A0A3Q0KVG0_SCHMA Loading...

Tubulin polymerization-promoting protein

AlphaFold DB , UniProt , Accession A0A3Q0KVG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 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
1M57.6Low85.8Confident154 Ų15475.4 Ų75.476%0.75940%0.399SS*.  0120.50-63.4-56.7170.600107.2R97M1-R97 HydrophobicContact CE-CB 4.21Å; M1-R97 HydrophobicContact CE-CG 3.69Å
2S76.4Confident86.4Confident68 Ų6873.3 Ų73.348%0.47640%0.396SS..  trans-81.5131.9-177.7-61.10000109.4D4 E5 L6S2-D4 PolarHBondContact O-N 3.17Å; S2-E5 PolarHBondContact N-OE2 3.19Å; S2-E5 PolarHBondContact O-N 3.15Å; S2-L6 PolarHBondContact O-N 3.17Å
3S80.6Confident86.9Confident90 Ų9067.7 Ų67.763%0.62937%0.365SS*.Hα-helixtrans-53.5-27.7176.4-60.30000112.3K7S3-K7 WeakPolarHBondContact O-CB 3.28Å; S3-K7 PolarHBondContact O-N 3.21Å; S3-K7 VanDerWaalsContact O-N 3.1Å
4D89.3Confident87.4Confident115 Ų11562.9 Ų62.962%0.61534%0.339SS*.Hα-helixtrans-65.7-42.4176-59.7-71.9000113.7S2 K7 Q8S2-D4 PolarHBondContact O-N 3.17Å; D4-K7 WeakPolarHBondContact O-CB 3.37Å; D4-K7 PolarHBondContact O-N 2.95Å; D4-Q8 WeakPolarHBondContact O-CG 3.33Å; D4-Q8 PolarHBondContact O-N 2.92Å
5E90.1Very high87.7Confident106 Ų10663.1 Ų63.150%0.49534%0.341SS..Hα-helixtrans-64.7-44.6179.2-66173.1139.500110.5S2 K7 Q8 S9S2-E5 PolarHBondContact N-OE2 3.19Å; S2-E5 PolarHBondContact O-N 3.15Å; E5-K7 VanDerWaalsContact C-N 3.27Å; E5-K7 PolarHBondContact O-N 2.97Å; E5-Q8 PolarHBondContact O-N 3.01Å; E5-Q8 VanDerWaalsContact O-N 3.16Å; E5-S9 PolarHBondContact O-N 3.12Å; E5-S9 PolarHBondContact O-OG 3.1Å
6L89.9Confident87.9Confident12 Ų1263.9 Ų63.96%0.06334%0.34CS..Hα-helixtrans-59.8-40.2175.7-177.363.6000111.4S2 F10 F65 V69 K96 I99S2-L6 PolarHBondContact O-N 3.17Å; L6-F10 WeakPolarHBondContact O-CB 3.33Å; L6-F10 PolarHBondContact O-N 3.44Å; L6-F65 HydrophobicContact CD2-CE2 4.49Å; L6-F65 HydrophobicContact CD2-CZ 4.46Å; L6-F65 HydrophobicContact CG-CE2 4.15Å; L6-F65 HydrophobicContact CG-CZ 4.41Å; L6-V69 HydrophobicContact CD2-CG2 4.23Å; L6-K96 HydrophobicContact CD2-CB 4.35Å; L6-K96 HydrophobicContact CD2-CD 4.36Å; L6-K96 HydrophobicContact CD2-CG 3.91Å; L6-I99 HydrophobicContact CD1-CB 3.88Å; L6-I99 HydrophobicContact CD1-CG2 3.7Å
7K91.9Very high88.1Confident97 Ų9763.2 Ų63.242%0.42234%0.338SS..Hα-helixtrans-65-42.3175.7-174.2178.2175-177.60111.9S3 D4 E5 F10 L11 F65S3-K7 WeakPolarHBondContact O-CB 3.28Å; S3-K7 PolarHBondContact O-N 3.21Å; S3-K7 VanDerWaalsContact O-N 3.1Å; D4-K7 WeakPolarHBondContact O-CB 3.37Å; D4-K7 PolarHBondContact O-N 2.95Å; E5-K7 VanDerWaalsContact C-N 3.27Å; E5-K7 PolarHBondContact O-N 2.97Å; K7-F10 WeakPolarHBondContact O-CB 3.28Å; K7-F10 PolarHBondContact O-N 3.39Å; K7-L11 HydrophobicContact CG-CD1 4.28Å; K7-L11 VanDerWaalsContact O-CG 3.3Å; K7-L11 WeakPolarHBondContact O-CG 3.32Å; K7-L11 PolarHBondContact O-N 2.97Å; K7-F65 HydrophobicContact CB-CD1 4.4Å; K7-F65 HydrophobicContact CB-CD2 4.15Å; K7-F65 HydrophobicContact CB-CE1 3.99Å; K7-F65 HydrophobicContact CB-CE2 3.72Å; K7-F65 HydrophobicContact CB-CG 4.47Å; K7-F65 HydrophobicContact CB-CZ 3.62Å; K7-F65 HydrophobicContact CD-CD1 4.28Å; K7-F65 HydrophobicContact CD-CE1 4.37Å; K7-F65 HydrophobicContact CG-CD1 4.18Å; K7-F65 HydrophobicContact CG-CD2 4.15Å; K7-F65 HydrophobicContact CG-CE1 4.25Å; K7-F65 HydrophobicContact CG-CE2 4.23Å; K7-F65 HydrophobicContact CG-CG 4.12Å; K7-F65 HydrophobicContact CG-CZ 4.27Å
8Q92.2Very high88.3Confident122 Ų12267.7 Ų67.757%0.5735%0.354SS*.Hα-helixtrans-63.8-43.8177.2-69.9-62.1-1800111.8D4 E5 L11 S12D4-Q8 WeakPolarHBondContact O-CG 3.33Å; D4-Q8 PolarHBondContact O-N 2.92Å; E5-Q8 PolarHBondContact O-N 3.01Å; E5-Q8 VanDerWaalsContact O-N 3.16Å; Q8-L11 PolarHBondContact O-N 3.01Å; Q8-S12 WeakPolarHBondContact O-CB 3.13Å; Q8-S12 PolarHBondContact O-N 3.11Å; Q8-S12 PolarHBondContact O-OG 3.14Å
9S91.3Very high88.4Confident15 Ų1572.7 Ų72.711%0.10537%0.373CS..Hα-helixtrans-62.2-46.4174.3-630000111.1E5 L11 S12 F13 I99 A100E5-S9 PolarHBondContact O-N 3.12Å; E5-S9 PolarHBondContact O-OG 3.1Å; S9-L11 PolarHBondContact O-N 2.87Å; S9-S12 WeakPolarHBondContact O-CA 3.47Å; S9-S12 WeakPolarHBondContact O-CB 3.25Å; S9-S12 PolarHBondContact O-N 3.04Å; S9-S12 VanDerWaalsContact O-N 3.09Å; S9-F13 WeakPolarHBondContact O-CD2 3.4Å; S9-F13 PolarHBondContact O-N 3.03Å; S9-I99 WeakPolarHBondContact CB-O 3.33Å; S9-I99 PolarHBondContact OG-O 3.45Å; S9-A100 PolarHBondContact OG-O 3.28Å
10F92.3Very high88.4Confident1 Ų172.4 Ų72.40%0.00439%0.389CS..Hα-helixtrans-54.7-49.1175.8172.9-97.9000112.5L6 K7 S12 F13 C14 A24 F65 F68L6-F10 WeakPolarHBondContact O-CB 3.33Å; L6-F10 PolarHBondContact O-N 3.44Å; K7-F10 WeakPolarHBondContact O-CB 3.28Å; K7-F10 PolarHBondContact O-N 3.39Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 2.75Å; F10-F13 PolarHBondContact O-N 3.16Å; F10-C14 PolarHBondContact O-N 3.06Å; F10-C14 PolarHBondContact O-SG 3.14Å; F10-A24 HydrophobicContact CD2-CB 4.46Å; F10-A24 HydrophobicContact CE2-CB 3.36Å; F10-A24 HydrophobicContact CZ-CB 3.65Å; F10-F65 HydrophobicContact CB-CD2 4.01Å; F10-F65 HydrophobicContact CB-CE2 4.29Å; F10-F65 HydrophobicContact CD1-CB 4.1Å; F10-F65 AromaticContact CD1-CD2 3.84Å; F10-F65 HydrophobicContact CD1-CD2 3.84Å; F10-F65 HydrophobicContact CD1-CG 4.45Å; F10-F65 HydrophobicContact CE1-CB 3.98Å; F10-F65 HydrophobicContact CE1-CD2 4.45Å; F10-F65 AromaticContact CG-CD2 3.89Å; F10-F65 HydrophobicContact CG-CD2 3.89Å; F10-F68 HydrophobicContact CB-CE1 4.4Å; F10-F68 HydrophobicContact CD2-CB 4.2Å; F10-F68 AromaticContact CD2-CD1 3.3Å; F10-F68 HydrophobicContact CD2-CD1 3.3Å; F10-F68 HydrophobicContact CD2-CD2 4.17Å; F10-F68 AromaticContact CD2-CE1 3.54Å; F10-F68 HydrophobicContact CD2-CE1 3.54Å; F10-F68 HydrophobicContact CD2-CE2 4.38Å; F10-F68 AromaticContact CD2-CG 3.62Å; F10-F68 HydrophobicContact CD2-CG 3.62Å; F10-F68 HydrophobicContact CD2-CZ 4.07Å; F10-F68 HydrophobicContact CE2-CB 3.62Å; F10-F68 AromaticContact CE2-CD1 3.64Å; F10-F68 HydrophobicContact CE2-CD1 3.64Å; F10-F68 AromaticContact CE2-CD2 3.9Å; F10-F68 HydrophobicContact CE2-CD2 3.9Å; F10-F68 HydrophobicContact CE2-CE1 4.22Å; F10-F68 HydrophobicContact CE2-CE2 4.46Å; F10-F68 AromaticContact CE2-CG 3.44Å; F10-F68 HydrophobicContact CE2-CG 3.44Å; F10-F68 VanDerWaalsContact CE2-CG 3.44Å; F10-F68 HydrophobicContact CG-CD1 4.13Å; F10-F68 HydrophobicContact CG-CE1 4.36Å; F10-F68 HydrophobicContact CZ-CB 4.2Å; F10-F68 HydrophobicContact CZ-CG 4.45Å
11L92.8Very high88.5Confident49 Ų4969.8 Ų69.826%0.25738%0.376SS..Hα-helixtrans-63.9-36.5177.7-69.7175.4000111.8K7 Q8 S9 C14 N15 I22K7-L11 HydrophobicContact CG-CD1 4.28Å; K7-L11 VanDerWaalsContact O-CG 3.3Å; K7-L11 WeakPolarHBondContact O-CG 3.32Å; K7-L11 PolarHBondContact O-N 2.97Å; Q8-L11 PolarHBondContact O-N 3.01Å; S9-L11 PolarHBondContact O-N 2.87Å; L11-C14 PolarHBondContact O-N 3.33Å; L11-N15 VanDerWaalsContact O-CB 3.27Å; L11-N15 WeakPolarHBondContact O-CB 3.47Å; L11-N15 PolarHBondContact O-N 3.45Å; L11-I22 HydrophobicContact CD2-CB 4.11Å; L11-I22 HydrophobicContact CD2-CG2 4.17Å
12S92.6Very high90.1Very high51 Ų5168.4 Ų68.436%0.35737%0.37SS..Hα-helixtrans-61.9-44.1175.3-61.30000111.5Q8 S9 F10 F16Q8-S12 WeakPolarHBondContact O-CB 3.13Å; Q8-S12 PolarHBondContact O-N 3.11Å; Q8-S12 PolarHBondContact O-OG 3.14Å; S9-S12 WeakPolarHBondContact O-CA 3.47Å; S9-S12 WeakPolarHBondContact O-CB 3.25Å; S9-S12 PolarHBondContact O-N 3.04Å; S9-S12 VanDerWaalsContact O-N 3.09Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 2.75Å; S12-F16 VanDerWaalsContact O-CB 3.31Å; S12-F16 WeakPolarHBondContact O-CB 3.26Å; S12-F16 PolarHBondContact O-N 3.44Å
13F93.4Very high90.8Very high0 Ų066.8 Ų66.80%036%0.357CS..Hα-helixtrans-64.1-44.6173.9-79.2-74000112.4S9 F10 N15 F16 V17 T28 K31 I32 D35 I99 T102 P104S9-F13 WeakPolarHBondContact O-CD2 3.4Å; S9-F13 PolarHBondContact O-N 3.03Å; F10-F13 PolarHBondContact O-N 3.16Å; F13-N15 PolarHBondContact O-N 3.13Å; F13-F16 PolarHBondContact O-N 2.98Å; F13-V17 PolarHBondContact O-N 2.83Å; F13-V17 VanDerWaalsContact O-N 3.09Å; F13-T28 HydrophobicContact CB-CG2 4.11Å; F13-K31 HydrophobicContact CD1-CG 4.06Å; F13-K31 HydrophobicContact CE1-CG 4.45Å; F13-I32 HydrophobicContact CB-CD1 4.06Å; F13-I32 HydrophobicContact CB-CG1 3.75Å; F13-I32 HydrophobicContact CD1-CG1 3.7Å; F13-I32 HydrophobicContact CD2-CD1 4.37Å; F13-I32 HydrophobicContact CD2-CG1 3.71Å; F13-I32 HydrophobicContact CE1-CG1 4.2Å; F13-I32 HydrophobicContact CE2-CG1 4.24Å; F13-I32 HydrophobicContact CG-CD1 4.21Å; F13-I32 HydrophobicContact CG-CG1 3.44Å; F13-I32 VanDerWaalsContact CG-CG1 3.44Å; F13-I32 HydrophobicContact CZ-CG1 4.46Å; F13-D35 HydrophobicContact CE1-CB 3.95Å; F13-D35 HydrophobicContact CZ-CB 4.27Å; F13-I99 HydrophobicContact CE2-CG2 4.44Å; F13-T102 WeakPolarHBondContact CE2-O 3.16Å; F13-T102 HydrophobicContact CZ-CG2 4.2Å; F13-P104 HydrophobicContact CD1-CB 3.72Å; F13-P104 HydrophobicContact CD1-CG 4.4Å; F13-P104 HydrophobicContact CE1-CB 3.79Å; F13-P104 HydrophobicContact CG-CB 4.47Å
14C93.3Very high91.3Very high0 Ų062.5 Ų62.50%033%0.328CS..Hα-helixtrans-59.4-49.3177.4-63.70000110.9F10 L11 F16 V17 K18 S21 T23F10-C14 PolarHBondContact O-N 3.06Å; F10-C14 PolarHBondContact O-SG 3.14Å; L11-C14 PolarHBondContact O-N 3.33Å; C14-F16 VanDerWaalsContact C-N 3.3Å; C14-F16 PolarHBondContact O-N 2.89Å; C14-V17 PolarHBondContact O-N 3.14Å; C14-K18 CarbonylContact O-C 3.58Å; C14-K18 PolarHBondContact O-N 3.01Å; C14-S21 WeakPolarHBondContact CB-O 3.44Å; C14-T23 VanDerWaalsContact SG-C 3.58Å; C14-T23 PolarHBondContact SG-O 3.42Å; C14-T23 VanDerWaalsContact SG-O 3.41Å
15N92.5Very high91.5Very high67 Ų6758.9 Ų58.936%0.35831%0.31SS..Hα-helixtrans-64.4-32.1178.1-175.246.5000113L11 F13 K18 K19 G20L11-N15 VanDerWaalsContact O-CB 3.27Å; L11-N15 WeakPolarHBondContact O-CB 3.47Å; L11-N15 PolarHBondContact O-N 3.45Å; F13-N15 PolarHBondContact O-N 3.13Å; N15-K18 WeakPolarHBondContact CA-O 3.4Å; N15-K18 CarbonylContact O-C 3.55Å; N15-K19 WeakPolarHBondContact O-CA 3.49Å; N15-K19 PolarHBondContact O-N 3.36Å; N15-K19 WeakPolarHBondContact OD1-CA 3.42Å; N15-G20 PolarHBondContact OD1-N 3.03Å
16F90.7Very high91.6Very high76 Ų7656.2 Ų56.233%0.33330%0.299SS..Hα-helixtrans-66.8-45.1176-175-85.4000111.7S12 F13 C14 K31 P104 V106S12-F16 VanDerWaalsContact O-CB 3.31Å; S12-F16 WeakPolarHBondContact O-CB 3.26Å; S12-F16 PolarHBondContact O-N 3.44Å; F13-F16 PolarHBondContact O-N 2.98Å; C14-F16 VanDerWaalsContact C-N 3.3Å; C14-F16 PolarHBondContact O-N 2.89Å; F16-K31 HydrophobicContact CE1-CD 4.46Å; F16-K31 VanDerWaalsContact CE1-CE 3.43Å; F16-P104 HydrophobicContact CB-CB 3.7Å; F16-P104 HydrophobicContact CB-CG 3.81Å; F16-P104 HydrophobicContact CD1-CB 4.09Å; F16-P104 HydrophobicContact CD2-CB 3.65Å; F16-P104 HydrophobicContact CD2-CG 3.93Å; F16-P104 HydrophobicContact CE2-CB 4.27Å; F16-P104 HydrophobicContact CG-CB 3.54Å; F16-P104 HydrophobicContact CG-CG 4.02Å; F16-V106 HydrophobicContact CE2-CG2 3.94Å; F16-V106 HydrophobicContact CZ-CG2 3.9Å
17V91.3Very high91.7Very high51 Ų5162.3 Ų62.331%0.30933%0.325SS..Hα-helixtrans-73.7-44.6-179.7175.30000111.5F13 C14 K27 K31F13-V17 PolarHBondContact O-N 2.83Å; F13-V17 VanDerWaalsContact O-N 3.09Å; C14-V17 PolarHBondContact O-N 3.14Å; V17-K27 HydrophobicContact CG1-CB 3.87Å; V17-K31 HydrophobicContact CG2-CB 3.9Å; V17-K31 HydrophobicContact CG2-CG 3.99Å
18K90.8Very high91.7Very high144 Ų14457.8 Ų57.863%0.62631%0.305SS*.SBendtrans-138.1113.6176.2-178.6-178.7176.9-175.80109C14 N15 G20 S21C14-K18 CarbonylContact O-C 3.58Å; C14-K18 PolarHBondContact O-N 3.01Å; N15-K18 WeakPolarHBondContact CA-O 3.4Å; N15-K18 CarbonylContact O-C 3.55Å; K18-G20 PolarHBondContact O-N 3.04Å; K18-S21 WeakPolarHBondContact O-CB 3.37Å; K18-S21 PolarHBondContact O-N 3.16Å
19K90.8Very high91.8Very high164 Ų16452 Ų5271%0.71328%0.279SS*.THydrogen-bonded Turntrans-53.5128.7-179.6-66.9-68.8176.7-170.50111.2N15 S21N15-K19 WeakPolarHBondContact O-CA 3.49Å; N15-K19 PolarHBondContact O-N 3.36Å; N15-K19 WeakPolarHBondContact OD1-CA 3.42Å; K19-S21 PolarHBondContact O-N 3.44Å
20G89.3Confident91.9Very high66 Ų6654.5 Ų54.568%0.6829%0.288SS*.THydrogen-bonded Turntrans74.24.2-178.600000115.6N15 K18N15-G20 PolarHBondContact OD1-N 3.03Å; K18-G20 PolarHBondContact O-N 3.04Å
21S89.9Confident91.9Very high18 Ų1855.9 Ų55.913%0.12629%0.293CS..  trans-76.9136.8175.9-173.20000111.4C14 K18 K19 T23C14-S21 WeakPolarHBondContact CB-O 3.44Å; K18-S21 WeakPolarHBondContact O-CB 3.37Å; K18-S21 PolarHBondContact O-N 3.16Å; K19-S21 PolarHBondContact O-N 3.44Å; S21-T23 PolarHBondContact OG-O 3.4Å
22I90.5Very high91.9Very high124 Ų12453.7 Ų53.764%0.63628%0.282SS*.  trans-110.33.517661.9166000112.7L11L11-I22 HydrophobicContact CD2-CB 4.11Å; L11-I22 HydrophobicContact CD2-CG2 4.17Å
23T92.3Very high91.9Very high34 Ų3451.3 Ų51.321%0.20927%0.265CS..SBendtrans-120.2147-17957.20000110.4C14 S21 D62 V63C14-T23 VanDerWaalsContact SG-C 3.58Å; C14-T23 PolarHBondContact SG-O 3.42Å; C14-T23 VanDerWaalsContact SG-O 3.41Å; S21-T23 PolarHBondContact OG-O 3.4Å; T23-D62 VanDerWaalsContact CB-OD2 3.22Å; T23-D62 WeakPolarHBondContact CB-OD2 3.44Å; T23-D62 PolarHBondContact OG1-OD2 2.95Å; T23-V63 CarbonylContact C-O 3.2Å; T23-V63 WeakPolarHBondContact CA-O 3.47Å; T23-V63 WeakPolarHBondContact CB-O 3.26Å
24A91.4Very high91.8Very high0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-93.4123.4176.800000110.8F10 T28 I29 D62 V63F10-A24 HydrophobicContact CD2-CB 4.46Å; F10-A24 HydrophobicContact CE2-CB 3.36Å; F10-A24 HydrophobicContact CZ-CB 3.65Å; A24-T28 HydrophobicContact CB-CG2 3.87Å; A24-I29 HydrophobicContact CB-CD1 3.94Å; A24-D62 CarbonylContact O-C 3.54Å; A24-D62 VanDerWaalsContact O-CA 3.24Å; A24-D62 WeakPolarHBondContact O-CA 3.37Å; A24-D62 WeakPolarHBondContact O-CB 3.44Å; A24-V63 HydrophobicContact CB-CG1 3.89Å; A24-V63 PolarHBondContact N-O 2.94Å; A24-V63 PolarHBondContact O-N 3.28Å
25T92.5Very high91.7Very high40 Ų4055.3 Ų55.325%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-93.3173.9169.855.60000110.1K27 T28 I29 D62T25-K27 PolarHBondContact O-N 2.89Å; T25-T28 PolarHBondContact N-OG1 2.87Å; T25-T28 WeakPolarHBondContact O-CA 3.03Å; T25-T28 WeakPolarHBondContact O-CB 3.35Å; T25-T28 PolarHBondContact O-N 3.45Å; T25-T28 PolarHBondContact OG1-OG1 3Å; T25-I29 WeakPolarHBondContact O-CG1 3.47Å; T25-I29 PolarHBondContact O-N 3.3Å; T25-D62 HydrophobicContact CG2-CB 4.04Å
26D91.7Very high91.6Very high50 Ų5052.3 Ų52.327%0.26727%0.274SS..Hα-helixtrans-48.6-41.1170.968.7-54.1000112T28 I29 K30 F52D26-T28 PolarHBondContact O-N 3.38Å; D26-I29 PolarHBondContact O-N 3.13Å; D26-K30 WeakPolarHBondContact O-CG 3.5Å; D26-K30 PolarHBondContact O-N 3.11Å; D26-K30 IonicContact OD2-NZ 3.91Å; D26-F52 HydrophobicContact CB-CD1 4.36Å; D26-F52 HydrophobicContact CB-CE1 4.26Å
27K92.2Very high91.6Very high139 Ų13956.3 Ų56.360%0.60429%0.293SS*.Hα-helixtrans-64.3-40176.3-64.9-178-177.5179.30112.5V17 T25 K31V17-K27 HydrophobicContact CG1-CB 3.87Å; T25-K27 PolarHBondContact O-N 2.89Å; K27-K31 VanDerWaalsContact O-CB 3.32Å; K27-K31 WeakPolarHBondContact O-CB 3.39Å; K27-K31 PolarHBondContact O-N 3.4Å
28T93Very high91.6Very high2 Ų253.9 Ų53.91%0.01228%0.279CS..Hα-helixtrans-64.9-43.5175.9-46.90000110.9F13 A24 T25 D26 K31 I32F13-T28 HydrophobicContact CB-CG2 4.11Å; A24-T28 HydrophobicContact CB-CG2 3.87Å; T25-T28 PolarHBondContact N-OG1 2.87Å; T25-T28 WeakPolarHBondContact O-CA 3.03Å; T25-T28 WeakPolarHBondContact O-CB 3.35Å; T25-T28 PolarHBondContact O-N 3.45Å; T25-T28 PolarHBondContact OG1-OG1 3Å; D26-T28 PolarHBondContact O-N 3.38Å; T28-K31 WeakPolarHBondContact O-CB 3.43Å; T28-K31 PolarHBondContact O-N 2.81Å; T28-I32 HydrophobicContact CG2-CD1 4.08Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 2.94Å
29I93.3Very high91.6Very high2 Ų250.3 Ų50.31%0.0126%0.262CS..Hα-helixtrans-63.7-46.6177.3-57.3-56.8000110.9A24 T25 D26 K31 I32 C33 V48 F52 F68 F71A24-I29 HydrophobicContact CB-CD1 3.94Å; T25-I29 WeakPolarHBondContact O-CG1 3.47Å; T25-I29 PolarHBondContact O-N 3.3Å; D26-I29 PolarHBondContact O-N 3.13Å; I29-K31 PolarHBondContact O-N 3.4Å; I29-I32 PolarHBondContact O-N 3.15Å; I29-C33 WeakPolarHBondContact O-CB 3.42Å; I29-C33 PolarHBondContact O-N 3.15Å; I29-C33 PolarHBondContact O-SG 3.2Å; I29-C33 VanDerWaalsContact O-SG 3.37Å; I29-V48 HydrophobicContact CG2-CG1 3.82Å; I29-F52 HydrophobicContact CD1-CD2 4.37Å; I29-F52 HydrophobicContact CD1-CE2 4.04Å; I29-F52 HydrophobicContact CG1-CD1 4.35Å; I29-F52 HydrophobicContact CG1-CD2 3.79Å; I29-F52 HydrophobicContact CG1-CE1 4.18Å; I29-F52 HydrophobicContact CG1-CE2 3.61Å; I29-F52 HydrophobicContact CG1-CG 4.16Å; I29-F52 HydrophobicContact CG1-CZ 3.81Å; I29-F68 HydrophobicContact CD1-CD2 3.64Å; I29-F68 HydrophobicContact CD1-CE2 3.59Å; I29-F71 HydrophobicContact CG2-CE1 4.08Å
30K92.6Very high91.5Very high67 Ų6744.5 Ų44.529%0.29124%0.242SC..Hα-helixtrans-55.4-42.8173.6-75173.2-173.91730112.1D26 C33 T34 D49D26-K30 WeakPolarHBondContact O-CG 3.5Å; D26-K30 PolarHBondContact O-N 3.11Å; D26-K30 IonicContact OD2-NZ 3.91Å; K30-C33 PolarHBondContact O-N 3.41Å; K30-T34 WeakPolarHBondContact O-CB 3.46Å; K30-T34 PolarHBondContact O-N 3.35Å; K30-T34 PolarHBondContact O-OG1 3.19Å; K30-D49 WeakPolarHBondContact CE-OD1 3.33Å; K30-D49 WeakPolarHBondContact CE-OD2 2.77Å; K30-D49 IonicContact NZ-OD1 2.81Å; K30-D49 IonicContact NZ-OD2 3.99Å; K30-D49 PolarHBondContact NZ-OD2 3.23Å
31K92.4Very high91.4Very high29 Ų2951.9 Ų51.913%0.12626%0.255CS..Hα-helixtrans-63.3-48.2178.8-175.259.3177.5150.90111.4F13 F16 V17 K27 T28 I29 C33 T34 D35 A105 H107F13-K31 HydrophobicContact CD1-CG 4.06Å; F13-K31 HydrophobicContact CE1-CG 4.45Å; F16-K31 HydrophobicContact CE1-CD 4.46Å; F16-K31 VanDerWaalsContact CE1-CE 3.43Å; V17-K31 HydrophobicContact CG2-CB 3.9Å; V17-K31 HydrophobicContact CG2-CG 3.99Å; K27-K31 VanDerWaalsContact O-CB 3.32Å; K27-K31 WeakPolarHBondContact O-CB 3.39Å; K27-K31 PolarHBondContact O-N 3.4Å; T28-K31 WeakPolarHBondContact O-CB 3.43Å; T28-K31 PolarHBondContact O-N 2.81Å; I29-K31 PolarHBondContact O-N 3.4Å; K31-C33 PolarHBondContact O-N 3.22Å; K31-T34 PolarHBondContact O-N 2.94Å; K31-D35 WeakPolarHBondContact CE-OD1 3.4Å; K31-D35 WeakPolarHBondContact CE-OD2 3.13Å; K31-D35 IonicContact NZ-OD1 3.79Å; K31-D35 PolarHBondContact NZ-OD1 3.49Å; K31-D35 IonicContact NZ-OD2 2.71Å; K31-D35 PolarHBondContact NZ-OD2 3.36Å; K31-D35 WeakPolarHBondContact O-CB 3.32Å; K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.16Å; K31-A105 WeakPolarHBondContact CE-O 3.14Å; K31-A105 PolarHBondContact NZ-O 2.87Å; K31-H107 PolarHBondContact NZ-ND1 2.86Å; K31-H107 VanDerWaalsContact NZ-ND1 3.16Å
32I93.4Very high91.3Very high3 Ų358.5 Ų58.52%0.01528%0.281CS..Hα-helixtrans-57.3-50.5175.2-69165.8000110.2F13 T28 I29 T34 D35 C36 F68 I99F13-I32 HydrophobicContact CB-CD1 4.06Å; F13-I32 HydrophobicContact CB-CG1 3.75Å; F13-I32 HydrophobicContact CD1-CG1 3.7Å; F13-I32 HydrophobicContact CD2-CD1 4.37Å; F13-I32 HydrophobicContact CD2-CG1 3.71Å; F13-I32 HydrophobicContact CE1-CG1 4.2Å; F13-I32 HydrophobicContact CE2-CG1 4.24Å; F13-I32 HydrophobicContact CG-CD1 4.21Å; F13-I32 HydrophobicContact CG-CG1 3.44Å; F13-I32 VanDerWaalsContact CG-CG1 3.44Å; F13-I32 HydrophobicContact CZ-CG1 4.46Å; T28-I32 HydrophobicContact CG2-CD1 4.08Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 2.94Å; I29-I32 PolarHBondContact O-N 3.15Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.4Å; I32-D35 PolarHBondContact O-N 2.95Å; I32-C36 WeakPolarHBondContact O-CB 3.15Å; I32-C36 PolarHBondContact O-N 3.4Å; I32-C36 PolarHBondContact O-SG 3.2Å; I32-F68 HydrophobicContact CD1-CE2 3.95Å; I32-F68 HydrophobicContact CD1-CZ 3.81Å; I32-I99 HydrophobicContact CG2-CD1 3.96Å; I32-I99 HydrophobicContact CG2-CG1 3.75Å
33C92.7Very high91.3Very high1 Ų152.6 Ų52.61%0.00725%0.251CS..Hα-helixtrans-65.4-34.1-178.2-67.90000113.8I29 K30 K31 Q37 I38 Y39I29-C33 WeakPolarHBondContact O-CB 3.42Å; I29-C33 PolarHBondContact O-N 3.15Å; I29-C33 PolarHBondContact O-SG 3.2Å; I29-C33 VanDerWaalsContact O-SG 3.37Å; K30-C33 PolarHBondContact O-N 3.41Å; K31-C33 PolarHBondContact O-N 3.22Å; C33-Q37 PolarHBondContact O-N 2.93Å; C33-I38 HydrophobicContact CB-CB 4.21Å; C33-I38 PolarHBondContact O-N 2.89Å; C33-Y39 HydrophobicContact CB-CD1 4.46Å; C33-Y39 HydrophobicContact CB-CD2 4.34Å; C33-Y39 HydrophobicContact CB-CE1 3.79Å; C33-Y39 HydrophobicContact CB-CE2 3.68Å; C33-Y39 WeakPolarHBondContact CB-OH 3.19Å
34T91.7Very high91.4Very high67 Ų6754.8 Ų54.841%0.41126%0.262SS..Hα-helixtrans-68.8-51.9175.4-55.50000110.7K30 K31 I32 Q37 Y39K30-T34 WeakPolarHBondContact O-CB 3.46Å; K30-T34 PolarHBondContact O-N 3.35Å; K30-T34 PolarHBondContact O-OG1 3.19Å; K31-T34 PolarHBondContact O-N 2.94Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.4Å; T34-Q37 PolarHBondContact O-N 3.36Å; T34-Y39 WeakPolarHBondContact OG1-CE2 3.45Å
35D90.8Very high91.4Very high17 Ų1756.9 Ų56.99%0.09128%0.279CS..Hα-helixtrans-71.7-38.7-173.3-66.918.2000111.5F13 K31 I32 Q37 T102 P104 A105 H107F13-D35 HydrophobicContact CE1-CB 3.95Å; F13-D35 HydrophobicContact CZ-CB 4.27Å; K31-D35 WeakPolarHBondContact CE-OD1 3.4Å; K31-D35 WeakPolarHBondContact CE-OD2 3.13Å; K31-D35 IonicContact NZ-OD1 3.79Å; K31-D35 PolarHBondContact NZ-OD1 3.49Å; K31-D35 IonicContact NZ-OD2 2.71Å; K31-D35 PolarHBondContact NZ-OD2 3.36Å; K31-D35 WeakPolarHBondContact O-CB 3.32Å; K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.16Å; I32-D35 PolarHBondContact O-N 2.95Å; D35-Q37 PolarHBondContact O-N 3.12Å; D35-T102 HydrophobicContact CB-CG2 4.01Å; D35-P104 WeakPolarHBondContact OD2-CA 3.42Å; D35-A105 PolarHBondContact OD2-N 3.33Å; D35-H107 VanDerWaalsContact CG-CE1 3.46Å; D35-H107 IonicContact OD1-CE1 2.87Å; D35-H107 PolarHBondContact OD1-CE1 2.7Å; D35-H107 IonicContact OD1-ND1 2.91Å; D35-H107 PolarHBondContact OD1-ND1 2.88Å; D35-H107 IonicContact OD2-CE1 3.99Å
36C91.4Very high91.4Very high5 Ų559.7 Ų59.73%0.03429%0.292CS..THydrogen-bonded Turntrans-78.61.7176.3-59.60000113.1I32 I38 K98I32-C36 WeakPolarHBondContact O-CB 3.15Å; I32-C36 PolarHBondContact O-N 3.4Å; I32-C36 PolarHBondContact O-SG 3.2Å; C36-I38 VanDerWaalsContact C-N 3.29Å; C36-I38 HydrophobicContact CB-CD1 3.91Å; C36-I38 HydrophobicContact CB-CG1 3.84Å; C36-I38 PolarHBondContact O-N 2.91Å; C36-K98 HydrophobicContact CB-CB 4.24Å
37Q89.2Confident91.5Very high159 Ų15962.2 Ų62.274%0.74330%0.298SS*.THydrogen-bonded Turntrans5049.6-179-54.9179.4-61.100112C33 T34 D35 K98C33-Q37 PolarHBondContact O-N 2.93Å; T34-Q37 PolarHBondContact O-N 3.36Å; D35-Q37 PolarHBondContact O-N 3.12Å; Q37-K98 PolarHBondContact O-NZ 2.87Å
38I91.2Very high91.6Very high1 Ų155.6 Ų55.61%0.00527%0.27CS..  trans-80.8-30.3179.1-67.5173.8000110.5C33 C36 L43 Y80 L95C33-I38 HydrophobicContact CB-CB 4.21Å; C33-I38 PolarHBondContact O-N 2.89Å; C36-I38 VanDerWaalsContact C-N 3.29Å; C36-I38 HydrophobicContact CB-CD1 3.91Å; C36-I38 HydrophobicContact CB-CG1 3.84Å; C36-I38 PolarHBondContact O-N 2.91Å; I38-L43 HydrophobicContact CG2-CD2 4.11Å; I38-Y80 HydrophobicContact CG2-CD2 3.91Å; I38-Y80 HydrophobicContact CG2-CE2 4.17Å; I38-L95 HydrophobicContact CD1-CD2 3.63Å; I38-L95 HydrophobicContact CG1-CD2 3.88Å; I38-L95 HydrophobicContact CG2-CD2 3.93Å
39Y92.3Very high91.6Very high68 Ų6856.7 Ų56.727%0.26728%0.276SS..  trans-61.7139.1-179.3-62.3-54.8000112.2C33 T34 L43 A45 V48C33-Y39 HydrophobicContact CB-CD1 4.46Å; C33-Y39 HydrophobicContact CB-CD2 4.34Å; C33-Y39 HydrophobicContact CB-CE1 3.79Å; C33-Y39 HydrophobicContact CB-CE2 3.68Å; C33-Y39 WeakPolarHBondContact CB-OH 3.19Å; T34-Y39 WeakPolarHBondContact OG1-CE2 3.45Å; Y39-L43 CarbonylContact C-O 3.43Å; Y39-L43 VanDerWaalsContact CA-O 3.26Å; Y39-L43 WeakPolarHBondContact CA-O 3.5Å; Y39-L43 HydrophobicContact CD1-CD2 3.94Å; Y39-L43 WeakPolarHBondContact CD1-O 3.42Å; Y39-A45 VanDerWaalsContact CE1-CA 3.4Å; Y39-A45 HydrophobicContact CE1-CB 4.05Å; Y39-V48 HydrophobicContact CD1-CG2 4.3Å; Y39-V48 HydrophobicContact CE1-CB 4.21Å; Y39-V48 HydrophobicContact CE1-CG2 3.74Å
40S88.5Confident91.6Very high42 Ų4260.5 Ų60.529%0.29430%0.295SS..BIsolated β-bridgetrans-139.2174.1174.772.30000109.5K42 L43S40-K42 PolarHBondContact O-N 2.71Å; S40-K42 VanDerWaalsContact O-N 3.09Å; S40-K42 PolarHBondContact OG-N 2.64Å; S40-L43 PolarHBondContact N-O 2.88Å; S40-L43 CarbonylContact O-C 3.58Å; S40-L43 PolarHBondContact O-N 3.16Å; S40-L43 WeakPolarHBondContact OG-CB 3.34Å; S40-L43 PolarHBondContact OG-N 2.81Å
41K86.5Confident91.6Very high222 Ų22258.2 Ų58.297%0.96529%0.285SS*.THydrogen-bonded Turntrans-56.7-28.8178-65.6-178.5-179.9178.70113.6
42K88.4Confident91.7Very high156 Ų15656.9 Ų56.968%0.67828%0.279SS*.THydrogen-bonded Turntrans-96.9-11179.2-63.4-179-178.8175.80113.3S40 A83S40-K42 PolarHBondContact O-N 2.71Å; S40-K42 VanDerWaalsContact O-N 3.09Å; S40-K42 PolarHBondContact OG-N 2.64Å; K42-A83 HydrophobicContact CB-CB 4.03Å
43L90.8Very high91.6Very high0 Ų061.2 Ų61.20%030%0.299CS..BIsolated β-bridgetrans-132.787.2-176.1-169.7162.3000107.4I38 Y39 S40 V48 V79 Y80 A83I38-L43 HydrophobicContact CG2-CD2 4.11Å; Y39-L43 CarbonylContact C-O 3.43Å; Y39-L43 VanDerWaalsContact CA-O 3.26Å; Y39-L43 WeakPolarHBondContact CA-O 3.5Å; Y39-L43 HydrophobicContact CD1-CD2 3.94Å; Y39-L43 WeakPolarHBondContact CD1-O 3.42Å; S40-L43 PolarHBondContact N-O 2.88Å; S40-L43 CarbonylContact O-C 3.58Å; S40-L43 PolarHBondContact O-N 3.16Å; S40-L43 WeakPolarHBondContact OG-CB 3.34Å; S40-L43 PolarHBondContact OG-N 2.81Å; L43-V48 HydrophobicContact CD2-CG2 3.31Å; L43-V48 HydrophobicContact CG-CG2 4.2Å; L43-V79 HydrophobicContact CD1-CB 4.34Å; L43-V79 HydrophobicContact CD1-CG1 3.82Å; L43-V79 HydrophobicContact CG-CG1 4.02Å; L43-Y80 HydrophobicContact CD1-CD2 4.18Å; L43-A83 HydrophobicContact CB-CB 4.06Å; L43-A83 HydrophobicContact CD1-CB 4.42Å
44D93.2Very high91.5Very high80 Ų8063.3 Ų63.343%0.42832%0.317SS..  trans-94.3175.3179.467.7-12.1000111.6N46 R47 V48D44-N46 VanDerWaalsContact C-N 3.25Å; D44-N46 PolarHBondContact O-N 3.36Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 WeakPolarHBondContact OD1-CB 3.27Å; D44-R47 PolarHBondContact OD1-N 2.89Å; D44-V48 PolarHBondContact O-N 3.19Å
45A92.3Very high91.5Very high44 Ų4463 Ų6336%0.36431%0.311SS..Hα-helixtrans-58.4-38.717900000112.4Y39 V48 D49Y39-A45 VanDerWaalsContact CE1-CA 3.4Å; Y39-A45 HydrophobicContact CE1-CB 4.05Å; A45-V48 PolarHBondContact O-N 3.23Å; A45-D49 PolarHBondContact O-N 2.94Å
46N93Very high91.4Very high99 Ų9963.3 Ų63.353%0.52931%0.312SS..Hα-helixtrans-65.3-43.4178.8-176.553.6000111.9D44 V48 D49 I50D44-N46 VanDerWaalsContact C-N 3.25Å; D44-N46 PolarHBondContact O-N 3.36Å; N46-V48 PolarHBondContact O-N 2.96Å; N46-D49 PolarHBondContact O-N 3.41Å; N46-I50 WeakPolarHBondContact O-CG1 3.34Å; N46-I50 PolarHBondContact O-N 2.69Å
47R93.5Very high91.2Very high103 Ų10364.8 Ų64.839%0.38933%0.328SS..Hα-helixtrans-62.4-42.9177.8-178.259.4-176.6-171.73.7112.1D44 D49 I50 E51 V79D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 WeakPolarHBondContact OD1-CB 3.27Å; D44-R47 PolarHBondContact OD1-N 2.89Å; R47-D49 VanDerWaalsContact C-N 3.33Å; R47-I50 PolarHBondContact O-N 2.96Å; R47-E51 IonicContact CZ-OE1 3.1Å; R47-E51 IonicContact NE-OE1 3.32Å; R47-E51 PolarHBondContact NE-OE1 3.42Å; R47-E51 IonicContact NH1-OE1 2.75Å; R47-E51 IonicContact NH2-OE1 2.64Å; R47-E51 PolarHBondContact NH2-OE1 3.3Å; R47-E51 WeakPolarHBondContact O-CG 3.03Å; R47-E51 PolarHBondContact O-N 3.4Å; R47-E51 VanDerWaalsContact O-N 3.12Å; R47-V79 HydrophobicContact CG-CG1 3.86Å
48V93.9Very high90.8Very high1 Ų163 Ų631%0.00633%0.333CS..Hα-helixtrans-62.4-42.6176.6174.60000111.1I29 Y39 L43 D44 A45 N46 I50 E51 F52 L76I29-V48 HydrophobicContact CG2-CG1 3.82Å; Y39-V48 HydrophobicContact CD1-CG2 4.3Å; Y39-V48 HydrophobicContact CE1-CB 4.21Å; Y39-V48 HydrophobicContact CE1-CG2 3.74Å; L43-V48 HydrophobicContact CD2-CG2 3.31Å; L43-V48 HydrophobicContact CG-CG2 4.2Å; D44-V48 PolarHBondContact O-N 3.19Å; A45-V48 PolarHBondContact O-N 3.23Å; N46-V48 PolarHBondContact O-N 2.96Å; V48-I50 VanDerWaalsContact C-N 3.34Å; V48-I50 PolarHBondContact O-N 3.3Å; V48-E51 PolarHBondContact O-N 3.49Å; V48-F52 WeakPolarHBondContact O-CB 3.38Å; V48-F52 PolarHBondContact O-N 3.43Å; V48-L76 HydrophobicContact CG1-CD1 4.29Å; V48-L76 HydrophobicContact CG2-CD1 4.13Å
49D92.3Very high90.3Very high25 Ų2569.5 Ų69.513%0.13437%0.373CS..Hα-helixtrans-61.3-42.1177.8-81.1-4.5000112.3K30 A45 N46 R47 F52 H53K30-D49 WeakPolarHBondContact CE-OD1 3.33Å; K30-D49 WeakPolarHBondContact CE-OD2 2.77Å; K30-D49 IonicContact NZ-OD1 2.81Å; K30-D49 IonicContact NZ-OD2 3.99Å; K30-D49 PolarHBondContact NZ-OD2 3.23Å; A45-D49 PolarHBondContact O-N 2.94Å; N46-D49 PolarHBondContact O-N 3.41Å; R47-D49 VanDerWaalsContact C-N 3.33Å; D49-F52 PolarHBondContact O-N 2.91Å; D49-H53 WeakPolarHBondContact O-CB 3.48Å; D49-H53 PolarHBondContact O-N 3.22Å; D49-H53 PolarHBondContact O-ND1 2.86Å
50I94Very high89.8Confident82 Ų8272.9 Ų72.942%0.42139%0.389SS..Hα-helixtrans-61-47.1176.7-69.4165.6000110.4N46 R47 V48 F52 A54N46-I50 WeakPolarHBondContact O-CG1 3.34Å; N46-I50 PolarHBondContact O-N 2.69Å; R47-I50 PolarHBondContact O-N 2.96Å; V48-I50 VanDerWaalsContact C-N 3.34Å; V48-I50 PolarHBondContact O-N 3.3Å; I50-F52 VanDerWaalsContact C-N 3.35Å; I50-F52 PolarHBondContact O-N 2.87Å; I50-A54 VanDerWaalsContact O-CB 3.27Å; I50-A54 WeakPolarHBondContact O-CB 3.49Å; I50-A54 PolarHBondContact O-N 3.09Å
51E93.1Very high89.7Confident19 Ų1980.2 Ų80.29%0.08941%0.41CS..Hα-helixtrans-66.7-37.2179-67.6-60.6166.300112.7R47 V48 A54 H55 F71 R75 V79R47-E51 IonicContact CZ-OE1 3.1Å; R47-E51 IonicContact NE-OE1 3.32Å; R47-E51 PolarHBondContact NE-OE1 3.42Å; R47-E51 IonicContact NH1-OE1 2.75Å; R47-E51 IonicContact NH2-OE1 2.64Å; R47-E51 PolarHBondContact NH2-OE1 3.3Å; R47-E51 WeakPolarHBondContact O-CG 3.03Å; R47-E51 PolarHBondContact O-N 3.4Å; R47-E51 VanDerWaalsContact O-N 3.12Å; V48-E51 PolarHBondContact O-N 3.49Å; E51-A54 PolarHBondContact O-N 3.3Å; E51-H55 PolarHBondContact O-N 2.89Å; E51-F71 HydrophobicContact CB-CE2 4.13Å; E51-F71 HydrophobicContact CB-CZ 4.47Å; E51-R75 HydrophobicContact CB-CB 4.29Å; E51-R75 VanDerWaalsContact O-CD 3.3Å; E51-R75 WeakPolarHBondContact O-CD 3.26Å; E51-R75 WeakPolarHBondContact OE2-CD 3.48Å; E51-R75 IonicContact OE2-NH1 3.26Å; E51-R75 PolarHBondContact OE2-NH1 3.16Å; E51-V79 HydrophobicContact CG-CG2 3.77Å
52F92.8Very high89.8Confident0 Ų072.8 Ų72.80%038%0.381CS..Hα-helixtrans-65.7-47.8177.7-178.8-115000111.3D26 I29 V48 D49 I50 A54 H55 I56 V63 F71D26-F52 HydrophobicContact CB-CD1 4.36Å; D26-F52 HydrophobicContact CB-CE1 4.26Å; I29-F52 HydrophobicContact CD1-CD2 4.37Å; I29-F52 HydrophobicContact CD1-CE2 4.04Å; I29-F52 HydrophobicContact CG1-CD1 4.35Å; I29-F52 HydrophobicContact CG1-CD2 3.79Å; I29-F52 HydrophobicContact CG1-CE1 4.18Å; I29-F52 HydrophobicContact CG1-CE2 3.61Å; I29-F52 HydrophobicContact CG1-CG 4.16Å; I29-F52 HydrophobicContact CG1-CZ 3.81Å; V48-F52 WeakPolarHBondContact O-CB 3.38Å; V48-F52 PolarHBondContact O-N 3.43Å; D49-F52 PolarHBondContact O-N 2.91Å; I50-F52 VanDerWaalsContact C-N 3.35Å; I50-F52 PolarHBondContact O-N 2.87Å; F52-A54 VanDerWaalsContact C-N 3.3Å; F52-A54 PolarHBondContact O-N 2.93Å; F52-H55 WeakPolarHBondContact O-CB 2.88Å; F52-H55 PolarHBondContact O-N 3.25Å; F52-I56 HydrophobicContact CD1-CD1 4.24Å; F52-I56 HydrophobicContact CD2-CG2 4.42Å; F52-I56 HydrophobicContact CE1-CD1 3.84Å; F52-I56 HydrophobicContact CE2-CG2 3.88Å; F52-I56 HydrophobicContact CZ-CD1 4.2Å; F52-I56 HydrophobicContact CZ-CG2 3.97Å; F52-I56 WeakPolarHBondContact O-CG1 3.35Å; F52-I56 PolarHBondContact O-N 2.92Å; F52-I56 VanDerWaalsContact O-N 3.1Å; F52-V63 HydrophobicContact CE2-CB 4.27Å; F52-V63 HydrophobicContact CE2-CG1 3.81Å; F52-V63 HydrophobicContact CZ-CB 4.47Å; F52-V63 HydrophobicContact CZ-CG1 4.14Å; F52-F71 HydrophobicContact CB-CE1 4.41Å; F52-F71 HydrophobicContact CB-CE2 4.14Å; F52-F71 HydrophobicContact CB-CZ 3.81Å; F52-F71 HydrophobicContact CD2-CD1 4.15Å; F52-F71 HydrophobicContact CD2-CD2 4.46Å; F52-F71 AromaticContact CD2-CE1 3.99Å; F52-F71 HydrophobicContact CD2-CE1 3.99Å; F52-F71 HydrophobicContact CD2-CE2 4.33Å; F52-F71 HydrophobicContact CD2-CG 4.37Å; F52-F71 HydrophobicContact CD2-CZ 4.09Å; F52-F71 HydrophobicContact CG-CZ 4.45Å
53H92Very high90Very high94 Ų9465.9 Ų65.944%0.43535%0.352SS..Hα-helixtrans-62.4-37.9175.1-75.287.3000111.8D49 H55 G57D49-H53 WeakPolarHBondContact O-CB 3.48Å; D49-H53 PolarHBondContact O-N 3.22Å; D49-H53 PolarHBondContact O-ND1 2.86Å; H53-H55 PolarHBondContact O-N 3.38Å; H53-G57 WeakPolarHBondContact O-CA 3.47Å; H53-G57 PolarHBondContact O-N 3.5Å
54A91.5Very high90.1Very high45 Ų4570.1 Ų70.137%0.37238%0.375SS..Hα-helixtrans-68.8-20.7174.900000113.7I50 E51 F52 R75I50-A54 VanDerWaalsContact O-CB 3.27Å; I50-A54 WeakPolarHBondContact O-CB 3.49Å; I50-A54 PolarHBondContact O-N 3.09Å; E51-A54 PolarHBondContact O-N 3.3Å; F52-A54 VanDerWaalsContact C-N 3.3Å; F52-A54 PolarHBondContact O-N 2.93Å; A54-R75 PolarHBondContact O-NE 3.33Å; A54-R75 PolarHBondContact O-NH2 3.04Å
55H90.8Very high90.1Very high61 Ų6168.2 Ų68.228%0.28236%0.363SS..Hα-helixtrans-79.2-50.1173.9-173.870.8000112.4E51 F52 H53 G67 F71E51-H55 PolarHBondContact O-N 2.89Å; F52-H55 WeakPolarHBondContact O-CB 2.88Å; F52-H55 PolarHBondContact O-N 3.25Å; H53-H55 PolarHBondContact O-N 3.38Å; H55-G67 PolarHBondContact NE2-O 3.38Å; H55-F71 HydrophobicContact CB-CD2 3.65Å; H55-F71 HydrophobicContact CB-CE2 4.22Å; H55-F71 AromaticContact CG-CD2 3.72Å
56I89.3Confident90.1Very high24 Ų2470 Ų7012%0.12337%0.37CS..Hα-helixtrans-78.9-23.4-175.864.8-178000112.8F52 K60 V63F52-I56 HydrophobicContact CD1-CD1 4.24Å; F52-I56 HydrophobicContact CD2-CG2 4.42Å; F52-I56 HydrophobicContact CE1-CD1 3.84Å; F52-I56 HydrophobicContact CE2-CG2 3.88Å; F52-I56 HydrophobicContact CZ-CD1 4.2Å; F52-I56 HydrophobicContact CZ-CG2 3.97Å; F52-I56 WeakPolarHBondContact O-CG1 3.35Å; F52-I56 PolarHBondContact O-N 2.92Å; F52-I56 VanDerWaalsContact O-N 3.1Å; I56-K60 HydrophobicContact CB-CB 4.41Å; I56-K60 WeakPolarHBondContact CD1-O 3.29Å; I56-V63 HydrophobicContact CG2-CB 4.22Å
57G87.2Confident90Very high36 Ų3665.9 Ų65.937%0.37135%0.352SS..THydrogen-bonded Turntrans75.6-175.4-174.400000113.5H53 T59H53-G57 WeakPolarHBondContact O-CA 3.47Å; H53-G57 PolarHBondContact O-N 3.5Å; G57-T59 VanDerWaalsContact C-N 3.31Å; G57-T59 PolarHBondContact O-N 3.4Å
58S80Confident90Very high120 Ų12061.1 Ų61.184%0.83933%0.334SS*.THydrogen-bonded Turntrans-75.1-18.2-174.8-49.90000114.3
59T80.1Confident90Very high138 Ų13862.3 Ų62.385%0.84734%0.341SS*.THydrogen-bonded Turntrans-86.6-40.5-170.1-49.20000112.9G57G57-T59 VanDerWaalsContact C-N 3.31Å; G57-T59 PolarHBondContact O-N 3.4Å
60K83.5Confident90Very high139 Ų13964.1 Ų64.160%0.60436%0.356SS*.  trans-96.4151.1-176.6-64.7-176.8-178.1176.80110.6I56I56-K60 HydrophobicContact CB-CB 4.41Å; I56-K60 WeakPolarHBondContact CD1-O 3.29Å
61R84.5Confident90Very high197 Ų19760.2 Ų60.274%0.74334%0.336SS*.SBendtrans-115.1-8.1178.3-60.6-62.6-178120.1-0113
62D89.8Confident90Very high66 Ų6659.3 Ų59.335%0.35333%0.332SS..EExtended strand (participates in β ladder)trans-145.2163.8-177.962.1-22.9000110.6T23 A24 T25T23-D62 VanDerWaalsContact CB-OD2 3.22Å; T23-D62 WeakPolarHBondContact CB-OD2 3.44Å; T23-D62 PolarHBondContact OG1-OD2 2.95Å; A24-D62 CarbonylContact O-C 3.54Å; A24-D62 VanDerWaalsContact O-CA 3.24Å; A24-D62 WeakPolarHBondContact O-CA 3.37Å; A24-D62 WeakPolarHBondContact O-CB 3.44Å; T25-D62 HydrophobicContact CG2-CB 4.04Å
63V92.5Very high90Very high11 Ų1163.1 Ų63.17%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-127.5140.2-179.973.80000109.9T23 A24 F52 I56 G67 F68T23-V63 CarbonylContact C-O 3.2Å; T23-V63 WeakPolarHBondContact CA-O 3.47Å; T23-V63 WeakPolarHBondContact CB-O 3.26Å; A24-V63 HydrophobicContact CB-CG1 3.89Å; A24-V63 PolarHBondContact N-O 2.94Å; A24-V63 PolarHBondContact O-N 3.28Å; F52-V63 HydrophobicContact CE2-CB 4.27Å; F52-V63 HydrophobicContact CE2-CG1 3.81Å; F52-V63 HydrophobicContact CZ-CB 4.47Å; F52-V63 HydrophobicContact CZ-CG1 4.14Å; I56-V63 HydrophobicContact CG2-CB 4.22Å; V63-G67 VanDerWaalsContact CG2-CA 3.44Å; V63-F68 HydrophobicContact CG1-CB 4.01Å
64D93.1Very high90Very high88 Ų8860 Ų6047%0.47134%0.343SS..  trans-77.6174.3170.960.7-4000111G67 F68D64-G67 PolarHBondContact O-N 2.68Å; D64-G67 WeakPolarHBondContact OD1-CA 3.17Å; D64-G67 PolarHBondContact OD1-N 3.06Å; D64-F68 VanDerWaalsContact O-CB 3.31Å; D64-F68 WeakPolarHBondContact O-CB 3.36Å; D64-F68 PolarHBondContact O-N 3.09Å
65F92.5Very high90.1Very high40 Ų4062.7 Ų62.718%0.17534%0.344CS..Hα-helixtrans-59.1-46.7179.9175.9-104.5000113.2L6 K7 F10 G67 F68 V69L6-F65 HydrophobicContact CD2-CE2 4.49Å; L6-F65 HydrophobicContact CD2-CZ 4.46Å; L6-F65 HydrophobicContact CG-CE2 4.15Å; L6-F65 HydrophobicContact CG-CZ 4.41Å; K7-F65 HydrophobicContact CB-CD1 4.4Å; K7-F65 HydrophobicContact CB-CD2 4.15Å; K7-F65 HydrophobicContact CB-CE1 3.99Å; K7-F65 HydrophobicContact CB-CE2 3.72Å; K7-F65 HydrophobicContact CB-CG 4.47Å; K7-F65 HydrophobicContact CB-CZ 3.62Å; K7-F65 HydrophobicContact CD-CD1 4.28Å; K7-F65 HydrophobicContact CD-CE1 4.37Å; K7-F65 HydrophobicContact CG-CD1 4.18Å; K7-F65 HydrophobicContact CG-CD2 4.15Å; K7-F65 HydrophobicContact CG-CE1 4.25Å; K7-F65 HydrophobicContact CG-CE2 4.23Å; K7-F65 HydrophobicContact CG-CG 4.12Å; K7-F65 HydrophobicContact CG-CZ 4.27Å; F10-F65 HydrophobicContact CB-CD2 4.01Å; F10-F65 HydrophobicContact CB-CE2 4.29Å; F10-F65 HydrophobicContact CD1-CB 4.1Å; F10-F65 AromaticContact CD1-CD2 3.84Å; F10-F65 HydrophobicContact CD1-CD2 3.84Å; F10-F65 HydrophobicContact CD1-CG 4.45Å; F10-F65 HydrophobicContact CE1-CB 3.98Å; F10-F65 HydrophobicContact CE1-CD2 4.45Å; F10-F65 AromaticContact CG-CD2 3.89Å; F10-F65 HydrophobicContact CG-CD2 3.89Å; F65-G67 PolarHBondContact O-N 3.48Å; F65-F68 HydrophobicContact CD2-CD1 4.49Å; F65-F68 WeakPolarHBondContact O-CB 3.45Å; F65-F68 PolarHBondContact O-N 3.26Å; F65-V69 HydrophobicContact CD1-CG2 4.42Å; F65-V69 HydrophobicContact CD2-CG2 4.29Å; F65-V69 HydrophobicContact CE1-CG2 3.95Å; F65-V69 HydrophobicContact CE2-CG2 3.79Å; F65-V69 HydrophobicContact CZ-CG2 3.61Å; F65-V69 WeakPolarHBondContact O-CG2 3.4Å; F65-V69 PolarHBondContact O-N 2.92Å
66P92.6Very high90.3Very high81 Ų8160 Ų6053%0.52633%0.331SS..Hα-helixtrans-58.1-46.8175.4-24.934.7000112.8F68 V69 S70P66-F68 VanDerWaalsContact C-N 3.27Å; P66-F68 PolarHBondContact O-N 2.82Å; P66-V69 PolarHBondContact O-N 2.75Å; P66-S70 PolarHBondContact O-N 2.81Å; P66-S70 PolarHBondContact O-OG 3.36Å
67G91.9Very high90.5Very high14 Ų1458.8 Ų58.814%0.14433%0.325CS..Hα-helixtrans-65.2-31.4177.600000112.8H55 V63 D64 F65 S70 F71H55-G67 PolarHBondContact NE2-O 3.38Å; V63-G67 VanDerWaalsContact CG2-CA 3.44Å; D64-G67 PolarHBondContact O-N 2.68Å; D64-G67 WeakPolarHBondContact OD1-CA 3.17Å; D64-G67 PolarHBondContact OD1-N 3.06Å; F65-G67 PolarHBondContact O-N 3.48Å; G67-S70 PolarHBondContact O-N 2.94Å; G67-F71 WeakPolarHBondContact O-CB 3.24Å; G67-F71 PolarHBondContact O-N 2.95Å
68F93.1Very high90.8Very high2 Ų263.4 Ų63.41%0.00934%0.335CS..Hα-helixtrans-66.5-44.1173.3173.6-110.3000111.4F10 I29 I32 V63 D64 F65 P66 S70 F71 L72 I99F10-F68 HydrophobicContact CB-CE1 4.4Å; F10-F68 HydrophobicContact CD2-CB 4.2Å; F10-F68 AromaticContact CD2-CD1 3.3Å; F10-F68 HydrophobicContact CD2-CD1 3.3Å; F10-F68 HydrophobicContact CD2-CD2 4.17Å; F10-F68 AromaticContact CD2-CE1 3.54Å; F10-F68 HydrophobicContact CD2-CE1 3.54Å; F10-F68 HydrophobicContact CD2-CE2 4.38Å; F10-F68 AromaticContact CD2-CG 3.62Å; F10-F68 HydrophobicContact CD2-CG 3.62Å; F10-F68 HydrophobicContact CD2-CZ 4.07Å; F10-F68 HydrophobicContact CE2-CB 3.62Å; F10-F68 AromaticContact CE2-CD1 3.64Å; F10-F68 HydrophobicContact CE2-CD1 3.64Å; F10-F68 AromaticContact CE2-CD2 3.9Å; F10-F68 HydrophobicContact CE2-CD2 3.9Å; F10-F68 HydrophobicContact CE2-CE1 4.22Å; F10-F68 HydrophobicContact CE2-CE2 4.46Å; F10-F68 AromaticContact CE2-CG 3.44Å; F10-F68 HydrophobicContact CE2-CG 3.44Å; F10-F68 VanDerWaalsContact CE2-CG 3.44Å; F10-F68 HydrophobicContact CG-CD1 4.13Å; F10-F68 HydrophobicContact CG-CE1 4.36Å; F10-F68 HydrophobicContact CZ-CB 4.2Å; F10-F68 HydrophobicContact CZ-CG 4.45Å; I29-F68 HydrophobicContact CD1-CD2 3.64Å; I29-F68 HydrophobicContact CD1-CE2 3.59Å; I32-F68 HydrophobicContact CD1-CE2 3.95Å; I32-F68 HydrophobicContact CD1-CZ 3.81Å; V63-F68 HydrophobicContact CG1-CB 4.01Å; D64-F68 VanDerWaalsContact O-CB 3.31Å; D64-F68 WeakPolarHBondContact O-CB 3.36Å; D64-F68 PolarHBondContact O-N 3.09Å; F65-F68 HydrophobicContact CD2-CD1 4.49Å; F65-F68 WeakPolarHBondContact O-CB 3.45Å; F65-F68 PolarHBondContact O-N 3.26Å; P66-F68 VanDerWaalsContact C-N 3.27Å; P66-F68 PolarHBondContact O-N 2.82Å; F68-S70 VanDerWaalsContact C-N 3.34Å; F68-S70 PolarHBondContact O-N 3.42Å; F68-F71 WeakPolarHBondContact O-CB 3.19Å; F68-F71 PolarHBondContact O-N 3.36Å; F68-F71 VanDerWaalsContact O-N 3.16Å; F68-L72 HydrophobicContact CD1-CD1 3.96Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CD2-CG 4.45Å; F68-L72 HydrophobicContact CE1-CD1 3.41Å; F68-L72 VanDerWaalsContact CE1-CD1 3.41Å; F68-L72 HydrophobicContact CE1-CG 4.04Å; F68-L72 HydrophobicContact CE2-CD1 4.31Å; F68-L72 HydrophobicContact CE2-CD2 4.06Å; F68-L72 HydrophobicContact CE2-CG 4.07Å; F68-L72 HydrophobicContact CZ-CD1 3.62Å; F68-L72 HydrophobicContact CZ-CD2 3.93Å; F68-L72 HydrophobicContact CZ-CG 3.87Å; F68-L72 WeakPolarHBondContact O-CG 3.33Å; F68-L72 PolarHBondContact O-N 3.34Å; F68-I99 HydrophobicContact CE1-CD1 4.48Å; F68-I99 HydrophobicContact CZ-CD1 3.96Å
69V93Very high91.5Very high26 Ų2658.5 Ų58.516%0.15830%0.3CS..Hα-helixtrans-61.3-44.41751750000110.5L6 F65 P66 F71 L72 E73L6-V69 HydrophobicContact CD2-CG2 4.23Å; F65-V69 HydrophobicContact CD1-CG2 4.42Å; F65-V69 HydrophobicContact CD2-CG2 4.29Å; F65-V69 HydrophobicContact CE1-CG2 3.95Å; F65-V69 HydrophobicContact CE2-CG2 3.79Å; F65-V69 HydrophobicContact CZ-CG2 3.61Å; F65-V69 WeakPolarHBondContact O-CG2 3.4Å; F65-V69 PolarHBondContact O-N 2.92Å; P66-V69 PolarHBondContact O-N 2.75Å; V69-F71 VanDerWaalsContact C-N 3.29Å; V69-F71 PolarHBondContact O-N 3.37Å; V69-L72 WeakPolarHBondContact O-CB 3.44Å; V69-L72 PolarHBondContact O-N 2.71Å; V69-E73 HydrophobicContact CG1-CG 4.38Å; V69-E73 WeakPolarHBondContact CG1-OE1 3.3Å; V69-E73 WeakPolarHBondContact O-CG 3.49Å; V69-E73 PolarHBondContact O-N 3.09Å
70S93.5Very high92.1Very high63 Ų6352.4 Ų52.444%0.44126%0.261SS..Hα-helixtrans-62.4-35.2174.7-56.20000113P66 G67 F68 G74P66-S70 PolarHBondContact O-N 2.81Å; P66-S70 PolarHBondContact O-OG 3.36Å; G67-S70 PolarHBondContact O-N 2.94Å; F68-S70 VanDerWaalsContact C-N 3.34Å; F68-S70 PolarHBondContact O-N 3.42Å; S70-G74 WeakPolarHBondContact O-CA 3.3Å; S70-G74 PolarHBondContact O-N 3.03Å
71F94.1Very high92.6Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-65.8-43.6174.3176-118.1000111.8I29 E51 F52 H55 G67 F68 V69 R75 L76I29-F71 HydrophobicContact CG2-CE1 4.08Å; E51-F71 HydrophobicContact CB-CE2 4.13Å; E51-F71 HydrophobicContact CB-CZ 4.47Å; F52-F71 HydrophobicContact CB-CE1 4.41Å; F52-F71 HydrophobicContact CB-CE2 4.14Å; F52-F71 HydrophobicContact CB-CZ 3.81Å; F52-F71 HydrophobicContact CD2-CD1 4.15Å; F52-F71 HydrophobicContact CD2-CD2 4.46Å; F52-F71 AromaticContact CD2-CE1 3.99Å; F52-F71 HydrophobicContact CD2-CE1 3.99Å; F52-F71 HydrophobicContact CD2-CE2 4.33Å; F52-F71 HydrophobicContact CD2-CG 4.37Å; F52-F71 HydrophobicContact CD2-CZ 4.09Å; F52-F71 HydrophobicContact CG-CZ 4.45Å; H55-F71 HydrophobicContact CB-CD2 3.65Å; H55-F71 HydrophobicContact CB-CE2 4.22Å; H55-F71 AromaticContact CG-CD2 3.72Å; G67-F71 WeakPolarHBondContact O-CB 3.24Å; G67-F71 PolarHBondContact O-N 2.95Å; F68-F71 WeakPolarHBondContact O-CB 3.19Å; F68-F71 PolarHBondContact O-N 3.36Å; F68-F71 VanDerWaalsContact O-N 3.16Å; V69-F71 VanDerWaalsContact C-N 3.29Å; V69-F71 PolarHBondContact O-N 3.37Å; F71-R75 HydrophobicContact CD2-CB 4.18Å; F71-R75 HydrophobicContact CE2-CB 4.08Å; F71-R75 PolarHBondContact O-N 3.19Å; F71-L76 HydrophobicContact CD1-CB 4.44Å; F71-L76 HydrophobicContact CE1-CB 4.1Å; F71-L76 HydrophobicContact CE1-CD1 4.41Å; F71-L76 HydrophobicContact CE1-CD2 4.23Å; F71-L76 HydrophobicContact CE1-CG 4.48Å; F71-L76 HydrophobicContact CE2-CB 4.47Å; F71-L76 HydrophobicContact CZ-CB 4.12Å; F71-L76 HydrophobicContact CZ-CD1 4.27Å; F71-L76 WeakPolarHBondContact O-CB 3.45Å; F71-L76 PolarHBondContact O-N 3.45Å
72L92.3Very high92.9Very high1 Ų141.8 Ų41.81%0.00523%0.231CC..Iπ-helixtrans-61.2-50.6178.2-73.2-179.8000111.7F68 V69 L76 A77 I99F68-L72 HydrophobicContact CD1-CD1 3.96Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CD2-CG 4.45Å; F68-L72 HydrophobicContact CE1-CD1 3.41Å; F68-L72 VanDerWaalsContact CE1-CD1 3.41Å; F68-L72 HydrophobicContact CE1-CG 4.04Å; F68-L72 HydrophobicContact CE2-CD1 4.31Å; F68-L72 HydrophobicContact CE2-CD2 4.06Å; F68-L72 HydrophobicContact CE2-CG 4.07Å; F68-L72 HydrophobicContact CZ-CD1 3.62Å; F68-L72 HydrophobicContact CZ-CD2 3.93Å; F68-L72 HydrophobicContact CZ-CG 3.87Å; F68-L72 WeakPolarHBondContact O-CG 3.33Å; F68-L72 PolarHBondContact O-N 3.34Å; V69-L72 WeakPolarHBondContact O-CB 3.44Å; V69-L72 PolarHBondContact O-N 2.71Å; L72-L76 HydrophobicContact CD2-CD2 3.49Å; L72-L76 VanDerWaalsContact CD2-CD2 3.49Å; L72-A77 WeakPolarHBondContact O-CB 3.13Å; L72-A77 PolarHBondContact O-N 3.32Å; L72-I99 HydrophobicContact CD1-CD1 3.67Å; L72-I99 HydrophobicContact CD2-CD1 3.61Å; L72-I99 HydrophobicContact CG-CD1 4.3Å
73E92.4Very high92.9Very high79 Ų7939.5 Ų39.537%0.36922%0.221SC..Iπ-helixtrans-74.7-29.5-177-66.7170.7173.300113.2V69 A77 Q88 A92 K96V69-E73 HydrophobicContact CG1-CG 4.38Å; V69-E73 WeakPolarHBondContact CG1-OE1 3.3Å; V69-E73 WeakPolarHBondContact O-CG 3.49Å; V69-E73 PolarHBondContact O-N 3.09Å; E73-A77 WeakPolarHBondContact O-CB 3.34Å; E73-Q88 PolarHBondContact O-NE2 3.21Å; E73-A92 HydrophobicContact CG-CB 4.38Å; E73-K96 WeakPolarHBondContact OE1-CE 3.5Å; E73-K96 IonicContact OE1-NZ 2.6Å; E73-K96 PolarHBondContact OE1-NZ 3.49Å
74G92.9Very high92.8Very high30 Ų3042.6 Ų42.631%0.30924%0.237SC..Iπ-helixtrans-88.6-98.6-179.800000112.4S70 K78S70-G74 WeakPolarHBondContact O-CA 3.3Å; S70-G74 PolarHBondContact O-N 3.03Å; G74-K78 WeakPolarHBondContact O-CB 3.48Å; G74-K78 PolarHBondContact O-N 3.49Å; G74-K78 VanDerWaalsContact O-N 3.13Å
75R94.1Very high92.6Very high101 Ų10141.8 Ų41.838%0.38125%0.25SS..Iπ-helixtrans-66-43.5-169.3-69-176179.9-96.64.2112.7E51 A54 F71 K78 V79E51-R75 HydrophobicContact CB-CB 4.29Å; E51-R75 VanDerWaalsContact O-CD 3.3Å; E51-R75 WeakPolarHBondContact O-CD 3.26Å; E51-R75 WeakPolarHBondContact OE2-CD 3.48Å; E51-R75 IonicContact OE2-NH1 3.26Å; E51-R75 PolarHBondContact OE2-NH1 3.16Å; A54-R75 PolarHBondContact O-NE 3.33Å; A54-R75 PolarHBondContact O-NH2 3.04Å; F71-R75 HydrophobicContact CD2-CB 4.18Å; F71-R75 HydrophobicContact CE2-CB 4.08Å; F71-R75 PolarHBondContact O-N 3.19Å; R75-K78 PolarHBondContact O-N 2.88Å; R75-V79 PolarHBondContact O-N 3.17Å; R75-V79 VanDerWaalsContact O-N 3.16Å
76L93.5Very high92.6Very high3 Ų342 Ų422%0.01625%0.253CS..Iπ-helixtrans-68.8-45.7-176.4-16867.3000111.4V48 F71 L72 K78 V79 Y80 L95V48-L76 HydrophobicContact CG1-CD1 4.29Å; V48-L76 HydrophobicContact CG2-CD1 4.13Å; F71-L76 HydrophobicContact CD1-CB 4.44Å; F71-L76 HydrophobicContact CE1-CB 4.1Å; F71-L76 HydrophobicContact CE1-CD1 4.41Å; F71-L76 HydrophobicContact CE1-CD2 4.23Å; F71-L76 HydrophobicContact CE1-CG 4.48Å; F71-L76 HydrophobicContact CE2-CB 4.47Å; F71-L76 HydrophobicContact CZ-CB 4.12Å; F71-L76 HydrophobicContact CZ-CD1 4.27Å; F71-L76 WeakPolarHBondContact O-CB 3.45Å; F71-L76 PolarHBondContact O-N 3.45Å; L72-L76 HydrophobicContact CD2-CD2 3.49Å; L72-L76 VanDerWaalsContact CD2-CD2 3.49Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 2.92Å; L76-V79 PolarHBondContact O-N 3.26Å; L76-Y80 VanDerWaalsContact O-CB 3.26Å; L76-Y80 WeakPolarHBondContact O-CB 3.35Å; L76-Y80 PolarHBondContact O-N 2.85Å; L76-L95 HydrophobicContact CB-CD1 4.39Å; L76-L95 HydrophobicContact CD2-CD1 4.11Å; L76-L95 HydrophobicContact CD2-CD2 4.22Å; L76-L95 HydrophobicContact CG-CD1 4Å
77A94.3Very high92.6Very high0 Ų044.8 Ų44.80%026%0.259CS..Hα-helixtrans-57.1-42.7174.500000111.8L72 E73 V79 Y80 A81 Q88 A91 A92 L95L72-A77 WeakPolarHBondContact O-CB 3.13Å; L72-A77 PolarHBondContact O-N 3.32Å; E73-A77 WeakPolarHBondContact O-CB 3.34Å; A77-V79 PolarHBondContact O-N 3.37Å; A77-Y80 PolarHBondContact O-N 2.98Å; A77-A81 WeakPolarHBondContact O-CB 3.49Å; A77-A81 PolarHBondContact O-N 3.23Å; A77-Q88 HydrophobicContact CB-CG 3.98Å; A77-A91 HydrophobicContact CB-CB 4.2Å; A77-A91 WeakPolarHBondContact O-CB 3.22Å; A77-A92 HydrophobicContact CB-CB 3.94Å; A77-L95 HydrophobicContact CB-CD1 4.27Å
78K94.1Very high92.5Very high133 Ų13348.2 Ų48.258%0.57827%0.271SS*.Hα-helixtrans-60.2-45.9178-174.6175.4-177.1172.60113G74 R75 L76 T82G74-K78 WeakPolarHBondContact O-CB 3.48Å; G74-K78 PolarHBondContact O-N 3.49Å; G74-K78 VanDerWaalsContact O-N 3.13Å; R75-K78 PolarHBondContact O-N 2.88Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 2.92Å; K78-T82 PolarHBondContact O-N 2.97Å; K78-T82 VanDerWaalsContact O-N 3.1Å; K78-T82 PolarHBondContact O-OG1 3.41Å
79V93.2Very high92.5Very high17 Ų1754.3 Ų54.310%0.10330%0.299CS..Hα-helixtrans-71.9-37.2178.8-178.20000111.1L43 R47 E51 R75 L76 A77 T82 A83L43-V79 HydrophobicContact CD1-CB 4.34Å; L43-V79 HydrophobicContact CD1-CG1 3.82Å; L43-V79 HydrophobicContact CG-CG1 4.02Å; R47-V79 HydrophobicContact CG-CG1 3.86Å; E51-V79 HydrophobicContact CG-CG2 3.77Å; R75-V79 PolarHBondContact O-N 3.17Å; R75-V79 VanDerWaalsContact O-N 3.16Å; L76-V79 PolarHBondContact O-N 3.26Å; A77-V79 PolarHBondContact O-N 3.37Å; V79-T82 PolarHBondContact O-N 3.17Å; V79-A83 WeakPolarHBondContact O-CB 3.36Å; V79-A83 PolarHBondContact O-N 3.18Å
80Y93.5Very high92.4Very high9 Ų958.2 Ų58.24%0.03532%0.316CS..Hα-helixtrans-65.9-40.2176.1-171.7-95.1000112.3I38 L43 L76 A77 A83 N84 I86 A91 Q94 L95 K98I38-Y80 HydrophobicContact CG2-CD2 3.91Å; I38-Y80 HydrophobicContact CG2-CE2 4.17Å; L43-Y80 HydrophobicContact CD1-CD2 4.18Å; L76-Y80 VanDerWaalsContact O-CB 3.26Å; L76-Y80 WeakPolarHBondContact O-CB 3.35Å; L76-Y80 PolarHBondContact O-N 2.85Å; A77-Y80 PolarHBondContact O-N 2.98Å; Y80-A83 PolarHBondContact O-N 3.31Å; Y80-N84 WeakPolarHBondContact CD1-ND2 3.24Å; Y80-N84 WeakPolarHBondContact CD2-ND2 3.5Å; Y80-N84 WeakPolarHBondContact CE1-ND2 3.22Å; Y80-N84 VanDerWaalsContact CE2-ND2 3.26Å; Y80-N84 WeakPolarHBondContact CE2-ND2 3.36Å; Y80-N84 VanDerWaalsContact CZ-ND2 3.25Å; Y80-N84 PolarHBondContact O-N 3.42Å; Y80-N84 PolarHBondContact O-ND2 3.25Å; Y80-I86 HydrophobicContact CD1-CD1 3.98Å; Y80-I86 HydrophobicContact CE1-CD1 3.82Å; Y80-A91 HydrophobicContact CD1-CB 3.74Å; Y80-Q94 HydrophobicContact CE1-CB 4.39Å; Y80-L95 HydrophobicContact CD1-CD2 4.46Å; Y80-L95 HydrophobicContact CD1-CG 4.27Å; Y80-L95 HydrophobicContact CD2-CD2 3.94Å; Y80-L95 HydrophobicContact CE2-CD2 4.2Å; Y80-L95 HydrophobicContact CG-CD1 4.29Å; Y80-L95 HydrophobicContact CG-CD2 4.06Å; Y80-L95 HydrophobicContact CG-CG 4.23Å; Y80-K98 PolarHBondContact OH-NZ 3.46Å
81A93.2Very high92.4Very high9 Ų955.2 Ų55.27%0.07430%0.295CS..Hα-helixtrans-57.9-50.7172.400000111.2A77 A83 N84 G85 I86 A91A77-A81 WeakPolarHBondContact O-CB 3.49Å; A77-A81 PolarHBondContact O-N 3.23Å; A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 2.91Å; A81-N84 PolarHBondContact O-N 3.03Å; A81-G85 WeakPolarHBondContact O-CA 3.49Å; A81-G85 PolarHBondContact O-N 3.41Å; A81-I86 WeakPolarHBondContact CA-O 3.36Å; A81-I86 HydrophobicContact CB-CG1 4.47Å; A81-I86 WeakPolarHBondContact CB-O 3.38Å; A81-I86 PolarHBondContact O-N 2.92Å; A81-A91 HydrophobicContact CB-CB 3.93Å
82T91.3Very high92.3Very high105 Ų10555.3 Ų55.364%0.64430%0.296SS*.Hα-helixtrans-63.1-35.3178.6-47.60000112.3K78 V79K78-T82 PolarHBondContact O-N 2.97Å; K78-T82 VanDerWaalsContact O-N 3.1Å; K78-T82 PolarHBondContact O-OG1 3.41Å; V79-T82 PolarHBondContact O-N 3.17Å
83A91Very high92.3Very high17 Ų1759.6 Ų59.614%0.1432%0.318CS..Hα-helixtrans-72.4-40.318000000112.8K42 L43 V79 Y80 A81K42-A83 HydrophobicContact CB-CB 4.03Å; L43-A83 HydrophobicContact CB-CB 4.06Å; L43-A83 HydrophobicContact CD1-CB 4.42Å; V79-A83 WeakPolarHBondContact O-CB 3.36Å; V79-A83 PolarHBondContact O-N 3.18Å; Y80-A83 PolarHBondContact O-N 3.31Å; A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 2.91Å
84N89.9Confident92.2Very high76 Ų7658.6 Ų58.641%0.40631%0.313SS..Hα-helixtrans-97.2-10.1-175.7-63.9-72.8000114.1Y80 A81 I86Y80-N84 WeakPolarHBondContact CD1-ND2 3.24Å; Y80-N84 WeakPolarHBondContact CD2-ND2 3.5Å; Y80-N84 WeakPolarHBondContact CE1-ND2 3.22Å; Y80-N84 VanDerWaalsContact CE2-ND2 3.26Å; Y80-N84 WeakPolarHBondContact CE2-ND2 3.36Å; Y80-N84 VanDerWaalsContact CZ-ND2 3.25Å; Y80-N84 PolarHBondContact O-N 3.42Å; Y80-N84 PolarHBondContact O-ND2 3.25Å; A81-N84 PolarHBondContact O-N 3.03Å; N84-I86 HydrophobicContact CB-CD1 4.36Å; N84-I86 HydrophobicContact CB-CG1 4.21Å; N84-I86 HydrophobicContact CB-CG2 4.45Å
85G89.2Confident92.2Very high72 Ų7257.2 Ų57.274%0.74230%0.298SS*.THydrogen-bonded Turntrans71.834.6-177.200000113.4A81A81-G85 WeakPolarHBondContact O-CA 3.49Å; A81-G85 PolarHBondContact O-N 3.41Å
86I92.2Very high92.1Very high43 Ų4354.8 Ų54.822%0.22129%0.291CS..  trans-116.3165.6178.662.4177.2000110.5Y80 A81 N84 A91Y80-I86 HydrophobicContact CD1-CD1 3.98Å; Y80-I86 HydrophobicContact CE1-CD1 3.82Å; A81-I86 WeakPolarHBondContact CA-O 3.36Å; A81-I86 HydrophobicContact CB-CG1 4.47Å; A81-I86 WeakPolarHBondContact CB-O 3.38Å; A81-I86 PolarHBondContact O-N 2.92Å; N84-I86 HydrophobicContact CB-CD1 4.36Å; N84-I86 HydrophobicContact CB-CG1 4.21Å; N84-I86 HydrophobicContact CB-CG2 4.45Å; I86-A91 HydrophobicContact CD1-CB 3.8Å; I86-A91 HydrophobicContact CG1-CB 4.09Å
87E92.4Very high92.1Very high141 Ų14158.7 Ų58.766%0.65931%0.305SS*.  trans-68153.4175.2-73.6-60.6140.600112.4E89 E90 A91E87-E89 VanDerWaalsContact C-N 3.31Å; E87-E89 PolarHBondContact O-N 3.28Å; E87-E90 HydrophobicContact CB-CB 4.48Å; E87-E90 HydrophobicContact CB-CG 4.27Å; E87-E90 PolarHBondContact O-N 3.33Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 2.92Å
88Q90.3Very high91.9Very high86 Ų8660.8 Ų60.840%0.40231%0.314SS..Hα-helixtrans-60.9-39.7-178.3-176.3-178.8-18.100112.2E73 A77 A91 A92E73-Q88 PolarHBondContact O-NE2 3.21Å; A77-Q88 HydrophobicContact CB-CG 3.98Å; Q88-A91 WeakPolarHBondContact O-CB 3.31Å; Q88-A91 PolarHBondContact O-N 3.4Å; Q88-A92 PolarHBondContact O-N 2.95Å
89E91.5Very high91.7Very high129 Ų12954.5 Ų54.560%0.60329%0.287SS*.Hα-helixtrans-68.3-43.9-179.6-17257.2-149.300111.3E87 A91 A92 I93E87-E89 VanDerWaalsContact C-N 3.31Å; E87-E89 PolarHBondContact O-N 3.28Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.96Å; E89-A92 PolarHBondContact O-N 3.34Å; E89-I93 HydrophobicContact CG-CD1 4.32Å; E89-I93 WeakPolarHBondContact O-CG1 3.48Å; E89-I93 PolarHBondContact O-N 2.95Å
90E92.1Very high91.5Very high109 Ų10955 Ų5551%0.50929%0.293SS..Hα-helixtrans-62.9-38.5175.1-64.8-171162.800111.7E87 I93 Q94E87-E90 HydrophobicContact CB-CB 4.48Å; E87-E90 HydrophobicContact CB-CG 4.27Å; E87-E90 PolarHBondContact O-N 3.33Å; E90-I93 PolarHBondContact O-N 2.93Å; E90-Q94 WeakPolarHBondContact O-CB 3.49Å; E90-Q94 WeakPolarHBondContact O-CG 3.4Å; E90-Q94 PolarHBondContact O-N 3.36Å
91A92.5Very high91.3Very high0 Ų060.5 Ų60.50%032%0.319CS..Hα-helixtrans-59.4-46.7173.100000111.6A77 Y80 A81 I86 E87 Q88 E89 I93 Q94 L95A77-A91 HydrophobicContact CB-CB 4.2Å; A77-A91 WeakPolarHBondContact O-CB 3.22Å; Y80-A91 HydrophobicContact CD1-CB 3.74Å; A81-A91 HydrophobicContact CB-CB 3.93Å; I86-A91 HydrophobicContact CD1-CB 3.8Å; I86-A91 HydrophobicContact CG1-CB 4.09Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 2.92Å; Q88-A91 WeakPolarHBondContact O-CB 3.31Å; Q88-A91 PolarHBondContact O-N 3.4Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.96Å; A91-I93 PolarHBondContact O-N 3.35Å; A91-Q94 PolarHBondContact O-N 3.23Å; A91-L95 WeakPolarHBondContact O-CB 3.34Å; A91-L95 VanDerWaalsContact O-CG 3.22Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 3.5Å
92A92Very high90.9Very high1 Ų161.6 Ų61.61%0.00833%0.325CS..Hα-helixtrans-61.5-43.617800000111.8E73 A77 Q88 E89 L95 K96E73-A92 HydrophobicContact CG-CB 4.38Å; A77-A92 HydrophobicContact CB-CB 3.94Å; Q88-A92 PolarHBondContact O-N 2.95Å; E89-A92 PolarHBondContact O-N 3.34Å; A92-L95 PolarHBondContact O-N 3.16Å; A92-K96 VanDerWaalsContact O-CG 3.3Å; A92-K96 WeakPolarHBondContact O-CG 3.41Å; A92-K96 PolarHBondContact O-N 3.04Å
93I92Very high90.7Very high91 Ų9160.8 Ų60.847%0.46732%0.323SS..Hα-helixtrans-61.9-46.2176.7-65.5166.1000110.7E89 E90 A91 K96 R97E89-I93 HydrophobicContact CG-CD1 4.32Å; E89-I93 WeakPolarHBondContact O-CG1 3.48Å; E89-I93 PolarHBondContact O-N 2.95Å; E90-I93 PolarHBondContact O-N 2.93Å; A91-I93 PolarHBondContact O-N 3.35Å; I93-K96 PolarHBondContact O-N 2.83Å; I93-R97 VanDerWaalsContact O-CB 3.3Å; I93-R97 WeakPolarHBondContact O-CB 3.3Å; I93-R97 PolarHBondContact O-N 3.27Å
94Q91.9Very high90.5Very high59 Ų5961.4 Ų61.428%0.27633%0.326SS..Hα-helixtrans-63.1-42.3178-75.6-17445.800112.5Y80 E90 A91 R97 K98Y80-Q94 HydrophobicContact CE1-CB 4.39Å; E90-Q94 WeakPolarHBondContact O-CB 3.49Å; E90-Q94 WeakPolarHBondContact O-CG 3.4Å; E90-Q94 PolarHBondContact O-N 3.36Å; A91-Q94 PolarHBondContact O-N 3.23Å; Q94-R97 PolarHBondContact O-N 3.1Å; Q94-K98 WeakPolarHBondContact O-CB 3.27Å; Q94-K98 WeakPolarHBondContact O-CG 3.48Å; Q94-K98 PolarHBondContact O-N 3.01Å
95L92.5Very high90.2Very high0 Ų059.7 Ų59.70%032%0.322CS..Hα-helixtrans-62.5-49.2178.3-73.8168.8000111I38 L76 A77 Y80 A91 A92 R97 K98 I99I38-L95 HydrophobicContact CD1-CD2 3.63Å; I38-L95 HydrophobicContact CG1-CD2 3.88Å; I38-L95 HydrophobicContact CG2-CD2 3.93Å; L76-L95 HydrophobicContact CB-CD1 4.39Å; L76-L95 HydrophobicContact CD2-CD1 4.11Å; L76-L95 HydrophobicContact CD2-CD2 4.22Å; L76-L95 HydrophobicContact CG-CD1 4Å; A77-L95 HydrophobicContact CB-CD1 4.27Å; Y80-L95 HydrophobicContact CD1-CD2 4.46Å; Y80-L95 HydrophobicContact CD1-CG 4.27Å; Y80-L95 HydrophobicContact CD2-CD2 3.94Å; Y80-L95 HydrophobicContact CE2-CD2 4.2Å; Y80-L95 HydrophobicContact CG-CD1 4.29Å; Y80-L95 HydrophobicContact CG-CD2 4.06Å; Y80-L95 HydrophobicContact CG-CG 4.23Å; A91-L95 WeakPolarHBondContact O-CB 3.34Å; A91-L95 VanDerWaalsContact O-CG 3.22Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 3.5Å; A92-L95 PolarHBondContact O-N 3.16Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 2.91Å; L95-K98 PolarHBondContact O-N 3.27Å; L95-I99 WeakPolarHBondContact O-CD1 3.42Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.45Å; L95-I99 PolarHBondContact O-N 3.41Å
96K91.9Very high89.6Confident50 Ų5061.7 Ų61.722%0.21732%0.32CS..Hα-helixtrans-59.1-44.1176.9-70.3173.6-179175.70111.7L6 E73 A92 I93 I99 A100L6-K96 HydrophobicContact CD2-CB 4.35Å; L6-K96 HydrophobicContact CD2-CD 4.36Å; L6-K96 HydrophobicContact CD2-CG 3.91Å; E73-K96 WeakPolarHBondContact OE1-CE 3.5Å; E73-K96 IonicContact OE1-NZ 2.6Å; E73-K96 PolarHBondContact OE1-NZ 3.49Å; A92-K96 VanDerWaalsContact O-CG 3.3Å; A92-K96 WeakPolarHBondContact O-CG 3.41Å; A92-K96 PolarHBondContact O-N 3.04Å; I93-K96 PolarHBondContact O-N 2.83Å; K96-I99 PolarHBondContact O-N 2.81Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 3.37Å
97R91.9Very high88.7Confident86 Ų8665 Ų6533%0.32533%0.334SS..Hα-helixtrans-60.4-49.4177.4-177.1-179.370.974.13.4111.5M1 I93 Q94 L95 I99 A100 E101M1-R97 HydrophobicContact CE-CB 4.21Å; M1-R97 HydrophobicContact CE-CG 3.69Å; I93-R97 VanDerWaalsContact O-CB 3.3Å; I93-R97 WeakPolarHBondContact O-CB 3.3Å; I93-R97 PolarHBondContact O-N 3.27Å; Q94-R97 PolarHBondContact O-N 3.1Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 2.91Å; R97-I99 VanDerWaalsContact C-N 3.29Å; R97-I99 PolarHBondContact O-N 3.3Å; R97-A100 PolarHBondContact O-N 2.86Å; R97-E101 WeakPolarHBondContact CD-OE1 3.26Å; R97-E101 HydrophobicContact CG-CG 4.38Å; R97-E101 WeakPolarHBondContact CG-OE1 3.41Å; R97-E101 IonicContact CZ-OE1 3.66Å; R97-E101 IonicContact CZ-OE2 2.81Å; R97-E101 IonicContact NH1-OE1 3.88Å; R97-E101 PolarHBondContact NH1-OE1 2.94Å; R97-E101 IonicContact NH1-OE2 2.71Å; R97-E101 PolarHBondContact NH1-OE2 3.38Å; R97-E101 WeakPolarHBondContact O-CB 3.46Å; R97-E101 WeakPolarHBondContact O-CG 3.43Å; R97-E101 PolarHBondContact O-N 3.12Å
98K91.2Very high87.5Confident44 Ų4462.2 Ų62.219%0.19134%0.343CS..Hα-helixtrans-57.3-42.1177.6-78.4-179.5165.9-170.80112.1C36 Q37 Y80 Q94 L95 T102C36-K98 HydrophobicContact CB-CB 4.24Å; Q37-K98 PolarHBondContact O-NZ 2.87Å; Y80-K98 PolarHBondContact OH-NZ 3.46Å; Q94-K98 WeakPolarHBondContact O-CB 3.27Å; Q94-K98 WeakPolarHBondContact O-CG 3.48Å; Q94-K98 PolarHBondContact O-N 3.01Å; L95-K98 PolarHBondContact O-N 3.27Å; K98-T102 WeakPolarHBondContact O-CB 3.44Å; K98-T102 PolarHBondContact O-N 2.8Å; K98-T102 PolarHBondContact O-OG1 3.01Å
99I90.4Very high86.4Confident0 Ų059.9 Ų59.90%034%0.343CS..Hα-helixtrans-70.9-36.7-179.6-63162.6000111.5L6 S9 F13 I32 F68 L72 L95 K96 R97 T102L6-I99 HydrophobicContact CD1-CB 3.88Å; L6-I99 HydrophobicContact CD1-CG2 3.7Å; S9-I99 WeakPolarHBondContact CB-O 3.33Å; S9-I99 PolarHBondContact OG-O 3.45Å; F13-I99 HydrophobicContact CE2-CG2 4.44Å; I32-I99 HydrophobicContact CG2-CD1 3.96Å; I32-I99 HydrophobicContact CG2-CG1 3.75Å; F68-I99 HydrophobicContact CE1-CD1 4.48Å; F68-I99 HydrophobicContact CZ-CD1 3.96Å; L72-I99 HydrophobicContact CD1-CD1 3.67Å; L72-I99 HydrophobicContact CD2-CD1 3.61Å; L72-I99 HydrophobicContact CG-CD1 4.3Å; L95-I99 WeakPolarHBondContact O-CD1 3.42Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.45Å; L95-I99 PolarHBondContact O-N 3.41Å; K96-I99 PolarHBondContact O-N 2.81Å; R97-I99 VanDerWaalsContact C-N 3.29Å; R97-I99 PolarHBondContact O-N 3.3Å; I99-T102 VanDerWaalsContact O-O 3.1Å
100A88.9Confident85.5Confident28 Ų2860.6 Ų60.623%0.23136%0.356CS..Hα-helixtrans-67.7-42.1176.100000112S9 K96 R97 T102S9-A100 PolarHBondContact OG-O 3.28Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 3.37Å; R97-A100 PolarHBondContact O-N 2.86Å; A100-T102 VanDerWaalsContact C-N 3.32Å; A100-T102 PolarHBondContact O-N 3.36Å
101E87.8Confident84.6Confident124 Ų12464.6 Ų64.658%0.57937%0.372SS*.Hα-helixtrans-74.3-21.1179.9-70171-169.300113.3R97R97-E101 WeakPolarHBondContact CD-OE1 3.26Å; R97-E101 HydrophobicContact CG-CG 4.38Å; R97-E101 WeakPolarHBondContact CG-OE1 3.41Å; R97-E101 IonicContact CZ-OE1 3.66Å; R97-E101 IonicContact CZ-OE2 2.81Å; R97-E101 IonicContact NH1-OE1 3.88Å; R97-E101 PolarHBondContact NH1-OE1 2.94Å; R97-E101 IonicContact NH1-OE2 2.71Å; R97-E101 PolarHBondContact NH1-OE2 3.38Å; R97-E101 WeakPolarHBondContact O-CB 3.46Å; R97-E101 WeakPolarHBondContact O-CG 3.43Å; R97-E101 PolarHBondContact O-N 3.12Å
102T86.7Confident83.8Confident33 Ų3372.4 Ų72.420%0.20241%0.412CS..  trans-101.6132.9-174.6-52.60000111.7F13 D35 K98 I99 A100F13-T102 WeakPolarHBondContact CE2-O 3.16Å; F13-T102 HydrophobicContact CZ-CG2 4.2Å; D35-T102 HydrophobicContact CB-CG2 4.01Å; K98-T102 WeakPolarHBondContact O-CB 3.44Å; K98-T102 PolarHBondContact O-N 2.8Å; K98-T102 PolarHBondContact O-OG1 3.01Å; I99-T102 VanDerWaalsContact O-O 3.1Å; A100-T102 VanDerWaalsContact C-N 3.32Å; A100-T102 PolarHBondContact O-N 3.36Å
103S86Confident83.1Confident87 Ų8775.9 Ų75.961%0.60844%0.436SS*.  trans-105.6152.4169.2-70.40000110.9A105S103-A105 PolarHBondContact O-N 2.95Å
104P87.5Confident82.4Confident30 Ų3077 Ų7720%0.19545%0.452CS..  trans-62.5120.3-178.124.6-34000111.7F13 F16 D35F13-P104 HydrophobicContact CD1-CB 3.72Å; F13-P104 HydrophobicContact CD1-CG 4.4Å; F13-P104 HydrophobicContact CE1-CB 3.79Å; F13-P104 HydrophobicContact CG-CB 4.47Å; F16-P104 HydrophobicContact CB-CB 3.7Å; F16-P104 HydrophobicContact CB-CG 3.81Å; F16-P104 HydrophobicContact CD1-CB 4.09Å; F16-P104 HydrophobicContact CD2-CB 3.65Å; F16-P104 HydrophobicContact CD2-CG 3.93Å; F16-P104 HydrophobicContact CE2-CB 4.27Å; F16-P104 HydrophobicContact CG-CB 3.54Å; F16-P104 HydrophobicContact CG-CG 4.02Å; D35-P104 WeakPolarHBondContact OD2-CA 3.42Å
105A82.2Confident82.2Confident40 Ų4077.7 Ų77.733%0.33146%0.458SS..  trans-99147.6-178.200000111.6K31 D35 S103 H107K31-A105 WeakPolarHBondContact CE-O 3.14Å; K31-A105 PolarHBondContact NZ-O 2.87Å; D35-A105 PolarHBondContact OD2-N 3.33Å; S103-A105 PolarHBondContact O-N 2.95Å; A105-H107 PolarHBondContact O-N 3.33Å; A105-H107 VanDerWaalsContact O-N 3.12Å
106V78.4Confident82Confident115 Ų11582.1 Ų82.170%0.69749%0.486SS*.  trans-80.897.6173.8-176.50000109.2F16F16-V106 HydrophobicContact CE2-CG2 3.94Å; F16-V106 HydrophobicContact CZ-CG2 3.9Å
107H71.6Confident81.8Confident111 Ų11183.1 Ų83.151%0.51450%0.497SS..THydrogen-bonded Turntrans-82.9135.4173.4-67.1119.4000110.9K31 D35 A105 G109K31-H107 PolarHBondContact NZ-ND1 2.86Å; K31-H107 VanDerWaalsContact NZ-ND1 3.16Å; D35-H107 VanDerWaalsContact CG-CE1 3.46Å; D35-H107 IonicContact OD1-CE1 2.87Å; D35-H107 PolarHBondContact OD1-CE1 2.7Å; D35-H107 IonicContact OD1-ND1 2.91Å; D35-H107 PolarHBondContact OD1-ND1 2.88Å; D35-H107 IonicContact OD2-CE1 3.99Å; A105-H107 PolarHBondContact O-N 3.33Å; A105-H107 VanDerWaalsContact O-N 3.12Å; H107-G109 PolarHBondContact O-N 2.84Å
108G67.8Low81.5Confident83 Ų8381.3 Ų81.386%0.85650%0.495SS*.THydrogen-bonded Turntrans68.513.2174.600000115.2T110G108-T110 PolarHBondContact O-N 2.92Å
109G68Low81.3Confident38 Ų3882.7 Ų82.739%0.39251%0.511SS..  trans-57.8134.2172.200000110.3H107 K111H107-G109 PolarHBondContact O-N 2.84Å; G109-K111 PolarHBondContact O-N 3.38Å
110T73.2Confident81.1Confident144 Ų14491.2 Ų91.288%0.88354%0.543SS*.  trans-56.6109.8176.2-50.80000108.8G108 I112G108-T110 PolarHBondContact O-N 2.92Å; T110-I112 PolarHBondContact O-N 3.01Å
111K72.7Confident81Confident193 Ų19395.9 Ų95.984%0.83956%0.563SS**  trans-72.3130.7173.7-63-174.4-178.7-178.30107.7G109 S113G109-K111 PolarHBondContact O-N 3.38Å; K111-S113 PolarHBondContact O-N 3.48Å
112I74.9Confident80.8Confident164 Ų16494.9 Ų94.984%0.84157%0.565SS**  trans-62.5121.4169.9-58.8171.2000106.3T110 S114T110-I112 PolarHBondContact O-N 3.01Å; I112-S114 PolarHBondContact O-N 3.39Å; I112-S114 VanDerWaalsContact O-N 3.16Å
113S76.8Confident80.7Confident74 Ų7496.4 Ų96.452%0.51757%0.573SS.*  trans-67.9113.5176.5179.80000109.3K111 D115 T118K111-S113 PolarHBondContact O-N 3.48Å; S113-D115 VanDerWaalsContact C-N 3.32Å; S113-T118 PolarHBondContact O-OG1 3.26Å
114S77.2Confident80.7Confident114 Ų11493.4 Ų93.480%0.79755%0.55SS**  trans-96.122.2174.767.20000112.5I112I112-S114 PolarHBondContact O-N 3.39Å; I112-S114 VanDerWaalsContact O-N 3.16Å
115D88Confident80.6Confident74 Ų74100 Ų10040%0.39658%0.576SS.*  trans-64.1142.7-179.1-170.2-89.1000111.1S113 T117 T118 S119S113-D115 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3Å; D115-T117 VanDerWaalsContact O-N 3.14Å; D115-T117 WeakPolarHBondContact OD1-CB 3.37Å; D115-T117 PolarHBondContact OD1-N 3.05Å; D115-T117 PolarHBondContact OD1-OG1 2.64Å; D115-T118 PolarHBondContact N-OG1 2.97Å; D115-T118 PolarHBondContact O-N 3.32Å; D115-T118 VanDerWaalsContact O-N 3.15Å; D115-T118 PolarHBondContact O-OG1 2.9Å; D115-S119 WeakPolarHBondContact O-CB 3.44Å; D115-S119 PolarHBondContact O-N 3.32Å
116P88.3Confident80.7Confident92 Ų92102.2 Ų102.260%0.59759%0.586SS**Hα-helixtrans-55.2-31.5176.821.1-35.4000113.2R120P116-R120 WeakPolarHBondContact O-CB 3.41Å; P116-R120 VanDerWaalsContact O-CG 3.32Å; P116-R120 WeakPolarHBondContact O-CG 3.12Å; P116-R120 PolarHBondContact O-N 3.48Å
117T88.9Confident81Confident71 Ų71100.3 Ų100.344%0.43657%0.568SS.*Hα-helixtrans-68.8-47.6178-47.70000110.9D115 R120 L121D115-T117 PolarHBondContact O-N 3Å; D115-T117 VanDerWaalsContact O-N 3.14Å; D115-T117 WeakPolarHBondContact OD1-CB 3.37Å; D115-T117 PolarHBondContact OD1-N 3.05Å; D115-T117 PolarHBondContact OD1-OG1 2.64Å; T117-R120 PolarHBondContact O-N 3.4Å; T117-L121 HydrophobicContact CG2-CD1 4.1Å; T117-L121 VanDerWaalsContact O-CG 3.28Å; T117-L121 WeakPolarHBondContact O-CG 3.47Å; T117-L121 PolarHBondContact O-N 2.96Å
118T85.7Confident81.7Confident48 Ų48100.6 Ų100.629%0.29458%0.578SS.*Hα-helixtrans-65.2-42.8177.4540000110.5S113 D115 R120 L121 T122S113-T118 PolarHBondContact O-OG1 3.26Å; D115-T118 PolarHBondContact N-OG1 2.97Å; D115-T118 PolarHBondContact O-N 3.32Å; D115-T118 VanDerWaalsContact O-N 3.15Å; D115-T118 PolarHBondContact O-OG1 2.9Å; T118-R120 VanDerWaalsContact C-N 3.34Å; T118-R120 PolarHBondContact O-N 2.95Å; T118-L121 PolarHBondContact O-N 3.06Å; T118-L121 VanDerWaalsContact O-N 3.16Å; T118-T122 WeakPolarHBondContact O-CG2 3.12Å; T118-T122 PolarHBondContact O-N 3.1Å; T118-T122 PolarHBondContact O-OG1 3.5Å
119S86.2Confident82.6Confident74 Ų7499.5 Ų99.552%0.51757%0.567SS.*Hα-helixtrans-56.8-45.4176.6-174.30000112.4D115 T122 N123D115-S119 WeakPolarHBondContact O-CB 3.44Å; D115-S119 PolarHBondContact O-N 3.32Å; S119-T122 PolarHBondContact O-N 3.19Å; S119-T122 PolarHBondContact O-OG1 3.4Å; S119-N123 WeakPolarHBondContact O-CB 3.45Å; S119-N123 PolarHBondContact O-N 3.1Å; S119-N123 VanDerWaalsContact O-N 3.13Å
120R87Confident83.4Confident179 Ų179102.2 Ų102.268%0.67558%0.579SS**Hα-helixtrans-61.2-47.1174.6-81.4169.642.9-161.1-11112.4P116 T117 T118 T122 N123P116-R120 WeakPolarHBondContact O-CB 3.41Å; P116-R120 VanDerWaalsContact O-CG 3.32Å; P116-R120 WeakPolarHBondContact O-CG 3.12Å; P116-R120 PolarHBondContact O-N 3.48Å; T117-R120 PolarHBondContact O-N 3.4Å; T118-R120 VanDerWaalsContact C-N 3.34Å; T118-R120 PolarHBondContact O-N 2.95Å; R120-T122 VanDerWaalsContact C-N 3.3Å; R120-T122 PolarHBondContact O-N 3.41Å; R120-N123 PolarHBondContact O-N 3.37Å
121L85.4Confident83.9Confident126 Ų126100 Ų10066%0.6656%0.559SS**Hα-helixtrans-68.4-28.6-177.9-69.6170.8000112.8T117 T118T117-L121 HydrophobicContact CG2-CD1 4.1Å; T117-L121 VanDerWaalsContact O-CG 3.28Å; T117-L121 WeakPolarHBondContact O-CG 3.47Å; T117-L121 PolarHBondContact O-N 2.96Å; T118-L121 PolarHBondContact O-N 3.06Å; T118-L121 VanDerWaalsContact O-N 3.16Å
122T83.7Confident84.5Confident102 Ų10296 Ų9663%0.62654%0.542SS*.THydrogen-bonded Turntrans-94.51.7178.660.40000113.9T118 S119 R120 V124T118-T122 WeakPolarHBondContact O-CG2 3.12Å; T118-T122 PolarHBondContact O-N 3.1Å; T118-T122 PolarHBondContact O-OG1 3.5Å; S119-T122 PolarHBondContact O-N 3.19Å; S119-T122 PolarHBondContact O-OG1 3.4Å; R120-T122 VanDerWaalsContact C-N 3.3Å; R120-T122 PolarHBondContact O-N 3.41Å; T122-V124 PolarHBondContact O-N 2.76Å; T122-V124 VanDerWaalsContact O-N 3.11Å
123N86.2Confident84.9Confident66 Ų6694.1 Ų94.135%0.35353%0.529SS..  trans-77.7101.1-178.2-174.3-5.5000111.6S119 R120 K125 T126S119-N123 WeakPolarHBondContact O-CB 3.45Å; S119-N123 PolarHBondContact O-N 3.1Å; S119-N123 VanDerWaalsContact O-N 3.13Å; R120-N123 PolarHBondContact O-N 3.37Å; N123-K125 PolarHBondContact O-N 3.33Å; N123-K125 VanDerWaalsContact O-N 3.16Å; N123-K125 WeakPolarHBondContact OD1-CB 3.4Å; N123-K125 PolarHBondContact OD1-N 3.3Å; N123-T126 HydrophobicContact CB-CG2 4.26Å; N123-T126 PolarHBondContact O-N 2.87Å; N123-T126 VanDerWaalsContact O-N 3.14Å; N123-T126 PolarHBondContact O-OG1 3.47Å
124V85.1Confident85.4Confident23 Ų2394.5 Ų94.514%0.13952%0.519CS..G310 helixtrans-59.9-26.7-178.8176.50000113.7T122 T126 F127 F135T122-V124 PolarHBondContact O-N 2.76Å; T122-V124 VanDerWaalsContact O-N 3.11Å; V124-T126 PolarHBondContact O-N 3.16Å; V124-T126 VanDerWaalsContact O-N 3.13Å; V124-F127 HydrophobicContact CB-CD2 4.22Å; V124-F127 HydrophobicContact CB-CE2 4.44Å; V124-F127 HydrophobicContact CG1-CD2 4.12Å; V124-F127 HydrophobicContact CG2-CD2 4.44Å; V124-F127 HydrophobicContact CG2-CE2 4.22Å; V124-F127 PolarHBondContact O-N 3.39Å; V124-F127 VanDerWaalsContact O-N 3.11Å; V124-F135 HydrophobicContact CB-CG 4.48Å; V124-F135 HydrophobicContact CG1-CB 3.27Å; V124-F135 HydrophobicContact CG1-CD1 4.12Å; V124-F135 HydrophobicContact CG1-CD2 3.75Å; V124-F135 HydrophobicContact CG1-CG 3.47Å; V124-F135 VanDerWaalsContact CG1-CG 3.47Å; V124-F135 HydrophobicContact CG2-CD1 3.92Å; V124-F135 HydrophobicContact CG2-CE1 4.23Å; V124-F135 HydrophobicContact CG2-CG 4.12Å
125K84.9Confident85.9Confident168 Ų16891.7 Ų91.773%0.7349%0.493SS*.G310 helixtrans-64.9-18.9-179.8-60.2-176.2178.9-177.50113N123N123-K125 PolarHBondContact O-N 3.33Å; N123-K125 VanDerWaalsContact O-N 3.16Å; N123-K125 WeakPolarHBondContact OD1-CB 3.4Å; N123-K125 PolarHBondContact OD1-N 3.3Å
126T84.9Confident85.8Confident88 Ų8890.9 Ų90.954%0.5449%0.488SS..G310 helixtrans-86.3-10.9179.267.60000113.3N123 V124N123-T126 HydrophobicContact CB-CG2 4.26Å; N123-T126 PolarHBondContact O-N 2.87Å; N123-T126 VanDerWaalsContact O-N 3.14Å; N123-T126 PolarHBondContact O-OG1 3.47Å; V124-T126 PolarHBondContact O-N 3.16Å; V124-T126 VanDerWaalsContact O-N 3.13Å
127F85.1Confident85.4Confident75 Ų7590.2 Ų90.233%0.32949%0.49SS..  trans-71.4135.3176.2-67.4-53.6000111.4V124 H131 F135V124-F127 HydrophobicContact CB-CD2 4.22Å; V124-F127 HydrophobicContact CB-CE2 4.44Å; V124-F127 HydrophobicContact CG1-CD2 4.12Å; V124-F127 HydrophobicContact CG2-CD2 4.44Å; V124-F127 HydrophobicContact CG2-CE2 4.22Å; V124-F127 PolarHBondContact O-N 3.39Å; V124-F127 VanDerWaalsContact O-N 3.11Å; F127-H131 HydrophobicContact CB-CB 4.44Å; F127-F135 HydrophobicContact CD2-CD2 4.13Å; F127-F135 AromaticContact CD2-CE2 3.79Å; F127-F135 HydrophobicContact CD2-CE2 3.79Å; F127-F135 HydrophobicContact CD2-CZ 4.49Å; F127-F135 AromaticContact CE2-CE2 3.85Å; F127-F135 HydrophobicContact CE2-CE2 3.85Å; F127-F135 HydrophobicContact CE2-CZ 4.1Å
128T86.5Confident85.1Confident117 Ų11795.4 Ų95.472%0.71851%0.51SS*.  trans-116167.5-179.862.30000111.1
129G86.5Confident85Confident60 Ų6097 Ų9762%0.61952%0.52SS*.G310 helixtrans62.2-153-179.700000113.5H131 K132G129-H131 PolarHBondContact O-N 3.13Å; G129-H131 VanDerWaalsContact O-N 3.1Å; G129-K132 PolarHBondContact O-N 3.4Å; G129-K132 VanDerWaalsContact O-N 3.15Å
130S83.3Confident84.9Confident94 Ų9495 Ų9566%0.65751%0.51SS*.G310 helixtrans-62.4-17.2-179.258.80000113.9K132 E133S130-K132 VanDerWaalsContact C-N 3.26Å; S130-K132 PolarHBondContact O-N 2.99Å; S130-E133 PolarHBondContact O-N 2.76Å
131H83.7Confident84.8Confident99 Ų9993.8 Ų93.846%0.45851%0.51SS..G310 helixtrans-67.4-27.4176.4-76.5-94.4000113.1F127 G129 R134F127-H131 HydrophobicContact CB-CB 4.44Å; G129-H131 PolarHBondContact O-N 3.13Å; G129-H131 VanDerWaalsContact O-N 3.1Å; H131-R134 WeakPolarHBondContact O-CB 3.46Å; H131-R134 PolarHBondContact O-N 3.18Å
132K85.9Confident84.9Confident109 Ų10990.3 Ų90.347%0.47450%0.504SS..G310 helixtrans-66.3-38.9178.5-171.4-179.8175.4-173.40111.8G129 S130 R134 F135G129-K132 PolarHBondContact O-N 3.4Å; G129-K132 VanDerWaalsContact O-N 3.15Å; S130-K132 VanDerWaalsContact C-N 3.26Å; S130-K132 PolarHBondContact O-N 2.99Å; K132-R134 PolarHBondContact O-N 2.91Å; K132-F135 PolarHBondContact O-N 2.92Å; K132-F135 VanDerWaalsContact O-N 3.14Å
133E84.2Confident85.1Confident124 Ų12489.2 Ų89.258%0.57949%0.494SS*.G310 helixtrans-64-12.2178.6-55.5-52.7142.700113.3S130 F135 L143 G147S130-E133 PolarHBondContact O-N 2.76Å; E133-F135 VanDerWaalsContact C-N 3.26Å; E133-F135 PolarHBondContact O-N 2.98Å; E133-L143 WeakPolarHBondContact O-CD1 3.41Å; E133-G147 WeakPolarHBondContact O-CA 3.36Å
134R86.2Confident85.1Confident82 Ų8287.7 Ų87.731%0.30949%0.494SS..G310 helixtrans-77.2-12.2177.2-62.4170.656167.6-5.3113.1H131 K132 L143 G147 R148H131-R134 WeakPolarHBondContact O-CB 3.46Å; H131-R134 PolarHBondContact O-N 3.18Å; K132-R134 PolarHBondContact O-N 2.91Å; R134-L143 PolarHBondContact O-N 3.16Å; R134-G147 VanDerWaalsContact CG-O 3.28Å; R134-G147 WeakPolarHBondContact CG-O 3.12Å; R134-R148 HydrophobicContact CG-CG 4.4Å
135F88.7Confident85Confident55 Ų5595.1 Ų95.124%0.24152%0.524CS..BIsolated β-bridgetrans-130.5148.9-174.2-57.1-91.2000112V124 F127 K132 E133 A137 K141V124-F135 HydrophobicContact CB-CG 4.48Å; V124-F135 HydrophobicContact CG1-CB 3.27Å; V124-F135 HydrophobicContact CG1-CD1 4.12Å; V124-F135 HydrophobicContact CG1-CD2 3.75Å; V124-F135 HydrophobicContact CG1-CG 3.47Å; V124-F135 VanDerWaalsContact CG1-CG 3.47Å; V124-F135 HydrophobicContact CG2-CD1 3.92Å; V124-F135 HydrophobicContact CG2-CE1 4.23Å; V124-F135 HydrophobicContact CG2-CG 4.12Å; F127-F135 HydrophobicContact CD2-CD2 4.13Å; F127-F135 AromaticContact CD2-CE2 3.79Å; F127-F135 HydrophobicContact CD2-CE2 3.79Å; F127-F135 HydrophobicContact CD2-CZ 4.49Å; F127-F135 AromaticContact CE2-CE2 3.85Å; F127-F135 HydrophobicContact CE2-CE2 3.85Å; F127-F135 HydrophobicContact CE2-CZ 4.1Å; K132-F135 PolarHBondContact O-N 2.92Å; K132-F135 VanDerWaalsContact O-N 3.14Å; E133-F135 VanDerWaalsContact C-N 3.26Å; E133-F135 PolarHBondContact O-N 2.98Å; F135-A137 PolarHBondContact O-N 2.93Å; F135-K141 CarbonylContact C-O 3.55Å; F135-K141 WeakPolarHBondContact CA-O 3.41Å
136N85.4Confident84.8Confident56 Ų5691 Ų9130%0.29952%0.522SS..  trans-71124.8170.9-179.5-65000109.5E138 T139 G140 K141 L143N136-E138 VanDerWaalsContact C-N 3.31Å; N136-E138 PolarHBondContact O-N 3.36Å; N136-E138 PolarHBondContact OD1-N 3.37Å; N136-T139 WeakPolarHBondContact CB-OG1 3.38Å; N136-T139 VanDerWaalsContact CG-OG1 3.27Å; N136-T139 PolarHBondContact OD1-N 3.18Å; N136-T139 PolarHBondContact OD1-OG1 2.84Å; N136-G140 VanDerWaalsContact O-CA 3.26Å; N136-G140 WeakPolarHBondContact O-CA 3.45Å; N136-G140 PolarHBondContact O-N 3.48Å; N136-K141 PolarHBondContact N-O 2.88Å; N136-L143 HydrophobicContact CB-CD2 3.87Å; N136-L143 HydrophobicContact CB-CG 4.5Å
137A79.3Confident84.7Confident78 Ų7887.6 Ų87.665%0.64550%0.504SS*.THydrogen-bonded Turntrans-66.8-28.1-174.400000114.4F135F135-A137 PolarHBondContact O-N 2.93Å
138E83.5Confident84.5Confident181 Ų18191.7 Ų91.785%0.84652%0.517SS*.THydrogen-bonded Turntrans-85-47.8-177.9-170.1-175.6164.500111.3N136N136-E138 VanDerWaalsContact C-N 3.31Å; N136-E138 PolarHBondContact O-N 3.36Å; N136-E138 PolarHBondContact OD1-N 3.37Å
139T83.2Confident84.2Confident82 Ų8290.5 Ų90.550%0.50351%0.509SS..THydrogen-bonded Turntrans-93.2-17.3-174.262.30000114.1N136 K141N136-T139 WeakPolarHBondContact CB-OG1 3.38Å; N136-T139 VanDerWaalsContact CG-OG1 3.27Å; N136-T139 PolarHBondContact OD1-N 3.18Å; N136-T139 PolarHBondContact OD1-OG1 2.84Å; T139-K141 PolarHBondContact O-N 2.94Å; T139-K141 PolarHBondContact OG1-N 3.49Å
140G83.3Confident83.4Confident30 Ų3094.6 Ų94.631%0.30952%0.517SS..  trans69.63.5-172.300000114.4N136N136-G140 VanDerWaalsContact O-CA 3.26Å; N136-G140 WeakPolarHBondContact O-CA 3.45Å; N136-G140 PolarHBondContact O-N 3.48Å
141K85.2Confident82.5Confident155 Ų15593.5 Ų93.567%0.67451%0.508SS*.  trans-76143.4178.8-68.5-176.5178.9178.50110.7F135 N136 T139F135-K141 CarbonylContact C-O 3.55Å; F135-K141 WeakPolarHBondContact CA-O 3.41Å; N136-K141 PolarHBondContact N-O 2.88Å; T139-K141 PolarHBondContact O-N 2.94Å; T139-K141 PolarHBondContact OG1-N 3.49Å
142G89Confident81.6Confident52 Ų5294.5 Ų94.554%0.53652%0.521SS..BIsolated β-bridgetrans-64.8136.4173.300000111.7G144G142-G144 PolarHBondContact O-N 3.4Å
143L86.2Confident80.5Confident80 Ų8093.2 Ų93.242%0.41952%0.524SS..  trans-78.7-1.4176.7-64.5177.2000113.1E133 R134 N136 K145 A146E133-L143 WeakPolarHBondContact O-CD1 3.41Å; R134-L143 PolarHBondContact O-N 3.16Å; N136-L143 HydrophobicContact CB-CD2 3.87Å; N136-L143 HydrophobicContact CB-CG 4.5Å; L143-K145 PolarHBondContact O-N 3.35Å; L143-A146 PolarHBondContact O-N 3.46Å
144G87.4Confident79.2Confident34 Ų3490.9 Ų90.935%0.35152%0.521SS..THydrogen-bonded Turntrans67.2-127.2178.600000112.3G142G142-G144 PolarHBondContact O-N 3.4Å
145K83Confident77.9Confident178 Ų17894.9 Ų94.977%0.77454%0.541SS*.THydrogen-bonded Turntrans-69.1-36178.9-69.4-175.4179.2-178.60112.3L143 G147 R148 V149L143-K145 PolarHBondContact O-N 3.35Å; K145-G147 VanDerWaalsContact C-N 3.26Å; K145-G147 PolarHBondContact O-N 2.91Å; K145-R148 PolarHBondContact O-N 3.35Å; K145-V149 WeakPolarHBondContact O-CG2 3.5Å; K145-V149 PolarHBondContact O-N 3.18Å
146A80.9Confident76.5Confident83 Ų8395.3 Ų95.369%0.68655%0.548SS*.THydrogen-bonded Turntrans-61.5-34.4-177.300000112.5L143 R148L143-A146 PolarHBondContact O-N 3.46Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 3.38Å
147G81.4Confident75.4Confident15 Ų15100.1 Ų100.116%0.15558%0.579CS.*THydrogen-bonded Turntrans-85.88.7175.800000115E133 R134 K145E133-G147 WeakPolarHBondContact O-CA 3.36Å; R134-G147 VanDerWaalsContact CG-O 3.28Å; R134-G147 WeakPolarHBondContact CG-O 3.12Å; K145-G147 VanDerWaalsContact C-N 3.26Å; K145-G147 PolarHBondContact O-N 2.91Å
148R81.6Confident74.7Confident161 Ų161102.4 Ų102.461%0.60859%0.59SS**THydrogen-bonded Turntrans-127.1-22.8179.6-66.7-174.7-173.6126.91.2113.9R134 K145 A146R134-R148 HydrophobicContact CG-CG 4.4Å; K145-R148 PolarHBondContact O-N 3.35Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 3.38Å
149V80.4Confident73.7Confident92 Ų9295.2 Ų95.256%0.55857%0.565SS**SBendtrans-95.7113.3178.3177.80000106.7K145 P151K145-V149 WeakPolarHBondContact O-CG2 3.5Å; K145-V149 PolarHBondContact O-N 3.18Å; V149-P151 VanDerWaalsContact O-CD 3.25Å; V149-P151 WeakPolarHBondContact O-CD 3.44Å
150D69.7Low72.5Confident147 Ų14796.6 Ų96.679%0.78657%0.568SS**  trans-66.6114.6164.1-64.6-43.1000106.9T152D150-T152 PolarHBondContact O-N 3.36Å
151P64.1Low71.4Confident70 Ų7097.3 Ų97.346%0.45557%0.569SS.*  trans-61.8115.5179.624.5-31.2000108.1V149V149-P151 VanDerWaalsContact O-CD 3.25Å; V149-P151 WeakPolarHBondContact O-CD 3.44Å
152T65.4Low70.1Confident121 Ų12198.1 Ų98.174%0.74258%0.575SS**PPolyproline II helixtrans-56.5134.8170.550.40000108.3D150 C154D150-T152 PolarHBondContact O-N 3.36Å; T152-C154 PolarHBondContact O-N 2.98Å
153P61.5Low68.5Low81 Ų8199.7 Ų99.753%0.52658%0.576SS.*PPolyproline II helixtrans-56.1117.9175.323.1-31.9000108.3I160P153-I160 HydrophobicContact CB-CG2 3.99Å
154C57.7Low67Low76 Ų76106.8 Ų106.851%0.51460%0.597SS.*PPolyproline II helixtrans-84.7128.7175.5-173.60000107.9T152 T156 S161T152-C154 PolarHBondContact O-N 2.98Å; C154-T156 PolarHBondContact O-N 2.6Å; C154-S161 PolarHBondContact O-N 2.98Å; C154-S161 PolarHBondContact O-OG 3.21Å
155F59.6Low65.2Low166 Ų166117.9 Ų117.973%0.72864%0.636SS**EExtended strand (participates in β ladder)trans-72.3108.2169-123.6-90.1000107.7I160F155-I160 HydrophobicContact CD2-CG1 3.95Å; F155-I160 HydrophobicContact CE1-CG1 4.43Å; F155-I160 HydrophobicContact CE2-CD1 3.93Å; F155-I160 HydrophobicContact CE2-CG1 3.45Å; F155-I160 VanDerWaalsContact CE2-CG1 3.45Å; F155-I160 HydrophobicContact CZ-CD1 4.21Å; F155-I160 HydrophobicContact CZ-CG1 3.73Å
156T58.3Low64.3Low64 Ų64114.9 Ų114.939%0.39363%0.629SS.*EExtended strand (participates in β ladder)trans-102.6159.1173.766.80000109.5C154 S158 G159C154-T156 PolarHBondContact O-N 2.6Å; T156-S158 PolarHBondContact O-N 2.94Å; T156-G159 PolarHBondContact N-O 3.03Å; T156-G159 CarbonylContact O-C 3.56Å; T156-G159 PolarHBondContact O-N 3.2Å; T156-G159 PolarHBondContact OG1-O 3.44Å
157T62.1Low63.5Low156 Ų156116.6 Ų116.696%0.95763%0.626SS**THydrogen-bonded Turntrans-57.2-21.9179.5-48.70000113.1
158S65.7Low62.5Low126 Ų126122.2 Ų122.288%0.88165%0.652SS**THydrogen-bonded Turntrans-92.76.1177.7-50.90000114T156T156-S158 PolarHBondContact O-N 2.94Å
159G62.7Low61.3Low31 Ų31119.9 Ų119.932%0.3265%0.654SS.*EExtended strand (participates in β ladder)trans123.9-179.5-178.800000113.6T156 S161T156-G159 PolarHBondContact N-O 3.03Å; T156-G159 CarbonylContact O-C 3.56Å; T156-G159 PolarHBondContact O-N 3.2Å; T156-G159 PolarHBondContact OG1-O 3.44Å; G159-S161 PolarHBondContact O-N 3.4Å; G159-S161 VanDerWaalsContact O-N 3.12Å
160I57.4Low60.2Low110 Ų110121.7 Ų121.756%0.56466%0.661SS**EExtended strand (participates in β ladder)trans-64.5111.9170.2-58.6168.1000106.1P153 F155 E162P153-I160 HydrophobicContact CB-CG2 3.99Å; F155-I160 HydrophobicContact CD2-CG1 3.95Å; F155-I160 HydrophobicContact CE1-CG1 4.43Å; F155-I160 HydrophobicContact CE2-CD1 3.93Å; F155-I160 HydrophobicContact CE2-CG1 3.45Å; F155-I160 VanDerWaalsContact CE2-CG1 3.45Å; F155-I160 HydrophobicContact CZ-CD1 4.21Å; F155-I160 HydrophobicContact CZ-CG1 3.73Å; I160-E162 PolarHBondContact O-N 3.34Å
161S59.8Low59.5Low46 Ų46120 Ų12032%0.32265%0.652SS.*PPolyproline II helixtrans-62.5123.917268.80000107C154 G159C154-S161 PolarHBondContact O-N 2.98Å; C154-S161 PolarHBondContact O-OG 3.21Å; G159-S161 PolarHBondContact O-N 3.4Å; G159-S161 VanDerWaalsContact O-N 3.12Å
162E57.7Low59.2Low172 Ų172123.6 Ų123.680%0.80467%0.666SS**PPolyproline II helixtrans-50.3139.3167.8-72.3-174.5171.800108.5I160 R164I160-E162 PolarHBondContact O-N 3.34Å; E162-R164 PolarHBondContact O-N 3.05Å
163P55Low58.7Low85 Ų85123.8 Ų123.855%0.55266%0.66SS**PPolyproline II helixtrans-53.5118.1173.421.8-30.5000107.4K165P163-K165 PolarHBondContact O-N 2.96Å
164R56.3Low58.5Low228 Ų228127.3 Ų127.386%0.8667%0.672SS**  trans-59.1110.3173.4-83.5-174.6176.4166-0.7106.7E162E162-R164 PolarHBondContact O-N 3.05Å
165K49.6Very low58.6Low268 Ų268132 Ų132100%1.16569%0.686SS**  trans-610163.8-84.7-172.1176.9-179.30110.2P163P163-K165 PolarHBondContact O-N 2.96Å

Retrieved 165 of 165 residues in 75 ms (Link to these results)

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