174.4-178176.7-174.400111.5R94 D98 I99 F100 G105R94-E102 IonicContact CZ-OE2 2.73Å; R94-E102 VanDerWaalsContact NH1-CD 3.25Å; R94-E102 IonicContact NH1-OE1 3.89Å; R94-E102 PolarHBondContact NH1-OE1 3.32Å; R94-E102 IonicContact NH1-OE2 3.89Å; R94-E102 PolarHBondContact NH1-OE2 2.83Å; D98-E102 VanDerWaalsContact O-CB 3.24Å; D98-E102 WeakPolarHBondContact O-CB 3.44Å; D98-E102 PolarHBondContact O-N 2.78Å; I99-E102 PolarHBondContact O-N 2.83Å; F100-E102 VanDerWaalsContact C-N 3.32Å; F100-E102 PolarHBondContact O-N 3.42Å; E102-G105 PolarHBondContact O-N 3.49Å
103F70.8Confident65.4Low54 Ų5478.1 Ų78.124%0.23741%0.406CS..Hα-helixtrans-69.3-38.3-179.1-178.6-84000112.7K20 Y23 R24 Y53 I99 F100K20-F103 HydrophobicContact CG-CE2 4.33Å; Y23-F103 HydrophobicContact CE1-CD1 4.34Å; Y23-F103 HydrophobicContact CE1-CD2 4.48Å; Y23-F103 HydrophobicContact CE1-CG 4.19Å; R24-F103 HydrophobicContact CG-CD1 4.36Å; R24-F103 HydrophobicContact CG-CE1 3.3Å; R24-F103 HydrophobicContact CG-CZ 3.71Å; Y53-F103 HydrophobicContact CE1-CD2 4.05Å; Y53-F103 HydrophobicContact CE1-CE2 4.34Å; Y53-F103 HydrophobicContact CE2-CE2 4.46Å; Y53-F103 AromaticContact CZ-CD2 3.94Å; Y53-F103 AromaticContact CZ-CE2 3.78Å; Y53-F103 VanDerWaalsContact OH-CE2 3.25Å; Y53-F103 WeakPolarHBondContact OH-CE2 3.43Å; I99-F103 WeakPolarHBondContact O-CB 3.2Å; I99-F103 PolarHBondContact O-N 2.9Å; F100-F103 PolarHBondContact O-N 3.42Å; F100-F103 VanDerWaalsContact O-N 3.17Å
104F70.7Confident65.4Low6 Ų675.9 Ų75.93%0.02640%0.397CS..Hα-helixtrans-91.8-6.6178.6-69-85.6000112.8R24 F100 G106 L107 P109 F114R24-F104 HydrophobicContact CB-CZ 4.23Å; R24-F104 HydrophobicContact CG-CE1 4.1Å; R24-F104 HydrophobicContact CG-CZ 3.74Å; F100-F104 AromaticContact CD1-CD2 3.93Å; F100-F104 HydrophobicContact CD1-CD2 3.93Å; F100-F104 HydrophobicContact CD1-CE2 4.45Å; F100-F104 AromaticContact CD2-CD2 3.51Å; F100-F104 HydrophobicContact CD2-CD2 3.51Å; F100-F104 AromaticContact CD2-CE2 3.23Å; F100-F104 HydrophobicContact CD2-CE2 3.23Å; F100-F104 HydrophobicContact CD2-CZ 4.27Å; F100-F104 AromaticContact CE1-CD2 3.9Å; F100-F104 HydrophobicContact CE1-CD2 3.9Å; F100-F104 HydrophobicContact CE1-CE2 4.32Å; F100-F104 HydrophobicContact CE1-CG 4.49Å; F100-F104 AromaticContact CE2-CD2 3.48Å; F100-F104 HydrophobicContact CE2-CD2 3.48Å; F100-F104 VanDerWaalsContact CE2-CD2 3.48Å; F100-F104 AromaticContact CE2-CE2 3.04Å; F100-F104 HydrophobicContact CE2-CE2 3.04Å; F100-F104 AromaticContact CE2-CZ 3.7Å; F100-F104 HydrophobicContact CE2-CZ 3.7Å; F100-F104 AromaticContact CG-CD2 3.74Å; F100-F104 HydrophobicContact CG-CD2 3.74Å; F100-F104 AromaticContact CG-CE2 3.96Å; F100-F104 HydrophobicContact CG-CE2 3.96Å; F100-F104 AromaticContact CZ-CD2 3.67Å; F100-F104 HydrophobicContact CZ-CD2 3.67Å; F100-F104 AromaticContact CZ-CE2 3.65Å; F100-F104 HydrophobicContact CZ-CE2 3.65Å; F100-F104 HydrophobicContact CZ-CG 4.36Å; F100-F104 HydrophobicContact CZ-CZ 4.18Å; F100-F104 WeakPolarHBondContact O-CB 3.12Å; F100-F104 WeakPolarHBondContact O-CD2 3.33Å; F100-F104 PolarHBondContact O-N 3.14Å; F104-G106 PolarHBondContact O-N 2.96Å; F104-L107 VanDerWaalsContact O-CB 3.31Å; F104-L107 WeakPolarHBondContact O-CB 3.25Å; F104-L107 PolarHBondContact O-N 3.18Å; F104-P109 HydrophobicContact CB-CB 4.26Å; F104-P109 HydrophobicContact CD1-CB 3.26Å; F104-P109 HydrophobicContact CD1-CG 4.45Å; F104-P109 HydrophobicContact CD2-CB 4.32Å; F104-P109 HydrophobicContact CE1-CB 3.44Å; F104-P109 VanDerWaalsContact CE1-CB 3.44Å; F104-P109 HydrophobicContact CG-CB 3.72Å; F104-P109 HydrophobicContact CZ-CB 4.14Å; F104-F114 HydrophobicContact CD1-CD1 4.37Å; F104-F114 HydrophobicContact CD1-CD2 4.4Å; F104-F114 AromaticContact CD1-CE1 3.67Å; F104-F114 HydrophobicContact CD1-CE1 3.67Å; F104-F114 AromaticContact CD1-CE2 3.67Å; F104-F114 HydrophobicContact CD1-CE2 3.67Å; F104-F114 AromaticContact CD1-CZ 3.25Å; F104-F114 HydrophobicContact CD1-CZ 3.25Å; F104-F114 HydrophobicContact CE1-CD1 4.13Å; F104-F114 AromaticContact CE1-CE1 3.28Å; F104-F114 HydrophobicContact CE1-CE1 3.28Å; F104-F114 HydrophobicContact CE1-CE2 4.16Å; F104-F114 AromaticContact CE1-CZ 3.28Å; F104-F114 HydrophobicContact CE1-CZ 3.28Å; F104-F114 HydrophobicContact CG-CZ 4.48Å; F104-F114 HydrophobicContact CZ-CE1 4.44Å; F104-F114 HydrophobicContact CZ-CZ 4.46Å
105G62.3Low64.7Low64 Ų6475.1 Ų75.166%0.6639%0.394SS*.THydrogen-bonded Turntrans58.521.6167.100000115.7R101 E102 L107R101-G105 WeakPolarHBondContact O-CA 3.34Å; R101-G105 PolarHBondContact O-N 2.89Å; E102-G105 PolarHBondContact O-N 3.49Å; G105-L107 VanDerWaalsContact C-N 3.29Å
106G55.8Low63.3Low79 Ų7975.5 Ų75.581%0.81440%0.396SS*.THydrogen-bonded Turntrans78.15.7-172.700000115.2F104F104-G106 PolarHBondContact O-N 2.96Å
107L58.6Low62Low113 Ų11377.8 Ų77.859%0.59241%0.413SS*.SBendtrans-76.9134.9166.8-64.8167.4000109.1F104 G105 P109 F114F104-L107 VanDerWaalsContact O-CB 3.31Å; F104-L107 WeakPolarHBondContact O-CB 3.25Å; F104-L107 PolarHBondContact O-N 3.18Å; G105-L107 VanDerWaalsContact C-N 3.29Å; L107-P109 WeakPolarHBondContact O-CD 3.28Å; L107-F114 HydrophobicContact CB-CD2 4.29Å; L107-F114 HydrophobicContact CD1-CD2 4.39Å
108D59.1Low60.6Low118 Ų11879.2 Ų79.263%0.63143%0.428SS*.  trans-62.1106.7179.7-90.9-43000110.3F110 S111D108-F110 PolarHBondContact O-N 2.82Å; D108-F110 VanDerWaalsContact O-N 3.1Å; D108-S111 WeakPolarHBondContact O-CB 3.14Å; D108-S111 PolarHBondContact O-N 2.97Å; D108-S111 PolarHBondContact O-OG 3.48Å
109P61.1Low59Low16 Ų1681.6 Ų81.610%0.10444%0.435CS..THydrogen-bonded Turntrans-76.1-6-171.337.1-38.8000111.5L28 F100 F104 L107L28-P109 WeakPolarHBondContact CD1-O 3.27Å; L28-P109 HydrophobicContact CD2-CB 3.97Å; L28-P109 HydrophobicContact CD2-CG 4.18Å; L28-P109 WeakPolarHBondContact CD2-O 3.07Å; F100-P109 HydrophobicContact CE1-CB 4.39Å; F100-P109 HydrophobicContact CE1-CG 3.74Å; F100-P109 HydrophobicContact CZ-CB 3.9Å; F100-P109 HydrophobicContact CZ-CG 3.56Å; F104-P109 HydrophobicContact CB-CB 4.26Å; F104-P109 HydrophobicContact CD1-CB 3.26Å; F104-P109 HydrophobicContact CD1-CG 4.45Å; F104-P109 HydrophobicContact CD2-CB 4.32Å; F104-P109 HydrophobicContact CE1-CB 3.44Å; F104-P109 VanDerWaalsContact CE1-CB 3.44Å; F104-P109 HydrophobicContact CG-CB 3.72Å; F104-P109 HydrophobicContact CZ-CB 4.14Å; L107-P109 WeakPolarHBondContact O-CD 3.28Å
110F63.1Low57.7Low86 Ų8687.8 Ų87.838%0.37747%0.469SS..THydrogen-bonded Turntrans-96.8-4.7175.4-58.1-70.4000113.4L28 H31 K34 D108L28-F110 HydrophobicContact CD2-CD1 3.54Å; L28-F110 HydrophobicContact CD2-CE1 3.27Å; L28-F110 HydrophobicContact CD2-CE2 4.46Å; L28-F110 HydrophobicContact CD2-CG 4.26Å; L28-F110 HydrophobicContact CD2-CZ 3.8Å; L28-F110 HydrophobicContact CG-CE1 4.49Å; H31-F110 HydrophobicContact CB-CZ 4.45Å; K34-F110 HydrophobicContact CD-CD1 4.36Å; K34-F110 HydrophobicContact CD-CE1 3.91Å; K34-F110 HydrophobicContact CG-CE1 4.03Å; D108-F110 PolarHBondContact O-N 2.82Å; D108-F110 VanDerWaalsContact O-N 3.1Å
111S58.9Low56Low45 Ų4592.4 Ų92.432%0.31550%0.503SS..SBendtrans-84.2142.7179.565.80000111.7D108 E113 F114D108-S111 WeakPolarHBondContact O-CB 3.14Å; D108-S111 PolarHBondContact O-N 2.97Å; D108-S111 PolarHBondContact O-OG 3.48Å; S111-E113 PolarHBondContact O-N 3.09Å; S111-F114 PolarHBondContact O-N 3.27Å
112F49.6Very low54.7Low81 Ų8191.4 Ų91.436%0.35551%0.511SS..Hα-helixtrans-60.7-27.9177.2-170.3-96.6000111.9F114 W115 D116 F151F112-F114 PolarHBondContact O-N 2.87Å; F112-W115 PolarHBondContact O-N 3.41Å; F112-W115 VanDerWaalsContact O-N 3.09Å; F112-D116 HydrophobicContact CD1-CB 4.11Å; F112-D116 HydrophobicContact CE1-CB 3.83Å; F112-D116 WeakPolarHBondContact O-CB 3.38Å; F112-D116 PolarHBondContact O-N 3.31Å; F112-F151 HydrophobicContact CD2-CD1 4.31Å; F112-F151 HydrophobicContact CD2-CE1 4.08Å; F112-F151 AromaticContact CE1-CE1 3.82Å; F112-F151 HydrophobicContact CE1-CE1 3.82Å; F112-F151 HydrophobicContact CE1-CZ 4.47Å; F112-F151 AromaticContact CE2-CD1 3.39Å; F112-F151 HydrophobicContact CE2-CD1 3.39Å; F112-F151 AromaticContact CE2-CE1 3.29Å; F112-F151 HydrophobicContact CE2-CE1 3.29Å; F112-F151 HydrophobicContact CE2-CG 4.4Å; F112-F151 HydrophobicContact CE2-CZ 4.21Å; F112-F151 AromaticContact CZ-CD1 3.64Å; F112-F151 HydrophobicContact CZ-CD1 3.64Å; F112-F151 AromaticContact CZ-CE1 3.16Å; F112-F151 HydrophobicContact CZ-CE1 3.16Å; F112-F151 HydrophobicContact CZ-CZ 4.16Å
113E51.4Low53.2Low154 Ų15497 Ų9772%0.7253%0.527SS*.Hα-helixtrans-66.5-31.4-179.8-157.4160.5-173.500113.2S111 S117S111-E113 PolarHBondContact O-N 3.09Å; E113-S117 VanDerWaalsContact O-CB 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.42Å; E113-S117 PolarHBondContact O-N 3Å; E113-S117 VanDerWaalsContact O-N 3.14Å; E113-S117 PolarHBondContact O-OG 3.48Å
114F57.1Low52Low34 Ų3498.2 Ų98.215%0.14955%0.554CS.*Hα-helixtrans-72.1-27.9171.8179.6-93.7000112.9F104 L107 S111 F112F104-F114 HydrophobicContact CD1-CD1 4.37Å; F104-F114 HydrophobicContact CD1-CD2 4.4Å; F104-F114 AromaticContact CD1-CE1 3.67Å; F104-F114 HydrophobicContact CD1-CE1 3.67Å; F104-F114 AromaticContact CD1-CE2 3.67Å; F104-F114 HydrophobicContact CD1-CE2 3.67Å; F104-F114 AromaticContact CD1-CZ 3.25Å; F104-F114 HydrophobicContact CD1-CZ 3.25Å; F104-F114 HydrophobicContact CE1-CD1 4.13Å; F104-F114 AromaticContact CE1-CE1 3.28Å; F104-F114 HydrophobicContact CE1-CE1 3.28Å; F104-F114 HydrophobicContact CE1-CE2 4.16Å; F104-F114 AromaticContact CE1-CZ 3.28Å; F104-F114 HydrophobicContact CE1-CZ 3.28Å; F104-F114 HydrophobicContact CG-CZ 4.48Å; F104-F114 HydrophobicContact CZ-CE1 4.44Å; F104-F114 HydrophobicContact CZ-CZ 4.46Å; L107-F114 HydrophobicContact CB-CD2 4.29Å; L107-F114 HydrophobicContact CD1-CD2 4.39Å; S111-F114 PolarHBondContact O-N 3.27Å; F112-F114 PolarHBondContact O-N 2.87Å
115W51.7Low50.7Low125 Ų125101.4 Ų101.447%0.47359%0.589SS.*Hα-helixtrans-91.4-26.5-178.8-140.282.8000112.9F112F112-W115 PolarHBondContact O-N 3.41Å; F112-W115 VanDerWaalsContact O-N 3.09Å
116D45.1Very low49.6Very low112 Ų112110.4 Ų110.460%0.59960%0.603SS**Hα-helixtrans-88.1-14.8175-152.560.6000112.8F112 P118F112-D116 HydrophobicContact CD1-CB 4.11Å; F112-D116 HydrophobicContact CE1-CB 3.83Å; F112-D116 WeakPolarHBondContact O-CB 3.38Å; F112-D116 PolarHBondContact O-N 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.35Å
117S43.7Very low48.8Very low72 Ų72110.4 Ų110.450%0.50360%0.603SS.*SBendtrans-68.8119.4174-73.80000110.8E113 F119E113-S117 VanDerWaalsContact O-CB 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.42Å; E113-S117 PolarHBondContact O-N 3Å; E113-S117 VanDerWaalsContact O-N 3.14Å; E113-S117 PolarHBondContact O-OG 3.48Å; S117-F119 PolarHBondContact O-N 3.19Å
118P42.4Very low47.6Very low101 Ų101114.4 Ų114.466%0.65662%0.618SS**  trans-64138.2170.731.4-32.3000106.5D116 N120D116-P118 WeakPolarHBondContact O-CD 3.35Å; P118-N120 PolarHBondContact O-N 3.06Å
119F39.4Very low46.9Very low121 Ų121112 Ų11253%0.53162%0.621SS.*SBendtrans-64.732.7-179.1-169.1-104.3000114.2K20 S117K20-F119 HydrophobicContact CD-CZ 4.32Å; S117-F119 PolarHBondContact O-N 3.19Å
120N45.6Very low45.5Very low148 Ų148119.8 Ų119.879%0.79166%0.661SS**  trans-130.266.2-176.4-114.6-14.1000110.8P118P118-N120 PolarHBondContact O-N 3.06Å
121S39.9Very low44.2Very low112 Ų112123.7 Ų123.778%0.78367%0.673SS**  trans-137.853.4154.3-1510000111.6
122D47Very low43.1Very low157 Ų157124.1 Ų124.184%0.8469%0.685SS**SBendtrans-10676.3144.1-91.4-67.9000108.1
123R44.8Very low42.4Very low239 Ų239124.6 Ų124.690%0.90270%0.704SS**SBendtrans153.4108.8140.7-87.5173.6-177.6170.42.7111.1
124G44.3Very low41.5Very low79 Ų79127 Ų12781%0.81471%0.712SS**  trans34.8108141.900000119
125G43.2Very low40.6Very low74 Ų74130.8 Ų130.876%0.76374%0.743SS**  trans100129.213400000117.5
126R39.3Very low39.8Very low253 Ų253129.9 Ų129.996%0.95576%0.762SS**  trans65.3102.9153.1-61.2-169174.2179.1-0.4118.1
127G38.8Very low39.5Very low78 Ų78128.1 Ų128.180%0.80477%0.77SS**  84142117.300000119.4
128H35Very low39Very low197 Ų197131.2 Ų131.291%0.91278%0.775SS**  trans75.7121.9161.2-113.165.9000118.2
129G43.4Very low38.8Very low68 Ų68129.8 Ų129.870%0.70178%0.778SS**  trans-69.7159.2-178.900000113.8
130L32Very low38.7Very low180 Ų180132.6 Ų132.694%0.94279%0.793SS**  trans-151.4135.3156.5-102.1169.5000109.7
131R35.8Very low38.2Very low167 Ų167131.3 Ų131.363%0.6378%0.781SS**  trans-85119.4-174.6-175.7-175.1-179.2-156.31.8108.5R156R131-R156 PolarHBondContact NH2-O 2.97Å
132G34.7Very low38.1Very low54 Ų54131.7 Ų131.756%0.55778%0.781SS**  trans94.1122.2149.300000118
133A35.7Very low37.9Very low92 Ų92128.1 Ų128.176%0.7677%0.773SS**  trans178.870.5136.700000110.5
134F32.5Very low37.8Very low204 Ų204120.6 Ų120.690%0.89575%0.747SS**  trans-117.862.7155.8-83.6-82.4000108
135S38.9Very low37.6Very low114 Ų114123.4 Ų123.480%0.79774%0.74SS**  trans-143.784167.7-166.60000107.3
136A35.1Very low37.4Very low105 Ų105127.2 Ų127.287%0.86874%0.739SS**SBendtrans-175.1115.7156.300000109
137G37.2Very low37.6Very low75 Ų75119.3 Ų119.377%0.77373%0.727SS**  trans93.565.5155.300000117.5
138F33.6Very low37.7Very low138 Ų138119.9 Ų119.961%0.60571%0.708SS**  trans-139.376.6154-123.8-90.3000108F141F138-F141 HydrophobicContact CD1-CD2 4.13Å; F138-F141 AromaticContact CE1-CD2 3.74Å; F138-F141 HydrophobicContact CE1-CD2 3.74Å; F138-F141 HydrophobicContact CE1-CE2 4.08Å
139G38.3Very low37.9Very low70 Ų70113.2 Ų113.272%0.72268%0.684SS**  trans-71134.216200000108.1
140E37.2Very low37.5Very low180 Ų180115.5 Ų115.584%0.84169%0.689SS**  trans92.450.1157.1-131.7174178.700119.3
141F36Very low37.8Very low121 Ų121113.2 Ų113.253%0.53167%0.671SS.*  trans-141.297.3157.6-83.7-82.2000112.4F138F138-F141 HydrophobicContact CD1-CD2 4.13Å; F138-F141 AromaticContact CE1-CD2 3.74Å; F138-F141 HydrophobicContact CE1-CD2 3.74Å; F138-F141 HydrophobicContact CE1-CE2 4.08Å
142P38.2Very low37.7Very low120 Ų120110 Ų11078%0.77967%0.667SS**THydrogen-bonded Turntrans-85.1-8.7-169.930.1-32.9000116.4
143A41.3Very low37.9Very low82 Ų82114 Ų11468%0.67868%0.68SS**THydrogen-bonded Turntrans-113.6-15.8-16900000116.5
144F44Very low37.8Very low81 Ų81117.6 Ų117.636%0.35569%0.686SS.*THydrogen-bonded Turntrans-89.6-26.7176.4-177.4-108.9000112.1R29R29-F144 HydrophobicContact CG-CD2 4.23Å; R29-F144 HydrophobicContact CG-CE2 3.93Å
145M39.9Very low37.9Very low138 Ų138111.1 Ų111.168%0.6868%0.677SS**SBendtrans-77.4-28.9-175.2-144171.3-158.600112.5A147 F148 S149M145-A147 PolarHBondContact O-N 3.44Å; M145-F148 CarbonylContact O-C 3.56Å; M145-F148 PolarHBondContact O-N 3.37Å; M145-F148 VanDerWaalsContact O-N 3.07Å; M145-S149 WeakPolarHBondContact O-CA 3.46Å; M145-S149 WeakPolarHBondContact O-CB 3.46Å; M145-S149 PolarHBondContact O-N 3.31Å; M145-S149 PolarHBondContact O-OG 3.01Å
146E38.9Very low37.9Very low155 Ų155114.1 Ų114.172%0.72467%0.67SS**THydrogen-bonded Turntrans-59-32.1178.2-80.2-109.3132.600113.6S149E146-S149 PolarHBondContact O-OG 2.94Å
147A43.9Very low37.9Very low87 Ų87114.1 Ų114.172%0.71966%0.664SS**THydrogen-bonded Turntrans-83.2-16179.100000113.9M145M145-A147 PolarHBondContact O-N 3.44Å
148F39.5Very low37.6Very low89 Ų89113.9 Ų113.939%0.3966%0.662SS.*THydrogen-bonded Turntrans-120-9.5-176.6-129-94.6000113.4M145 S150 F151M145-F148 CarbonylContact O-C 3.56Å; M145-F148 PolarHBondContact O-N 3.37Å; M145-F148 VanDerWaalsContact O-N 3.07Å; F148-S150 VanDerWaalsContact C-N 3.28Å; F148-S150 PolarHBondContact O-N 2.94Å; F148-F151 PolarHBondContact O-N 2.93Å
149S40.2Very low37.5Very low58 Ų58111.1 Ų111.141%0.40667%0.672SS.*THydrogen-bonded Turntrans-73.5-17.2174.553.60000113M145 E146 F151M145-S149 WeakPolarHBondContact O-CA 3.46Å; M145-S149 WeakPolarHBondContact O-CB 3.46Å; M145-S149 PolarHBondContact O-N 3.31Å; M145-S149 PolarHBondContact O-OG 3.01Å; E146-S149 PolarHBondContact O-OG 2.94Å; S149-F151 PolarHBondContact O-N 3.3Å
150S34.8Very low37.3Very low116 Ų116113.2 Ų113.281%0.81168%0.676SS**THydrogen-bonded Turntrans-69.5-9.8171.9-61.10000113.6F148F148-S150 VanDerWaalsContact C-N 3.28Å; F148-S150 PolarHBondContact O-N 2.94Å
151F38.3Very low37.4Very low132 Ų132112.8 Ų112.858%0.57967%0.673SS**THydrogen-bonded Turntrans-104.1-24177.4-162.5-94.2000114F112 F148 S149F112-F151 HydrophobicContact CD2-CD1 4.31Å; F112-F151 HydrophobicContact CD2-CE1 4.08Å; F112-F151 AromaticContact CE1-CE1 3.82Å; F112-F151 HydrophobicContact CE1-CE1 3.82Å; F112-F151 HydrophobicContact CE1-CZ 4.47Å; F112-F151 AromaticContact CE2-CD1 3.39Å; F112-F151 HydrophobicContact CE2-CD1 3.39Å; F112-F151 AromaticContact CE2-CE1 3.29Å; F112-F151 HydrophobicContact CE2-CE1 3.29Å; F112-F151 HydrophobicContact CE2-CG 4.4Å; F112-F151 HydrophobicContact CE2-CZ 4.21Å; F112-F151 AromaticContact CZ-CD1 3.64Å; F112-F151 HydrophobicContact CZ-CD1 3.64Å; F112-F151 AromaticContact CZ-CE1 3.16Å; F112-F151 HydrophobicContact CZ-CE1 3.16Å; F112-F151 HydrophobicContact CZ-CZ 4.16Å; F148-F151 PolarHBondContact O-N 2.93Å; S149-F151 PolarHBondContact O-N 3.3Å
152N34.2Very low37.1Very low100 Ų100113.4 Ų113.454%0.53569%0.688SS.*THydrogen-bonded Turntrans-104.529.7-165.5-100.7-47.5000116
153T38.2Very low37.4Very low137 Ų137113.4 Ų113.484%0.8469%0.685SS**THydrogen-bonded Turntrans-122.320.4171.6-101.10000114.5
154L32.8Very low37.2Very low167 Ų167118.3 Ų118.387%0.87469%0.692SS**SBendtrans-96.7103.4168-161.767.9000112.2
155G36.4Very low36.6Very low68 Ų68119.1 Ų119.170%0.70171%0.708SS**  91.176.5129.500000117.5
156R37.9Very low36.9Very low177 Ų177117.7 Ų117.767%0.66871%0.711SS**  trans-92.685.9158.5-177.5133.875.2169.20.6111.6R131R131-R156 PolarHBondContact NH2-O 2.97Å
157S34.5Very low36.6Very low105 Ų105117.3 Ų117.373%0.73472%0.719SS**  trans179.2111.5155.4-172.90000107.6
158G31.1Very low36.5Very low70 Ų70118.8 Ų118.872%0.72273%0.725SS**  94.7105.475.700000110.5
159G31.5Very low36.3Very low80 Ų80122.7 Ų122.783%0.82574%0.742SS**  trans114.9120157.200000118.3
160S33.5Very low36.3Very low115 Ų115123.6 Ų123.680%0.80476%0.76SS**  trans65.6125.5136.6-154.10000122.4
161H40.3Very low36Very low170 Ų170120.3 Ų120.379%0.78774%0.744SS**  trans-16.9147.6158.4-59-96.9000120.5
162T29.3Very low36.1Very low135 Ų135120.2 Ų120.283%0.82876%0.76SS**  trans99.8124.6154.470.30000119.6
163T44.3Very low36Very low119 Ų119118.8 Ų118.873%0.7377%0.769SS**  trans5.2137.4150.5-34.40000120.9
164F37.8Very low36.2Very low185 Ų185118.7 Ų118.781%0.81177%0.774SS**  trans74.113316082-96000121.7
165S32.1Very low36.3Very low99 Ų99113.8 Ų113.869%0.69276%0.764SS**  trans69.1135.7156.6-59.40000122.5
166S46Very low36.9Very low108 Ų108116.9 Ų116.976%0.75578%0.775SS**  trans52.3114.4147.659.70000118.8
167T31.8Very low37.3Very low146 Ų146113.1 Ų113.190%0.89678%0.776SS**  trans-126.8107.9153.739.40000111.1
168S43Very low38.1Very low118 Ų118110 Ų11083%0.82576%0.761SS**  trans-51.7136.5151.8-40.80000109.7
169F34.2Very low39.2Very low172 Ų172115.2 Ų115.275%0.75476%0.764SS**  trans-106.297.7157.8163.7-107000107.9
170G39.8Very low40.7Very low76 Ų76117.8 Ų117.878%0.78475%0.752SS**  trans-87.4126.8151.700000108
171G29.7Very low41.7Very low47 Ų47115.8 Ų115.849%0.48574%0.738SS.*  trans-166.399.3175.300000109.7G173G171-G173 PolarHBondContact O-N 3.42Å
172S40.6Very low43.3Very low130 Ų130112.5 Ų112.591%0.90973%0.73SS**  trans-51.1122.6-177510000114.3
173G30.4Very low44.7Very low70 Ų70111.9 Ų111.972%0.72272%0.719SS**  trans-157.2108.3167.200000109.5G171 G175G171-G173 PolarHBondContact O-N 3.42Å; G173-G175 PolarHBondContact O-N 3.41Å
174S43.8Very low46.1Very low135 Ų135109.7 Ų109.794%0.94471%0.708SS**  trans-53.4117.7177.6139.80000111.5
175G34.6Very low47.6Very low65 Ų65103.7 Ų103.767%0.6769%0.69SS**  trans16495171.500000112.4G173 S177G173-G175 PolarHBondContact O-N 3.41Å; G175-S177 PolarHBondContact O-N 2.87Å
176S48Very low49.8Very low132 Ų132102.8 Ų102.892%0.92368%0.68SS**  trans-56.798.1173169.30000111.9
177S47.9Very low51Low99 Ų99103.5 Ų103.569%0.69267%0.671SS**  trans-155.3131.2151.592.40000109.3G175 F179G175-S177 PolarHBondContact O-N 2.87Å; S177-F179 PolarHBondContact O-N 3.3Å
178G51.6Low53.3Low40 Ų40102.7 Ų102.741%0.41266%0.659SS.*  trans-60.6129.1-167.500000113.6K180 N202G178-K180 PolarHBondContact O-N 2.98Å; G178-N202 WeakPolarHBondContact CA-OD1 3.37Å
179F52.9Low54.9Low179 Ų179100.5 Ų100.579%0.78564%0.637SS**  trans-65.5120.5173.1-63.2-84.2000109.5S177S177-F179 PolarHBondContact O-N 3.3Å
180K63.6Low56.7Low133 Ų13399.8 Ų99.858%0.57864%0.641SS**EExtended strand (participates in β ladder)trans-106.9112169.4-56.6-170.1-175.1-148.80108.1G178 V200 E201G178-K180 PolarHBondContact O-N 2.98Å; K180-V200 CarbonylContact C-O 3.48Å; K180-V200 VanDerWaalsContact CA-O 3.31Å; K180-V200 WeakPolarHBondContact CA-O 3.47Å; K180-E201 HydrophobicContact CD-CG 4.15Å; K180-E201 WeakPolarHBondContact CD-OE2 3.29Å; K180-E201 WeakPolarHBondContact CE-OE1 3.38Å; K180-E201 WeakPolarHBondContact CE-OE2 3.29Å; K180-E201 HydrophobicContact CG-CB 4.14Å; K180-E201 HydrophobicContact CG-CG 3.89Å; K180-E201 IonicContact NZ-OE1 3.54Å; K180-E201 PolarHBondContact NZ-OE1 2.96Å; K180-E201 IonicContact NZ-OE2 2.71Å; K180-E201 PolarHBondContact NZ-OE2 3.39Å
181S54Low58.4Low74 Ų7499.2 Ų99.252%0.51764%0.635SS.*EExtended strand (participates in β ladder)trans-104.5126.2174.1-60.40000109.1I199 V200S181-I199 CarbonylContact O-C 3.5Å; S181-I199 WeakPolarHBondContact O-CA 3.25Å; S181-V200 PolarHBondContact N-O 3.08Å; S181-V200 PolarHBondContact O-N 2.81Å
182V73.4Confident60.2Low101 Ų101100.9 Ų100.961%0.61263%0.63SS**EExtended strand (participates in β ladder)trans-119.9117.7177.5-178.60000108.5I199V182-I199 HydrophobicContact CB-CG1 4.25Å; V182-I199 HydrophobicContact CG1-CG1 3.73Å; V182-I199 HydrophobicContact CG2-CB 4.42Å; V182-I199 HydrophobicContact CG2-CG1 3.95Å; V182-I199 HydrophobicContact CG2-CG2 4.06Å
183M58.4Low61.9Low121 Ų12199.8 Ų99.860%0.59661%0.609SS**EExtended strand (participates in β ladder)trans-109.3123.2173.5174.3179.9-172.800107.7K197 R198M183-K197 CarbonylContact O-C 3.53Å; M183-K197 VanDerWaalsContact O-CA 3.3Å; M183-K197 WeakPolarHBondContact O-CA 3.23Å; M183-R198 HydrophobicContact CB-CB 4.21Å; M183-R198 PolarHBondContact N-O 2.68Å; M183-R198 PolarHBondContact O-N 3.29Å
184S75.3Confident64.2Low73 Ų7397.2 Ų97.251%0.5158%0.579SS.*EExtended strand (participates in β ladder)trans-122.9125.7176.3-172.20000108.8T196S184-T196 CarbonylContact C-O 3.53Å; S184-T196 WeakPolarHBondContact CA-O 3.03Å
185S68.3Low65.8Low60 Ų6091.4 Ų91.442%0.4254%0.538SS..EExtended strand (participates in β ladder)trans-126.2124.4178-178.10000109T195 T196S185-T195 CarbonylContact O-C 3.42Å; S185-T195 WeakPolarHBondContact O-CA 3.41Å; S185-T196 PolarHBondContact N-O 2.87Å; S185-T196 PolarHBondContact O-N 2.96Å
186T78.3Confident68Low80 Ų8090.8 Ų90.849%0.49152%0.522SS..EExtended strand (participates in β ladder)trans-112.8123.4178.8-53.60000108.5K193 V194T186-K193 HydrophobicContact CG2-CD 4.28Å; T186-K193 HydrophobicContact CG2-CG 3.77Å; T186-V194 CarbonylContact C-O 3.54Å; T186-V194 WeakPolarHBondContact CA-O 3.3Å
187E71.9Confident69.7Low122 Ų12287.2 Ų87.257%0.5749%0.489SS*.EExtended strand (participates in β ladder)trans-132.7145.3-178.5-168.9171.1-174.100110.4I189 V194E187-I189 HydrophobicContact CB-CG1 4.48Å; E187-I189 HydrophobicContact CG-CG1 4.2Å; E187-V194 PolarHBondContact N-O 2.9Å; E187-V194 WeakPolarHBondContact O-CA 3.33Å; E187-V194 PolarHBondContact O-N 3.24Å; E187-V194 VanDerWaalsContact O-O 3.07Å
188M79Confident71.2Confident129 Ų12987.6 Ų87.664%0.63548%0.476SS*.EExtended strand (participates in β ladder)trans-92.7112.3175.7-68.3-67.6-66.700108.9H192 K193M188-H192 WeakPolarHBondContact CA-O 3.38Å; M188-K193 HydrophobicContact SD-CB 3.84Å; M188-K193 HydrophobicContact SD-CG 4.3Å
189I77.8Confident72.6Confident73 Ų7386.1 Ų86.137%0.37446%0.458SS..EExtended strand (participates in β ladder)trans-119120.6-178.2-54.2179.3000107.9E187 G191 H192 V194E187-I189 HydrophobicContact CB-CG1 4.48Å; E187-I189 HydrophobicContact CG-CG1 4.2Å; I189-G191 PolarHBondContact O-N 2.85Å; I189-G191 VanDerWaalsContact O-N 3.1Å; I189-H192 PolarHBondContact N-O 3.32Å; I189-H192 PolarHBondContact O-N 2.91Å; I189-V194 HydrophobicContact CB-CG2 4.03Å; I189-V194 HydrophobicContact CD1-CB 4.06Å; I189-V194 HydrophobicContact CD1-CG1 4.33Å; I189-V194 HydrophobicContact CD1-CG2 4.03Å; I189-V194 HydrophobicContact CG1-CB 4.35Å; I189-V194 HydrophobicContact CG1-CG2 4.14Å
190N71.9Confident73.9Confident157 Ų15779.9 Ų79.984%0.8443%0.434SS*.THydrogen-bonded Turntrans54.528.7178.8-58.9-35.7000115.2
191G75.6Confident74.3Confident63 Ų6376.4 Ų76.465%0.64942%0.42SS*.THydrogen-bonded Turntrans88.7-2.9-177.800000114.9I189I189-G191 PolarHBondContact O-N 2.85Å; I189-G191 VanDerWaalsContact O-N 3.1Å
192H67.3Low75.3Confident82 Ų8278 Ų7838%0.3842%0.423SS..EExtended strand (participates in β ladder)trans-104141.5177.5-62.7-80000111M188 I189 V194 E211 D212M188-H192 WeakPolarHBondContact CA-O 3.38Å; I189-H192 PolarHBondContact N-O 3.32Å; I189-H192 PolarHBondContact O-N 2.91Å; H192-V194 PolarHBondContact O-N 3.47Å; H192-E211 HydrophobicContact CB-CG 3.89Å; H192-E211 IonicContact CG-OE1 3.38Å; H192-D212 IonicContact CE1-OD2 3.99Å; H192-D212 IonicContact CG-OD2 2.65Å; H192-D212 IonicContact ND1-OD2 3.06Å; H192-D212 PolarHBondContact ND1-OD2 2.77Å
193K75.9Confident75Confident107 Ų10776.5 Ų76.547%0.46543%0.428SS..EExtended strand (participates in β ladder)trans-83.4104178.4-179.2-175.3177.4-175.90109.4T186 M188 E211 D212T186-K193 HydrophobicContact CG2-CD 4.28Å; T186-K193 HydrophobicContact CG2-CG 3.77Å; M188-K193 HydrophobicContact SD-CB 3.84Å; M188-K193 HydrophobicContact SD-CG 4.3Å; K193-E211 CarbonylContact O-C 3.49Å; K193-E211 WeakPolarHBondContact O-CA 3.39Å; K193-D212 PolarHBondContact N-OD1 3.05Å; K193-D212 PolarHBondContact O-N 2.92Å
194V79.3Confident75.6Confident16 Ų1676.6 Ų76.610%0.09743%0.427CS..EExtended strand (participates in β ladder)trans-98.2119.3177.8-176.40000109.8T186 E187 I189 H192 V209 E210 E211T186-V194 CarbonylContact C-O 3.54Å; T186-V194 WeakPolarHBondContact CA-O 3.3Å; E187-V194 PolarHBondContact N-O 2.9Å; E187-V194 WeakPolarHBondContact O-CA 3.33Å; E187-V194 PolarHBondContact O-N 3.24Å; E187-V194 VanDerWaalsContact O-O 3.07Å; I189-V194 HydrophobicContact CB-CG2 4.03Å; I189-V194 HydrophobicContact CD1-CB 4.06Å; I189-V194 HydrophobicContact CD1-CG1 4.33Å; I189-V194 HydrophobicContact CD1-CG2 4.03Å; I189-V194 HydrophobicContact CG1-CB 4.35Å; I189-V194 HydrophobicContact CG1-CG2 4.14Å; H192-V194 PolarHBondContact O-N 3.47Å; V194-V209 HydrophobicContact CG1-CG1 3.73Å; V194-E210 CarbonylContact C-O 3.58Å; V194-E210 VanDerWaalsContact CA-O 3.27Å; V194-E210 WeakPolarHBondContact CA-O 3.38Å; V194-E211 HydrophobicContact CG2-CB 4.46Å; V194-E211 HydrophobicContact CG2-CG 4.03Å
195T76.6Confident75.7Confident13 Ų1376 Ų768%0.0842%0.417CS..EExtended strand (participates in β ladder)trans-111.9113176.9-51.30000109.9S185 K197 V209 E210S185-T195 CarbonylContact O-C 3.42Å; S185-T195 WeakPolarHBondContact O-CA 3.41Å; T195-K197 HydrophobicContact CG2-CG 4.27Å; T195-V209 WeakPolarHBondContact O-CA 3.43Å; T195-E210 PolarHBondContact N-O 3.04Å; T195-E210 PolarHBondContact O-N 2.85Å
196T81.3Confident76.3Confident53 Ų5378.2 Ų78.233%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-100.2114.3175.6-57.30000110.4S184 S185 V207 E208 V209S184-T196 CarbonylContact C-O 3.53Å; S184-T196 WeakPolarHBondContact CA-O 3.03Å; S185-T196 PolarHBondContact N-O 2.87Å; S185-T196 PolarHBondContact O-N 2.96Å; T196-V207 HydrophobicContact CG2-CG1 3.9Å; T196-E208 CarbonylContact C-O 3.54Å; T196-E208 WeakPolarHBondContact CA-O 3.48Å; T196-V209 HydrophobicContact CG2-CG2 4.23Å
197K82.6Confident76.5Confident57 Ų5775.8 Ų75.825%0.24840%0.401CS..EExtended strand (participates in β ladder)trans-106.4110175.9-62.2172-173.2162.70110M183 T195 I199 V207 E208 E210M183-K197 CarbonylContact O-C 3.53Å; M183-K197 VanDerWaalsContact O-CA 3.3Å; M183-K197 WeakPolarHBondContact O-CA 3.23Å; T195-K197 HydrophobicContact CG2-CG 4.27Å; K197-I199 HydrophobicContact CB-CD1 4.08Å; K197-V207 CarbonylContact O-C 3.46Å; K197-V207 WeakPolarHBondContact O-CA 3.34Å; K197-E208 HydrophobicContact CB-CB 4.27Å; K197-E208 PolarHBondContact N-O 3.11Å; K197-E208 PolarHBondContact O-N 3.11Å; K197-E210 WeakPolarHBondContact CE-OE2 3.24Å; K197-E210 IonicContact NZ-OE1 2.93Å; K197-E210 PolarHBondContact NZ-OE1 3.06Å; K197-E210 IonicContact NZ-OE2 3.92Å; K197-E210 PolarHBondContact NZ-OE2 2.65Å
198R80.3Confident77.1Confident107 Ų10771.6 Ų71.640%0.40438%0.381SS..EExtended strand (participates in β ladder)trans-98.4114.1171.3179.4178.1-166.6-166.63.3109.8M183 E205 R206 V207M183-R198 HydrophobicContact CB-CB 4.21Å; M183-R198 PolarHBondContact N-O 2.68Å; M183-R198 PolarHBondContact O-N 3.29Å; R198-E205 HydrophobicContact CG-CG 4.38Å; R198-E205 IonicContact CZ-OE1 2.68Å; R198-E205 IonicContact CZ-OE2 3.67Å; R198-E205 VanDerWaalsContact NE-CD 3.28Å; R198-E205 IonicContact NE-OE1 2.92Å; R198-E205 PolarHBondContact NE-OE1 2.8Å; R198-E205 IonicContact NE-OE2 2.85Å; R198-E205 IonicContact NH2-OE1 3.76Å; R198-E205 PolarHBondContact NH2-OE1 3.46Å; R198-E205 IonicContact NH2-OE2 3.72Å; R198-E205 PolarHBondContact NH2-OE2 3.4Å; R198-R206 CarbonylContact C-O 3.5Å; R198-R206 WeakPolarHBondContact CA-O 3.48Å; R198-V207 HydrophobicContact CB-CG2 4.3Å; R198-V207 HydrophobicContact CG-CG2 4.06Å
199I81.3Confident77.2Confident8 Ų867 Ų674%0.04136%0.36CS..EExtended strand (participates in β ladder)trans-116.7121.2-178-60.5131000108.4S181 V182 K197 R206S181-I199 CarbonylContact O-C 3.5Å; S181-I199 WeakPolarHBondContact O-CA 3.25Å; V182-I199 HydrophobicContact CB-CG1 4.25Å; V182-I199 HydrophobicContact CG1-CG1 3.73Å; V182-I199 HydrophobicContact CG2-CB 4.42Å; V182-I199 HydrophobicContact CG2-CG1 3.95Å; V182-I199 HydrophobicContact CG2-CG2 4.06Å; K197-I199 HydrophobicContact CB-CD1 4.08Å; I199-R206 HydrophobicContact CB-CG 3.57Å; I199-R206 HydrophobicContact CD1-CG 4.19Å; I199-R206 HydrophobicContact CG1-CG 4.47Å; I199-R206 HydrophobicContact CG2-CG 4.09Å; I199-R206 PolarHBondContact N-O 3.25Å; I199-R206 WeakPolarHBondContact O-CG 3.41Å; I199-R206 PolarHBondContact O-N 3.18Å
200V79Confident77.4Confident48 Ų4865.4 Ų65.429%0.29135%0.351SS..EExtended strand (participates in β ladder)trans-110.9109.7176.8-177.50000107.8K180 S181 Q204 E205K180-V200 CarbonylContact C-O 3.48Å; K180-V200 VanDerWaalsContact CA-O 3.31Å; K180-V200 WeakPolarHBondContact CA-O 3.47Å; S181-V200 PolarHBondContact N-O 3.08Å; S181-V200 PolarHBondContact O-N 2.81Å; V200-Q204 CarbonylContact C-O 3.52Å; V200-Q204 WeakPolarHBondContact CA-O 3.36Å; V200-E205 HydrophobicContact CG2-CB 4.44Å; V200-E205 HydrophobicContact CG2-CG 4.32Å
201E73.9Confident77.8Confident60 Ų6060.1 Ų60.128%0.2832%0.321SS..EExtended strand (participates in β ladder)trans-125.2126.1179.9168.6166.5-177.600109.4K180 G203 Q204K180-E201 HydrophobicContact CD-CG 4.15Å; K180-E201 WeakPolarHBondContact CD-OE2 3.29Å; K180-E201 WeakPolarHBondContact CE-OE1 3.38Å; K180-E201 WeakPolarHBondContact CE-OE2 3.29Å; K180-E201 HydrophobicContact CG-CB 4.14Å; K180-E201 HydrophobicContact CG-CG 3.89Å; K180-E201 IonicContact NZ-OE1 3.54Å; K180-E201 PolarHBondContact NZ-OE1 2.96Å; K180-E201 IonicContact NZ-OE2 2.71Å; K180-E201 PolarHBondContact NZ-OE2 3.39Å; E201-G203 PolarHBondContact O-N 3.27Å; E201-G203 VanDerWaalsContact O-N 3.08Å; E201-Q204 PolarHBondContact N-O 3.12Å; E201-Q204 WeakPolarHBondContact O-CB 3.48Å; E201-Q204 PolarHBondContact O-N 3.44Å
202N73.5Confident77.6Confident107 Ų10761.4 Ų61.457%0.57231%0.313SS*.THydrogen-bonded Turntrans54.930.4175.4-56-39.1000114.3G178 Q204G178-N202 WeakPolarHBondContact CA-OD1 3.37Å; N202-Q204 VanDerWaalsContact C-N 3.3Å; N202-Q204 PolarHBondContact O-N 3.15Å
203G68.6Low77.8Confident70 Ų7060.6 Ų60.672%0.72233%0.328SS*.THydrogen-bonded Turntrans81.42.3-176.600000115E201E201-G203 PolarHBondContact O-N 3.27Å; E201-G203 VanDerWaalsContact O-N 3.08Å
204Q69.4Low77.6Confident123 Ų12361.6 Ų61.658%0.57533%0.334SS*.EExtended strand (participates in β ladder)trans-97.7127.7170.9-61.4-176.20.100109.9V200 E201 N202 N221V200-Q204 CarbonylContact C-O 3.52Å; V200-Q204 WeakPolarHBondContact CA-O 3.36Å; E201-Q204 PolarHBondContact N-O 3.12Å; E201-Q204 WeakPolarHBondContact O-CB 3.48Å; E201-Q204 PolarHBondContact O-N 3.44Å; N202-Q204 VanDerWaalsContact C-N 3.3Å; N202-Q204 PolarHBondContact O-N 3.15Å; Q204-N221 VanDerWaalsContact CA-OD1 3.31Å; Q204-N221 WeakPolarHBondContact CA-OD1 3.31Å
205E78.3Confident77.3Confident62 Ų6264 Ų6429%0.2935%0.346SS..EExtended strand (participates in β ladder)trans-95.4124.3175.9179.6177.317000109.4R198 V200 V207 V220 N221R198-E205 HydrophobicContact CG-CG 4.38Å; R198-E205 IonicContact CZ-OE1 2.68Å; R198-E205 IonicContact CZ-OE2 3.67Å; R198-E205 VanDerWaalsContact NE-CD 3.28Å; R198-E205 IonicContact NE-OE1 2.92Å; R198-E205 PolarHBondContact NE-OE1 2.8Å; R198-E205 IonicContact NE-OE2 2.85Å; R198-E205 IonicContact NH2-OE1 3.76Å; R198-E205 PolarHBondContact NH2-OE1 3.46Å; R198-E205 IonicContact NH2-OE2 3.72Å; R198-E205 PolarHBondContact NH2-OE2 3.4Å; V200-E205 HydrophobicContact CG2-CB 4.44Å; V200-E205 HydrophobicContact CG2-CG 4.32Å; E205-V207 HydrophobicContact CG-CG2 4.25Å; E205-V220 CarbonylContact O-C 3.58Å; E205-V220 VanDerWaalsContact O-CA 3.32Å; E205-V220 WeakPolarHBondContact O-CA 3.49Å; E205-N221 PolarHBondContact N-OD1 3.1Å; E205-N221 PolarHBondContact O-N 3.42Å
206R80.3Confident77.4Confident106 Ų10666 Ų6640%0.435%0.353SS..EExtended strand (participates in β ladder)trans-115.8134.2164.972.4177.5-174.4-167.44.6109.6R198 I199 E208 T219 V220R198-R206 CarbonylContact C-O 3.5Å; R198-R206 WeakPolarHBondContact CA-O 3.48Å; I199-R206 HydrophobicContact CB-CG 3.57Å; I199-R206 HydrophobicContact CD1-CG 4.19Å; I199-R206 HydrophobicContact CG1-CG 4.47Å; I199-R206 HydrophobicContact CG2-CG 4.09Å; I199-R206 PolarHBondContact N-O 3.25Å; I199-R206 WeakPolarHBondContact O-CG 3.41Å; I199-R206 PolarHBondContact O-N 3.18Å; R206-E208 WeakPolarHBondContact CD-OE1 3.48Å; R206-E208 IonicContact CZ-OE1 3.72Å; R206-E208 IonicContact NE-OE1 2.83Å; R206-E208 PolarHBondContact NE-OE1 3.13Å; R206-T219 CarbonylContact C-O 3.58Å; R206-T219 VanDerWaalsContact CA-O 3.27Å; R206-T219 WeakPolarHBondContact CA-O 3.39Å; R206-V220 HydrophobicContact CB-CG2 4.11Å
207V82.8Confident77.1Confident29 Ų2964.6 Ų64.618%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-118.4120.7173.9-177.10000107.1T196 K197 R198 E205 V209 V218 T219T196-V207 HydrophobicContact CG2-CG1 3.9Å; K197-V207 CarbonylContact O-C 3.46Å; K197-V207 WeakPolarHBondContact O-CA 3.34Å; R198-V207 HydrophobicContact CB-CG2 4.3Å; R198-V207 HydrophobicContact CG-CG2 4.06Å; E205-V207 HydrophobicContact CG-CG2 4.25Å; V207-V209 HydrophobicContact CG1-CG2 4.46Å; V207-V218 CarbonylContact O-C 3.53Å; V207-V218 WeakPolarHBondContact O-CA 3.23Å; V207-T219 PolarHBondContact N-O 2.83Å; V207-T219 PolarHBondContact O-N 2.85Å
208E84.4Confident77Confident33 Ų3363 Ų6315%0.15434%0.341CS..EExtended strand (participates in β ladder)trans-110.8126176.9-63.3166-165.100107.8T196 K197 R206 L215 S217 V218T196-E208 CarbonylContact C-O 3.54Å; T196-E208 WeakPolarHBondContact CA-O 3.48Å; K197-E208 HydrophobicContact CB-CB 4.27Å; K197-E208 PolarHBondContact N-O 3.11Å; K197-E208 PolarHBondContact O-N 3.11Å; R206-E208 WeakPolarHBondContact CD-OE1 3.48Å; R206-E208 IonicContact CZ-OE1 3.72Å; R206-E208 IonicContact NE-OE1 2.83Å; R206-E208 PolarHBondContact NE-OE1 3.13Å; E208-L215 HydrophobicContact CB-CD1 4.28Å; E208-L215 HydrophobicContact CG-CD1 4.4Å; E208-S217 CarbonylContact C-O 3.45Å; E208-S217 WeakPolarHBondContact CA-O 3.42Å; E208-V218 HydrophobicContact CG-CG1 4.22Å; E208-V218 HydrophobicContact CG-CG2 4.32Å
209V81.1Confident76.9Confident34 Ų3459.7 Ų59.721%0.20633%0.333CS..EExtended strand (participates in β ladder)trans-112.2119.4174.1-175.50000108.1V194 T195 T196 V207 K216 S217V194-V209 HydrophobicContact CG1-CG1 3.73Å; T195-V209 WeakPolarHBondContact O-CA 3.43Å; T196-V209 HydrophobicContact CG2-CG2 4.23Å; V207-V209 HydrophobicContact CG1-CG2 4.46Å; V209-K216 PolarHBondContact O-N 2.73Å; V209-S217 WeakPolarHBondContact CB-OG 3.24Å; V209-S217 WeakPolarHBondContact CG2-OG 3.33Å; V209-S217 PolarHBondContact N-O 3.48Å; V209-S217 PolarHBondContact O-N 2.8Å
210E81.4Confident76.9Confident39 Ų3961.2 Ų61.218%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-107.1138175.2-62.4171.1178.100109.1V194 T195 K197 Q214 L215V194-E210 CarbonylContact C-O 3.58Å; V194-E210 VanDerWaalsContact CA-O 3.27Å; V194-E210 WeakPolarHBondContact CA-O 3.38Å; T195-E210 PolarHBondContact N-O 3.04Å; T195-E210 PolarHBondContact O-N 2.85Å; K197-E210 WeakPolarHBondContact CE-OE2 3.24Å; K197-E210 IonicContact NZ-OE1 2.93Å; K197-E210 PolarHBondContact NZ-OE1 3.06Å; K197-E210 IonicContact NZ-OE2 3.92Å; K197-E210 PolarHBondContact NZ-OE2 2.65Å; E210-Q214 CarbonylContact C-O 3.57Å; E210-Q214 VanDerWaalsContact CA-O 3.24Å; E210-Q214 WeakPolarHBondContact CA-O 3.19Å; E210-L215 HydrophobicContact CG-CB 4.27Å; E210-L215 HydrophobicContact CG-CG 4.38Å
211E80.4Confident76.7Confident45 Ų4563 Ų6321%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-124.3124.4172.1-173.2178138.300108.2H192 K193 V194 G213 Q214 K216H192-E211 HydrophobicContact CB-CG 3.89Å; H192-E211 IonicContact CG-OE1 3.38Å; K193-E211 CarbonylContact O-C 3.49Å; K193-E211 WeakPolarHBondContact O-CA 3.39Å; V194-E211 HydrophobicContact CG2-CB 4.46Å; V194-E211 HydrophobicContact CG2-CG 4.03Å; E211-G213 PolarHBondContact O-N 3.5Å; E211-Q214 PolarHBondContact N-O 3.49Å; E211-Q214 PolarHBondContact O-N 3.16Å; E211-K216 HydrophobicContact CB-CD 3.78Å; E211-K216 HydrophobicContact CB-CG 4.07Å; E211-K216 HydrophobicContact CG-CD 4.48Å; E211-K216 IonicContact OE1-NZ 2.67Å; E211-K216 PolarHBondContact OE1-NZ 3.49Å; E211-K216 VanDerWaalsContact OE2-CD 3.23Å; E211-K216 WeakPolarHBondContact OE2-CD 2.8Å; E211-K216 VanDerWaalsContact OE2-CE 3.23Å; E211-K216 WeakPolarHBondContact OE2-CE 3.03Å; E211-K216 IonicContact OE2-NZ 2.94Å; E211-K216 PolarHBondContact OE2-NZ 3.45Å
212D72.4Confident76.5Confident90 Ų9063.5 Ų63.548%0.48137%0.371SS..THydrogen-bonded Turntrans50.831.2-176.4-61.6-33000114.2H192 K193 Q214H192-D212 IonicContact CE1-OD2 3.99Å; H192-D212 IonicContact CG-OD2 2.65Å; H192-D212 IonicContact ND1-OD2 3.06Å; H192-D212 PolarHBondContact ND1-OD2 2.77Å; K193-D212 PolarHBondContact N-OD1 3.05Å; K193-D212 PolarHBondContact O-N 2.92Å; D212-Q214 VanDerWaalsContact C-N 3.34Å
213G70.5Confident76.4Confident66 Ų6665.4 Ų65.468%0.6837%0.374SS*.THydrogen-bonded Turntrans84.41.9-178.400000114.9E211E211-G213 PolarHBondContact O-N 3.5Å
214Q72.3Confident76.5Confident128 Ų12867.2 Ų67.260%0.59836%0.364SS*.EExtended strand (participates in β ladder)trans-99.3127.3172.1-63.2-1758.100110.5E210 E211 D212 K216E210-Q214 CarbonylContact C-O 3.57Å; E210-Q214 VanDerWaalsContact CA-O 3.24Å; E210-Q214 WeakPolarHBondContact CA-O 3.19Å; E211-Q214 PolarHBondContact N-O 3.49Å; E211-Q214 PolarHBondContact O-N 3.16Å; D212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-K216 PolarHBondContact O-N 2.87Å
215L73.9Confident76.5Confident67 Ų6767.3 Ų67.335%0.35136%0.364SS..EExtended strand (participates in β ladder)trans-72.6109.7178.4-167.3146.7000109.5E208 E210 V218 L226E208-L215 HydrophobicContact CB-CD1 4.28Å; E208-L215 HydrophobicContact CG-CD1 4.4Å; E210-L215 HydrophobicContact CG-CB 4.27Å; E210-L215 HydrophobicContact CG-CG 4.38Å; L215-V218 HydrophobicContact CD1-CG2 4.21Å; L215-V218 HydrophobicContact CD2-CG2 3.27Å; L215-V218 HydrophobicContact CG-CG2 4.27Å; L215-L226 HydrophobicContact CD2-CD2 4.31Å
216K77.5Confident75.8Confident54 Ų5468.9 Ų68.924%0.23537%0.374CS..EExtended strand (participates in β ladder)trans-92.1-36-177-78.1-158175.6178.10113V209 E211 Q214 W228 D230V209-K216 PolarHBondContact O-N 2.73Å; E211-K216 HydrophobicContact CB-CD 3.78Å; E211-K216 HydrophobicContact CB-CG 4.07Å; E211-K216 HydrophobicContact CG-CD 4.48Å; E211-K216 IonicContact OE1-NZ 2.67Å; E211-K216 PolarHBondContact OE1-NZ 3.49Å; E211-K216 VanDerWaalsContact OE2-CD 3.23Å; E211-K216 WeakPolarHBondContact OE2-CD 2.8Å; E211-K216 VanDerWaalsContact OE2-CE 3.23Å; E211-K216 WeakPolarHBondContact OE2-CE 3.03Å; E211-K216 IonicContact OE2-NZ 2.94Å; E211-K216 PolarHBondContact OE2-NZ 3.45Å; Q214-K216 PolarHBondContact O-N 2.87Å; K216-W228 PolarHBondContact O-N 2.82Å; K216-D230 IonicContact NZ-OD2 3.12Å
217S75.6Confident75Confident23 Ų2370.1 Ų70.116%0.16138%0.382CS..EExtended strand (participates in β ladder)trans-143.7145.6177.672.50000114.4E208 V209 L226E208-S217 CarbonylContact C-O 3.45Å; E208-S217 WeakPolarHBondContact CA-O 3.42Å; V209-S217 WeakPolarHBondContact CB-OG 3.24Å; V209-S217 WeakPolarHBondContact CG2-OG 3.33Å; V209-S217 PolarHBondContact N-O 3.48Å; V209-S217 PolarHBondContact O-N 2.8Å; S217-L226 CarbonylContact C-O 3.49Å; S217-L226 WeakPolarHBondContact CA-O 3.1Å
218V80.6Confident73.6Confident25 Ų2577.2 Ų77.215%0.15241%0.406CS..EExtended strand (participates in β ladder)trans-127.1122.3167.1-170.90000108.8V207 E208 L215 V220 Q225 L226V207-V218 CarbonylContact O-C 3.53Å; V207-V218 WeakPolarHBondContact O-CA 3.23Å; E208-V218 HydrophobicContact CG-CG1 4.22Å; E208-V218 HydrophobicContact CG-CG2 4.32Å; L215-V218 HydrophobicContact CD1-CG2 4.21Å; L215-V218 HydrophobicContact CD2-CG2 3.27Å; L215-V218 HydrophobicContact CG-CG2 4.27Å; V218-V220 HydrophobicContact CG1-CG2 4.05Å; V218-Q225 PolarHBondContact O-N 2.78Å; V218-L226 HydrophobicContact CB-CB 4.03Å; V218-L226 HydrophobicContact CG2-CB 4.11Å; V218-L226 PolarHBondContact N-O 2.96Å; V218-L226 PolarHBondContact O-N 3.31Å
219T78.6Confident72Confident37 Ų3782.9 Ų82.923%0.22743%0.434CS..EExtended strand (participates in β ladder)trans-114.7123.1174.4-57.40000109R206 V207R206-T219 CarbonylContact C-O 3.58Å; R206-T219 VanDerWaalsContact CA-O 3.27Å; R206-T219 WeakPolarHBondContact CA-O 3.39Å; V207-T219 PolarHBondContact N-O 2.83Å; V207-T219 PolarHBondContact O-N 2.85Å
220V80.4Confident70.4Confident40 Ų4085.7 Ų85.724%0.24245%0.448CS..EExtended strand (participates in β ladder)trans-117.3121.9177.6-174.90000109.2E205 R206 V218 G222 K223 Q225E205-V220 CarbonylContact O-C 3.58Å; E205-V220 VanDerWaalsContact O-CA 3.32Å; E205-V220 WeakPolarHBondContact O-CA 3.49Å; R206-V220 HydrophobicContact CB-CG2 4.11Å; V218-V220 HydrophobicContact CG1-CG2 4.05Å; V220-G222 PolarHBondContact O-N 3.16Å; V220-K223 PolarHBondContact N-O 2.96Å; V220-K223 PolarHBondContact O-N 3Å; V220-Q225 HydrophobicContact CB-CG 4.1Å; V220-Q225 HydrophobicContact CG2-CG 4.06Å
221N75.2Confident68.6Low86 Ų8689.4 Ų89.446%0.4648%0.478SS..THydrogen-bonded Turntrans5241.4-178.3-61.5-35.6000113Q204 E205 K223Q204-N221 VanDerWaalsContact CA-OD1 3.31Å; Q204-N221 WeakPolarHBondContact CA-OD1 3.31Å; E205-N221 PolarHBondContact N-OD1 3.1Å; E205-N221 PolarHBondContact O-N 3.42Å; N221-K223 PolarHBondContact O-N 3.25Å
222G69.8Low66.6Low69 Ų69100.1 Ų100.171%0.71152%0.524SS*.THydrogen-bonded Turntrans733.6-178.300000115.1V220V220-G222 PolarHBondContact O-N 3.16Å
223K71.1Confident66.3Low148 Ų148100.7 Ų100.764%0.64353%0.527SS*.EExtended strand (participates in β ladder)trans-100.6116.8172-63.4-178.1179.9179.50108.9V220 N221 Q225V220-K223 PolarHBondContact N-O 2.96Å; V220-K223 PolarHBondContact O-N 3Å; N221-K223 PolarHBondContact O-N 3.25Å; K223-Q225 PolarHBondContact O-N 2.77Å
224E71.5Confident66.1Low107 Ų107102.5 Ų102.550%0.552%0.519SS..EExtended strand (participates in β ladder)trans-64.2115.2172.9-166.5174.5-163.200108K227E224-K227 HydrophobicContact CG-CB 4.47Å; E224-K227 WeakPolarHBondContact OE1-CB 3.33Å; E224-K227 VanDerWaalsContact OE1-CD 3.27Å; E224-K227 WeakPolarHBondContact OE1-CD 3.32Å; E224-K227 WeakPolarHBondContact OE1-CG 3.12Å; E224-K227 IonicContact OE1-NZ 3.77Å
225Q67.6Low65.7Low125 Ų125101.1 Ų101.158%0.58451%0.514SS*.EExtended strand (participates in β ladder)trans-101.6-33.1-176.1-68.5-68.7-7.400111.6V218 V220 K223V218-Q225 PolarHBondContact O-N 2.78Å; V220-Q225 HydrophobicContact CB-CG 4.1Å; V220-Q225 HydrophobicContact CG2-CG 4.06Å; K223-Q225 PolarHBondContact O-N 2.77Å
226L64.6Low65.3Low95 Ų95103.1 Ų103.150%0.49752%0.524SS..EExtended strand (participates in β ladder)trans-136.6119.6-178.6-140.587000107.9L215 S217 V218L215-L226 HydrophobicContact CD2-CD2 4.31Å; S217-L226 CarbonylContact C-O 3.49Å; S217-L226 WeakPolarHBondContact CA-O 3.1Å; V218-L226 HydrophobicContact CB-CB 4.03Å; V218-L226 HydrophobicContact CG2-CB 4.11Å; V218-L226 PolarHBondContact N-O 2.96Å; V218-L226 PolarHBondContact O-N 3.31Å
227K62.8Low64.5Low133 Ų133106.1 Ų106.158%0.57854%0.542SS*.EExtended strand (participates in β ladder)trans-125.8108.6166-169.3-178-163.8156.50106.6E224 M229E224-K227 HydrophobicContact CG-CB 4.47Å; E224-K227 WeakPolarHBondContact OE1-CB 3.33Å; E224-K227 VanDerWaalsContact OE1-CD 3.27Å; E224-K227 WeakPolarHBondContact OE1-CD 3.32Å; E224-K227 WeakPolarHBondContact OE1-CG 3.12Å; E224-K227 IonicContact OE1-NZ 3.77Å; K227-M229 HydrophobicContact CD-CG 4.13Å; K227-M229 HydrophobicContact CG-CG 4.27Å; K227-M229 PolarHBondContact O-N 3.39Å; K227-M229 VanDerWaalsContact O-N 3.09Å
228W52.9Low63.7Low178 Ų178111.7 Ų111.767%0.67457%0.567SS**  trans-74.7101.4167.3-163.4-99.7000106.7K216 D230K216-W228 PolarHBondContact O-N 2.82Å; W228-D230 PolarHBondContact NE1-OD1 3.04Å; W228-D230 PolarHBondContact O-N 3.4Å
229M52.2Low62.5Low151 Ų151117.9 Ų117.974%0.74460%0.597SS**  trans-79104.8165.9-71.9176.469.500105.9K227 S231K227-M229 HydrophobicContact CD-CG 4.13Å; K227-M229 HydrophobicContact CG-CG 4.27Å; K227-M229 PolarHBondContact O-N 3.39Å; K227-M229 VanDerWaalsContact O-N 3.09Å; M229-S231 PolarHBondContact O-N 3.04Å
230D46.7Very low61.3Low93 Ų93124.1 Ų124.150%0.49763%0.625SS.*  trans-54.6106.5164.7-68.9-47000107.3K216 W228 K232K216-D230 IonicContact NZ-OD2 3.12Å; W228-D230 PolarHBondContact NE1-OD1 3.04Å; W228-D230 PolarHBondContact O-N 3.4Å; D230-K232 PolarHBondContact O-N 3.02Å; D230-K232 VanDerWaalsContact O-N 3.16Å
231S43.3Very low59.7Low117 Ų117131.1 Ų131.182%0.81866%0.657SS**  trans-77.2102178.7-164.50000107.9M229M229-S231 PolarHBondContact O-N 3.04Å
232K38.9Very low58.3Low271 Ų271135.2 Ų135.2100%1.17868%0.675SS**  trans79.80157.3-151.4179.2-171.5-175.50118.8D230D230-K232 PolarHBondContact O-N 3.02Å; D230-K232 VanDerWaalsContact O-N 3.16Å

Retrieved 232 of 232 residues in 965.6 ms (Link to these results)

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