A0A3Q0KR18_SCHMA Loading...

RNA-binding protein 48

As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A3Q0KR18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 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
1M48.6Very low65.4Low150 Ų150104.9 Ų104.974%0.73952%0.519SS*.  0116.20-82.9172.7173.200107.5F3M1-F3 HydrophobicContact CB-CD1 4.41Å; M1-F3 HydrophobicContact CB-CE1 3.94Å; M1-F3 HydrophobicContact CB-CE2 4.39Å; M1-F3 HydrophobicContact CB-CZ 3.94Å; M1-F3 PolarHBondContact O-N 2.96Å; M1-F3 HydrophobicContact SD-CE1 4.02Å; M1-F3 HydrophobicContact SD-CZ 4.15Å
2K51.9Low66.8Low209 Ų209102.4 Ų102.491%0.90951%0.505SS*.  trans-82.3111.3168.1-74.1-175.9178.7-178.10106.5E4K2-E4 PolarHBondContact O-N 2.67Å
3F60.7Low68.4Low22 Ų2295 Ų9510%0.09647%0.468CS..  trans-82.499.2176.7-61-64.3000107.8M1 N5 Q6 Y54 V83 V99 Y133M1-F3 HydrophobicContact CB-CD1 4.41Å; M1-F3 HydrophobicContact CB-CE1 3.94Å; M1-F3 HydrophobicContact CB-CE2 4.39Å; M1-F3 HydrophobicContact CB-CZ 3.94Å; M1-F3 PolarHBondContact O-N 2.96Å; M1-F3 HydrophobicContact SD-CE1 4.02Å; M1-F3 HydrophobicContact SD-CZ 4.15Å; F3-N5 PolarHBondContact O-N 2.78Å; F3-Q6 HydrophobicContact CB-CG 3.64Å; F3-Q6 VanDerWaalsContact O-CG 3.32Å; F3-Q6 WeakPolarHBondContact O-CG 3.13Å; F3-Q6 PolarHBondContact O-N 3.08Å; F3-Q6 PolarHBondContact O-NE2 3.48Å; F3-Y54 HydrophobicContact CE1-CE1 4.42Å; F3-V83 HydrophobicContact CE2-CB 4.13Å; F3-V83 HydrophobicContact CE2-CG1 4.05Å; F3-V83 HydrophobicContact CE2-CG2 4.28Å; F3-V99 HydrophobicContact CZ-CG1 4.3Å; F3-Y133 HydrophobicContact CB-CD1 4.07Å; F3-Y133 HydrophobicContact CB-CE1 3.64Å; F3-Y133 AromaticContact CD1-CD1 3.26Å; F3-Y133 HydrophobicContact CD1-CD1 3.26Å; F3-Y133 AromaticContact CD1-CE1 3.72Å; F3-Y133 HydrophobicContact CD1-CE1 3.72Å; F3-Y133 HydrophobicContact CD1-CG 4.36Å; F3-Y133 HydrophobicContact CD2-CD1 4.13Å; F3-Y133 AromaticContact CD2-CE1 3.88Å; F3-Y133 HydrophobicContact CD2-CE1 3.88Å; F3-Y133 AromaticContact CE1-CD1 3.54Å; F3-Y133 HydrophobicContact CE1-CD1 3.54Å; F3-Y133 HydrophobicContact CE1-CE1 4.27Å; F3-Y133 HydrophobicContact CE2-CD1 4.36Å; F3-Y133 HydrophobicContact CE2-CE1 4.41Å; F3-Y133 AromaticContact CG-CD1 3.57Å; F3-Y133 HydrophobicContact CG-CD1 3.57Å; F3-Y133 AromaticContact CG-CE1 3.48Å; F3-Y133 HydrophobicContact CG-CE1 3.48Å; F3-Y133 VanDerWaalsContact CG-CE1 3.48Å; F3-Y133 HydrophobicContact CZ-CD1 4.08Å
4E55.4Low69.7Low186 Ų18691.7 Ų91.787%0.86946%0.464SS*.THydrogen-bonded Turntrans-62.6-19.9179.9-139.8167.6-157.200112.1K2K2-E4 PolarHBondContact O-N 2.67Å
5N57.9Low70.6Confident51 Ų5193.3 Ų93.327%0.27347%0.466SS..THydrogen-bonded Turntrans-92.68.1-179.9-68.2-38.9000114.8F3 T7 K8 E132F3-N5 PolarHBondContact O-N 2.78Å; N5-T7 PolarHBondContact O-N 2.85Å; N5-T7 VanDerWaalsContact O-N 3.11Å; N5-K8 PolarHBondContact O-N 3.44Å; N5-K8 PolarHBondContact OD1-NZ 2.76Å; N5-E132 PolarHBondContact ND2-O 3.32Å
6Q60.6Low71.3Confident53 Ų5393.2 Ų93.225%0.24847%0.472CS..THydrogen-bonded Turntrans-56.7-28.6-178.8-81.516983.100113.9F3 I85 P89F3-Q6 HydrophobicContact CB-CG 3.64Å; F3-Q6 VanDerWaalsContact O-CG 3.32Å; F3-Q6 WeakPolarHBondContact O-CG 3.13Å; F3-Q6 PolarHBondContact O-N 3.08Å; F3-Q6 PolarHBondContact O-NE2 3.48Å; Q6-I85 HydrophobicContact CG-CG2 4.18Å; Q6-P89 WeakPolarHBondContact O-CD 3.5Å
7T60Low71.9Confident111 Ų11190.4 Ų90.468%0.68147%0.471SS*.THydrogen-bonded Turntrans-88.4-11.3-173.357.40000114N5N5-T7 PolarHBondContact O-N 2.85Å; N5-T7 VanDerWaalsContact O-N 3.11Å
8K76.4Confident72.3Confident115 Ų11588.8 Ų88.850%0.547%0.468SS..PPolyproline II helixtrans-85120.9-176.4-73.4177.2-174.9160.20110.6N5 F10N5-K8 PolarHBondContact O-N 3.44Å; N5-K8 PolarHBondContact OD1-NZ 2.76Å; K8-F10 HydrophobicContact CB-CD2 4.29Å; K8-F10 HydrophobicContact CB-CE2 3.55Å; K8-F10 HydrophobicContact CB-CZ 3.91Å; K8-F10 HydrophobicContact CD-CZ 4.31Å; K8-F10 WeakPolarHBondContact O-CD2 2.64Å; K8-F10 WeakPolarHBondContact O-CE2 3.18Å; K8-F10 PolarHBondContact O-N 2.86Å
9H80.1Confident72.5Confident106 Ų10684.6 Ų84.649%0.49145%0.447SS..PPolyproline II helixtrans-80.2117.1171.8178.8-93000110.6P89H9-P89 HydrophobicContact CB-CB 4.24Å; H9-P89 HydrophobicContact CB-CG 4.05Å
10F84.7Confident72.8Confident57 Ų5788.2 Ų88.225%0.2546%0.458CS..PPolyproline II helixtrans-102.2133.8176.1-65.1-91.2000111.4K8 H12 H13 E132K8-F10 HydrophobicContact CB-CD2 4.29Å; K8-F10 HydrophobicContact CB-CE2 3.55Å; K8-F10 HydrophobicContact CB-CZ 3.91Å; K8-F10 HydrophobicContact CD-CZ 4.31Å; K8-F10 WeakPolarHBondContact O-CD2 2.64Å; K8-F10 WeakPolarHBondContact O-CE2 3.18Å; K8-F10 PolarHBondContact O-N 2.86Å; F10-H12 AromaticContact CG-CE1 3.91Å; F10-H12 PolarHBondContact O-N 2.89Å; F10-H12 VanDerWaalsContact O-N 3.11Å; F10-H13 AromaticContact CD2-CE1 3.65Å; F10-H13 WeakPolarHBondContact O-CB 3.42Å; F10-H13 PolarHBondContact O-N 3.48Å; F10-H13 VanDerWaalsContact O-N 3.1Å; F10-E132 HydrophobicContact CD2-CG 4.21Å; F10-E132 HydrophobicContact CE1-CB 4.45Å; F10-E132 HydrophobicContact CE2-CB 4.21Å; F10-E132 HydrophobicContact CE2-CG 3.59Å; F10-E132 HydrophobicContact CZ-CB 3.86Å; F10-E132 HydrophobicContact CZ-CG 3.78Å
11S82.6Confident73Confident94 Ų9487.2 Ų87.266%0.65746%0.457SS*.THydrogen-bonded Turntrans-62.5-21.5-177.560.10000114.4
12H82.6Confident74.1Confident75 Ų7582.3 Ų82.335%0.34743%0.43SS..THydrogen-bonded Turntrans-85.3-11.4179.770.7-86.1000113.7F10 Y129 E132F10-H12 AromaticContact CG-CE1 3.91Å; F10-H12 PolarHBondContact O-N 2.89Å; F10-H12 VanDerWaalsContact O-N 3.11Å; H12-Y129 PolarHBondContact NE2-O 2.68Å; H12-E132 IonicContact CE1-OE2 3.15Å; H12-E132 IonicContact NE2-OE2 2.74Å
13H88.1Confident75.3Confident6 Ų675.3 Ų75.33%0.02841%0.405CS..THydrogen-bonded Turntrans-77.7-25.8173.6-63.7172.3000112.4F10 K15 F58 Y88 H126 E132F10-H13 AromaticContact CD2-CE1 3.65Å; F10-H13 WeakPolarHBondContact O-CB 3.42Å; F10-H13 PolarHBondContact O-N 3.48Å; F10-H13 VanDerWaalsContact O-N 3.1Å; H13-K15 PolarHBondContact O-N 3.41Å; H13-F58 HydrophobicContact CB-CE2 4.3Å; H13-F58 HydrophobicContact CB-CZ 3.99Å; H13-Y88 WeakPolarHBondContact CB-OH 3.44Å; H13-Y88 AromaticContact ND1-CZ 3.88Å; H13-Y88 PolarHBondContact ND1-OH 3.04Å; H13-H126 PolarHBondContact O-NE2 2.84Å; H13-E132 IonicContact CE1-OE1 2.66Å; H13-E132 PolarHBondContact CE1-OE1 3.41Å; H13-E132 IonicContact NE2-OE1 3.06Å; H13-E132 PolarHBondContact NE2-OE1 3.46Å; H13-E132 IonicContact NE2-OE2 3.75Å
14A85.8Confident76.3Confident49 Ų4978.7 Ų78.741%0.40544%0.438SS..SBendtrans-63.5132.417900000111V16A14-V16 PolarHBondContact O-N 3.28Å; A14-V16 VanDerWaalsContact O-N 3.15Å
15K84Confident77.6Confident115 Ų11578.5 Ų78.550%0.543%0.43SS..  trans-66.4114176-170.4170.3-170.2164.60109.6H13 D117 H126H13-K15 PolarHBondContact O-N 3.41Å; K15-D117 VanDerWaalsContact CE-OD1 3.29Å; K15-D117 WeakPolarHBondContact CE-OD1 3.4Å; K15-D117 IonicContact NZ-OD1 2.84Å; K15-D117 PolarHBondContact NZ-OD1 2.9Å; K15-H126 HydrophobicContact CD-CB 4.18Å
16V80.9Confident78.4Confident92 Ų9284.1 Ų84.156%0.55845%0.448SS*.PPolyproline II helixtrans-91.2133.3175.9-175.50000108.6A14 A33A14-V16 PolarHBondContact O-N 3.28Å; A14-V16 VanDerWaalsContact O-N 3.15Å; V16-A33 HydrophobicContact CB-CB 4.41Å; V16-A33 WeakPolarHBondContact O-CB 3.49Å
17G81.3Confident79.3Confident45 Ų4584.7 Ų84.746%0.46445%0.453SS..PPolyproline II helixtrans-63.4173.8176.100000113.9C19G17-C19 PolarHBondContact O-N 3.11Å
18P80.6Confident80.3Confident63 Ų6381.2 Ų81.241%0.40944%0.439SS..PPolyproline II helixtrans-57.9138.4178.122.8-32.5000112.1F20 K31P18-F20 HydrophobicContact CB-CE2 4.48Å; P18-F20 HydrophobicContact CB-CZ 4.2Å; P18-F20 HydrophobicContact CG-CE1 4.43Å; P18-F20 HydrophobicContact CG-CE2 3.93Å; P18-F20 HydrophobicContact CG-CZ 3.65Å; P18-F20 WeakPolarHBondContact O-CD2 3.36Å; P18-F20 PolarHBondContact O-N 3.42Å; P18-K31 HydrophobicContact CB-CB 3.76Å
19C75.6Confident80.7Confident9 Ų988.5 Ų88.56%0.06146%0.463CS..  trans-85.2111.1177.1172.80000110.3G17 T21 R22 T32 V34 V36G17-C19 PolarHBondContact O-N 3.11Å; C19-T21 PolarHBondContact SG-OG1 2.93Å; C19-R22 HydrophobicContact CB-CG 4.38Å; C19-T32 PolarHBondContact N-O 3.43Å; C19-V34 HydrophobicContact CB-CB 4.47Å; C19-V34 WeakPolarHBondContact CB-O 3.19Å; C19-V36 PolarHBondContact SG-O 2.83Å
20F78.9Confident80.8Confident155 Ų15593.5 Ų93.568%0.6848%0.478SS*.  trans-87.2-10.3179-62-72.2000114.4P18 R22P18-F20 HydrophobicContact CB-CE2 4.48Å; P18-F20 HydrophobicContact CB-CZ 4.2Å; P18-F20 HydrophobicContact CG-CE1 4.43Å; P18-F20 HydrophobicContact CG-CE2 3.93Å; P18-F20 HydrophobicContact CG-CZ 3.65Å; P18-F20 WeakPolarHBondContact O-CD2 3.36Å; P18-F20 PolarHBondContact O-N 3.42Å; F20-R22 VanDerWaalsContact C-N 3.3Å; F20-R22 PolarHBondContact O-N 3.44Å
21T75.5Confident80.7Confident69 Ų6995.6 Ų95.642%0.42349%0.487SS..  trans-89.39.6-174.345.30000113.5C19 V36 T37C19-T21 PolarHBondContact SG-OG1 2.93Å; T21-V36 PolarHBondContact OG1-O 2.96Å; T21-V36 VanDerWaalsContact OG1-O 3.06Å; T21-T37 WeakPolarHBondContact CB-OG1 3.38Å; T21-T37 WeakPolarHBondContact OG1-CB 3.37Å; T21-T37 PolarHBondContact OG1-OG1 3.41Å
22R72.4Confident80.4Confident47 Ų4794.5 Ų94.518%0.17748%0.476CS..  trans-69.1135.9179.8-65.2-175.2-178.5-142.611.5110.7C19 F20 T32C19-R22 HydrophobicContact CB-CG 4.38Å; F20-R22 VanDerWaalsContact C-N 3.3Å; F20-R22 PolarHBondContact O-N 3.44Å; R22-T32 VanDerWaalsContact NH2-C 3.33Å; R22-T32 PolarHBondContact NH2-O 3.44Å; R22-T32 PolarHBondContact NH2-OG1 2.9Å
23P78.3Confident79.8Confident61 Ų6193.4 Ų93.440%0.39648%0.48SS..  trans-57.3143.6166.6-23.933.9000111Y25 R26 D27P23-Y25 HydrophobicContact CB-CD1 3.55Å; P23-Y25 HydrophobicContact CB-CE1 3.23Å; P23-Y25 HydrophobicContact CG-CE1 3.91Å; P23-Y25 PolarHBondContact O-N 3.41Å; P23-R26 PolarHBondContact O-N 2.97Å; P23-D27 PolarHBondContact O-N 3.37Å
24A80.6Confident78.5Confident94 Ų9495.9 Ų95.978%0.77750%0.496SS*.G310 helixtrans-54.1-29.9-176.500000114.1R26 D27A24-R26 VanDerWaalsContact C-N 3.34Å; A24-R26 PolarHBondContact O-N 3.28Å; A24-D27 PolarHBondContact O-N 3.18Å
25Y83.2Confident77.1Confident182 Ų18298.3 Ų98.371%0.71450%0.497SS*.G310 helixtrans-76.7-14.3177.773.4-91.1000114.5P23P23-Y25 HydrophobicContact CB-CD1 3.55Å; P23-Y25 HydrophobicContact CB-CE1 3.23Å; P23-Y25 HydrophobicContact CG-CE1 3.91Å; P23-Y25 PolarHBondContact O-N 3.41Å
26R75Confident75.4Confident169 Ų16994.8 Ų94.864%0.63849%0.485SS*.G310 helixtrans-109.65.6172.8-65.4-151.9177.5-131.11.2112.7P23 A24 G28P23-R26 PolarHBondContact O-N 2.97Å; A24-R26 VanDerWaalsContact C-N 3.34Å; A24-R26 PolarHBondContact O-N 3.28Å; R26-G28 PolarHBondContact O-N 2.96Å
27D78.5Confident73.5Confident65 Ų6594.5 Ų94.535%0.34848%0.484SS..  trans-80118179.8-160.521.3000109.1P23 A24 K31P23-D27 PolarHBondContact O-N 3.37Å; A24-D27 PolarHBondContact O-N 3.18Å; D27-K31 IonicContact OD1-NZ 4Å; D27-K31 PolarHBondContact OD1-NZ 3.21Å; D27-K31 IonicContact OD2-NZ 3.95Å; D27-K31 PolarHBondContact OD2-NZ 3.25Å
28G80.4Confident71.9Confident38 Ų38104.3 Ų104.339%0.39251%0.506SS..  trans-78.8168179.300000111.5R26 R30R26-G28 PolarHBondContact O-N 2.96Å; G28-R30 PolarHBondContact O-N 3.11Å
29R85.1Confident70.4Confident267 Ų267106.2 Ų106.2100%1.00852%0.522SS*.SBendtrans-57.6-31.6171.1-65.5-175.5-177-174.50.6112.4
30R83.3Confident69Low212 Ų212112.8 Ų112.880%0.856%0.555SS**SBendtrans-113.3133.6175.7-64.8-176.2178.8-179.5-1.4109.2G28 T32G28-R30 PolarHBondContact O-N 3.11Å; R30-T32 PolarHBondContact O-N 3.44Å; R30-T32 VanDerWaalsContact O-N 3.15Å
31K81.8Confident67.2Low101 Ų101113.7 Ų113.744%0.43956%0.559SS.*  trans-69.7108.2174.4-62.5-64.4-179.1178.90108.5P18 D27P18-K31 HydrophobicContact CB-CB 3.76Å; D27-K31 IonicContact OD1-NZ 4Å; D27-K31 PolarHBondContact OD1-NZ 3.21Å; D27-K31 IonicContact OD2-NZ 3.95Å; D27-K31 PolarHBondContact OD2-NZ 3.25Å
32T77.3Confident65.8Low70 Ų70115.6 Ų115.643%0.42957%0.565SS.*  trans-104150.8177.340.90000109.9C19 R22 R30 V34C19-T32 PolarHBondContact N-O 3.43Å; R22-T32 VanDerWaalsContact NH2-C 3.33Å; R22-T32 PolarHBondContact NH2-O 3.44Å; R22-T32 PolarHBondContact NH2-OG1 2.9Å; R30-T32 PolarHBondContact O-N 3.44Å; R30-T32 VanDerWaalsContact O-N 3.15Å; T32-V34 PolarHBondContact O-N 3.49Å
33A69.4Low64.8Low53 Ų53117 Ų11744%0.43858%0.583SS.*  trans-61.6121.216500000108.2V16V16-A33 HydrophobicContact CB-CB 4.41Å; V16-A33 WeakPolarHBondContact O-CB 3.49Å
34V61.5Low63.6Low58 Ų58118.2 Ų118.235%0.35258%0.583SS.*  trans-125134.1159.6147.70000103.8C19 T32 V36C19-V34 HydrophobicContact CB-CB 4.47Å; C19-V34 WeakPolarHBondContact CB-O 3.19Å; T32-V34 PolarHBondContact O-N 3.49Å; V34-V36 HydrophobicContact CG1-CB 3.65Å; V34-V36 HydrophobicContact CG1-CG2 3.19Å; V34-V36 PolarHBondContact O-N 3.4Å
35K55.6Low62.5Low100 Ų100119.2 Ų119.244%0.43558%0.579SS.*SBendtrans-69.369177.2-173.8169.8178167.70109.2S43 Q44K35-S43 WeakPolarHBondContact O-CA 3.38Å; K35-Q44 HydrophobicContact CD-CB 4.17Å; K35-Q44 HydrophobicContact CD-CG 4.19Å; K35-Q44 VanDerWaalsContact NZ-CD 3.31Å
36V47.9Very low61.7Low41 Ų41117.1 Ų117.125%0.24857%0.574CS.*  trans-139.5125.4-179.6176.90000107.9C19 T21 V34 S43C19-V36 PolarHBondContact SG-O 2.83Å; T21-V36 PolarHBondContact OG1-O 2.96Å; T21-V36 VanDerWaalsContact OG1-O 3.06Å; V34-V36 HydrophobicContact CG1-CB 3.65Å; V34-V36 HydrophobicContact CG1-CG2 3.19Å; V34-V36 PolarHBondContact O-N 3.4Å; V36-S43 WeakPolarHBondContact CG2-OG 3.43Å
37T41Very low61.6Low86 Ų86112.3 Ų112.353%0.52856%0.563SS.*  trans73.5103.4163.216.60000118.3T21T21-T37 WeakPolarHBondContact CB-OG1 3.38Å; T21-T37 WeakPolarHBondContact OG1-CB 3.37Å; T21-T37 PolarHBondContact OG1-OG1 3.41Å
38R47.3Very low61.5Low250 Ų250111.3 Ų111.394%0.94356%0.559SS**SBend-163.76.1118.6-137.2-176174.2167.5-2116.7
39S49.4Very low61.5Low104 Ų104111.9 Ų111.973%0.72756%0.561SS**SBendtrans-132.1155.7152.2-161.60000106.7F41S39-F41 PolarHBondContact O-N 3.29Å
40L46.1Very low61.5Low146 Ų146102.1 Ų102.176%0.76453%0.528SS*.SBendtrans-37.3137168.8-87.856.2000110.2
41F41Very low61.8Low175 Ų17593.4 Ų93.477%0.76850%0.497SS*.SBendtrans94.3114.6169.5-62-79.7000118.7S39S39-F41 PolarHBondContact O-N 3.29Å
42I46.4Very low62.3Low108 Ų10888.6 Ų88.655%0.55448%0.476SS*.  trans87.380.7152.7-33.4129.7000116.6Q44I42-Q44 HydrophobicContact CB-CG 4.18Å; I42-Q44 HydrophobicContact CG2-CB 4.17Å; I42-Q44 HydrophobicContact CG2-CG 3.23Å; I42-Q44 PolarHBondContact O-N 2.88Å
43S51Low63.1Low77 Ų7786.4 Ų86.454%0.53846%0.463SS..  trans-54.293.2136.4-46.70000107.7K35 V36 V45K35-S43 WeakPolarHBondContact O-CA 3.38Å; V36-S43 WeakPolarHBondContact CG2-OG 3.43Å; S43-V45 PolarHBondContact O-N 2.9Å
44Q53.9Low64.4Low87 Ų8784 Ų8441%0.40744%0.443SS..  trans-71103171.7-74.4-175.4-26.300105.9K35 I42 F46K35-Q44 HydrophobicContact CD-CB 4.17Å; K35-Q44 HydrophobicContact CD-CG 4.19Å; K35-Q44 VanDerWaalsContact NZ-CD 3.31Å; I42-Q44 HydrophobicContact CB-CG 4.18Å; I42-Q44 HydrophobicContact CG2-CB 4.17Å; I42-Q44 HydrophobicContact CG2-CG 3.23Å; I42-Q44 PolarHBondContact O-N 2.88Å; Q44-F46 PolarHBondContact O-N 2.83Å
45V57.7Low66Low114 Ų11481.3 Ų81.369%0.69143%0.426SS*.  trans-64123.8162.6179.20000105S43 T47S43-V45 PolarHBondContact O-N 2.9Å; V45-T47 PolarHBondContact O-N 3.48Å
46F65.6Low67.8Low139 Ų13976.5 Ų76.561%0.6141%0.406SS*.  trans-60.7112.6170.8-71.5-78.4000107.8Q44 D50Q44-F46 PolarHBondContact O-N 2.83Å; F46-D50 HydrophobicContact CD1-CB 4.2Å
47T72.4Confident70.1Confident67 Ų6774.6 Ų74.641%0.41139%0.394SS..  trans-88.9164.5171.467.50000109.1V45 A49 D50 E51V45-T47 PolarHBondContact O-N 3.48Å; T47-A49 PolarHBondContact O-N 3.39Å; T47-A49 VanDerWaalsContact O-N 3.09Å; T47-A49 PolarHBondContact OG1-N 3.23Å; T47-D50 WeakPolarHBondContact CB-OD2 3.32Å; T47-D50 PolarHBondContact N-OD2 3.19Å; T47-D50 PolarHBondContact O-N 2.84Å; T47-D50 PolarHBondContact OG1-N 2.92Å; T47-D50 PolarHBondContact OG1-OD2 2.76Å; T47-E51 PolarHBondContact O-N 3.24Å
48V77.5Confident72.7Confident44 Ų4471.9 Ų71.927%0.26738%0.375SS..THydrogen-bonded Turntrans-56.1-25171.7173.30000111.9K142 L143 C146V48-K142 HydrophobicContact CG1-CG 4.45Å; V48-K142 WeakPolarHBondContact O-CE 3.32Å; V48-L143 HydrophobicContact CG1-CD2 4.38Å; V48-C146 HydrophobicContact CG1-CB 3.86Å; V48-C146 WeakPolarHBondContact CG1-SG 3.38Å
49A80.4Confident74.9Confident51 Ų5160.2 Ų60.242%0.42133%0.333SS..THydrogen-bonded Turntrans-73.9-31.4176.100000112.7T47 E51T47-A49 PolarHBondContact O-N 3.39Å; T47-A49 VanDerWaalsContact O-N 3.09Å; T47-A49 PolarHBondContact OG1-N 3.23Å; A49-E51 VanDerWaalsContact C-N 3.34Å
50D84.3Confident77Confident61 Ų6155.3 Ų55.333%0.32630%0.298SS..THydrogen-bonded Turntrans-80.4-18178.3-54.2-56.8000112.6F46 T47 Y129F46-D50 HydrophobicContact CD1-CB 4.2Å; T47-D50 WeakPolarHBondContact CB-OD2 3.32Å; T47-D50 PolarHBondContact N-OD2 3.19Å; T47-D50 PolarHBondContact O-N 2.84Å; T47-D50 PolarHBondContact OG1-N 2.92Å; T47-D50 PolarHBondContact OG1-OD2 2.76Å; D50-Y129 WeakPolarHBondContact O-CB 3.4Å
51E89.3Confident79.4Confident29 Ų2949.3 Ų49.314%0.13627%0.268CS..  trans-88.8145.5173.8-61.5-179.3148.900110.5T47 A49 L105 R109 Y129 K142T47-E51 PolarHBondContact O-N 3.24Å; A49-E51 VanDerWaalsContact C-N 3.34Å; E51-L105 HydrophobicContact CB-CD1 4.33Å; E51-R109 IonicContact OE1-NE 2.94Å; E51-R109 PolarHBondContact OE1-NE 3.01Å; E51-R109 IonicContact OE2-CZ 2.61Å; E51-R109 IonicContact OE2-NE 3.98Å; E51-R109 PolarHBondContact OE2-NE 3.36Å; E51-R109 IonicContact OE2-NH2 3.85Å; E51-R109 PolarHBondContact OE2-NH2 3.3Å; E51-Y129 HydrophobicContact CB-CE1 4.41Å; E51-Y129 HydrophobicContact CB-CE2 4.32Å; E51-Y129 HydrophobicContact CG-CD2 4.3Å; E51-Y129 HydrophobicContact CG-CE2 3.82Å; E51-K142 PolarHBondContact O-NZ 3.39Å
52S92.9Very high81.8Confident0 Ų043.3 Ų43.30%025%0.248CC..  trans-141.5159.7178.855.80000112.4Y54 L105 A108 A130 E134S52-Y54 PolarHBondContact O-N 3.39Å; S52-Y54 PolarHBondContact OG-O 2.91Å; S52-L105 VanDerWaalsContact C-CD1 3.48Å; S52-A108 WeakPolarHBondContact O-CB 3.44Å; S52-A130 PolarHBondContact OG-N 3.31Å; S52-A130 VanDerWaalsContact OG-N 3.1Å; S52-E134 WeakPolarHBondContact CA-OE1 3.38Å; S52-E134 VanDerWaalsContact CB-CD 3.45Å; S52-E134 WeakPolarHBondContact CB-OE1 3.5Å
53C94.3Very high84Confident25 Ų2544 Ų4417%0.16925%0.252CS..SBendtrans-71-12.7168.5-73.10000112.2K101 Y102 L105 E134C53-K101 WeakPolarHBondContact O-CA 3.26Å; C53-Y102 WeakPolarHBondContact CB-O 3.43Å; C53-Y102 PolarHBondContact O-N 2.91Å; C53-L105 PolarHBondContact SG-N 3.48Å; C53-E134 PolarHBondContact N-OE1 3.25Å; C53-E134 VanDerWaalsContact N-OE1 3.1Å
54Y95.7Very high85.9Confident2 Ų246.2 Ų46.21%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-94.9122.5178.2-69.9-101000110.6F3 S52 V99 I100 K101 A130 E134 E138F3-Y54 HydrophobicContact CE1-CE1 4.42Å; S52-Y54 PolarHBondContact O-N 3.39Å; S52-Y54 PolarHBondContact OG-O 2.91Å; Y54-V99 HydrophobicContact CD1-CG1 3.92Å; Y54-I100 CarbonylContact C-O 3.37Å; Y54-I100 VanDerWaalsContact CA-O 3.31Å; Y54-I100 WeakPolarHBondContact CA-O 3.36Å; Y54-K101 HydrophobicContact CD1-CB 4.07Å; Y54-K101 HydrophobicContact CD1-CD 4.46Å; Y54-K101 HydrophobicContact CD1-CG 4.16Å; Y54-K101 HydrophobicContact CD2-CG 4.25Å; Y54-K101 HydrophobicContact CE1-CB 3.99Å; Y54-K101 HydrophobicContact CE1-CD 3.69Å; Y54-K101 HydrophobicContact CE1-CG 3.88Å; Y54-K101 HydrophobicContact CE2-CD 3.87Å; Y54-K101 HydrophobicContact CE2-CG 3.96Å; Y54-K101 HydrophobicContact CG-CG 4.37Å; Y54-K101 VanDerWaalsContact CZ-CE 3.4Å; Y54-K101 VanDerWaalsContact OH-CD 3.32Å; Y54-K101 WeakPolarHBondContact OH-CD 3.36Å; Y54-K101 WeakPolarHBondContact OH-CE 3.29Å; Y54-K101 PolarHBondContact OH-NZ 3.32Å; Y54-K101 VanDerWaalsContact OH-NZ 3.14Å; Y54-A130 PolarHBondContact O-N 3.17Å; Y54-E134 HydrophobicContact CD2-CB 4.46Å; Y54-E134 HydrophobicContact CD2-CG 3.47Å; Y54-E134 VanDerWaalsContact CD2-CG 3.47Å; Y54-E134 HydrophobicContact CE2-CB 4.44Å; Y54-E134 HydrophobicContact CE2-CG 3.81Å; Y54-E134 HydrophobicContact CG-CG 4.49Å; Y54-E138 PolarHBondContact OH-OE1 3.01Å; Y54-E138 PolarHBondContact OH-OE2 3.47Å
55L95.8Very high87.7Confident1 Ų142.8 Ų42.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-111.4139.2173.6-61.1-175.9000110V99 I100 Y102 A108 A111 K112 V127 C128 Y129L55-V99 CarbonylContact O-C 3.54Å; L55-V99 WeakPolarHBondContact O-CA 3.43Å; L55-I100 PolarHBondContact N-O 3.15Å; L55-I100 PolarHBondContact O-N 3.44Å; L55-Y102 HydrophobicContact CD1-CD2 4.23Å; L55-Y102 HydrophobicContact CD1-CE2 3.82Å; L55-A108 HydrophobicContact CD2-CB 4.47Å; L55-A108 HydrophobicContact CG-CB 4.41Å; L55-A111 HydrophobicContact CD1-CB 3.94Å; L55-K112 HydrophobicContact CD1-CB 4.22Å; L55-K112 HydrophobicContact CD2-CB 4.12Å; L55-V127 HydrophobicContact CB-CG1 4.14Å; L55-V127 HydrophobicContact CD1-CG1 4.07Å; L55-V127 HydrophobicContact CD2-CG1 4.45Å; L55-V127 HydrophobicContact CG-CG1 4.47Å; L55-C128 WeakPolarHBondContact CA-O 3.46Å; L55-Y129 HydrophobicContact CD2-CD1 3.39Å; L55-Y129 HydrophobicContact CD2-CE1 3.63Å; L55-Y129 HydrophobicContact CD2-CG 4.33Å
56L94.7Very high89.4Confident0 Ų041.6 Ų41.60%023%0.229CC..EExtended strand (participates in β ladder)trans-103.8121.5171.2-167.164.7000108.4F58 I85 Y88 V97 F98 V99 V127 C128 A130L56-F58 HydrophobicContact CB-CE2 4.18Å; L56-F58 HydrophobicContact CD2-CE1 4.18Å; L56-F58 HydrophobicContact CD2-CE2 3.54Å; L56-F58 HydrophobicContact CD2-CZ 3.21Å; L56-F58 HydrophobicContact CG-CD2 4.38Å; L56-F58 HydrophobicContact CG-CE1 4.38Å; L56-F58 HydrophobicContact CG-CE2 3.6Å; L56-F58 HydrophobicContact CG-CZ 3.61Å; L56-I85 HydrophobicContact CD1-CD1 3.88Å; L56-Y88 HydrophobicContact CD2-CE2 3.75Å; L56-V97 HydrophobicContact CD1-CG1 3.51Å; L56-V97 HydrophobicContact CG-CG1 3.96Å; L56-F98 WeakPolarHBondContact CA-O 3.34Å; L56-V99 HydrophobicContact CD1-CG2 3.54Å; L56-V127 WeakPolarHBondContact O-CA 3.43Å; L56-C128 PolarHBondContact N-O 3.06Å; L56-C128 PolarHBondContact O-N 3.49Å; L56-A130 HydrophobicContact CB-CB 4.1Å
57I95.4Very high90.9Very high1 Ų141.5 Ų41.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-111.5121.2-177.7-55-169.6000108.9V60 L69 V97 F98 I100 L115 L125 V127I57-V60 HydrophobicContact CG2-CG2 3.78Å; I57-L69 HydrophobicContact CD1-CD1 4.22Å; I57-V97 WeakPolarHBondContact O-CA 3.28Å; I57-F98 PolarHBondContact N-O 2.82Å; I57-F98 PolarHBondContact O-N 3.38Å; I57-I100 HydrophobicContact CD1-CD1 3.4Å; I57-I100 HydrophobicContact CD1-CG1 4.1Å; I57-I100 HydrophobicContact CG1-CD1 4.32Å; I57-L115 HydrophobicContact CD1-CD1 4.46Å; I57-L125 HydrophobicContact CG2-CB 4.49Å; I57-L125 HydrophobicContact CG2-CD1 4.24Å; I57-L125 HydrophobicContact CG2-CD2 4Å; I57-L125 HydrophobicContact CG2-CG 4.48Å; I57-V127 HydrophobicContact CG1-CG1 4.3Å; I57-V127 HydrophobicContact CG1-CG2 4.24Å; I57-V127 HydrophobicContact CG2-CG2 4.4Å
58F94.4Very high92Very high29 Ų2939.9 Ų39.913%0.12722%0.221CC..EExtended strand (participates in β ladder)trans-106.7160.4174.8-59.3-88.5000110.8H13 L56 Y88 V97 L125 H126H13-F58 HydrophobicContact CB-CE2 4.3Å; H13-F58 HydrophobicContact CB-CZ 3.99Å; L56-F58 HydrophobicContact CB-CE2 4.18Å; L56-F58 HydrophobicContact CD2-CE1 4.18Å; L56-F58 HydrophobicContact CD2-CE2 3.54Å; L56-F58 HydrophobicContact CD2-CZ 3.21Å; L56-F58 HydrophobicContact CG-CD2 4.38Å; L56-F58 HydrophobicContact CG-CE1 4.38Å; L56-F58 HydrophobicContact CG-CE2 3.6Å; L56-F58 HydrophobicContact CG-CZ 3.61Å; F58-Y88 AromaticContact CE1-CD1 3.88Å; F58-Y88 HydrophobicContact CE1-CD1 3.88Å; F58-Y88 AromaticContact CE1-CE1 3.43Å; F58-Y88 HydrophobicContact CE1-CE1 3.43Å; F58-Y88 VanDerWaalsContact CE1-CE1 3.43Å; F58-Y88 HydrophobicContact CE1-CE2 4.33Å; F58-Y88 AromaticContact CE1-CZ 3.68Å; F58-Y88 AromaticContact CZ-CE1 3.9Å; F58-Y88 HydrophobicContact CZ-CE1 3.9Å; F58-Y88 HydrophobicContact CZ-CE2 4.32Å; F58-Y88 AromaticContact CZ-CZ 3.68Å; F58-V97 HydrophobicContact CD1-CB 4.4Å; F58-V97 HydrophobicContact CD1-CG1 3.92Å; F58-V97 HydrophobicContact CD1-CG2 3.6Å; F58-V97 HydrophobicContact CE1-CG1 3.79Å; F58-V97 HydrophobicContact CE1-CG2 3.91Å; F58-V97 HydrophobicContact CZ-CG1 4.39Å; F58-L125 WeakPolarHBondContact O-CA 3.39Å; F58-H126 HydrophobicContact CB-CB 4.15Å; F58-H126 AromaticContact CD2-CD2 3.42Å; F58-H126 VanDerWaalsContact CD2-CD2 3.42Å; F58-H126 WeakPolarHBondContact CD2-CD2 3.27Å; F58-H126 WeakPolarHBondContact CD2-O 3.44Å; F58-H126 PolarHBondContact N-O 3.26Å; F58-H126 PolarHBondContact O-N 2.75Å; F58-H126 VanDerWaalsContact O-N 3.11Å
59G93.6Very high92.9Very high5 Ų537.8 Ų37.85%0.05221%0.208CC..EExtended strand (participates in β ladder)trans80.717.2174.100000114.1P61G59-P61 WeakPolarHBondContact O-CD 3.48Å
60V95.2Very high93.6Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-77.3121.2173.1-179.80000107.9I57 S62 L65 L69 T95 D96 F98 F120 L125I57-V60 HydrophobicContact CG2-CG2 3.78Å; V60-S62 PolarHBondContact O-N 3.25Å; V60-L65 HydrophobicContact CG1-CB 4.37Å; V60-L69 HydrophobicContact CG2-CD1 4.32Å; V60-L69 HydrophobicContact CG2-CD2 3.97Å; V60-T95 CarbonylContact O-C 3.51Å; V60-T95 WeakPolarHBondContact O-CA 3.3Å; V60-D96 PolarHBondContact N-O 3.1Å; V60-D96 PolarHBondContact O-N 2.76Å; V60-F98 HydrophobicContact CB-CD2 3.95Å; V60-F98 HydrophobicContact CB-CE2 3.92Å; V60-F98 HydrophobicContact CG1-CD2 4.07Å; V60-F98 HydrophobicContact CG1-CE2 3.62Å; V60-F98 HydrophobicContact CG2-CD2 3.83Å; V60-F98 HydrophobicContact CG2-CE2 4.26Å; V60-F120 HydrophobicContact CG1-CD1 4.27Å; V60-F120 HydrophobicContact CG1-CE1 3.86Å; V60-L125 HydrophobicContact CG2-CD2 3.83Å
61P95.5Very high94.2Very high21 Ų2141.7 Ų41.714%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-57.2138.8179.4-25.735000112.2G59 L63 L65G59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-L63 HydrophobicContact CB-CD1 4.27Å; P61-L63 HydrophobicContact CB-CG 4.25Å; P61-L63 PolarHBondContact O-N 3.34Å; P61-L65 HydrophobicContact CB-CD1 4.18Å; P61-L65 HydrophobicContact CG-CD1 4.34Å
62S92Very high94.5Very high49 Ų4944.5 Ų44.534%0.34322%0.224SC..THydrogen-bonded Turntrans-73.157.3178.4-62.40000112.7V60 F94 T95 D96V60-S62 PolarHBondContact O-N 3.25Å; S62-F94 WeakPolarHBondContact CB-O 3.21Å; S62-F94 PolarHBondContact N-O 3.24Å; S62-F94 VanDerWaalsContact OG-C 3.25Å; S62-F94 PolarHBondContact OG-O 3.21Å; S62-T95 PolarHBondContact OG-N 2.74Å; S62-D96 WeakPolarHBondContact CA-OD2 3.35Å; S62-D96 PolarHBondContact OG-OD1 3.03Å; S62-D96 PolarHBondContact OG-OD2 2.6Å
63L91.7Very high94.7Very high123 Ų12344.5 Ų44.564%0.64422%0.224SC*.THydrogen-bonded Turntrans-11524.1176.2-58.3175.2000111.2P61 L65P61-L63 HydrophobicContact CB-CD1 4.27Å; P61-L63 HydrophobicContact CB-CG 4.25Å; P61-L63 PolarHBondContact O-N 3.34Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 HydrophobicContact CB-CD1 4.19Å; L63-L65 HydrophobicContact CB-CD2 4.22Å; L63-L65 HydrophobicContact CB-CG 3.92Å; L63-L65 PolarHBondContact O-N 2.88Å
64D90.8Very high94.8Very high122 Ų12248.9 Ų48.965%0.65224%0.24SC*.THydrogen-bonded Turntrans51.147.3-177-64.1-39000114E66 K84D64-E66 PolarHBondContact O-N 3.25Å; D64-E66 VanDerWaalsContact O-N 3.08Å; D64-K84 IonicContact OD1-NZ 2.96Å; D64-K84 PolarHBondContact OD1-NZ 3.04Å
65L92.5Very high94.8Very high16 Ų1654.6 Ų54.68%0.08427%0.267CS..THydrogen-bonded Turntrans-8330.7-177.2-58.6172.7000113.9V60 P61 L63 H67 P68 L69 F120 Y121V60-L65 HydrophobicContact CG1-CB 4.37Å; P61-L65 HydrophobicContact CB-CD1 4.18Å; P61-L65 HydrophobicContact CG-CD1 4.34Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 HydrophobicContact CB-CD1 4.19Å; L63-L65 HydrophobicContact CB-CD2 4.22Å; L63-L65 HydrophobicContact CB-CG 3.92Å; L63-L65 PolarHBondContact O-N 2.88Å; L65-H67 PolarHBondContact O-N 3.14Å; L65-P68 HydrophobicContact CD2-CG 4.28Å; L65-P68 WeakPolarHBondContact O-CD 3.49Å; L65-L69 WeakPolarHBondContact O-CB 3.35Å; L65-L69 PolarHBondContact O-N 2.83Å; L65-F120 HydrophobicContact CB-CE1 3.87Å; L65-F120 HydrophobicContact CB-CZ 4.1Å; L65-F120 HydrophobicContact CD1-CD1 4.48Å; L65-F120 HydrophobicContact CD1-CE1 3.77Å; L65-F120 HydrophobicContact CD1-CZ 4.49Å; L65-F120 HydrophobicContact CG-CE1 4.47Å; L65-Y121 HydrophobicContact CD1-CD1 3.97Å; L65-Y121 HydrophobicContact CD1-CD2 3.7Å; L65-Y121 HydrophobicContact CD1-CE2 4.27Å; L65-Y121 HydrophobicContact CD1-CG 3.52Å; L65-Y121 HydrophobicContact CD2-CD1 4.09Å; L65-Y121 HydrophobicContact CD2-CD2 4.42Å; L65-Y121 HydrophobicContact CD2-CE1 3.87Å; L65-Y121 HydrophobicContact CD2-CE2 4.21Å; L65-Y121 HydrophobicContact CD2-CG 4.36Å
66E93.7Very high94.7Very high88 Ų8856 Ų5641%0.41127%0.272SS..Hα-helixtrans-60.8-45-178.6-176.4-178.9156.200111.9D64 L69 K70 V82 F98D64-E66 PolarHBondContact O-N 3.25Å; D64-E66 VanDerWaalsContact O-N 3.08Å; E66-L69 PolarHBondContact O-N 3.48Å; E66-K70 WeakPolarHBondContact O-CB 3.44Å; E66-K70 PolarHBondContact O-N 2.83Å; E66-V82 HydrophobicContact CG-CG1 4.16Å; E66-F98 HydrophobicContact CB-CE1 3.89Å; E66-F98 HydrophobicContact CB-CZ 4.26Å; E66-F98 HydrophobicContact CG-CE1 3.89Å
67H95.9Very high94.7Very high137 Ų13757.2 Ų57.263%0.63428%0.284SS*.Hα-helixtrans-67.9-49.5-178-169.7-72000112.4L65 L69 K70 E71L65-H67 PolarHBondContact O-N 3.14Å; H67-L69 VanDerWaalsContact C-N 3.29Å; H67-L69 PolarHBondContact O-N 2.86Å; H67-K70 PolarHBondContact O-N 2.87Å; H67-E71 PolarHBondContact O-N 2.78Å
68P96.1Very high94.7Very high33 Ų3362.1 Ų62.121%0.21431%0.31CS..Hα-helixtrans-58.5-37.8172.4-25.134.1000113.6L65 E71 R72 F120 Y121L65-P68 HydrophobicContact CD2-CG 4.28Å; L65-P68 WeakPolarHBondContact O-CD 3.49Å; P68-E71 PolarHBondContact O-N 2.94Å; P68-R72 WeakPolarHBondContact O-CB 3.22Å; P68-R72 PolarHBondContact O-N 2.87Å; P68-F120 HydrophobicContact CB-CE2 4.46Å; P68-F120 HydrophobicContact CB-CZ 4.12Å; P68-Y121 HydrophobicContact CB-CE2 3.69Å; P68-Y121 WeakPolarHBondContact CB-OH 3.5Å; P68-Y121 HydrophobicContact CG-CE2 4.31Å; P68-Y121 WeakPolarHBondContact CG-OH 3.39Å
69L96Very high94.8Very high0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-64.6-44.4176.8-178.365.5000111.2I57 V60 L65 E66 H67 E71 R72 C73 F98 I100 F120I57-L69 HydrophobicContact CD1-CD1 4.22Å; V60-L69 HydrophobicContact CG2-CD1 4.32Å; V60-L69 HydrophobicContact CG2-CD2 3.97Å; L65-L69 WeakPolarHBondContact O-CB 3.35Å; L65-L69 PolarHBondContact O-N 2.83Å; E66-L69 PolarHBondContact O-N 3.48Å; H67-L69 VanDerWaalsContact C-N 3.29Å; H67-L69 PolarHBondContact O-N 2.86Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-E71 PolarHBondContact O-N 3.11Å; L69-R72 PolarHBondContact O-N 2.96Å; L69-C73 WeakPolarHBondContact O-CB 3.28Å; L69-C73 PolarHBondContact O-N 2.82Å; L69-C73 PolarHBondContact O-SG 3.31Å; L69-F98 HydrophobicContact CD2-CB 3.72Å; L69-F98 HydrophobicContact CD2-CD1 3.93Å; L69-F98 HydrophobicContact CD2-CD2 3.6Å; L69-F98 HydrophobicContact CD2-CE1 4.43Å; L69-F98 HydrophobicContact CD2-CE2 4.15Å; L69-F98 HydrophobicContact CD2-CG 3.47Å; L69-F98 VanDerWaalsContact CD2-CG 3.47Å; L69-I100 HydrophobicContact CD2-CD1 4.31Å; L69-I100 HydrophobicContact CG-CD1 4.24Å; L69-F120 HydrophobicContact CB-CE2 4.5Å; L69-F120 HydrophobicContact CB-CZ 3.92Å; L69-F120 HydrophobicContact CD1-CE2 4.39Å; L69-F120 HydrophobicContact CD1-CZ 4.27Å
70K96.1Very high94.9Very high78 Ų7866.4 Ų66.434%0.33933%0.33SS..Hα-helixtrans-60.7-43.3175.9-175.8176.5-175.8176.80111.5E66 H67 C73 K74 V82E66-K70 WeakPolarHBondContact O-CB 3.44Å; E66-K70 PolarHBondContact O-N 2.83Å; H67-K70 PolarHBondContact O-N 2.87Å; K70-C73 PolarHBondContact O-N 3.14Å; K70-K74 WeakPolarHBondContact O-CG 3.15Å; K70-K74 PolarHBondContact O-N 3.18Å; K70-V82 HydrophobicContact CB-CG2 4.06Å; K70-V82 HydrophobicContact CD-CG2 4.37Å; K70-V82 HydrophobicContact CG-CG2 3.92Å
71E96.6Very high94.9Very high116 Ų11667.9 Ų67.954%0.54234%0.341SS..Hα-helixtrans-62.6-45.2176.3-172.4175179.200111.8H67 P68 L69 C73 K74H67-E71 PolarHBondContact O-N 2.78Å; P68-E71 PolarHBondContact O-N 2.94Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-E71 PolarHBondContact O-N 3.11Å; E71-C73 VanDerWaalsContact C-N 3.28Å; E71-C73 PolarHBondContact O-N 2.88Å; E71-K74 WeakPolarHBondContact O-CB 3.22Å; E71-K74 PolarHBondContact O-N 3.24Å
72R95.6Very high94.9Very high88 Ų8867.6 Ų67.633%0.33234%0.339SS..Hα-helixtrans-58.8-41.5174.4-174.756.3167.4-171.7-10.2111.7P68 L69 Q75 Y76 L115 F120P68-R72 WeakPolarHBondContact O-CB 3.22Å; P68-R72 PolarHBondContact O-N 2.87Å; L69-R72 PolarHBondContact O-N 2.96Å; R72-Q75 WeakPolarHBondContact O-CB 3.24Å; R72-Q75 PolarHBondContact O-N 3.03Å; R72-Y76 WeakPolarHBondContact O-CD2 3.32Å; R72-Y76 VanDerWaalsContact O-CE2 3.26Å; R72-Y76 WeakPolarHBondContact O-CE2 3.38Å; R72-L115 HydrophobicContact CG-CD2 3.99Å; R72-F120 HydrophobicContact CB-CE2 4.42Å
73C96.3Very high95Very high0 Ų067.7 Ų67.70%034%0.337CS..Hα-helixtrans-70.1-32.3-179.8-69.10000113.4L69 K70 E71 Q75 Y76 V79 I100 Y102L69-C73 WeakPolarHBondContact O-CB 3.28Å; L69-C73 PolarHBondContact O-N 2.82Å; L69-C73 PolarHBondContact O-SG 3.31Å; K70-C73 PolarHBondContact O-N 3.14Å; E71-C73 VanDerWaalsContact C-N 3.28Å; E71-C73 PolarHBondContact O-N 2.88Å; C73-Q75 PolarHBondContact O-N 2.95Å; C73-Y76 PolarHBondContact O-N 3.14Å; C73-V79 HydrophobicContact CB-CG2 3.87Å; C73-I100 HydrophobicContact CB-CD1 4.07Å; C73-I100 WeakPolarHBondContact SG-CD1 3.41Å; C73-Y102 WeakPolarHBondContact CA-OH 3.33Å; C73-Y102 VanDerWaalsContact CB-OH 3.3Å; C73-Y102 WeakPolarHBondContact CB-OH 3.45Å; C73-Y102 WeakPolarHBondContact O-CE1 3.31Å; C73-Y102 PolarHBondContact O-OH 3.01Å
74K96.5Very high95Very high118 Ų11864.9 Ų64.951%0.51332%0.32SS..Hα-helixtrans-62.3-27.3175.5-77.2173.7177-178.20113.3K70 E71 Y76 G77 V79K70-K74 WeakPolarHBondContact O-CG 3.15Å; K70-K74 PolarHBondContact O-N 3.18Å; E71-K74 WeakPolarHBondContact O-CB 3.22Å; E71-K74 PolarHBondContact O-N 3.24Å; K74-Y76 PolarHBondContact O-N 3.32Å; K74-Y76 VanDerWaalsContact O-N 3.14Å; K74-G77 WeakPolarHBondContact CA-O 3.48Å; K74-G77 PolarHBondContact O-N 3.37Å; K74-V79 HydrophobicContact CG-CB 4.48Å; K74-V79 HydrophobicContact CG-CG2 4.14Å
75Q96Very high95Very high121 Ų12159.1 Ų59.157%0.56529%0.289SS*.THydrogen-bonded Turntrans-60.8-23177.8-62.7176.3-0.900112.8R72 C73R72-Q75 WeakPolarHBondContact O-CB 3.24Å; R72-Q75 PolarHBondContact O-N 3.03Å; C73-Q75 PolarHBondContact O-N 2.95Å
76Y94.3Very high94.7Very high32 Ų3264.2 Ų64.213%0.12532%0.315CS..THydrogen-bonded Turntrans-98.8-12.1-178.6-54.5-75.7000113.6R72 C73 K74 Y110 A111 L114 L115R72-Y76 WeakPolarHBondContact O-CD2 3.32Å; R72-Y76 VanDerWaalsContact O-CE2 3.26Å; R72-Y76 WeakPolarHBondContact O-CE2 3.38Å; C73-Y76 PolarHBondContact O-N 3.14Å; K74-Y76 PolarHBondContact O-N 3.32Å; K74-Y76 VanDerWaalsContact O-N 3.14Å; Y76-Y110 AromaticContact CD1-CD1 3.58Å; Y76-Y110 HydrophobicContact CD1-CD1 3.58Å; Y76-Y110 AromaticContact CD1-CE1 3.65Å; Y76-Y110 HydrophobicContact CD1-CE1 3.65Å; Y76-Y110 HydrophobicContact CE1-CE1 4.32Å; Y76-Y110 HydrophobicContact CG-CD1 4.31Å; Y76-A111 HydrophobicContact CD2-CB 4.26Å; Y76-A111 HydrophobicContact CG-CB 4.05Å; Y76-L114 HydrophobicContact CD1-CB 4.26Å; Y76-L114 HydrophobicContact CD1-CD2 4.34Å; Y76-L114 HydrophobicContact CE1-CB 3.52Å; Y76-L114 HydrophobicContact CE1-CD2 3.71Å; Y76-L114 HydrophobicContact CE1-CG 4.19Å; Y76-L115 HydrophobicContact CD2-CD1 4.09Å; Y76-L115 HydrophobicContact CD2-CD2 4.41Å; Y76-L115 HydrophobicContact CD2-CG 4.15Å; Y76-L115 HydrophobicContact CE2-CD1 3.96Å; Y76-L115 HydrophobicContact CE2-CD2 3.48Å; Y76-L115 VanDerWaalsContact CE2-CD2 3.48Å; Y76-L115 HydrophobicContact CE2-CG 3.59Å
77G94.4Very high94.3Very high24 Ų2465.9 Ų65.925%0.24733%0.327CS..SBendtrans154.4179.3178.200000113.3K74 V79K74-G77 WeakPolarHBondContact CA-O 3.48Å; K74-G77 PolarHBondContact O-N 3.37Å; G77-V79 PolarHBondContact O-N 3.09Å
78N96.4Very high93.9Very high104 Ų10460.2 Ų60.256%0.55630%0.3SS*.  trans-71119.8-176.8-165.9-1.3000111.6N103N78-N103 HydrophobicContact CB-CB 4.43Å; N78-N103 PolarHBondContact ND2-ND2 3.38Å; N78-N103 PolarHBondContact O-N 3.49Å
79V96.4Very high93.4Very high13 Ų1360 Ų608%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-95.7122.2-178.3179.50000109.2C73 K74 G77 V82 I100 Y102C73-V79 HydrophobicContact CB-CG2 3.87Å; K74-V79 HydrophobicContact CG-CB 4.48Å; K74-V79 HydrophobicContact CG-CG2 4.14Å; G77-V79 PolarHBondContact O-N 3.09Å; V79-V82 HydrophobicContact CG1-CG2 3.69Å; V79-I100 HydrophobicContact CG1-CG2 3.81Å; V79-Y102 HydrophobicContact CG2-CD1 4.12Å; V79-Y102 HydrophobicContact CG2-CE1 3.62Å
80Q95.4Very high92.8Very high111 Ų11166.9 Ų66.952%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-78.2-48.4178.3-160.3172.516.700112K101 N103Q80-K101 HydrophobicContact CB-CB 4.28Å; Q80-K101 HydrophobicContact CB-CD 4.22Å; Q80-K101 HydrophobicContact CB-CG 4.21Å; Q80-K101 WeakPolarHBondContact CB-O 3.47Å; Q80-K101 HydrophobicContact CG-CD 4.47Å; Q80-K101 PolarHBondContact N-O 3.16Å; Q80-N103 VanDerWaalsContact CB-OD1 3.27Å; Q80-N103 WeakPolarHBondContact CB-OD1 3.42Å
81S94.7Very high92.3Very high32 Ų3266.9 Ų66.922%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-151.5148.7-17863.40000111.6I100 K101S81-I100 WeakPolarHBondContact O-CA 3.49Å; S81-K101 PolarHBondContact N-O 3.23Å; S81-K101 PolarHBondContact O-N 3.02Å; S81-K101 WeakPolarHBondContact OG-CB 3.31Å
82V95.2Very high91.9Very high15 Ų1567.3 Ų67.39%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-127.7128.3169.7179.20000105.9E66 K70 V79 F98 V99 I100E66-V82 HydrophobicContact CG-CG1 4.16Å; K70-V82 HydrophobicContact CB-CG2 4.06Å; K70-V82 HydrophobicContact CD-CG2 4.37Å; K70-V82 HydrophobicContact CG-CG2 3.92Å; V79-V82 HydrophobicContact CG1-CG2 3.69Å; V82-F98 HydrophobicContact CG1-CD1 3.88Å; V82-V99 WeakPolarHBondContact CA-O 3.37Å; V82-I100 HydrophobicContact CG1-CD1 4.41Å; V82-I100 HydrophobicContact CG1-CG1 4.21Å; V82-I100 HydrophobicContact CG2-CD1 4.23Å; V82-I100 HydrophobicContact CG2-CG1 4.16Å; V82-I100 HydrophobicContact CG2-CG2 4.31Å
83V93.6Very high91.7Very high51 Ų5168.4 Ų68.431%0.30935%0.354SS..EExtended strand (participates in β ladder)trans-136.8126.7-178.5-177.40000108.9F3 F98 V99F3-V83 HydrophobicContact CE2-CB 4.13Å; F3-V83 HydrophobicContact CE2-CG1 4.05Å; F3-V83 HydrophobicContact CE2-CG2 4.28Å; V83-F98 WeakPolarHBondContact O-CA 3.4Å; V83-V99 PolarHBondContact N-O 3.28Å; V83-V99 PolarHBondContact O-N 3.03Å
84K93.1Very high91.5Very high64 Ų6476.8 Ų76.828%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-75.4127.2171.3-175.5170.2166.2163.50109.6D64 D96 F98D64-K84 IonicContact OD1-NZ 2.96Å; D64-K84 PolarHBondContact OD1-NZ 3.04Å; K84-D96 WeakPolarHBondContact CE-OD2 3.27Å; K84-D96 IonicContact NZ-OD1 3.72Å; K84-D96 IonicContact NZ-OD2 2.67Å; K84-D96 PolarHBondContact NZ-OD2 2.97Å; K84-F98 HydrophobicContact CB-CD1 3.96Å; K84-F98 HydrophobicContact CB-CE1 3.58Å; K84-F98 HydrophobicContact CB-CZ 4.08Å; K84-F98 HydrophobicContact CD-CE1 4.32Å; K84-F98 HydrophobicContact CD-CZ 4Å; K84-F98 HydrophobicContact CG-CE1 4.07Å; K84-F98 HydrophobicContact CG-CZ 4.04Å
85I90.6Very high91.4Very high0 Ų072.1 Ų72.10%037%0.372CS..EExtended strand (participates in β ladder)trans-89.4123.7169.9-61.6175.9000108Q6 L56 Y88 V97 V99 Y133Q6-I85 HydrophobicContact CG-CG2 4.18Å; L56-I85 HydrophobicContact CD1-CD1 3.88Å; I85-Y88 HydrophobicContact CD1-CD2 4.17Å; I85-Y88 HydrophobicContact CG2-CD2 4.37Å; I85-V97 PolarHBondContact N-O 3.47Å; I85-V99 HydrophobicContact CD1-CG2 3.34Å; I85-V99 HydrophobicContact CG1-CG2 3.9Å; I85-Y133 HydrophobicContact CD1-CE1 4.23Å; I85-Y133 VanDerWaalsContact CD1-OH 3.24Å; I85-Y133 WeakPolarHBondContact CD1-OH 3.34Å
86I86.9Confident91.3Very high123 Ų12366.6 Ų66.663%0.63135%0.346SS*.SBendtrans-80-54.5-180-56.6171.9000109.6Y88I86-Y88 PolarHBondContact O-N 3.1Å
87D85Confident91.3Very high124 Ų12465.1 Ų65.166%0.66334%0.341SS*.SBendtrans-10464.1-171.8-59.5-37.3000112.2
88Y87.8Confident91.3Very high18 Ų1864 Ų647%0.07133%0.329CS..  trans-86.3133.5174.9-168.8-87.9000111.3H13 L56 F58 I85 I86 N90 K91 V97H13-Y88 WeakPolarHBondContact CB-OH 3.44Å; H13-Y88 AromaticContact ND1-CZ 3.88Å; H13-Y88 PolarHBondContact ND1-OH 3.04Å; L56-Y88 HydrophobicContact CD2-CE2 3.75Å; F58-Y88 AromaticContact CE1-CD1 3.88Å; F58-Y88 HydrophobicContact CE1-CD1 3.88Å; F58-Y88 AromaticContact CE1-CE1 3.43Å; F58-Y88 HydrophobicContact CE1-CE1 3.43Å; F58-Y88 VanDerWaalsContact CE1-CE1 3.43Å; F58-Y88 HydrophobicContact CE1-CE2 4.33Å; F58-Y88 AromaticContact CE1-CZ 3.68Å; F58-Y88 AromaticContact CZ-CE1 3.9Å; F58-Y88 HydrophobicContact CZ-CE1 3.9Å; F58-Y88 HydrophobicContact CZ-CE2 4.32Å; F58-Y88 AromaticContact CZ-CZ 3.68Å; I85-Y88 HydrophobicContact CD1-CD2 4.17Å; I85-Y88 HydrophobicContact CG2-CD2 4.37Å; I86-Y88 PolarHBondContact O-N 3.1Å; Y88-N90 PolarHBondContact O-N 3.49Å; Y88-K91 PolarHBondContact O-N 3.11Å; Y88-V97 HydrophobicContact CD1-CG2 4.24Å; Y88-V97 HydrophobicContact CD2-CG1 4.18Å; Y88-V97 HydrophobicContact CG-CB 4.37Å; Y88-V97 HydrophobicContact CG-CG1 4.22Å; Y88-V97 HydrophobicContact CG-CG2 4.15Å
89P85.1Confident91.2Very high29 Ų2959.1 Ų59.119%0.18830%0.303CS..THydrogen-bonded Turntrans-64.2132.5-179.425.6-34.6000112.1Q6 H9 K91Q6-P89 WeakPolarHBondContact O-CD 3.5Å; H9-P89 HydrophobicContact CB-CB 4.24Å; H9-P89 HydrophobicContact CB-CG 4.05Å; P89-K91 VanDerWaalsContact C-N 3.3Å; P89-K91 PolarHBondContact O-N 3Å
90N81.8Confident91.2Very high143 Ų14358.5 Ų58.577%0.76530%0.299SS*.THydrogen-bonded Turntrans57.337.9-179.9-53.3-35.4000113.8Y88 E92Y88-N90 PolarHBondContact O-N 3.49Å; N90-E92 PolarHBondContact O-N 3.18Å
91K85.8Confident91.2Very high79 Ų7954 Ų5434%0.34328%0.278SS..PPolyproline II helixtrans-55.6134171.2180-178.1175.7179.10110.6Y88 P89 T95 D96 V97Y88-K91 PolarHBondContact O-N 3.11Å; P89-K91 VanDerWaalsContact C-N 3.3Å; P89-K91 PolarHBondContact O-N 3Å; K91-T95 WeakPolarHBondContact CE-O 3.27Å; K91-T95 WeakPolarHBondContact CG-O 3.47Å; K91-D96 WeakPolarHBondContact CE-OD1 3.42Å; K91-D96 IonicContact NZ-OD1 2.67Å; K91-D96 PolarHBondContact NZ-OD1 3.16Å; K91-V97 HydrophobicContact CG-CG2 4.43Å
92E89.5Confident91.3Very high124 Ų12452.5 Ų52.558%0.57927%0.267SS*.PPolyproline II helixtrans-68.9147.5175.1170.2-179.2-142.300110.6N90 T95N90-E92 PolarHBondContact O-N 3.18Å; E92-T95 VanDerWaalsContact CB-OG1 3.29Å; E92-T95 WeakPolarHBondContact CB-OG1 3.4Å; E92-T95 HydrophobicContact CG-CG2 4.14Å; E92-T95 PolarHBondContact O-N 3Å; E92-T95 PolarHBondContact O-OG1 2.67Å; E92-T95 PolarHBondContact OE2-OG1 3.1Å
93T91.6Very high91.2Very high111 Ų11155.1 Ų55.168%0.68128%0.281SS*.THydrogen-bonded Turntrans-66.1137.3-17647.60000110.9T95T93-T95 PolarHBondContact O-N 3.27Å; T93-T95 VanDerWaalsContact O-N 3.11Å
94F92Very high91.1Very high177 Ų17757.6 Ų57.678%0.77629%0.292SS*.THydrogen-bonded Turntrans6014.7-179.7-45.2-74.3000115.7S62S62-F94 WeakPolarHBondContact CB-O 3.21Å; S62-F94 PolarHBondContact N-O 3.24Å; S62-F94 VanDerWaalsContact OG-C 3.25Å; S62-F94 PolarHBondContact OG-O 3.21Å
95T94.4Very high91.1Very high20 Ų2055.4 Ų55.412%0.12328%0.284CS..EExtended strand (participates in β ladder)trans-123.8141.4174.469.20000111V60 S62 K91 E92 T93V60-T95 CarbonylContact O-C 3.51Å; V60-T95 WeakPolarHBondContact O-CA 3.3Å; S62-T95 PolarHBondContact OG-N 2.74Å; K91-T95 WeakPolarHBondContact CE-O 3.27Å; K91-T95 WeakPolarHBondContact CG-O 3.47Å; E92-T95 VanDerWaalsContact CB-OG1 3.29Å; E92-T95 WeakPolarHBondContact CB-OG1 3.4Å; E92-T95 HydrophobicContact CG-CG2 4.14Å; E92-T95 PolarHBondContact O-N 3Å; E92-T95 PolarHBondContact O-OG1 2.67Å; E92-T95 PolarHBondContact OE2-OG1 3.1Å; T93-T95 PolarHBondContact O-N 3.27Å; T93-T95 VanDerWaalsContact O-N 3.11Å
96D93.3Very high91.1Very high4 Ų462.5 Ų62.52%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-98.4155.6177-69.8-30.2000112.4V60 S62 K84 K91 F98V60-D96 PolarHBondContact N-O 3.1Å; V60-D96 PolarHBondContact O-N 2.76Å; S62-D96 WeakPolarHBondContact CA-OD2 3.35Å; S62-D96 PolarHBondContact OG-OD1 3.03Å; S62-D96 PolarHBondContact OG-OD2 2.6Å; K84-D96 WeakPolarHBondContact CE-OD2 3.27Å; K84-D96 IonicContact NZ-OD1 3.72Å; K84-D96 IonicContact NZ-OD2 2.67Å; K84-D96 PolarHBondContact NZ-OD2 2.97Å; K91-D96 WeakPolarHBondContact CE-OD1 3.42Å; K91-D96 IonicContact NZ-OD1 2.67Å; K91-D96 PolarHBondContact NZ-OD1 3.16Å; D96-F98 HydrophobicContact CB-CD2 4.3Å; D96-F98 HydrophobicContact CB-CE2 3.69Å; D96-F98 HydrophobicContact CB-CZ 4.48Å
97V93.3Very high91.5Very high2 Ų257.2 Ų57.21%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-112.9129.6177.7-175.40000109.2L56 I57 F58 I85 Y88 K91L56-V97 HydrophobicContact CD1-CG1 3.51Å; L56-V97 HydrophobicContact CG-CG1 3.96Å; I57-V97 WeakPolarHBondContact O-CA 3.28Å; F58-V97 HydrophobicContact CD1-CB 4.4Å; F58-V97 HydrophobicContact CD1-CG1 3.92Å; F58-V97 HydrophobicContact CD1-CG2 3.6Å; F58-V97 HydrophobicContact CE1-CG1 3.79Å; F58-V97 HydrophobicContact CE1-CG2 3.91Å; F58-V97 HydrophobicContact CZ-CG1 4.39Å; I85-V97 PolarHBondContact N-O 3.47Å; Y88-V97 HydrophobicContact CD1-CG2 4.24Å; Y88-V97 HydrophobicContact CD2-CG1 4.18Å; Y88-V97 HydrophobicContact CG-CB 4.37Å; Y88-V97 HydrophobicContact CG-CG1 4.22Å; Y88-V97 HydrophobicContact CG-CG2 4.15Å; K91-V97 HydrophobicContact CG-CG2 4.43Å
98F94.7Very high92Very high1 Ų151.3 Ų51.30%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-120.5140.9-179.5-73.3-95.8000111.5L56 I57 V60 E66 L69 V82 V83 K84 D96L56-F98 WeakPolarHBondContact CA-O 3.34Å; I57-F98 PolarHBondContact N-O 2.82Å; I57-F98 PolarHBondContact O-N 3.38Å; V60-F98 HydrophobicContact CB-CD2 3.95Å; V60-F98 HydrophobicContact CB-CE2 3.92Å; V60-F98 HydrophobicContact CG1-CD2 4.07Å; V60-F98 HydrophobicContact CG1-CE2 3.62Å; V60-F98 HydrophobicContact CG2-CD2 3.83Å; V60-F98 HydrophobicContact CG2-CE2 4.26Å; E66-F98 HydrophobicContact CB-CE1 3.89Å; E66-F98 HydrophobicContact CB-CZ 4.26Å; E66-F98 HydrophobicContact CG-CE1 3.89Å; L69-F98 HydrophobicContact CD2-CB 3.72Å; L69-F98 HydrophobicContact CD2-CD1 3.93Å; L69-F98 HydrophobicContact CD2-CD2 3.6Å; L69-F98 HydrophobicContact CD2-CE1 4.43Å; L69-F98 HydrophobicContact CD2-CE2 4.15Å; L69-F98 HydrophobicContact CD2-CG 3.47Å; L69-F98 VanDerWaalsContact CD2-CG 3.47Å; V82-F98 HydrophobicContact CG1-CD1 3.88Å; V83-F98 WeakPolarHBondContact O-CA 3.4Å; K84-F98 HydrophobicContact CB-CD1 3.96Å; K84-F98 HydrophobicContact CB-CE1 3.58Å; K84-F98 HydrophobicContact CB-CZ 4.08Å; K84-F98 HydrophobicContact CD-CE1 4.32Å; K84-F98 HydrophobicContact CD-CZ 4Å; K84-F98 HydrophobicContact CG-CE1 4.07Å; K84-F98 HydrophobicContact CG-CZ 4.04Å; D96-F98 HydrophobicContact CB-CD2 4.3Å; D96-F98 HydrophobicContact CB-CE2 3.69Å; D96-F98 HydrophobicContact CB-CZ 4.48Å
99V94.7Very high92.3Very high1 Ų154.4 Ų54.41%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-102.6126.4167.2177.10000108.9F3 Y54 L55 L56 V82 V83 I85 Y133F3-V99 HydrophobicContact CZ-CG1 4.3Å; Y54-V99 HydrophobicContact CD1-CG1 3.92Å; L55-V99 CarbonylContact O-C 3.54Å; L55-V99 WeakPolarHBondContact O-CA 3.43Å; L56-V99 HydrophobicContact CD1-CG2 3.54Å; V82-V99 WeakPolarHBondContact CA-O 3.37Å; V83-V99 PolarHBondContact N-O 3.28Å; V83-V99 PolarHBondContact O-N 3.03Å; I85-V99 HydrophobicContact CD1-CG2 3.34Å; I85-V99 HydrophobicContact CG1-CG2 3.9Å; V99-Y133 HydrophobicContact CG1-CD1 4.1Å; V99-Y133 HydrophobicContact CG1-CG 4.48Å; V99-Y133 HydrophobicContact CG2-CD1 4.11Å; V99-Y133 HydrophobicContact CG2-CE1 3.76Å
100I95.7Very high92.7Very high0 Ų058 Ų580%028%0.28CS..EExtended strand (participates in β ladder)trans-119.8130.6179.4-57.4-166.1000109Y54 L55 I57 L69 C73 V79 S81 V82 Y102Y54-I100 CarbonylContact C-O 3.37Å; Y54-I100 VanDerWaalsContact CA-O 3.31Å; Y54-I100 WeakPolarHBondContact CA-O 3.36Å; L55-I100 PolarHBondContact N-O 3.15Å; L55-I100 PolarHBondContact O-N 3.44Å; I57-I100 HydrophobicContact CD1-CD1 3.4Å; I57-I100 HydrophobicContact CD1-CG1 4.1Å; I57-I100 HydrophobicContact CG1-CD1 4.32Å; L69-I100 HydrophobicContact CD2-CD1 4.31Å; L69-I100 HydrophobicContact CG-CD1 4.24Å; C73-I100 HydrophobicContact CB-CD1 4.07Å; C73-I100 WeakPolarHBondContact SG-CD1 3.41Å; V79-I100 HydrophobicContact CG1-CG2 3.81Å; S81-I100 WeakPolarHBondContact O-CA 3.49Å; V82-I100 HydrophobicContact CG1-CD1 4.41Å; V82-I100 HydrophobicContact CG1-CG1 4.21Å; V82-I100 HydrophobicContact CG2-CD1 4.23Å; V82-I100 HydrophobicContact CG2-CG1 4.16Å; V82-I100 HydrophobicContact CG2-CG2 4.31Å; I100-Y102 HydrophobicContact CG2-CD2 4.17Å; I100-Y102 HydrophobicContact CG2-CE2 3.81Å
101K96.1Very high93.4Very high15 Ų1551.2 Ų51.27%0.06524%0.243CC..EExtended strand (participates in β ladder)trans-109.5124.2174.5-171-176.7-175.6-173.90109.9C53 Y54 Q80 S81 E138C53-K101 WeakPolarHBondContact O-CA 3.26Å; Y54-K101 HydrophobicContact CD1-CB 4.07Å; Y54-K101 HydrophobicContact CD1-CD 4.46Å; Y54-K101 HydrophobicContact CD1-CG 4.16Å; Y54-K101 HydrophobicContact CD2-CG 4.25Å; Y54-K101 HydrophobicContact CE1-CB 3.99Å; Y54-K101 HydrophobicContact CE1-CD 3.69Å; Y54-K101 HydrophobicContact CE1-CG 3.88Å; Y54-K101 HydrophobicContact CE2-CD 3.87Å; Y54-K101 HydrophobicContact CE2-CG 3.96Å; Y54-K101 HydrophobicContact CG-CG 4.37Å; Y54-K101 VanDerWaalsContact CZ-CE 3.4Å; Y54-K101 VanDerWaalsContact OH-CD 3.32Å; Y54-K101 WeakPolarHBondContact OH-CD 3.36Å; Y54-K101 WeakPolarHBondContact OH-CE 3.29Å; Y54-K101 PolarHBondContact OH-NZ 3.32Å; Y54-K101 VanDerWaalsContact OH-NZ 3.14Å; Q80-K101 HydrophobicContact CB-CB 4.28Å; Q80-K101 HydrophobicContact CB-CD 4.22Å; Q80-K101 HydrophobicContact CB-CG 4.21Å; Q80-K101 WeakPolarHBondContact CB-O 3.47Å; Q80-K101 HydrophobicContact CG-CD 4.47Å; Q80-K101 PolarHBondContact N-O 3.16Å; S81-K101 PolarHBondContact N-O 3.23Å; S81-K101 PolarHBondContact O-N 3.02Å; S81-K101 WeakPolarHBondContact OG-CB 3.31Å; K101-E138 VanDerWaalsContact CE-OE1 3.28Å; K101-E138 WeakPolarHBondContact CE-OE1 3.35Å; K101-E138 IonicContact NZ-OE1 3.55Å; K101-E138 PolarHBondContact NZ-OE1 2.72Å
102Y96.9Very high93.9Very high2 Ų249.1 Ų49.11%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-94.4152.2171.1-77.7-86.3000111.4C53 L55 C73 V79 I100 N104 A107 A108 A111C53-Y102 WeakPolarHBondContact CB-O 3.43Å; C53-Y102 PolarHBondContact O-N 2.91Å; L55-Y102 HydrophobicContact CD1-CD2 4.23Å; L55-Y102 HydrophobicContact CD1-CE2 3.82Å; C73-Y102 WeakPolarHBondContact CA-OH 3.33Å; C73-Y102 VanDerWaalsContact CB-OH 3.3Å; C73-Y102 WeakPolarHBondContact CB-OH 3.45Å; C73-Y102 WeakPolarHBondContact O-CE1 3.31Å; C73-Y102 PolarHBondContact O-OH 3.01Å; V79-Y102 HydrophobicContact CG2-CD1 4.12Å; V79-Y102 HydrophobicContact CG2-CE1 3.62Å; I100-Y102 HydrophobicContact CG2-CD2 4.17Å; I100-Y102 HydrophobicContact CG2-CE2 3.81Å; Y102-N104 VanDerWaalsContact C-N 3.33Å; Y102-A107 HydrophobicContact CD1-CB 3.79Å; Y102-A107 HydrophobicContact CE1-CB 4.39Å; Y102-A107 HydrophobicContact CG-CB 4.3Å; Y102-A108 HydrophobicContact CD2-CB 4.04Å; Y102-A108 HydrophobicContact CG-CB 4.34Å; Y102-A111 HydrophobicContact CE1-CB 4.4Å; Y102-A111 HydrophobicContact CE2-CB 3.7Å; Y102-A111 VanDerWaalsContact OH-CB 3.27Å; Y102-A111 WeakPolarHBondContact OH-CB 3.49Å
103N94Very high94Very high70 Ų7051.6 Ų51.637%0.37424%0.238SC..SBendtrans-70.1-32.6173.1-72.1-16.4000112.3N78 Q80N78-N103 HydrophobicContact CB-CB 4.43Å; N78-N103 PolarHBondContact ND2-ND2 3.38Å; N78-N103 PolarHBondContact O-N 3.49Å; Q80-N103 VanDerWaalsContact CB-OD1 3.27Å; Q80-N103 WeakPolarHBondContact CB-OD1 3.42Å
104N91.7Very high94Very high103 Ų10349.1 Ų49.155%0.55122%0.22SC*.SBendtrans-119.9132.8-174.7-68.9-41.1000111.1Y102 K106 A107 A108Y102-N104 VanDerWaalsContact C-N 3.33Å; N104-K106 PolarHBondContact O-N 2.9Å; N104-A107 HydrophobicContact CB-CB 4.19Å; N104-A107 WeakPolarHBondContact O-CB 3.48Å; N104-A107 PolarHBondContact O-N 2.88Å; N104-A108 PolarHBondContact O-N 2.94Å; N104-A108 VanDerWaalsContact O-N 3.16Å
105L91.3Very high94.2Very high18 Ų1840.7 Ų40.79%0.09418%0.183CC..Hα-helixtrans-58.9-35.6175.5-172.866.8000112.2E51 S52 C53 A107 A108 R109 K142E51-L105 HydrophobicContact CB-CD1 4.33Å; S52-L105 VanDerWaalsContact C-CD1 3.48Å; C53-L105 PolarHBondContact SG-N 3.48Å; L105-A107 VanDerWaalsContact C-N 3.32Å; L105-A107 PolarHBondContact O-N 2.86Å; L105-A108 PolarHBondContact O-N 3.16Å; L105-R109 WeakPolarHBondContact O-CG 3Å; L105-R109 PolarHBondContact O-N 2.74Å; L105-K142 HydrophobicContact CD1-CD 4.42Å; L105-K142 HydrophobicContact CD2-CD 4.34Å; L105-K142 HydrophobicContact CD2-CG 4.17Å
106K91.9Very high94.2Very high148 Ų14841.9 Ų41.964%0.64319%0.189SC*.Hα-helixtrans-62.1-38.6176.1-66.9179.1-175.1171.40112.4N104 R109 Y110N104-K106 PolarHBondContact O-N 2.9Å; K106-R109 PolarHBondContact O-N 3.02Å; K106-Y110 PolarHBondContact O-N 3.45Å
107A94.8Very high94.1Very high12 Ų1246.6 Ų46.610%0.09921%0.214CC..Hα-helixtrans-67.7-43.3176.700000110.5Y102 N104 L105 R109 Y110 A111Y102-A107 HydrophobicContact CD1-CB 3.79Å; Y102-A107 HydrophobicContact CE1-CB 4.39Å; Y102-A107 HydrophobicContact CG-CB 4.3Å; N104-A107 HydrophobicContact CB-CB 4.19Å; N104-A107 WeakPolarHBondContact O-CB 3.48Å; N104-A107 PolarHBondContact O-N 2.88Å; L105-A107 VanDerWaalsContact C-N 3.32Å; L105-A107 PolarHBondContact O-N 2.86Å; A107-R109 VanDerWaalsContact C-N 3.35Å; A107-R109 PolarHBondContact O-N 2.85Å; A107-Y110 PolarHBondContact O-N 3.09Å; A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.44Å; A107-A111 PolarHBondContact O-N 3.25Å
108A95.4Very high94.1Very high0 Ų047.5 Ų47.50%022%0.221CC..Hα-helixtrans-58.3-44.3174.300000112.2S52 L55 Y102 N104 L105 Y110 A111 K112S52-A108 WeakPolarHBondContact O-CB 3.44Å; L55-A108 HydrophobicContact CD2-CB 4.47Å; L55-A108 HydrophobicContact CG-CB 4.41Å; Y102-A108 HydrophobicContact CD2-CB 4.04Å; Y102-A108 HydrophobicContact CG-CB 4.34Å; N104-A108 PolarHBondContact O-N 2.94Å; N104-A108 VanDerWaalsContact O-N 3.16Å; L105-A108 PolarHBondContact O-N 3.16Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 3.28Å; A108-A111 PolarHBondContact O-N 3.23Å; A108-K112 WeakPolarHBondContact O-CB 3.47Å; A108-K112 PolarHBondContact O-N 3.21Å
109R93.5Very high94.1Very high83 Ų8352 Ų5231%0.31325%0.252SS..Hα-helixtrans-60-42.9175-70.5177.4-176.1155.65.5112.8E51 L105 K106 A107 R113 Y129E51-R109 IonicContact OE1-NE 2.94Å; E51-R109 PolarHBondContact OE1-NE 3.01Å; E51-R109 IonicContact OE2-CZ 2.61Å; E51-R109 IonicContact OE2-NE 3.98Å; E51-R109 PolarHBondContact OE2-NE 3.36Å; E51-R109 IonicContact OE2-NH2 3.85Å; E51-R109 PolarHBondContact OE2-NH2 3.3Å; L105-R109 WeakPolarHBondContact O-CG 3Å; L105-R109 PolarHBondContact O-N 2.74Å; K106-R109 PolarHBondContact O-N 3.02Å; A107-R109 VanDerWaalsContact C-N 3.35Å; A107-R109 PolarHBondContact O-N 2.85Å; R109-R113 WeakPolarHBondContact O-CB 3.49Å; R109-R113 PolarHBondContact O-N 3.43Å; R109-R113 VanDerWaalsContact O-N 3.11Å; R109-Y129 WeakPolarHBondContact CA-OH 3.31Å; R109-Y129 WeakPolarHBondContact CG-OH 3.31Å
110Y94.9Very high94.2Very high105 Ų10552.6 Ų52.641%0.41226%0.255SS..Hα-helixtrans-68.6-48.1-179.8-168.1-112.7000110.9Y76 K106 A107 A108 R113 L114Y76-Y110 AromaticContact CD1-CD1 3.58Å; Y76-Y110 HydrophobicContact CD1-CD1 3.58Å; Y76-Y110 AromaticContact CD1-CE1 3.65Å; Y76-Y110 HydrophobicContact CD1-CE1 3.65Å; Y76-Y110 HydrophobicContact CE1-CE1 4.32Å; Y76-Y110 HydrophobicContact CG-CD1 4.31Å; K106-Y110 PolarHBondContact O-N 3.45Å; A107-Y110 PolarHBondContact O-N 3.09Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 3.28Å; Y110-R113 PolarHBondContact O-N 2.7Å; Y110-L114 HydrophobicContact CD1-CD1 4.41Å; Y110-L114 HydrophobicContact CD2-CD1 3.72Å; Y110-L114 HydrophobicContact CE1-CD1 4.23Å; Y110-L114 HydrophobicContact CE1-CD2 3.92Å; Y110-L114 HydrophobicContact CE2-CD1 3.53Å; Y110-L114 HydrophobicContact CE2-CD2 4.2Å; Y110-L114 HydrophobicContact CG-CD1 4.15Å; Y110-L114 WeakPolarHBondContact O-CD1 2.88Å; Y110-L114 PolarHBondContact O-N 2.78Å; Y110-L114 VanDerWaalsContact O-N 3.12Å; Y110-L114 WeakPolarHBondContact OH-CD2 3.29Å
111A96.6Very high94.1Very high0 Ų059.3 Ų59.30%028%0.281CS..Hα-helixtrans-55.5-53.6175.300000111.1L55 Y76 Y102 A107 A108 R113 L114 L115L55-A111 HydrophobicContact CD1-CB 3.94Å; Y76-A111 HydrophobicContact CD2-CB 4.26Å; Y76-A111 HydrophobicContact CG-CB 4.05Å; Y102-A111 HydrophobicContact CE1-CB 4.4Å; Y102-A111 HydrophobicContact CE2-CB 3.7Å; Y102-A111 VanDerWaalsContact OH-CB 3.27Å; Y102-A111 WeakPolarHBondContact OH-CB 3.49Å; A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.44Å; A107-A111 PolarHBondContact O-N 3.25Å; A108-A111 PolarHBondContact O-N 3.23Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 3.29Å; A111-L114 PolarHBondContact O-N 3.16Å; A111-L114 VanDerWaalsContact O-N 3.16Å; A111-L115 HydrophobicContact CB-CD1 4.09Å; A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 WeakPolarHBondContact O-CG 3.17Å; A111-L115 PolarHBondContact O-N 3.01Å
112K94.7Very high93.9Very high35 Ų3562.5 Ų62.515%0.15232%0.319CS..Hα-helixtrans-53.4-48.7176.5-173.8-170.3-174.7-37.60111.2L55 A108 L114 D116 V127 Y129L55-K112 HydrophobicContact CD1-CB 4.22Å; L55-K112 HydrophobicContact CD2-CB 4.12Å; A108-K112 WeakPolarHBondContact O-CB 3.47Å; A108-K112 PolarHBondContact O-N 3.21Å; K112-L114 VanDerWaalsContact C-N 3.26Å; K112-L114 PolarHBondContact O-N 3.01Å; K112-D116 IonicContact NZ-OD2 2.6Å; K112-D116 PolarHBondContact NZ-OD2 3.39Å; K112-D116 VanDerWaalsContact NZ-OD2 3.15Å; K112-D116 WeakPolarHBondContact O-CB 3.28Å; K112-D116 PolarHBondContact O-N 3.12Å; K112-D116 VanDerWaalsContact O-N 3.09Å; K112-V127 HydrophobicContact CB-CG1 4.31Å; K112-V127 VanDerWaalsContact CE-O 3.28Å; K112-V127 WeakPolarHBondContact CE-O 3.49Å; K112-V127 HydrophobicContact CG-CB 4.39Å; K112-V127 HydrophobicContact CG-CG1 4.05Å; K112-V127 PolarHBondContact NZ-O 3.15Å; K112-Y129 HydrophobicContact CB-CE1 4.39Å; K112-Y129 HydrophobicContact CD-CD1 4.27Å; K112-Y129 HydrophobicContact CD-CD2 3.66Å; K112-Y129 HydrophobicContact CD-CE1 3.91Å; K112-Y129 HydrophobicContact CD-CE2 3.26Å; K112-Y129 HydrophobicContact CD-CG 4.13Å
113R91.7Very high93.7Very high177 Ų17763.3 Ų63.367%0.66833%0.328SS*.Hα-helixtrans-64.2-28.2-175.7-176.3169.164.290.9-5.1114R109 Y110 A111R109-R113 WeakPolarHBondContact O-CB 3.49Å; R109-R113 PolarHBondContact O-N 3.43Å; R109-R113 VanDerWaalsContact O-N 3.11Å; Y110-R113 PolarHBondContact O-N 2.7Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 3.29Å
114L93.3Very high93.6Very high58 Ų5863.7 Ų63.730%0.30434%0.336SS..Hα-helixtrans-102.6-27.8-175.9-81.379.9000113.2Y76 Y110 A111 K112Y76-L114 HydrophobicContact CD1-CB 4.26Å; Y76-L114 HydrophobicContact CD1-CD2 4.34Å; Y76-L114 HydrophobicContact CE1-CB 3.52Å; Y76-L114 HydrophobicContact CE1-CD2 3.71Å; Y76-L114 HydrophobicContact CE1-CG 4.19Å; Y110-L114 HydrophobicContact CD1-CD1 4.41Å; Y110-L114 HydrophobicContact CD2-CD1 3.72Å; Y110-L114 HydrophobicContact CE1-CD1 4.23Å; Y110-L114 HydrophobicContact CE1-CD2 3.92Å; Y110-L114 HydrophobicContact CE2-CD1 3.53Å; Y110-L114 HydrophobicContact CE2-CD2 4.2Å; Y110-L114 HydrophobicContact CG-CD1 4.15Å; Y110-L114 WeakPolarHBondContact O-CD1 2.88Å; Y110-L114 PolarHBondContact O-N 2.78Å; Y110-L114 VanDerWaalsContact O-N 3.12Å; Y110-L114 WeakPolarHBondContact OH-CD2 3.29Å; A111-L114 PolarHBondContact O-N 3.16Å; A111-L114 VanDerWaalsContact O-N 3.16Å; K112-L114 VanDerWaalsContact C-N 3.26Å; K112-L114 PolarHBondContact O-N 3.01Å
115L95.1Very high93.8Very high0 Ų058.8 Ų58.80%031%0.309CS..Hα-helixtrans-84.8-30.3178.9-71.8174.6000112.8I57 R72 Y76 A111 D117 S118 V127I57-L115 HydrophobicContact CD1-CD1 4.46Å; R72-L115 HydrophobicContact CG-CD2 3.99Å; Y76-L115 HydrophobicContact CD2-CD1 4.09Å; Y76-L115 HydrophobicContact CD2-CD2 4.41Å; Y76-L115 HydrophobicContact CD2-CG 4.15Å; Y76-L115 HydrophobicContact CE2-CD1 3.96Å; Y76-L115 HydrophobicContact CE2-CD2 3.48Å; Y76-L115 VanDerWaalsContact CE2-CD2 3.48Å; Y76-L115 HydrophobicContact CE2-CG 3.59Å; A111-L115 HydrophobicContact CB-CD1 4.09Å; A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 WeakPolarHBondContact O-CG 3.17Å; A111-L115 PolarHBondContact O-N 3.01Å; L115-D117 PolarHBondContact O-N 2.98Å; L115-S118 WeakPolarHBondContact CA-OG 3.41Å; L115-S118 VanDerWaalsContact O-CB 3.26Å; L115-S118 WeakPolarHBondContact O-CB 3.29Å; L115-S118 PolarHBondContact O-N 3.4Å; L115-S118 PolarHBondContact O-OG 2.81Å; L115-V127 HydrophobicContact CB-CG2 3.89Å
116D93.6Very high93.9Very high46 Ų4659.2 Ų59.225%0.24631%0.311CS..THydrogen-bonded Turntrans-63129.3177.7-157.421.4000110K112 S118 H126 V127K112-D116 IonicContact NZ-OD2 2.6Å; K112-D116 PolarHBondContact NZ-OD2 3.39Å; K112-D116 VanDerWaalsContact NZ-OD2 3.15Å; K112-D116 WeakPolarHBondContact O-CB 3.28Å; K112-D116 PolarHBondContact O-N 3.12Å; K112-D116 VanDerWaalsContact O-N 3.09Å; D116-S118 PolarHBondContact O-N 3.01Å; D116-H126 IonicContact OD1-ND1 2.76Å; D116-V127 HydrophobicContact CB-CB 4.11Å; D116-V127 HydrophobicContact CB-CG2 4.45Å; D116-V127 PolarHBondContact OD1-N 3.17Å
117D91.3Very high94.1Very high103 Ų10352.1 Ų52.155%0.55128%0.28SS*.THydrogen-bonded Turntrans5916.2-170.8-61.4-46.7000115.3K15 L115 L125K15-D117 VanDerWaalsContact CE-OD1 3.29Å; K15-D117 WeakPolarHBondContact CE-OD1 3.4Å; K15-D117 IonicContact NZ-OD1 2.84Å; K15-D117 PolarHBondContact NZ-OD1 2.9Å; L115-D117 PolarHBondContact O-N 2.98Å; D117-L125 VanDerWaalsContact CA-O 3.27Å; D117-L125 WeakPolarHBondContact CA-O 3.19Å; D117-L125 PolarHBondContact N-O 2.86Å
118S94.2Very high94Very high20 Ų2052 Ų5214%0.1428%0.278CS..  trans-82.8152.1174.6760000112.2L115 D116 L125L115-S118 WeakPolarHBondContact CA-OG 3.41Å; L115-S118 VanDerWaalsContact O-CB 3.26Å; L115-S118 WeakPolarHBondContact O-CB 3.29Å; L115-S118 PolarHBondContact O-N 3.4Å; L115-S118 PolarHBondContact O-OG 2.81Å; D116-S118 PolarHBondContact O-N 3.01Å; S118-L125 PolarHBondContact O-N 3.45Å
119S95Very high93.9Very high95 Ų9553 Ų5366%0.66428%0.282SS*.EExtended strand (participates in β ladder)trans-80.2137.4175.9590000111.9G123S119-G123 CarbonylContact C-O 3.59Å; S119-G123 VanDerWaalsContact CA-O 3.28Å; S119-G123 WeakPolarHBondContact CA-O 3.26Å
120F95.5Very high93.9Very high14 Ų1449 Ų496%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-144.5112.2176.6-176.2-99.5000109.6V60 L65 P68 L69 R72 G122 G123 L125V60-F120 HydrophobicContact CG1-CD1 4.27Å; V60-F120 HydrophobicContact CG1-CE1 3.86Å; L65-F120 HydrophobicContact CB-CE1 3.87Å; L65-F120 HydrophobicContact CB-CZ 4.1Å; L65-F120 HydrophobicContact CD1-CD1 4.48Å; L65-F120 HydrophobicContact CD1-CE1 3.77Å; L65-F120 HydrophobicContact CD1-CZ 4.49Å; L65-F120 HydrophobicContact CG-CE1 4.47Å; P68-F120 HydrophobicContact CB-CE2 4.46Å; P68-F120 HydrophobicContact CB-CZ 4.12Å; L69-F120 HydrophobicContact CB-CE2 4.5Å; L69-F120 HydrophobicContact CB-CZ 3.92Å; L69-F120 HydrophobicContact CD1-CE2 4.39Å; L69-F120 HydrophobicContact CD1-CZ 4.27Å; R72-F120 HydrophobicContact CB-CE2 4.42Å; F120-G122 PolarHBondContact O-N 3.3Å; F120-G123 PolarHBondContact N-O 3.36Å; F120-G123 WeakPolarHBondContact O-CA 3.08Å; F120-G123 PolarHBondContact O-N 3.45Å; F120-L125 HydrophobicContact CB-CD1 3.76Å; F120-L125 HydrophobicContact CB-CD2 3.81Å; F120-L125 HydrophobicContact CB-CG 3.69Å; F120-L125 HydrophobicContact CD1-CD2 4.31Å; F120-L125 HydrophobicContact CG-CD1 4.23Å; F120-L125 HydrophobicContact CG-CD2 4.3Å; F120-L125 HydrophobicContact CG-CG 4.49Å
121Y95.2Very high93.6Very high141 Ų14145.8 Ų45.855%0.55326%0.259SS*.THydrogen-bonded Turntrans49.541.4-177.6-73.6-98.7000113.7L65 P68 G123L65-Y121 HydrophobicContact CD1-CD1 3.97Å; L65-Y121 HydrophobicContact CD1-CD2 3.7Å; L65-Y121 HydrophobicContact CD1-CE2 4.27Å; L65-Y121 HydrophobicContact CD1-CG 3.52Å; L65-Y121 HydrophobicContact CD2-CD1 4.09Å; L65-Y121 HydrophobicContact CD2-CD2 4.42Å; L65-Y121 HydrophobicContact CD2-CE1 3.87Å; L65-Y121 HydrophobicContact CD2-CE2 4.21Å; L65-Y121 HydrophobicContact CD2-CG 4.36Å; P68-Y121 HydrophobicContact CB-CE2 3.69Å; P68-Y121 WeakPolarHBondContact CB-OH 3.5Å; P68-Y121 HydrophobicContact CG-CE2 4.31Å; P68-Y121 WeakPolarHBondContact CG-OH 3.39Å; Y121-G123 PolarHBondContact O-N 2.96Å
122G92.3Very high93.2Very high83 Ų8347.3 Ų47.386%0.85627%0.266SS*.THydrogen-bonded Turntrans83-17.3-178.100000114.9F120F120-G122 PolarHBondContact O-N 3.3Å
123G91Very high93.1Very high19 Ų1946.3 Ų46.320%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-80.8159.6172.200000112.7S119 F120 Y121S119-G123 CarbonylContact C-O 3.59Å; S119-G123 VanDerWaalsContact CA-O 3.28Å; S119-G123 WeakPolarHBondContact CA-O 3.26Å; F120-G123 PolarHBondContact N-O 3.36Å; F120-G123 WeakPolarHBondContact O-CA 3.08Å; F120-G123 PolarHBondContact O-N 3.45Å; Y121-G123 PolarHBondContact O-N 2.96Å
124S93.5Very high93Very high78 Ų7839.1 Ų39.155%0.54524%0.236SC..EExtended strand (participates in β ladder)trans-106.5119.7171.4-62.60000109.4
125L95.3Very high92.9Very high0 Ų039.8 Ų39.80%024%0.242CC..  trans-75.4144.7-178.1-60.6-176000111.5I57 F58 V60 D117 S118 F120 V127I57-L125 HydrophobicContact CG2-CB 4.49Å; I57-L125 HydrophobicContact CG2-CD1 4.24Å; I57-L125 HydrophobicContact CG2-CD2 4Å; I57-L125 HydrophobicContact CG2-CG 4.48Å; F58-L125 WeakPolarHBondContact O-CA 3.39Å; V60-L125 HydrophobicContact CG2-CD2 3.83Å; D117-L125 VanDerWaalsContact CA-O 3.27Å; D117-L125 WeakPolarHBondContact CA-O 3.19Å; D117-L125 PolarHBondContact N-O 2.86Å; S118-L125 PolarHBondContact O-N 3.45Å; F120-L125 HydrophobicContact CB-CD1 3.76Å; F120-L125 HydrophobicContact CB-CD2 3.81Å; F120-L125 HydrophobicContact CB-CG 3.69Å; F120-L125 HydrophobicContact CD1-CD2 4.31Å; F120-L125 HydrophobicContact CG-CD1 4.23Å; F120-L125 HydrophobicContact CG-CD2 4.3Å; F120-L125 HydrophobicContact CG-CG 4.49Å; L125-V127 HydrophobicContact CB-CG2 4.44Å
126H94.2Very high92.6Very high26 Ų2644.5 Ų44.512%0.1227%0.271CS..EExtended strand (participates in β ladder)trans-121.5123.5167.9167.463000108.6H13 K15 F58 D116 C128H13-H126 PolarHBondContact O-NE2 2.84Å; K15-H126 HydrophobicContact CD-CB 4.18Å; F58-H126 HydrophobicContact CB-CB 4.15Å; F58-H126 AromaticContact CD2-CD2 3.42Å; F58-H126 VanDerWaalsContact CD2-CD2 3.42Å; F58-H126 WeakPolarHBondContact CD2-CD2 3.27Å; F58-H126 WeakPolarHBondContact CD2-O 3.44Å; F58-H126 PolarHBondContact N-O 3.26Å; F58-H126 PolarHBondContact O-N 2.75Å; F58-H126 VanDerWaalsContact O-N 3.11Å; D116-H126 IonicContact OD1-ND1 2.76Å; H126-C128 PolarHBondContact CE1-SG 3.42Å; H126-C128 PolarHBondContact NE2-SG 2.95Å
127V95.1Very high92.5Very high0 Ų045.2 Ų45.20%028%0.283CS..EExtended strand (participates in β ladder)trans-123.1117.2-169.2-172.70000111.3L55 L56 I57 K112 L115 D116 L125L55-V127 HydrophobicContact CB-CG1 4.14Å; L55-V127 HydrophobicContact CD1-CG1 4.07Å; L55-V127 HydrophobicContact CD2-CG1 4.45Å; L55-V127 HydrophobicContact CG-CG1 4.47Å; L56-V127 WeakPolarHBondContact O-CA 3.43Å; I57-V127 HydrophobicContact CG1-CG1 4.3Å; I57-V127 HydrophobicContact CG1-CG2 4.24Å; I57-V127 HydrophobicContact CG2-CG2 4.4Å; K112-V127 HydrophobicContact CB-CG1 4.31Å; K112-V127 VanDerWaalsContact CE-O 3.28Å; K112-V127 WeakPolarHBondContact CE-O 3.49Å; K112-V127 HydrophobicContact CG-CB 4.39Å; K112-V127 HydrophobicContact CG-CG1 4.05Å; K112-V127 PolarHBondContact NZ-O 3.15Å; L115-V127 HydrophobicContact CB-CG2 3.89Å; D116-V127 HydrophobicContact CB-CB 4.11Å; D116-V127 HydrophobicContact CB-CG2 4.45Å; D116-V127 PolarHBondContact OD1-N 3.17Å; L125-V127 HydrophobicContact CB-CG2 4.44Å
128C92.6Very high92.4Very high9 Ų942.5 Ų42.56%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-111.4152177.9-68.20000111.5L55 L56 H126L55-C128 WeakPolarHBondContact CA-O 3.46Å; L56-C128 PolarHBondContact N-O 3.06Å; L56-C128 PolarHBondContact O-N 3.49Å; H126-C128 PolarHBondContact CE1-SG 3.42Å; H126-C128 PolarHBondContact NE2-SG 2.95Å
129Y93.7Very high92.2Very high20 Ų2043.5 Ų43.58%0.07827%0.273CS..EExtended strand (participates in β ladder)trans-72.9147.6160.5-67.7-64.1000108.9H12 D50 E51 L55 R109 K112H12-Y129 PolarHBondContact NE2-O 2.68Å; D50-Y129 WeakPolarHBondContact O-CB 3.4Å; E51-Y129 HydrophobicContact CB-CE1 4.41Å; E51-Y129 HydrophobicContact CB-CE2 4.32Å; E51-Y129 HydrophobicContact CG-CD2 4.3Å; E51-Y129 HydrophobicContact CG-CE2 3.82Å; L55-Y129 HydrophobicContact CD2-CD1 3.39Å; L55-Y129 HydrophobicContact CD2-CE1 3.63Å; L55-Y129 HydrophobicContact CD2-CG 4.33Å; R109-Y129 WeakPolarHBondContact CA-OH 3.31Å; R109-Y129 WeakPolarHBondContact CG-OH 3.31Å; K112-Y129 HydrophobicContact CB-CE1 4.39Å; K112-Y129 HydrophobicContact CD-CD1 4.27Å; K112-Y129 HydrophobicContact CD-CD2 3.66Å; K112-Y129 HydrophobicContact CD-CE1 3.91Å; K112-Y129 HydrophobicContact CD-CE2 3.26Å; K112-Y129 HydrophobicContact CD-CG 4.13Å
130A92.3Very high91.9Very high0 Ų047.7 Ų47.70%027%0.274CS..  trans-13268.8-178.300000110.4S52 Y54 L56 E132 Y133S52-A130 PolarHBondContact OG-N 3.31Å; S52-A130 VanDerWaalsContact OG-N 3.1Å; Y54-A130 PolarHBondContact O-N 3.17Å; L56-A130 HydrophobicContact CB-CB 4.1Å; A130-E132 WeakPolarHBondContact CB-OE1 3.45Å; A130-E132 PolarHBondContact O-N 3.11Å; A130-Y133 HydrophobicContact CB-CD2 3.63Å; A130-Y133 HydrophobicContact CB-CE2 4.2Å; A130-Y133 HydrophobicContact CB-CG 4.43Å; A130-Y133 PolarHBondContact O-N 3.2Å
131P90.6Very high91.7Very high38 Ų3852.1 Ų52.125%0.24730%0.298CS..G310 helixtrans-64-20.8-178.327.1-34.9000113.5Y133 E134P131-Y133 PolarHBondContact O-N 3.1Å; P131-E134 WeakPolarHBondContact O-CB 3.46Å; P131-E134 PolarHBondContact O-N 3.06Å
132E88.2Confident91.3Very high31 Ų3146 Ų4615%0.14528%0.275CS..G310 helixtrans-68.9-10.2174.869.7-76.1170.800114.5N5 F10 H12 H13 A130N5-E132 PolarHBondContact ND2-O 3.32Å; F10-E132 HydrophobicContact CD2-CG 4.21Å; F10-E132 HydrophobicContact CE1-CB 4.45Å; F10-E132 HydrophobicContact CE2-CB 4.21Å; F10-E132 HydrophobicContact CE2-CG 3.59Å; F10-E132 HydrophobicContact CZ-CB 3.86Å; F10-E132 HydrophobicContact CZ-CG 3.78Å; H12-E132 IonicContact CE1-OE2 3.15Å; H12-E132 IonicContact NE2-OE2 2.74Å; H13-E132 IonicContact CE1-OE1 2.66Å; H13-E132 PolarHBondContact CE1-OE1 3.41Å; H13-E132 IonicContact NE2-OE1 3.06Å; H13-E132 PolarHBondContact NE2-OE1 3.46Å; H13-E132 IonicContact NE2-OE2 3.75Å; A130-E132 WeakPolarHBondContact CB-OE1 3.45Å; A130-E132 PolarHBondContact O-N 3.11Å
133Y90.9Very high91.1Very high15 Ų1545.9 Ų45.96%0.05925%0.254CS..G310 helixtrans-91.9-9.9171.1-71.7-102.4000112.4F3 I85 V99 A130 P131F3-Y133 HydrophobicContact CB-CD1 4.07Å; F3-Y133 HydrophobicContact CB-CE1 3.64Å; F3-Y133 AromaticContact CD1-CD1 3.26Å; F3-Y133 HydrophobicContact CD1-CD1 3.26Å; F3-Y133 AromaticContact CD1-CE1 3.72Å; F3-Y133 HydrophobicContact CD1-CE1 3.72Å; F3-Y133 HydrophobicContact CD1-CG 4.36Å; F3-Y133 HydrophobicContact CD2-CD1 4.13Å; F3-Y133 AromaticContact CD2-CE1 3.88Å; F3-Y133 HydrophobicContact CD2-CE1 3.88Å; F3-Y133 AromaticContact CE1-CD1 3.54Å; F3-Y133 HydrophobicContact CE1-CD1 3.54Å; F3-Y133 HydrophobicContact CE1-CE1 4.27Å; F3-Y133 HydrophobicContact CE2-CD1 4.36Å; F3-Y133 HydrophobicContact CE2-CE1 4.41Å; F3-Y133 AromaticContact CG-CD1 3.57Å; F3-Y133 HydrophobicContact CG-CD1 3.57Å; F3-Y133 AromaticContact CG-CE1 3.48Å; F3-Y133 HydrophobicContact CG-CE1 3.48Å; F3-Y133 VanDerWaalsContact CG-CE1 3.48Å; F3-Y133 HydrophobicContact CZ-CD1 4.08Å; I85-Y133 HydrophobicContact CD1-CE1 4.23Å; I85-Y133 VanDerWaalsContact CD1-OH 3.24Å; I85-Y133 WeakPolarHBondContact CD1-OH 3.34Å; V99-Y133 HydrophobicContact CG1-CD1 4.1Å; V99-Y133 HydrophobicContact CG1-CG 4.48Å; V99-Y133 HydrophobicContact CG2-CD1 4.11Å; V99-Y133 HydrophobicContact CG2-CE1 3.76Å; A130-Y133 HydrophobicContact CB-CD2 3.63Å; A130-Y133 HydrophobicContact CB-CE2 4.2Å; A130-Y133 HydrophobicContact CB-CG 4.43Å; A130-Y133 PolarHBondContact O-N 3.2Å; P131-Y133 PolarHBondContact O-N 3.1Å
134E90.5Very high91Very high26 Ų2651.7 Ų51.712%0.12127%0.271CS..SBendtrans-77.5140.7173.3-66.4-175.5164.700110.9S52 C53 Y54 P131 K142S52-E134 WeakPolarHBondContact CA-OE1 3.38Å; S52-E134 VanDerWaalsContact CB-CD 3.45Å; S52-E134 WeakPolarHBondContact CB-OE1 3.5Å; C53-E134 PolarHBondContact N-OE1 3.25Å; C53-E134 VanDerWaalsContact N-OE1 3.1Å; Y54-E134 HydrophobicContact CD2-CB 4.46Å; Y54-E134 HydrophobicContact CD2-CG 3.47Å; Y54-E134 VanDerWaalsContact CD2-CG 3.47Å; Y54-E134 HydrophobicContact CE2-CB 4.44Å; Y54-E134 HydrophobicContact CE2-CG 3.81Å; Y54-E134 HydrophobicContact CG-CG 4.49Å; P131-E134 WeakPolarHBondContact O-CB 3.46Å; P131-E134 PolarHBondContact O-N 3.06Å; E134-K142 IonicContact OE1-NZ 3.39Å; E134-K142 WeakPolarHBondContact OE2-CE 3.38Å; E134-K142 IonicContact OE2-NZ 2.71Å; E134-K142 PolarHBondContact OE2-NZ 3.06Å
135T90.7Very high90.7Very high71 Ų7153.3 Ų53.344%0.43627%0.27SS..  trans-74.4158.3167.7640000110.8A137 E138 C139T135-A137 PolarHBondContact O-N 2.96Å; T135-E138 PolarHBondContact N-OE2 3.46Å; T135-E138 PolarHBondContact O-N 2.71Å; T135-E138 VanDerWaalsContact OG1-CD 3.25Å; T135-E138 WeakPolarHBondContact OG1-CG 3.37Å; T135-E138 PolarHBondContact OG1-N 3.12Å; T135-E138 PolarHBondContact OG1-OE2 3.18Å; T135-C139 PolarHBondContact O-N 3.38Å
136V88.9Confident90.3Very high100 Ų10054.2 Ų54.261%0.60628%0.276SS*.Hα-helixtrans-58.7-34.4175.6179.10000111.4R140V136-R140 VanDerWaalsContact O-CG 3.31Å; V136-R140 WeakPolarHBondContact O-CG 3.41Å; V136-R140 PolarHBondContact O-N 3.46Å
137A91.4Very high90Very high60 Ų6057.7 Ų57.750%0.49629%0.288SS..Hα-helixtrans-65.9-45.917700000112.1T135 C139 R140 L141T135-A137 PolarHBondContact O-N 2.96Å; A137-C139 PolarHBondContact O-N 3.47Å; A137-R140 PolarHBondContact O-N 3.36Å; A137-L141 WeakPolarHBondContact O-CG 3.36Å; A137-L141 PolarHBondContact O-N 3.09Å
138E90.2Very high89.6Confident46 Ų4662.1 Ų62.122%0.21531%0.308CS..Hα-helixtrans-62.8-42.4176.4-71.9164.9147.800111.7Y54 K101 T135 R140 L141 K142Y54-E138 PolarHBondContact OH-OE1 3.01Å; Y54-E138 PolarHBondContact OH-OE2 3.47Å; K101-E138 VanDerWaalsContact CE-OE1 3.28Å; K101-E138 WeakPolarHBondContact CE-OE1 3.35Å; K101-E138 IonicContact NZ-OE1 3.55Å; K101-E138 PolarHBondContact NZ-OE1 2.72Å; T135-E138 PolarHBondContact N-OE2 3.46Å; T135-E138 PolarHBondContact O-N 2.71Å; T135-E138 VanDerWaalsContact OG1-CD 3.25Å; T135-E138 WeakPolarHBondContact OG1-CG 3.37Å; T135-E138 PolarHBondContact OG1-N 3.12Å; T135-E138 PolarHBondContact OG1-OE2 3.18Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 2.87Å; E138-L141 PolarHBondContact O-N 2.97Å; E138-K142 VanDerWaalsContact O-CB 3.31Å; E138-K142 WeakPolarHBondContact O-CB 3.46Å; E138-K142 PolarHBondContact O-N 2.84Å
139C89.4Confident89.3Confident41 Ų4165.3 Ų65.328%0.27733%0.325SS..Hα-helixtrans-62.2-41176.3-175.90000111.8T135 A137 K142 L143T135-C139 PolarHBondContact O-N 3.38Å; A137-C139 PolarHBondContact O-N 3.47Å; C139-K142 PolarHBondContact O-N 3.03Å; C139-L143 VanDerWaalsContact O-CG 3.31Å; C139-L143 WeakPolarHBondContact O-CG 3.46Å; C139-L143 PolarHBondContact O-N 3.21Å
140R89.5Confident88.9Confident183 Ų18368.9 Ų68.969%0.69135%0.345SS*.Hα-helixtrans-61.7-46.3174.5-76.2173.7178.5166.30.4112.2V136 A137 E138 L143 Y144V136-R140 VanDerWaalsContact O-CG 3.31Å; V136-R140 WeakPolarHBondContact O-CG 3.41Å; V136-R140 PolarHBondContact O-N 3.46Å; A137-R140 PolarHBondContact O-N 3.36Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 2.87Å; R140-L143 PolarHBondContact O-N 2.74Å; R140-Y144 WeakPolarHBondContact O-CB 3.44Å; R140-Y144 PolarHBondContact O-N 3.19Å
141L89.8Confident88.7Confident108 Ų10871 Ų7157%0.56536%0.363SS*.Hα-helixtrans-61.7-47.2177.1-72.7171.2000111.3A137 E138 L143 Y144 E145A137-L141 WeakPolarHBondContact O-CG 3.36Å; A137-L141 PolarHBondContact O-N 3.09Å; E138-L141 PolarHBondContact O-N 2.97Å; L141-L143 VanDerWaalsContact C-N 3.34Å; L141-L143 PolarHBondContact O-N 2.76Å; L141-Y144 PolarHBondContact O-N 3.17Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.66Å
142K88.6Confident88.6Confident12 Ų1277.1 Ų77.15%0.05238%0.381CS..Hα-helixtrans-53.9-48.3175.8-179.9-178.570.8-175.90112.2V48 E51 L105 E134 E138 C139 C146V48-K142 HydrophobicContact CG1-CG 4.45Å; V48-K142 WeakPolarHBondContact O-CE 3.32Å; E51-K142 PolarHBondContact O-NZ 3.39Å; L105-K142 HydrophobicContact CD1-CD 4.42Å; L105-K142 HydrophobicContact CD2-CD 4.34Å; L105-K142 HydrophobicContact CD2-CG 4.17Å; E134-K142 IonicContact OE1-NZ 3.39Å; E134-K142 WeakPolarHBondContact OE2-CE 3.38Å; E134-K142 IonicContact OE2-NZ 2.71Å; E134-K142 PolarHBondContact OE2-NZ 3.06Å; E138-K142 VanDerWaalsContact O-CB 3.31Å; E138-K142 WeakPolarHBondContact O-CB 3.46Å; E138-K142 PolarHBondContact O-N 2.84Å; C139-K142 PolarHBondContact O-N 3.03Å; K142-C146 WeakPolarHBondContact O-CB 3.34Å; K142-C146 PolarHBondContact O-N 3.33Å; K142-C146 PolarHBondContact O-SG 2.71Å
143L87.8Confident88.6Confident81 Ų8180.4 Ų80.442%0.42440%0.399SS..Hα-helixtrans-67-40179.4-69.8176000112V48 C139 R140 L141 C146 R147V48-L143 HydrophobicContact CG1-CD2 4.38Å; C139-L143 VanDerWaalsContact O-CG 3.31Å; C139-L143 WeakPolarHBondContact O-CG 3.46Å; C139-L143 PolarHBondContact O-N 3.21Å; R140-L143 PolarHBondContact O-N 2.74Å; L141-L143 VanDerWaalsContact C-N 3.34Å; L141-L143 PolarHBondContact O-N 2.76Å; L143-C146 PolarHBondContact O-N 2.94Å; L143-R147 WeakPolarHBondContact O-CB 3.41Å; L143-R147 PolarHBondContact O-N 3.31Å
144Y88.6Confident88.4Confident141 Ų14182.8 Ų82.855%0.55342%0.418SS*.Hα-helixtrans-62.4-49.8175.8176.5-98.3000111.8R140 L141 C146 R147 H148R140-Y144 WeakPolarHBondContact O-CB 3.44Å; R140-Y144 PolarHBondContact O-N 3.19Å; L141-Y144 PolarHBondContact O-N 3.17Å; Y144-C146 VanDerWaalsContact C-N 3.31Å; Y144-C146 PolarHBondContact O-N 2.76Å; Y144-R147 PolarHBondContact O-N 3.15Å; Y144-H148 WeakPolarHBondContact O-CB 3.37Å; Y144-H148 PolarHBondContact O-N 2.86Å
145E87.6Confident88.3Confident112 Ų11289 Ų8952%0.52344%0.44SS..Hα-helixtrans-57.6-44.7176.7-74.7179.2179.100111.6L141 R147 H148 L149L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.66Å; E145-R147 PolarHBondContact O-N 2.81Å; E145-H148 PolarHBondContact O-N 2.95Å; E145-L149 WeakPolarHBondContact O-CB 3.4Å; E145-L149 WeakPolarHBondContact O-CG 3.3Å; E145-L149 PolarHBondContact O-N 3.28Å
146C86.4Confident88.4Confident19 Ų1991.9 Ų91.913%0.12845%0.446CS..Hα-helixtrans-64.2-41.2178.7-71.30000111.9V48 K142 L143 Y144 N150V48-C146 HydrophobicContact CG1-CB 3.86Å; V48-C146 WeakPolarHBondContact CG1-SG 3.38Å; K142-C146 WeakPolarHBondContact O-CB 3.34Å; K142-C146 PolarHBondContact O-N 3.33Å; K142-C146 PolarHBondContact O-SG 2.71Å; L143-C146 PolarHBondContact O-N 2.94Å; Y144-C146 VanDerWaalsContact C-N 3.31Å; Y144-C146 PolarHBondContact O-N 2.76Å; C146-N150 VanDerWaalsContact O-CB 3.31Å; C146-N150 WeakPolarHBondContact O-CB 3.38Å; C146-N150 PolarHBondContact O-N 3.29Å; C146-N150 PolarHBondContact O-ND2 3.35Å
147R86.6Confident88.3Confident98 Ų9891.1 Ų91.137%0.3744%0.442SS..Hα-helixtrans-63.3-44.7174.5-172.1-177.2-62.1171.9-2.3111.5L143 Y144 E145 N150 A151 Y229L143-R147 WeakPolarHBondContact O-CB 3.41Å; L143-R147 PolarHBondContact O-N 3.31Å; Y144-R147 PolarHBondContact O-N 3.15Å; E145-R147 PolarHBondContact O-N 2.81Å; R147-N150 PolarHBondContact O-N 3.02Å; R147-A151 WeakPolarHBondContact O-CB 3Å; R147-A151 PolarHBondContact O-N 3.02Å; R147-Y229 VanDerWaalsContact NH1-C 3.29Å; R147-Y229 PolarHBondContact NH1-O 3.37Å; R147-Y229 PolarHBondContact NH2-O 3.18Å
148H87.3Confident88Confident93 Ų9394 Ų9443%0.43145%0.445SS..Hα-helixtrans-61.4-46.3178.9-174.286000111.7Y144 E145 A151 R152Y144-H148 WeakPolarHBondContact O-CB 3.37Å; Y144-H148 PolarHBondContact O-N 2.86Å; E145-H148 PolarHBondContact O-N 2.95Å; H148-A151 PolarHBondContact O-N 2.81Å; H148-R152 PolarHBondContact O-N 3.06Å
149L86.8Confident87.7Confident77 Ų7798 Ų9840%0.40346%0.463SS..Hα-helixtrans-62.6-44.4176-73.3177.1000111.9E145 R152 I153E145-L149 WeakPolarHBondContact O-CB 3.4Å; E145-L149 WeakPolarHBondContact O-CG 3.3Å; E145-L149 PolarHBondContact O-N 3.28Å; L149-R152 PolarHBondContact O-N 3.17Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.31Å; L149-I153 PolarHBondContact O-N 2.98Å
150N85.9Confident87.7Confident94 Ų9499.5 Ų99.550%0.50347%0.466SS..Hα-helixtrans-62.4-44.4177.4-73.5-16.7000111.4C146 R147 R152 I153 S154C146-N150 VanDerWaalsContact O-CB 3.31Å; C146-N150 WeakPolarHBondContact O-CB 3.38Å; C146-N150 PolarHBondContact O-N 3.29Å; C146-N150 PolarHBondContact O-ND2 3.35Å; R147-N150 PolarHBondContact O-N 3.02Å; N150-R152 VanDerWaalsContact C-N 3.29Å; N150-R152 PolarHBondContact O-N 3.11Å; N150-I153 PolarHBondContact O-N 2.66Å; N150-S154 WeakPolarHBondContact O-CB 3.36Å; N150-S154 PolarHBondContact O-N 3.29Å; N150-S154 PolarHBondContact O-OG 2.88Å; N150-S154 VanDerWaalsContact O-OG 3.06Å
151A86.3Confident87.4Confident46 Ų4696.7 Ų96.738%0.3846%0.457SS..Hα-helixtrans-61.7-36.9176.200000112.3R147 H148 R155R147-A151 WeakPolarHBondContact O-CB 3Å; R147-A151 PolarHBondContact O-N 3.02Å; H148-A151 PolarHBondContact O-N 2.81Å; A151-R155 WeakPolarHBondContact O-CG 3.43Å; A151-R155 PolarHBondContact O-N 3.35Å; A151-R155 VanDerWaalsContact O-N 3.1Å; A151-R155 PolarHBondContact O-NE 2.62Å
152R89.9Confident87.1Confident166 Ų16697.1 Ų97.163%0.62646%0.459SS*.Hα-helixtrans-66.3-43.9173.8-174.3176.4179.8157.80.6111.9H148 L149 N150 K156H148-R152 PolarHBondContact O-N 3.06Å; L149-R152 PolarHBondContact O-N 3.17Å; N150-R152 VanDerWaalsContact C-N 3.29Å; N150-R152 PolarHBondContact O-N 3.11Å; R152-K156 WeakPolarHBondContact O-CB 3.39Å; R152-K156 PolarHBondContact O-N 3.48Å
153I87.9Confident87Confident100 Ų100102.1 Ų102.151%0.51348%0.482SS..Hα-helixtrans-63.7-45.8177.3-68165.4000110.2L149 N150 R155 K156 V157L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.31Å; L149-I153 PolarHBondContact O-N 2.98Å; N150-I153 PolarHBondContact O-N 2.66Å; I153-R155 PolarHBondContact O-N 3.34Å; I153-K156 PolarHBondContact O-N 2.92Å; I153-V157 HydrophobicContact CG2-CG2 4.25Å; I153-V157 VanDerWaalsContact O-CG2 3.31Å; I153-V157 WeakPolarHBondContact O-CG2 3.49Å; I153-V157 PolarHBondContact O-N 3.42Å
154S86.6Confident86.7Confident65 Ų65105.3 Ų105.346%0.45549%0.493SS..Hα-helixtrans-57.5-49.7177.8-62.50000111.8N150 K156 V157 E158N150-S154 WeakPolarHBondContact O-CB 3.36Å; N150-S154 PolarHBondContact O-N 3.29Å; N150-S154 PolarHBondContact O-OG 2.88Å; N150-S154 VanDerWaalsContact O-OG 3.06Å; S154-K156 VanDerWaalsContact C-N 3.32Å; S154-K156 PolarHBondContact O-N 3.31Å; S154-V157 PolarHBondContact O-N 3.24Å; S154-E158 WeakPolarHBondContact O-CB 3.5Å; S154-E158 WeakPolarHBondContact O-CG 3.48Å; S154-E158 PolarHBondContact O-N 3.39Å
155R88.8Confident86.1Confident156 Ų156104.6 Ų104.659%0.58949%0.493SS*.Hα-helixtrans-59.5-41.5176.8-74.4-176.6-69.8160.3-5.3112.7A151 I153 E158 H159A151-R155 WeakPolarHBondContact O-CG 3.43Å; A151-R155 PolarHBondContact O-N 3.35Å; A151-R155 VanDerWaalsContact O-N 3.1Å; A151-R155 PolarHBondContact O-NE 2.62Å; I153-R155 PolarHBondContact O-N 3.34Å; R155-E158 PolarHBondContact O-N 2.91Å; R155-H159 WeakPolarHBondContact O-CB 3.31Å; R155-H159 PolarHBondContact O-N 2.84Å
156K91.8Very high85.2Confident131 Ų131103.7 Ų103.757%0.5750%0.499SS*.Hα-helixtrans-62.8-45.8176.5179174.6172.3175.20111.4R152 I153 S154 H159 E160R152-K156 WeakPolarHBondContact O-CB 3.39Å; R152-K156 PolarHBondContact O-N 3.48Å; I153-K156 PolarHBondContact O-N 2.92Å; S154-K156 VanDerWaalsContact C-N 3.32Å; S154-K156 PolarHBondContact O-N 3.31Å; K156-H159 PolarHBondContact O-N 2.61Å; K156-E160 WeakPolarHBondContact CE-OE1 3.48Å; K156-E160 IonicContact NZ-OE1 3.89Å; K156-E160 WeakPolarHBondContact O-CG 3.39Å; K156-E160 PolarHBondContact O-N 3.07Å
157V88.1Confident83.9Confident84 Ų84107.3 Ų107.351%0.50952%0.521SS..Hα-helixtrans-64.4-40.9178.7171.30000111.3I153 S154 E160 Y161I153-V157 HydrophobicContact CG2-CG2 4.25Å; I153-V157 VanDerWaalsContact O-CG2 3.31Å; I153-V157 WeakPolarHBondContact O-CG2 3.49Å; I153-V157 PolarHBondContact O-N 3.42Å; S154-V157 PolarHBondContact O-N 3.24Å; V157-E160 PolarHBondContact O-N 3Å; V157-Y161 VanDerWaalsContact O-CB 3.28Å; V157-Y161 WeakPolarHBondContact O-CB 2.86Å; V157-Y161 PolarHBondContact O-N 3.37Å
158E83.7Confident82.3Confident122 Ų122109.5 Ų109.557%0.5754%0.539SS*.Hα-helixtrans-61.8-45.3174.7-74.8174.1-176.800111.7S154 R155 Y161 L162S154-E158 WeakPolarHBondContact O-CB 3.5Å; S154-E158 WeakPolarHBondContact O-CG 3.48Å; S154-E158 PolarHBondContact O-N 3.39Å; R155-E158 PolarHBondContact O-N 2.91Å; E158-Y161 WeakPolarHBondContact O-CB 3.48Å; E158-Y161 PolarHBondContact O-N 3.46Å; E158-L162 WeakPolarHBondContact O-CG 3.36Å; E158-L162 PolarHBondContact O-N 3.22Å
159H85.2Confident80.2Confident128 Ų128110.2 Ų110.259%0.59355%0.554SS**Hα-helixtrans-62.5-47.6176.6-175-81.5000112.1R155 K156 Y161 L162 Q163R155-H159 WeakPolarHBondContact O-CB 3.31Å; R155-H159 PolarHBondContact O-N 2.84Å; K156-H159 PolarHBondContact O-N 2.61Å; H159-Y161 VanDerWaalsContact C-N 3.27Å; H159-Y161 PolarHBondContact O-N 3.47Å; H159-L162 PolarHBondContact O-N 2.99Å; H159-Q163 WeakPolarHBondContact O-CB 3.33Å; H159-Q163 PolarHBondContact O-N 2.72Å
160E87.9Confident78.3Confident74 Ų74115 Ų11535%0.34657%0.574SS.*Hα-helixtrans-61.5-35.9175.8-74.9179.3-168.100112.3K156 V157 K164K156-E160 WeakPolarHBondContact CE-OE1 3.48Å; K156-E160 IonicContact NZ-OE1 3.89Å; K156-E160 WeakPolarHBondContact O-CG 3.39Å; K156-E160 PolarHBondContact O-N 3.07Å; V157-E160 PolarHBondContact O-N 3Å; E160-K164 VanDerWaalsContact O-CG 3.26Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.13Å
161Y83.7Confident76.1Confident124 Ų124116.2 Ų116.249%0.48659%0.585SS.*Hα-helixtrans-63.7-55.3173.6-179-86.1000110.1V157 E158 H159 Q163 K164 F165V157-Y161 VanDerWaalsContact O-CB 3.28Å; V157-Y161 WeakPolarHBondContact O-CB 2.86Å; V157-Y161 PolarHBondContact O-N 3.37Å; E158-Y161 WeakPolarHBondContact O-CB 3.48Å; E158-Y161 PolarHBondContact O-N 3.46Å; H159-Y161 VanDerWaalsContact C-N 3.27Å; H159-Y161 PolarHBondContact O-N 3.47Å; Y161-Q163 VanDerWaalsContact C-N 3.28Å; Y161-Q163 PolarHBondContact O-N 3.08Å; Y161-K164 PolarHBondContact O-N 3.09Å; Y161-K164 VanDerWaalsContact O-N 3.11Å; Y161-F165 AromaticContact CD1-CD2 3.7Å; Y161-F165 HydrophobicContact CD1-CD2 3.7Å; Y161-F165 HydrophobicContact CD1-CE2 4.04Å; Y161-F165 HydrophobicContact CD2-CD2 4Å; Y161-F165 AromaticContact CD2-CE2 3.52Å; Y161-F165 HydrophobicContact CD2-CE2 3.52Å; Y161-F165 AromaticContact CE1-CD2 3.45Å; Y161-F165 HydrophobicContact CE1-CD2 3.45Å; Y161-F165 VanDerWaalsContact CE1-CD2 3.45Å; Y161-F165 AromaticContact CE1-CE2 3.65Å; Y161-F165 HydrophobicContact CE1-CE2 3.65Å; Y161-F165 HydrophobicContact CE1-CG 4.32Å; Y161-F165 AromaticContact CE2-CD2 3.81Å; Y161-F165 HydrophobicContact CE2-CD2 3.81Å; Y161-F165 AromaticContact CE2-CE2 3.1Å; Y161-F165 HydrophobicContact CE2-CE2 3.1Å; Y161-F165 AromaticContact CE2-CZ 3.85Å; Y161-F165 HydrophobicContact CE2-CZ 3.85Å; Y161-F165 AromaticContact CG-CD2 3.95Å; Y161-F165 HydrophobicContact CG-CD2 3.95Å; Y161-F165 AromaticContact CG-CE2 3.97Å; Y161-F165 HydrophobicContact CG-CE2 3.97Å; Y161-F165 AromaticContact CZ-CD2 3.49Å; Y161-F165 VanDerWaalsContact CZ-CD2 3.49Å; Y161-F165 AromaticContact CZ-CE2 3.15Å; Y161-F165 AromaticContact CZ-CZ 3.8Å; Y161-F165 WeakPolarHBondContact O-CD2 3.37Å; Y161-F165 PolarHBondContact O-N 2.91Å; Y161-F165 VanDerWaalsContact O-N 3.12Å
162L84.9Confident73.9Confident117 Ų117119.3 Ų119.361%0.61360%0.604SS**Hα-helixtrans-57.3-41.3-179.5-70.2172.9000112.3E158 H159 K164 F165 S166E158-L162 WeakPolarHBondContact O-CG 3.36Å; E158-L162 PolarHBondContact O-N 3.22Å; H159-L162 PolarHBondContact O-N 2.99Å; L162-K164 PolarHBondContact O-N 2.97Å; L162-F165 PolarHBondContact O-N 2.73Å; L162-S166 WeakPolarHBondContact O-CB 3.37Å; L162-S166 PolarHBondContact O-N 3.11Å
163Q85.3Confident71.7Confident116 Ų116116.7 Ų116.754%0.54261%0.606SS.*Hα-helixtrans-60.1-46.3176.7-171.9176.98.500112H159 Y161 F165 S166 T167H159-Q163 WeakPolarHBondContact O-CB 3.33Å; H159-Q163 PolarHBondContact O-N 2.72Å; Y161-Q163 VanDerWaalsContact C-N 3.28Å; Y161-Q163 PolarHBondContact O-N 3.08Å; Q163-F165 VanDerWaalsContact C-N 3.29Å; Q163-F165 PolarHBondContact O-N 3.05Å; Q163-S166 PolarHBondContact O-N 2.96Å; Q163-T167 WeakPolarHBondContact O-CG2 3.5Å; Q163-T167 PolarHBondContact O-N 3.14Å; Q163-T167 PolarHBondContact O-OG1 3.06Å
164K82.4Confident69.5Low148 Ų148117 Ų11764%0.64362%0.615SS**Hα-helixtrans-63.9-31.5178.6-72.9172.2-175.91780113.2E160 Y161 L162E160-K164 VanDerWaalsContact O-CG 3.26Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.13Å; Y161-K164 PolarHBondContact O-N 3.09Å; Y161-K164 VanDerWaalsContact O-N 3.11Å; L162-K164 PolarHBondContact O-N 2.97Å
165F75.3Confident67.1Low126 Ų126121.1 Ų121.155%0.55363%0.631SS**Hα-helixtrans-85.8-28178-76.1-79.5000113.2Y161 L162 Q163Y161-F165 AromaticContact CD1-CD2 3.7Å; Y161-F165 HydrophobicContact CD1-CD2 3.7Å; Y161-F165 HydrophobicContact CD1-CE2 4.04Å; Y161-F165 HydrophobicContact CD2-CD2 4Å; Y161-F165 AromaticContact CD2-CE2 3.52Å; Y161-F165 HydrophobicContact CD2-CE2 3.52Å; Y161-F165 AromaticContact CE1-CD2 3.45Å; Y161-F165 HydrophobicContact CE1-CD2 3.45Å; Y161-F165 VanDerWaalsContact CE1-CD2 3.45Å; Y161-F165 AromaticContact CE1-CE2 3.65Å; Y161-F165 HydrophobicContact CE1-CE2 3.65Å; Y161-F165 HydrophobicContact CE1-CG 4.32Å; Y161-F165 AromaticContact CE2-CD2 3.81Å; Y161-F165 HydrophobicContact CE2-CD2 3.81Å; Y161-F165 AromaticContact CE2-CE2 3.1Å; Y161-F165 HydrophobicContact CE2-CE2 3.1Å; Y161-F165 AromaticContact CE2-CZ 3.85Å; Y161-F165 HydrophobicContact CE2-CZ 3.85Å; Y161-F165 AromaticContact CG-CD2 3.95Å; Y161-F165 HydrophobicContact CG-CD2 3.95Å; Y161-F165 AromaticContact CG-CE2 3.97Å; Y161-F165 HydrophobicContact CG-CE2 3.97Å; Y161-F165 AromaticContact CZ-CD2 3.49Å; Y161-F165 VanDerWaalsContact CZ-CD2 3.49Å; Y161-F165 AromaticContact CZ-CE2 3.15Å; Y161-F165 AromaticContact CZ-CZ 3.8Å; Y161-F165 WeakPolarHBondContact O-CD2 3.37Å; Y161-F165 PolarHBondContact O-N 2.91Å; Y161-F165 VanDerWaalsContact O-N 3.12Å; L162-F165 PolarHBondContact O-N 2.73Å; Q163-F165 VanDerWaalsContact C-N 3.29Å; Q163-F165 PolarHBondContact O-N 3.05Å
166S68.4Low64.8Low94 Ų94118.3 Ų118.366%0.65763%0.633SS**Hα-helixtrans-76.9-29.7179.8-153.40000113L162 Q163 N168L162-S166 WeakPolarHBondContact O-CB 3.37Å; L162-S166 PolarHBondContact O-N 3.11Å; Q163-S166 PolarHBondContact O-N 2.96Å; S166-N168 PolarHBondContact O-N 3.02Å
167T59.3Low62.1Low95 Ų95117.1 Ų117.158%0.58364%0.642SS**THydrogen-bonded Turntrans-76.8-4.9179.855.50000114.3Q163 C169Q163-T167 WeakPolarHBondContact O-CG2 3.5Å; Q163-T167 PolarHBondContact O-N 3.14Å; Q163-T167 PolarHBondContact O-OG1 3.06Å; T167-C169 VanDerWaalsContact C-N 3.27Å; T167-C169 PolarHBondContact O-N 3.21Å
168N52.4Low59.5Low143 Ų143120.5 Ų120.577%0.76566%0.656SS**THydrogen-bonded Turntrans-88.29.5-179-149.721.6000113.9S166S166-N168 PolarHBondContact O-N 3.02Å
169C44.6Very low57Low108 Ų108122.4 Ų122.473%0.7367%0.669SS**  trans-100.864.7170.5-66.90000109.9T167 T171T167-C169 VanDerWaalsContact C-N 3.27Å; T167-C169 PolarHBondContact O-N 3.21Å; C169-T171 PolarHBondContact O-N 2.86Å
170Q46Very low54.5Low179 Ų179121.5 Ų121.584%0.83667%0.674SS**  trans-74.688.2158.7-72.9-172.631.100107.8S172Q170-S172 PolarHBondContact O-N 3.06Å; Q170-S172 VanDerWaalsContact O-N 3.07Å
171T40.6Very low51.8Low118 Ų118123.6 Ų123.672%0.72470%0.697SS**  trans7.287.513631.10000115.1C169 V173C169-T171 PolarHBondContact O-N 2.86Å; T171-V173 HydrophobicContact CG2-CG2 4.32Å; T171-V173 PolarHBondContact O-N 2.83Å; T171-V173 VanDerWaalsContact O-N 3.15Å
172S40.2Very low49.3Very low112 Ų112123.4 Ų123.478%0.78371%0.711SS**  trans-70.287.7141.455.90000106.4Q170 P174Q170-S172 PolarHBondContact O-N 3.06Å; Q170-S172 VanDerWaalsContact O-N 3.07Å; S172-P174 VanDerWaalsContact O-CD 3.3Å; S172-P174 WeakPolarHBondContact O-CD 3.28Å
173V42.2Very low46.6Very low110 Ų110123.1 Ų123.167%0.66772%0.719SS**  trans-65.5119165.4179.10000105.8T171 D175T171-V173 HydrophobicContact CG2-CG2 4.32Å; T171-V173 PolarHBondContact O-N 2.83Å; T171-V173 VanDerWaalsContact O-N 3.15Å; V173-D175 PolarHBondContact O-N 3.1Å
174P42.9Very low44.3Very low108 Ų108124.3 Ų124.370%0.70173%0.734SS**  trans-72112.7173.925.2-20.9000107S172 P176S172-P174 VanDerWaalsContact O-CD 3.3Å; S172-P174 WeakPolarHBondContact O-CD 3.28Å; P174-P176 WeakPolarHBondContact O-CD 3.41Å; P174-P176 WeakPolarHBondContact O-CG 3.42Å; P174-P176 VanDerWaalsContact O-N 3.09Å
175D35.8Very low41.7Very low150 Ų150121.9 Ų121.980%0.80274%0.741SS**  trans-41.6102.1171.8-158.37.7000111.3V173V173-D175 PolarHBondContact O-N 3.1Å
176P39.4Very low39.7Very low97 Ų97121.7 Ų121.763%0.6376%0.755SS**  trans-100.8120.1171.920.70.2000108.4P174P174-P176 WeakPolarHBondContact O-CD 3.41Å; P174-P176 WeakPolarHBondContact O-CG 3.42Å; P174-P176 VanDerWaalsContact O-N 3.09Å
177S36.7Very low38Very low107 Ų107123.8 Ų123.875%0.74877%0.765SS**  trans61.694.6159.2500000116.5L179S177-L179 PolarHBondContact O-N 3.36Å; S177-L179 VanDerWaalsContact O-N 3.15Å
178I31.9Very low36.5Very low155 Ų155124.1 Ų124.180%0.79577%0.771SS**  trans-44110.6148.1-61.3159.6000109.5
179L33Very low35.6Very low162 Ų162123.8 Ų123.885%0.84877%0.773SS**  trans-149.4111.7151.1-107158000107.6S177S177-L179 PolarHBondContact O-N 3.36Å; S177-L179 VanDerWaalsContact O-N 3.15Å
180P31Very low35Very low108 Ų108127.7 Ų127.770%0.70178%0.778SS**  trans-86.2129.3-174.931.6-29.1000110.4
181S31.6Very low34.4Very low119 Ų119124.1 Ų124.183%0.83277%0.773SS**  trans-149.6142.8151-88.50000111.6
182P32Very low33.7Very low119 Ų119125.3 Ų125.377%0.77378%0.775SS**  trans-104.9164.8-155.235.1-22.5000113.2
183S27.7Very low33.3Very low112 Ų112127.5 Ų127.578%0.78378%0.777SS**  trans77.799.9156.9-163.40000116.9
184V36.2Very low32.6Very low141 Ų141127.4 Ų127.486%0.85578%0.781SS**  -160.4132.2107.9-121.40000110.1
185A28.1Very low32.1Very low96 Ų96130.3 Ų130.379%0.79379%0.785SS**  trans-67.8136.8176.100000111.2
186S34.6Very low31.7Very low122 Ų122128.7 Ų128.785%0.85379%0.786SS**  trans-149.4131.8158.8-74.60000110.4
187T32Very low31.3Very low139 Ų139131.7 Ų131.785%0.85380%0.795SS**  trans-67.8133.2-156.8-30.50000113.6
188S28.6Very low30.7Very low102 Ų102135 Ų13571%0.71380%0.795SS**  trans-77.6121.5173.4177.60000110.4
189V31.8Very low30.5Very low135 Ų135134.5 Ų134.582%0.81879%0.794SS**  trans-112.5101.3165.6-76.20000108.8
190K32.4Very low30.1Very low190 Ų190134.7 Ų134.783%0.82679%0.79SS**  trans-71.8121.4165.7-76.4177.9174.9178.40108
191S33.1Very low30Very low104 Ų104135.9 Ų135.973%0.72779%0.789SS**  trans-106.4108.2166.142.40000108.6L193S191-L193 PolarHBondContact O-N 3.19Å
192D26.9Very low29.7Very low144 Ų144135.4 Ų135.477%0.7779%0.786SS**  trans-75.8113.8170.8-73.4-38.8000108.7
193L32.4Very low29.5Very low158 Ų158134.8 Ų134.883%0.82778%0.781SS**  trans-106.979.9169-68177.4000109S191S191-L193 PolarHBondContact O-N 3.19Å
194S27.3Very low29.5Very low107 Ų107136.4 Ų136.475%0.74878%0.78SS**  trans-106.958172.547.10000110S196S194-S196 PolarHBondContact O-N 3.45Å
195E31.4Very low29.2Very low169 Ų169138.5 Ų138.579%0.7978%0.781SS**  trans-92.8108.6-179-154.8159.4-154.500111.6I197E195-I197 PolarHBondContact O-N 3.49Å; E195-I197 VanDerWaalsContact O-N 3.13Å
196S28.3Very low29Very low116 Ų116141.1 Ų141.181%0.81178%0.781SS**  trans-71.195.5175.1-66.80000109.9S194 K198S194-S196 PolarHBondContact O-N 3.45Å; S196-K198 PolarHBondContact O-N 3.21Å
197I31.2Very low28.7Very low161 Ų161142.6 Ų142.683%0.82678%0.778SS**  trans-74.994.6176.8-58.9176.2000109.1E195E195-I197 PolarHBondContact O-N 3.49Å; E195-I197 VanDerWaalsContact O-N 3.13Å
198K24Very low28.4Very low175 Ų175142.8 Ų142.876%0.76177%0.774SS**  trans-68.1127.5167.8-171.7-175.7175.5-152.80108.6S196 E200S196-K198 PolarHBondContact O-N 3.21Å; K198-E200 PolarHBondContact O-N 3.06Å
199L26.2Very low28.2Very low145 Ų145144.4 Ų144.476%0.75978%0.779SS**  trans-67.9101-175.5-164.878.3000111.1I201L199-I201 HydrophobicContact CD2-CD1 3.9Å; L199-I201 HydrophobicContact CD2-CG1 4.43Å; L199-I201 HydrophobicContact CG-CD1 4.17Å; L199-I201 HydrophobicContact CG-CG1 4.14Å
200E26.3Very low27.9Very low166 Ų166145.2 Ų145.278%0.77678%0.778SS**  trans-102.598.1161.6-67-150.7162.700109.1K198 S202K198-E200 PolarHBondContact O-N 3.06Å; E200-S202 VanDerWaalsContact C-N 3.32Å; E200-S202 PolarHBondContact O-N 3.37Å; E200-S202 VanDerWaalsContact O-N 3.12Å
201I28.9Very low27.6Very low133 Ų133141 Ų14168%0.68277%0.77SS**  trans-7793.5166.3-64.8158.3000105L199 T203L199-I201 HydrophobicContact CD2-CD1 3.9Å; L199-I201 HydrophobicContact CD2-CG1 4.43Å; L199-I201 HydrophobicContact CG-CD1 4.17Å; L199-I201 HydrophobicContact CG-CG1 4.14Å; I201-T203 PolarHBondContact O-N 3.47Å
202S25.1Very low27.2Very low110 Ų110142.7 Ų142.777%0.76978%0.776SS**  trans-61.6102.8164.3-96.40000108.2E200E200-S202 VanDerWaalsContact C-N 3.32Å; E200-S202 PolarHBondContact O-N 3.37Å; E200-S202 VanDerWaalsContact O-N 3.12Å
203T26.8Very low27.4Very low106 Ų106140.8 Ų140.865%0.6577%0.774SS**  trans-53.2149.3153.142.90000109.3I201I201-T203 PolarHBondContact O-N 3.47Å
204N26.9Very low27.1Very low146 Ų146141.3 Ų141.378%0.78177%0.772SS**  trans102.967.6176.7-46.9-33.1000114.7
205Q30.2Very low27.2Very low184 Ų184144.9 Ų144.986%0.8678%0.777SS**  trans-133.4107.7142-72.6-166.4-15.600107.9I207Q205-I207 PolarHBondContact O-N 2.89Å
206D25.4Very low26.9Very low151 Ų151144.2 Ų144.281%0.80778%0.779SS**  trans-53.1103.3167.1-62.3-58.8000108.4N208D206-N208 VanDerWaalsContact C-N 3.27Å; D206-N208 PolarHBondContact O-N 3.25Å
207I27.4Very low26.9Very low154 Ų154142.8 Ų142.879%0.7977%0.769SS**  trans-72.896.1169.7-61175.7000105.3Q205 V209Q205-I207 PolarHBondContact O-N 2.89Å; I207-V209 PolarHBondContact O-N 3.1Å
208N26.3Very low26.6Very low143 Ų143144.1 Ų144.177%0.76577%0.774SS**  trans-49.4108.1168-89.7-16.1000108.8D206 L210D206-N208 VanDerWaalsContact C-N 3.27Å; D206-N208 PolarHBondContact O-N 3.25Å; N208-L210 VanDerWaalsContact C-N 3.33Å; N208-L210 PolarHBondContact O-N 2.99Å
209V24.5Very low26.9Very low135 Ų135144 Ų14482%0.81878%0.775SS**  trans-7193.1171.1-179.80000106.2I207I207-V209 PolarHBondContact O-N 3.1Å
210L24.1Very low27Very low153 Ų153141.3 Ų141.380%0.80177%0.769SS**  trans-70.1127.9175.5-150.876.8000108.6N208N208-L210 VanDerWaalsContact C-N 3.33Å; N208-L210 PolarHBondContact O-N 2.99Å
211P26.2Very low27.4Very low101 Ų101140.9 Ų140.966%0.65677%0.772SS**  trans-68.4135.7-174.3-14.928.8000111.6S213P211-S213 PolarHBondContact O-N 3.27Å
212V26.4Very low27.6Very low140 Ų140142.9 Ų142.985%0.84878%0.778SS**  trans-72.393.6170.9176.60000108
213S29.3Very low28.2Very low103 Ų103143.2 Ų143.272%0.7278%0.781SS**  trans-82.9112.2169.3-60.40000109.2P211 E215P211-S213 PolarHBondContact O-N 3.27Å; S213-E215 PolarHBondContact O-N 3.27Å; S213-E215 VanDerWaalsContact O-N 3.16Å
214Q27.6Very low28.7Very low169 Ų169143 Ų14379%0.7978%0.779SS**  trans-72.594.3169.8-81.7175.2-88.600109.5
215E28.2Very low29.5Very low182 Ų182140.4 Ų140.485%0.8578%0.778SS**  trans-99.8104158.9-75.2-167.8164.500109.2S213 S217S213-E215 PolarHBondContact O-N 3.27Å; S213-E215 VanDerWaalsContact O-N 3.16Å; E215-S217 PolarHBondContact O-N 2.94Å; E215-S217 VanDerWaalsContact O-N 3.09Å
216N26.4Very low30.2Very low155 Ų155141.4 Ų141.483%0.82978%0.775SS**  trans-68.994.7170.2-71-18.2000108.5
217S27.3Very low31.5Very low87 Ų87141.6 Ų141.661%0.60877%0.771SS**  trans-122.2112.6163.4-168.10000109.7E215 H219E215-S217 PolarHBondContact O-N 2.94Å; E215-S217 VanDerWaalsContact O-N 3.09Å; S217-H219 VanDerWaalsContact C-N 3.3Å; S217-H219 PolarHBondContact O-N 3.3Å
218M25Very low32.6Very low189 Ų189136.7 Ų136.793%0.93175%0.751SS**  trans-6685.4176.1-73175.967.900109.5
219H29.7Very low34.1Very low171 Ų171138 Ų13879%0.79275%0.746SS**  trans-110.3110.7162.1-78.8-55.8000110.3S217S217-H219 VanDerWaalsContact C-N 3.3Å; S217-H219 PolarHBondContact O-N 3.3Å
220S29.4Very low36.3Very low90 Ų90135 Ų13563%0.62973%0.726SS**  trans-66.2140.7-179.858.50000111.5
221N33.8Very low38.2Very low156 Ų156130.2 Ų130.283%0.83471%0.708SS**  trans1039144.8-44.1-25.1000120.5
222E33.5Very low40.3Very low175 Ų175127.5 Ų127.582%0.81869%0.688SS**  trans-102.997.8169.5-154.7162.7-165.900109.7V224E222-V224 HydrophobicContact CG-CG2 4.5Å; E222-V224 PolarHBondContact O-N 2.96Å
223S37.1Very low42.4Very low118 Ų118123.5 Ų123.583%0.82566%0.662SS**  trans-68.978.9172.567.80000108.7A225S223-A225 PolarHBondContact O-N 3.36Å
224V38.7Very low44.3Very low100 Ų100122.4 Ų122.461%0.60665%0.648SS**  trans-59.4111.4170.5177.90000106.1E222 Y226E222-V224 HydrophobicContact CG-CG2 4.5Å; E222-V224 PolarHBondContact O-N 2.96Å; V224-Y226 VanDerWaalsContact C-N 3.28Å; V224-Y226 PolarHBondContact O-N 3.46Å
225A42.2Very low46.3Very low92 Ų92116.9 Ų116.976%0.7663%0.628SS**  trans-63.692.7176.200000108.1S223 Q227S223-A225 PolarHBondContact O-N 3.36Å; A225-Q227 PolarHBondContact O-N 3.18Å; A225-Q227 VanDerWaalsContact O-N 3.11Å
226Y45.1Very low48.6Very low205 Ų205112.2 Ų112.280%0.80460%0.602SS**  trans-56.2119.8169.5-86.1-90.3000107.7V224 S228V224-Y226 VanDerWaalsContact C-N 3.28Å; V224-Y226 PolarHBondContact O-N 3.46Å; Y226-S228 PolarHBondContact O-N 3Å
227Q52.5Low50.9Low155 Ų155110.3 Ų110.372%0.72459%0.592SS**  trans-60.4108.2166.6-73.4177.28.100106.6A225 Y229A225-Q227 PolarHBondContact O-N 3.18Å; A225-Q227 VanDerWaalsContact O-N 3.11Å; Q227-Y229 PolarHBondContact O-N 2.94Å
228S51.1Low53.2Low51 Ų51113.1 Ų113.136%0.35759%0.59SS.*  trans-60.3112.2176.6-174.50000107.8Y226 D230 D233Y226-S228 PolarHBondContact O-N 3Å; S228-D230 PolarHBondContact O-N 2.82Å; S228-D233 WeakPolarHBondContact CB-OD2 3.18Å; S228-D233 PolarHBondContact OG-OD2 2.89Å
229Y58.3Low55.5Low170 Ų170107.5 Ų107.567%0.66756%0.558SS**  trans-77.132.1171.2-61.3-68.7000110.8R147 Q227R147-Y229 VanDerWaalsContact NH1-C 3.29Å; R147-Y229 PolarHBondContact NH1-O 3.37Å; R147-Y229 PolarHBondContact NH2-O 3.18Å; Q227-Y229 PolarHBondContact O-N 2.94Å
230D70.7Confident57.7Low73 Ų73106.4 Ų106.439%0.3955%0.547SS..  trans-97.2124169.9-173.95.7000109.6S228 L232 D233 D234S228-D230 PolarHBondContact O-N 2.82Å; D230-L232 PolarHBondContact O-N 3.41Å; D230-L232 VanDerWaalsContact O-N 3.14Å; D230-L232 PolarHBondContact OD1-N 3.33Å; D230-D233 HydrophobicContact CB-CB 4.22Å; D230-D233 PolarHBondContact O-N 2.94Å; D230-D233 VanDerWaalsContact O-N 3.08Å; D230-D234 PolarHBondContact O-N 3.42Å
231A64.8Low60Low52 Ų52111.2 Ų111.243%0.4356%0.557SS.*Hα-helixtrans-59-27.5177.300000112.1S235A231-S235 WeakPolarHBondContact O-CB 3.26Å; A231-S235 PolarHBondContact O-N 3.14Å; A231-S235 PolarHBondContact O-OG 2.94Å
232L68.4Low61.8Low44 Ų44107.6 Ų107.623%0.2354%0.537CS..Hα-helixtrans-74.7-37.5178.1-164.3133.4000111.9D230 S235 R236D230-L232 PolarHBondContact O-N 3.41Å; D230-L232 VanDerWaalsContact O-N 3.14Å; D230-L232 PolarHBondContact OD1-N 3.33Å; L232-S235 WeakPolarHBondContact O-CB 3.36Å; L232-S235 PolarHBondContact O-N 3.41Å; L232-R236 VanDerWaalsContact CD2-NE 3.35Å; L232-R236 WeakPolarHBondContact O-CG 3.37Å; L232-R236 PolarHBondContact O-N 2.96Å
233D70.8Confident63.5Low56 Ų56102.5 Ų102.530%0.29953%0.532SS..Hα-helixtrans-70.8-40.6173.3-74.4-18.6000111.9S228 D230 S235 R236 L237S228-D233 WeakPolarHBondContact CB-OD2 3.18Å; S228-D233 PolarHBondContact OG-OD2 2.89Å; D230-D233 HydrophobicContact CB-CB 4.22Å; D230-D233 PolarHBondContact O-N 2.94Å; D230-D233 VanDerWaalsContact O-N 3.08Å; D233-S235 PolarHBondContact O-N 3.29Å; D233-R236 WeakPolarHBondContact O-CB 3.3Å; D233-R236 PolarHBondContact O-N 3.34Å; D233-R236 VanDerWaalsContact O-N 3.14Å; D233-R236 IonicContact OD1-CZ 3.89Å; D233-R236 IonicContact OD1-NH1 3.04Å; D233-R236 PolarHBondContact OD1-NH1 3.48Å; D233-L237 WeakPolarHBondContact O-CB 3.4Å; D233-L237 PolarHBondContact O-N 3.2Å
234D70.4Confident64.8Low81 Ų8198.6 Ų98.643%0.43350%0.501SS..Hα-helixtrans-56.4-42.2171.5-75.1-23.8000111.2D230 L237 Y238D230-D234 PolarHBondContact O-N 3.42Å; D234-L237 PolarHBondContact O-N 2.92Å; D234-Y238 WeakPolarHBondContact O-CB 3.31Å; D234-Y238 PolarHBondContact O-N 3.47Å
235S68.6Low66.1Low52 Ų5299.4 Ų99.436%0.36451%0.506SS..Hα-helixtrans-65.1-46.7176.1-60.70000111.2A231 L232 D233 L237 Y238 W239A231-S235 WeakPolarHBondContact O-CB 3.26Å; A231-S235 PolarHBondContact O-N 3.14Å; A231-S235 PolarHBondContact O-OG 2.94Å; L232-S235 WeakPolarHBondContact O-CB 3.36Å; L232-S235 PolarHBondContact O-N 3.41Å; D233-S235 PolarHBondContact O-N 3.29Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-L237 PolarHBondContact O-N 3.44Å; S235-Y238 PolarHBondContact O-N 2.74Å; S235-W239 PolarHBondContact O-N 3.02Å
236R76Confident67Low84 Ų8497.8 Ų97.832%0.31748%0.484SS..Hα-helixtrans-58-43.9176-75170.3175.6156.4-1.1111.2L232 D233 W239 R240 L295L232-R236 VanDerWaalsContact CD2-NE 3.35Å; L232-R236 WeakPolarHBondContact O-CG 3.37Å; L232-R236 PolarHBondContact O-N 2.96Å; D233-R236 WeakPolarHBondContact O-CB 3.3Å; D233-R236 PolarHBondContact O-N 3.34Å; D233-R236 VanDerWaalsContact O-N 3.14Å; D233-R236 IonicContact OD1-CZ 3.89Å; D233-R236 IonicContact OD1-NH1 3.04Å; D233-R236 PolarHBondContact OD1-NH1 3.48Å; R236-W239 PolarHBondContact O-N 3.45Å; R236-R240 VanDerWaalsContact O-CB 3.3Å; R236-R240 WeakPolarHBondContact O-CB 3.42Å; R236-R240 PolarHBondContact O-N 2.87Å; R236-L295 HydrophobicContact CG-CD2 4.14Å; R236-L295 PolarHBondContact NE-O 2.88Å; R236-L295 PolarHBondContact NH2-O 3.24Å
237L75.5Confident67.1Low116 Ų11696.4 Ų96.461%0.60748%0.483SS*.Hα-helixtrans-65.8-42.4179-172.166.5000111.7D233 D234 S235 W239 R240 K241D233-L237 WeakPolarHBondContact O-CB 3.4Å; D233-L237 PolarHBondContact O-N 3.2Å; D234-L237 PolarHBondContact O-N 2.92Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-L237 PolarHBondContact O-N 3.44Å; L237-W239 PolarHBondContact O-N 3.15Å; L237-R240 PolarHBondContact O-N 3.49Å; L237-K241 WeakPolarHBondContact O-CB 3.45Å; L237-K241 PolarHBondContact O-N 2.79Å
238Y76.5Confident66.6Low145 Ų14594.7 Ų94.757%0.56948%0.479SS*.Hα-helixtrans-57.2-48.6174.6174.7-96.2000111.7D234 S235 K241 L242D234-Y238 WeakPolarHBondContact O-CB 3.31Å; D234-Y238 PolarHBondContact O-N 3.47Å; S235-Y238 PolarHBondContact O-N 2.74Å; Y238-K241 PolarHBondContact O-N 2.94Å; Y238-L242 HydrophobicContact CD1-CD1 3.79Å; Y238-L242 HydrophobicContact CE1-CD1 3.28Å; Y238-L242 HydrophobicContact CE2-CD1 4.36Å; Y238-L242 PolarHBondContact O-N 2.98Å; Y238-L242 VanDerWaalsContact O-N 3.14Å
239W73.6Confident66.1Low71 Ų71101 Ų10127%0.26950%0.5SS..Hα-helixtrans-68.8-35.2177.5-71.3108.5000112.1S235 R236 L237 K241 L242 I244 V291 L295S235-W239 PolarHBondContact O-N 3.02Å; R236-W239 PolarHBondContact O-N 3.45Å; L237-W239 PolarHBondContact O-N 3.15Å; W239-K241 VanDerWaalsContact C-N 3.33Å; W239-K241 PolarHBondContact O-N 3.26Å; W239-L242 HydrophobicContact CD2-CD1 4.5Å; W239-L242 HydrophobicContact CE3-CD1 3.87Å; W239-L242 HydrophobicContact CZ3-CD1 4.23Å; W239-L242 WeakPolarHBondContact O-CB 3.26Å; W239-L242 PolarHBondContact O-N 3.32Å; W239-L242 VanDerWaalsContact O-N 3.16Å; W239-I244 HydrophobicContact CB-CD1 4.15Å; W239-I244 HydrophobicContact CD2-CD1 4.23Å; W239-I244 HydrophobicContact CE3-CD1 3.34Å; W239-I244 HydrophobicContact CZ3-CD1 4.06Å; W239-I244 WeakPolarHBondContact O-CB 3.36Å; W239-I244 PolarHBondContact O-N 3.39Å; W239-V291 HydrophobicContact CD2-CG1 4.14Å; W239-V291 VanDerWaalsContact CE2-CG1 3.46Å; W239-V291 HydrophobicContact CH2-CG1 4.24Å; W239-V291 HydrophobicContact CZ2-CB 4.44Å; W239-V291 HydrophobicContact CZ2-CG1 3.53Å; W239-V291 HydrophobicContact CZ2-CG2 4.11Å; W239-L295 HydrophobicContact CB-CD1 4.22Å; W239-L295 HydrophobicContact CG-CD1 3.94Å
240R75.5Confident65.1Low148 Ų148100.9 Ų100.956%0.55851%0.505SS*.Hα-helixtrans-62.4-40.2172.8-160-179.8-172.8107.5-1.1111.9R236 L237 L242 G243 I244R236-R240 VanDerWaalsContact O-CB 3.3Å; R236-R240 WeakPolarHBondContact O-CB 3.42Å; R236-R240 PolarHBondContact O-N 2.87Å; L237-R240 PolarHBondContact O-N 3.49Å; R240-L242 VanDerWaalsContact C-N 3.25Å; R240-L242 PolarHBondContact O-N 3.34Å; R240-G243 WeakPolarHBondContact O-CA 3.39Å; R240-G243 PolarHBondContact O-N 2.69Å; R240-I244 WeakPolarHBondContact CA-O 3.27Å
241K76.6Confident63.2Low191 Ų191105.9 Ų105.983%0.8353%0.526SS*.Hα-helixtrans-65.9-26.5175.3-169.4173.9-177.7176.70112.8L237 Y238 W239 G243L237-K241 WeakPolarHBondContact O-CB 3.45Å; L237-K241 PolarHBondContact O-N 2.79Å; Y238-K241 PolarHBondContact O-N 2.94Å; W239-K241 VanDerWaalsContact C-N 3.33Å; W239-K241 PolarHBondContact O-N 3.26Å; K241-G243 PolarHBondContact O-N 2.89Å
242L72.6Confident61.5Low81 Ų81108.9 Ų108.942%0.42454%0.539SS..THydrogen-bonded Turntrans-786.6169.5-79.9154.8000113.6Y238 W239 R240 I244Y238-L242 HydrophobicContact CD1-CD1 3.79Å; Y238-L242 HydrophobicContact CE1-CD1 3.28Å; Y238-L242 HydrophobicContact CE2-CD1 4.36Å; Y238-L242 PolarHBondContact O-N 2.98Å; Y238-L242 VanDerWaalsContact O-N 3.14Å; W239-L242 HydrophobicContact CD2-CD1 4.5Å; W239-L242 HydrophobicContact CE3-CD1 3.87Å; W239-L242 HydrophobicContact CZ3-CD1 4.23Å; W239-L242 WeakPolarHBondContact O-CB 3.26Å; W239-L242 PolarHBondContact O-N 3.32Å; W239-L242 VanDerWaalsContact O-N 3.16Å; R240-L242 VanDerWaalsContact C-N 3.25Å; R240-L242 PolarHBondContact O-N 3.34Å; L242-I244 HydrophobicContact CB-CD1 4.26Å
243G69.3Low59.4Low68 Ų68111 Ų11170%0.70156%0.563SS**THydrogen-bonded Turntrans87.319.8176.500000114.7R240 K241R240-G243 WeakPolarHBondContact O-CA 3.39Å; R240-G243 PolarHBondContact O-N 2.69Å; K241-G243 PolarHBondContact O-N 2.89Å
244I64.6Low57.2Low36 Ų36113 Ų11319%0.18558%0.58CS.*  trans-99.1126.3-179.3-65.2145000110.9W239 R240 L242 V287W239-I244 HydrophobicContact CB-CD1 4.15Å; W239-I244 HydrophobicContact CD2-CD1 4.23Å; W239-I244 HydrophobicContact CE3-CD1 3.34Å; W239-I244 HydrophobicContact CZ3-CD1 4.06Å; W239-I244 WeakPolarHBondContact O-CB 3.36Å; W239-I244 PolarHBondContact O-N 3.39Å; R240-I244 WeakPolarHBondContact CA-O 3.27Å; L242-I244 HydrophobicContact CB-CD1 4.26Å; I244-V287 HydrophobicContact CB-CG2 4.32Å; I244-V287 HydrophobicContact CD1-CG2 3.3Å; I244-V287 HydrophobicContact CG1-CG2 3.58Å; I244-V287 HydrophobicContact CG2-CG2 3.8Å
245T65.5Low55Low116 Ų116116.3 Ų116.371%0.71260%0.598SS**  trans-88112.6165.550.60000108.7F247T245-F247 PolarHBondContact O-N 3.45Å
246L59.9Low53.1Low58 Ų58122.6 Ų122.630%0.30462%0.619SS.*  trans-67.1129.3163.5-163.588.4000106.2D248 L295L246-D248 PolarHBondContact O-N 3.48Å; L246-L295 HydrophobicContact CD1-CB 3.84Å; L246-L295 HydrophobicContact CD1-CD1 4.28Å
247F48Very low50.6Low176 Ų176124.2 Ų124.277%0.77264%0.643SS**  trans-55.1114.2173.9-77-86.2000109T245T245-F247 PolarHBondContact O-N 3.45Å
248D41.8Very low48.4Very low120 Ų120122.8 Ų122.864%0.64265%0.648SS**  trans-62.4150.6173.7-93.5-39.9000109.9L246 H250L246-D248 PolarHBondContact O-N 3.48Å; D248-H250 PolarHBondContact O-N 3.45Å
249K40Very low45.8Very low183 Ų183121.4 Ų121.480%0.79666%0.66SS**THydrogen-bonded Turntrans-61.316.4-169.7-77.1177172.9175.10116.4
250H38.5Very low43.4Very low168 Ų168124.3 Ų124.378%0.77869%0.689SS**THydrogen-bonded Turntrans-119.616.7-166.4-57.3-67.9000116.2D248D248-H250 PolarHBondContact O-N 3.45Å
251Q31.2Very low41.1Very low178 Ų178122.2 Ų122.283%0.83270%0.697SS**  trans-11151.4168.4-151.1159.368.900111.9
252T29.2Very low38.6Very low115 Ų115119.9 Ų119.971%0.70670%0.699SS**SBendtrans-96.7109.5150.1-80000105.2C254T252-C254 VanDerWaalsContact C-N 3.34Å; T252-C254 PolarHBondContact O-N 3.43Å
253A23.8Very low36.3Very low89 Ų89122.2 Ų122.274%0.73672%0.717SS**  trans-57.194.6176.200000109.9
254C24.4Very low34.3Very low97 Ų97122.3 Ų122.366%0.65571%0.712SS**  trans-97100.7160.1-66.40000105.8T252 F256T252-C254 VanDerWaalsContact C-N 3.34Å; T252-C254 PolarHBondContact O-N 3.43Å; C254-F256 HydrophobicContact CB-CD2 4.12Å; C254-F256 HydrophobicContact CB-CE2 4.45Å; C254-F256 PolarHBondContact O-N 2.84Å
255N24Very low32.3Very low150 Ų150127 Ų12780%0.80274%0.742SS**  trans-63.685.9170.1-66-23.4000108.7
256F27.9Very low30.4Very low185 Ų185127.3 Ų127.381%0.81174%0.744SS**  trans-116.8101162.2-77.3-73000108.2C254 A258C254-F256 HydrophobicContact CB-CD2 4.12Å; C254-F256 HydrophobicContact CB-CE2 4.45Å; C254-F256 PolarHBondContact O-N 2.84Å; F256-A258 PolarHBondContact O-N 3.42Å
257S24.2Very low28.7Very low117 Ų117130.4 Ų130.482%0.81877%0.765SS**  trans-53.9121.7158.752.20000110
258A29Very low27.6Very low87 Ų87126.5 Ų126.572%0.71976%0.756SS**  trans167.5115.1135.900000109.7F256F256-A258 PolarHBondContact O-N 3.42Å
259S23Very low26.9Very low116 Ų116128.2 Ų128.281%0.81177%0.765SS**  trans20.8109.9149.458.20000118.5
260C21.6Very low26.3Very low131 Ų131129.3 Ų129.389%0.88577%0.766SS**  trans-136.5126.5147.4-165.20000109.9
261S27.2Very low25.6Very low104 Ų104126.5 Ų126.573%0.72776%0.763SS**  trans-76.3134.5-171.5-49.80000111.4T263S261-T263 PolarHBondContact O-N 3.23Å
262T24.7Very low25.4Very low142 Ų142124.1 Ų124.187%0.87177%0.765SS**  trans-51.5128.3171.1-490000111.7
263T25.3Very low25.3Very low131 Ų131125.3 Ų125.380%0.80477%0.766SS**  trans-143.3121.7160.4-39.60000111.2S261S261-T263 PolarHBondContact O-N 3.23Å
264A25.9Very low25.6Very low70 Ų70125.6 Ų125.658%0.57976%0.762SS**  trans48.198.7153.500000119.6T266A264-T266 PolarHBondContact O-N 3.05Å
265T22.7Very low25.9Very low135 Ų135127.1 Ų127.183%0.82877%0.769SS**  trans-11.2113.6132.836.90000115.2
266T26.2Very low26.3Very low121 Ų121125.3 Ų125.374%0.74277%0.765SS**  trans-12098.3153.7-38.30000107.7A264 T268A264-T266 PolarHBondContact O-N 3.05Å; T266-T268 HydrophobicContact CG2-CG2 4.37Å; T266-T268 PolarHBondContact O-N 3.18Å; T266-T268 VanDerWaalsContact O-N 3.14Å
267T23.9Very low26.4Very low123 Ų123122 Ų12276%0.75576%0.764SS**  trans-71.592.7170.837.20000108.9N269T267-N269 PolarHBondContact O-N 2.77Å
268T26.2Very low26.9Very low95 Ų95122.7 Ų122.758%0.58376%0.758SS**  trans-88.2105.6168500000109T266 Y270T266-T268 HydrophobicContact CG2-CG2 4.37Å; T266-T268 PolarHBondContact O-N 3.18Å; T266-T268 VanDerWaalsContact O-N 3.14Å; T268-Y270 PolarHBondContact O-N 3.29Å
269N26.2Very low27.2Very low156 Ų156124 Ų12483%0.83475%0.753SS**  trans-63.1115.7173.1-72.3-35.3000109.7T267T267-N269 PolarHBondContact O-N 2.77Å
270Y27Very low27.9Very low205 Ų205122.6 Ų122.680%0.80474%0.743SS**  trans-76.9141.2169.9-74.6-87.6000110.1T268T268-Y270 PolarHBondContact O-N 3.29Å
271P25.1Very low28.7Very low110 Ų110122.8 Ų122.871%0.71474%0.74SS**  trans-68.7135.8177.127.1-31.4000111I273P271-I273 PolarHBondContact O-N 3.31Å
272S25.4Very low29.3Very low127 Ų127119.9 Ų119.989%0.88872%0.722SS**  trans-62.488.3177.9-52.60000111.4S274S272-S274 PolarHBondContact O-N 3.34Å
273I28.4Very low30.2Very low141 Ų141118 Ų11872%0.72371%0.712SS**  trans-71.9113.8163.4-67.1173.1000106.8P271 T275P271-I273 PolarHBondContact O-N 3.31Å; I273-T275 PolarHBondContact O-N 3.02Å
274S29.7Very low31.4Very low94 Ų94121.9 Ų121.966%0.65772%0.718SS**SBendtrans4.1106.8160.957.80000114.8S272S272-S274 PolarHBondContact O-N 3.34Å
275T29.7Very low32.8Very low130 Ų130128.6 Ų128.680%0.79873%0.728SS**  trans14.492.6158.647.50000114.2I273 C277I273-T275 PolarHBondContact O-N 3.02Å; T275-C277 PolarHBondContact O-N 3.26Å; T275-C277 VanDerWaalsContact O-N 3.15Å
276P32.2Very low34.9Very low111 Ų111127.5 Ų127.572%0.72173%0.726SS**  trans-56.9122.2160.1-9.724000105.7D278P276-D278 PolarHBondContact O-N 2.82Å
277C31.9Very low36.5Very low115 Ų115122.6 Ų122.678%0.77770%0.696SS**  trans-49.2114.2165.2-85.20000106.7T275 L279T275-C277 PolarHBondContact O-N 3.26Å; T275-C277 VanDerWaalsContact O-N 3.15Å; C277-L279 PolarHBondContact O-N 2.9Å
278D33Very low38.7Very low132 Ų132120.1 Ų120.171%0.70668%0.682SS**  trans-6983-171.2-137-28.7000107.6P276 S280P276-D278 PolarHBondContact O-N 2.82Å; D278-S280 VanDerWaalsContact CG-OG 3.31Å; D278-S280 PolarHBondContact O-N 3.48Å; D278-S280 VanDerWaalsContact OD1-CB 3.3Å; D278-S280 WeakPolarHBondContact OD1-CB 3.45Å; D278-S280 PolarHBondContact OD1-OG 3.47Å
279L35.8Very low40.6Very low115 Ų115119.8 Ų119.860%0.60268%0.676SS**G310 helixtrans-73.619.2170.5-112.684000110.8C277 V281 A282C277-L279 PolarHBondContact O-N 2.9Å; L279-V281 PolarHBondContact O-N 3.29Å; L279-A282 HydrophobicContact CD2-CB 4.23Å; L279-A282 HydrophobicContact CG-CB 4.33Å; L279-A282 WeakPolarHBondContact O-CB 3.21Å; L279-A282 PolarHBondContact O-N 3.23Å
280S37.2Very low42.3Very low87 Ų87114 Ų11461%0.60865%0.648SS**G310 helixtrans-61.9-16.4170.653.80000112.8D278D278-S280 VanDerWaalsContact CG-OG 3.31Å; D278-S280 PolarHBondContact O-N 3.48Å; D278-S280 VanDerWaalsContact OD1-CB 3.3Å; D278-S280 WeakPolarHBondContact OD1-CB 3.45Å; D278-S280 PolarHBondContact OD1-OG 3.47Å
281V39.6Very low44.3Very low134 Ų134105.7 Ų105.781%0.81262%0.619SS**G310 helixtrans-84-11.6172.6-168.20000112.5L279 P283L279-V281 PolarHBondContact O-N 3.29Å; V281-P283 WeakPolarHBondContact O-CD 3.26Å
282A38.9Very low46.4Very low44 Ų44104.4 Ų104.436%0.36460%0.603SS.*SBendtrans-74.8124.4173.200000109L279 K284L279-A282 HydrophobicContact CD2-CB 4.23Å; L279-A282 HydrophobicContact CG-CB 4.33Å; L279-A282 WeakPolarHBondContact O-CB 3.21Å; L279-A282 PolarHBondContact O-N 3.23Å; A282-K284 PolarHBondContact O-N 3.14Å
283P44Very low48.4Very low101 Ų10199.6 Ų99.666%0.65657%0.567SS**  trans-51132.4173.6-21.629.7000108.6V281 R285V281-P283 WeakPolarHBondContact O-CD 3.26Å; P283-R285 WeakPolarHBondContact O-CG 3.41Å; P283-R285 PolarHBondContact O-N 3.01Å
284K49.8Very low50.2Low213 Ų21395.6 Ų95.693%0.92655%0.554SS**  trans-5391172.3-70.7177.5-179.31760108.1A282 S286A282-K284 PolarHBondContact O-N 3.14Å; K284-S286 PolarHBondContact O-N 3.26Å
285R55.8Low52.1Low211 Ų21191.7 Ų91.780%0.79653%0.526SS*.PPolyproline II helixtrans-69.8119.3179.6-70.2-176.1-177.1158.32.6105.5P283 V287P283-R285 WeakPolarHBondContact O-CG 3.41Å; P283-R285 PolarHBondContact O-N 3.01Å; R285-V287 PolarHBondContact O-N 2.9Å; R285-V287 VanDerWaalsContact O-N 3.16Å
286S66Low54.3Low112 Ų11287.8 Ų87.878%0.78350%0.504SS*.PPolyproline II helixtrans-58.4123.3170.154.70000107.7K284K284-S286 PolarHBondContact O-N 3.26Å
287V61Low55.4Low18 Ų1886.1 Ų86.111%0.10950%0.495CS..PPolyproline II helixtrans-61.9129.2178.8-179.60000107.5I244 R285 L289 V291 Q292I244-V287 HydrophobicContact CB-CG2 4.32Å; I244-V287 HydrophobicContact CD1-CG2 3.3Å; I244-V287 HydrophobicContact CG1-CG2 3.58Å; I244-V287 HydrophobicContact CG2-CG2 3.8Å; R285-V287 PolarHBondContact O-N 2.9Å; R285-V287 VanDerWaalsContact O-N 3.16Å; V287-L289 PolarHBondContact O-N 2.88Å; V287-V291 HydrophobicContact CG1-CB 3.57Å; V287-V291 HydrophobicContact CG1-CG1 3.53Å; V287-Q292 HydrophobicContact CB-CG 3.84Å; V287-Q292 HydrophobicContact CG1-CG 3.65Å
288P70.5Confident56.1Low71 Ų7189.4 Ų89.446%0.46149%0.49SS..PPolyproline II helixtrans-53.8134.9176-2533.4000109.7S290 V291 Q292P288-S290 PolarHBondContact O-N 3.29Å; P288-V291 HydrophobicContact CB-CG2 4.19Å; P288-V291 HydrophobicContact CG-CG2 4.24Å; P288-V291 WeakPolarHBondContact O-CA 3.47Å; P288-V291 WeakPolarHBondContact O-CB 3.41Å; P288-V291 PolarHBondContact O-N 3.28Å; P288-Q292 PolarHBondContact O-N 3.28Å
289L65.7Low56.6Low88 Ų8886.8 Ų86.846%0.46148%0.481SS..Hα-helixtrans-49-36.4-179.8-176.669.7000111.9V287 V291 Q292 Q293V287-L289 PolarHBondContact O-N 2.88Å; L289-V291 VanDerWaalsContact C-N 3.32Å; L289-V291 PolarHBondContact O-N 2.85Å; L289-Q292 PolarHBondContact O-N 3.06Å; L289-Q293 HydrophobicContact CG-CG 4.45Å; L289-Q293 WeakPolarHBondContact O-CB 3.16Å; L289-Q293 VanDerWaalsContact O-CG 3.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.33Å; L289-Q293 PolarHBondContact O-N 3.3Å; L289-Q293 PolarHBondContact O-OE1 3.38Å
290S62.6Low56.7Low35 Ų3587.2 Ų87.225%0.24548%0.475CS..Hα-helixtrans-61.7-35.4176.156.40000114.1P288 A294P288-S290 PolarHBondContact O-N 3.29Å; S290-A294 WeakPolarHBondContact O-CB 3.47Å; S290-A294 PolarHBondContact O-N 3.19Å
291V67.5Low57.2Low31 Ų3189.1 Ų89.119%0.18848%0.478CS..Hα-helixtrans-74.3-44176.5174.40000109.9W239 V287 P288 L289 Q293 A294 L295W239-V291 HydrophobicContact CD2-CG1 4.14Å; W239-V291 VanDerWaalsContact CE2-CG1 3.46Å; W239-V291 HydrophobicContact CH2-CG1 4.24Å; W239-V291 HydrophobicContact CZ2-CB 4.44Å; W239-V291 HydrophobicContact CZ2-CG1 3.53Å; W239-V291 HydrophobicContact CZ2-CG2 4.11Å; V287-V291 HydrophobicContact CG1-CB 3.57Å; V287-V291 HydrophobicContact CG1-CG1 3.53Å; P288-V291 HydrophobicContact CB-CG2 4.19Å; P288-V291 HydrophobicContact CG-CG2 4.24Å; P288-V291 WeakPolarHBondContact O-CA 3.47Å; P288-V291 WeakPolarHBondContact O-CB 3.41Å; P288-V291 PolarHBondContact O-N 3.28Å; L289-V291 VanDerWaalsContact C-N 3.32Å; L289-V291 PolarHBondContact O-N 2.85Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-Q293 PolarHBondContact O-N 3.12Å; V291-A294 PolarHBondContact O-N 3.1Å; V291-L295 HydrophobicContact CG1-CD1 3.89Å; V291-L295 HydrophobicContact CG1-CG 4.3Å; V291-L295 VanDerWaalsContact O-CG 3.27Å; V291-L295 WeakPolarHBondContact O-CG 3.42Å; V291-L295 PolarHBondContact O-N 3.3Å
292Q69.2Low57.1Low82 Ų8289.7 Ų89.738%0.38347%0.472SS..Hα-helixtrans-59.2-42.1174.7-69.7-176.2-23.700111.9V287 P288 L289 L295 S296V287-Q292 HydrophobicContact CB-CG 3.84Å; V287-Q292 HydrophobicContact CG1-CG 3.65Å; P288-Q292 PolarHBondContact O-N 3.28Å; L289-Q292 PolarHBondContact O-N 3.06Å; Q292-L295 PolarHBondContact O-N 2.92Å; Q292-S296 VanDerWaalsContact O-CB 3.26Å; Q292-S296 WeakPolarHBondContact O-CB 3.2Å; Q292-S296 PolarHBondContact O-N 3.34Å; Q292-S296 PolarHBondContact O-OG 2.85Å
293Q67.2Low56.9Low27 Ų2794.3 Ų94.313%0.12649%0.49CS..Hα-helixtrans-64.2-43.1175.9-76.7168.7-26.900112.3L289 V291 S296 C297 R298L289-Q293 HydrophobicContact CG-CG 4.45Å; L289-Q293 WeakPolarHBondContact O-CB 3.16Å; L289-Q293 VanDerWaalsContact O-CG 3.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.33Å; L289-Q293 PolarHBondContact O-N 3.3Å; L289-Q293 PolarHBondContact O-OE1 3.38Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-Q293 PolarHBondContact O-N 3.12Å; Q293-S296 WeakPolarHBondContact CA-OG 3.39Å; Q293-S296 CarbonylContact O-C 3.6Å; Q293-S296 PolarHBondContact O-N 3.42Å; Q293-S296 PolarHBondContact O-OG 3.11Å; Q293-C297 WeakPolarHBondContact O-CA 3.34Å; Q293-C297 PolarHBondContact O-N 3.36Å; Q293-R298 HydrophobicContact CG-CB 4.47Å; Q293-R298 PolarHBondContact O-N 3.4Å
294A67.3Low56.4Low56 Ų5695.8 Ų95.846%0.46349%0.491SS..Hα-helixtrans-62-44.6175.900000112S290 V291 S296 C297S290-A294 WeakPolarHBondContact O-CB 3.47Å; S290-A294 PolarHBondContact O-N 3.19Å; V291-A294 PolarHBondContact O-N 3.1Å; A294-S296 VanDerWaalsContact C-N 3.32Å; A294-S296 PolarHBondContact O-N 3.49Å; A294-C297 PolarHBondContact O-N 3.14Å
295L68.7Low55.6Low12 Ų1290.9 Ų90.96%0.06348%0.484CS..Hα-helixtrans-71.2-26.1179.6-64.5173.3000113.5R236 W239 L246 V291 Q292R236-L295 HydrophobicContact CG-CD2 4.14Å; R236-L295 PolarHBondContact NE-O 2.88Å; R236-L295 PolarHBondContact NH2-O 3.24Å; W239-L295 HydrophobicContact CB-CD1 4.22Å; W239-L295 HydrophobicContact CG-CD1 3.94Å; L246-L295 HydrophobicContact CD1-CB 3.84Å; L246-L295 HydrophobicContact CD1-CD1 4.28Å; V291-L295 HydrophobicContact CG1-CD1 3.89Å; V291-L295 HydrophobicContact CG1-CG 4.3Å; V291-L295 VanDerWaalsContact O-CG 3.27Å; V291-L295 WeakPolarHBondContact O-CG 3.42Å; V291-L295 PolarHBondContact O-N 3.3Å; Q292-L295 PolarHBondContact O-N 2.92Å
296S75.8Confident54.4Low49 Ų4989 Ų8934%0.34348%0.481SS..Hα-helixtrans-93.7-3.6177.460.70000114Q292 Q293 A294 R298Q292-S296 VanDerWaalsContact O-CB 3.26Å; Q292-S296 WeakPolarHBondContact O-CB 3.2Å; Q292-S296 PolarHBondContact O-N 3.34Å; Q292-S296 PolarHBondContact O-OG 2.85Å; Q293-S296 WeakPolarHBondContact CA-OG 3.39Å; Q293-S296 CarbonylContact O-C 3.6Å; Q293-S296 PolarHBondContact O-N 3.42Å; Q293-S296 PolarHBondContact O-OG 3.11Å; A294-S296 VanDerWaalsContact C-N 3.32Å; A294-S296 PolarHBondContact O-N 3.49Å; S296-R298 PolarHBondContact O-N 2.87Å; S296-R298 WeakPolarHBondContact OG-CG 3.31Å
297C56.4Low52.7Low76 Ų7688.9 Ų88.951%0.51448%0.478SS..THydrogen-bonded Turntrans52.834.1-172-55.50000113.2Q293 A294Q293-C297 WeakPolarHBondContact O-CA 3.34Å; Q293-C297 PolarHBondContact O-N 3.36Å; A294-C297 PolarHBondContact O-N 3.14Å
298R46.8Very low51Low183 Ų18396.2 Ų96.269%0.69152%0.516SS*.PPolyproline II helixtrans-92.3136.9-179.9-67.6-87.3177.4146.7-1.7110.3Q293 S296Q293-R298 HydrophobicContact CG-CB 4.47Å; Q293-R298 PolarHBondContact O-N 3.4Å; S296-R298 PolarHBondContact O-N 2.87Å; S296-R298 WeakPolarHBondContact OG-CG 3.31Å
299P42.1Very low49.1Very low77 Ų7798.4 Ų98.450%0.553%0.528SS..PPolyproline II helixtrans-63.7151.2169.726.3-32.2000111.1L301P299-L301 PolarHBondContact O-N 2.92Å
300Y38.3Very low47.1Very low125 Ų12599.9 Ų99.949%0.4955%0.546SS..PPolyproline II helixtrans-68.1120.9177.1-178-98.8000110.4E302Y300-E302 HydrophobicContact CD1-CB 4.27Å; Y300-E302 HydrophobicContact CE1-CB 3.65Å; Y300-E302 HydrophobicContact CE1-CG 3.97Å
301L47.3Very low45.5Very low126 Ų126106 Ų10666%0.6658%0.575SS**  trans-100114167.6-61.6179.8000107.9P299 N303P299-L301 PolarHBondContact O-N 2.92Å; L301-N303 PolarHBondContact O-N 3.5Å
302E38.1Very low43.6Very low146 Ų146111.9 Ų111.968%0.68261%0.605SS**  trans-75.3116172.1-161.8158.8-153.200108.2Y300 I304Y300-E302 HydrophobicContact CD1-CB 4.27Å; Y300-E302 HydrophobicContact CE1-CB 3.65Å; Y300-E302 HydrophobicContact CE1-CG 3.97Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 2.98Å
303N35.8Very low41.5Very low141 Ų141113.9 Ų113.975%0.75462%0.622SS**  trans-70.492.1174.1-68.7-22.2000108.3L301 S305L301-N303 PolarHBondContact O-N 3.5Å; N303-S305 VanDerWaalsContact C-N 3.25Å; N303-S305 PolarHBondContact O-N 3.47Å
304I33.6Very low39.7Very low133 Ų133118.5 Ų118.568%0.68266%0.658SS**  trans-72.787.7168.8-53.2173.7000106.8E302 K306E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 2.98Å; I304-K306 VanDerWaalsContact C-N 3.25Å; I304-K306 HydrophobicContact CG2-CG 3.86Å; I304-K306 PolarHBondContact O-N 3.31Å
305S32.1Very low37.7Very low109 Ų109125 Ų12576%0.76268%0.675SS**  trans-66.889.8162.855.30000107.7N303 P307N303-S305 VanDerWaalsContact C-N 3.25Å; N303-S305 PolarHBondContact O-N 3.47Å; S305-P307 WeakPolarHBondContact O-CD 3.39Å
306K30Very low35.9Very low173 Ų173131.1 Ų131.175%0.75271%0.713SS**  trans-66.3126.1172.3-72.7-178.5177.7177.80108.8I304I304-K306 VanDerWaalsContact C-N 3.25Å; I304-K306 HydrophobicContact CG2-CG 3.86Å; I304-K306 PolarHBondContact O-N 3.31Å
307P30.7Very low33.7Very low109 Ų109134.2 Ų134.271%0.70873%0.732SS**  trans-74.3136.816530.3-29.1000108.8S305 T309S305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-T309 PolarHBondContact O-N 3.39Å
308N25Very low32.2Very low171 Ų171134.8 Ų134.891%0.91474%0.737SS**  trans-62.498.7176.7-64.3-31.3000109.7
309T30.9Very low31.6Very low117 Ų117134 Ų13472%0.71875%0.747SS**  trans-105102.3161.7-51.40000107.2P307 L311P307-T309 PolarHBondContact O-N 3.39Å; T309-L311 PolarHBondContact O-N 3.31Å
310S24.6Very low31Very low119 Ų119137 Ų13783%0.83276%0.758SS**  trans-55.6101166.849.80000109.1
311L28.3Very low30.7Very low163 Ų163138.1 Ų138.185%0.85377%0.773SS**  trans-109.3128.3163.6-145.691.4000109.1T309T309-L311 PolarHBondContact O-N 3.31Å
312L28.2Very low30Very low156 Ų156142.4 Ų142.482%0.81779%0.786SS**  trans-64.5136.9-169.4-160.6152.3000111.4
313V24Very low29.7Very low123 Ų123141.8 Ų141.875%0.74579%0.792SS**  trans-20.3119.9165.5-1790000115.2
314S29.9Very low29.4Very low125 Ų125142.3 Ų142.387%0.87479%0.792SS**  trans-139.3141.4140.482.40000109.4
315K25.6Very low29.2Very low191 Ų191144.1 Ų144.183%0.8380%0.795SS**  trans-117.9112.5-151.7178.4-179.6-173.9-1790108.1
316V31.2Very low29.1Very low141 Ų141146.8 Ų146.886%0.85580%0.795SS**  trans-148.5139.3158.3-1760000109.1
317P28Very low29Very low115 Ų115147.4 Ų147.475%0.74779%0.794SS**  trans-89.5144.6-160.9-3.824.5000115.4
318S26Very low29.5Very low87 Ų87146.9 Ų146.961%0.60879%0.793SS**  trans37.8104.5134.4-173.40000119.3
319D33.5Very low30.1Very low167 Ų167144.5 Ų144.589%0.89379%0.79SS**  trans-134.4123.4134.4-94.8-31.2000110.2N321D319-N321 PolarHBondContact O-N 3.17Å
320N29.9Very low30.2Very low140 Ų140146 Ų14675%0.74979%0.793SS**  trans-82.5108.4-172.2-70.1-47.1000110.4
321N33.1Very low30.6Very low149 Ų149144 Ų14480%0.79778%0.78SS**  trans-144.687159.7-82.2-43000110.5D319 T323D319-N321 PolarHBondContact O-N 3.17Å; N321-T323 PolarHBondContact O-N 3.19Å
322K31Very low30.7Very low215 Ų215142.9 Ų142.994%0.93577%0.774SS**  trans-68.290.3169.5-76.3178.2178.8173.40109.2M324K322-M324 PolarHBondContact O-N 3.29Å; K322-M324 VanDerWaalsContact O-N 3.1Å
323T32.1Very low30.9Very low133 Ų133142.4 Ų142.482%0.81677%0.771SS**  trans-75.898.2169-5.10000108.9N321 K325N321-T323 PolarHBondContact O-N 3.19Å; T323-K325 PolarHBondContact O-N 2.99Å
324M29.1Very low31.2Very low152 Ų152142.5 Ų142.575%0.74977%0.773SS**  trans-69.6110.5174.8-153.9175.4114.800108.7K322 H326K322-M324 PolarHBondContact O-N 3.29Å; K322-M324 VanDerWaalsContact O-N 3.1Å; M324-H326 PolarHBondContact O-N 3.14Å; M324-H326 VanDerWaalsContact O-N 3.09Å
325K30.5Very low31.3Very low172 Ų172145.1 Ų145.175%0.74876%0.764SS**  trans-72102.2177.5-70.4-178.8179.51780109.4T323 Y327T323-K325 PolarHBondContact O-N 2.99Å; K325-Y327 WeakPolarHBondContact O-CD2 3.43Å
326H29.1Very low31.6Very low164 Ų164142.4 Ų142.476%0.75976%0.764SS**PPolyproline II helixtrans-70.8125170.3-96.2-99000110.3M324M324-H326 PolarHBondContact O-N 3.14Å; M324-H326 VanDerWaalsContact O-N 3.09Å
327Y29Very low31.3Very low187 Ų187143.5 Ų143.573%0.73376%0.763SS**PPolyproline II helixtrans-95.1132.5168.3-64.5-87.4000108.7K325K325-Y327 WeakPolarHBondContact O-CD2 3.43Å
328S41.1Very low31.3Very low97 Ų97145.7 Ų145.768%0.67877%0.766SS**PPolyproline II helixtrans-76.4135.7175.2-179.50000110.8N330S328-N330 PolarHBondContact O-N 3.5Å
329S37.9Very low31.4Very low122 Ų122146.3 Ų146.385%0.85377%0.771SS**THydrogen-bonded Turntrans-62-2.8-169.1-51.10000116.4
330N32.9Very low31.2Very low147 Ų147147.7 Ų147.779%0.78677%0.769SS**THydrogen-bonded Turntrans-103.716.9-174.7-64.1-8.6000114S328 L332S328-N330 PolarHBondContact O-N 3.5Å; N330-L332 PolarHBondContact O-N 3.26Å
331S31.6Very low31.5Very low78 Ų78150.2 Ų150.255%0.54578%0.776SS.*  trans-86.590.1-179.9-177.30000112.1
332L31.7Very low31.3Very low139 Ų139153.6 Ų153.673%0.72878%0.779SS**  trans-109.4121.6171-86150.9000109.7N330N330-L332 PolarHBondContact O-N 3.26Å
333I32.6Very low31.2Very low147 Ų147154.7 Ų154.775%0.75478%0.778SS**  trans-113.1108.4178.9-55.9173.4000109.3
334P30Very low31.1Very low124 Ų124156 Ų15681%0.80577%0.772SS**PPolyproline II helixtrans-81.3141.1177.1-2.719.1000112.6
335R31.7Very low31Very low180 Ų180160.4 Ų160.468%0.67978%0.78SS**PPolyproline II helixtrans-90.1159.5-179.3-78.2-172.9173.1-168.4-2.6113.9
336V30.8Very low31Very low135 Ų135159.3 Ų159.382%0.81878%0.777SS**PPolyproline II helixtrans-90.3140.1167.81740000111
337I24.9Very low30.9Very low163 Ų163157.5 Ų157.584%0.83678%0.783SS**PPolyproline II helixtrans-77139.7-177.2-60169.7000111.5
338I27.8Very low30.9Very low161 Ų161154.6 Ų154.683%0.82679%0.785SS**PPolyproline II helixtrans-77.9127.2-179.3-59.5166.7000110.2
339S28.2Very low30.3Very low101 Ų101157.2 Ų157.271%0.70679%0.792SS**PPolyproline II helixtrans-87.3127.8170.949.90000111
340K31.2Very low29.9Very low196 Ų196156.5 Ų156.585%0.85278%0.784SS**PPolyproline II helixtrans-63.8137.4179.4-72.8178.6176.9176.10112.1
341E35.3Very low29.7Very low192 Ų192158.6 Ų158.690%0.89779%0.789SS**PPolyproline II helixtrans-67.1141.1-177.7-68.5174.4143.700113.4
342Y29.7Very low29.8Very low220 Ų220159.9 Ų159.986%0.86380%0.804SS**  trans-82.1114.9174.8-153-96000109K344Y342-K344 PolarHBondContact O-N 3.38Å
343R27.8Very low29.5Very low239 Ų239160.9 Ų160.990%0.90281%0.809SS**  trans-73.4114.9174.6-68.9-135.1-159.5-174.48.6109.6
344K30.7Very low29.4Very low159 Ų159158.7 Ų158.769%0.69181%0.807SS**  trans-119.2115.2165.4-145.3176.1-175.5-175.60108.7Y342Y342-K344 PolarHBondContact O-N 3.38Å
345R25.8Very low29.5Very low245 Ų245160.9 Ų160.993%0.92581%0.807SS**  trans-76.5117.6176.5-60.3-176.8-168.8176.43107.7
346H31.4Very low29.5Very low149 Ų149160 Ų16069%0.6982%0.821SS**  trans-114.1120.8164.5-77.7-72.7000108.1
347S27Very low29.7Very low126 Ų126158.5 Ų158.588%0.88182%0.817SS**  trans-64.3126.8174.7-175.40000109.2
348T28.7Very low30.4Very low126 Ų126160.4 Ų160.477%0.77382%0.819SS**  trans-75.4132176.7460000110.6
349N28.2Very low31.1Very low153 Ų153157.4 Ų157.482%0.81881%0.812SS**  trans-119.3119.9154.3-169.15000107.5
350P29.5Very low32.1Very low106 Ų106159.1 Ų159.169%0.68882%0.819SS**  trans-103.9101-176.134.9-22.8000110.4
351E30.2Very low33.1Very low192 Ų192156 Ų15690%0.89781%0.811SS**  trans-170.998.5158.9-115169.5-164.800110.3
352A32.2Very low34.4Very low104 Ų104152.6 Ų152.686%0.8681%0.806SS**  trans-167.897.5154.600000108.7
353L26Very low36Very low160 Ų160146 Ų14684%0.83879%0.785SS**  trans-66.4153.8163-93.7102.6000110.8
354S29.8Very low38.2Very low101 Ų101138.1 Ų138.171%0.70677%0.766SS**  trans86.7132.2150.8-60.10000119.3
355Q33.3Very low39.8Very low170 Ų170135.6 Ų135.679%0.79476%0.764SS**  trans87103.3153.6-45.5-152-2200118.6S357Q355-S357 PolarHBondContact O-N 2.76Å; Q355-S357 PolarHBondContact O-OG 3.36Å; Q355-S357 VanDerWaalsContact O-OG 3.05Å
356V31.2Very low41.9Very low162 Ų162125.9 Ų125.998%0.98274%0.74SS**  trans12.180.2140.4-169.80000114.2
357S35.2Very low43.7Very low104 Ų104123 Ų12373%0.72773%0.727SS**  trans-121.3116.3179.329.10000109.3Q355 S359Q355-S357 PolarHBondContact O-N 2.76Å; Q355-S357 PolarHBondContact O-OG 3.36Å; Q355-S357 VanDerWaalsContact O-OG 3.05Å; S357-S359 PolarHBondContact O-N 3.38Å
358K39.3Very low45.7Very low202 Ų202119.7 Ų119.788%0.87870%0.699SS**  trans-46.1101.7165.2-63.5169.3179.71760107.3T360K358-T360 PolarHBondContact O-N 2.99Å; K358-T360 PolarHBondContact O-OG1 2.94Å
359S41.7Very low47.3Very low99 Ų99119.8 Ų119.869%0.69269%0.688SS**  trans-71.199.3-174.768.40000108.9S357 N361S357-S359 PolarHBondContact O-N 3.38Å; S359-N361 PolarHBondContact O-N 3.16Å
360T50.4Low49Very low137 Ų137120.2 Ų120.284%0.8468%0.678SS**  trans-74.520.7169.6-37.80000111.4K358 P362K358-T360 PolarHBondContact O-N 2.99Å; K358-T360 PolarHBondContact O-OG1 2.94Å; T360-P362 WeakPolarHBondContact O-CD 3.3Å
361N52Low50.5Low129 Ų129118.2 Ų118.269%0.6966%0.662SS**PPolyproline II helixtrans-77.6123.5177.7-69.7-23.2000108.3S359 I363S359-N361 PolarHBondContact O-N 3.16Å; N361-I363 PolarHBondContact O-N 3.22Å
362P62Low51.8Low121 Ų121111.4 Ų111.479%0.78664%0.639SS**PPolyproline II helixtrans-60.7122.5174.524.5-32000109.3T360 S364T360-P362 WeakPolarHBondContact O-CD 3.3Å; P362-S364 PolarHBondContact O-N 3.41Å
363I63.8Low52.9Low83 Ų83116.1 Ų116.143%0.42664%0.635SS.*PPolyproline II helixtrans-59.4124.8178-68.4174.2000109.1N361 E367 L368 L371N361-I363 PolarHBondContact O-N 3.22Å; I363-E367 HydrophobicContact CG2-CB 3.75Å; I363-L368 HydrophobicContact CG2-CB 3.91Å; I363-L371 HydrophobicContact CD1-CD1 4.3Å
364S73.8Confident54.5Low72 Ų72113.2 Ų113.250%0.50363%0.629SS.*PPolyproline II helixtrans-65.5149.5174.4173.30000110.9P362 G366 E367 L368P362-S364 PolarHBondContact O-N 3.41Å; S364-G366 PolarHBondContact O-N 3.48Å; S364-G366 VanDerWaalsContact O-N 3.08Å; S364-G366 PolarHBondContact OG-N 3.36Å; S364-E367 PolarHBondContact O-N 2.93Å; S364-L368 PolarHBondContact O-N 3.48Å
365V63.8Low55.8Low107 Ų107112.2 Ų112.265%0.64862%0.615SS**Hα-helixtrans-54-33.1175.9-179.30000111.8K369V365-K369 PolarHBondContact O-N 3.37Å; V365-K369 VanDerWaalsContact O-N 3.07Å
366G71.7Confident56.5Low40 Ų40105.1 Ų105.141%0.41259%0.588SS.*Hα-helixtrans-68-43.2175.500000113S364 K369 R370S364-G366 PolarHBondContact O-N 3.48Å; S364-G366 VanDerWaalsContact O-N 3.08Å; S364-G366 PolarHBondContact OG-N 3.36Å; G366-K369 PolarHBondContact O-N 3.45Å; G366-R370 PolarHBondContact O-N 3.15Å
367E69.2Low57.7Low90 Ų90103 Ų10342%0.42158%0.577SS.*Hα-helixtrans-66.4-42.3174.6-82.1-178.2148.500112.2I363 S364 K369 R370 L371I363-E367 HydrophobicContact CG2-CB 3.75Å; S364-E367 PolarHBondContact O-N 2.93Å; E367-K369 VanDerWaalsContact C-N 3.3Å; E367-K369 PolarHBondContact O-N 3.07Å; E367-R370 WeakPolarHBondContact O-CB 3.37Å; E367-R370 PolarHBondContact O-N 3.22Å; E367-R370 VanDerWaalsContact O-N 3.1Å; E367-R370 IonicContact OE1-NH2 2.97Å; E367-L371 WeakPolarHBondContact O-CG 3.46Å; E367-L371 PolarHBondContact O-N 3.26Å
368L67.7Low58.4Low56 Ų56106.5 Ų106.529%0.29358%0.579SS.*Hα-helixtrans-58.5-43.6176.3-176.465.8000111.5I363 S364 L371 A372I363-L368 HydrophobicContact CG2-CB 3.91Å; S364-L368 PolarHBondContact O-N 3.48Å; L368-L371 PolarHBondContact O-N 3.35Å; L368-A372 WeakPolarHBondContact O-CB 3.43Å; L368-A372 PolarHBondContact O-N 2.86Å
369K63Low59Low128 Ų128100.3 Ų100.356%0.55755%0.553SS**Hα-helixtrans-61.3-45.8174-85.8-177.4176.9178.50111.5V365 G366 E367 L371 A372 Y373V365-K369 PolarHBondContact O-N 3.37Å; V365-K369 VanDerWaalsContact O-N 3.07Å; G366-K369 PolarHBondContact O-N 3.45Å; E367-K369 VanDerWaalsContact C-N 3.3Å; E367-K369 PolarHBondContact O-N 3.07Å; K369-L371 PolarHBondContact O-N 3.38Å; K369-A372 PolarHBondContact O-N 3.49Å; K369-Y373 WeakPolarHBondContact O-CD2 3.49Å; K369-Y373 PolarHBondContact O-N 3.32Å
370R62.8Low59.2Low161 Ų16196.1 Ų96.161%0.60853%0.526SS*.Hα-helixtrans-57.6-48.3176.3-76.8-170.3-67.1-144.43.3111.4G366 E367 A372 Y373 S374G366-R370 PolarHBondContact O-N 3.15Å; E367-R370 WeakPolarHBondContact O-CB 3.37Å; E367-R370 PolarHBondContact O-N 3.22Å; E367-R370 VanDerWaalsContact O-N 3.1Å; E367-R370 IonicContact OE1-NH2 2.97Å; R370-A372 PolarHBondContact O-N 3.47Å; R370-Y373 PolarHBondContact O-N 2.93Å; R370-S374 PolarHBondContact O-N 3.16Å; R370-S374 PolarHBondContact O-OG 3.27Å
371L61.1Low59.2Low64 Ų6493.1 Ų93.134%0.33551%0.509SS..Hα-helixtrans-62.4-43.2179.1-69.4172.9000112.2I363 E367 L368 K369 Y373 S374 L375 I399I363-L371 HydrophobicContact CD1-CD1 4.3Å; E367-L371 WeakPolarHBondContact O-CG 3.46Å; E367-L371 PolarHBondContact O-N 3.26Å; L368-L371 PolarHBondContact O-N 3.35Å; K369-L371 PolarHBondContact O-N 3.38Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 PolarHBondContact O-N 2.93Å; L371-S374 PolarHBondContact O-N 2.87Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.31Å; L371-L375 WeakPolarHBondContact O-CG 3.44Å; L371-L375 PolarHBondContact O-N 2.91Å; L371-I399 HydrophobicContact CB-CD1 4.39Å; L371-I399 HydrophobicContact CD1-CD1 3.96Å
372A57.3Low59Low50 Ų5092.4 Ų92.441%0.41351%0.514SS..Hα-helixtrans-63.1-35.8176.700000112.6L368 K369 R370 G376L368-A372 WeakPolarHBondContact O-CB 3.43Å; L368-A372 PolarHBondContact O-N 2.86Å; K369-A372 PolarHBondContact O-N 3.49Å; R370-A372 PolarHBondContact O-N 3.47Å; A372-G376 PolarHBondContact O-N 2.73Å
373Y56.6Low58.2Low202 Ų20290.6 Ų90.679%0.79250%0.497SS*.Hα-helixtrans-69.7-45172.9-87.2-68.5000112.1K369 R370 L371K369-Y373 WeakPolarHBondContact O-CD2 3.49Å; K369-Y373 PolarHBondContact O-N 3.32Å; R370-Y373 PolarHBondContact O-N 2.93Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 PolarHBondContact O-N 2.93Å
374S59.4Low57.6Low100 Ų10091.3 Ų91.370%0.69951%0.507SS*.Hα-helixtrans-68.3-40.1-177.1-59.90000113.4R370 L371R370-S374 PolarHBondContact O-N 3.16Å; R370-S374 PolarHBondContact O-OG 3.27Å; L371-S374 PolarHBondContact O-N 2.87Å
375L57.7Low56.6Low79 Ų7990.9 Ų90.941%0.41450%0.503SS..Hα-helixtrans-87-11.1-175-58.4171.6000112.8L371 Q379L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.31Å; L371-L375 WeakPolarHBondContact O-CG 3.44Å; L371-L375 PolarHBondContact O-N 2.91Å; L375-Q379 HydrophobicContact CB-CB 3.68Å; L375-Q379 HydrophobicContact CB-CG 4.32Å
376G47.8Very low55.8Low22 Ų2289.8 Ų89.823%0.22750%0.497CS..  trans67.4174.8-178.600000113.6A372 K378 Q379 G380A372-G376 PolarHBondContact O-N 2.73Å; G376-K378 PolarHBondContact O-N 3.41Å; G376-K378 VanDerWaalsContact O-N 3.14Å; G376-Q379 PolarHBondContact O-N 3.19Å; G376-G380 PolarHBondContact O-N 2.66Å
377P56Low54.7Low116 Ų11694.3 Ų94.375%0.75351%0.507SS*.G310 helixtrans-62.2-26.2-173.720.8-30.6000113.6Q379 G380 L383P377-Q379 VanDerWaalsContact C-N 3.25Å; P377-Q379 PolarHBondContact O-N 3.03Å; P377-G380 PolarHBondContact O-N 2.86Å; P377-L383 VanDerWaalsContact O-CD1 3.26Å; P377-L383 WeakPolarHBondContact O-CD1 3.3Å
378K50Low53.8Low178 Ų17894.4 Ų94.477%0.77451%0.51SS*.G310 helixtrans-65.7-25.7-178.4-69.3-171.8176.3-1770113.7G376G376-K378 PolarHBondContact O-N 3.41Å; G376-K378 VanDerWaalsContact O-N 3.14Å
379Q51.3Low53.3Low72 Ų72101.7 Ų101.734%0.33654%0.543SS..G310 helixtrans-112.510.2-179.1-60.4-59.6-26.700112.1L375 G376 P377L375-Q379 HydrophobicContact CB-CB 3.68Å; L375-Q379 HydrophobicContact CB-CG 4.32Å; G376-Q379 PolarHBondContact O-N 3.19Å; P377-Q379 VanDerWaalsContact C-N 3.25Å; P377-Q379 PolarHBondContact O-N 3.03Å
380G46.9Very low53Low12 Ų12106.5 Ų106.512%0.12456%0.557CS.*SBendtrans-70.3153.8176.700000111.9G376 P377 S382G376-G380 PolarHBondContact O-N 2.66Å; P377-G380 PolarHBondContact O-N 2.86Å; G380-S382 PolarHBondContact O-N 3.18Å
381P49.4Very low52.4Low74 Ų74100.8 Ų100.848%0.48155%0.549SS..THydrogen-bonded Turntrans-66-9.6-174.423.9-33.3000115.2F401P381-F401 HydrophobicContact CB-CE2 3.65Å; P381-F401 HydrophobicContact CB-CZ 4.41Å; P381-F401 HydrophobicContact CG-CE2 4.2Å
382S47.2Very low51.8Low113 Ų113102.9 Ų102.979%0.7956%0.56SS**THydrogen-bonded Turntrans-93.13.4-173.358.40000115G380G380-S382 PolarHBondContact O-N 3.18Å
383L45.7Very low51.4Low83 Ų83106 Ų10644%0.43557%0.569SS.*SBendtrans-101.2140.4179.6-89.8162.2000112.9P377 R398P377-L383 VanDerWaalsContact O-CD1 3.26Å; P377-L383 WeakPolarHBondContact O-CD1 3.3Å; L383-R398 PolarHBondContact O-NH1 2.77Å; L383-R398 PolarHBondContact O-NH2 3.27Å
384P52.2Low51.1Low98 Ų9899.3 Ų99.364%0.63655%0.546SS*.PPolyproline II helixtrans-55.2150.7166.6-18.930.2000111.3T386 R398P384-T386 PolarHBondContact O-N 2.87Å; P384-R398 PolarHBondContact O-NH2 3.17Å
385P51.6Low50.5Low63 Ų63102.3 Ų102.341%0.40955%0.554SS.*PPolyproline II helixtrans-58.5133.4175.223.5-30.7000111.3Q387 R398P385-Q387 PolarHBondContact O-N 2.74Å; P385-R398 VanDerWaalsContact CA-NH2 3.3Å
386T48.5Very low50.1Low85 Ų85102.9 Ų102.952%0.52156%0.555SS.*PPolyproline II helixtrans-73.6118.3168.339.20000108.8P384P384-T386 PolarHBondContact O-N 2.87Å
387Q48.7Very low49.8Very low135 Ų135108.2 Ų108.263%0.63158%0.583SS**BIsolated β-bridgetrans-92.8135.2170.7-68.7176.7-22.600108.6P385P385-Q387 PolarHBondContact O-N 2.74Å
388D49.7Very low49.2Very low92 Ų92108.4 Ų108.449%0.49257%0.569SS.*PPolyproline II helixtrans-67.2166.8164.4-89.3-26.6000110.7R390 G391 N392 I394D388-R390 PolarHBondContact O-N 3.19Å; D388-G391 PolarHBondContact O-N 3.06Å; D388-N392 PolarHBondContact N-O 3.06Å; D388-I394 HydrophobicContact CB-CG1 4.39Å; D388-I394 WeakPolarHBondContact OD1-CD1 2.97Å; D388-I394 WeakPolarHBondContact OD2-CG1 3.38Å
389Q56.1Low49Very low208 Ų208102.6 Ų102.697%0.97255%0.546SS*.THydrogen-bonded Turntrans-58.6-15.1179.6-63.3-165.27.700114.1
390R57.7Low48.6Very low229 Ų229104 Ų10486%0.86456%0.559SS**THydrogen-bonded Turntrans-93.99172-80.2-169.4178.9-152.40.6114.6D388 N392D388-R390 PolarHBondContact O-N 3.19Å; R390-N392 PolarHBondContact O-N 2.97Å
391G50.6Low48.3Very low41 Ų41109.9 Ų109.942%0.42358%0.581SS.*SBendtrans74.62.6-179.100000114.6D388D388-G391 PolarHBondContact O-N 3.06Å
392N48.1Very low47.7Very low109 Ų109114.8 Ų114.858%0.58360%0.597SS**PPolyproline II helixtrans-75.8132.7176.4-72.7-16.1000110.3D388 R390 I394D388-N392 PolarHBondContact N-O 3.06Å; R390-N392 PolarHBondContact O-N 2.97Å; N392-I394 PolarHBondContact O-N 2.89Å
393I48.3Very low47.1Very low115 Ų115120 Ų12059%0.5960%0.6SS**BIsolated β-bridgetrans-71.2116.6173-60.3172.7000106.8D395I393-D395 PolarHBondContact O-N 3.1Å; I393-D395 VanDerWaalsContact O-N 3.17Å
394I51.4Low46.8Very low61 Ų61120.6 Ų120.631%0.31361%0.611SS.*PPolyproline II helixtrans-67.4117173-48175.7000106.6D388 N392 Q396D388-I394 HydrophobicContact CB-CG1 4.39Å; D388-I394 WeakPolarHBondContact OD1-CD1 2.97Å; D388-I394 WeakPolarHBondContact OD2-CG1 3.38Å; N392-I394 PolarHBondContact O-N 2.89Å; I394-Q396 HydrophobicContact CG2-CG 3.98Å; I394-Q396 PolarHBondContact O-N 2.97Å
395D46.3Very low46.4Very low164 Ų164121.3 Ų121.388%0.87761%0.61SS**  trans-7460.9-174.9-1398.8000110.6I393I393-D395 PolarHBondContact O-N 3.1Å; I393-D395 VanDerWaalsContact O-N 3.17Å
396Q48.1Very low45.9Very low91 Ų91123.9 Ų123.943%0.42563%0.629SS.*  trans-83.1125.9169.7-70.1179.8-8.700107.3I394 R398I394-Q396 HydrophobicContact CG2-CG 3.98Å; I394-Q396 PolarHBondContact O-N 2.97Å; Q396-R398 VanDerWaalsContact C-N 3.34Å; Q396-R398 PolarHBondContact O-N 3.45Å
397T41.5Very low45.6Very low133 Ų133128.1 Ų128.182%0.81664%0.64SS**  trans-43.288.5-178.735.30000112.6
398R44.3Very low45.3Very low121 Ų121131.1 Ų131.146%0.45765%0.646SS.*  trans-94.4131.7-177.2177.5-179.5-79.9-132.9-14109.9L383 P384 P385 Q396 V400L383-R398 PolarHBondContact O-NH1 2.77Å; L383-R398 PolarHBondContact O-NH2 3.27Å; P384-R398 PolarHBondContact O-NH2 3.17Å; P385-R398 VanDerWaalsContact CA-NH2 3.3Å; Q396-R398 VanDerWaalsContact C-N 3.34Å; Q396-R398 PolarHBondContact O-N 3.45Å; R398-V400 HydrophobicContact CG-CG2 4.24Å; R398-V400 PolarHBondContact O-N 3.08Å
399I46.3Very low44.6Very low56 Ų56134.8 Ų134.829%0.28766%0.66SS.*  trans-77.3102.5172.5-57172.9000108.3L371L371-I399 HydrophobicContact CB-CD1 4.39Å; L371-I399 HydrophobicContact CD1-CD1 3.96Å
400V42.4Very low43.6Very low100 Ų100129.7 Ų129.761%0.60665%0.645SS**  trans-93129.9175.6-178.10000109.7R398 H402R398-V400 HydrophobicContact CG-CG2 4.24Å; R398-V400 PolarHBondContact O-N 3.08Å; V400-H402 PolarHBondContact O-N 3.34Å
401F40Very low42.5Very low137 Ų137127.7 Ų127.760%0.60164%0.643SS**  trans-82.3114.9175.2-66.8-85.2000110.6P381P381-F401 HydrophobicContact CB-CE2 3.65Å; P381-F401 HydrophobicContact CB-CZ 4.41Å; P381-F401 HydrophobicContact CG-CE2 4.2Å
402H36.7Very low41.8Very low177 Ų177133.9 Ų133.982%0.81966%0.661SS**  trans-83.4111.6159.6-73.9-79.6000108.8V400 S404V400-H402 PolarHBondContact O-N 3.34Å; H402-S404 PolarHBondContact O-N 3.45Å
403R35.7Very low41.3Very low221 Ų221134.2 Ų134.283%0.83467%0.669SS**  trans-66.6117.1170.4-155.7177.5-167.4-178.52.7107.1N405R403-N405 PolarHBondContact O-N 2.99Å
404S38.8Very low40.7Very low97 Ų97134 Ų13468%0.67868%0.678SS**  trans-56.4128.8176.850.30000109.7H402 S406H402-S404 PolarHBondContact O-N 3.45Å; S404-S406 PolarHBondContact O-N 3.02Å
405N43.2Very low40.2Very low113 Ų113140.3 Ų140.360%0.60471%0.706SS**G310 helixtrans-64.12.1-174.3-80.9-39.4000114.5R403 K407 R408R403-N405 PolarHBondContact O-N 2.99Å; N405-K407 PolarHBondContact O-N 2.88Å; N405-K407 VanDerWaalsContact O-N 3.1Å; N405-R408 PolarHBondContact O-N 3.07Å; N405-R408 VanDerWaalsContact OD1-CZ 3.32Å; N405-R408 PolarHBondContact OD1-NE 2.98Å; N405-R408 PolarHBondContact OD1-NH2 3.22Å
406S42.7Very low39.7Very low116 Ų116137 Ų13781%0.81170%0.695SS**G310 helixtrans-70.4-4.1-176.3-168.90000114.4S404S404-S406 PolarHBondContact O-N 3.02Å
407K41.5Very low39.1Very low174 Ų174141.8 Ų141.876%0.75772%0.718SS**G310 helixtrans-108.516176.9-79.8-170.2175.2-176.90115.9N405 H409N405-K407 PolarHBondContact O-N 2.88Å; N405-K407 VanDerWaalsContact O-N 3.1Å; K407-H409 PolarHBondContact O-N 3.07Å; K407-H409 VanDerWaalsContact O-N 3.15Å
408R41.1Very low39.1Very low199 Ų199142 Ų14275%0.75171%0.714SS**  trans-71.71.6177.1-68.8-166.4-166.2-172.12.8115.4N405 C410N405-R408 PolarHBondContact O-N 3.07Å; N405-R408 VanDerWaalsContact OD1-CZ 3.32Å; N405-R408 PolarHBondContact OD1-NE 2.98Å; N405-R408 PolarHBondContact OD1-NH2 3.22Å; R408-C410 VanDerWaalsContact C-N 3.32Å; R408-C410 PolarHBondContact O-N 3.15Å
409H36Very low38.8Very low169 Ų169147.7 Ų147.778%0.78275%0.753SS**  trans-91.462.3169.4-104.1-41.3000112K407K407-H409 PolarHBondContact O-N 3.07Å; K407-H409 VanDerWaalsContact O-N 3.15Å
410C35.1Very low38.4Very low100 Ų100152.3 Ų152.368%0.67678%0.777SS**  trans-119.290.7155.8-66.50000105.9R408 H412R408-C410 VanDerWaalsContact C-N 3.32Å; R408-C410 PolarHBondContact O-N 3.15Å; C410-H412 PolarHBondContact O-N 2.89Å; C410-H412 VanDerWaalsContact O-N 3.07Å
411K35Very low38.2Very low187 Ų187155 Ų15581%0.81379%0.786SS**  trans-61.6108.4169.5-72-176.3175.8-176.20106.4
412H36.2Very low38.1Very low172 Ų172156 Ų15680%0.79680%0.796SS**PPolyproline II helixtrans-64.4133.4161.8-91.5-94000107.2C410 S414C410-H412 PolarHBondContact O-N 2.89Å; C410-H412 VanDerWaalsContact O-N 3.07Å; H412-S414 PolarHBondContact O-N 3.41Å
413P36.4Very low38.2Very low116 Ų116154.8 Ų154.875%0.75379%0.794SS**PPolyproline II helixtrans-59.3129.2167.8-8.822.2000107.6E415P413-E415 PolarHBondContact O-N 3.19Å
414S36.1Very low38.4Very low111 Ų111150.6 Ų150.678%0.77679%0.792SS**PPolyproline II helixtrans-56.7121.917143.60000109H412 S416H412-S414 PolarHBondContact O-N 3.41Å; S414-S416 PolarHBondContact O-N 3.05Å
415E40.7Very low38.3Very low193 Ų193154.2 Ų154.290%0.90280%0.799SS**  trans-59.6107.5160.2-74.5170.9166.800106.4P413 E417P413-E415 PolarHBondContact O-N 3.19Å; E415-E417 PolarHBondContact O-N 3.01Å
416S35.7Very low38Very low94 Ų94157.1 Ų157.166%0.65781%0.813SS**  trans-68.5107.9169.146.90000107.6S414 D418S414-S416 PolarHBondContact O-N 3.05Å; S416-D418 PolarHBondContact O-N 3.15Å; S416-D418 VanDerWaalsContact O-N 3.1Å
417E36.4Very low37.6Very low192 Ų192160.3 Ų160.390%0.89781%0.814SS**  trans-70.786.6156.1-69-167164.300107.4E415E415-E417 PolarHBondContact O-N 3.01Å
418D40.4Very low37.3Very low138 Ų138159.2 Ų159.274%0.73882%0.818SS**  trans-123.9101.6167.5-82.3-39.5000108S416S416-D418 PolarHBondContact O-N 3.15Å; S416-D418 VanDerWaalsContact O-N 3.1Å
419N38.7Very low37Very low239 Ų239155.5 Ų155.5100%1.27882%0.824SS**  trans55.90160.8-72.9-31.5000120.8

Retrieved 419 of 419 residues in 418.4 ms (Link to these results)

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