A0A096MLI6_PAPAN Loading...

Lysophosphatidic acid receptor 5

AlphaFold DB (A0A2K5KKW9), UniProt , Accession A0A096MLI6, Species PAPAN (Papio anubis, Olive baboon), Gene LPAR5, Length 372 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
1M36Very low41.2Very low248 Ų248134.8 Ų134.8100%1.22282%0.822SS**  0135.40-72.5177.4-171.700107.9
2L34.1Very low43.7Very low176 Ų176128.3 Ų128.392%0.92178%0.782SS**  trans-62.8141.4-159.4-71.8147.3000114
3A36.8Very low46.6Very low93 Ų93129.1 Ų129.177%0.76978%0.778SS**  trans-58.1134.5165.600000110.5
4N33.4Very low49.3Very low165 Ų165127.1 Ų127.188%0.88277%0.769SS**  trans-111.881166.2-138.111000108.4S6N4-S6 PolarHBondContact O-N 3.42Å; N4-S6 VanDerWaalsContact O-N 3.12Å
5S39.5Very low51.6Low102 Ų102120.7 Ų120.771%0.71373%0.732SS**  trans-68.996.7165.447.90000108.2S7S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.4Å
6S38.4Very low53.6Low110 Ų110117.4 Ų117.477%0.76971%0.714SS**  trans-67.188.5167.8550000108.8N4 T8N4-S6 PolarHBondContact O-N 3.42Å; N4-S6 VanDerWaalsContact O-N 3.12Å; S6-T8 PolarHBondContact O-N 3.3Å
7S38.4Very low55.4Low93 Ų93117.2 Ų117.265%0.6571%0.708SS**  trans-61.7101.5165.852.80000108.2S5 N9S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.4Å; S7-N9 PolarHBondContact O-N 3.37Å
8T38.9Very low57.1Low133 Ų133112.8 Ų112.882%0.81668%0.677SS**  trans-6092162.232.80000108S6 S10S6-T8 PolarHBondContact O-N 3.3Å; T8-S10 VanDerWaalsContact C-N 3.27Å; T8-S10 PolarHBondContact O-N 3.42Å
9N40.6Very low58.7Low145 Ų145112.8 Ų112.878%0.77566%0.663SS**  trans-63.592.7166.5-86.5-17.5000107.4S7 S11S7-N9 PolarHBondContact O-N 3.37Å; N9-S11 VanDerWaalsContact C-N 3.28Å; N9-S11 PolarHBondContact O-N 3.33Å
10S52.4Low60.2Low111 Ų111111.6 Ų111.678%0.77666%0.659SS**  trans-62.893.1165.4420000107.9T8 V12T8-S10 VanDerWaalsContact C-N 3.27Å; T8-S10 PolarHBondContact O-N 3.42Å; S10-V12 PolarHBondContact O-N 3.17Å
11S64.9Low61.6Low107 Ų107108.3 Ų108.375%0.74864%0.64SS**  trans-64.1114.5179.646.40000109.5N9 L13N9-S11 VanDerWaalsContact C-N 3.28Å; N9-S11 PolarHBondContact O-N 3.33Å; S11-L13 PolarHBondContact O-N 3.2Å
12V70.8Confident64.4Low57 Ų5796.7 Ų96.735%0.34558%0.583SS.*PPolyproline II helixtrans-63.1119.2173.3178.80000108.2S10 C165 R166S10-V12 PolarHBondContact O-N 3.17Å; V12-C165 VanDerWaalsContact CG1-CA 3.5Å; V12-R166 HydrophobicContact CG1-CB 4.23Å
13L81.3Confident67.2Low138 Ų13896.7 Ų96.772%0.72357%0.571SS**PPolyproline II helixtrans-62.3151-178.6-77.6143.2000112.1S11 C165 R166S11-L13 PolarHBondContact O-N 3.2Å; L13-C165 WeakPolarHBondContact O-CA 3.49Å; L13-R166 PolarHBondContact O-N 2.89Å
14P85.2Confident70Confident101 Ų10196 Ų9666%0.65655%0.554SS**BIsolated β-bridgetrans-62.6146173.827-33.7000111.2R166P14-R166 WeakPolarHBondContact CA-O 3.46Å
15C83.9Confident72.9Confident32 Ų3288.3 Ų88.322%0.21651%0.512CS..PPolyproline II helixtrans-66130.5179-60.50000111.7C165 R166 V172C15-C165 VanDerWaalsContact CA-SG 3.54Å; C15-C165 HydrophobicContact CB-CB 3.92Å; C15-C165 WeakPolarHBondContact CB-SG 3.46Å; C15-C165 WeakPolarHBondContact SG-CB 3.48Å; C15-C165 CovalentContact SG-SG 2.03Å; C15-C165 PolarHBondContact SG-SG 2.88Å; C15-R166 PolarHBondContact N-O 2.9Å; C15-R166 VanDerWaalsContact SG-C 3.54Å; C15-R166 PolarHBondContact SG-O 3.24Å; C15-V172 WeakPolarHBondContact SG-CG2 3.43Å
16P83.6Confident75.6Confident67 Ų6786.2 Ų86.244%0.43549%0.493SS..PPolyproline II helixtrans-66.3152.2172.2-1933000111.9Y18P16-Y18 HydrophobicContact CB-CD2 4.47Å; P16-Y18 HydrophobicContact CB-CE1 4.11Å; P16-Y18 HydrophobicContact CB-CE2 3.79Å; P16-Y18 WeakPolarHBondContact CB-OH 3.42Å; P16-Y18 HydrophobicContact CG-CE2 4.01Å; P16-Y18 WeakPolarHBondContact CG-OH 3.39Å; P16-Y18 PolarHBondContact O-N 3.43Å
17D84.4Confident78.3Confident115 Ų11585.2 Ų85.262%0.61548%0.482SS*.  trans-81.7103177.1-171.16.6000111.7R19D17-R19 VanDerWaalsContact OD1-CB 3.28Å; D17-R19 WeakPolarHBondContact OD1-CB 3.49Å; D17-R19 WeakPolarHBondContact OD1-CD 3.49Å; D17-R19 WeakPolarHBondContact OD1-CG 3.4Å; D17-R19 PolarHBondContact OD1-N 3.18Å; D17-R19 IonicContact OD1-NE 3.88Å
18Y85.8Confident81.1Confident37 Ų3782.7 Ų82.715%0.14546%0.462CS..  trans-101.27.9175.4-61-56.2000113.8P16 T21 H22 L174 E177 R276P16-Y18 HydrophobicContact CB-CD2 4.47Å; P16-Y18 HydrophobicContact CB-CE1 4.11Å; P16-Y18 HydrophobicContact CB-CE2 3.79Å; P16-Y18 WeakPolarHBondContact CB-OH 3.42Å; P16-Y18 HydrophobicContact CG-CE2 4.01Å; P16-Y18 WeakPolarHBondContact CG-OH 3.39Å; P16-Y18 PolarHBondContact O-N 3.43Å; Y18-T21 PolarHBondContact O-N 3.2Å; Y18-T21 VanDerWaalsContact O-N 3.16Å; Y18-H22 VanDerWaalsContact CB-CD2 3.45Å; Y18-H22 WeakPolarHBondContact CB-CD2 3.34Å; Y18-H22 WeakPolarHBondContact CB-NE2 3.45Å; Y18-H22 WeakPolarHBondContact O-CB 3.47Å; Y18-H22 PolarHBondContact O-CD2 3.03Å; Y18-H22 VanDerWaalsContact O-CD2 3.25Å; Y18-H22 PolarHBondContact O-N 3.35Å; Y18-L174 HydrophobicContact CD2-CD1 4.44Å; Y18-L174 HydrophobicContact CE2-CD1 4Å; Y18-E177 HydrophobicContact CD2-CG 3.84Å; Y18-E177 HydrophobicContact CE2-CB 4.05Å; Y18-E177 HydrophobicContact CE2-CG 3.71Å; Y18-R276 VanDerWaalsContact OH-CZ 3.31Å; Y18-R276 PolarHBondContact OH-NH1 3.19Å; Y18-R276 PolarHBondContact OH-NH2 3.21Å
19R86.9Confident83.8Confident113 Ų11376.3 Ų76.343%0.42642%0.423SS..Hα-helixtrans-55.1-44.4-172.8-68.2168.2-172.1-138.50.9114.2D17 H22 R23 Y167D17-R19 VanDerWaalsContact OD1-CB 3.28Å; D17-R19 WeakPolarHBondContact OD1-CB 3.49Å; D17-R19 WeakPolarHBondContact OD1-CD 3.49Å; D17-R19 WeakPolarHBondContact OD1-CG 3.4Å; D17-R19 PolarHBondContact OD1-N 3.18Å; D17-R19 IonicContact OD1-NE 3.88Å; R19-H22 PolarHBondContact O-N 3.14Å; R19-R23 WeakPolarHBondContact O-CG 3.48Å; R19-R23 PolarHBondContact O-N 3.04Å; R19-Y167 PolarHBondContact NH2-OH 3.42Å
20P88.4Confident86.5Confident89 Ų8971.9 Ų71.958%0.57840%0.404SS*.Hα-helixtrans-62.8-45.3178.5-21.634.1000111.9R23 L24P20-R23 PolarHBondContact O-N 2.85Å; P20-L24 PolarHBondContact O-N 3.35Å; P20-L24 VanDerWaalsContact O-N 3.17Å
21T90.3Very high88.6Confident43 Ų4372.1 Ų72.126%0.26440%0.396SS..Hα-helixtrans-64.4-42.9179-55.10000111.5Y18 R23 L24 H25 M280Y18-T21 PolarHBondContact O-N 3.2Å; Y18-T21 VanDerWaalsContact O-N 3.16Å; T21-R23 PolarHBondContact O-N 3.14Å; T21-L24 PolarHBondContact O-N 3.32Å; T21-H25 VanDerWaalsContact CG2-CE1 3.4Å; T21-H25 WeakPolarHBondContact CG2-CE1 3.48Å; T21-H25 WeakPolarHBondContact CG2-ND1 3.41Å; T21-H25 PolarHBondContact O-N 2.91Å; T21-H25 PolarHBondContact O-ND1 2.95Å; T21-M280 HydrophobicContact CG2-CB 3.99Å; T21-M280 HydrophobicContact CG2-CG 4.44Å
22H93.4Very high90Very high3 Ų367.3 Ų67.31%0.01436%0.362CS..Hα-helixtrans-60.8-43.4176.5-78.6-150.7000111.9Y18 R19 L24 H25 L26 Y81 Y82 H85 E177Y18-H22 VanDerWaalsContact CB-CD2 3.45Å; Y18-H22 WeakPolarHBondContact CB-CD2 3.34Å; Y18-H22 WeakPolarHBondContact CB-NE2 3.45Å; Y18-H22 WeakPolarHBondContact O-CB 3.47Å; Y18-H22 PolarHBondContact O-CD2 3.03Å; Y18-H22 VanDerWaalsContact O-CD2 3.25Å; Y18-H22 PolarHBondContact O-N 3.35Å; R19-H22 PolarHBondContact O-N 3.14Å; H22-L24 PolarHBondContact O-N 3.09Å; H22-H25 PolarHBondContact O-N 3.31Å; H22-L26 VanDerWaalsContact O-CB 3.28Å; H22-L26 WeakPolarHBondContact O-CB 3.29Å; H22-L26 PolarHBondContact O-N 3.48Å; H22-Y81 AromaticContact CE1-CE1 3.74Å; H22-Y81 AromaticContact CE1-CZ 3.68Å; H22-Y81 AromaticContact NE2-CE1 3.71Å; H22-Y81 AromaticContact NE2-CZ 3.84Å; H22-Y81 PolarHBondContact NE2-OH 2.9Å; H22-Y82 HydrophobicContact CB-CD1 4.23Å; H22-Y82 AromaticContact CD2-CD1 3.75Å; H22-Y82 AromaticContact CG-CD1 3.79Å; H22-Y82 PolarHBondContact ND1-O 2.91Å; H22-H85 AromaticContact CE1-ND1 3.76Å; H22-H85 AromaticContact CG-ND1 3.63Å; H22-H85 AromaticContact ND1-CE1 3.68Å; H22-H85 AromaticContact ND1-CG 3.8Å; H22-H85 AromaticContact ND1-ND1 2.92Å; H22-H85 PolarHBondContact ND1-ND1 3Å; H22-E177 IonicContact CD2-OE1 2.98Å; H22-E177 IonicContact NE2-OE1 3.33Å; H22-E177 PolarHBondContact NE2-OE1 3.11Å
23R94.4Very high91.3Very high177 Ų17766.4 Ų66.467%0.66836%0.355SS*.Hα-helixtrans-59.9-45.6176.5-73.7177.3-174.2177.51.5111.6R19 P20 T21 L26 V27R19-R23 WeakPolarHBondContact O-CG 3.48Å; R19-R23 PolarHBondContact O-N 3.04Å; P20-R23 PolarHBondContact O-N 2.85Å; T21-R23 PolarHBondContact O-N 3.14Å; R23-L26 PolarHBondContact O-N 3.35Å; R23-V27 WeakPolarHBondContact O-CG2 3.32Å; R23-V27 PolarHBondContact O-N 3.16Å; R23-V27 VanDerWaalsContact O-N 3.13Å
24L94.6Very high92Very high79 Ų7963.2 Ų63.241%0.41435%0.348SS..Hα-helixtrans-60.9-47.1176.5-179.965.4000111.5P20 T21 H22 L26 V27 V28 L284P20-L24 PolarHBondContact O-N 3.35Å; P20-L24 VanDerWaalsContact O-N 3.17Å; T21-L24 PolarHBondContact O-N 3.32Å; H22-L24 PolarHBondContact O-N 3.09Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.44Å; L24-V27 PolarHBondContact O-N 3.42Å; L24-V28 HydrophobicContact CD1-CG2 4.12Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 2.84Å; L24-L284 HydrophobicContact CD2-CD1 3.74Å; L24-L284 HydrophobicContact CG-CD1 3.65Å
25H94.5Very high92.5Very high2 Ų260 Ų601%0.00933%0.33CS..Hα-helixtrans-62.7-41.3179-77.162000112.5T21 H22 V27 Y29 Y82 M280 V283 L284T21-H25 VanDerWaalsContact CG2-CE1 3.4Å; T21-H25 WeakPolarHBondContact CG2-CE1 3.48Å; T21-H25 WeakPolarHBondContact CG2-ND1 3.41Å; T21-H25 PolarHBondContact O-N 2.91Å; T21-H25 PolarHBondContact O-ND1 2.95Å; H22-H25 PolarHBondContact O-N 3.31Å; H25-V27 PolarHBondContact O-N 2.91Å; H25-Y29 AromaticContact CD2-CE2 3.91Å; H25-Y29 WeakPolarHBondContact O-CB 3.38Å; H25-Y29 PolarHBondContact O-N 3.32Å; H25-Y82 HydrophobicContact CB-CD1 4.03Å; H25-Y82 HydrophobicContact CB-CD2 3.6Å; H25-Y82 HydrophobicContact CB-CE1 3.97Å; H25-Y82 HydrophobicContact CB-CE2 3.55Å; H25-Y82 HydrophobicContact CB-CG 3.87Å; H25-Y82 AromaticContact CD2-CE1 3.99Å; H25-Y82 AromaticContact CD2-CE2 3.87Å; H25-Y82 AromaticContact CD2-CZ 3.43Å; H25-Y82 VanDerWaalsContact CD2-CZ 3.43Å; H25-Y82 PolarHBondContact CD2-OH 3.26Å; H25-Y82 AromaticContact CG-CZ 3.78Å; H25-M280 PolarHBondContact CE1-O 2.85Å; H25-M280 PolarHBondContact NE2-O 3Å; H25-V283 WeakPolarHBondContact NE2-CG1 3.49Å; H25-L284 HydrophobicContact CB-CD2 4.12Å; H25-L284 WeakPolarHBondContact CD2-CD2 3.49Å
26L95.8Very high93Very high58 Ų5858.5 Ų58.530%0.30432%0.32SS..Hα-helixtrans-59.5-48.2178.2-171.273.4000110.8H22 R23 L24 S30 L79 A83H22-L26 VanDerWaalsContact O-CB 3.28Å; H22-L26 WeakPolarHBondContact O-CB 3.29Å; H22-L26 PolarHBondContact O-N 3.48Å; R23-L26 PolarHBondContact O-N 3.35Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.44Å; L26-S30 WeakPolarHBondContact O-CB 3.48Å; L26-S30 PolarHBondContact O-N 2.96Å; L26-S30 PolarHBondContact O-OG 2.84Å; L26-L79 HydrophobicContact CD1-CB 4.28Å; L26-L79 HydrophobicContact CD1-CD2 3.94Å; L26-L79 WeakPolarHBondContact CD1-O 3.27Å; L26-A83 HydrophobicContact CD1-CB 4.16Å
27V96.3Very high93.5Very high90 Ų9058 Ų5855%0.54531%0.313SS..Hα-helixtrans-63.7-53.4178.9173.60000110.8R23 L24 H25 S30 L31R23-V27 WeakPolarHBondContact O-CG2 3.32Å; R23-V27 PolarHBondContact O-N 3.16Å; R23-V27 VanDerWaalsContact O-N 3.13Å; L24-V27 PolarHBondContact O-N 3.42Å; H25-V27 PolarHBondContact O-N 2.91Å; V27-S30 PolarHBondContact O-N 3.32Å; V27-L31 HydrophobicContact CG1-CD1 4.36Å; V27-L31 WeakPolarHBondContact O-CG 3.46Å; V27-L31 PolarHBondContact O-N 3.45Å; V27-L31 VanDerWaalsContact O-N 3.12Å
28V95.9Very high94Very high39 Ų3955.9 Ų55.924%0.23631%0.306CS..Hα-helixtrans-65.1-48-174.2175.50000111.3L24 S30 L31 V32 L284L24-V28 HydrophobicContact CD1-CG2 4.12Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 2.84Å; V28-S30 VanDerWaalsContact C-N 3.3Å; V28-S30 PolarHBondContact O-N 3.47Å; V28-L31 WeakPolarHBondContact O-CB 3.46Å; V28-L31 PolarHBondContact O-N 3.1Å; V28-V32 HydrophobicContact CG1-CG2 4.31Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.29Å; V28-V32 PolarHBondContact O-N 3.13Å; V28-L284 HydrophobicContact CB-CD1 4.4Å; V28-L284 HydrophobicContact CB-CD2 4.2Å; V28-L284 HydrophobicContact CG1-CB 4.16Å; V28-L284 HydrophobicContact CG1-CD2 4.24Å; V28-L284 HydrophobicContact CG2-CD1 4.29Å
29Y96.2Very high94.4Very high0 Ų057.5 Ų57.50%032%0.317CS..Hα-helixtrans-70.9-23.9179.5-71.9-28000113.7H25 V32 L33 F71 L75 Y82 V283 L284H25-Y29 AromaticContact CD2-CE2 3.91Å; H25-Y29 WeakPolarHBondContact O-CB 3.38Å; H25-Y29 PolarHBondContact O-N 3.32Å; Y29-V32 HydrophobicContact CD1-CG2 4.46Å; Y29-V32 PolarHBondContact O-N 3.28Å; Y29-L33 VanDerWaalsContact O-CB 3.29Å; Y29-L33 WeakPolarHBondContact O-CB 3.28Å; Y29-L33 PolarHBondContact O-N 3.43Å; Y29-F71 HydrophobicContact CE1-CZ 4.32Å; Y29-L75 HydrophobicContact CD1-CD2 4.13Å; Y29-L75 HydrophobicContact CD2-CD2 4.21Å; Y29-L75 HydrophobicContact CG-CD2 3.94Å; Y29-Y82 HydrophobicContact CD2-CD2 4.45Å; Y29-Y82 AromaticContact CD2-CE2 3.77Å; Y29-Y82 HydrophobicContact CD2-CE2 3.77Å; Y29-Y82 AromaticContact CE2-CE2 3.94Å; Y29-Y82 HydrophobicContact CE2-CE2 3.94Å; Y29-V283 PolarHBondContact OH-O 3.11Å; Y29-V283 VanDerWaalsContact OH-O 3.12Å; Y29-L284 HydrophobicContact CD1-CD2 4.07Å; Y29-L284 HydrophobicContact CD2-CD2 4.21Å; Y29-L284 HydrophobicContact CE1-CD2 3.7Å; Y29-L284 HydrophobicContact CE2-CD2 3.89Å; Y29-L284 HydrophobicContact CG-CD2 4.31Å
30S97.1Very high94.7Very high51 Ų5152.1 Ų52.136%0.35730%0.296SS..Hα-helixtrans-66.1-42.7169.9-62.90000111.1L26 V27 V28 L33 A34L26-S30 WeakPolarHBondContact O-CB 3.48Å; L26-S30 PolarHBondContact O-N 2.96Å; L26-S30 PolarHBondContact O-OG 2.84Å; V27-S30 PolarHBondContact O-N 3.32Å; V28-S30 VanDerWaalsContact C-N 3.3Å; V28-S30 PolarHBondContact O-N 3.47Å; S30-L33 PolarHBondContact O-N 3.09Å; S30-A34 VanDerWaalsContact O-CB 3.27Å; S30-A34 WeakPolarHBondContact O-CB 3.44Å; S30-A34 PolarHBondContact O-N 3.33Å
31L96.4Very high95Very high116 Ų11650 Ų5061%0.60729%0.287SS*.Hα-helixtrans-64.1-43.3174.1-65.8172.6000111.5V27 V28 L33 A34 A35V27-L31 HydrophobicContact CG1-CD1 4.36Å; V27-L31 WeakPolarHBondContact O-CG 3.46Å; V27-L31 PolarHBondContact O-N 3.45Å; V27-L31 VanDerWaalsContact O-N 3.12Å; V28-L31 WeakPolarHBondContact O-CB 3.46Å; V28-L31 PolarHBondContact O-N 3.1Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 2.96Å; L31-A34 PolarHBondContact O-N 2.93Å; L31-A35 WeakPolarHBondContact O-CB 3.29Å; L31-A35 PolarHBondContact O-N 3.39Å
32V95.9Very high95.1Very high6 Ų650.6 Ų50.64%0.03629%0.288CS..Hα-helixtrans-61.1-43.6176.2172.70000111.1V28 Y29 G36 F71 L75 A288 C290 V291V28-V32 HydrophobicContact CG1-CG2 4.31Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.29Å; V28-V32 PolarHBondContact O-N 3.13Å; Y29-V32 HydrophobicContact CD1-CG2 4.46Å; Y29-V32 PolarHBondContact O-N 3.28Å; V32-G36 VanDerWaalsContact O-CA 3.24Å; V32-G36 WeakPolarHBondContact O-CA 3.36Å; V32-G36 PolarHBondContact O-N 3.18Å; V32-F71 HydrophobicContact CG1-CE1 4.48Å; V32-L75 HydrophobicContact CB-CD1 4.32Å; V32-L75 HydrophobicContact CG1-CD1 3.83Å; V32-A288 HydrophobicContact CG2-CB 4.36Å; V32-C290 WeakPolarHBondContact CG1-SG 3.38Å; V32-V291 HydrophobicContact CB-CG2 4.24Å; V32-V291 HydrophobicContact CG1-CG2 4.06Å; V32-V291 HydrophobicContact CG2-CG2 4.17Å
33L97.2Very high94.9Very high39 Ų3950.5 Ų50.520%0.20429%0.287CS..Hα-helixtrans-64.1-47176.1178.660.5000111.4Y29 S30 L31 A35 L37 S72 L75 P76 L79Y29-L33 VanDerWaalsContact O-CB 3.29Å; Y29-L33 WeakPolarHBondContact O-CB 3.28Å; Y29-L33 PolarHBondContact O-N 3.43Å; S30-L33 PolarHBondContact O-N 3.09Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 2.96Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 2.94Å; L33-L37 HydrophobicContact CD1-CB 4.24Å; L33-L37 HydrophobicContact CD1-CD2 4.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 3.34Å; L33-S72 VanDerWaalsContact CD1-O 3.29Å; L33-S72 WeakPolarHBondContact CD1-O 3.49Å; L33-L75 HydrophobicContact CB-CD1 3.97Å; L33-L75 HydrophobicContact CD1-CB 4.44Å; L33-P76 HydrophobicContact CD2-CG 4.16Å; L33-L79 HydrophobicContact CD2-CD1 3.75Å
34A96.3Very high94.7Very high71 Ų7143.8 Ų43.859%0.58726%0.264SS*.Hα-helixtrans-64.1-34.2-177.500000113.1S30 L31 P38S30-A34 VanDerWaalsContact O-CB 3.27Å; S30-A34 WeakPolarHBondContact O-CB 3.44Å; S30-A34 PolarHBondContact O-N 3.33Å; L31-A34 PolarHBondContact O-N 2.93Å; A34-P38 VanDerWaalsContact O-CD 3.23Å; A34-P38 WeakPolarHBondContact O-CD 3.3Å; A34-P38 WeakPolarHBondContact O-CG 3.38Å
35A94.6Very high94.5Very high33 Ų3345 Ų4527%0.27326%0.264SS..Hα-helixtrans-94.4-49.1178.600000112.7L31 L33 L37 P38 L39 V291L31-A35 WeakPolarHBondContact O-CB 3.29Å; L31-A35 PolarHBondContact O-N 3.39Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 2.94Å; A35-L37 PolarHBondContact O-N 2.89Å; A35-P38 VanDerWaalsContact O-CD 3.31Å; A35-P38 WeakPolarHBondContact O-CD 3.2Å; A35-P38 WeakPolarHBondContact O-CG 3.21Å; A35-L39 HydrophobicContact CB-CD1 4.38Å; A35-L39 VanDerWaalsContact O-CB 3.28Å; A35-L39 WeakPolarHBondContact O-CB 3.26Å; A35-L39 WeakPolarHBondContact O-CD1 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.38Å; A35-L39 PolarHBondContact O-N 3.17Å; A35-L39 VanDerWaalsContact O-N 3.15Å; A35-V291 HydrophobicContact CB-CG1 3.85Å; A35-V291 HydrophobicContact CB-CG2 4.28Å
36G94.4Very high94.1Very high0 Ų045 Ų450%026%0.263CS..Hα-helixtrans-64.6-42.1-173.100000113.1V32 N40V32-G36 VanDerWaalsContact O-CA 3.24Å; V32-G36 WeakPolarHBondContact O-CA 3.36Å; V32-G36 PolarHBondContact O-N 3.18Å; G36-N40 WeakPolarHBondContact O-CB 3.31Å; G36-N40 PolarHBondContact O-N 3.39Å; G36-N40 PolarHBondContact O-ND2 3.42Å
37L95.4Very high93.6Very high56 Ų5642.2 Ų42.229%0.29325%0.249SC..Hα-helixtrans-62-56.2179.9-171.973000112.5L33 A35 L39 A41 L69 L73L33-L37 HydrophobicContact CD1-CB 4.24Å; L33-L37 HydrophobicContact CD1-CD2 4.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 3.34Å; A35-L37 PolarHBondContact O-N 2.89Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.35Å; L37-A41 PolarHBondContact O-N 3.32Å; L37-L69 HydrophobicContact CD1-CD2 3.85Å; L37-L73 HydrophobicContact CD1-CD2 3.82Å; L37-L73 HydrophobicContact CD1-CG 4.04Å
38P94.8Very high93.1Very high72 Ų7242.5 Ų42.547%0.46825%0.247SC..Hα-helixtrans-66.2-38.6-179.924.8-33.7000112.8A34 A35 A41 L42A34-P38 VanDerWaalsContact O-CD 3.23Å; A34-P38 WeakPolarHBondContact O-CD 3.3Å; A34-P38 WeakPolarHBondContact O-CG 3.38Å; A35-P38 VanDerWaalsContact O-CD 3.31Å; A35-P38 WeakPolarHBondContact O-CD 3.2Å; A35-P38 WeakPolarHBondContact O-CG 3.21Å; P38-A41 PolarHBondContact O-N 2.86Å; P38-L42 VanDerWaalsContact O-CB 3.25Å; P38-L42 WeakPolarHBondContact O-CB 3.49Å; P38-L42 PolarHBondContact O-N 3.12Å
39L93Very high92.4Very high70 Ų7049.1 Ų49.137%0.36627%0.268SS..Hα-helixtrans-64.6-46.2-179.3-71.5171.5000112A35 L37 A43 P294A35-L39 HydrophobicContact CB-CD1 4.38Å; A35-L39 VanDerWaalsContact O-CB 3.28Å; A35-L39 WeakPolarHBondContact O-CB 3.26Å; A35-L39 WeakPolarHBondContact O-CD1 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.38Å; A35-L39 PolarHBondContact O-N 3.17Å; A35-L39 VanDerWaalsContact O-N 3.15Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.34Å; L39-A43 PolarHBondContact O-N 2.93Å; L39-P294 HydrophobicContact CB-CB 4.3Å; L39-P294 HydrophobicContact CB-CG 3.65Å; L39-P294 HydrophobicContact CD1-CB 4.43Å; L39-P294 HydrophobicContact CD1-CG 4.08Å; L39-P294 HydrophobicContact CG-CG 4.39Å
40N94.6Very high91.1Very high0 Ų051.6 Ų51.60%029%0.288CS..Hα-helixtrans-74.2-32.7179.4-71.1-67.4000112.4G36 A43 L44 D68 L69 C290 Y297G36-N40 WeakPolarHBondContact O-CB 3.31Å; G36-N40 PolarHBondContact O-N 3.39Å; G36-N40 PolarHBondContact O-ND2 3.42Å; N40-A43 PolarHBondContact O-N 3.07Å; N40-L44 WeakPolarHBondContact O-CB 3.4Å; N40-L44 PolarHBondContact O-N 3.45Å; N40-D68 HydrophobicContact CB-CB 4.22Å; N40-D68 PolarHBondContact OD1-OD2 3.47Å; N40-L69 HydrophobicContact CB-CD2 3.95Å; N40-L69 HydrophobicContact CB-CG 3.87Å; N40-C290 PolarHBondContact ND2-O 3.5Å; N40-Y297 WeakPolarHBondContact OD1-CE2 3.36Å
41A94.4Very high89.9Confident45 Ų4551.3 Ų51.337%0.37228%0.282SS..Hα-helixtrans-63.4-46.2173.400000111L37 P38 L44 W45 L69L37-A41 WeakPolarHBondContact O-CB 3.35Å; L37-A41 PolarHBondContact O-N 3.32Å; P38-A41 PolarHBondContact O-N 2.86Å; A41-L44 PolarHBondContact O-N 2.93Å; A41-W45 WeakPolarHBondContact O-CB 3.37Å; A41-W45 PolarHBondContact O-N 2.87Å; A41-L69 HydrophobicContact CB-CD2 4.06Å
42L90.9Very high88.8Confident56 Ų5654.5 Ų54.529%0.29329%0.286SS..Hα-helixtrans-62.3-45.4175.2-179.660.7000111.1P38 L44 W45 V46 L308 L311P38-L42 VanDerWaalsContact O-CB 3.25Å; P38-L42 WeakPolarHBondContact O-CB 3.49Å; P38-L42 PolarHBondContact O-N 3.12Å; L42-L44 PolarHBondContact O-N 3.4Å; L42-W45 HydrophobicContact CD1-CE3 4.08Å; L42-W45 HydrophobicContact CD1-CZ3 4.5Å; L42-W45 PolarHBondContact O-N 3.5Å; L42-V46 HydrophobicContact CD1-CG2 4.24Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.16Å; L42-V46 PolarHBondContact O-N 3.42Å; L42-L308 HydrophobicContact CD2-CD2 3.68Å; L42-L311 HydrophobicContact CD1-CD1 4.32Å
43A89.7Confident87.8Confident0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-57.1-51176.800000112L39 N40 W45 V46 F47 Y297 F304L39-A43 WeakPolarHBondContact O-CB 3.34Å; L39-A43 PolarHBondContact O-N 2.93Å; N40-A43 PolarHBondContact O-N 3.07Å; A43-W45 VanDerWaalsContact C-N 3.34Å; A43-W45 PolarHBondContact O-N 3.49Å; A43-V46 PolarHBondContact O-N 2.95Å; A43-F47 HydrophobicContact CB-CD2 4.42Å; A43-F47 HydrophobicContact CB-CE2 4.08Å; A43-F47 WeakPolarHBondContact O-CD2 3.47Å; A43-F47 WeakPolarHBondContact O-CG 3.13Å; A43-F47 PolarHBondContact O-N 3.42Å; A43-Y297 HydrophobicContact CB-CD2 3.43Å; A43-Y297 VanDerWaalsContact CB-CD2 3.43Å; A43-Y297 HydrophobicContact CB-CE2 3.7Å; A43-Y297 HydrophobicContact CB-CG 4.36Å; A43-F304 HydrophobicContact CB-CE2 4.13Å; A43-F304 HydrophobicContact CB-CZ 4.48Å
44L91.6Very high86.9Confident36 Ų3661.1 Ų61.119%0.18832%0.318CS..Hα-helixtrans-61-43.6178.8-172.561.7000111.3N40 A41 L42 V46 F47 L48 C62 A65 L69N40-L44 WeakPolarHBondContact O-CB 3.4Å; N40-L44 PolarHBondContact O-N 3.45Å; A41-L44 PolarHBondContact O-N 2.93Å; L42-L44 PolarHBondContact O-N 3.4Å; L44-V46 PolarHBondContact O-N 2.93Å; L44-F47 PolarHBondContact O-N 2.95Å; L44-L48 HydrophobicContact CD1-CD1 4.06Å; L44-L48 HydrophobicContact CD1-CG 4.14Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.33Å; L44-L48 WeakPolarHBondContact O-CB 3.26Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.28Å; L44-L48 PolarHBondContact O-N 3.38Å; L44-C62 HydrophobicContact CD1-CB 4.11Å; L44-A65 HydrophobicContact CB-CB 4.27Å; L44-L69 HydrophobicContact CB-CD1 4.2Å; L44-L69 HydrophobicContact CD2-CD1 3.61Å
45W90.4Very high86.4Confident106 Ų10660.2 Ų60.240%0.40231%0.308SS..Hα-helixtrans-59.3-45.8175.717886.1000112.5A41 L42 A43 R49 T307 L311A41-W45 WeakPolarHBondContact O-CB 3.37Å; A41-W45 PolarHBondContact O-N 2.87Å; L42-W45 HydrophobicContact CD1-CE3 4.08Å; L42-W45 HydrophobicContact CD1-CZ3 4.5Å; L42-W45 PolarHBondContact O-N 3.5Å; A43-W45 VanDerWaalsContact C-N 3.34Å; A43-W45 PolarHBondContact O-N 3.49Å; W45-R49 VanDerWaalsContact O-CB 3.23Å; W45-R49 WeakPolarHBondContact O-CB 3.19Å; W45-R49 PolarHBondContact O-N 3.13Å; W45-T307 HydrophobicContact CZ3-CG2 4.26Å; W45-L311 HydrophobicContact CZ3-CD1 4.49Å
46V85.5Confident86.1Confident0 Ų059.1 Ų59.10%030%0.298CS..Iπ-helixtrans-63.1-43.8176.8175.30000110.8L42 A43 L44 A50 L51 F304 T307L42-V46 HydrophobicContact CD1-CG2 4.24Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.16Å; L42-V46 PolarHBondContact O-N 3.42Å; A43-V46 PolarHBondContact O-N 2.95Å; L44-V46 PolarHBondContact O-N 2.93Å; V46-A50 HydrophobicContact CG1-CB 4.01Å; V46-A50 WeakPolarHBondContact O-CA 3.48Å; V46-A50 VanDerWaalsContact O-CB 3.27Å; V46-A50 WeakPolarHBondContact O-CB 3.18Å; V46-A50 PolarHBondContact O-N 2.84Å; V46-L51 HydrophobicContact CG1-CD1 4.46Å; V46-L51 PolarHBondContact O-N 3.47Å; V46-L51 VanDerWaalsContact O-N 3.07Å; V46-F304 HydrophobicContact CB-CD2 3.89Å; V46-F304 HydrophobicContact CB-CE2 4.3Å; V46-F304 HydrophobicContact CG1-CB 4.41Å; V46-F304 HydrophobicContact CG1-CD2 3.74Å; V46-F304 HydrophobicContact CG2-CD2 4.11Å; V46-F304 HydrophobicContact CG2-CE2 4.22Å; V46-T307 HydrophobicContact CG1-CG2 4.39Å; V46-T307 HydrophobicContact CG2-CG2 3.95Å
47F84.7Confident85.8Confident0 Ų059.2 Ų59.20%030%0.298CS..Iπ-helixtrans-65.7-41.2-178.9-69-53000113A43 L44 L51 R52 V53 M61 C62 Y297 A301A43-F47 HydrophobicContact CB-CD2 4.42Å; A43-F47 HydrophobicContact CB-CE2 4.08Å; A43-F47 WeakPolarHBondContact O-CD2 3.47Å; A43-F47 WeakPolarHBondContact O-CG 3.13Å; A43-F47 PolarHBondContact O-N 3.42Å; L44-F47 PolarHBondContact O-N 2.95Å; F47-L51 HydrophobicContact CD1-CD1 3.55Å; F47-L51 HydrophobicContact CE1-CD1 3.86Å; F47-L51 CarbonylContact O-C 3.57Å; F47-R52 PolarHBondContact O-N 2.88Å; F47-R52 VanDerWaalsContact O-N 3.07Å; F47-V53 PolarHBondContact O-N 3.21Å; F47-M61 HydrophobicContact CD2-CB 4.3Å; F47-M61 HydrophobicContact CE1-CB 4.28Å; F47-M61 HydrophobicContact CE1-SD 4.15Å; F47-M61 HydrophobicContact CE2-CB 3.71Å; F47-M61 HydrophobicContact CZ-CB 3.71Å; F47-M61 HydrophobicContact CZ-CG 4.3Å; F47-M61 HydrophobicContact CZ-SD 3.82Å; F47-C62 WeakPolarHBondContact CB-SG 3.49Å; F47-Y297 AromaticContact CE2-CD1 3.82Å; F47-Y297 HydrophobicContact CE2-CD1 3.82Å; F47-Y297 HydrophobicContact CE2-CD2 4.24Å; F47-Y297 HydrophobicContact CE2-CE1 4.25Å; F47-Y297 AromaticContact CE2-CG 3.85Å; F47-Y297 HydrophobicContact CE2-CG 3.85Å; F47-Y297 AromaticContact CZ-CD1 3.81Å; F47-Y297 HydrophobicContact CZ-CD1 3.81Å; F47-Y297 AromaticContact CZ-CG 3.83Å; F47-Y297 HydrophobicContact CZ-CG 3.83Å; F47-A301 HydrophobicContact CE1-CB 4.18Å
48L86Confident85.4Confident97 Ų9757.1 Ų57.151%0.50829%0.288SS..Iπ-helixtrans-72.5-45.6179.3-66.8177000111.7L44 R52 V53L44-L48 HydrophobicContact CD1-CD1 4.06Å; L44-L48 HydrophobicContact CD1-CG 4.14Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.33Å; L44-L48 WeakPolarHBondContact O-CB 3.26Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.28Å; L44-L48 PolarHBondContact O-N 3.38Å; L48-R52 WeakPolarHBondContact O-CA 3.39Å; L48-V53 HydrophobicContact CD2-CG2 3.84Å
49R81.7Confident85.4Confident178 Ų17854 Ų5467%0.67227%0.268SS*.Iπ-helixtrans-92.2-46.5-170.5-162.3176.7-176.4175.62.7113.6W45W45-R49 VanDerWaalsContact O-CB 3.23Å; W45-R49 WeakPolarHBondContact O-CB 3.19Å; W45-R49 PolarHBondContact O-N 3.13Å
50A69.5Low85.4Confident51 Ų5151 Ų5142%0.42125%0.252SS..Iπ-helixtrans-87.4-37.5-174.900000112.4V46V46-A50 HydrophobicContact CG1-CB 4.01Å; V46-A50 WeakPolarHBondContact O-CA 3.48Å; V46-A50 VanDerWaalsContact O-CB 3.27Å; V46-A50 WeakPolarHBondContact O-CB 3.18Å; V46-A50 PolarHBondContact O-N 2.84Å
51L70.9Confident85.3Confident46 Ų4651.1 Ų51.124%0.24125%0.252CS..SBendtrans-101.6-9.2-176.5-64.5172.3000113.9V46 F47 V53 H54 A301V46-L51 HydrophobicContact CG1-CD1 4.46Å; V46-L51 PolarHBondContact O-N 3.47Å; V46-L51 VanDerWaalsContact O-N 3.07Å; F47-L51 HydrophobicContact CD1-CD1 3.55Å; F47-L51 HydrophobicContact CE1-CD1 3.86Å; F47-L51 CarbonylContact O-C 3.57Å; L51-V53 PolarHBondContact O-N 3.17Å; L51-H54 PolarHBondContact O-CD2 3.39Å; L51-H54 PolarHBondContact O-N 3.37Å; L51-A301 HydrophobicContact CD1-CB 4.05Å
52R73.6Confident85.2Confident183 Ų18349.5 Ų49.569%0.69124%0.238SC*.THydrogen-bonded Turntrans4627.6176.9-62.7-177.1-170.8-178.61.9114.1F47 L48 H54F47-R52 PolarHBondContact O-N 2.88Å; F47-R52 VanDerWaalsContact O-N 3.07Å; L48-R52 WeakPolarHBondContact O-CA 3.39Å; R52-H54 VanDerWaalsContact CB-CD2 3.47Å; R52-H54 WeakPolarHBondContact CB-CD2 3.23Å; R52-H54 VanDerWaalsContact CB-NE2 3.32Å; R52-H54 WeakPolarHBondContact CB-NE2 3.14Å; R52-H54 PolarHBondContact O-N 2.92Å; R52-H54 VanDerWaalsContact O-N 3.08Å
53V75.1Confident85.5Confident43 Ų4348.4 Ų48.426%0.26123%0.232SC..THydrogen-bonded Turntrans48.637.5177.3-154.40000114.1F47 L48 L51 S55 V59F47-V53 PolarHBondContact O-N 3.21Å; L48-V53 HydrophobicContact CD2-CG2 3.84Å; L51-V53 PolarHBondContact O-N 3.17Å; V53-S55 PolarHBondContact O-N 3.13Å; V53-V59 HydrophobicContact CG1-CB 4.18Å; V53-V59 HydrophobicContact CG1-CG2 3.58Å
54H77.5Confident85.8Confident140 Ų14048.4 Ų48.465%0.64823%0.232SC*.  trans-76.3-20.8-176.3-74-65.6000114.3L51 R52 P135L51-H54 PolarHBondContact O-CD2 3.39Å; L51-H54 PolarHBondContact O-N 3.37Å; R52-H54 VanDerWaalsContact CB-CD2 3.47Å; R52-H54 WeakPolarHBondContact CB-CD2 3.23Å; R52-H54 VanDerWaalsContact CB-NE2 3.32Å; R52-H54 WeakPolarHBondContact CB-NE2 3.14Å; R52-H54 PolarHBondContact O-N 2.92Å; R52-H54 VanDerWaalsContact O-N 3.08Å; H54-P135 VanDerWaalsContact O-CG 3.29Å; H54-P135 WeakPolarHBondContact O-CG 3.16Å
55S85.5Confident86Confident52 Ų5246.7 Ų46.736%0.36422%0.223SC..SBendtrans-103.9150.2-176.192.20000112.6V53 V57 S58 V59V53-S55 PolarHBondContact O-N 3.13Å; S55-V57 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 3.39Å; S55-S58 WeakPolarHBondContact O-CB 3.31Å; S55-S58 PolarHBondContact O-N 2.91Å; S55-S58 VanDerWaalsContact O-N 3.14Å; S55-S58 WeakPolarHBondContact OG-CB 3.41Å; S55-S58 PolarHBondContact OG-N 3.14Å; S55-S58 PolarHBondContact OG-OG 2.89Å; S55-V59 PolarHBondContact O-N 2.91Å; S55-V59 VanDerWaalsContact O-N 3.08Å
56V89.8Confident86.3Confident10 Ų1042.9 Ų42.96%0.06122%0.215CC..Hα-helixtrans-52.7-46.6175.6168.50000112V59 Y60 D118 R133 P135 A138V56-V59 WeakPolarHBondContact O-CB 3.21Å; V56-V59 PolarHBondContact O-N 2.74Å; V56-Y60 HydrophobicContact CG1-CD2 4.14Å; V56-Y60 HydrophobicContact CG1-CE2 3.41Å; V56-Y60 VanDerWaalsContact CG1-CE2 3.41Å; V56-Y60 WeakPolarHBondContact O-CD2 3.34Å; V56-Y60 PolarHBondContact O-N 2.95Å; V56-D118 HydrophobicContact CG1-CB 4.33Å; V56-R133 WeakPolarHBondContact CG2-O 3.34Å; V56-P135 HydrophobicContact CG2-CG 4.46Å; V56-A138 HydrophobicContact CB-CB 4.38Å; V56-A138 HydrophobicContact CG1-CB 3.95Å; V56-A138 HydrophobicContact CG2-CB 4.4Å
57V86.8Confident86.8Confident2 Ų243 Ų431%0.01222%0.216CC..Hα-helixtrans-71.6-32.4-179.3167.40000112.3S55 V59 Y60 M61 I115 D118 S300S55-V57 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 3.39Å; V57-V59 VanDerWaalsContact C-N 3.27Å; V57-V59 PolarHBondContact O-N 2.93Å; V57-Y60 PolarHBondContact O-N 3.3Å; V57-M61 HydrophobicContact CG1-CE 3.47Å; V57-M61 VanDerWaalsContact CG1-CE 3.47Å; V57-M61 HydrophobicContact CG1-CG 4.16Å; V57-M61 HydrophobicContact CG1-SD 3.72Å; V57-M61 WeakPolarHBondContact O-CB 3.31Å; V57-M61 VanDerWaalsContact O-CG 3.27Å; V57-M61 WeakPolarHBondContact O-CG 3.46Å; V57-M61 PolarHBondContact O-N 2.95Å; V57-I115 HydrophobicContact CG1-CG2 4.39Å; V57-D118 HydrophobicContact CG2-CB 4.04Å; V57-D118 WeakPolarHBondContact CG2-OD2 3.27Å; V57-S300 WeakPolarHBondContact CG1-OG 3.43Å
58S88Confident87.4Confident13 Ų1343 Ų439%0.09122%0.216CC..Hα-helixtrans-62.3-35.7171.6-57.80000111.9S55 C62S55-S58 WeakPolarHBondContact O-CB 3.31Å; S55-S58 PolarHBondContact O-N 2.91Å; S55-S58 VanDerWaalsContact O-N 3.14Å; S55-S58 WeakPolarHBondContact OG-CB 3.41Å; S55-S58 PolarHBondContact OG-N 3.14Å; S55-S58 PolarHBondContact OG-OG 2.89Å; S58-C62 PolarHBondContact O-N 2.63Å; S58-C62 PolarHBondContact O-SG 3.43Å
59V93.5Very high87.9Confident5 Ų539.6 Ų39.63%0.0320%0.198CC..Hα-helixtrans-61.4-50.2173.8178.50000110.5V53 S55 V56 V57 M61 C62 N63 A138 R139V53-V59 HydrophobicContact CG1-CB 4.18Å; V53-V59 HydrophobicContact CG1-CG2 3.58Å; S55-V59 PolarHBondContact O-N 2.91Å; S55-V59 VanDerWaalsContact O-N 3.08Å; V56-V59 WeakPolarHBondContact O-CB 3.21Å; V56-V59 PolarHBondContact O-N 2.74Å; V57-V59 VanDerWaalsContact C-N 3.27Å; V57-V59 PolarHBondContact O-N 2.93Å; V59-M61 PolarHBondContact O-N 3.27Å; V59-C62 PolarHBondContact O-N 2.86Å; V59-N63 PolarHBondContact O-N 3.45Å; V59-N63 PolarHBondContact O-ND2 3.24Å; V59-A138 HydrophobicContact CB-CB 4.03Å; V59-A138 HydrophobicContact CG1-CB 4.06Å; V59-A138 HydrophobicContact CG2-CB 4.27Å; V59-R139 HydrophobicContact CG1-CG 3.88Å; V59-R139 HydrophobicContact CG2-CG 4.36Å
60Y94.1Very high88.6Confident9 Ų935 Ų354%0.03519%0.186CC..Hα-helixtrans-62.3-42.4179-58.5-40.6000112.2V56 V57 C62 N63 L64 L114 I115 D118 A138 L141 C142V56-Y60 HydrophobicContact CG1-CD2 4.14Å; V56-Y60 HydrophobicContact CG1-CE2 3.41Å; V56-Y60 VanDerWaalsContact CG1-CE2 3.41Å; V56-Y60 WeakPolarHBondContact O-CD2 3.34Å; V56-Y60 PolarHBondContact O-N 2.95Å; V57-Y60 PolarHBondContact O-N 3.3Å; Y60-C62 PolarHBondContact O-N 2.91Å; Y60-N63 PolarHBondContact O-N 2.91Å; Y60-L64 PolarHBondContact O-N 3.01Å; Y60-L114 HydrophobicContact CD1-CB 4.04Å; Y60-L114 HydrophobicContact CD1-CD1 3.98Å; Y60-L114 HydrophobicContact CD2-CB 3.99Å; Y60-L114 HydrophobicContact CE1-CB 4.03Å; Y60-L114 HydrophobicContact CE1-CD1 3.81Å; Y60-L114 HydrophobicContact CE1-CG 4.39Å; Y60-L114 HydrophobicContact CE2-CB 3.93Å; Y60-L114 HydrophobicContact CG-CB 4.07Å; Y60-I115 HydrophobicContact CD2-CG1 4.25Å; Y60-I115 HydrophobicContact CG-CG1 4.4Å; Y60-D118 HydrophobicContact CE2-CB 4.33Å; Y60-A138 HydrophobicContact CE1-CB 3.8Å; Y60-L141 HydrophobicContact CE1-CB 4.47Å; Y60-L141 WeakPolarHBondContact OH-CD1 3.35Å; Y60-C142 VanDerWaalsContact CD1-SG 3.53Å
61M92.1Very high89.9Confident1 Ų132.6 Ų32.61%0.00517%0.166CC..Hα-helixtrans-65.6-36.3178.2-71.5177.5170.700113.4F47 V57 V59 N63 L64 A65 I115 L235 V296 Y297 S300F47-M61 HydrophobicContact CD2-CB 4.3Å; F47-M61 HydrophobicContact CE1-CB 4.28Å; F47-M61 HydrophobicContact CE1-SD 4.15Å; F47-M61 HydrophobicContact CE2-CB 3.71Å; F47-M61 HydrophobicContact CZ-CB 3.71Å; F47-M61 HydrophobicContact CZ-CG 4.3Å; F47-M61 HydrophobicContact CZ-SD 3.82Å; V57-M61 HydrophobicContact CG1-CE 3.47Å; V57-M61 VanDerWaalsContact CG1-CE 3.47Å; V57-M61 HydrophobicContact CG1-CG 4.16Å; V57-M61 HydrophobicContact CG1-SD 3.72Å; V57-M61 WeakPolarHBondContact O-CB 3.31Å; V57-M61 VanDerWaalsContact O-CG 3.27Å; V57-M61 WeakPolarHBondContact O-CG 3.46Å; V57-M61 PolarHBondContact O-N 2.95Å; V59-M61 PolarHBondContact O-N 3.27Å; M61-N63 VanDerWaalsContact C-N 3.3Å; M61-N63 PolarHBondContact O-N 3.39Å; M61-L64 PolarHBondContact O-N 3.27Å; M61-A65 WeakPolarHBondContact O-CB 3.35Å; M61-A65 PolarHBondContact O-N 3.38Å; M61-I115 HydrophobicContact CE-CD1 4.31Å; M61-I115 HydrophobicContact CE-CG2 4.41Å; M61-I115 HydrophobicContact CG-CD1 4.01Å; M61-L235 HydrophobicContact CE-CD1 4.35Å; M61-V296 HydrophobicContact CE-CG1 3.8Å; M61-Y297 HydrophobicContact CB-CD1 4.02Å; M61-Y297 HydrophobicContact CB-CE1 3.98Å; M61-Y297 HydrophobicContact CE-CD1 4.48Å; M61-Y297 HydrophobicContact CG-CD1 3.87Å; M61-Y297 HydrophobicContact CG-CE1 4.04Å; M61-Y297 HydrophobicContact SD-CD1 4.01Å; M61-S300 VanDerWaalsContact CE-OG 3.24Å; M61-S300 WeakPolarHBondContact CE-OG 3.37Å
62C93.5Very high91.2Very high11 Ų1130.4 Ų30.47%0.07416%0.155CC..Hα-helixtrans-61.2-42.2173.1-70.20000111.5L44 F47 S58 V59 Y60 A66L44-C62 HydrophobicContact CD1-CB 4.11Å; F47-C62 WeakPolarHBondContact CB-SG 3.49Å; S58-C62 PolarHBondContact O-N 2.63Å; S58-C62 PolarHBondContact O-SG 3.43Å; V59-C62 PolarHBondContact O-N 2.86Å; Y60-C62 PolarHBondContact O-N 2.91Å; C62-A66 VanDerWaalsContact O-CB 3.3Å; C62-A66 WeakPolarHBondContact O-CB 3.27Å; C62-A66 PolarHBondContact O-N 3.25Å
63N96.2Very high92.3Very high33 Ų3327 Ų2718%0.17615%0.15CC..Hα-helixtrans-72.2-37-178.9-74.5-90.4000111.8V59 Y60 M61 A66 S67 F111 C142 W146V59-N63 PolarHBondContact O-N 3.45Å; V59-N63 PolarHBondContact O-ND2 3.24Å; Y60-N63 PolarHBondContact O-N 2.91Å; M61-N63 VanDerWaalsContact C-N 3.3Å; M61-N63 PolarHBondContact O-N 3.39Å; N63-A66 PolarHBondContact O-N 2.83Å; N63-S67 PolarHBondContact O-N 2.81Å; N63-S67 PolarHBondContact O-OG 3.42Å; N63-F111 HydrophobicContact CB-CD1 4.09Å; N63-F111 HydrophobicContact CB-CD2 4.35Å; N63-F111 HydrophobicContact CB-CE1 3.53Å; N63-F111 HydrophobicContact CB-CE2 3.83Å; N63-F111 HydrophobicContact CB-CZ 3.41Å; N63-F111 VanDerWaalsContact CB-CZ 3.41Å; N63-C142 PolarHBondContact ND2-SG 3.24Å; N63-C142 VanDerWaalsContact ND2-SG 3.4Å; N63-W146 PolarHBondContact OD1-NE1 3.38Å
64L95.6Very high93.3Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-59.7-51.5171.3-174.962.2000111.2Y60 M61 A66 S67 D68 S108 F111 L112 I115 D293 Y297Y60-L64 PolarHBondContact O-N 3.01Å; M61-L64 PolarHBondContact O-N 3.27Å; L64-A66 VanDerWaalsContact C-N 3.26Å; L64-A66 PolarHBondContact O-N 2.95Å; L64-S67 PolarHBondContact O-N 3.46Å; L64-S67 VanDerWaalsContact O-N 3.13Å; L64-S67 PolarHBondContact O-OG 2.99Å; L64-D68 VanDerWaalsContact O-CG 3.28Å; L64-D68 PolarHBondContact O-N 3.27Å; L64-S108 WeakPolarHBondContact CD1-OG 3.32Å; L64-F111 HydrophobicContact CB-CB 4.15Å; L64-F111 HydrophobicContact CB-CD2 4.45Å; L64-F111 HydrophobicContact CD1-CB 4.12Å; L64-F111 HydrophobicContact CD1-CD2 4.5Å; L64-L112 HydrophobicContact CD2-CD2 3.92Å; L64-L112 HydrophobicContact CD2-CG 4.38Å; L64-I115 HydrophobicContact CD2-CD1 4.33Å; L64-D293 HydrophobicContact CD2-CB 4.17Å; L64-D293 HydrophobicContact CG-CB 4.5Å; L64-Y297 HydrophobicContact CD2-CE1 4.03Å; L64-Y297 WeakPolarHBondContact CG-OH 3.47Å
65A95.6Very high94.1Very high0 Ų018.6 Ų18.60%011%0.109CC..Hα-helixtrans-60.9-35.6176.600000112.2L44 M61 D68 L69 Y297L44-A65 HydrophobicContact CB-CB 4.27Å; M61-A65 WeakPolarHBondContact O-CB 3.35Å; M61-A65 PolarHBondContact O-N 3.38Å; A65-D68 PolarHBondContact O-N 3.25Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 VanDerWaalsContact O-CG 3.26Å; A65-L69 WeakPolarHBondContact O-CG 3.4Å; A65-L69 PolarHBondContact O-N 2.85Å; A65-Y297 WeakPolarHBondContact CA-OH 3.43Å; A65-Y297 HydrophobicContact CB-CE2 4.36Å; A65-Y297 PolarHBondContact N-OH 3.42Å
66A96.5Very high94.7Very high27 Ų2719.2 Ų19.222%0.22311%0.111CC..Hα-helixtrans-66.7-43175.100000112.2C62 N63 L64 D68 L69 L70 W146C62-A66 VanDerWaalsContact O-CB 3.3Å; C62-A66 WeakPolarHBondContact O-CB 3.27Å; C62-A66 PolarHBondContact O-N 3.25Å; N63-A66 PolarHBondContact O-N 2.83Å; L64-A66 VanDerWaalsContact C-N 3.26Å; L64-A66 PolarHBondContact O-N 2.95Å; A66-D68 VanDerWaalsContact C-N 3.32Å; A66-D68 PolarHBondContact O-N 2.93Å; A66-L69 PolarHBondContact O-N 2.85Å; A66-L70 WeakPolarHBondContact O-CG 3.45Å; A66-L70 PolarHBondContact O-N 3.38Å; A66-W146 HydrophobicContact CB-CZ2 4.37Å
67S97Very high95Very high3 Ų320.7 Ų20.72%0.02112%0.118CC..Hα-helixtrans-64.6-36.517551.60000112.5N63 L64 L70 F71 N104N63-S67 PolarHBondContact O-N 2.81Å; N63-S67 PolarHBondContact O-OG 3.42Å; L64-S67 PolarHBondContact O-N 3.46Å; L64-S67 VanDerWaalsContact O-N 3.13Å; L64-S67 PolarHBondContact O-OG 2.99Å; S67-L70 PolarHBondContact O-N 2.81Å; S67-F71 PolarHBondContact O-N 3.17Å; S67-F71 VanDerWaalsContact O-N 3.11Å; S67-N104 PolarHBondContact O-ND2 3.03Å
68D96.8Very high95.4Very high0 Ų020.8 Ų20.80%012%0.119CC..Hα-helixtrans-67.4-39.1176.1-67.9-21.4000112.6N40 L64 A65 A66 F71 S72 N104 N289 C290 Y297N40-D68 HydrophobicContact CB-CB 4.22Å; N40-D68 PolarHBondContact OD1-OD2 3.47Å; L64-D68 VanDerWaalsContact O-CG 3.28Å; L64-D68 PolarHBondContact O-N 3.27Å; A65-D68 PolarHBondContact O-N 3.25Å; A66-D68 VanDerWaalsContact C-N 3.32Å; A66-D68 PolarHBondContact O-N 2.93Å; D68-F71 PolarHBondContact O-N 3.47Å; D68-S72 VanDerWaalsContact O-CB 3.31Å; D68-S72 WeakPolarHBondContact O-CB 3.37Å; D68-S72 PolarHBondContact O-N 3.08Å; D68-S72 PolarHBondContact O-OG 3.36Å; D68-N104 WeakPolarHBondContact CA-ND2 3.45Å; D68-N104 PolarHBondContact N-ND2 2.86Å; D68-N104 PolarHBondContact OD1-ND2 3.32Å; D68-N289 PolarHBondContact OD1-OD1 3.25Å; D68-C290 HydrophobicContact CB-CB 3.75Å; D68-Y297 PolarHBondContact OD2-OH 3.41Å
69L97Very high95.8Very high25 Ų2521.3 Ų21.313%0.13112%0.12CC..Hα-helixtrans-65.1-44.7174-76.9172.3000111.9L37 N40 A41 L44 A65 A66 F71 S72 L73L37-L69 HydrophobicContact CD1-CD2 3.85Å; N40-L69 HydrophobicContact CB-CD2 3.95Å; N40-L69 HydrophobicContact CB-CG 3.87Å; A41-L69 HydrophobicContact CB-CD2 4.06Å; L44-L69 HydrophobicContact CB-CD1 4.2Å; L44-L69 HydrophobicContact CD2-CD1 3.61Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 VanDerWaalsContact O-CG 3.26Å; A65-L69 WeakPolarHBondContact O-CG 3.4Å; A65-L69 PolarHBondContact O-N 2.85Å; A66-L69 PolarHBondContact O-N 2.85Å; L69-F71 VanDerWaalsContact C-N 3.29Å; L69-F71 PolarHBondContact O-N 2.92Å; L69-S72 PolarHBondContact O-N 3.16Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 2.84Å
70L96.8Very high95.9Very high82 Ų8222.5 Ų22.543%0.42913%0.129SC..Hα-helixtrans-58.6-43.5176.5-71.7177.8000111.4A66 S67 S74 I100 W146A66-L70 WeakPolarHBondContact O-CG 3.45Å; A66-L70 PolarHBondContact O-N 3.38Å; S67-L70 PolarHBondContact O-N 2.81Å; L70-S74 PolarHBondContact O-N 3.4Å; L70-I100 HydrophobicContact CB-CG2 4.43Å; L70-I100 WeakPolarHBondContact O-CG2 3.39Å; L70-W146 HydrophobicContact CD1-CH2 3.6Å; L70-W146 HydrophobicContact CD1-CZ3 3.8Å
71F96.8Very high96Very high0 Ų022.1 Ų22.10%013%0.127CC..Hα-helixtrans-64.1-49.3175173.4-117.7000112.2Y29 V32 S67 D68 L69 L73 S74 L75 I100 F101 N104 G287Y29-F71 HydrophobicContact CE1-CZ 4.32Å; V32-F71 HydrophobicContact CG1-CE1 4.48Å; S67-F71 PolarHBondContact O-N 3.17Å; S67-F71 VanDerWaalsContact O-N 3.11Å; D68-F71 PolarHBondContact O-N 3.47Å; L69-F71 VanDerWaalsContact C-N 3.29Å; L69-F71 PolarHBondContact O-N 2.92Å; F71-L73 VanDerWaalsContact C-N 3.3Å; F71-L73 PolarHBondContact O-N 2.88Å; F71-S74 WeakPolarHBondContact O-CA 3.41Å; F71-S74 WeakPolarHBondContact O-CB 3.37Å; F71-S74 PolarHBondContact O-N 3.3Å; F71-S74 PolarHBondContact O-OG 2.88Å; F71-L75 HydrophobicContact CE1-CD1 4.36Å; F71-L75 HydrophobicContact CE1-CD2 4.05Å; F71-L75 HydrophobicContact CE1-CG 4.4Å; F71-L75 HydrophobicContact CE2-CD2 3.73Å; F71-L75 HydrophobicContact CE2-CG 4.46Å; F71-L75 HydrophobicContact CZ-CD2 3.47Å; F71-L75 VanDerWaalsContact CZ-CD2 3.47Å; F71-L75 HydrophobicContact CZ-CG 4.24Å; F71-L75 PolarHBondContact O-N 3.49Å; F71-I100 HydrophobicContact CB-CG2 4.36Å; F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 HydrophobicContact CD2-CD2 4.21Å; F71-F101 HydrophobicContact CE2-CB 4.1Å; F71-F101 AromaticContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CG 4.32Å; F71-F101 AromaticContact CZ-CD2 3.94Å; F71-F101 HydrophobicContact CZ-CD2 3.94Å; F71-F101 HydrophobicContact CZ-CE2 4.5Å; F71-N104 HydrophobicContact CB-CB 3.7Å; F71-N104 HydrophobicContact CG-CB 4.21Å; F71-G287 WeakPolarHBondContact CE1-O 3.05Å
72S97Very high96.1Very high0 Ų022.4 Ų22.40%013%0.129CC..Hα-helixtrans-57.1-43.8179.4-59.20000111.6L33 D68 L69 S74 L75L33-S72 VanDerWaalsContact CD1-O 3.29Å; L33-S72 WeakPolarHBondContact CD1-O 3.49Å; D68-S72 VanDerWaalsContact O-CB 3.31Å; D68-S72 WeakPolarHBondContact O-CB 3.37Å; D68-S72 PolarHBondContact O-N 3.08Å; D68-S72 PolarHBondContact O-OG 3.36Å; L69-S72 PolarHBondContact O-N 3.16Å; S72-S74 PolarHBondContact O-N 3.05Å; S72-L75 WeakPolarHBondContact O-CB 3.2Å; S72-L75 PolarHBondContact O-N 3.27Å; S72-L75 VanDerWaalsContact O-N 3.14Å
73L96.8Very high96.1Very high112 Ų11224.5 Ų24.559%0.58615%0.147SC*.Hα-helixtrans-65.8-22.7177.2-70.9170.4000113.2L37 L69 F71 P76L37-L73 HydrophobicContact CD1-CD2 3.82Å; L37-L73 HydrophobicContact CD1-CG 4.04Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 2.84Å; F71-L73 VanDerWaalsContact C-N 3.3Å; F71-L73 PolarHBondContact O-N 2.88Å; L73-P76 WeakPolarHBondContact O-CD 3.28Å
74S95.8Very high96Very high6 Ų626.9 Ų26.94%0.04216%0.159CC..Hα-helixtrans-84-18.6174.979.60000113.8L70 F71 S72 P76 L77L70-S74 PolarHBondContact O-N 3.4Å; F71-S74 WeakPolarHBondContact O-CA 3.41Å; F71-S74 WeakPolarHBondContact O-CB 3.37Å; F71-S74 PolarHBondContact O-N 3.3Å; F71-S74 PolarHBondContact O-OG 2.88Å; S72-S74 PolarHBondContact O-N 3.05Å; S74-P76 VanDerWaalsContact C-CD 3.4Å; S74-L77 WeakPolarHBondContact O-CB 3.46Å; S74-L77 PolarHBondContact O-N 3.25Å
75L96.1Very high95.8Very high0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-57.7-36.2-177.8-71.4177.9000115Y29 V32 L33 F71 S72 L77 R78 L79Y29-L75 HydrophobicContact CD1-CD2 4.13Å; Y29-L75 HydrophobicContact CD2-CD2 4.21Å; Y29-L75 HydrophobicContact CG-CD2 3.94Å; V32-L75 HydrophobicContact CB-CD1 4.32Å; V32-L75 HydrophobicContact CG1-CD1 3.83Å; L33-L75 HydrophobicContact CB-CD1 3.97Å; L33-L75 HydrophobicContact CD1-CB 4.44Å; F71-L75 HydrophobicContact CE1-CD1 4.36Å; F71-L75 HydrophobicContact CE1-CD2 4.05Å; F71-L75 HydrophobicContact CE1-CG 4.4Å; F71-L75 HydrophobicContact CE2-CD2 3.73Å; F71-L75 HydrophobicContact CE2-CG 4.46Å; F71-L75 HydrophobicContact CZ-CD2 3.47Å; F71-L75 VanDerWaalsContact CZ-CD2 3.47Å; F71-L75 HydrophobicContact CZ-CG 4.24Å; F71-L75 PolarHBondContact O-N 3.49Å; S72-L75 WeakPolarHBondContact O-CB 3.2Å; S72-L75 PolarHBondContact O-N 3.27Å; S72-L75 VanDerWaalsContact O-N 3.14Å; L75-L77 PolarHBondContact O-N 3.36Å; L75-L77 VanDerWaalsContact O-N 3.14Å; L75-R78 WeakPolarHBondContact O-CA 3.39Å; L75-R78 WeakPolarHBondContact O-CB 3.42Å; L75-R78 PolarHBondContact O-N 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.25Å; L75-L79 PolarHBondContact O-N 3.28Å
76P97Very high95.6Very high64 Ų6434.1 Ų34.142%0.41619%0.192SC..Hα-helixtrans-54.5-33.1176.7-28.937000114.1L33 L73 S74 L79 S80L33-P76 HydrophobicContact CD2-CG 4.16Å; L73-P76 WeakPolarHBondContact O-CD 3.28Å; S74-P76 VanDerWaalsContact C-CD 3.4Å; P76-L79 PolarHBondContact O-N 3.22Å; P76-S80 WeakPolarHBondContact O-CB 3.44Å; P76-S80 PolarHBondContact O-N 3.41Å; P76-S80 PolarHBondContact O-OG 3.04Å
77L95.9Very high95.5Very high41 Ų4132.9 Ų32.922%0.21518%0.182CC..Hα-helixtrans-67.3-37.2174.9-62.1175.8000112S74 L75 S80 Y81 W87 F89 L93 A97S74-L77 WeakPolarHBondContact O-CB 3.46Å; S74-L77 PolarHBondContact O-N 3.25Å; L75-L77 PolarHBondContact O-N 3.36Å; L75-L77 VanDerWaalsContact O-N 3.14Å; L77-S80 WeakPolarHBondContact CA-OG 3.33Å; L77-S80 PolarHBondContact O-OG 3.34Å; L77-Y81 PolarHBondContact O-N 2.76Å; L77-W87 HydrophobicContact CB-CH2 4.01Å; L77-W87 HydrophobicContact CB-CZ3 4.49Å; L77-W87 WeakPolarHBondContact O-CZ3 3.48Å; L77-F89 HydrophobicContact CD2-CD2 4.19Å; L77-F89 HydrophobicContact CD2-CE1 4.42Å; L77-F89 HydrophobicContact CD2-CE2 3.99Å; L77-F89 HydrophobicContact CD2-CG 4.49Å; L77-F89 HydrophobicContact CD2-CZ 4.11Å; L77-L93 HydrophobicContact CD1-CD2 4.5Å; L77-A97 HydrophobicContact CD1-CB 4.18Å
78R94.6Very high95.4Very high5 Ų535.4 Ų35.42%0.01920%0.198CC..Hα-helixtrans-71.8-42.9175-64.1-172.8175.6-140.7-8.5111.5L75 S80 Y81 Y82 A97 F176L75-R78 WeakPolarHBondContact O-CA 3.39Å; L75-R78 WeakPolarHBondContact O-CB 3.42Å; L75-R78 PolarHBondContact O-N 3.47Å; R78-S80 PolarHBondContact O-N 2.96Å; R78-Y81 WeakPolarHBondContact O-CB 3.43Å; R78-Y81 PolarHBondContact O-N 3.31Å; R78-Y82 HydrophobicContact CB-CD2 4.32Å; R78-Y82 HydrophobicContact CB-CE2 3.84Å; R78-Y82 WeakPolarHBondContact O-CD2 3.24Å; R78-Y82 PolarHBondContact O-N 3.18Å; R78-A97 PolarHBondContact NH2-O 2.98Å; R78-F176 HydrophobicContact CB-CE2 4.35Å; R78-F176 HydrophobicContact CG-CD2 4.35Å; R78-F176 HydrophobicContact CG-CE2 3.64Å; R78-F176 HydrophobicContact CG-CZ 3.75Å
79L96.8Very high95.3Very high23 Ų2338.3 Ų38.312%0.1221%0.211CC..Hα-helixtrans-62-43.7179.7-68174.2000111.7L26 L33 L75 P76 Y81 Y82 A83L26-L79 HydrophobicContact CD1-CB 4.28Å; L26-L79 HydrophobicContact CD1-CD2 3.94Å; L26-L79 WeakPolarHBondContact CD1-O 3.27Å; L33-L79 HydrophobicContact CD2-CD1 3.75Å; L75-L79 WeakPolarHBondContact O-CG 3.25Å; L75-L79 PolarHBondContact O-N 3.28Å; P76-L79 PolarHBondContact O-N 3.22Å; L79-Y81 VanDerWaalsContact C-N 3.35Å; L79-Y81 PolarHBondContact O-N 3.1Å; L79-Y82 PolarHBondContact O-N 3.21Å; L79-A83 WeakPolarHBondContact O-CB 3.46Å; L79-A83 PolarHBondContact O-N 3.08Å
80S96.8Very high95Very high31 Ų3141.1 Ų41.122%0.21723%0.231CC..Hα-helixtrans-61.6-41.517447.70000112.2P76 L77 R78 A83 L84 F89P76-S80 WeakPolarHBondContact O-CB 3.44Å; P76-S80 PolarHBondContact O-N 3.41Å; P76-S80 PolarHBondContact O-OG 3.04Å; L77-S80 WeakPolarHBondContact CA-OG 3.33Å; L77-S80 PolarHBondContact O-OG 3.34Å; R78-S80 PolarHBondContact O-N 2.96Å; S80-A83 PolarHBondContact O-N 3.14Å; S80-L84 VanDerWaalsContact O-CB 3.28Å; S80-L84 WeakPolarHBondContact O-CB 3.21Å; S80-L84 VanDerWaalsContact O-CG 3.3Å; S80-L84 WeakPolarHBondContact O-CG 3.45Å; S80-L84 PolarHBondContact O-N 2.97Å; S80-F89 VanDerWaalsContact OG-CE2 3.28Å; S80-F89 WeakPolarHBondContact OG-CE2 3.48Å
81Y94.6Very high94.7Very high0 Ų040.1 Ų40.10%023%0.226CC..Hα-helixtrans-59.2-47.8172.3170.9-106.8000112.8H22 L77 R78 L79 A83 L84 H85 W87 L174 C175 F176 E177H22-Y81 AromaticContact CE1-CE1 3.74Å; H22-Y81 AromaticContact CE1-CZ 3.68Å; H22-Y81 AromaticContact NE2-CE1 3.71Å; H22-Y81 AromaticContact NE2-CZ 3.84Å; H22-Y81 PolarHBondContact NE2-OH 2.9Å; L77-Y81 PolarHBondContact O-N 2.76Å; R78-Y81 WeakPolarHBondContact O-CB 3.43Å; R78-Y81 PolarHBondContact O-N 3.31Å; L79-Y81 VanDerWaalsContact C-N 3.35Å; L79-Y81 PolarHBondContact O-N 3.1Å; Y81-A83 VanDerWaalsContact C-N 3.32Å; Y81-A83 PolarHBondContact O-N 3.12Å; Y81-L84 PolarHBondContact O-N 2.72Å; Y81-H85 WeakPolarHBondContact O-CA 3.42Å; Y81-H85 PolarHBondContact O-N 3.23Å; Y81-W87 HydrophobicContact CD2-CB 4.23Å; Y81-W87 HydrophobicContact CD2-CE3 4.11Å; Y81-W87 HydrophobicContact CG-CE3 4.16Å; Y81-L174 HydrophobicContact CE2-CD2 4.35Å; Y81-C175 HydrophobicContact CD2-CB 4.39Å; Y81-C175 WeakPolarHBondContact CE1-O 3.41Å; Y81-C175 HydrophobicContact CE2-CB 4.48Å; Y81-C175 PolarHBondContact OH-O 3.39Å; Y81-F176 AromaticContact CD1-CD2 3.94Å; Y81-F176 HydrophobicContact CD1-CD2 3.94Å; Y81-F176 HydrophobicContact CE1-CD2 4.38Å; Y81-F176 HydrophobicContact CG-CD2 4.48Å; Y81-E177 WeakPolarHBondContact OH-CG 3.41Å
82Y94.3Very high94.4Very high8 Ų845.9 Ų45.93%0.03126%0.256CS..Hα-helixtrans-67.2-33.1-179.2-63.8-49000112.8H22 H25 Y29 R78 L79H22-Y82 HydrophobicContact CB-CD1 4.23Å; H22-Y82 AromaticContact CD2-CD1 3.75Å; H22-Y82 AromaticContact CG-CD1 3.79Å; H22-Y82 PolarHBondContact ND1-O 2.91Å; H25-Y82 HydrophobicContact CB-CD1 4.03Å; H25-Y82 HydrophobicContact CB-CD2 3.6Å; H25-Y82 HydrophobicContact CB-CE1 3.97Å; H25-Y82 HydrophobicContact CB-CE2 3.55Å; H25-Y82 HydrophobicContact CB-CG 3.87Å; H25-Y82 AromaticContact CD2-CE1 3.99Å; H25-Y82 AromaticContact CD2-CE2 3.87Å; H25-Y82 AromaticContact CD2-CZ 3.43Å; H25-Y82 VanDerWaalsContact CD2-CZ 3.43Å; H25-Y82 PolarHBondContact CD2-OH 3.26Å; H25-Y82 AromaticContact CG-CZ 3.78Å; Y29-Y82 HydrophobicContact CD2-CD2 4.45Å; Y29-Y82 AromaticContact CD2-CE2 3.77Å; Y29-Y82 HydrophobicContact CD2-CE2 3.77Å; Y29-Y82 AromaticContact CE2-CE2 3.94Å; Y29-Y82 HydrophobicContact CE2-CE2 3.94Å; R78-Y82 HydrophobicContact CB-CD2 4.32Å; R78-Y82 HydrophobicContact CB-CE2 3.84Å; R78-Y82 WeakPolarHBondContact O-CD2 3.24Å; R78-Y82 PolarHBondContact O-N 3.18Å; L79-Y82 PolarHBondContact O-N 3.21Å
83A95Very high94.2Very high55 Ų5549 Ų4946%0.45527%0.272SS..Hα-helixtrans-72.8-41.2175.600000112.8L26 L79 S80 Y81L26-A83 HydrophobicContact CD1-CB 4.16Å; L79-A83 WeakPolarHBondContact O-CB 3.46Å; L79-A83 PolarHBondContact O-N 3.08Å; S80-A83 PolarHBondContact O-N 3.14Å; Y81-A83 VanDerWaalsContact C-N 3.32Å; Y81-A83 PolarHBondContact O-N 3.12Å
84L93.6Very high93.9Very high83 Ų8343.7 Ų43.744%0.43525%0.245SC..Hα-helixtrans-86.6-16.6-176-67.3174.4000113.6S80 Y81 H86 P88S80-L84 VanDerWaalsContact O-CB 3.28Å; S80-L84 WeakPolarHBondContact O-CB 3.21Å; S80-L84 VanDerWaalsContact O-CG 3.3Å; S80-L84 WeakPolarHBondContact O-CG 3.45Å; S80-L84 PolarHBondContact O-N 2.97Å; Y81-L84 PolarHBondContact O-N 2.72Å; L84-H86 PolarHBondContact O-N 3.41Å; L84-H86 VanDerWaalsContact O-N 3.08Å; L84-H86 PolarHBondContact O-ND1 3.24Å; L84-P88 HydrophobicContact CD1-CB 4.45Å; L84-P88 HydrophobicContact CD1-CG 3.86Å
85H91.4Very high93.7Very high78 Ų7845.1 Ų45.136%0.36125%0.251SS..SBendtrans59.411.2-173.3-55.8-78.2000115.1H22 Y81H22-H85 AromaticContact CE1-ND1 3.76Å; H22-H85 AromaticContact CG-ND1 3.63Å; H22-H85 AromaticContact ND1-CE1 3.68Å; H22-H85 AromaticContact ND1-CG 3.8Å; H22-H85 AromaticContact ND1-ND1 2.92Å; H22-H85 PolarHBondContact ND1-ND1 3Å; Y81-H85 WeakPolarHBondContact O-CA 3.42Å; Y81-H85 PolarHBondContact O-N 3.23Å
86H91.8Very high93.4Very high73 Ų7348 Ų4834%0.33827%0.268SS..SBendtrans-146.9158.7173.366.5-81.7000109.3L84 P88 V172 R173L84-H86 PolarHBondContact O-N 3.41Å; L84-H86 VanDerWaalsContact O-N 3.08Å; L84-H86 PolarHBondContact O-ND1 3.24Å; H86-P88 VanDerWaalsContact O-CD 3.23Å; H86-P88 WeakPolarHBondContact O-CD 3.33Å; H86-V172 HydrophobicContact CB-CB 4.18Å; H86-R173 CarbonylContact C-O 3.44Å; H86-R173 WeakPolarHBondContact CA-O 3.44Å
87W93.9Very high93.2Very high2 Ų245 Ų451%0.00825%0.248CC..  trans-91.9107179.9-174.7-102.1000110.6L77 Y81 F89 P90 L93 C94 R173 C175 F176L77-W87 HydrophobicContact CB-CH2 4.01Å; L77-W87 HydrophobicContact CB-CZ3 4.49Å; L77-W87 WeakPolarHBondContact O-CZ3 3.48Å; Y81-W87 HydrophobicContact CD2-CB 4.23Å; Y81-W87 HydrophobicContact CD2-CE3 4.11Å; Y81-W87 HydrophobicContact CG-CE3 4.16Å; W87-F89 HydrophobicContact CD2-CD2 4.25Å; W87-F89 AromaticContact CE2-CD2 3.94Å; W87-F89 HydrophobicContact CE3-CD2 4.33Å; W87-F89 AromaticContact CH2-CD2 3.88Å; W87-F89 HydrophobicContact CH2-CD2 3.88Å; W87-F89 HydrophobicContact CZ2-CB 3.73Å; W87-F89 AromaticContact CZ2-CD2 3.74Å; W87-F89 HydrophobicContact CZ2-CD2 3.74Å; W87-F89 HydrophobicContact CZ2-CG 4.18Å; W87-F89 HydrophobicContact CZ3-CD2 4.16Å; W87-F89 PolarHBondContact NE1-O 2.87Å; W87-P90 PolarHBondContact NE1-O 2.9Å; W87-P90 VanDerWaalsContact NE1-O 3.1Å; W87-L93 HydrophobicContact CZ2-CB 3.87Å; W87-C94 HydrophobicContact CD2-CB 4.16Å; W87-C94 HydrophobicContact CH2-CB 4.31Å; W87-C94 VanDerWaalsContact CZ2-CA 3.42Å; W87-C94 HydrophobicContact CZ2-CB 3.69Å; W87-R173 HydrophobicContact CB-CB 4.18Å; W87-R173 WeakPolarHBondContact CB-O 3.22Å; W87-R173 PolarHBondContact N-O 3.25Å; W87-R173 PolarHBondContact O-NH2 2.83Å; W87-C175 HydrophobicContact CB-CB 4.08Å; W87-C175 HydrophobicContact CD2-CB 3.66Å; W87-C175 HydrophobicContact CE3-CB 3.47Å; W87-C175 VanDerWaalsContact CE3-CB 3.47Å; W87-C175 HydrophobicContact CG-CB 3.93Å; W87-C175 HydrophobicContact CZ3-CB 4.17Å; W87-F176 HydrophobicContact CE3-CE2 4.42Å; W87-F176 HydrophobicContact CH2-CE2 4.48Å; W87-F176 HydrophobicContact CH2-CZ 4.45Å; W87-F176 AromaticContact CZ3-CE2 3.79Å; W87-F176 HydrophobicContact CZ3-CE2 3.79Å; W87-F176 HydrophobicContact CZ3-CZ 4.2Å
88P93.8Very high93Very high55 Ų5543 Ų4336%0.35724%0.238SC..  trans-83.5-18.6-177.234.6-37.1000112.9L84 H86 R173L84-P88 HydrophobicContact CD1-CB 4.45Å; L84-P88 HydrophobicContact CD1-CG 3.86Å; H86-P88 VanDerWaalsContact O-CD 3.23Å; H86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-R173 PolarHBondContact O-NH2 3.48Å
89F94.6Very high92.8Very high62 Ų6243.3 Ų43.327%0.27224%0.242SC..SBendtrans-87.8172.3-171.1-52.1-74.3000113.3L77 S80 W87 L93 R173L77-F89 HydrophobicContact CD2-CD2 4.19Å; L77-F89 HydrophobicContact CD2-CE1 4.42Å; L77-F89 HydrophobicContact CD2-CE2 3.99Å; L77-F89 HydrophobicContact CD2-CG 4.49Å; L77-F89 HydrophobicContact CD2-CZ 4.11Å; S80-F89 VanDerWaalsContact OG-CE2 3.28Å; S80-F89 WeakPolarHBondContact OG-CE2 3.48Å; W87-F89 HydrophobicContact CD2-CD2 4.25Å; W87-F89 AromaticContact CE2-CD2 3.94Å; W87-F89 HydrophobicContact CE3-CD2 4.33Å; W87-F89 AromaticContact CH2-CD2 3.88Å; W87-F89 HydrophobicContact CH2-CD2 3.88Å; W87-F89 HydrophobicContact CZ2-CB 3.73Å; W87-F89 AromaticContact CZ2-CD2 3.74Å; W87-F89 HydrophobicContact CZ2-CD2 3.74Å; W87-F89 HydrophobicContact CZ2-CG 4.18Å; W87-F89 HydrophobicContact CZ3-CD2 4.16Å; W87-F89 PolarHBondContact NE1-O 2.87Å; F89-L93 HydrophobicContact CB-CB 4.27Å; F89-L93 HydrophobicContact CB-CD1 4.01Å; F89-L93 HydrophobicContact CD1-CD1 4.42Å; F89-L93 HydrophobicContact CG-CD1 4.38Å; F89-R173 VanDerWaalsContact O-CZ 3.27Å; F89-R173 PolarHBondContact O-NH1 3.45Å; F89-R173 PolarHBondContact O-NH2 3.14Å
90P92.6Very high92.7Very high84 Ų8444.1 Ų44.155%0.54525%0.246SC..  trans-59.6155.5169.5-26.936.4000113.3W87 L92 L93W87-P90 PolarHBondContact NE1-O 2.9Å; W87-P90 VanDerWaalsContact NE1-O 3.1Å; P90-L92 PolarHBondContact O-N 3.44Å; P90-L93 PolarHBondContact O-N 3.28Å; P90-L93 VanDerWaalsContact O-N 3.15Å
91D89.7Confident92.5Very high61 Ų6142.9 Ų42.933%0.32624%0.237SC..Hα-helixtrans-62-32.2-178.7-65.94.5000112.2L93 C94 Q95 P162 R173D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.36Å; D91-C94 WeakPolarHBondContact O-CB 3.25Å; D91-C94 PolarHBondContact O-N 3.48Å; D91-Q95 WeakPolarHBondContact O-CG 3.37Å; D91-Q95 PolarHBondContact O-N 2.96Å; D91-Q95 VanDerWaalsContact O-N 3.12Å; D91-Q95 PolarHBondContact O-NE2 3Å; D91-P162 HydrophobicContact CB-CG 3.85Å; D91-P162 VanDerWaalsContact OD1-CG 3.31Å; D91-P162 WeakPolarHBondContact OD1-CG 3.45Å; D91-R173 IonicContact OD1-CZ 3.39Å; D91-R173 IonicContact OD1-NH1 3.41Å; D91-R173 PolarHBondContact OD1-NH1 3.36Å
92L90.1Very high92.3Very high120 Ų12043.6 Ų43.663%0.62824%0.24SC*.Hα-helixtrans-58.8-40.7176.9-177.863000111.7P90 C94 Q95 T96P90-L92 PolarHBondContact O-N 3.44Å; L92-C94 VanDerWaalsContact C-N 3.34Å; L92-C94 PolarHBondContact O-N 2.83Å; L92-Q95 PolarHBondContact O-N 3.46Å; L92-T96 WeakPolarHBondContact O-CB 3.3Å; L92-T96 PolarHBondContact O-N 2.98Å; L92-T96 PolarHBondContact O-OG1 2.89Å
93L92.8Very high92.3Very high67 Ų6744.4 Ų44.435%0.35124%0.244SC..Hα-helixtrans-68.7-33.4179.7-73.4-178.8000112.2L77 W87 F89 P90 D91 A97L77-L93 HydrophobicContact CD1-CD2 4.5Å; W87-L93 HydrophobicContact CZ2-CB 3.87Å; F89-L93 HydrophobicContact CB-CB 4.27Å; F89-L93 HydrophobicContact CB-CD1 4.01Å; F89-L93 HydrophobicContact CD1-CD1 4.42Å; F89-L93 HydrophobicContact CG-CD1 4.38Å; P90-L93 PolarHBondContact O-N 3.28Å; P90-L93 VanDerWaalsContact O-N 3.15Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.36Å; L93-A97 WeakPolarHBondContact O-CB 3.41Å; L93-A97 PolarHBondContact O-N 3.4Å
94C91.3Very high92.3Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-63.9-48.1174.7174.70000110.2W87 D91 L92 A97 G98 H160 C175W87-C94 HydrophobicContact CD2-CB 4.16Å; W87-C94 HydrophobicContact CH2-CB 4.31Å; W87-C94 VanDerWaalsContact CZ2-CA 3.42Å; W87-C94 HydrophobicContact CZ2-CB 3.69Å; D91-C94 WeakPolarHBondContact O-CB 3.25Å; D91-C94 PolarHBondContact O-N 3.48Å; L92-C94 VanDerWaalsContact C-N 3.34Å; L92-C94 PolarHBondContact O-N 2.83Å; C94-A97 PolarHBondContact O-N 3.43Å; C94-G98 PolarHBondContact O-N 3.34Å; C94-H160 PolarHBondContact SG-O 3.38Å; C94-C175 VanDerWaalsContact CA-SG 3.53Å; C94-C175 HydrophobicContact CB-CB 4.05Å; C94-C175 WeakPolarHBondContact CB-SG 3Å; C94-C175 WeakPolarHBondContact SG-CB 3.27Å; C94-C175 CovalentContact SG-SG 2.02Å; C94-C175 PolarHBondContact SG-SG 2.87Å
95Q90.3Very high92.3Very high36 Ų3638 Ų3817%0.16820%0.203CC..Hα-helixtrans-63.7-45.6179.7-63.4173.141.800111.4D91 L92 G98 A99 A157 R161D91-Q95 WeakPolarHBondContact O-CG 3.37Å; D91-Q95 PolarHBondContact O-N 2.96Å; D91-Q95 VanDerWaalsContact O-N 3.12Å; D91-Q95 PolarHBondContact O-NE2 3Å; L92-Q95 PolarHBondContact O-N 3.46Å; Q95-G98 PolarHBondContact O-N 2.96Å; Q95-A99 WeakPolarHBondContact O-CB 3.5Å; Q95-A99 PolarHBondContact O-N 2.86Å; Q95-A157 HydrophobicContact CB-CB 4.24Å; Q95-A157 WeakPolarHBondContact CB-O 3.5Å; Q95-A157 WeakPolarHBondContact CG-O 3.29Å; Q95-R161 HydrophobicContact CG-CG 4.36Å
96T91.1Very high92.4Very high59 Ų5934.7 Ų34.736%0.36219%0.187SC..Hα-helixtrans-64.2-43.4178-60.30000111.9L92 G98 A99 I100L92-T96 WeakPolarHBondContact O-CB 3.3Å; L92-T96 PolarHBondContact O-N 2.98Å; L92-T96 PolarHBondContact O-OG1 2.89Å; T96-G98 VanDerWaalsContact C-N 3.28Å; T96-G98 PolarHBondContact O-N 2.77Å; T96-A99 WeakPolarHBondContact O-CB 3.5Å; T96-A99 PolarHBondContact O-N 3.01Å; T96-I100 HydrophobicContact CG2-CD1 3.89Å; T96-I100 HydrophobicContact CG2-CG1 4.35Å; T96-I100 VanDerWaalsContact O-CG1 3.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.26Å; T96-I100 PolarHBondContact O-N 2.99Å
97A92.7Very high92.6Very high1 Ų131.2 Ų31.21%0.00817%0.171CC..Hα-helixtrans-67.5-28.7176.700000112.9L77 R78 L93 C94 F176L77-A97 HydrophobicContact CD1-CB 4.18Å; R78-A97 PolarHBondContact NH2-O 2.98Å; L93-A97 WeakPolarHBondContact O-CB 3.41Å; L93-A97 PolarHBondContact O-N 3.4Å; C94-A97 PolarHBondContact O-N 3.43Å; A97-F176 HydrophobicContact CB-CE1 4.19Å; A97-F176 HydrophobicContact CB-CZ 3.79Å
98G90.4Very high92.7Very high0 Ų031.1 Ų31.10%017%0.171CC..Hα-helixtrans-68.1-48.9168.900000111.6C94 Q95 T96 I100 F101 Q102 H160C94-G98 PolarHBondContact O-N 3.34Å; Q95-G98 PolarHBondContact O-N 2.96Å; T96-G98 VanDerWaalsContact C-N 3.28Å; T96-G98 PolarHBondContact O-N 2.77Å; G98-I100 PolarHBondContact O-N 3.34Å; G98-F101 WeakPolarHBondContact O-CB 3.48Å; G98-F101 PolarHBondContact O-N 3.33Å; G98-Q102 PolarHBondContact O-N 2.94Å; G98-Q102 VanDerWaalsContact O-N 3.16Å; G98-H160 VanDerWaalsContact CA-CD2 3.48Å; G98-H160 WeakPolarHBondContact CA-CD2 3.36Å
99A91.4Very high92.8Very high12 Ų1228.5 Ų28.510%0.09915%0.154CC..Hα-helixtrans-59.4-43.6177.900000112.8Q95 T96 F101 Q102 M103 A153 A157Q95-A99 WeakPolarHBondContact O-CB 3.5Å; Q95-A99 PolarHBondContact O-N 2.86Å; T96-A99 WeakPolarHBondContact O-CB 3.5Å; T96-A99 PolarHBondContact O-N 3.01Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-F101 PolarHBondContact O-N 2.97Å; A99-Q102 WeakPolarHBondContact O-CB 3.46Å; A99-Q102 PolarHBondContact O-N 3.19Å; A99-Q102 VanDerWaalsContact O-N 3.14Å; A99-M103 VanDerWaalsContact O-CG 3.3Å; A99-M103 WeakPolarHBondContact O-CG 3.5Å; A99-M103 PolarHBondContact O-N 3.37Å; A99-A153 HydrophobicContact CB-CB 4.13Å; A99-A157 HydrophobicContact CB-CB 4.21Å
100I94.5Very high92.9Very high40 Ų4026.2 Ų26.221%0.20514%0.144CC..Hα-helixtrans-60.5-40.8178.1-72.4168.6000111.4L70 F71 T96 G98 M103 N104L70-I100 HydrophobicContact CB-CG2 4.43Å; L70-I100 WeakPolarHBondContact O-CG2 3.39Å; F71-I100 HydrophobicContact CB-CG2 4.36Å; T96-I100 HydrophobicContact CG2-CD1 3.89Å; T96-I100 HydrophobicContact CG2-CG1 4.35Å; T96-I100 VanDerWaalsContact O-CG1 3.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.26Å; T96-I100 PolarHBondContact O-N 2.99Å; G98-I100 PolarHBondContact O-N 3.34Å; I100-M103 PolarHBondContact O-N 3.19Å; I100-N104 WeakPolarHBondContact O-CB 3.33Å; I100-N104 PolarHBondContact O-N 3.34Å
101F92.3Very high93.1Very high4 Ų422.2 Ų22.22%0.01812%0.118CC..Hα-helixtrans-62.6-43.6174.8169.4-95000111.6F71 G98 A99 M103 N104 M105 Y250 V283 A286F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 HydrophobicContact CD2-CD2 4.21Å; F71-F101 HydrophobicContact CE2-CB 4.1Å; F71-F101 AromaticContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CD2 3.55Å; F71-F101 HydrophobicContact CE2-CG 4.32Å; F71-F101 AromaticContact CZ-CD2 3.94Å; F71-F101 HydrophobicContact CZ-CD2 3.94Å; F71-F101 HydrophobicContact CZ-CE2 4.5Å; G98-F101 WeakPolarHBondContact O-CB 3.48Å; G98-F101 PolarHBondContact O-N 3.33Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-F101 PolarHBondContact O-N 2.97Å; F101-M103 VanDerWaalsContact C-N 3.34Å; F101-M103 PolarHBondContact O-N 3.06Å; F101-N104 PolarHBondContact O-N 3.25Å; F101-M105 HydrophobicContact CE1-SD 4.46Å; F101-M105 WeakPolarHBondContact O-CB 3.26Å; F101-M105 PolarHBondContact O-N 3.07Å; F101-Y250 HydrophobicContact CE1-CE2 4.46Å; F101-Y250 HydrophobicContact CZ-CE2 4.48Å; F101-V283 HydrophobicContact CE1-CG2 3.74Å; F101-V283 HydrophobicContact CE2-CG2 3.88Å; F101-V283 HydrophobicContact CZ-CG2 3.29Å; F101-A286 HydrophobicContact CE2-CB 4.5Å; F101-A286 HydrophobicContact CZ-CB 4.16Å
102Q90.5Very high93.4Very high16 Ų1619.3 Ų19.38%0.07510%0.103CC..Hα-helixtrans-63.1-41.9176.8-167.263.862.500112G98 A99 M105 Y106 A156G98-Q102 PolarHBondContact O-N 2.94Å; G98-Q102 VanDerWaalsContact O-N 3.16Å; A99-Q102 WeakPolarHBondContact O-CB 3.46Å; A99-Q102 PolarHBondContact O-N 3.19Å; A99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-M105 PolarHBondContact O-N 3.46Å; Q102-Y106 HydrophobicContact CG-CD2 4.03Å; Q102-Y106 HydrophobicContact CG-CE2 3.89Å; Q102-Y106 VanDerWaalsContact NE2-CD2 3.29Å; Q102-Y106 PolarHBondContact NE2-OH 3.09Å; Q102-Y106 PolarHBondContact O-N 3.32Å; Q102-Y106 VanDerWaalsContact O-N 3.08Å; Q102-A156 HydrophobicContact CB-CB 4.11Å; Q102-A156 HydrophobicContact CG-CB 3.98Å
103M93.9Very high93.7Very high25 Ų2514.8 Ų14.812%0.1238%0.079CC..Hα-helixtrans-62.2-45175.8-72.6175.967.500111.6A99 I100 F101 G107 W146 I149 L150 A153A99-M103 VanDerWaalsContact O-CG 3.3Å; A99-M103 WeakPolarHBondContact O-CG 3.5Å; A99-M103 PolarHBondContact O-N 3.37Å; I100-M103 PolarHBondContact O-N 3.19Å; F101-M103 VanDerWaalsContact C-N 3.34Å; F101-M103 PolarHBondContact O-N 3.06Å; M103-G107 VanDerWaalsContact O-CA 3.29Å; M103-G107 WeakPolarHBondContact O-CA 3.31Å; M103-G107 PolarHBondContact O-N 3.2Å; M103-W146 HydrophobicContact CE-CE3 4.05Å; M103-W146 HydrophobicContact CE-CZ3 3.84Å; M103-I149 HydrophobicContact CB-CB 4.43Å; M103-I149 HydrophobicContact CB-CD1 4.14Å; M103-I149 HydrophobicContact CB-CG1 4.34Å; M103-I149 HydrophobicContact CE-CD1 4.19Å; M103-I149 HydrophobicContact CE-CG1 4.09Å; M103-I149 HydrophobicContact CG-CB 4.32Å; M103-I149 HydrophobicContact CG-CG1 4.26Å; M103-L150 HydrophobicContact CE-CD2 3.5Å; M103-L150 VanDerWaalsContact CE-CD2 3.5Å; M103-L150 HydrophobicContact CE-CG 3.86Å; M103-L150 HydrophobicContact SD-CD2 3.99Å; M103-A153 HydrophobicContact CG-CB 3.65Å; M103-A153 HydrophobicContact SD-CB 4.16Å
104N95.4Very high93.8Very high2 Ų212.5 Ų12.51%0.0117%0.067CC..Hα-helixtrans-60.9-47.9174.2172.8-96.6000110.8S67 D68 F71 I100 F101 Y106 G107 S108 N289S67-N104 PolarHBondContact O-ND2 3.03Å; D68-N104 WeakPolarHBondContact CA-ND2 3.45Å; D68-N104 PolarHBondContact N-ND2 2.86Å; D68-N104 PolarHBondContact OD1-ND2 3.32Å; F71-N104 HydrophobicContact CB-CB 3.7Å; F71-N104 HydrophobicContact CG-CB 4.21Å; I100-N104 WeakPolarHBondContact O-CB 3.33Å; I100-N104 PolarHBondContact O-N 3.34Å; F101-N104 PolarHBondContact O-N 3.25Å; N104-Y106 PolarHBondContact O-N 3.5Å; N104-G107 PolarHBondContact O-N 3.07Å; N104-S108 VanDerWaalsContact O-CB 3.29Å; N104-S108 WeakPolarHBondContact O-CB 3.34Å; N104-S108 PolarHBondContact O-N 3.07Å; N104-S108 PolarHBondContact O-OG 3.11Å; N104-N289 PolarHBondContact OD1-ND2 3.39Å
105M93.3Very high93.9Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-59.6-53.9-176.4-170.2-177.98400113F101 Q102 C109 F247 Y250 N251F101-M105 HydrophobicContact CE1-SD 4.46Å; F101-M105 WeakPolarHBondContact O-CB 3.26Å; F101-M105 PolarHBondContact O-N 3.07Å; Q102-M105 PolarHBondContact O-N 3.46Å; M105-C109 PolarHBondContact O-N 3.23Å; M105-C109 VanDerWaalsContact O-N 3.14Å; M105-C109 PolarHBondContact O-SG 3.46Å; M105-F247 HydrophobicContact CG-CD1 3.84Å; M105-F247 HydrophobicContact CG-CE1 4.13Å; M105-Y250 HydrophobicContact CE-CD1 4.03Å; M105-Y250 HydrophobicContact CE-CE1 3.64Å; M105-Y250 HydrophobicContact SD-CD1 3.26Å; M105-Y250 WeakPolarHBondContact SD-CD1 3.11Å; M105-Y250 HydrophobicContact SD-CE1 3.17Å; M105-Y250 WeakPolarHBondContact SD-CE1 3.06Å; M105-Y250 HydrophobicContact SD-CG 4.3Å; M105-N251 WeakPolarHBondContact CE-OD1 3.45Å
106Y94.2Very high94Very high9 Ų910.8 Ų10.84%0.0356%0.059CC..Hα-helixtrans-72.7-34.2178.5-66.6-37.2000112.2Q102 N104 C109 I110 A195 E196Q102-Y106 HydrophobicContact CG-CD2 4.03Å; Q102-Y106 HydrophobicContact CG-CE2 3.89Å; Q102-Y106 VanDerWaalsContact NE2-CD2 3.29Å; Q102-Y106 PolarHBondContact NE2-OH 3.09Å; Q102-Y106 PolarHBondContact O-N 3.32Å; Q102-Y106 VanDerWaalsContact O-N 3.08Å; N104-Y106 PolarHBondContact O-N 3.5Å; Y106-C109 PolarHBondContact O-N 3.14Å; Y106-I110 VanDerWaalsContact O-CG1 3.25Å; Y106-I110 WeakPolarHBondContact O-CG1 3.47Å; Y106-I110 PolarHBondContact O-N 2.85Å; Y106-A195 HydrophobicContact CE2-CB 3.99Å; Y106-E196 PolarHBondContact OH-OE1 2.94Å
107G96.4Very high94.1Very high0 Ų010.7 Ų10.70%06%0.058CC..Hα-helixtrans-58.8-52.6174.600000111.2M103 N104 C109 I110 F111M103-G107 VanDerWaalsContact O-CA 3.29Å; M103-G107 WeakPolarHBondContact O-CA 3.31Å; M103-G107 PolarHBondContact O-N 3.2Å; N104-G107 PolarHBondContact O-N 3.07Å; G107-C109 PolarHBondContact O-N 3.45Å; G107-I110 PolarHBondContact O-N 2.94Å; G107-F111 WeakPolarHBondContact O-CB 3.13Å; G107-F111 WeakPolarHBondContact O-CD2 3.02Å; G107-F111 WeakPolarHBondContact O-CG 3.29Å; G107-F111 PolarHBondContact O-N 2.78Å
108S96.1Very high94.1Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-61.6-42.6178.6-60.90000111.7L64 N104 I110 F111 L112L64-S108 WeakPolarHBondContact CD1-OG 3.32Å; N104-S108 VanDerWaalsContact O-CB 3.29Å; N104-S108 WeakPolarHBondContact O-CB 3.34Å; N104-S108 PolarHBondContact O-N 3.07Å; N104-S108 PolarHBondContact O-OG 3.11Å; S108-I110 PolarHBondContact O-N 2.83Å; S108-F111 PolarHBondContact O-N 2.92Å; S108-L112 VanDerWaalsContact O-CB 3.27Å; S108-L112 WeakPolarHBondContact O-CB 3.42Å; S108-L112 WeakPolarHBondContact O-CG 3.4Å; S108-L112 PolarHBondContact O-N 2.93Å
109C95.9Very high94.1Very high0 Ų013.1 Ų13.10%07%0.067CC..Hα-helixtrans-54.6-51.4173.4-73.60000112.2M105 Y106 G107 M113 G199 P203 F243 F247M105-C109 PolarHBondContact O-N 3.23Å; M105-C109 VanDerWaalsContact O-N 3.14Å; M105-C109 PolarHBondContact O-SG 3.46Å; Y106-C109 PolarHBondContact O-N 3.14Å; G107-C109 PolarHBondContact O-N 3.45Å; C109-M113 WeakPolarHBondContact O-CB 3.38Å; C109-M113 PolarHBondContact O-N 2.92Å; C109-G199 WeakPolarHBondContact CB-O 3.49Å; C109-P203 HydrophobicContact CB-CB 4.15Å; C109-P203 HydrophobicContact CB-CG 4.36Å; C109-F243 HydrophobicContact CB-CE2 3.94Å; C109-F243 HydrophobicContact CB-CZ 3.72Å; C109-F247 WeakPolarHBondContact SG-CD1 3.4Å; C109-F247 VanDerWaalsContact SG-CG 3.52Å
110I97.1Very high94.1Very high15 Ų1513.9 Ų13.98%0.0777%0.068CC..Hα-helixtrans-71.5-40.2-176.1-62165.9000111.1Y106 G107 S108 M113 L114 V145 F148 P203Y106-I110 VanDerWaalsContact O-CG1 3.25Å; Y106-I110 WeakPolarHBondContact O-CG1 3.47Å; Y106-I110 PolarHBondContact O-N 2.85Å; G107-I110 PolarHBondContact O-N 2.94Å; S108-I110 PolarHBondContact O-N 2.83Å; I110-M113 HydrophobicContact CG2-CE 3.97Å; I110-M113 WeakPolarHBondContact O-CB 3.21Å; I110-M113 PolarHBondContact O-N 3.26Å; I110-L114 HydrophobicContact CG2-CD1 4.25Å; I110-L114 HydrophobicContact CG2-CG 4.41Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 2.91Å; I110-V145 HydrophobicContact CB-CG1 4.1Å; I110-V145 HydrophobicContact CB-CG2 4.39Å; I110-V145 HydrophobicContact CD1-CG1 4.28Å; I110-V145 HydrophobicContact CG2-CB 4.4Å; I110-V145 HydrophobicContact CG2-CG1 4.03Å; I110-V145 HydrophobicContact CG2-CG2 3.44Å; I110-V145 VanDerWaalsContact CG2-CG2 3.44Å; I110-F148 HydrophobicContact CD1-CD1 3.62Å; I110-F148 HydrophobicContact CD1-CE1 3.62Å; I110-P203 HydrophobicContact CG1-CG 3.9Å
111F96.6Very high93.9Very high0 Ų012.2 Ų12.20%06%0.06CC..Hα-helixtrans-66-41.4176.9-70-50.9000112.2N63 L64 G107 S108 M113 L114 I115 C142 V145N63-F111 HydrophobicContact CB-CD1 4.09Å; N63-F111 HydrophobicContact CB-CD2 4.35Å; N63-F111 HydrophobicContact CB-CE1 3.53Å; N63-F111 HydrophobicContact CB-CE2 3.83Å; N63-F111 HydrophobicContact CB-CZ 3.41Å; N63-F111 VanDerWaalsContact CB-CZ 3.41Å; L64-F111 HydrophobicContact CB-CB 4.15Å; L64-F111 HydrophobicContact CB-CD2 4.45Å; L64-F111 HydrophobicContact CD1-CB 4.12Å; L64-F111 HydrophobicContact CD1-CD2 4.5Å; G107-F111 WeakPolarHBondContact O-CB 3.13Å; G107-F111 WeakPolarHBondContact O-CD2 3.02Å; G107-F111 WeakPolarHBondContact O-CG 3.29Å; G107-F111 PolarHBondContact O-N 2.78Å; S108-F111 PolarHBondContact O-N 2.92Å; F111-M113 VanDerWaalsContact C-N 3.33Å; F111-M113 PolarHBondContact O-N 3.31Å; F111-L114 HydrophobicContact CD1-CD1 4.27Å; F111-L114 PolarHBondContact O-N 3.33Å; F111-I115 VanDerWaalsContact O-CG1 3.28Å; F111-I115 WeakPolarHBondContact O-CG1 3.3Å; F111-I115 PolarHBondContact O-N 3.45Å; F111-C142 HydrophobicContact CE1-CB 4.14Å; F111-V145 HydrophobicContact CE1-CB 3.96Å; F111-V145 HydrophobicContact CE1-CG1 3.93Å; F111-V145 HydrophobicContact CE1-CG2 4.15Å; F111-V145 HydrophobicContact CE2-CG1 4.03Å; F111-V145 HydrophobicContact CZ-CB 3.93Å; F111-V145 HydrophobicContact CZ-CG1 3.61Å
112L94.6Very high93.8Very high0 Ų013.2 Ų13.20%07%0.07CC..Hα-helixtrans-61.4-42.1172.7-71.1173.5000111.1L64 S108 I115 N116 N239 I242 F243 F247 V296L64-L112 HydrophobicContact CD2-CD2 3.92Å; L64-L112 HydrophobicContact CD2-CG 4.38Å; S108-L112 VanDerWaalsContact O-CB 3.27Å; S108-L112 WeakPolarHBondContact O-CB 3.42Å; S108-L112 WeakPolarHBondContact O-CG 3.4Å; S108-L112 PolarHBondContact O-N 2.93Å; L112-I115 PolarHBondContact O-N 3.13Å; L112-N116 PolarHBondContact O-N 3.47Å; L112-N116 PolarHBondContact O-ND2 3.21Å; L112-N239 HydrophobicContact CD2-CB 4.45Å; L112-I242 HydrophobicContact CD1-CG2 4.1Å; L112-F243 HydrophobicContact CB-CD2 4.42Å; L112-F243 HydrophobicContact CD1-CD2 4.41Å; L112-F247 HydrophobicContact CD1-CE2 3.89Å; L112-F247 HydrophobicContact CD1-CZ 4.42Å; L112-V296 HydrophobicContact CD2-CG1 4.49Å; L112-V296 HydrophobicContact CD2-CG2 4.25Å
113M95.9Very high93.5Very high24 Ų2414.8 Ų14.812%0.1188%0.078CC..Hα-helixtrans-57.4-50.2172.1176.3-163.370.700111.5C109 I110 F111 I115 N116 V117 P203 A206 V207C109-M113 WeakPolarHBondContact O-CB 3.38Å; C109-M113 PolarHBondContact O-N 2.92Å; I110-M113 HydrophobicContact CG2-CE 3.97Å; I110-M113 WeakPolarHBondContact O-CB 3.21Å; I110-M113 PolarHBondContact O-N 3.26Å; F111-M113 VanDerWaalsContact C-N 3.33Å; F111-M113 PolarHBondContact O-N 3.31Å; M113-I115 VanDerWaalsContact C-N 3.29Å; M113-I115 PolarHBondContact O-N 3.28Å; M113-N116 PolarHBondContact O-N 3.48Å; M113-N116 VanDerWaalsContact O-N 3.13Å; M113-V117 HydrophobicContact CG-CG2 4.16Å; M113-V117 WeakPolarHBondContact O-CB 3.01Å; M113-V117 WeakPolarHBondContact O-CG2 3.19Å; M113-V117 PolarHBondContact O-N 2.93Å; M113-P203 HydrophobicContact CB-CB 4.05Å; M113-P203 HydrophobicContact SD-CB 4.28Å; M113-P203 HydrophobicContact SD-CG 4.2Å; M113-A206 HydrophobicContact CG-CB 3.6Å; M113-A206 HydrophobicContact SD-CB 3.72Å; M113-V207 HydrophobicContact CB-CG2 4.08Å
114L96.1Very high93.2Very high20 Ų2014.9 Ų14.911%0.1058%0.08CC..Hα-helixtrans-60.3-38-179.7-70.9173.4000112.3Y60 I110 F111 D118 L141 V145Y60-L114 HydrophobicContact CD1-CB 4.04Å; Y60-L114 HydrophobicContact CD1-CD1 3.98Å; Y60-L114 HydrophobicContact CD2-CB 3.99Å; Y60-L114 HydrophobicContact CE1-CB 4.03Å; Y60-L114 HydrophobicContact CE1-CD1 3.81Å; Y60-L114 HydrophobicContact CE1-CG 4.39Å; Y60-L114 HydrophobicContact CE2-CB 3.93Å; Y60-L114 HydrophobicContact CG-CB 4.07Å; I110-L114 HydrophobicContact CG2-CD1 4.25Å; I110-L114 HydrophobicContact CG2-CG 4.41Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 2.91Å; F111-L114 HydrophobicContact CD1-CD1 4.27Å; F111-L114 PolarHBondContact O-N 3.33Å; L114-D118 PolarHBondContact O-N 3.13Å; L114-L141 HydrophobicContact CD1-CB 4.47Å; L114-L141 HydrophobicContact CD2-CD1 4.23Å; L114-V145 HydrophobicContact CD1-CG2 3.96Å
115I93.3Very high92.8Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-63.1-47.4173.9-67.3163.3000110.8V57 Y60 M61 L64 F111 L112 M113 D118 R119 L235 V296V57-I115 HydrophobicContact CG1-CG2 4.39Å; Y60-I115 HydrophobicContact CD2-CG1 4.25Å; Y60-I115 HydrophobicContact CG-CG1 4.4Å; M61-I115 HydrophobicContact CE-CD1 4.31Å; M61-I115 HydrophobicContact CE-CG2 4.41Å; M61-I115 HydrophobicContact CG-CD1 4.01Å; L64-I115 HydrophobicContact CD2-CD1 4.33Å; F111-I115 VanDerWaalsContact O-CG1 3.28Å; F111-I115 WeakPolarHBondContact O-CG1 3.3Å; F111-I115 PolarHBondContact O-N 3.45Å; L112-I115 PolarHBondContact O-N 3.13Å; M113-I115 VanDerWaalsContact C-N 3.29Å; M113-I115 PolarHBondContact O-N 3.28Å; I115-D118 PolarHBondContact O-N 3.43Å; I115-R119 WeakPolarHBondContact O-CG 3.41Å; I115-R119 PolarHBondContact O-N 3.42Å; I115-L235 HydrophobicContact CG2-CD2 4.39Å; I115-V296 HydrophobicContact CD1-CG1 4.45Å
116N92.6Very high92.3Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-63-44.5178.2-80.2-82.9000111.9L112 M113 R119 Y120 V207 S211 L236 N239L112-N116 PolarHBondContact O-N 3.47Å; L112-N116 PolarHBondContact O-ND2 3.21Å; M113-N116 PolarHBondContact O-N 3.48Å; M113-N116 VanDerWaalsContact O-N 3.13Å; N116-R119 PolarHBondContact O-N 2.61Å; N116-Y120 PolarHBondContact O-N 3.08Å; N116-V207 HydrophobicContact CB-CG2 4.27Å; N116-S211 PolarHBondContact OD1-OG 3.15Å; N116-L236 HydrophobicContact CB-CD2 4.15Å; N116-L236 WeakPolarHBondContact OD1-CD2 3.45Å; N116-N239 WeakPolarHBondContact ND2-CB 3.29Å; N116-N239 PolarHBondContact ND2-ND2 3.12Å
117V93.7Very high92Very high56 Ų5627.6 Ų27.634%0.33915%0.149SC..Hα-helixtrans-65.7-39.7179.31720000111.5M113 R119 Y120 A121 A206M113-V117 HydrophobicContact CG-CG2 4.16Å; M113-V117 WeakPolarHBondContact O-CB 3.01Å; M113-V117 WeakPolarHBondContact O-CG2 3.19Å; M113-V117 PolarHBondContact O-N 2.93Å; V117-R119 VanDerWaalsContact C-N 3.3Å; V117-R119 PolarHBondContact O-N 3.48Å; V117-Y120 PolarHBondContact O-N 3.35Å; V117-A121 VanDerWaalsContact O-CB 3.32Å; V117-A121 WeakPolarHBondContact O-CB 3.4Å; V117-A121 PolarHBondContact O-N 3.45Å; V117-A206 HydrophobicContact CG2-CB 4.46Å
118D92.3Very high91.5Very high9 Ų937 Ų375%0.04819%0.185CC..Hα-helixtrans-60.9-40.9173.3177.274.3000111.6V56 V57 Y60 L114 I115 A121 A122 R133V56-D118 HydrophobicContact CG1-CB 4.33Å; V57-D118 HydrophobicContact CG2-CB 4.04Å; V57-D118 WeakPolarHBondContact CG2-OD2 3.27Å; Y60-D118 HydrophobicContact CE2-CB 4.33Å; L114-D118 PolarHBondContact O-N 3.13Å; I115-D118 PolarHBondContact O-N 3.43Å; D118-A121 PolarHBondContact O-N 2.78Å; D118-A122 VanDerWaalsContact O-CB 3.3Å; D118-A122 WeakPolarHBondContact O-CB 3.4Å; D118-A122 PolarHBondContact O-N 3.03Å; D118-R133 WeakPolarHBondContact OD1-CG 3.08Å; D118-R133 IonicContact OD1-CZ 3.72Å; D118-R133 IonicContact OD1-NE 2.85Å; D118-R133 PolarHBondContact OD1-NE 3.22Å; D118-R133 IonicContact OD1-NH2 3.66Å; D118-R133 IonicContact OD2-NE 3.91Å; D118-R133 IonicContact OD2-NH2 3.55Å
119R90.7Very high91Very high43 Ų4338.9 Ų38.916%0.16219%0.194CC..Hα-helixtrans-67-42.8178-70.1-73.2142.8-91.8-3.2111.7I115 N116 V117 A122 I123 T232 L235 L236I115-R119 WeakPolarHBondContact O-CG 3.41Å; I115-R119 PolarHBondContact O-N 3.42Å; N116-R119 PolarHBondContact O-N 2.61Å; V117-R119 VanDerWaalsContact C-N 3.3Å; V117-R119 PolarHBondContact O-N 3.48Å; R119-A122 PolarHBondContact O-N 3.18Å; R119-I123 WeakPolarHBondContact O-CG1 3.38Å; R119-I123 PolarHBondContact O-N 3.14Å; R119-I123 VanDerWaalsContact O-N 3.13Å; R119-T232 HydrophobicContact CB-CG2 4.28Å; R119-T232 HydrophobicContact CG-CG2 4.36Å; R119-L235 HydrophobicContact CG-CD2 4.06Å; R119-L236 HydrophobicContact CB-CD2 3.83Å; R119-L236 HydrophobicContact CG-CD2 4.3Å
120Y90.9Very high90.5Very high28 Ų2847.8 Ų47.811%0.1123%0.228CC..Hα-helixtrans-59-49.3172.1163.2-99.5000111.9N116 V117 A122 I123 V124 H125 R213 V214N116-Y120 PolarHBondContact O-N 3.08Å; V117-Y120 PolarHBondContact O-N 3.35Å; Y120-A122 VanDerWaalsContact C-N 3.27Å; Y120-A122 PolarHBondContact O-N 3.07Å; Y120-I123 PolarHBondContact O-N 3.36Å; Y120-I123 VanDerWaalsContact O-N 3.16Å; Y120-V124 HydrophobicContact CD2-CB 3.93Å; Y120-V124 HydrophobicContact CD2-CG2 3.54Å; Y120-V124 HydrophobicContact CE2-CB 3.68Å; Y120-V124 HydrophobicContact CE2-CG1 3.84Å; Y120-V124 HydrophobicContact CE2-CG2 3.64Å; Y120-V124 HydrophobicContact CG-CG2 4.5Å; Y120-V124 WeakPolarHBondContact O-CB 3.43Å; Y120-V124 PolarHBondContact O-N 3.06Å; Y120-H125 AromaticContact CZ-CD2 3.74Å; Y120-H125 AromaticContact CZ-NE2 3.95Å; Y120-H125 PolarHBondContact OH-CD2 3.33Å; Y120-H125 PolarHBondContact OH-NE2 2.88Å; Y120-H125 VanDerWaalsContact OH-NE2 3.14Å; Y120-R213 HydrophobicContact CD2-CB 4.05Å; Y120-R213 HydrophobicContact CE2-CB 3.77Å; Y120-R213 HydrophobicContact CE2-CG 4.29Å; Y120-V214 HydrophobicContact CD2-CG2 4.16Å
121A90.8Very high90.1Very high6 Ų652.1 Ų52.15%0.0525%0.248CC..Hα-helixtrans-60.4-38.117800000112.1V117 D118 I123 H125 L129 R133V117-A121 VanDerWaalsContact O-CB 3.32Å; V117-A121 WeakPolarHBondContact O-CB 3.4Å; V117-A121 PolarHBondContact O-N 3.45Å; D118-A121 PolarHBondContact O-N 2.78Å; A121-I123 VanDerWaalsContact C-N 3.35Å; A121-I123 PolarHBondContact O-N 3.35Å; A121-H125 CarbonylContact O-C 3.59Å; A121-H125 PolarHBondContact O-N 3.19Å; A121-L129 HydrophobicContact CB-CB 3.93Å; A121-L129 HydrophobicContact CB-CD1 3.53Å; A121-L129 HydrophobicContact CB-CG 4.38Å; A121-R133 HydrophobicContact CB-CG 4.46Å
122A88.4Confident89.6Confident25 Ų2556.2 Ų56.221%0.20727%0.269CS..Hα-helixtrans-66.4-32.5177.500000114D118 R119 Y120D118-A122 VanDerWaalsContact O-CB 3.3Å; D118-A122 WeakPolarHBondContact O-CB 3.4Å; D118-A122 PolarHBondContact O-N 3.03Å; R119-A122 PolarHBondContact O-N 3.18Å; Y120-A122 VanDerWaalsContact C-N 3.27Å; Y120-A122 PolarHBondContact O-N 3.07Å
123I85.9Confident89.4Confident49 Ų4960.1 Ų60.125%0.25128%0.284SS..Hα-helixtrans-98.4-47.7-171.6-68.7171.8000111.5R119 Y120 A121 V214 T217 L218 T232R119-I123 WeakPolarHBondContact O-CG1 3.38Å; R119-I123 PolarHBondContact O-N 3.14Å; R119-I123 VanDerWaalsContact O-N 3.13Å; Y120-I123 PolarHBondContact O-N 3.36Å; Y120-I123 VanDerWaalsContact O-N 3.16Å; A121-I123 VanDerWaalsContact C-N 3.35Å; A121-I123 PolarHBondContact O-N 3.35Å; I123-V214 HydrophobicContact CD1-CG1 3.85Å; I123-T217 HydrophobicContact CG2-CG2 4.29Å; I123-L218 HydrophobicContact CD1-CD1 4.47Å; I123-L218 HydrophobicContact CG2-CD2 4.05Å; I123-T232 HydrophobicContact CD1-CG2 3.47Å; I123-T232 VanDerWaalsContact CD1-CG2 3.47Å
124V86.8Confident89.2Confident27 Ų2766.4 Ų66.416%0.16431%0.306CS..Hα-helixtrans-89.1-32-170.9-173.20000111.2Y120 V214Y120-V124 HydrophobicContact CD2-CB 3.93Å; Y120-V124 HydrophobicContact CD2-CG2 3.54Å; Y120-V124 HydrophobicContact CE2-CB 3.68Å; Y120-V124 HydrophobicContact CE2-CG1 3.84Å; Y120-V124 HydrophobicContact CE2-CG2 3.64Å; Y120-V124 HydrophobicContact CG-CG2 4.5Å; Y120-V124 WeakPolarHBondContact O-CB 3.43Å; Y120-V124 PolarHBondContact O-N 3.06Å; V124-V214 HydrophobicContact CG2-CG2 4.22Å
125H86.4Confident89Confident58 Ų5867.7 Ų67.727%0.26932%0.316SS..  trans-136.153.7-176.2-61.8-55000113.7Y120 A121 L127 R128 L129Y120-H125 AromaticContact CZ-CD2 3.74Å; Y120-H125 AromaticContact CZ-NE2 3.95Å; Y120-H125 PolarHBondContact OH-CD2 3.33Å; Y120-H125 PolarHBondContact OH-NE2 2.88Å; Y120-H125 VanDerWaalsContact OH-NE2 3.14Å; A121-H125 CarbonylContact O-C 3.59Å; A121-H125 PolarHBondContact O-N 3.19Å; H125-L127 VanDerWaalsContact C-N 3.32Å; H125-L127 PolarHBondContact O-N 3.47Å; H125-R128 HydrophobicContact CB-CB 4.4Å; H125-R128 PolarHBondContact O-N 3.35Å; H125-L129 HydrophobicContact CB-CD1 3.91Å; H125-L129 HydrophobicContact CB-CG 3.99Å; H125-L129 PolarHBondContact O-N 3.22Å
126P84.4Confident88.9Confident70 Ų7076.8 Ų76.846%0.45535%0.35SS..THydrogen-bonded Turntrans-59-35-169.521.5-33.3000114.7
127L86.5Confident89Confident149 Ų14978.9 Ų78.978%0.7836%0.363SS*.THydrogen-bonded Turntrans-86.4-46.9-179.5-61.5176.7000112.1H125 L129 R130H125-L127 VanDerWaalsContact C-N 3.32Å; H125-L127 PolarHBondContact O-N 3.47Å; L127-L129 PolarHBondContact O-N 3.27Å; L127-R130 WeakPolarHBondContact O-CB 3.31Å; L127-R130 PolarHBondContact O-N 3.46Å
128R85.4Confident89.1Confident199 Ų19976.2 Ų76.275%0.75135%0.347SS*.THydrogen-bonded Turntrans-63-38.5-174.9-168.9175.6-177176.81.3112.8H125 H131H125-R128 HydrophobicContact CB-CB 4.4Å; H125-R128 PolarHBondContact O-N 3.35Å; R128-H131 PolarHBondContact O-CE1 3.09Å; R128-H131 PolarHBondContact O-ND1 3.48Å
129L87.5Confident89.2Confident38 Ų3882.8 Ų82.820%0.19937%0.371CS..THydrogen-bonded Turntrans-101.910.5-174.9-58.8-179.3000113.7A121 H125 L127 H131 L132 R133A121-L129 HydrophobicContact CB-CB 3.93Å; A121-L129 HydrophobicContact CB-CD1 3.53Å; A121-L129 HydrophobicContact CB-CG 4.38Å; H125-L129 HydrophobicContact CB-CD1 3.91Å; H125-L129 HydrophobicContact CB-CG 3.99Å; H125-L129 PolarHBondContact O-N 3.22Å; L127-L129 PolarHBondContact O-N 3.27Å; L129-H131 PolarHBondContact O-N 3.36Å; L129-L132 HydrophobicContact CD2-CD1 4Å; L129-L132 PolarHBondContact O-N 2.85Å; L129-L132 VanDerWaalsContact O-N 3.17Å; L129-R133 WeakPolarHBondContact O-CG 3.21Å; L129-R133 PolarHBondContact O-N 3.33Å
130R84.8Confident89.5Confident187 Ų18786.6 Ų86.671%0.70639%0.394SS*.THydrogen-bonded Turntrans-57.5-34.9-178-174177.9175.7-172-0.9113.2L127 R133L127-R130 WeakPolarHBondContact O-CB 3.31Å; L127-R130 PolarHBondContact O-N 3.46Å; R130-R133 PolarHBondContact O-N 2.8Å
131H87.5Confident89.8Confident106 Ų10688.8 Ų88.849%0.49141%0.407SS..THydrogen-bonded Turntrans-68.9-32.2-178.867-82.8000113.1R128 L129 R133 R134R128-H131 PolarHBondContact O-CE1 3.09Å; R128-H131 PolarHBondContact O-ND1 3.48Å; L129-H131 PolarHBondContact O-N 3.36Å; H131-R133 VanDerWaalsContact C-N 3.33Å; H131-R134 WeakPolarHBondContact O-CD 3.1Å; H131-R134 WeakPolarHBondContact O-CG 3.33Å
132L86.3Confident90.1Very high86 Ų8688.6 Ų88.645%0.4541%0.406SS..THydrogen-bonded Turntrans-74.9-24.5176-60.2179.5000112.4L129 R134L129-L132 HydrophobicContact CD2-CD1 4Å; L129-L132 PolarHBondContact O-N 2.85Å; L129-L132 VanDerWaalsContact O-N 3.17Å; L132-R134 PolarHBondContact O-N 2.62Å
133R91.5Very high90.5Very high83 Ų8393.1 Ų93.131%0.31343%0.425SS..  trans-85.945.4-177.6-61.4-177.265.6-131.4-7.4112.6V56 D118 A121 L129 R130 H131V56-R133 WeakPolarHBondContact CG2-O 3.34Å; D118-R133 WeakPolarHBondContact OD1-CG 3.08Å; D118-R133 IonicContact OD1-CZ 3.72Å; D118-R133 IonicContact OD1-NE 2.85Å; D118-R133 PolarHBondContact OD1-NE 3.22Å; D118-R133 IonicContact OD1-NH2 3.66Å; D118-R133 IonicContact OD2-NE 3.91Å; D118-R133 IonicContact OD2-NH2 3.55Å; A121-R133 HydrophobicContact CB-CG 4.46Å; L129-R133 WeakPolarHBondContact O-CG 3.21Å; L129-R133 PolarHBondContact O-N 3.33Å; R130-R133 PolarHBondContact O-N 2.8Å; H131-R133 VanDerWaalsContact C-N 3.33Å
134R91.8Very high91.1Very high155 Ų15592.7 Ų92.759%0.58543%0.434SS*.SBendtrans-108.5138.4176.3-66.5178.8-179.1-166.52110.3H131 L132 R136 V137 A138H131-R134 WeakPolarHBondContact O-CD 3.1Å; H131-R134 WeakPolarHBondContact O-CG 3.33Å; L132-R134 PolarHBondContact O-N 2.62Å; R134-R136 PolarHBondContact O-N 3.4Å; R134-R136 VanDerWaalsContact O-N 3.09Å; R134-V137 HydrophobicContact CB-CG2 4.17Å; R134-V137 WeakPolarHBondContact O-CB 3.34Å; R134-V137 PolarHBondContact O-N 2.77Å; R134-A138 PolarHBondContact O-N 3.18Å
135P90.6Very high91.6Very high47 Ų4792 Ų9231%0.30543%0.429SS..Hα-helixtrans-57.8-27.1178.1-26.934.6000114.4H54 V56 R139H54-P135 VanDerWaalsContact O-CG 3.29Å; H54-P135 WeakPolarHBondContact O-CG 3.16Å; V56-P135 HydrophobicContact CG2-CG 4.46Å; P135-R139 WeakPolarHBondContact O-CG 3.28Å; P135-R139 PolarHBondContact O-N 3.43Å; P135-R139 VanDerWaalsContact O-N 3.07Å; P135-R139 PolarHBondContact O-NE 3.28Å
136R92.3Very high92.2Very high192 Ų19291.5 Ų91.573%0.72543%0.425SS*.Hα-helixtrans-63.5-46.7172.2-69.3-177.1-175.81751.2111.6R134 R139 L140R134-R136 PolarHBondContact O-N 3.4Å; R134-R136 VanDerWaalsContact O-N 3.09Å; R136-R139 PolarHBondContact O-N 2.87Å; R136-L140 WeakPolarHBondContact O-CG 3.43Å; R136-L140 PolarHBondContact O-N 3.12Å; R136-L140 VanDerWaalsContact O-N 3.14Å
137V95.1Very high92.7Very high43 Ų4390.7 Ų90.726%0.26142%0.424SS..Hα-helixtrans-64.2-44177178.70000110.2R134 R139 L140 L141R134-V137 HydrophobicContact CB-CG2 4.17Å; R134-V137 WeakPolarHBondContact O-CB 3.34Å; R134-V137 PolarHBondContact O-N 2.77Å; V137-R139 VanDerWaalsContact C-N 3.3Å; V137-R139 PolarHBondContact O-N 3.06Å; V137-L140 PolarHBondContact O-N 2.91Å; V137-L140 VanDerWaalsContact O-N 3.17Å; V137-L141 HydrophobicContact CG1-CD1 4.07Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CG 3.42Å; V137-L141 PolarHBondContact O-N 3.26Å
138A95Very high93.1Very high0 Ų085.5 Ų85.50%040%0.395CS..Hα-helixtrans-57.3-41.7177.100000112.7V56 V59 Y60 R134 L141 C142V56-A138 HydrophobicContact CB-CB 4.38Å; V56-A138 HydrophobicContact CG1-CB 3.95Å; V56-A138 HydrophobicContact CG2-CB 4.4Å; V59-A138 HydrophobicContact CB-CB 4.03Å; V59-A138 HydrophobicContact CG1-CB 4.06Å; V59-A138 HydrophobicContact CG2-CB 4.27Å; Y60-A138 HydrophobicContact CE1-CB 3.8Å; R134-A138 PolarHBondContact O-N 3.18Å; A138-L141 PolarHBondContact O-N 3.39Å; A138-C142 PolarHBondContact O-N 3.01Å; A138-C142 PolarHBondContact O-SG 3.44Å
139R95.3Very high93.5Very high147 Ų14776 Ų7656%0.55536%0.359SS*.Hα-helixtrans-65.3-42.7176.2-76.7-176.8-73.6167.8-7.4112.6V59 P135 R136 V137 L141 C142 L143V59-R139 HydrophobicContact CG1-CG 3.88Å; V59-R139 HydrophobicContact CG2-CG 4.36Å; P135-R139 WeakPolarHBondContact O-CG 3.28Å; P135-R139 PolarHBondContact O-N 3.43Å; P135-R139 VanDerWaalsContact O-N 3.07Å; P135-R139 PolarHBondContact O-NE 3.28Å; R136-R139 PolarHBondContact O-N 2.87Å; V137-R139 VanDerWaalsContact C-N 3.3Å; V137-R139 PolarHBondContact O-N 3.06Å; R139-L141 VanDerWaalsContact C-N 3.34Å; R139-C142 PolarHBondContact O-N 3.17Å; R139-L143 PolarHBondContact O-N 3.46Å
140L96.5Very high93.8Very high123 Ų12378.7 Ų78.764%0.64437%0.373SS*.Hα-helixtrans-62.8-42.4175.4-69.3172.1000111.5R136 V137 L143 G144R136-L140 WeakPolarHBondContact O-CG 3.43Å; R136-L140 PolarHBondContact O-N 3.12Å; R136-L140 VanDerWaalsContact O-N 3.14Å; V137-L140 PolarHBondContact O-N 2.91Å; V137-L140 VanDerWaalsContact O-N 3.17Å; L140-L143 PolarHBondContact O-N 3.38Å; L140-G144 PolarHBondContact O-N 3.39Å
141L96.9Very high94Very high74 Ų7474.2 Ų74.239%0.38737%0.367SS..Hα-helixtrans-60.7-47.2174.3-70.3172.9000110.9Y60 L114 V137 A138 R139 L143 G144 V145Y60-L141 HydrophobicContact CE1-CB 4.47Å; Y60-L141 WeakPolarHBondContact OH-CD1 3.35Å; L114-L141 HydrophobicContact CD1-CB 4.47Å; L114-L141 HydrophobicContact CD2-CD1 4.23Å; V137-L141 HydrophobicContact CG1-CD1 4.07Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CG 3.42Å; V137-L141 PolarHBondContact O-N 3.26Å; A138-L141 PolarHBondContact O-N 3.39Å; R139-L141 VanDerWaalsContact C-N 3.34Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-L143 PolarHBondContact O-N 2.88Å; L141-G144 CarbonylContact O-C 3.44Å; L141-G144 WeakPolarHBondContact O-CA 3.36Å; L141-G144 PolarHBondContact O-N 3.48Å; L141-G144 VanDerWaalsContact O-N 3.09Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 3.03Å
142C97.4Very high93.9Very high3 Ų370.3 Ų70.32%0.0235%0.348CS..Hα-helixtrans-59.5-42.5177-65.60000112.4Y60 N63 F111 A138 R139 G144 V145 W146Y60-C142 VanDerWaalsContact CD1-SG 3.53Å; N63-C142 PolarHBondContact ND2-SG 3.24Å; N63-C142 VanDerWaalsContact ND2-SG 3.4Å; F111-C142 HydrophobicContact CE1-CB 4.14Å; A138-C142 PolarHBondContact O-N 3.01Å; A138-C142 PolarHBondContact O-SG 3.44Å; R139-C142 PolarHBondContact O-N 3.17Å; C142-G144 VanDerWaalsContact C-N 3.29Å; C142-G144 PolarHBondContact O-N 3.38Å; C142-V145 WeakPolarHBondContact O-CB 3.36Å; C142-V145 PolarHBondContact O-N 3.18Å; C142-V145 VanDerWaalsContact O-N 3.16Å; C142-W146 PolarHBondContact O-N 3.47Å
143L97.6Very high93.7Very high119 Ų11966.5 Ų66.562%0.62333%0.329SS*.Hα-helixtrans-59.6-42.7174.9-17765.6000111.2R139 L140 L141 W146 A147R139-L143 PolarHBondContact O-N 3.46Å; L140-L143 PolarHBondContact O-N 3.38Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-L143 PolarHBondContact O-N 2.88Å; L143-W146 PolarHBondContact O-N 3.41Å; L143-A147 WeakPolarHBondContact O-CB 3.23Å; L143-A147 PolarHBondContact O-N 2.93Å
144G97.6Very high93Very high41 Ų4166.3 Ų66.342%0.42334%0.337SS..Hα-helixtrans-60.9-41.5173.200000113L140 L141 C142 A147 F148L140-G144 PolarHBondContact O-N 3.39Å; L141-G144 CarbonylContact O-C 3.44Å; L141-G144 WeakPolarHBondContact O-CA 3.36Å; L141-G144 PolarHBondContact O-N 3.48Å; L141-G144 VanDerWaalsContact O-N 3.09Å; C142-G144 VanDerWaalsContact C-N 3.29Å; C142-G144 PolarHBondContact O-N 3.38Å; G144-A147 PolarHBondContact O-N 3.23Å; G144-F148 VanDerWaalsContact O-CB 3.28Å; G144-F148 WeakPolarHBondContact O-CB 3.16Å; G144-F148 PolarHBondContact O-N 3.36Å
145V97.9Very high92.1Very high11 Ų1159.6 Ų59.67%0.06731%0.314CS..Hα-helixtrans-61.6-47.3174.6179.10000110.9I110 F111 L114 L141 C142 A147 F148 I149I110-V145 HydrophobicContact CB-CG1 4.1Å; I110-V145 HydrophobicContact CB-CG2 4.39Å; I110-V145 HydrophobicContact CD1-CG1 4.28Å; I110-V145 HydrophobicContact CG2-CB 4.4Å; I110-V145 HydrophobicContact CG2-CG1 4.03Å; I110-V145 HydrophobicContact CG2-CG2 3.44Å; I110-V145 VanDerWaalsContact CG2-CG2 3.44Å; F111-V145 HydrophobicContact CE1-CB 3.96Å; F111-V145 HydrophobicContact CE1-CG1 3.93Å; F111-V145 HydrophobicContact CE1-CG2 4.15Å; F111-V145 HydrophobicContact CE2-CG1 4.03Å; F111-V145 HydrophobicContact CZ-CB 3.93Å; F111-V145 HydrophobicContact CZ-CG1 3.61Å; L114-V145 HydrophobicContact CD1-CG2 3.96Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 3.03Å; C142-V145 WeakPolarHBondContact O-CB 3.36Å; C142-V145 PolarHBondContact O-N 3.18Å; C142-V145 VanDerWaalsContact O-N 3.16Å; V145-A147 PolarHBondContact O-N 3.49Å; V145-F148 WeakPolarHBondContact O-CB 3.49Å; V145-F148 PolarHBondContact O-N 2.93Å; V145-I149 HydrophobicContact CG1-CG2 4.35Å; V145-I149 WeakPolarHBondContact O-CG1 3.44Å; V145-I149 PolarHBondContact O-N 3.14Å
146W97.7Very high91.1Very high49 Ų4958 Ų5819%0.18630%0.304CS..Hα-helixtrans-60.3-45177.3-79.7108.3000112.2N63 A66 L70 M103 C142 L143 I149 L150N63-W146 PolarHBondContact OD1-NE1 3.38Å; A66-W146 HydrophobicContact CB-CZ2 4.37Å; L70-W146 HydrophobicContact CD1-CH2 3.6Å; L70-W146 HydrophobicContact CD1-CZ3 3.8Å; M103-W146 HydrophobicContact CE-CE3 4.05Å; M103-W146 HydrophobicContact CE-CZ3 3.84Å; C142-W146 PolarHBondContact O-N 3.47Å; L143-W146 PolarHBondContact O-N 3.41Å; W146-I149 HydrophobicContact CD2-CD1 4.2Å; W146-I149 HydrophobicContact CE3-CD1 3.66Å; W146-I149 HydrophobicContact CE3-CG1 4.29Å; W146-I149 HydrophobicContact CZ3-CD1 3.91Å; W146-I149 WeakPolarHBondContact O-CG1 3.39Å; W146-L150 VanDerWaalsContact O-CB 3.31Å; W146-L150 WeakPolarHBondContact O-CB 3.28Å; W146-L150 WeakPolarHBondContact O-CD1 3.49Å; W146-L150 WeakPolarHBondContact O-CG 3.28Å; W146-L150 PolarHBondContact O-N 3.19Å
147A96.1Very high90.2Very high52 Ų5249.8 Ų49.843%0.4328%0.277SS..Hα-helixtrans-61-45.5175.600000111.5L143 G144 V145 L150 V151L143-A147 WeakPolarHBondContact O-CB 3.23Å; L143-A147 PolarHBondContact O-N 2.93Å; G144-A147 PolarHBondContact O-N 3.23Å; V145-A147 PolarHBondContact O-N 3.49Å; A147-L150 PolarHBondContact O-N 2.89Å; A147-V151 VanDerWaalsContact O-CG2 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.38Å; A147-V151 PolarHBondContact O-N 3.47Å
148F94.1Very high88.9Confident40 Ų4054.6 Ų54.618%0.17529%0.291CS..Hα-helixtrans-57.1-56.9176.3172.4-91.1000111.2I110 G144 V145 L150 V151 F152 L198I110-F148 HydrophobicContact CD1-CD1 3.62Å; I110-F148 HydrophobicContact CD1-CE1 3.62Å; G144-F148 VanDerWaalsContact O-CB 3.28Å; G144-F148 WeakPolarHBondContact O-CB 3.16Å; G144-F148 PolarHBondContact O-N 3.36Å; V145-F148 WeakPolarHBondContact O-CB 3.49Å; V145-F148 PolarHBondContact O-N 2.93Å; F148-L150 VanDerWaalsContact C-N 3.27Å; F148-L150 PolarHBondContact O-N 3.39Å; F148-V151 PolarHBondContact O-N 3.4Å; F148-V151 VanDerWaalsContact O-N 3.17Å; F148-F152 HydrophobicContact CD1-CD2 4.31Å; F148-F152 AromaticContact CD2-CD2 3.58Å; F148-F152 HydrophobicContact CD2-CD2 3.58Å; F148-F152 AromaticContact CD2-CE2 3.4Å; F148-F152 HydrophobicContact CD2-CE2 3.4Å; F148-F152 HydrophobicContact CE1-CD2 4.14Å; F148-F152 AromaticContact CE2-CD2 3.38Å; F148-F152 HydrophobicContact CE2-CD2 3.38Å; F148-F152 AromaticContact CE2-CE2 3.11Å; F148-F152 HydrophobicContact CE2-CE2 3.11Å; F148-F152 HydrophobicContact CE2-CG 4.43Å; F148-F152 AromaticContact CE2-CZ 3.96Å; F148-F152 HydrophobicContact CE2-CZ 3.96Å; F148-F152 HydrophobicContact CG-CD2 4.04Å; F148-F152 HydrophobicContact CG-CE2 4.3Å; F148-F152 AromaticContact CZ-CD2 3.67Å; F148-F152 HydrophobicContact CZ-CD2 3.67Å; F148-F152 AromaticContact CZ-CE2 3.83Å; F148-F152 HydrophobicContact CZ-CE2 3.83Å; F148-F152 HydrophobicContact CZ-CG 4.37Å; F148-F152 VanDerWaalsContact O-CD2 3.27Å; F148-F152 WeakPolarHBondContact O-CD2 3.28Å; F148-F152 PolarHBondContact O-N 3.5Å; F148-L198 HydrophobicContact CE2-CB 3.66Å; F148-L198 HydrophobicContact CE2-CD1 3.82Å; F148-L198 HydrophobicContact CE2-CG 4.42Å; F148-L198 HydrophobicContact CZ-CB 3.61Å
149I94.5Very high87.5Confident1 Ų155.1 Ų55.11%0.00529%0.294CS..Hα-helixtrans-65-31.3-176.666.3-175.3000112.2M103 V145 W146 A153M103-I149 HydrophobicContact CB-CB 4.43Å; M103-I149 HydrophobicContact CB-CD1 4.14Å; M103-I149 HydrophobicContact CB-CG1 4.34Å; M103-I149 HydrophobicContact CE-CD1 4.19Å; M103-I149 HydrophobicContact CE-CG1 4.09Å; M103-I149 HydrophobicContact CG-CB 4.32Å; M103-I149 HydrophobicContact CG-CG1 4.26Å; V145-I149 HydrophobicContact CG1-CG2 4.35Å; V145-I149 WeakPolarHBondContact O-CG1 3.44Å; V145-I149 PolarHBondContact O-N 3.14Å; W146-I149 HydrophobicContact CD2-CD1 4.2Å; W146-I149 HydrophobicContact CE3-CD1 3.66Å; W146-I149 HydrophobicContact CE3-CG1 4.29Å; W146-I149 HydrophobicContact CZ3-CD1 3.91Å; W146-I149 WeakPolarHBondContact O-CG1 3.39Å; I149-A153 WeakPolarHBondContact O-CB 3.45Å; I149-A153 PolarHBondContact O-N 2.91Å
150L92.6Very high86.2Confident93 Ų9349 Ų4949%0.48727%0.272SS..Hα-helixtrans-65-46.5173.6-78.8166.7000112M103 W146 A147 F148 F152 A153M103-L150 HydrophobicContact CE-CD2 3.5Å; M103-L150 VanDerWaalsContact CE-CD2 3.5Å; M103-L150 HydrophobicContact CE-CG 3.86Å; M103-L150 HydrophobicContact SD-CD2 3.99Å; W146-L150 VanDerWaalsContact O-CB 3.31Å; W146-L150 WeakPolarHBondContact O-CB 3.28Å; W146-L150 WeakPolarHBondContact O-CD1 3.49Å; W146-L150 WeakPolarHBondContact O-CG 3.28Å; W146-L150 PolarHBondContact O-N 3.19Å; A147-L150 PolarHBondContact O-N 2.89Å; F148-L150 VanDerWaalsContact C-N 3.27Å; F148-L150 PolarHBondContact O-N 3.39Å; L150-F152 PolarHBondContact O-N 2.88Å; L150-A153 PolarHBondContact O-N 3.3Å
151V89.8Confident85.2Confident94 Ų9450 Ų5057%0.5727%0.267SS*.Hα-helixtrans-61.3-46.6178.9168.90000110.8A147 F148 A153 V154 P155A147-V151 VanDerWaalsContact O-CG2 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.38Å; A147-V151 PolarHBondContact O-N 3.47Å; F148-V151 PolarHBondContact O-N 3.4Å; F148-V151 VanDerWaalsContact O-N 3.17Å; V151-A153 VanDerWaalsContact C-N 3.31Å; V151-A153 PolarHBondContact O-N 3.3Å; V151-V154 PolarHBondContact O-N 2.95Å; V151-P155 WeakPolarHBondContact O-CD 3.42Å
152F85.1Confident84.4Confident24 Ų2447.3 Ų47.311%0.10525%0.254CS..Hα-helixtrans-79.2-11.2-178.7-72.7-80.1000114F148 L150 P155 L191 L194 A195F148-F152 HydrophobicContact CD1-CD2 4.31Å; F148-F152 AromaticContact CD2-CD2 3.58Å; F148-F152 HydrophobicContact CD2-CD2 3.58Å; F148-F152 AromaticContact CD2-CE2 3.4Å; F148-F152 HydrophobicContact CD2-CE2 3.4Å; F148-F152 HydrophobicContact CE1-CD2 4.14Å; F148-F152 AromaticContact CE2-CD2 3.38Å; F148-F152 HydrophobicContact CE2-CD2 3.38Å; F148-F152 AromaticContact CE2-CE2 3.11Å; F148-F152 HydrophobicContact CE2-CE2 3.11Å; F148-F152 HydrophobicContact CE2-CG 4.43Å; F148-F152 AromaticContact CE2-CZ 3.96Å; F148-F152 HydrophobicContact CE2-CZ 3.96Å; F148-F152 HydrophobicContact CG-CD2 4.04Å; F148-F152 HydrophobicContact CG-CE2 4.3Å; F148-F152 AromaticContact CZ-CD2 3.67Å; F148-F152 HydrophobicContact CZ-CD2 3.67Å; F148-F152 AromaticContact CZ-CE2 3.83Å; F148-F152 HydrophobicContact CZ-CE2 3.83Å; F148-F152 HydrophobicContact CZ-CG 4.37Å; F148-F152 VanDerWaalsContact O-CD2 3.27Å; F148-F152 WeakPolarHBondContact O-CD2 3.28Å; F148-F152 PolarHBondContact O-N 3.5Å; L150-F152 PolarHBondContact O-N 2.88Å; F152-P155 WeakPolarHBondContact O-CD 3.49Å; F152-L191 HydrophobicContact CD1-CD1 3.97Å; F152-L191 HydrophobicContact CD1-CG 4.3Å; F152-L191 HydrophobicContact CE1-CD1 3.47Å; F152-L191 VanDerWaalsContact CE1-CD1 3.47Å; F152-L191 HydrophobicContact CE1-CG 4.18Å; F152-L191 HydrophobicContact CZ-CD1 4.29Å; F152-L194 HydrophobicContact CE1-CB 4.35Å; F152-L194 HydrophobicContact CE1-CD2 4.19Å; F152-L194 HydrophobicContact CE1-CG 4.22Å; F152-L194 HydrophobicContact CZ-CD2 3.88Å; F152-L194 HydrophobicContact CZ-CG 4.05Å; F152-A195 HydrophobicContact CB-CB 4.34Å; F152-A195 HydrophobicContact CD1-CB 3.52Å; F152-A195 HydrophobicContact CE1-CB 4.04Å; F152-A195 HydrophobicContact CG-CB 4.12Å
153A83.3Confident83.8Confident6 Ų649 Ų495%0.0527%0.265CS..Hα-helixtrans-75.9-21.9170.600000113.2A99 M103 I149 L150 V151 A156 A157A99-A153 HydrophobicContact CB-CB 4.13Å; M103-A153 HydrophobicContact CG-CB 3.65Å; M103-A153 HydrophobicContact SD-CB 4.16Å; I149-A153 WeakPolarHBondContact O-CB 3.45Å; I149-A153 PolarHBondContact O-N 2.91Å; L150-A153 PolarHBondContact O-N 3.3Å; V151-A153 VanDerWaalsContact C-N 3.31Å; V151-A153 PolarHBondContact O-N 3.3Å; A153-A156 WeakPolarHBondContact O-CB 3.44Å; A153-A156 PolarHBondContact O-N 3.4Å; A153-A157 WeakPolarHBondContact O-CB 3.37Å; A153-A157 PolarHBondContact O-N 3.33Å
154V75.8Confident83.3Confident78 Ų7850.7 Ų50.747%0.47326%0.264SS..Hα-helixtrans-62.7-46.9-179.6174.90000112.7V151 A156 A157 R158V151-V154 PolarHBondContact O-N 2.95Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 2.87Å; V154-A157 WeakPolarHBondContact O-CB 3.17Å; V154-A157 PolarHBondContact O-N 3.5Å; V154-R158 VanDerWaalsContact O-CG 3.31Å; V154-R158 WeakPolarHBondContact O-CG 3.3Å; V154-R158 PolarHBondContact O-N 2.86Å; V154-R158 VanDerWaalsContact O-N 3.11Å
155P73.1Confident82.8Confident15 Ų1549.1 Ų49.110%0.09725%0.246CC..Hα-helixtrans-58.5-42.7171.5-24.433.8000112.5V151 F152 A157 R158 V159 L191V151-P155 WeakPolarHBondContact O-CD 3.42Å; F152-P155 WeakPolarHBondContact O-CD 3.49Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-A157 PolarHBondContact O-N 3.42Å; P155-R158 WeakPolarHBondContact O-CB 3.4Å; P155-R158 PolarHBondContact O-N 3.19Å; P155-V159 WeakPolarHBondContact O-CG2 3.43Å; P155-V159 PolarHBondContact O-N 2.95Å; P155-V159 VanDerWaalsContact O-N 3.14Å; P155-L191 HydrophobicContact CB-CD2 4.22Å; P155-L191 HydrophobicContact CG-CD2 3.23Å; P155-L191 HydrophobicContact CG-CG 4.05Å
156A68.6Low82.3Confident12 Ų1254.4 Ų54.410%0.09927%0.265CS..Hα-helixtrans-61.5-42.4177.800000111.7Q102 A153 V154 R158 V159 H160Q102-A156 HydrophobicContact CB-CB 4.11Å; Q102-A156 HydrophobicContact CG-CB 3.98Å; A153-A156 WeakPolarHBondContact O-CB 3.44Å; A153-A156 PolarHBondContact O-N 3.4Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 2.87Å; A156-R158 VanDerWaalsContact C-N 3.32Å; A156-R158 PolarHBondContact O-N 3.33Å; A156-V159 PolarHBondContact O-N 3.01Å; A156-V159 VanDerWaalsContact O-N 3.09Å; A156-H160 PolarHBondContact O-CD2 3.33Å; A156-H160 PolarHBondContact O-N 2.96Å
157A74.2Confident81.7Confident20 Ų2056.7 Ų56.717%0.16527%0.274CS..Hα-helixtrans-59.5-41.317500000112.1Q95 A99 A153 V154 P155 V159Q95-A157 HydrophobicContact CB-CB 4.24Å; Q95-A157 WeakPolarHBondContact CB-O 3.5Å; Q95-A157 WeakPolarHBondContact CG-O 3.29Å; A99-A157 HydrophobicContact CB-CB 4.21Å; A153-A157 WeakPolarHBondContact O-CB 3.37Å; A153-A157 PolarHBondContact O-N 3.33Å; V154-A157 WeakPolarHBondContact O-CB 3.17Å; V154-A157 PolarHBondContact O-N 3.5Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-A157 PolarHBondContact O-N 3.42Å; A157-V159 PolarHBondContact O-N 3.4Å
158R68.7Low81.2Confident144 Ų14463.6 Ų63.654%0.54329%0.289SS..Hα-helixtrans-64.5-29.4176.6-64.7-98.2-167.783.50.8112.5V154 P155 A156 R161V154-R158 VanDerWaalsContact O-CG 3.31Å; V154-R158 WeakPolarHBondContact O-CG 3.3Å; V154-R158 PolarHBondContact O-N 2.86Å; V154-R158 VanDerWaalsContact O-N 3.11Å; P155-R158 WeakPolarHBondContact O-CB 3.4Å; P155-R158 PolarHBondContact O-N 3.19Å; A156-R158 VanDerWaalsContact C-N 3.32Å; A156-R158 PolarHBondContact O-N 3.33Å; R158-R161 WeakPolarHBondContact O-CG 3.23Å
159V65.3Low80.7Confident11 Ų1167.6 Ų67.67%0.06731%0.312CS..Hα-helixtrans-90-32.8-174.1171.90000112.2P155 A156 A157 R161 L183P155-V159 WeakPolarHBondContact O-CG2 3.43Å; P155-V159 PolarHBondContact O-N 2.95Å; P155-V159 VanDerWaalsContact O-N 3.14Å; A156-V159 PolarHBondContact O-N 3.01Å; A156-V159 VanDerWaalsContact O-N 3.09Å; A157-V159 PolarHBondContact O-N 3.4Å; V159-R161 PolarHBondContact O-N 3.48Å; V159-L183 HydrophobicContact CB-CD1 4.25Å; V159-L183 HydrophobicContact CG1-CB 4.2Å; V159-L183 HydrophobicContact CG1-CD1 4.31Å; V159-L183 HydrophobicContact CG1-CD2 4.25Å; V159-L183 HydrophobicContact CG1-CG 4.49Å; V159-L183 HydrophobicContact CG2-CB 4.04Å; V159-L183 HydrophobicContact CG2-CD1 3.4Å; V159-L183 HydrophobicContact CG2-CG 4.24Å
160H68.4Low80.3Confident20 Ų2073.1 Ų73.19%0.09334%0.341CS..SBendtrans-74.931.1170-67-57.3000113.1C94 G98 A156C94-H160 PolarHBondContact SG-O 3.38Å; G98-H160 VanDerWaalsContact CA-CD2 3.48Å; G98-H160 WeakPolarHBondContact CA-CD2 3.36Å; A156-H160 PolarHBondContact O-CD2 3.33Å; A156-H160 PolarHBondContact O-N 2.96Å
161R74.3Confident80.1Confident144 Ų14473.9 Ų73.954%0.54334%0.342SS..PPolyproline II helixtrans-67135.6170.7-85.3-170.7179.7145.6-2.6109.7Q95 R158 V159 S163Q95-R161 HydrophobicContact CG-CG 4.36Å; R158-R161 WeakPolarHBondContact O-CG 3.23Å; V159-R161 PolarHBondContact O-N 3.48Å; R161-S163 PolarHBondContact O-N 2.94Å
162P80.9Confident80.2Confident17 Ų1770.8 Ų70.811%0.1132%0.323CS..PPolyproline II helixtrans-62.7132.2178.322.8-29.1000110.2D91 R173 L174D91-P162 HydrophobicContact CB-CG 3.85Å; D91-P162 VanDerWaalsContact OD1-CG 3.31Å; D91-P162 WeakPolarHBondContact OD1-CG 3.45Å; P162-R173 HydrophobicContact CB-CB 4.42Å; P162-L174 CarbonylContact C-O 3.59Å; P162-L174 WeakPolarHBondContact CA-O 3.27Å; P162-L174 WeakPolarHBondContact CB-O 3.47Å
163S84.3Confident80.4Confident37 Ų3773 Ų7326%0.25933%0.331SS..EExtended strand (participates in β ladder)trans-89148.3173.352.90000110R161 R173 L174R161-S163 PolarHBondContact O-N 2.94Å; S163-R173 CarbonylContact O-C 3.57Å; S163-R173 WeakPolarHBondContact O-CA 3.48Å; S163-L174 PolarHBondContact N-O 3.31Å; S163-L174 PolarHBondContact O-N 3.43Å
164R87Confident80.7Confident156 Ų15673.2 Ų73.259%0.58933%0.331SS*.EExtended strand (participates in β ladder)trans-103.3140178.7-47.4-161.9-170170.6-2.1110.5E171 V172 R173R164-E171 HydrophobicContact CB-CG 4.28Å; R164-E171 WeakPolarHBondContact CD-OE1 3.38Å; R164-E171 IonicContact CZ-OE1 2.76Å; R164-E171 IonicContact NE-OE1 3.99Å; R164-E171 IonicContact NH1-OE1 3.96Å; R164-E171 PolarHBondContact NH1-OE1 3.16Å; R164-V172 WeakPolarHBondContact CA-O 3.43Å; R164-R173 HydrophobicContact CG-CG 4.43Å
165C86.2Confident81.3Confident7 Ų769.5 Ų69.55%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-144.4164.2175.365.10000110.4V12 L13 C15 V172 L174V12-C165 VanDerWaalsContact CG1-CA 3.5Å; L13-C165 WeakPolarHBondContact O-CA 3.49Å; C15-C165 VanDerWaalsContact CA-SG 3.54Å; C15-C165 HydrophobicContact CB-CB 3.92Å; C15-C165 WeakPolarHBondContact CB-SG 3.46Å; C15-C165 WeakPolarHBondContact SG-CB 3.48Å; C15-C165 CovalentContact SG-SG 2.03Å; C15-C165 PolarHBondContact SG-SG 2.88Å; C165-V172 PolarHBondContact N-O 3.27Å; C165-V172 PolarHBondContact O-N 3.47Å; C165-L174 HydrophobicContact CB-CD1 4.47Å; C165-L174 WeakPolarHBondContact SG-CD1 3.49Å; C165-L174 VanDerWaalsContact SG-CG 3.59Å
166R88.2Confident81.8Confident123 Ų12369.5 Ų69.546%0.46431%0.307SS..EExtended strand (participates in β ladder)trans-101.2125.4-179.2-162.1171.4175.8126.3-1110.3V12 L13 P14 C15 D169 L170V12-R166 HydrophobicContact CG1-CB 4.23Å; L13-R166 PolarHBondContact O-N 2.89Å; P14-R166 WeakPolarHBondContact CA-O 3.46Å; C15-R166 PolarHBondContact N-O 2.9Å; C15-R166 VanDerWaalsContact SG-C 3.54Å; C15-R166 PolarHBondContact SG-O 3.24Å; R166-D169 IonicContact CZ-OD1 3.67Å; R166-D169 IonicContact NE-OD1 3.63Å; R166-D169 PolarHBondContact NE-OD1 3.34Å; R166-D169 IonicContact NH2-OD1 2.8Å; R166-D169 PolarHBondContact NH2-OD1 3.36Å; R166-L170 CarbonylContact C-O 3.5Å; R166-L170 WeakPolarHBondContact CA-O 3.32Å
167Y85.8Confident82.3Confident96 Ų9669.2 Ų69.238%0.37630%0.304SS..EExtended strand (participates in β ladder)trans-128.6118.1174.6179.6-100.3000109.4R19 D169 L170R19-Y167 PolarHBondContact NH2-OH 3.42Å; Y167-D169 VanDerWaalsContact C-N 3.25Å; Y167-D169 PolarHBondContact O-N 3.47Å; Y167-L170 PolarHBondContact N-O 2.91Å; Y167-L170 WeakPolarHBondContact O-CB 3.34Å; Y167-L170 PolarHBondContact O-N 3.43Å
168R85.5Confident81.8Confident198 Ų19870.1 Ų70.175%0.74731%0.309SS*.THydrogen-bonded Turntrans47.448.4-176-61.4-177.4174.1-173-5.1112.5L170R168-L170 PolarHBondContact O-N 3.09Å; R168-L170 VanDerWaalsContact O-N 3.11Å
169D82.8Confident81.7Confident123 Ų12364.4 Ų64.466%0.65829%0.288SS*.THydrogen-bonded Turntrans64.36-177.6-64.3-59.3000117.8R166 Y167R166-D169 IonicContact CZ-OD1 3.67Å; R166-D169 IonicContact NE-OD1 3.63Å; R166-D169 PolarHBondContact NE-OD1 3.34Å; R166-D169 IonicContact NH2-OD1 2.8Å; R166-D169 PolarHBondContact NH2-OD1 3.36Å; Y167-D169 VanDerWaalsContact C-N 3.25Å; Y167-D169 PolarHBondContact O-N 3.47Å
170L86.6Confident81.6Confident118 Ų11865.5 Ų65.562%0.61830%0.296SS*.EExtended strand (participates in β ladder)trans-99.3136.4171.2-69.5132.5000110.8R166 Y167 R168 V172R166-L170 CarbonylContact C-O 3.5Å; R166-L170 WeakPolarHBondContact CA-O 3.32Å; Y167-L170 PolarHBondContact N-O 2.91Å; Y167-L170 WeakPolarHBondContact O-CB 3.34Å; Y167-L170 PolarHBondContact O-N 3.43Å; R168-L170 PolarHBondContact O-N 3.09Å; R168-L170 VanDerWaalsContact O-N 3.11Å; L170-V172 PolarHBondContact O-N 3.1Å
171E89Confident81.4Confident108 Ų10867.1 Ų67.151%0.50531%0.306SS..EExtended strand (participates in β ladder)trans-76.4118.8169.6-173.4173.6138.200109.2R164R164-E171 HydrophobicContact CB-CG 4.28Å; R164-E171 WeakPolarHBondContact CD-OE1 3.38Å; R164-E171 IonicContact CZ-OE1 2.76Å; R164-E171 IonicContact NE-OE1 3.99Å; R164-E171 IonicContact NH1-OE1 3.96Å; R164-E171 PolarHBondContact NH1-OE1 3.16Å
172V90.7Very high80.9Confident29 Ų2966.2 Ų66.218%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-119.2154.6176.8-59.90000110.4C15 H86 R164 C165 L170C15-V172 WeakPolarHBondContact SG-CG2 3.43Å; H86-V172 HydrophobicContact CB-CB 4.18Å; R164-V172 WeakPolarHBondContact CA-O 3.43Å; C165-V172 PolarHBondContact N-O 3.27Å; C165-V172 PolarHBondContact O-N 3.47Å; L170-V172 PolarHBondContact O-N 3.1Å
173R90.6Very high80.1Confident72 Ų7266.2 Ų66.227%0.27231%0.307SS..EExtended strand (participates in β ladder)trans-102.1134.1178.3-67179.4-67.1147.46.4109.7H86 W87 P88 F89 D91 P162 S163 R164H86-R173 CarbonylContact C-O 3.44Å; H86-R173 WeakPolarHBondContact CA-O 3.44Å; W87-R173 HydrophobicContact CB-CB 4.18Å; W87-R173 WeakPolarHBondContact CB-O 3.22Å; W87-R173 PolarHBondContact N-O 3.25Å; W87-R173 PolarHBondContact O-NH2 2.83Å; P88-R173 PolarHBondContact O-NH2 3.48Å; F89-R173 VanDerWaalsContact O-CZ 3.27Å; F89-R173 PolarHBondContact O-NH1 3.45Å; F89-R173 PolarHBondContact O-NH2 3.14Å; D91-R173 IonicContact OD1-CZ 3.39Å; D91-R173 IonicContact OD1-NH1 3.41Å; D91-R173 PolarHBondContact OD1-NH1 3.36Å; P162-R173 HydrophobicContact CB-CB 4.42Å; S163-R173 CarbonylContact O-C 3.57Å; S163-R173 WeakPolarHBondContact O-CA 3.48Å; R164-R173 HydrophobicContact CG-CG 4.43Å
174L88.9Confident79.3Confident9 Ų965 Ų655%0.04730%0.296CS..EExtended strand (participates in β ladder)trans-111.1135.5173.5-57.9-179.4000109.3Y18 Y81 P162 S163 C165 E177Y18-L174 HydrophobicContact CD2-CD1 4.44Å; Y18-L174 HydrophobicContact CE2-CD1 4Å; Y81-L174 HydrophobicContact CE2-CD2 4.35Å; P162-L174 CarbonylContact C-O 3.59Å; P162-L174 WeakPolarHBondContact CA-O 3.27Å; P162-L174 WeakPolarHBondContact CB-O 3.47Å; S163-L174 PolarHBondContact N-O 3.31Å; S163-L174 PolarHBondContact O-N 3.43Å; C165-L174 HydrophobicContact CB-CD1 4.47Å; C165-L174 WeakPolarHBondContact SG-CD1 3.49Å; C165-L174 VanDerWaalsContact SG-CG 3.59Å; L174-E177 HydrophobicContact CB-CB 4.48Å; L174-E177 HydrophobicContact CB-CG 4.38Å
175C88.9Confident78.3Confident1 Ų161.5 Ų61.51%0.00729%0.285CS..  trans-116.1155.1176.2-175.30000109.2Y81 W87 C94 E177Y81-C175 HydrophobicContact CD2-CB 4.39Å; Y81-C175 WeakPolarHBondContact CE1-O 3.41Å; Y81-C175 HydrophobicContact CE2-CB 4.48Å; Y81-C175 PolarHBondContact OH-O 3.39Å; W87-C175 HydrophobicContact CB-CB 4.08Å; W87-C175 HydrophobicContact CD2-CB 3.66Å; W87-C175 HydrophobicContact CE3-CB 3.47Å; W87-C175 VanDerWaalsContact CE3-CB 3.47Å; W87-C175 HydrophobicContact CG-CB 3.93Å; W87-C175 HydrophobicContact CZ3-CB 4.17Å; C94-C175 VanDerWaalsContact CA-SG 3.53Å; C94-C175 HydrophobicContact CB-CB 4.05Å; C94-C175 WeakPolarHBondContact CB-SG 3Å; C94-C175 WeakPolarHBondContact SG-CB 3.27Å; C94-C175 CovalentContact SG-SG 2.02Å; C94-C175 PolarHBondContact SG-SG 2.87Å; C175-E177 PolarHBondContact O-N 2.88Å
176F84Confident77.5Confident15 Ų1564 Ų647%0.06631%0.312CS..SBendtrans63.5-10.6-179.5-45.2-61.9000116.9R78 Y81 W87 A97R78-F176 HydrophobicContact CB-CE2 4.35Å; R78-F176 HydrophobicContact CG-CD2 4.35Å; R78-F176 HydrophobicContact CG-CE2 3.64Å; R78-F176 HydrophobicContact CG-CZ 3.75Å; Y81-F176 AromaticContact CD1-CD2 3.94Å; Y81-F176 HydrophobicContact CD1-CD2 3.94Å; Y81-F176 HydrophobicContact CE1-CD2 4.38Å; Y81-F176 HydrophobicContact CG-CD2 4.48Å; W87-F176 HydrophobicContact CE3-CE2 4.42Å; W87-F176 HydrophobicContact CH2-CE2 4.48Å; W87-F176 HydrophobicContact CH2-CZ 4.45Å; W87-F176 AromaticContact CZ3-CE2 3.79Å; W87-F176 HydrophobicContact CZ3-CE2 3.79Å; W87-F176 HydrophobicContact CZ3-CZ 4.2Å; A97-F176 HydrophobicContact CB-CE1 4.19Å; A97-F176 HydrophobicContact CB-CZ 3.79Å
177E78Confident76.8Confident5 Ų569.8 Ų69.82%0.02333%0.334CS..  trans-82.9-30.1177.7-61.4-55.814900113.1Y18 H22 Y81 L174 C175 F179 R276 M280Y18-E177 HydrophobicContact CD2-CG 3.84Å; Y18-E177 HydrophobicContact CE2-CB 4.05Å; Y18-E177 HydrophobicContact CE2-CG 3.71Å; H22-E177 IonicContact CD2-OE1 2.98Å; H22-E177 IonicContact NE2-OE1 3.33Å; H22-E177 PolarHBondContact NE2-OE1 3.11Å; Y81-E177 WeakPolarHBondContact OH-CG 3.41Å; L174-E177 HydrophobicContact CB-CB 4.48Å; L174-E177 HydrophobicContact CB-CG 4.38Å; C175-E177 PolarHBondContact O-N 2.88Å; E177-F179 PolarHBondContact O-N 3.18Å; E177-R276 PolarHBondContact O-NH2 3.33Å; E177-R276 IonicContact OE2-NH2 2.63Å; E177-M280 WeakPolarHBondContact OE2-CE 3.23Å
178S64.6Low76.4Confident39 Ų3967.5 Ų67.527%0.27333%0.328SS..  trans-85.8108.3-175.7-169.60000110.8
179F65.9Low76.2Confident24 Ų2460.1 Ų60.111%0.10530%0.303CS..  trans-94.692.6158.2-64.7-86.8000106.8E177 D181 L254 Y257 L279 M280E177-F179 PolarHBondContact O-N 3.18Å; F179-D181 PolarHBondContact O-N 2.96Å; F179-L254 HydrophobicContact CE1-CD1 4.5Å; F179-Y257 HydrophobicContact CB-CE1 3.58Å; F179-Y257 HydrophobicContact CD2-CE1 4.42Å; F179-Y257 AromaticContact CG-CE1 3.99Å; F179-Y257 HydrophobicContact CG-CE1 3.99Å; F179-L279 HydrophobicContact CD1-CD2 4.38Å; F179-L279 HydrophobicContact CD2-CD2 4.4Å; F179-L279 HydrophobicContact CE1-CD2 3.85Å; F179-L279 HydrophobicContact CE2-CD2 3.86Å; F179-L279 HydrophobicContact CZ-CD2 3.56Å; F179-L279 HydrophobicContact CZ-CG 4.19Å; F179-M280 HydrophobicContact CE2-CE 3.76Å; F179-M280 HydrophobicContact CE2-SD 4.25Å
180S63.1Low76.2Confident35 Ų3558.2 Ų58.225%0.24530%0.298CS..  trans-55136.2-175.7-177.40000111.7E182 L183S180-E182 PolarHBondContact O-N 3.48Å; S180-E182 WeakPolarHBondContact OG-CB 3.29Å; S180-E182 PolarHBondContact OG-N 3.13Å; S180-L183 WeakPolarHBondContact O-CB 3.4Å; S180-L183 PolarHBondContact O-N 3.27Å; S180-L183 VanDerWaalsContact O-N 3.13Å
181D63.6Low76.1Confident54 Ų5455.5 Ų55.529%0.28928%0.284SS..G310 helixtrans-57.2-27.3172.2-91.78.6000112.4F179 L183 W184 K185 R261F179-D181 PolarHBondContact O-N 2.96Å; D181-L183 PolarHBondContact O-N 2.97Å; D181-W184 PolarHBondContact O-N 3.23Å; D181-W184 VanDerWaalsContact O-N 3.13Å; D181-K185 HydrophobicContact CB-CD 4.4Å; D181-K185 WeakPolarHBondContact O-CG 3.39Å; D181-K185 PolarHBondContact O-N 3.49Å; D181-K185 IonicContact OD2-NZ 2.62Å; D181-K185 PolarHBondContact OD2-NZ 2.88Å; D181-R261 VanDerWaalsContact OD1-CD 3.29Å; D181-R261 WeakPolarHBondContact OD1-CD 3.29Å; D181-R261 IonicContact OD1-CZ 2.85Å; D181-R261 IonicContact OD1-NE 2.84Å; D181-R261 IonicContact OD1-NH1 3.59Å; D181-R261 PolarHBondContact OD1-NH1 3.5Å; D181-R261 IonicContact OD2-NH1 3.98Å
182E63.7Low75.7Confident124 Ų12451.1 Ų51.158%0.57926%0.264SS*.G310 helixtrans-65-21.7179.4-59.5-56.7141.200113S180 W184 K185S180-E182 PolarHBondContact O-N 3.48Å; S180-E182 WeakPolarHBondContact OG-CB 3.29Å; S180-E182 PolarHBondContact OG-N 3.13Å; E182-W184 VanDerWaalsContact C-N 3.29Å; E182-K185 VanDerWaalsContact O-O 3.09Å
183L65.2Low75.5Confident18 Ų1854.6 Ų54.69%0.09428%0.281CS..G310 helixtrans-67-36174.8-170.273.6000111.3V159 S180 D181 V192V159-L183 HydrophobicContact CB-CD1 4.25Å; V159-L183 HydrophobicContact CG1-CB 4.2Å; V159-L183 HydrophobicContact CG1-CD1 4.31Å; V159-L183 HydrophobicContact CG1-CD2 4.25Å; V159-L183 HydrophobicContact CG1-CG 4.49Å; V159-L183 HydrophobicContact CG2-CB 4.04Å; V159-L183 HydrophobicContact CG2-CD1 3.4Å; V159-L183 HydrophobicContact CG2-CG 4.24Å; S180-L183 WeakPolarHBondContact O-CB 3.4Å; S180-L183 PolarHBondContact O-N 3.27Å; S180-L183 VanDerWaalsContact O-N 3.13Å; D181-L183 PolarHBondContact O-N 2.97Å; L183-V192 HydrophobicContact CD1-CG2 3.41Å; L183-V192 VanDerWaalsContact CD1-CG2 3.41Å; L183-V192 HydrophobicContact CD2-CG2 4.44Å; L183-V192 HydrophobicContact CG-CG2 3.8Å
184W66.8Low75.5Confident12 Ų1255 Ų555%0.04529%0.288CS..SBendtrans-103.47-169.5-55.8107000112.8D181 E182 L189 V192 L254 Y257 G258 R261 S262D181-W184 PolarHBondContact O-N 3.23Å; D181-W184 VanDerWaalsContact O-N 3.13Å; E182-W184 VanDerWaalsContact C-N 3.29Å; W184-L189 HydrophobicContact CE3-CD1 4.1Å; W184-V192 HydrophobicContact CH2-CG1 4.19Å; W184-V192 HydrophobicContact CZ3-CG1 4.03Å; W184-L254 HydrophobicContact CH2-CD1 4.39Å; W184-L254 HydrophobicContact CH2-CG 4.23Å; W184-L254 HydrophobicContact CZ2-CD1 3.92Å; W184-L254 HydrophobicContact CZ2-CG 4.26Å; W184-Y257 HydrophobicContact CZ2-CD1 4.48Å; W184-G258 VanDerWaalsContact CE2-CA 3.49Å; W184-G258 VanDerWaalsContact CH2-CA 3.5Å; W184-R261 HydrophobicContact CB-CB 3.8Å; W184-R261 HydrophobicContact CG-CB 3.74Å; W184-S262 VanDerWaalsContact O-CB 3.31Å; W184-S262 WeakPolarHBondContact O-CB 3.37Å
185K65.3Low75.4Confident81 Ų8154.8 Ų54.835%0.35229%0.288SS..SBendtrans-132.2138.1-179.5-64.4176-167.7164.40109.8D181 E182D181-K185 HydrophobicContact CB-CD 4.4Å; D181-K185 WeakPolarHBondContact O-CG 3.39Å; D181-K185 PolarHBondContact O-N 3.49Å; D181-K185 IonicContact OD2-NZ 2.62Å; D181-K185 PolarHBondContact OD2-NZ 2.88Å; E182-K185 VanDerWaalsContact O-O 3.09Å
186G71.2Confident75.5Confident60 Ų6055.8 Ų55.862%0.61929%0.293SS*.G310 helixtrans74.4-142.3172.600000115.2L188G186-L188 VanDerWaalsContact C-N 3.33Å; G186-L188 PolarHBondContact O-N 2.91Å
187R73.2Confident75.9Confident245 Ų24556.9 Ų56.993%0.92530%0.304SS*.G310 helixtrans-73.6-13.8-164.3-64.2-179-179179.70.1115.3
188L77Confident76.6Confident48 Ų4859.8 Ų59.825%0.25132%0.32SS..G310 helixtrans-85.8-23.9-179.6-69.9172.8000113G186 L191 V192G186-L188 VanDerWaalsContact C-N 3.33Å; G186-L188 PolarHBondContact O-N 2.91Å; L188-L191 WeakPolarHBondContact O-CB 3.26Å; L188-L191 PolarHBondContact O-N 2.99Å; L188-L191 VanDerWaalsContact O-N 3.12Å; L188-V192 WeakPolarHBondContact O-CG2 3.17Å; L188-V192 PolarHBondContact O-N 2.86Å; L188-V192 VanDerWaalsContact O-N 3.1Å
189L80.3Confident77.9Confident42 Ų4258 Ų5822%0.2231%0.307CS..Hα-helixtrans-56.5-47.5-177.4177.568.4000113.3W184 L191 V192 L193W184-L189 HydrophobicContact CE3-CD1 4.1Å; L189-L191 PolarHBondContact O-N 3.31Å; L189-V192 PolarHBondContact O-N 3.18Å; L189-L193 HydrophobicContact CD1-CD1 4.33Å; L189-L193 HydrophobicContact CD1-CG 4.25Å; L189-L193 HydrophobicContact CG-CD1 4.13Å; L189-L193 HydrophobicContact CG-CG 4.45Å; L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.49Å
190P84.3Confident79.3Confident83 Ų8357.3 Ų57.354%0.53930%0.304SS..Hα-helixtrans-60.6-33.9178.5-23.234.7000113L194P190-L194 VanDerWaalsContact O-CB 3.29Å; P190-L194 WeakPolarHBondContact O-CB 3.49Å; P190-L194 PolarHBondContact O-N 3.04Å
191L83.4Confident80.8Confident62 Ų6260.3 Ų60.333%0.32532%0.317SS..Hα-helixtrans-71.6-37.7180-172.564.8000111.6F152 P155 L188 L189 L194 A195F152-L191 HydrophobicContact CD1-CD1 3.97Å; F152-L191 HydrophobicContact CD1-CG 4.3Å; F152-L191 HydrophobicContact CE1-CD1 3.47Å; F152-L191 VanDerWaalsContact CE1-CD1 3.47Å; F152-L191 HydrophobicContact CE1-CG 4.18Å; F152-L191 HydrophobicContact CZ-CD1 4.29Å; P155-L191 HydrophobicContact CB-CD2 4.22Å; P155-L191 HydrophobicContact CG-CD2 3.23Å; P155-L191 HydrophobicContact CG-CG 4.05Å; L188-L191 WeakPolarHBondContact O-CB 3.26Å; L188-L191 PolarHBondContact O-N 2.99Å; L188-L191 VanDerWaalsContact O-N 3.12Å; L189-L191 PolarHBondContact O-N 3.31Å; L191-L194 PolarHBondContact O-N 2.71Å; L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.27Å
192V82.1Confident82.3Confident15 Ų1562.3 Ų62.39%0.09133%0.327CS..Hα-helixtrans-66.5-45.1174175.80000110.9L183 W184 L188 L189 L194 A195 E196L183-V192 HydrophobicContact CD1-CG2 3.41Å; L183-V192 VanDerWaalsContact CD1-CG2 3.41Å; L183-V192 HydrophobicContact CD2-CG2 4.44Å; L183-V192 HydrophobicContact CG-CG2 3.8Å; W184-V192 HydrophobicContact CH2-CG1 4.19Å; W184-V192 HydrophobicContact CZ3-CG1 4.03Å; L188-V192 WeakPolarHBondContact O-CG2 3.17Å; L188-V192 PolarHBondContact O-N 2.86Å; L188-V192 VanDerWaalsContact O-N 3.1Å; L189-V192 PolarHBondContact O-N 3.18Å; V192-L194 VanDerWaalsContact C-N 3.29Å; V192-L194 PolarHBondContact O-N 2.87Å; V192-A195 WeakPolarHBondContact O-CB 3.33Å; V192-A195 PolarHBondContact O-N 3.44Å; V192-E196 PolarHBondContact O-N 2.89Å
193L86.3Confident83.9Confident102 Ų10256.4 Ų56.453%0.53430%0.299SS..Hα-helixtrans-61.4-40.2175.8-67.7175.5000111.6L189 E196 A197L189-L193 HydrophobicContact CD1-CD1 4.33Å; L189-L193 HydrophobicContact CD1-CG 4.25Å; L189-L193 HydrophobicContact CG-CD1 4.13Å; L189-L193 HydrophobicContact CG-CG 4.45Å; L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.49Å; L193-E196 PolarHBondContact O-N 3.47Å; L193-A197 VanDerWaalsContact O-CB 3.26Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 2.96Å
194L89.5Confident85.3Confident80 Ų8057.1 Ų57.142%0.41930%0.303SS..Hα-helixtrans-65.3-40.8174.9-174.563.9000111.8F152 P190 L191 V192 A197 L198F152-L194 HydrophobicContact CE1-CB 4.35Å; F152-L194 HydrophobicContact CE1-CD2 4.19Å; F152-L194 HydrophobicContact CE1-CG 4.22Å; F152-L194 HydrophobicContact CZ-CD2 3.88Å; F152-L194 HydrophobicContact CZ-CG 4.05Å; P190-L194 VanDerWaalsContact O-CB 3.29Å; P190-L194 WeakPolarHBondContact O-CB 3.49Å; P190-L194 PolarHBondContact O-N 3.04Å; L191-L194 PolarHBondContact O-N 2.71Å; V192-L194 VanDerWaalsContact C-N 3.29Å; V192-L194 PolarHBondContact O-N 2.87Å; L194-A197 PolarHBondContact O-N 3.43Å; L194-L198 HydrophobicContact CD1-CD1 3.65Å; L194-L198 HydrophobicContact CD1-CG 3.94Å; L194-L198 HydrophobicContact CG-CD1 3.9Å; L194-L198 HydrophobicContact CG-CG 4.4Å; L194-L198 WeakPolarHBondContact O-CB 3.38Å; L194-L198 WeakPolarHBondContact O-CG 3.19Å; L194-L198 PolarHBondContact O-N 3.47Å
195A88.1Confident86.7Confident6 Ų659.5 Ų59.55%0.0533%0.325CS..Hα-helixtrans-61.8-45.4175.500000111.6Y106 F152 L191 V192 G199Y106-A195 HydrophobicContact CE2-CB 3.99Å; F152-A195 HydrophobicContact CB-CB 4.34Å; F152-A195 HydrophobicContact CD1-CB 3.52Å; F152-A195 HydrophobicContact CE1-CB 4.04Å; F152-A195 HydrophobicContact CG-CB 4.12Å; L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.27Å; V192-A195 WeakPolarHBondContact O-CB 3.33Å; V192-A195 PolarHBondContact O-N 3.44Å; A195-G199 WeakPolarHBondContact O-CA 3.13Å; A195-G199 PolarHBondContact O-N 3.29Å
196E89.5Confident88.2Confident22 Ų2256.8 Ų56.810%0.10332%0.318CS..Hα-helixtrans-64.5-42.9175.5-76.5-59138.700112.1Y106 V192 L193 F200 L201 N251Y106-E196 PolarHBondContact OH-OE1 2.94Å; V192-E196 PolarHBondContact O-N 2.89Å; L193-E196 PolarHBondContact O-N 3.47Å; E196-F200 WeakPolarHBondContact O-CA 3.3Å; E196-F200 WeakPolarHBondContact O-CB 3.31Å; E196-F200 PolarHBondContact O-N 3.46Å; E196-L201 PolarHBondContact O-N 3.31Å; E196-N251 PolarHBondContact OE1-OD1 2.91Å; E196-N251 PolarHBondContact OE2-OD1 3.47Å
197A92.3Very high89.3Confident37 Ų3753.9 Ų53.931%0.30629%0.288SS..Iπ-helixtrans-62.7-48.417900000111.9L193 L194 L201 L202L193-A197 VanDerWaalsContact O-CB 3.26Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 2.96Å; L194-A197 PolarHBondContact O-N 3.43Å; A197-L201 PolarHBondContact O-N 2.92Å; A197-L202 VanDerWaalsContact O-CB 3.3Å; A197-L202 WeakPolarHBondContact O-CB 3.03Å; A197-L202 PolarHBondContact O-N 3Å
198L93.6Very high90.2Very high67 Ų6745.7 Ų45.735%0.35127%0.265SS..Iπ-helixtrans-84.5-34.1-175.8-63.1-178.5000113.2F148 L194 L202 P203F148-L198 HydrophobicContact CE2-CB 3.66Å; F148-L198 HydrophobicContact CE2-CD1 3.82Å; F148-L198 HydrophobicContact CE2-CG 4.42Å; F148-L198 HydrophobicContact CZ-CB 3.61Å; L194-L198 HydrophobicContact CD1-CD1 3.65Å; L194-L198 HydrophobicContact CD1-CG 3.94Å; L194-L198 HydrophobicContact CG-CD1 3.9Å; L194-L198 HydrophobicContact CG-CG 4.4Å; L194-L198 WeakPolarHBondContact O-CB 3.38Å; L194-L198 WeakPolarHBondContact O-CG 3.19Å; L194-L198 PolarHBondContact O-N 3.47Å; L198-L202 HydrophobicContact CD2-CD2 4.42Å; L198-P203 WeakPolarHBondContact O-CD 3.36Å
199G92Very high91.1Very high0 Ų049.2 Ų49.20%028%0.276CS..Iπ-helixtrans-88.4-20.7-175.800000114.4C109 A195C109-G199 WeakPolarHBondContact CB-O 3.49Å; A195-G199 WeakPolarHBondContact O-CA 3.13Å; A195-G199 PolarHBondContact O-N 3.29Å
200F93.9Very high91.6Very high11 Ų1147.3 Ų47.35%0.04827%0.266CS..Iπ-helixtrans-131.2-56.8-178.9170.3-109.4000113.8E196 L202 P203 L204 F243 F247 V248 N251E196-F200 WeakPolarHBondContact O-CA 3.3Å; E196-F200 WeakPolarHBondContact O-CB 3.31Å; E196-F200 PolarHBondContact O-N 3.46Å; F200-L202 PolarHBondContact O-N 3.25Å; F200-P203 WeakPolarHBondContact O-CD 3.3Å; F200-L204 HydrophobicContact CE1-CD2 4.39Å; F200-L204 HydrophobicContact CE2-CD2 4.46Å; F200-L204 HydrophobicContact CZ-CD2 3.92Å; F200-L204 WeakPolarHBondContact O-CB 3.4Å; F200-L204 PolarHBondContact O-N 2.76Å; F200-F243 AromaticContact CD2-CE1 3.89Å; F200-F243 HydrophobicContact CD2-CE1 3.89Å; F200-F243 HydrophobicContact CD2-CZ 4.49Å; F200-F243 HydrophobicContact CE2-CD1 4.48Å; F200-F243 AromaticContact CE2-CE1 3.83Å; F200-F243 HydrophobicContact CE2-CE1 3.83Å; F200-F247 HydrophobicContact CD2-CB 4.3Å; F200-F247 HydrophobicContact CE2-CB 4.14Å; F200-V248 HydrophobicContact CE2-CB 4.48Å; F200-V248 HydrophobicContact CE2-CG2 3.95Å; F200-V248 HydrophobicContact CZ-CB 4.23Å; F200-V248 HydrophobicContact CZ-CG2 3.87Å; F200-N251 HydrophobicContact CD1-CB 3.53Å; F200-N251 HydrophobicContact CD2-CB 3.98Å; F200-N251 VanDerWaalsContact CD2-ND2 3.33Å; F200-N251 WeakPolarHBondContact CD2-ND2 3.43Å; F200-N251 HydrophobicContact CE1-CB 3.6Å; F200-N251 HydrophobicContact CE2-CB 4.03Å; F200-N251 HydrophobicContact CG-CB 3.74Å; F200-N251 HydrophobicContact CZ-CB 3.85Å
201L95.4Very high91.9Very high98 Ų9843.4 Ų43.451%0.51324%0.241SC..Iπ-helixtrans-65.7-44.6-172.9-66176.8000112.9E196 A197 L204 A205E196-L201 PolarHBondContact O-N 3.31Å; A197-L201 PolarHBondContact O-N 2.92Å; L201-L204 PolarHBondContact O-N 2.63Å; L201-A205 WeakPolarHBondContact O-CB 3.3Å; L201-A205 PolarHBondContact O-N 2.88Å
202L96.2Very high92.3Very high95 Ų9542.3 Ų42.350%0.49725%0.245SC..Hα-helixtrans-61.6-51.5175.7173.182.3000111.1A197 L198 F200 L204 A205 A206A197-L202 VanDerWaalsContact O-CB 3.3Å; A197-L202 WeakPolarHBondContact O-CB 3.03Å; A197-L202 PolarHBondContact O-N 3Å; L198-L202 HydrophobicContact CD2-CD2 4.42Å; F200-L202 PolarHBondContact O-N 3.25Å; L202-L204 PolarHBondContact O-N 2.91Å; L202-A205 PolarHBondContact O-N 3.12Å; L202-A206 VanDerWaalsContact O-CB 3.31Å; L202-A206 WeakPolarHBondContact O-CB 3.45Å; L202-A206 PolarHBondContact O-N 2.9Å
203P96.3Very high92.6Very high0 Ų046.2 Ų46.20%026%0.258CS..Hα-helixtrans-52-46.9170.5-34.639.4000114.7C109 I110 M113 L198 F200 A206 V207 F243C109-P203 HydrophobicContact CB-CB 4.15Å; C109-P203 HydrophobicContact CB-CG 4.36Å; I110-P203 HydrophobicContact CG1-CG 3.9Å; M113-P203 HydrophobicContact CB-CB 4.05Å; M113-P203 HydrophobicContact SD-CB 4.28Å; M113-P203 HydrophobicContact SD-CG 4.2Å; L198-P203 WeakPolarHBondContact O-CD 3.36Å; F200-P203 WeakPolarHBondContact O-CD 3.3Å; P203-A206 PolarHBondContact O-N 3Å; P203-V207 WeakPolarHBondContact O-CB 3.29Å; P203-V207 VanDerWaalsContact O-CG2 3.25Å; P203-V207 WeakPolarHBondContact O-CG2 3.38Å; P203-V207 PolarHBondContact O-N 3.06Å; P203-F243 HydrophobicContact CB-CE2 4.02Å; P203-F243 HydrophobicContact CB-CZ 3.6Å
204L95.6Very high92.6Very high34 Ų3441.4 Ų41.418%0.17823%0.232CC..Hα-helixtrans-60.3-51.9179.1177.463.8000111.2F200 L201 L202 A206 V207 V208 F243 L244 V248F200-L204 HydrophobicContact CE1-CD2 4.39Å; F200-L204 HydrophobicContact CE2-CD2 4.46Å; F200-L204 HydrophobicContact CZ-CD2 3.92Å; F200-L204 WeakPolarHBondContact O-CB 3.4Å; F200-L204 PolarHBondContact O-N 2.76Å; L201-L204 PolarHBondContact O-N 2.63Å; L202-L204 PolarHBondContact O-N 2.91Å; L204-A206 VanDerWaalsContact C-N 3.31Å; L204-A206 PolarHBondContact O-N 3.34Å; L204-V207 PolarHBondContact O-N 2.97Å; L204-V208 HydrophobicContact CD1-CG2 4.03Å; L204-V208 HydrophobicContact CG-CG2 4.5Å; L204-V208 WeakPolarHBondContact O-CB 3.13Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.37Å; L204-F243 HydrophobicContact CB-CD1 4.33Å; L204-F243 HydrophobicContact CB-CE1 3.8Å; L204-F243 HydrophobicContact CD1-CD1 3.71Å; L204-F243 HydrophobicContact CD1-CE1 4.06Å; L204-L244 HydrophobicContact CD1-CD2 4.16Å; L204-V248 HydrophobicContact CD1-CG2 3.93Å; L204-V248 HydrophobicContact CD2-CG2 4.23Å
205A96.1Very high92.5Very high61 Ų6140.8 Ų40.850%0.50423%0.226SC..Hα-helixtrans-58.9-44.3179.800000111.3L201 L202 Y209L201-A205 WeakPolarHBondContact O-CB 3.3Å; L201-A205 PolarHBondContact O-N 2.88Å; L202-A205 PolarHBondContact O-N 3.12Å; A205-Y209 WeakPolarHBondContact O-CB 3.32Å; A205-Y209 PolarHBondContact O-N 3.35Å
206A95.6Very high92.5Very high24 Ų2449.1 Ų49.120%0.19826%0.257CS..Hα-helixtrans-65.4-42.5178.100000112.4M113 V117 L202 P203 L204 S210M113-A206 HydrophobicContact CG-CB 3.6Å; M113-A206 HydrophobicContact SD-CB 3.72Å; V117-A206 HydrophobicContact CG2-CB 4.46Å; L202-A206 VanDerWaalsContact O-CB 3.31Å; L202-A206 WeakPolarHBondContact O-CB 3.45Å; L202-A206 PolarHBondContact O-N 2.9Å; P203-A206 PolarHBondContact O-N 3Å; L204-A206 VanDerWaalsContact C-N 3.31Å; L204-A206 PolarHBondContact O-N 3.34Å; A206-S210 WeakPolarHBondContact O-CB 3.37Å; A206-S210 PolarHBondContact O-N 2.67Å; A206-S210 PolarHBondContact O-OG 3.48Å
207V93.9Very high92.1Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-64.4-47.2176.8169.60000111.2M113 N116 P203 L204 S210 S211 L240 F243M113-V207 HydrophobicContact CB-CG2 4.08Å; N116-V207 HydrophobicContact CB-CG2 4.27Å; P203-V207 WeakPolarHBondContact O-CB 3.29Å; P203-V207 VanDerWaalsContact O-CG2 3.25Å; P203-V207 WeakPolarHBondContact O-CG2 3.38Å; P203-V207 PolarHBondContact O-N 3.06Å; L204-V207 PolarHBondContact O-N 2.97Å; V207-S210 PolarHBondContact O-OG 2.87Å; V207-S211 WeakPolarHBondContact O-CB 3.21Å; V207-S211 PolarHBondContact O-N 3.35Å; V207-S211 PolarHBondContact O-OG 2.88Å; V207-L240 HydrophobicContact CG1-CD1 4.03Å; V207-F243 HydrophobicContact CG2-CD2 4.07Å; V207-F243 HydrophobicContact CG2-CE2 4.23Å
208V93.9Very high91.4Very high73 Ų7349.2 Ų49.244%0.44225%0.254SS..Hα-helixtrans-62.8-49.5179171.30000110.7L204 G212 L240L204-V208 HydrophobicContact CD1-CG2 4.03Å; L204-V208 HydrophobicContact CG-CG2 4.5Å; L204-V208 WeakPolarHBondContact O-CB 3.13Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.37Å; V208-G212 PolarHBondContact O-N 2.86Å; V208-L240 HydrophobicContact CG2-CD1 4.1Å
209Y93.9Very high90.7Very high122 Ų12249 Ų4948%0.47827%0.268SS..Hα-helixtrans-61.9-51.2179.6174.2-100.5000112A205 S211 G212 R213A205-Y209 WeakPolarHBondContact O-CB 3.32Å; A205-Y209 PolarHBondContact O-N 3.35Å; Y209-S211 PolarHBondContact O-N 3.27Å; Y209-G212 PolarHBondContact O-N 2.82Å; Y209-R213 HydrophobicContact CD1-CG 4.47Å; Y209-R213 HydrophobicContact CD2-CG 4.18Å; Y209-R213 HydrophobicContact CE1-CG 4.11Å; Y209-R213 HydrophobicContact CE2-CG 3.8Å; Y209-R213 WeakPolarHBondContact O-CB 3.17Å; Y209-R213 VanDerWaalsContact O-CG 3.29Å; Y209-R213 WeakPolarHBondContact O-CG 3.36Å; Y209-R213 PolarHBondContact O-N 3.18Å; Y209-R213 PolarHBondContact OH-NH1 3.1Å
210S92.2Very high90Very high2 Ų255.9 Ų55.91%0.01429%0.294CS..Hα-helixtrans-62.3-43.1-178.759.70000111.6A206 V207 V214A206-S210 WeakPolarHBondContact O-CB 3.37Å; A206-S210 PolarHBondContact O-N 2.67Å; A206-S210 PolarHBondContact O-OG 3.48Å; V207-S210 PolarHBondContact O-OG 2.87Å; S210-V214 WeakPolarHBondContact O-CB 3.44Å; S210-V214 VanDerWaalsContact O-CG2 3.26Å; S210-V214 WeakPolarHBondContact O-CG2 3.34Å; S210-V214 PolarHBondContact O-N 2.88Å
211S90.7Very high88.7Confident1 Ų161.5 Ų61.51%0.00733%0.331CS..Hα-helixtrans-64.4-47.3177.3-59.20000111.5N116 V207 Y209 R213 V214 F215N116-S211 PolarHBondContact OD1-OG 3.15Å; V207-S211 WeakPolarHBondContact O-CB 3.21Å; V207-S211 PolarHBondContact O-N 3.35Å; V207-S211 PolarHBondContact O-OG 2.88Å; Y209-S211 PolarHBondContact O-N 3.27Å; S211-R213 PolarHBondContact O-N 3.21Å; S211-V214 PolarHBondContact O-N 3.43Å; S211-F215 WeakPolarHBondContact O-CB 3.47Å; S211-F215 VanDerWaalsContact O-CD2 3.28Å; S211-F215 WeakPolarHBondContact O-CD2 3.43Å; S211-F215 WeakPolarHBondContact O-CG 3.21Å; S211-F215 PolarHBondContact O-N 2.95Å
212G90.8Very high87.1Confident39 Ų3964.5 Ų64.540%0.40235%0.348SS..Hα-helixtrans-59.9-44.317800000112.5V208 Y209 F215 W216V208-G212 PolarHBondContact O-N 2.86Å; Y209-G212 PolarHBondContact O-N 2.82Å; G212-F215 PolarHBondContact O-N 3.38Å; G212-W216 WeakPolarHBondContact O-CB 3.26Å; G212-W216 PolarHBondContact O-N 3.48Å
213R89.9Confident85.5Confident97 Ų9761.6 Ų61.637%0.36634%0.338SS..Hα-helixtrans-64.8-41.9176.2-68.9-62.5-62.5-1004.4112.3Y120 Y209 S211 W216 T217Y120-R213 HydrophobicContact CD2-CB 4.05Å; Y120-R213 HydrophobicContact CE2-CB 3.77Å; Y120-R213 HydrophobicContact CE2-CG 4.29Å; Y209-R213 HydrophobicContact CD1-CG 4.47Å; Y209-R213 HydrophobicContact CD2-CG 4.18Å; Y209-R213 HydrophobicContact CE1-CG 4.11Å; Y209-R213 HydrophobicContact CE2-CG 3.8Å; Y209-R213 WeakPolarHBondContact O-CB 3.17Å; Y209-R213 VanDerWaalsContact O-CG 3.29Å; Y209-R213 WeakPolarHBondContact O-CG 3.36Å; Y209-R213 PolarHBondContact O-N 3.18Å; Y209-R213 PolarHBondContact OH-NH1 3.1Å; S211-R213 PolarHBondContact O-N 3.21Å; R213-W216 PolarHBondContact O-N 3.12Å; R213-T217 WeakPolarHBondContact O-CB 3.25Å; R213-T217 PolarHBondContact O-N 2.86Å; R213-T217 PolarHBondContact O-OG1 2.98Å; R213-T217 VanDerWaalsContact O-OG1 3.11Å
214V85.8Confident83.9Confident0 Ų067.5 Ų67.50%037%0.374CS..Hα-helixtrans-64.3-47.1175.61730000110.3Y120 I123 V124 S210 S211 W216 T217 L218 L236Y120-V214 HydrophobicContact CD2-CG2 4.16Å; I123-V214 HydrophobicContact CD1-CG1 3.85Å; V124-V214 HydrophobicContact CG2-CG2 4.22Å; S210-V214 WeakPolarHBondContact O-CB 3.44Å; S210-V214 VanDerWaalsContact O-CG2 3.26Å; S210-V214 WeakPolarHBondContact O-CG2 3.34Å; S210-V214 PolarHBondContact O-N 2.88Å; S211-V214 PolarHBondContact O-N 3.43Å; V214-W216 VanDerWaalsContact C-N 3.31Å; V214-W216 PolarHBondContact O-N 2.93Å; V214-T217 PolarHBondContact O-N 3.36Å; V214-L218 HydrophobicContact CG1-CD1 3.49Å; V214-L218 VanDerWaalsContact CG1-CD1 3.49Å; V214-L218 HydrophobicContact CG1-CG 3.93Å; V214-L218 VanDerWaalsContact O-CB 3.23Å; V214-L218 WeakPolarHBondContact O-CB 3.31Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 3.47Å; V214-L236 HydrophobicContact CB-CD1 3.68Å; V214-L236 HydrophobicContact CG1-CD1 3.37Å; V214-L236 HydrophobicContact CG2-CD1 3.98Å
215F87.8Confident82.4Confident67 Ų6777.4 Ų77.429%0.29441%0.409SS..Hα-helixtrans-60.3-40.7177.8-62.6-28.3000112.3S211 G212 L218 G219 V233 L236 L237S211-F215 WeakPolarHBondContact O-CB 3.47Å; S211-F215 VanDerWaalsContact O-CD2 3.28Å; S211-F215 WeakPolarHBondContact O-CD2 3.43Å; S211-F215 WeakPolarHBondContact O-CG 3.21Å; S211-F215 PolarHBondContact O-N 2.95Å; G212-F215 PolarHBondContact O-N 3.38Å; F215-L218 CarbonylContact O-C 3.04Å; F215-L218 PolarHBondContact O-N 2.84Å; F215-G219 PolarHBondContact O-N 2.88Å; F215-V233 HydrophobicContact CD1-CG1 4.3Å; F215-V233 HydrophobicContact CD1-CG2 4.47Å; F215-V233 HydrophobicContact CE1-CB 4.43Å; F215-V233 HydrophobicContact CE1-CG1 3.88Å; F215-L236 HydrophobicContact CE1-CB 4.15Å; F215-L236 HydrophobicContact CZ-CB 4.19Å; F215-L237 HydrophobicContact CZ-CB 4.37Å
216W86.6Confident81.4Confident181 Ų18177.3 Ų77.369%0.68640%0.404SS*.Hα-helixtrans-62-51.7174.7-177.2-97.7000112.7G212 R213 V214 L218 G219G212-W216 WeakPolarHBondContact O-CB 3.26Å; G212-W216 PolarHBondContact O-N 3.48Å; R213-W216 PolarHBondContact O-N 3.12Å; V214-W216 VanDerWaalsContact C-N 3.31Å; V214-W216 PolarHBondContact O-N 2.93Å; W216-L218 PolarHBondContact O-N 3.41Å; W216-G219 PolarHBondContact O-N 3.28Å; W216-G219 VanDerWaalsContact O-N 3.1Å
217T81.8Confident80.3Confident38 Ų3882.4 Ų82.423%0.23342%0.424CS..Hα-helixtrans-59.4-33.8175.9-63.40000111I123 R213 V214I123-T217 HydrophobicContact CG2-CG2 4.29Å; R213-T217 WeakPolarHBondContact O-CB 3.25Å; R213-T217 PolarHBondContact O-N 2.86Å; R213-T217 PolarHBondContact O-OG1 2.98Å; R213-T217 VanDerWaalsContact O-OG1 3.11Å; V214-T217 PolarHBondContact O-N 3.36Å
218L78.3Confident79.2Confident23 Ų2392.3 Ų92.312%0.1246%0.462CS..Hα-helixtrans-84-9.6179.6-62.8-177.2000114.8I123 V214 F215 W216 R229 V233I123-L218 HydrophobicContact CD1-CD1 4.47Å; I123-L218 HydrophobicContact CG2-CD2 4.05Å; V214-L218 HydrophobicContact CG1-CD1 3.49Å; V214-L218 VanDerWaalsContact CG1-CD1 3.49Å; V214-L218 HydrophobicContact CG1-CG 3.93Å; V214-L218 VanDerWaalsContact O-CB 3.23Å; V214-L218 WeakPolarHBondContact O-CB 3.31Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 3.47Å; F215-L218 CarbonylContact O-C 3.04Å; F215-L218 PolarHBondContact O-N 2.84Å; W216-L218 PolarHBondContact O-N 3.41Å; L218-R229 HydrophobicContact CD1-CG 3.81Å; L218-R229 HydrophobicContact CD2-CG 3.7Å; L218-R229 VanDerWaalsContact CD2-NH2 3.31Å; L218-R229 HydrophobicContact CG-CG 4.2Å; L218-R229 PolarHBondContact O-NE 3.11Å; L218-R229 PolarHBondContact O-NH1 3.02Å; L218-R229 PolarHBondContact O-NH2 2.85Å; L218-V233 HydrophobicContact CD1-CG2 3.44Å; L218-V233 VanDerWaalsContact CD1-CG2 3.44Å
219G77.2Confident78.4Confident62 Ų6290.8 Ų90.864%0.63945%0.448SS*.THydrogen-bonded Turntrans-89.9-6.9177.400000114.2F215 W216F215-G219 PolarHBondContact O-N 2.88Å; W216-G219 PolarHBondContact O-N 3.28Å; W216-G219 VanDerWaalsContact O-N 3.1Å
220R79.1Confident77.6Confident146 Ų14688.5 Ų88.555%0.55144%0.443SS*.  trans-67.5138.6-175.7-67-174.1178.9-172.2-3.5112.4D222 A223R220-D222 VanDerWaalsContact C-N 3.3Å; R220-D222 PolarHBondContact O-N 3.24Å; R220-A223 WeakPolarHBondContact O-CB 3.36Å; R220-A223 PolarHBondContact O-N 3.25Å; R220-A223 VanDerWaalsContact O-N 3.13Å
221P64.9Low77Confident128 Ų12890.8 Ų90.883%0.83145%0.453SS*.THydrogen-bonded Turntrans-56.3-38.8-176.1-24.732.9000114.1A223P221-A223 PolarHBondContact O-N 3.46Å
222D63.4Low76.6Confident162 Ų16291.7 Ų91.787%0.86646%0.459SS*.THydrogen-bonded Turntrans-75.6-2.6-176.8-58.5-39.1000114.3R220 T224R220-D222 VanDerWaalsContact C-N 3.3Å; R220-D222 PolarHBondContact O-N 3.24Å; D222-T224 PolarHBondContact O-N 2.85Å
223A61.6Low76.3Confident34 Ų3491.8 Ų91.828%0.28145%0.451SS..SBendtrans-92.5110.4-172.900000111R220 P221 R225 R229R220-A223 WeakPolarHBondContact O-CB 3.36Å; R220-A223 PolarHBondContact O-N 3.25Å; R220-A223 VanDerWaalsContact O-N 3.13Å; P221-A223 PolarHBondContact O-N 3.46Å; A223-R225 PolarHBondContact O-N 3.27Å; A223-R229 PolarHBondContact O-NH1 2.67Å
224T62.2Low76Confident124 Ų12492.8 Ų92.876%0.76146%0.455SS*.  trans-55130.7-179.650.80000112.6D222 S226D222-T224 PolarHBondContact O-N 2.85Å; T224-S226 VanDerWaalsContact C-N 3.34Å; T224-S226 PolarHBondContact O-N 3.39Å
225R64.8Low76.1Confident241 Ų24193 Ų9391%0.90946%0.456SS*.  trans-79.474.8-175.3-130-178.1-171.2177.73.2111A223A223-R225 PolarHBondContact O-N 3.27Å
226S74.4Confident76.1Confident59 Ų5989.8 Ų89.841%0.41344%0.442SS..  trans-79.7149.4177.873.90000113T224 R228 R229 L230T224-S226 VanDerWaalsContact C-N 3.34Å; T224-S226 PolarHBondContact O-N 3.39Å; S226-R228 PolarHBondContact O-N 3.34Å; S226-R229 WeakPolarHBondContact O-CB 3.3Å; S226-R229 PolarHBondContact O-N 2.94Å; S226-R229 PolarHBondContact OG-N 3.46Å; S226-L230 PolarHBondContact O-N 3.22Å
227Q72.2Confident76.1Confident132 Ų13285.3 Ų85.362%0.61743%0.431SS*.Hα-helixtrans-57.2-31.6173.7-74.6-66.2-26.800112.8K231Q227-K231 WeakPolarHBondContact O-CD 3.46Å; Q227-K231 WeakPolarHBondContact O-CG 3.47Å; Q227-K231 PolarHBondContact O-N 3.45Å
228R72.1Confident76.5Confident207 Ų20784.3 Ų84.378%0.78143%0.427SS*.Hα-helixtrans-66.4-37.1176.8-170.9177-178.8-173.81.9112.3S226 T232S226-R228 PolarHBondContact O-N 3.34Å; R228-T232 PolarHBondContact O-N 2.97Å; R228-T232 PolarHBondContact O-OG1 2.85Å
229R76.6Confident77.1Confident42 Ų4283.2 Ų83.216%0.15842%0.421CS..Hα-helixtrans-66.8-47.4175.8176.4177162.4159.3106.4111.8L218 A223 S226 K231 T232 V233L218-R229 HydrophobicContact CD1-CG 3.81Å; L218-R229 HydrophobicContact CD2-CG 3.7Å; L218-R229 VanDerWaalsContact CD2-NH2 3.31Å; L218-R229 HydrophobicContact CG-CG 4.2Å; L218-R229 PolarHBondContact O-NE 3.11Å; L218-R229 PolarHBondContact O-NH1 3.02Å; L218-R229 PolarHBondContact O-NH2 2.85Å; A223-R229 PolarHBondContact O-NH1 2.67Å; S226-R229 WeakPolarHBondContact O-CB 3.3Å; S226-R229 PolarHBondContact O-N 2.94Å; S226-R229 PolarHBondContact OG-N 3.46Å; R229-K231 VanDerWaalsContact C-N 3.3Å; R229-K231 PolarHBondContact O-N 2.75Å; R229-T232 PolarHBondContact O-N 3.5Å; R229-V233 WeakPolarHBondContact O-CG2 3.36Å; R229-V233 PolarHBondContact O-N 2.92Å
230L77.7Confident77.7Confident73 Ų7381.7 Ų81.738%0.38240%0.398SS..Hα-helixtrans-60.3-40.5178.7-173.164.5000112S226 T232 V233 R234S226-L230 PolarHBondContact O-N 3.22Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.38Å; L230-V233 PolarHBondContact O-N 2.93Å; L230-R234 WeakPolarHBondContact O-CG 3.5Å; L230-R234 PolarHBondContact O-N 2.89Å
231K80.1Confident78.3Confident50 Ų5078.3 Ų78.322%0.21739%0.394CS..Hα-helixtrans-60.1-42.1173.6-72.6166.3-175.9161.50112.1Q227 R229 R234 L235 E302Q227-K231 WeakPolarHBondContact O-CD 3.46Å; Q227-K231 WeakPolarHBondContact O-CG 3.47Å; Q227-K231 PolarHBondContact O-N 3.45Å; R229-K231 VanDerWaalsContact C-N 3.3Å; R229-K231 PolarHBondContact O-N 2.75Å; K231-R234 PolarHBondContact O-N 3.34Å; K231-L235 WeakPolarHBondContact O-CB 3.44Å; K231-L235 PolarHBondContact O-N 3.43Å; K231-E302 IonicContact NZ-OE1 3.65Å; K231-E302 PolarHBondContact NZ-OE1 3.13Å
232T82.4Confident79.5Confident21 Ų2172.5 Ų72.513%0.12936%0.355CS..Hα-helixtrans-67.8-40.5178.7-53.60000111.5R119 I123 R228 R229 L230 L235 L236R119-T232 HydrophobicContact CB-CG2 4.28Å; R119-T232 HydrophobicContact CG-CG2 4.36Å; I123-T232 HydrophobicContact CD1-CG2 3.47Å; I123-T232 VanDerWaalsContact CD1-CG2 3.47Å; R228-T232 PolarHBondContact O-N 2.97Å; R228-T232 PolarHBondContact O-OG1 2.85Å; R229-T232 PolarHBondContact O-N 3.5Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.38Å; T232-L235 WeakPolarHBondContact O-CB 3.28Å; T232-L235 PolarHBondContact O-N 3Å; T232-L236 HydrophobicContact CG2-CD1 4.12Å; T232-L236 HydrophobicContact CG2-CG 4.36Å; T232-L236 VanDerWaalsContact O-CG 3.3Å; T232-L236 WeakPolarHBondContact O-CG 3.49Å; T232-L236 PolarHBondContact O-N 3.39Å
233V83.2Confident80.9Confident40 Ų4064.8 Ų64.824%0.24231%0.314CS..Hα-helixtrans-60.6-46.9173.9171.50000111.1F215 L218 R229 L230 L235 L236 L237F215-V233 HydrophobicContact CD1-CG1 4.3Å; F215-V233 HydrophobicContact CD1-CG2 4.47Å; F215-V233 HydrophobicContact CE1-CB 4.43Å; F215-V233 HydrophobicContact CE1-CG1 3.88Å; L218-V233 HydrophobicContact CD1-CG2 3.44Å; L218-V233 VanDerWaalsContact CD1-CG2 3.44Å; R229-V233 WeakPolarHBondContact O-CG2 3.36Å; R229-V233 PolarHBondContact O-N 2.92Å; L230-V233 PolarHBondContact O-N 2.93Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.15Å; V233-L236 PolarHBondContact O-N 3.23Å; V233-L237 VanDerWaalsContact O-CB 3.26Å; V233-L237 WeakPolarHBondContact O-CB 3.31Å; V233-L237 PolarHBondContact O-N 3.09Å
234R84.6Confident82.3Confident119 Ų11967.2 Ų67.245%0.44932%0.322SS..Hα-helixtrans-60.5-41177.1-71.8176.5-174.9166.7-0.7112.3L230 K231 A238 F299L230-R234 WeakPolarHBondContact O-CG 3.5Å; L230-R234 PolarHBondContact O-N 2.89Å; K231-R234 PolarHBondContact O-N 3.34Å; R234-A238 VanDerWaalsContact O-CB 3.28Å; R234-A238 WeakPolarHBondContact O-CB 3.49Å; R234-A238 PolarHBondContact O-N 2.79Å; R234-F299 HydrophobicContact CB-CD1 4.12Å; R234-F299 HydrophobicContact CB-CD2 4.37Å; R234-F299 HydrophobicContact CB-CE1 4.44Å; R234-F299 HydrophobicContact CB-CG 4.11Å
235L87.4Confident83.8Confident3 Ų365.1 Ų65.12%0.01631%0.306CS..Hα-helixtrans-60.9-51.4175.6176.666.1000111.9M61 I115 R119 K231 T232 V233 L237 A238 N239 V296 F299M61-L235 HydrophobicContact CE-CD1 4.35Å; I115-L235 HydrophobicContact CG2-CD2 4.39Å; R119-L235 HydrophobicContact CG-CD2 4.06Å; K231-L235 WeakPolarHBondContact O-CB 3.44Å; K231-L235 PolarHBondContact O-N 3.43Å; T232-L235 WeakPolarHBondContact O-CB 3.28Å; T232-L235 PolarHBondContact O-N 3Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.15Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.18Å; L235-A238 PolarHBondContact O-N 3.06Å; L235-N239 PolarHBondContact O-N 3.3Å; L235-N239 PolarHBondContact O-OD1 3.36Å; L235-V296 HydrophobicContact CD1-CB 4.31Å; L235-V296 HydrophobicContact CD1-CG1 3.53Å; L235-V296 VanDerWaalsContact CD1-O 3.28Å; L235-V296 WeakPolarHBondContact CD1-O 3.47Å; L235-F299 HydrophobicContact CB-CB 4.16Å; L235-F299 HydrophobicContact CD1-CB 4.39Å
236L87.6Confident85.1Confident0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-64.9-40-179.6-65.2175.3000111.6N116 R119 V214 F215 T232 V233 N239 L240N116-L236 HydrophobicContact CB-CD2 4.15Å; N116-L236 WeakPolarHBondContact OD1-CD2 3.45Å; R119-L236 HydrophobicContact CB-CD2 3.83Å; R119-L236 HydrophobicContact CG-CD2 4.3Å; V214-L236 HydrophobicContact CB-CD1 3.68Å; V214-L236 HydrophobicContact CG1-CD1 3.37Å; V214-L236 HydrophobicContact CG2-CD1 3.98Å; F215-L236 HydrophobicContact CE1-CB 4.15Å; F215-L236 HydrophobicContact CZ-CB 4.19Å; T232-L236 HydrophobicContact CG2-CD1 4.12Å; T232-L236 HydrophobicContact CG2-CG 4.36Å; T232-L236 VanDerWaalsContact O-CG 3.3Å; T232-L236 WeakPolarHBondContact O-CG 3.49Å; T232-L236 PolarHBondContact O-N 3.39Å; V233-L236 PolarHBondContact O-N 3.23Å; L236-N239 PolarHBondContact O-N 3.19Å; L236-L240 WeakPolarHBondContact O-CB 3.22Å; L236-L240 PolarHBondContact O-N 3.07Å
237L87.4Confident86.1Confident87 Ų8750.8 Ų50.846%0.45524%0.243SC..Hα-helixtrans-63.5-45175.2-177.763.7000111.3F215 V233 L235 N239 L240 V241F215-L237 HydrophobicContact CZ-CB 4.37Å; V233-L237 VanDerWaalsContact O-CB 3.26Å; V233-L237 WeakPolarHBondContact O-CB 3.31Å; V233-L237 PolarHBondContact O-N 3.09Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.18Å; L237-N239 PolarHBondContact O-N 2.84Å; L237-L240 PolarHBondContact O-N 2.98Å; L237-V241 HydrophobicContact CD1-CG2 4.24Å; L237-V241 HydrophobicContact CG-CG2 4.43Å; L237-V241 WeakPolarHBondContact O-CB 3.45Å; L237-V241 VanDerWaalsContact O-CG2 3.28Å; L237-V241 WeakPolarHBondContact O-CG2 3.42Å; L237-V241 PolarHBondContact O-N 2.94Å
238A88.9Confident87.1Confident17 Ų1746.4 Ų46.414%0.1423%0.225CC..Hα-helixtrans-58.9-48.2175.500000110.9R234 L235 L240 V241 I242 F299R234-A238 VanDerWaalsContact O-CB 3.28Å; R234-A238 WeakPolarHBondContact O-CB 3.49Å; R234-A238 PolarHBondContact O-N 2.79Å; L235-A238 PolarHBondContact O-N 3.06Å; A238-L240 VanDerWaalsContact C-N 3.34Å; A238-L240 PolarHBondContact O-N 3.32Å; A238-V241 PolarHBondContact O-N 3.29Å; A238-I242 WeakPolarHBondContact O-CB 3.49Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.36Å; A238-I242 PolarHBondContact O-N 3.12Å; A238-F299 HydrophobicContact CB-CD2 4.04Å; A238-F299 HydrophobicContact CB-CE2 4.25Å
239N90.1Very high88.2Confident0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-59.2-44.6176.9-70.92.9000112.2L112 N116 L235 L236 L237 I242 F243 V296L112-N239 HydrophobicContact CD2-CB 4.45Å; N116-N239 WeakPolarHBondContact ND2-CB 3.29Å; N116-N239 PolarHBondContact ND2-ND2 3.12Å; L235-N239 PolarHBondContact O-N 3.3Å; L235-N239 PolarHBondContact O-OD1 3.36Å; L236-N239 PolarHBondContact O-N 3.19Å; L237-N239 PolarHBondContact O-N 2.84Å; N239-I242 PolarHBondContact O-N 3.12Å; N239-F243 WeakPolarHBondContact O-CB 3.43Å; N239-F243 PolarHBondContact O-N 3.36Å; N239-V296 WeakPolarHBondContact OD1-CG1 3.44Å; N239-V296 WeakPolarHBondContact OD1-CG2 3.4Å
240L90.9Very high89Confident30 Ų3036.6 Ų36.616%0.15719%0.192CC..Hα-helixtrans-63-45.7178.9179.864.4000111.3V207 V208 L236 L237 A238 F243 L244V207-L240 HydrophobicContact CG1-CD1 4.03Å; V208-L240 HydrophobicContact CG2-CD1 4.1Å; L236-L240 WeakPolarHBondContact O-CB 3.22Å; L236-L240 PolarHBondContact O-N 3.07Å; L237-L240 PolarHBondContact O-N 2.98Å; A238-L240 VanDerWaalsContact C-N 3.34Å; A238-L240 PolarHBondContact O-N 3.32Å; L240-F243 WeakPolarHBondContact O-CB 3.44Å; L240-F243 PolarHBondContact O-N 2.91Å; L240-L244 HydrophobicContact CD1-CD1 4Å; L240-L244 HydrophobicContact CD1-CG 4.11Å; L240-L244 HydrophobicContact CG-CD1 3.98Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 VanDerWaalsContact O-CG 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.49Å
241V91Very high89.7Confident76 Ų7633.2 Ų33.246%0.46118%0.175SC..Hα-helixtrans-61.8-46.7178.1169.30000110.7L237 A238 F243 L244 L245L237-V241 HydrophobicContact CD1-CG2 4.24Å; L237-V241 HydrophobicContact CG-CG2 4.43Å; L237-V241 WeakPolarHBondContact O-CB 3.45Å; L237-V241 VanDerWaalsContact O-CG2 3.28Å; L237-V241 WeakPolarHBondContact O-CG2 3.42Å; L237-V241 PolarHBondContact O-N 2.94Å; A238-V241 PolarHBondContact O-N 3.29Å; V241-F243 VanDerWaalsContact C-N 3.27Å; V241-F243 PolarHBondContact O-N 3.22Å; V241-L244 PolarHBondContact O-N 2.88Å; V241-L245 WeakPolarHBondContact O-CB 3.31Å; V241-L245 PolarHBondContact O-N 3.36Å
242I91.4Very high90.3Very high5 Ų533.1 Ų33.13%0.02618%0.183CC..Hα-helixtrans-59.4-42.5175.6-65.9166.7000109.9L112 A238 N239 L244 L245 C246 F247 L292 V296L112-I242 HydrophobicContact CD1-CG2 4.1Å; A238-I242 WeakPolarHBondContact O-CB 3.49Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.36Å; A238-I242 PolarHBondContact O-N 3.12Å; N239-I242 PolarHBondContact O-N 3.12Å; I242-L244 PolarHBondContact O-N 3.29Å; I242-L245 PolarHBondContact O-N 2.93Å; I242-C246 VanDerWaalsContact O-CB 3.3Å; I242-C246 WeakPolarHBondContact O-CB 3.44Å; I242-C246 PolarHBondContact O-N 3.36Å; I242-F247 HydrophobicContact CG2-CE2 4.01Å; I242-L292 HydrophobicContact CD1-CB 3.87Å; I242-L292 HydrophobicContact CG1-CB 3.82Å; I242-L292 HydrophobicContact CG1-CD1 4.26Å; I242-V296 HydrophobicContact CD1-CG2 3.54Å
243F91.2Very high90.7Very high0 Ų033.1 Ų33.10%018%0.183CC..Iπ-helixtrans-58.3-52.5178.6-140.7-75000112.4C109 L112 F200 P203 L204 V207 N239 L240 V241 F247 V248C109-F243 HydrophobicContact CB-CE2 3.94Å; C109-F243 HydrophobicContact CB-CZ 3.72Å; L112-F243 HydrophobicContact CB-CD2 4.42Å; L112-F243 HydrophobicContact CD1-CD2 4.41Å; F200-F243 AromaticContact CD2-CE1 3.89Å; F200-F243 HydrophobicContact CD2-CE1 3.89Å; F200-F243 HydrophobicContact CD2-CZ 4.49Å; F200-F243 HydrophobicContact CE2-CD1 4.48Å; F200-F243 AromaticContact CE2-CE1 3.83Å; F200-F243 HydrophobicContact CE2-CE1 3.83Å; P203-F243 HydrophobicContact CB-CE2 4.02Å; P203-F243 HydrophobicContact CB-CZ 3.6Å; L204-F243 HydrophobicContact CB-CD1 4.33Å; L204-F243 HydrophobicContact CB-CE1 3.8Å; L204-F243 HydrophobicContact CD1-CD1 3.71Å; L204-F243 HydrophobicContact CD1-CE1 4.06Å; V207-F243 HydrophobicContact CG2-CD2 4.07Å; V207-F243 HydrophobicContact CG2-CE2 4.23Å; N239-F243 WeakPolarHBondContact O-CB 3.43Å; N239-F243 PolarHBondContact O-N 3.36Å; L240-F243 WeakPolarHBondContact O-CB 3.44Å; L240-F243 PolarHBondContact O-N 2.91Å; V241-F243 VanDerWaalsContact C-N 3.27Å; V241-F243 PolarHBondContact O-N 3.22Å; F243-F247 HydrophobicContact CD1-CB 4.41Å; F243-F247 HydrophobicContact CE1-CB 4.34Å; F243-F247 HydrophobicContact CG-CD2 4.44Å; F243-F247 PolarHBondContact O-N 3.2Å; F243-F247 VanDerWaalsContact O-N 3.14Å; F243-V248 HydrophobicContact CD1-CG2 4.5Å; F243-V248 PolarHBondContact O-N 3.29Å
244L92.3Very high90.9Very high85 Ų8531.8 Ų31.845%0.44518%0.175SC..Iπ-helixtrans-70.7-32.4-176.5-65.9178.3000112.9L204 L240 V241 I242 V248 P249L204-L244 HydrophobicContact CD1-CD2 4.16Å; L240-L244 HydrophobicContact CD1-CD1 4Å; L240-L244 HydrophobicContact CD1-CG 4.11Å; L240-L244 HydrophobicContact CG-CD1 3.98Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 VanDerWaalsContact O-CG 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.49Å; V241-L244 PolarHBondContact O-N 2.88Å; I242-L244 PolarHBondContact O-N 3.29Å; L244-V248 HydrophobicContact CD2-CG2 3.94Å; L244-P249 VanDerWaalsContact O-CD 3.3Å; L244-P249 WeakPolarHBondContact O-CD 3.47Å
245L92.6Very high91.1Very high80 Ų8028.3 Ų28.342%0.41917%0.171SC..Iπ-helixtrans-85.4-46.7-177.2-173.5133.4000111.6V241 I242 P249 L285 L292V241-L245 WeakPolarHBondContact O-CB 3.31Å; V241-L245 PolarHBondContact O-N 3.36Å; I242-L245 PolarHBondContact O-N 2.93Å; L245-P249 WeakPolarHBondContact O-CD 3.49Å; L245-P249 WeakPolarHBondContact O-CG 3.42Å; L245-L285 HydrophobicContact CD2-CD1 3.63Å; L245-L285 HydrophobicContact CD2-CG 4.25Å; L245-L285 HydrophobicContact CG-CD1 4.3Å; L245-L285 WeakPolarHBondContact O-CD2 3.44Å; L245-L285 VanDerWaalsContact O-CG 3.29Å; L245-L285 WeakPolarHBondContact O-CG 3.04Å; L245-L292 HydrophobicContact CD2-CD1 4.11Å
246C93.4Very high91.2Very high0 Ų031.3 Ų31.30%019%0.19CC..Iπ-helixtrans-87.4-39.3-173.4-68.30000113.5I242 L285 A286 N289I242-C246 VanDerWaalsContact O-CB 3.3Å; I242-C246 WeakPolarHBondContact O-CB 3.44Å; I242-C246 PolarHBondContact O-N 3.36Å; C246-L285 PolarHBondContact SG-O 2.97Å; C246-A286 WeakPolarHBondContact O-CA 3.38Å; C246-A286 WeakPolarHBondContact O-CB 3.01Å; C246-A286 PolarHBondContact O-N 2.76Å; C246-N289 HydrophobicContact CB-CB 3.93Å
247F93.9Very high91.1Very high0 Ų031.4 Ų31.40%019%0.19CC..Iπ-helixtrans-104.2-40.2-167-55-81.8000113.3M105 C109 L112 F200 I242 F243 Y250 N251 N289M105-F247 HydrophobicContact CG-CD1 3.84Å; M105-F247 HydrophobicContact CG-CE1 4.13Å; C109-F247 WeakPolarHBondContact SG-CD1 3.4Å; C109-F247 VanDerWaalsContact SG-CG 3.52Å; L112-F247 HydrophobicContact CD1-CE2 3.89Å; L112-F247 HydrophobicContact CD1-CZ 4.42Å; F200-F247 HydrophobicContact CD2-CB 4.3Å; F200-F247 HydrophobicContact CE2-CB 4.14Å; I242-F247 HydrophobicContact CG2-CE2 4.01Å; F243-F247 HydrophobicContact CD1-CB 4.41Å; F243-F247 HydrophobicContact CE1-CB 4.34Å; F243-F247 HydrophobicContact CG-CD2 4.44Å; F243-F247 PolarHBondContact O-N 3.2Å; F243-F247 VanDerWaalsContact O-N 3.14Å; F247-Y250 PolarHBondContact O-N 3.42Å; F247-N251 PolarHBondContact O-N 3.49Å; F247-N251 PolarHBondContact O-ND2 3.4Å; F247-N289 HydrophobicContact CE1-CB 4.27Å; F247-N289 HydrophobicContact CE2-CB 4.2Å; F247-N289 HydrophobicContact CZ-CB 3.67Å
248V94.3Very high90.9Very high40 Ų4027.4 Ų27.424%0.24217%0.17CC..Hα-helixtrans-59.6-47.5-178.9177.30000112.9F200 L204 F243 L244 Y250 N251 A252F200-V248 HydrophobicContact CE2-CB 4.48Å; F200-V248 HydrophobicContact CE2-CG2 3.95Å; F200-V248 HydrophobicContact CZ-CB 4.23Å; F200-V248 HydrophobicContact CZ-CG2 3.87Å; L204-V248 HydrophobicContact CD1-CG2 3.93Å; L204-V248 HydrophobicContact CD2-CG2 4.23Å; F243-V248 HydrophobicContact CD1-CG2 4.5Å; F243-V248 PolarHBondContact O-N 3.29Å; L244-V248 HydrophobicContact CD2-CG2 3.94Å; V248-Y250 VanDerWaalsContact C-N 3.33Å; V248-Y250 PolarHBondContact O-N 2.87Å; V248-N251 PolarHBondContact O-N 3.3Å; V248-A252 WeakPolarHBondContact O-CB 3.35Å; V248-A252 PolarHBondContact O-N 3.23Å
249P95Very high90.8Very high36 Ų3630.2 Ų30.223%0.23418%0.182CC..Hα-helixtrans-64.9-39-176-23.837.3000112.1L244 L245 T253 M282 L285L244-P249 VanDerWaalsContact O-CD 3.3Å; L244-P249 WeakPolarHBondContact O-CD 3.47Å; L245-P249 WeakPolarHBondContact O-CD 3.49Å; L245-P249 WeakPolarHBondContact O-CG 3.42Å; P249-T253 VanDerWaalsContact O-CB 3.31Å; P249-T253 WeakPolarHBondContact O-CB 3.33Å; P249-T253 PolarHBondContact O-N 2.95Å; P249-T253 VanDerWaalsContact O-N 3.1Å; P249-T253 PolarHBondContact O-OG1 3.31Å; P249-M282 HydrophobicContact CB-CG 4.2Å; P249-M282 HydrophobicContact CB-SD 3.43Å; P249-M282 WeakPolarHBondContact CB-SD 3.47Å; P249-L285 HydrophobicContact CG-CD2 4.28Å
250Y93.1Very high90.6Very high7 Ų731.4 Ų31.43%0.02719%0.188CC..Hα-helixtrans-65.7-55.4176.9175.2-93.7000112F101 M105 F247 V248 A252 T253 L254 L279 M282 V283 A286F101-Y250 HydrophobicContact CE1-CE2 4.46Å; F101-Y250 HydrophobicContact CZ-CE2 4.48Å; M105-Y250 HydrophobicContact CE-CD1 4.03Å; M105-Y250 HydrophobicContact CE-CE1 3.64Å; M105-Y250 HydrophobicContact SD-CD1 3.26Å; M105-Y250 WeakPolarHBondContact SD-CD1 3.11Å; M105-Y250 HydrophobicContact SD-CE1 3.17Å; M105-Y250 WeakPolarHBondContact SD-CE1 3.06Å; M105-Y250 HydrophobicContact SD-CG 4.3Å; F247-Y250 PolarHBondContact O-N 3.42Å; V248-Y250 VanDerWaalsContact C-N 3.33Å; V248-Y250 PolarHBondContact O-N 2.87Å; Y250-A252 VanDerWaalsContact C-N 3.34Å; Y250-A252 PolarHBondContact O-N 3.21Å; Y250-T253 PolarHBondContact O-N 2.9Å; Y250-L254 HydrophobicContact CE1-CD2 3.87Å; Y250-L254 WeakPolarHBondContact O-CB 3.29Å; Y250-L254 PolarHBondContact O-N 3.21Å; Y250-L279 HydrophobicContact CD2-CD1 3.87Å; Y250-L279 HydrophobicContact CE2-CD1 3.7Å; Y250-M282 HydrophobicContact CD2-CB 4.3Å; Y250-V283 HydrophobicContact CD2-CB 4.18Å; Y250-V283 HydrophobicContact CD2-CG2 4.37Å; Y250-V283 HydrophobicContact CE2-CB 3.99Å; Y250-V283 HydrophobicContact CE2-CG2 3.82Å; Y250-A286 HydrophobicContact CD2-CB 4.37Å; Y250-A286 HydrophobicContact CG-CB 4.05Å
251N92.2Very high90.1Very high1 Ų132.6 Ų32.61%0.00519%0.19CC..Hα-helixtrans-67.3-35.8-175.2-69.1-68.1000111.9M105 E196 F200 F247 V248 L254 A255M105-N251 WeakPolarHBondContact CE-OD1 3.45Å; E196-N251 PolarHBondContact OE1-OD1 2.91Å; E196-N251 PolarHBondContact OE2-OD1 3.47Å; F200-N251 HydrophobicContact CD1-CB 3.53Å; F200-N251 HydrophobicContact CD2-CB 3.98Å; F200-N251 VanDerWaalsContact CD2-ND2 3.33Å; F200-N251 WeakPolarHBondContact CD2-ND2 3.43Å; F200-N251 HydrophobicContact CE1-CB 3.6Å; F200-N251 HydrophobicContact CE2-CB 4.03Å; F200-N251 HydrophobicContact CG-CB 3.74Å; F200-N251 HydrophobicContact CZ-CB 3.85Å; F247-N251 PolarHBondContact O-N 3.49Å; F247-N251 PolarHBondContact O-ND2 3.4Å; V248-N251 PolarHBondContact O-N 3.3Å; N251-L254 PolarHBondContact O-N 3.05Å; N251-A255 WeakPolarHBondContact O-CB 3.22Å; N251-A255 PolarHBondContact O-N 3.45Å
252A92.3Very high89.6Confident48 Ų4830.1 Ų30.140%0.39718%0.176SC..Hα-helixtrans-62.8-45.1172.800000111.7V248 Y250 L254 A255 V256V248-A252 WeakPolarHBondContact O-CB 3.35Å; V248-A252 PolarHBondContact O-N 3.23Å; Y250-A252 VanDerWaalsContact C-N 3.34Å; Y250-A252 PolarHBondContact O-N 3.21Å; A252-L254 VanDerWaalsContact C-N 3.35Å; A252-A255 PolarHBondContact O-N 3.03Å; A252-V256 WeakPolarHBondContact O-CG2 3.43Å; A252-V256 PolarHBondContact O-N 3.13Å
253T91.6Very high89.2Confident22 Ų2238 Ų3814%0.13521%0.21CC..Hα-helixtrans-66.3-39177.8-53.70000111.3P249 Y250 V256 Y257 V275 V278 L279P249-T253 VanDerWaalsContact O-CB 3.31Å; P249-T253 WeakPolarHBondContact O-CB 3.33Å; P249-T253 PolarHBondContact O-N 2.95Å; P249-T253 VanDerWaalsContact O-N 3.1Å; P249-T253 PolarHBondContact O-OG1 3.31Å; Y250-T253 PolarHBondContact O-N 2.9Å; T253-V256 PolarHBondContact O-N 3.25Å; T253-Y257 VanDerWaalsContact O-CB 3.3Å; T253-Y257 WeakPolarHBondContact O-CB 3.31Å; T253-Y257 PolarHBondContact O-N 3.04Å; T253-V275 HydrophobicContact CG2-CG1 4.05Å; T253-V278 HydrophobicContact CG2-CB 4.26Å; T253-V278 HydrophobicContact CG2-CG1 3.97Å; T253-L279 HydrophobicContact CG2-CB 3.86Å; T253-L279 HydrophobicContact CG2-CD1 4.17Å
254L88.3Confident88.7Confident11 Ų1144 Ų446%0.05824%0.241CC..Hα-helixtrans-63.5-42.5176.4-174.864.6000111.5F179 W184 Y250 N251 A252 Y257 G258 L279F179-L254 HydrophobicContact CE1-CD1 4.5Å; W184-L254 HydrophobicContact CH2-CD1 4.39Å; W184-L254 HydrophobicContact CH2-CG 4.23Å; W184-L254 HydrophobicContact CZ2-CD1 3.92Å; W184-L254 HydrophobicContact CZ2-CG 4.26Å; Y250-L254 HydrophobicContact CE1-CD2 3.87Å; Y250-L254 WeakPolarHBondContact O-CB 3.29Å; Y250-L254 PolarHBondContact O-N 3.21Å; N251-L254 PolarHBondContact O-N 3.05Å; A252-L254 VanDerWaalsContact C-N 3.35Å; L254-Y257 WeakPolarHBondContact O-CB 3.06Å; L254-Y257 PolarHBondContact O-N 3.43Å; L254-G258 PolarHBondContact O-N 3.1Å; L254-L279 HydrophobicContact CB-CD1 4.09Å; L254-L279 HydrophobicContact CD1-CD1 4.33Å; L254-L279 HydrophobicContact CD1-CD2 4.08Å
255A88.3Confident88.4Confident46 Ų4643.4 Ų43.438%0.3824%0.241SC..Hα-helixtrans-62-47.217500000111.6N251 A252 Y257 G258 L259N251-A255 WeakPolarHBondContact O-CB 3.22Å; N251-A255 PolarHBondContact O-N 3.45Å; A252-A255 PolarHBondContact O-N 3.03Å; A255-Y257 VanDerWaalsContact C-N 3.34Å; A255-Y257 PolarHBondContact O-N 3.15Å; A255-G258 PolarHBondContact O-N 3.28Å; A255-L259 WeakPolarHBondContact O-CG 3.38Å; A255-L259 PolarHBondContact O-N 2.88Å
256V89.2Confident88Confident67 Ų6744.6 Ų44.641%0.40626%0.262SS..Hα-helixtrans-59.8-46.1175.7172.10000110.9A252 T253 G258 L259 Q260 V275A252-V256 WeakPolarHBondContact O-CG2 3.43Å; A252-V256 PolarHBondContact O-N 3.13Å; T253-V256 PolarHBondContact O-N 3.25Å; V256-G258 VanDerWaalsContact C-N 3.26Å; V256-G258 PolarHBondContact O-N 3.34Å; V256-L259 PolarHBondContact O-N 3Å; V256-Q260 WeakPolarHBondContact O-CG 3.23Å; V256-Q260 PolarHBondContact O-N 3.27Å; V256-V275 HydrophobicContact CG1-CG1 4.24Å; V256-V275 HydrophobicContact CG1-CG2 4.32Å
257Y86.6Confident87.6Confident2 Ų246.1 Ų46.11%0.00828%0.275CS..Hα-helixtrans-57.7-42176.6-174.2-103.3000111.7F179 W184 T253 L254 A255 Q260 R261 V275 R276 L279F179-Y257 HydrophobicContact CB-CE1 3.58Å; F179-Y257 HydrophobicContact CD2-CE1 4.42Å; F179-Y257 AromaticContact CG-CE1 3.99Å; F179-Y257 HydrophobicContact CG-CE1 3.99Å; W184-Y257 HydrophobicContact CZ2-CD1 4.48Å; T253-Y257 VanDerWaalsContact O-CB 3.3Å; T253-Y257 WeakPolarHBondContact O-CB 3.31Å; T253-Y257 PolarHBondContact O-N 3.04Å; L254-Y257 WeakPolarHBondContact O-CB 3.06Å; L254-Y257 PolarHBondContact O-N 3.43Å; A255-Y257 VanDerWaalsContact C-N 3.34Å; A255-Y257 PolarHBondContact O-N 3.15Å; Y257-Q260 PolarHBondContact O-N 2.96Å; Y257-R261 HydrophobicContact CD1-CG 4.12Å; Y257-R261 HydrophobicContact CE1-CG 3.8Å; Y257-R261 HydrophobicContact CE2-CG 4.48Å; Y257-R261 WeakPolarHBondContact O-CB 3.1Å; Y257-R261 VanDerWaalsContact O-CG 3.29Å; Y257-R261 WeakPolarHBondContact O-CG 3.17Å; Y257-R261 PolarHBondContact O-N 2.77Å; Y257-R261 PolarHBondContact OH-NE 2.02Å; Y257-R261 VanDerWaalsContact OH-NE 3.12Å; Y257-R261 PolarHBondContact OH-NH2 2.91Å; Y257-V275 HydrophobicContact CD2-CG1 3.98Å; Y257-V275 HydrophobicContact CG-CG1 4.46Å; Y257-R276 HydrophobicContact CE2-CB 3.89Å; Y257-R276 HydrophobicContact CE2-CG 4.34Å; Y257-L279 HydrophobicContact CD1-CD2 4.33Å; Y257-L279 HydrophobicContact CG-CD2 4.27Å
258G83.3Confident87.4Confident2 Ų249.6 Ų49.62%0.02130%0.299CS..Hα-helixtrans-65.4-42.8176.700000114.8W184 L254 A255 V256 Q260 R261 S262W184-G258 VanDerWaalsContact CE2-CA 3.49Å; W184-G258 VanDerWaalsContact CH2-CA 3.5Å; L254-G258 PolarHBondContact O-N 3.1Å; A255-G258 PolarHBondContact O-N 3.28Å; V256-G258 VanDerWaalsContact C-N 3.26Å; V256-G258 PolarHBondContact O-N 3.34Å; G258-Q260 VanDerWaalsContact C-N 3.3Å; G258-Q260 PolarHBondContact O-N 3.33Å; G258-R261 PolarHBondContact O-N 3.12Å; G258-S262 WeakPolarHBondContact O-CB 3.33Å; G258-S262 PolarHBondContact O-N 2.87Å; G258-S262 PolarHBondContact O-OG 3.14Å
259L85.7Confident86.9Confident77 Ų7751.6 Ų51.640%0.40331%0.312SS..Hα-helixtrans-62.1-38.5175.4-70.3174000111.9A255 V256 S262 L264 V265A255-L259 WeakPolarHBondContact O-CG 3.38Å; A255-L259 PolarHBondContact O-N 2.88Å; V256-L259 PolarHBondContact O-N 3Å; L259-S262 WeakPolarHBondContact CA-OG 3.24Å; L259-S262 PolarHBondContact O-OG 3.4Å; L259-S262 VanDerWaalsContact O-OG 3.12Å; L259-L264 HydrophobicContact CD2-CB 4.27Å; L259-L264 HydrophobicContact CD2-CD1 3.91Å; L259-L264 PolarHBondContact O-N 3.49Å; L259-V265 HydrophobicContact CB-CB 4.47Å; L259-V265 HydrophobicContact CB-CG2 4.03Å; L259-V265 PolarHBondContact O-N 2.88Å; L259-V265 VanDerWaalsContact O-N 3.17Å
260Q85.9Confident86.6Confident25 Ų2554.3 Ų54.312%0.11733%0.329CS..Hα-helixtrans-70.1-39.4175.2-67.4178.9-16.300112.2V256 Y257 G258 K263 A267 R272V256-Q260 WeakPolarHBondContact O-CG 3.23Å; V256-Q260 PolarHBondContact O-N 3.27Å; Y257-Q260 PolarHBondContact O-N 2.96Å; G258-Q260 VanDerWaalsContact C-N 3.3Å; G258-Q260 PolarHBondContact O-N 3.33Å; Q260-K263 PolarHBondContact O-N 3.25Å; Q260-A267 HydrophobicContact CB-CB 4.13Å; Q260-A267 HydrophobicContact CG-CB 3.75Å; Q260-R272 HydrophobicContact CB-CG 4.07Å
261R81.7Confident86.4Confident54 Ų5455.7 Ų55.720%0.20434%0.342CS..Hα-helixtrans-71.6-36.4179.7-78.3-77.3-171.5175.72113.2D181 W184 Y257 G258 K263D181-R261 VanDerWaalsContact OD1-CD 3.29Å; D181-R261 WeakPolarHBondContact OD1-CD 3.29Å; D181-R261 IonicContact OD1-CZ 2.85Å; D181-R261 IonicContact OD1-NE 2.84Å; D181-R261 IonicContact OD1-NH1 3.59Å; D181-R261 PolarHBondContact OD1-NH1 3.5Å; D181-R261 IonicContact OD2-NH1 3.98Å; W184-R261 HydrophobicContact CB-CB 3.8Å; W184-R261 HydrophobicContact CG-CB 3.74Å; Y257-R261 HydrophobicContact CD1-CG 4.12Å; Y257-R261 HydrophobicContact CE1-CG 3.8Å; Y257-R261 HydrophobicContact CE2-CG 4.48Å; Y257-R261 WeakPolarHBondContact O-CB 3.1Å; Y257-R261 VanDerWaalsContact O-CG 3.29Å; Y257-R261 WeakPolarHBondContact O-CG 3.17Å; Y257-R261 PolarHBondContact O-N 2.77Å; Y257-R261 PolarHBondContact OH-NE 2.02Å; Y257-R261 VanDerWaalsContact OH-NE 3.12Å; Y257-R261 PolarHBondContact OH-NH2 2.91Å; G258-R261 PolarHBondContact O-N 3.12Å; R261-K263 PolarHBondContact O-N 2.89Å
262S80.4Confident86Confident24 Ų2459.1 Ų59.117%0.16836%0.355CS..THydrogen-bonded Turntrans-74.4-2.4175.3560000113.7W184 G258 L259 L264W184-S262 VanDerWaalsContact O-CB 3.31Å; W184-S262 WeakPolarHBondContact O-CB 3.37Å; G258-S262 WeakPolarHBondContact O-CB 3.33Å; G258-S262 PolarHBondContact O-N 2.87Å; G258-S262 PolarHBondContact O-OG 3.14Å; L259-S262 WeakPolarHBondContact CA-OG 3.24Å; L259-S262 PolarHBondContact O-OG 3.4Å; L259-S262 VanDerWaalsContact O-OG 3.12Å; S262-L264 PolarHBondContact O-N 3.15Å; S262-L264 WeakPolarHBondContact OG-CG 3.37Å
263K81.9Confident85.7Confident172 Ų17261.1 Ų61.175%0.74836%0.359SS*.THydrogen-bonded Turntrans60.417.1-175.3-52.8-177.9179.2-179.20114.2Q260 R261 V265Q260-K263 PolarHBondContact O-N 3.25Å; R261-K263 PolarHBondContact O-N 2.89Å; K263-V265 VanDerWaalsContact C-N 3.29Å
264L81.6Confident85.6Confident125 Ų12569.4 Ų69.465%0.65439%0.388SS*.SBendtrans-70.6-30171.3-69.2178.1000111.5L259 S262L259-L264 HydrophobicContact CD2-CB 4.27Å; L259-L264 HydrophobicContact CD2-CD1 3.91Å; L259-L264 PolarHBondContact O-N 3.49Å; S262-L264 PolarHBondContact O-N 3.15Å; S262-L264 WeakPolarHBondContact OG-CG 3.37Å
265V84.9Confident85.7Confident72 Ų7270.1 Ų70.144%0.43639%0.392SS..SBendtrans-120121.2171.31770000108.6L259 K263 A267L259-V265 HydrophobicContact CB-CB 4.47Å; L259-V265 HydrophobicContact CB-CG2 4.03Å; L259-V265 PolarHBondContact O-N 2.88Å; L259-V265 VanDerWaalsContact O-N 3.17Å; K263-V265 VanDerWaalsContact C-N 3.29Å; V265-A267 PolarHBondContact O-N 3.49Å
266A85.3Confident85.7Confident105 Ų10570.1 Ų70.187%0.86838%0.383SS*.  trans-65.2124.6175.300000110
267A85.1Confident85.7Confident32 Ų3268.8 Ų68.826%0.26438%0.382SS..  trans-140.3135.3178.300000110.7Q260 V265 A271 R272Q260-A267 HydrophobicContact CB-CB 4.13Å; Q260-A267 HydrophobicContact CG-CB 3.75Å; V265-A267 PolarHBondContact O-N 3.49Å; A267-A271 HydrophobicContact CB-CB 4.48Å; A267-R272 HydrophobicContact CB-CG 3.85Å
268S88.6Confident85.9Confident73 Ų7371.5 Ų71.551%0.5140%0.399SS..  trans-64.3158.8172.666.30000110.8A271 R272S268-A271 PolarHBondContact O-N 3.09Å; S268-A271 WeakPolarHBondContact OG-CB 3.42Å; S268-A271 PolarHBondContact OG-N 2.88Å; S268-R272 PolarHBondContact O-N 3.31Å; S268-R272 VanDerWaalsContact O-N 3.13Å
269V84.7Confident86.3Confident83 Ų8371.5 Ų71.550%0.50340%0.398SS..Hα-helixtrans-55.1-47.8175.7176.50000111.5A271 R272 D273V269-A271 VanDerWaalsContact C-N 3.3Å; V269-A271 PolarHBondContact O-N 3.48Å; V269-R272 PolarHBondContact O-N 2.74Å; V269-R272 VanDerWaalsContact O-N 3.15Å; V269-D273 PolarHBondContact O-N 2.75Å
270P88.2Confident86.5Confident92 Ų9268.5 Ų68.560%0.59738%0.382SS*.Hα-helixtrans-62.2-34.3178.8-23.534.9000114R274P270-R274 WeakPolarHBondContact O-CB 3.15Å; P270-R274 PolarHBondContact O-N 3.4Å
271A87.8Confident86.8Confident36 Ų3670.7 Ų70.730%0.29840%0.398SS..Hα-helixtrans-66.4-42.6176.700000111.4A267 S268 V269 R274 V275A267-A271 HydrophobicContact CB-CB 4.48Å; S268-A271 PolarHBondContact O-N 3.09Å; S268-A271 WeakPolarHBondContact OG-CB 3.42Å; S268-A271 PolarHBondContact OG-N 2.88Å; V269-A271 VanDerWaalsContact C-N 3.3Å; V269-A271 PolarHBondContact O-N 3.48Å; A271-R274 PolarHBondContact O-N 3.26Å; A271-V275 WeakPolarHBondContact O-CG2 3.2Å; A271-V275 PolarHBondContact O-N 3.21Å
272R85.5Confident87.4Confident74 Ų7470.1 Ų70.128%0.27940%0.398SS..Hα-helixtrans-64.2-40.8176.6-73-173.7-73.5170.3-0.7112.3Q260 A267 S268 V269 R274 V275 R276Q260-R272 HydrophobicContact CB-CG 4.07Å; A267-R272 HydrophobicContact CB-CG 3.85Å; S268-R272 PolarHBondContact O-N 3.31Å; S268-R272 VanDerWaalsContact O-N 3.13Å; V269-R272 PolarHBondContact O-N 2.74Å; V269-R272 VanDerWaalsContact O-N 3.15Å; R272-R274 VanDerWaalsContact C-N 3.34Å; R272-V275 PolarHBondContact O-N 3.12Å; R272-R276 WeakPolarHBondContact O-CB 3.41Å; R272-R276 PolarHBondContact O-N 3.49Å
273D85.4Confident87.9Confident90 Ų9069.6 Ų69.648%0.48139%0.394SS..Hα-helixtrans-66.4-37.4177.3-68.8-29.3000111.8V269 R276 G277V269-D273 PolarHBondContact O-N 2.75Å; D273-R276 WeakPolarHBondContact O-CB 3.39Å; D273-R276 PolarHBondContact O-N 2.9Å; D273-G277 PolarHBondContact O-N 3.03Å
274R89.9Confident88.5Confident196 Ų19661.9 Ų61.974%0.7436%0.36SS*.Hα-helixtrans-62.5-47.6173.1-170.2-176.6-64.9179.9-1.2111.7P270 A271 R272 R276 G277 V278P270-R274 WeakPolarHBondContact O-CB 3.15Å; P270-R274 PolarHBondContact O-N 3.4Å; A271-R274 PolarHBondContact O-N 3.26Å; R272-R274 VanDerWaalsContact C-N 3.34Å; R274-R276 VanDerWaalsContact C-N 3.29Å; R274-R276 PolarHBondContact O-N 2.94Å; R274-G277 PolarHBondContact O-N 2.91Å; R274-G277 VanDerWaalsContact O-N 3.14Å; R274-V278 WeakPolarHBondContact O-CG2 2.85Å; R274-V278 PolarHBondContact O-N 3.14Å
275V90.4Very high89.1Confident25 Ų2558.7 Ų58.715%0.15234%0.344CS..Hα-helixtrans-61.2-40.3177.1174.30000110.9T253 V256 Y257 A271 R272 G277 V278 L279T253-V275 HydrophobicContact CG2-CG1 4.05Å; V256-V275 HydrophobicContact CG1-CG1 4.24Å; V256-V275 HydrophobicContact CG1-CG2 4.32Å; Y257-V275 HydrophobicContact CD2-CG1 3.98Å; Y257-V275 HydrophobicContact CG-CG1 4.46Å; A271-V275 WeakPolarHBondContact O-CG2 3.2Å; A271-V275 PolarHBondContact O-N 3.21Å; R272-V275 PolarHBondContact O-N 3.12Å; V275-G277 PolarHBondContact O-N 2.85Å; V275-V278 PolarHBondContact O-N 2.72Å; V275-L279 WeakPolarHBondContact O-CB 3.4Å; V275-L279 PolarHBondContact O-N 3.48Å
276R87.7Confident89.5Confident47 Ų4755.3 Ų55.318%0.17732%0.323CS..Hα-helixtrans-59.1-45.9173-173.1-177.1176.4-169.7-6.3111.8Y18 E177 Y257 R272 D273 R274 V278 L279 M280Y18-R276 VanDerWaalsContact OH-CZ 3.31Å; Y18-R276 PolarHBondContact OH-NH1 3.19Å; Y18-R276 PolarHBondContact OH-NH2 3.21Å; E177-R276 PolarHBondContact O-NH2 3.33Å; E177-R276 IonicContact OE2-NH2 2.63Å; Y257-R276 HydrophobicContact CE2-CB 3.89Å; Y257-R276 HydrophobicContact CE2-CG 4.34Å; R272-R276 WeakPolarHBondContact O-CB 3.41Å; R272-R276 PolarHBondContact O-N 3.49Å; D273-R276 WeakPolarHBondContact O-CB 3.39Å; D273-R276 PolarHBondContact O-N 2.9Å; R274-R276 VanDerWaalsContact C-N 3.29Å; R274-R276 PolarHBondContact O-N 2.94Å; R276-V278 VanDerWaalsContact C-N 3.34Å; R276-V278 PolarHBondContact O-N 2.78Å; R276-L279 WeakPolarHBondContact O-CB 3.47Å; R276-L279 PolarHBondContact O-N 2.96Å; R276-M280 WeakPolarHBondContact O-CG 3.28Å; R276-M280 PolarHBondContact O-N 3.45Å
277G88.5Confident89.8Confident39 Ų3950.3 Ų50.340%0.40228%0.282SS..Hα-helixtrans-58.8-44.4176.400000112.3D273 R274 V275 M280 V281D273-G277 PolarHBondContact O-N 3.03Å; R274-G277 PolarHBondContact O-N 2.91Å; R274-G277 VanDerWaalsContact O-N 3.14Å; V275-G277 PolarHBondContact O-N 2.85Å; G277-M280 PolarHBondContact O-N 3.22Å; G277-V281 PolarHBondContact O-N 2.84Å
278V92.1Very high90.2Very high59 Ų5949.8 Ų49.836%0.35828%0.278SS..Hα-helixtrans-62.1-43.9174.7176.60000111T253 R274 V275 R276 M280 V281 M282T253-V278 HydrophobicContact CG2-CB 4.26Å; T253-V278 HydrophobicContact CG2-CG1 3.97Å; R274-V278 WeakPolarHBondContact O-CG2 2.85Å; R274-V278 PolarHBondContact O-N 3.14Å; V275-V278 PolarHBondContact O-N 2.72Å; R276-V278 VanDerWaalsContact C-N 3.34Å; R276-V278 PolarHBondContact O-N 2.78Å; V278-M280 VanDerWaalsContact C-N 3.26Å; V278-M280 PolarHBondContact O-N 2.79Å; V278-V281 WeakPolarHBondContact O-CA 3.32Å; V278-V281 WeakPolarHBondContact O-CB 3.31Å; V278-V281 PolarHBondContact O-N 3.47Å; V278-M282 HydrophobicContact CG1-CE 3.83Å; V278-M282 HydrophobicContact CG1-CG 4.09Å; V278-M282 WeakPolarHBondContact O-CG 3.48Å; V278-M282 PolarHBondContact O-N 3.29Å
279L90.7Very high90.4Very high1 Ų146.3 Ų46.31%0.00525%0.253CS..Hα-helixtrans-57.6-40.1178-176.361.9000111.9F179 Y250 T253 L254 Y257 V275 R276 V281 M282 V283F179-L279 HydrophobicContact CD1-CD2 4.38Å; F179-L279 HydrophobicContact CD2-CD2 4.4Å; F179-L279 HydrophobicContact CE1-CD2 3.85Å; F179-L279 HydrophobicContact CE2-CD2 3.86Å; F179-L279 HydrophobicContact CZ-CD2 3.56Å; F179-L279 HydrophobicContact CZ-CG 4.19Å; Y250-L279 HydrophobicContact CD2-CD1 3.87Å; Y250-L279 HydrophobicContact CE2-CD1 3.7Å; T253-L279 HydrophobicContact CG2-CB 3.86Å; T253-L279 HydrophobicContact CG2-CD1 4.17Å; L254-L279 HydrophobicContact CB-CD1 4.09Å; L254-L279 HydrophobicContact CD1-CD1 4.33Å; L254-L279 HydrophobicContact CD1-CD2 4.08Å; Y257-L279 HydrophobicContact CD1-CD2 4.33Å; Y257-L279 HydrophobicContact CG-CD2 4.27Å; V275-L279 WeakPolarHBondContact O-CB 3.4Å; V275-L279 PolarHBondContact O-N 3.48Å; R276-L279 WeakPolarHBondContact O-CB 3.47Å; R276-L279 PolarHBondContact O-N 2.96Å; L279-V281 VanDerWaalsContact C-N 3.27Å; L279-V281 PolarHBondContact O-N 3.04Å; L279-M282 PolarHBondContact O-N 2.98Å; L279-V283 PolarHBondContact O-N 2.91Å
280M89.9Confident90.7Very high14 Ų1442.4 Ų42.47%0.06923%0.229CC..Hα-helixtrans-66.1-26.5175.1-65.5-56-166.900113.2T21 H25 E177 F179 R276 G277 V278 V283T21-M280 HydrophobicContact CG2-CB 3.99Å; T21-M280 HydrophobicContact CG2-CG 4.44Å; H25-M280 PolarHBondContact CE1-O 2.85Å; H25-M280 PolarHBondContact NE2-O 3Å; E177-M280 WeakPolarHBondContact OE2-CE 3.23Å; F179-M280 HydrophobicContact CE2-CE 3.76Å; F179-M280 HydrophobicContact CE2-SD 4.25Å; R276-M280 WeakPolarHBondContact O-CG 3.28Å; R276-M280 PolarHBondContact O-N 3.45Å; G277-M280 PolarHBondContact O-N 3.22Å; V278-M280 VanDerWaalsContact C-N 3.26Å; V278-M280 PolarHBondContact O-N 2.79Å; M280-V283 VanDerWaalsContact O-CG1 3.31Å; M280-V283 WeakPolarHBondContact O-CG1 3.44Å
281V92.2Very high90.9Very high72 Ų7240 Ų4044%0.43621%0.213SC..Hα-helixtrans-78.6-42171.3178.60000110.2G277 V278 L279 V283 L284 L285G277-V281 PolarHBondContact O-N 2.84Å; V278-V281 WeakPolarHBondContact O-CA 3.32Å; V278-V281 WeakPolarHBondContact O-CB 3.31Å; V278-V281 PolarHBondContact O-N 3.47Å; L279-V281 VanDerWaalsContact C-N 3.27Å; L279-V281 PolarHBondContact O-N 3.04Å; V281-V283 VanDerWaalsContact C-N 3.27Å; V281-V283 PolarHBondContact O-N 2.84Å; V281-L284 VanDerWaalsContact O-CB 3.32Å; V281-L284 WeakPolarHBondContact O-CB 3.41Å; V281-L284 PolarHBondContact O-N 3.19Å; V281-L284 VanDerWaalsContact O-N 3.12Å; V281-L285 PolarHBondContact O-N 3.18Å
282M93.9Very high91Very high41 Ų4140.8 Ų40.820%0.20221%0.212CC..Hα-helixtrans-66.7-27.7-178.7-60.6-53.7145.800113P249 Y250 V278 L279 L284 L285 A286P249-M282 HydrophobicContact CB-CG 4.2Å; P249-M282 HydrophobicContact CB-SD 3.43Å; P249-M282 WeakPolarHBondContact CB-SD 3.47Å; Y250-M282 HydrophobicContact CD2-CB 4.3Å; V278-M282 HydrophobicContact CG1-CE 3.83Å; V278-M282 HydrophobicContact CG1-CG 4.09Å; V278-M282 WeakPolarHBondContact O-CG 3.48Å; V278-M282 PolarHBondContact O-N 3.29Å; L279-M282 PolarHBondContact O-N 2.98Å; M282-L284 PolarHBondContact O-N 2.88Å; M282-L285 PolarHBondContact O-N 2.84Å; M282-L285 HydrophobicContact SD-CD2 4.36Å; M282-A286 WeakPolarHBondContact O-CB 3.29Å; M282-A286 PolarHBondContact O-N 3.28Å
283V92.5Very high91.1Very high14 Ų1437.2 Ų37.29%0.08520%0.199CC..Hα-helixtrans-64.8-28.6174.885.40000112.3H25 Y29 F101 Y250 L279 M280 V281 G287H25-V283 WeakPolarHBondContact NE2-CG1 3.49Å; Y29-V283 PolarHBondContact OH-O 3.11Å; Y29-V283 VanDerWaalsContact OH-O 3.12Å; F101-V283 HydrophobicContact CE1-CG2 3.74Å; F101-V283 HydrophobicContact CE2-CG2 3.88Å; F101-V283 HydrophobicContact CZ-CG2 3.29Å; Y250-V283 HydrophobicContact CD2-CB 4.18Å; Y250-V283 HydrophobicContact CD2-CG2 4.37Å; Y250-V283 HydrophobicContact CE2-CB 3.99Å; Y250-V283 HydrophobicContact CE2-CG2 3.82Å; L279-V283 PolarHBondContact O-N 2.91Å; M280-V283 VanDerWaalsContact O-CG1 3.31Å; M280-V283 WeakPolarHBondContact O-CG1 3.44Å; V281-V283 VanDerWaalsContact C-N 3.27Å; V281-V283 PolarHBondContact O-N 2.84Å; V283-G287 PolarHBondContact O-N 3.14Å
284L93.8Very high91.1Very high9 Ų933.6 Ų33.65%0.04718%0.18CC..Hα-helixtrans-70.2-44.7173.7-63.9176.4000110.7L24 H25 V28 Y29 V281 M282 A286 G287 A288L24-L284 HydrophobicContact CD2-CD1 3.74Å; L24-L284 HydrophobicContact CG-CD1 3.65Å; H25-L284 HydrophobicContact CB-CD2 4.12Å; H25-L284 WeakPolarHBondContact CD2-CD2 3.49Å; V28-L284 HydrophobicContact CB-CD1 4.4Å; V28-L284 HydrophobicContact CB-CD2 4.2Å; V28-L284 HydrophobicContact CG1-CB 4.16Å; V28-L284 HydrophobicContact CG1-CD2 4.24Å; V28-L284 HydrophobicContact CG2-CD1 4.29Å; Y29-L284 HydrophobicContact CD1-CD2 4.07Å; Y29-L284 HydrophobicContact CD2-CD2 4.21Å; Y29-L284 HydrophobicContact CE1-CD2 3.7Å; Y29-L284 HydrophobicContact CE2-CD2 3.89Å; Y29-L284 HydrophobicContact CG-CD2 4.31Å; V281-L284 VanDerWaalsContact O-CB 3.32Å; V281-L284 WeakPolarHBondContact O-CB 3.41Å; V281-L284 PolarHBondContact O-N 3.19Å; V281-L284 VanDerWaalsContact O-N 3.12Å; M282-L284 PolarHBondContact O-N 2.88Å; L284-A286 VanDerWaalsContact C-N 3.34Å; L284-G287 PolarHBondContact O-N 3.48Å; L284-A288 PolarHBondContact O-N 3.48Å
285L93Very high90.6Very high59 Ų5928.4 Ų28.431%0.30917%0.167SC..Hα-helixtrans-65-39.8178.8-166.459.6000111.6L245 C246 P249 V281 M282 A288L245-L285 HydrophobicContact CD2-CD1 3.63Å; L245-L285 HydrophobicContact CD2-CG 4.25Å; L245-L285 HydrophobicContact CG-CD1 4.3Å; L245-L285 WeakPolarHBondContact O-CD2 3.44Å; L245-L285 VanDerWaalsContact O-CG 3.29Å; L245-L285 WeakPolarHBondContact O-CG 3.04Å; C246-L285 PolarHBondContact SG-O 2.97Å; P249-L285 HydrophobicContact CG-CD2 4.28Å; V281-L285 PolarHBondContact O-N 3.18Å; M282-L285 PolarHBondContact O-N 2.84Å; M282-L285 HydrophobicContact SD-CD2 4.36Å; L285-A288 PolarHBondContact O-N 3.01Å
286A94Very high90.3Very high0 Ų027.2 Ų27.20%016%0.159CC..Hα-helixtrans-61.4-48.317100000111.2F101 C246 Y250 M282 L284 A288 N289F101-A286 HydrophobicContact CE2-CB 4.5Å; F101-A286 HydrophobicContact CZ-CB 4.16Å; C246-A286 WeakPolarHBondContact O-CA 3.38Å; C246-A286 WeakPolarHBondContact O-CB 3.01Å; C246-A286 PolarHBondContact O-N 2.76Å; Y250-A286 HydrophobicContact CD2-CB 4.37Å; Y250-A286 HydrophobicContact CG-CB 4.05Å; M282-A286 WeakPolarHBondContact O-CB 3.29Å; M282-A286 PolarHBondContact O-N 3.28Å; L284-A286 VanDerWaalsContact C-N 3.34Å; A286-A288 PolarHBondContact O-N 3.48Å; A286-N289 WeakPolarHBondContact O-CB 3.43Å; A286-N289 PolarHBondContact O-N 2.91Å; A286-N289 PolarHBondContact O-ND2 3.49Å
287G92.4Very high90Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-64.5-25.7177.900000114.3F71 V283 L284 N289 C290F71-G287 WeakPolarHBondContact CE1-O 3.05Å; V283-G287 PolarHBondContact O-N 3.14Å; L284-G287 PolarHBondContact O-N 3.48Å; G287-N289 PolarHBondContact O-N 3.2Å; G287-C290 PolarHBondContact O-SG 3.29Å
288A92.4Very high89.5Confident22 Ų2227.5 Ų27.518%0.18215%0.149CC..THydrogen-bonded Turntrans-69.6-9.5176.900000113.9V32 L284 L285 A286 C290 V291V32-A288 HydrophobicContact CG2-CB 4.36Å; L284-A288 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 3.01Å; A286-A288 PolarHBondContact O-N 3.48Å; A288-C290 PolarHBondContact O-N 2.89Å; A288-V291 PolarHBondContact O-N 3.06Å; A288-V291 VanDerWaalsContact O-N 3.07Å
289N93Very high88.7Confident0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-51.1-40.9178.18067.3000112.4D68 N104 C246 F247 A286 G287 V291 L292 D293D68-N289 PolarHBondContact OD1-OD1 3.25Å; N104-N289 PolarHBondContact OD1-ND2 3.39Å; C246-N289 HydrophobicContact CB-CB 3.93Å; F247-N289 HydrophobicContact CE1-CB 4.27Å; F247-N289 HydrophobicContact CE2-CB 4.2Å; F247-N289 HydrophobicContact CZ-CB 3.67Å; A286-N289 WeakPolarHBondContact O-CB 3.43Å; A286-N289 PolarHBondContact O-N 2.91Å; A286-N289 PolarHBondContact O-ND2 3.49Å; G287-N289 PolarHBondContact O-N 3.2Å; N289-V291 PolarHBondContact O-N 3.39Å; N289-V291 VanDerWaalsContact O-N 3.09Å; N289-L292 WeakPolarHBondContact O-CA 3.07Å; N289-L292 PolarHBondContact O-N 3.22Å; N289-D293 PolarHBondContact O-N 2.03Å
290C91.5Very high87.7Confident0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-65.4-19.3-175.861.50000113.7V32 N40 D68 G287 A288 P294V32-C290 WeakPolarHBondContact CG1-SG 3.38Å; N40-C290 PolarHBondContact ND2-O 3.5Å; D68-C290 HydrophobicContact CB-CB 3.75Å; G287-C290 PolarHBondContact O-SG 3.29Å; A288-C290 PolarHBondContact O-N 2.89Å; C290-P294 WeakPolarHBondContact O-CD 3.27Å
291V92.1Very high86.4Confident43 Ų4328.9 Ų28.926%0.26116%0.156SC..Hα-helixtrans-85.3-23.5174.2-172.90000111.4V32 A35 A288 N289 P294V32-V291 HydrophobicContact CB-CG2 4.24Å; V32-V291 HydrophobicContact CG1-CG2 4.06Å; V32-V291 HydrophobicContact CG2-CG2 4.17Å; A35-V291 HydrophobicContact CB-CG1 3.85Å; A35-V291 HydrophobicContact CB-CG2 4.28Å; A288-V291 PolarHBondContact O-N 3.06Å; A288-V291 VanDerWaalsContact O-N 3.07Å; N289-V291 PolarHBondContact O-N 3.39Å; N289-V291 VanDerWaalsContact O-N 3.09Å; V291-P294 WeakPolarHBondContact O-CD 3.37Å
292L90.4Very high85Confident51 Ų5130 Ų3027%0.26716%0.157SC..Hα-helixtrans-90-29.9-178.9-56.5-179.2000112.6I242 L245 N289 P294 L295I242-L292 HydrophobicContact CD1-CB 3.87Å; I242-L292 HydrophobicContact CG1-CB 3.82Å; I242-L292 HydrophobicContact CG1-CD1 4.26Å; L245-L292 HydrophobicContact CD2-CD1 4.11Å; N289-L292 WeakPolarHBondContact O-CA 3.07Å; N289-L292 PolarHBondContact O-N 3.22Å; L292-P294 VanDerWaalsContact C-CD 3.44Å; L292-P294 VanDerWaalsContact C-N 3.3Å; L292-L295 WeakPolarHBondContact O-CB 3.45Å; L292-L295 WeakPolarHBondContact O-CG 3.2Å; L292-L295 PolarHBondContact O-N 3.31Å
293D88.1Confident83.2Confident0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-57.1-30.8179.2-73.4-18000114.6L64 N289 L295 V296 Y297L64-D293 HydrophobicContact CD2-CB 4.17Å; L64-D293 HydrophobicContact CG-CB 4.5Å; N289-D293 PolarHBondContact O-N 2.03Å; D293-L295 PolarHBondContact O-N 2.62Å; D293-L295 VanDerWaalsContact O-N 3.12Å; D293-V296 WeakPolarHBondContact O-CA 3.49Å; D293-V296 WeakPolarHBondContact O-CB 3.41Å; D293-V296 PolarHBondContact O-N 3.33Å; D293-Y297 HydrophobicContact CB-CE2 4.48Å; D293-Y297 PolarHBondContact O-N 2.91Å
294P84.5Confident81.6Confident14 Ų1429.1 Ų29.19%0.09116%0.157CC..Hα-helixtrans-53.1-27.8166.6-3137.3000116.2L39 C290 V291 L292 V296 Y297 Y298L39-P294 HydrophobicContact CB-CB 4.3Å; L39-P294 HydrophobicContact CB-CG 3.65Å; L39-P294 HydrophobicContact CD1-CB 4.43Å; L39-P294 HydrophobicContact CD1-CG 4.08Å; L39-P294 HydrophobicContact CG-CG 4.39Å; C290-P294 WeakPolarHBondContact O-CD 3.27Å; V291-P294 WeakPolarHBondContact O-CD 3.37Å; L292-P294 VanDerWaalsContact C-CD 3.44Å; L292-P294 VanDerWaalsContact C-N 3.3Å; P294-V296 VanDerWaalsContact C-N 3.32Å; P294-Y297 VanDerWaalsContact CA-CD2 3.44Å; P294-Y297 HydrophobicContact CB-CD2 4.29Å; P294-Y297 HydrophobicContact CG-CD2 4.44Å; P294-Y297 HydrophobicContact CG-CE2 4.31Å; P294-Y297 PolarHBondContact O-N 2.84Å; P294-Y298 PolarHBondContact O-N 2.81Å
295L80.1Confident80.3Confident87 Ų8730.1 Ų30.146%0.45516%0.16SC..Hα-helixtrans-66.1-37.1172.9-60.7172.8000111.4L292 D293 Y297 Y298 F299L292-L295 WeakPolarHBondContact O-CB 3.45Å; L292-L295 WeakPolarHBondContact O-CG 3.2Å; L292-L295 PolarHBondContact O-N 3.31Å; D293-L295 PolarHBondContact O-N 2.62Å; D293-L295 VanDerWaalsContact O-N 3.12Å; L295-Y297 VanDerWaalsContact C-N 3.34Å; L295-Y298 PolarHBondContact O-N 2.94Å; L295-F299 HydrophobicContact CB-CE2 4.42Å; L295-F299 WeakPolarHBondContact O-CD2 3.48Å; L295-F299 PolarHBondContact O-N 3.19Å
296V82.5Confident79Confident0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-62.8-43.6175.4-178.70000109.9M61 L112 I115 L235 N239 I242 D293 P294 F299 S300M61-V296 HydrophobicContact CE-CG1 3.8Å; L112-V296 HydrophobicContact CD2-CG1 4.49Å; L112-V296 HydrophobicContact CD2-CG2 4.25Å; I115-V296 HydrophobicContact CD1-CG1 4.45Å; L235-V296 HydrophobicContact CD1-CB 4.31Å; L235-V296 HydrophobicContact CD1-CG1 3.53Å; L235-V296 VanDerWaalsContact CD1-O 3.28Å; L235-V296 WeakPolarHBondContact CD1-O 3.47Å; N239-V296 WeakPolarHBondContact OD1-CG1 3.44Å; N239-V296 WeakPolarHBondContact OD1-CG2 3.4Å; I242-V296 HydrophobicContact CD1-CG2 3.54Å; D293-V296 WeakPolarHBondContact O-CA 3.49Å; D293-V296 WeakPolarHBondContact O-CB 3.41Å; D293-V296 PolarHBondContact O-N 3.33Å; P294-V296 VanDerWaalsContact C-N 3.32Å; V296-F299 PolarHBondContact O-N 3.12Å; V296-S300 WeakPolarHBondContact O-CB 3.28Å; V296-S300 PolarHBondContact O-N 3.45Å; V296-S300 VanDerWaalsContact O-N 3.09Å
297Y82.1Confident77.5Confident0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-63.1-44.6176.9-50.8-29.1000111.6N40 A43 F47 M61 L64 A65 D68 D293 P294 L295 F299 S300 A301N40-Y297 WeakPolarHBondContact OD1-CE2 3.36Å; A43-Y297 HydrophobicContact CB-CD2 3.43Å; A43-Y297 VanDerWaalsContact CB-CD2 3.43Å; A43-Y297 HydrophobicContact CB-CE2 3.7Å; A43-Y297 HydrophobicContact CB-CG 4.36Å; F47-Y297 AromaticContact CE2-CD1 3.82Å; F47-Y297 HydrophobicContact CE2-CD1 3.82Å; F47-Y297 HydrophobicContact CE2-CD2 4.24Å; F47-Y297 HydrophobicContact CE2-CE1 4.25Å; F47-Y297 AromaticContact CE2-CG 3.85Å; F47-Y297 HydrophobicContact CE2-CG 3.85Å; F47-Y297 AromaticContact CZ-CD1 3.81Å; F47-Y297 HydrophobicContact CZ-CD1 3.81Å; F47-Y297 AromaticContact CZ-CG 3.83Å; F47-Y297 HydrophobicContact CZ-CG 3.83Å; M61-Y297 HydrophobicContact CB-CD1 4.02Å; M61-Y297 HydrophobicContact CB-CE1 3.98Å; M61-Y297 HydrophobicContact CE-CD1 4.48Å; M61-Y297 HydrophobicContact CG-CD1 3.87Å; M61-Y297 HydrophobicContact CG-CE1 4.04Å; M61-Y297 HydrophobicContact SD-CD1 4.01Å; L64-Y297 HydrophobicContact CD2-CE1 4.03Å; L64-Y297 WeakPolarHBondContact CG-OH 3.47Å; A65-Y297 WeakPolarHBondContact CA-OH 3.43Å; A65-Y297 HydrophobicContact CB-CE2 4.36Å; A65-Y297 PolarHBondContact N-OH 3.42Å; D68-Y297 PolarHBondContact OD2-OH 3.41Å; D293-Y297 HydrophobicContact CB-CE2 4.48Å; D293-Y297 PolarHBondContact O-N 2.91Å; P294-Y297 VanDerWaalsContact CA-CD2 3.44Å; P294-Y297 HydrophobicContact CB-CD2 4.29Å; P294-Y297 HydrophobicContact CG-CD2 4.44Å; P294-Y297 HydrophobicContact CG-CE2 4.31Å; P294-Y297 PolarHBondContact O-N 2.84Å; L295-Y297 VanDerWaalsContact C-N 3.34Å; Y297-F299 PolarHBondContact O-N 3.48Å; Y297-S300 PolarHBondContact O-N 3.3Å; Y297-A301 PolarHBondContact O-N 3.16Å
298Y78.6Confident76.5Confident92 Ų9236.3 Ų36.336%0.36120%0.195SC..Hα-helixtrans-60.5-44.1179.1-176.9-91.1000113.1P294 L295 R305P294-Y298 PolarHBondContact O-N 2.81Å; L295-Y298 PolarHBondContact O-N 2.94Å; Y298-R305 HydrophobicContact CD2-CG 3.88Å; Y298-R305 HydrophobicContact CE2-CB 4.48Å; Y298-R305 HydrophobicContact CE2-CG 3.76Å; Y298-R305 HydrophobicContact CG-CG 4.36Å; Y298-R305 WeakPolarHBondContact O-CG 3.3Å
299F75Confident75.6Confident58 Ų5842.8 Ų42.825%0.25422%0.215SC..Hα-helixtrans-76.2-25.1-179.9-65.5-47.7000113.6R234 L235 A238 L295 V296 Y297R234-F299 HydrophobicContact CB-CD1 4.12Å; R234-F299 HydrophobicContact CB-CD2 4.37Å; R234-F299 HydrophobicContact CB-CE1 4.44Å; R234-F299 HydrophobicContact CB-CG 4.11Å; L235-F299 HydrophobicContact CB-CB 4.16Å; L235-F299 HydrophobicContact CD1-CB 4.39Å; A238-F299 HydrophobicContact CB-CD2 4.04Å; A238-F299 HydrophobicContact CB-CE2 4.25Å; L295-F299 HydrophobicContact CB-CE2 4.42Å; L295-F299 WeakPolarHBondContact O-CD2 3.48Å; L295-F299 PolarHBondContact O-N 3.19Å; V296-F299 PolarHBondContact O-N 3.12Å; Y297-F299 PolarHBondContact O-N 3.48Å
300S69.3Low74.3Confident34 Ų3445 Ų4524%0.23824%0.237CC..Hα-helixtrans-89.3-35.4-176.9-172.30000115V57 M61 V296 Y297V57-S300 WeakPolarHBondContact CG1-OG 3.43Å; M61-S300 VanDerWaalsContact CE-OG 3.24Å; M61-S300 WeakPolarHBondContact CE-OG 3.37Å; V296-S300 WeakPolarHBondContact O-CB 3.28Å; V296-S300 PolarHBondContact O-N 3.45Å; V296-S300 VanDerWaalsContact O-N 3.09Å; Y297-S300 PolarHBondContact O-N 3.3Å
301A63.1Low73.1Confident10 Ų1049.8 Ų49.88%0.08326%0.262CS..  trans-114.7107.3-168.900000111.9F47 L51 Y297 G303 F304 R305F47-A301 HydrophobicContact CE1-CB 4.18Å; L51-A301 HydrophobicContact CD1-CB 4.05Å; Y297-A301 PolarHBondContact O-N 3.16Å; A301-G303 PolarHBondContact O-N 3.46Å; A301-F304 HydrophobicContact CB-CB 3.58Å; A301-F304 WeakPolarHBondContact O-CB 3.43Å; A301-F304 PolarHBondContact O-N 2.84Å; A301-F304 VanDerWaalsContact O-N 3.07Å; A301-R305 PolarHBondContact O-N 3.41Å
302E63.1Low71.6Confident97 Ų9750.8 Ų50.845%0.45328%0.281SS..Hα-helixtrans-61.2-37173.4-52-152.1115.500112K231 F304 R305 N306K231-E302 IonicContact NZ-OE1 3.65Å; K231-E302 PolarHBondContact NZ-OE1 3.13Å; E302-F304 VanDerWaalsContact C-N 3.31Å; E302-F304 PolarHBondContact O-N 3.29Å; E302-R305 PolarHBondContact O-N 3.01Å; E302-R305 IonicContact OE1-CZ 3.8Å; E302-R305 IonicContact OE1-NH1 3.85Å; E302-R305 IonicContact OE1-NH2 2.85Å; E302-R305 PolarHBondContact OE1-NH2 2.87Å; E302-N306 WeakPolarHBondContact O-CB 3.39Å; E302-N306 PolarHBondContact O-N 3.37Å; E302-N306 PolarHBondContact O-OD1 3.47Å
303G56.2Low69.7Low24 Ų2452.7 Ų52.725%0.24730%0.295CS..Hα-helixtrans-63.4-35173.500000112.7A301 N306 T307A301-G303 PolarHBondContact O-N 3.46Å; G303-N306 PolarHBondContact O-N 2.98Å; G303-T307 WeakPolarHBondContact O-CB 3.46Å; G303-T307 PolarHBondContact O-N 3.41Å; G303-T307 PolarHBondContact O-OG1 2.93Å
304F58.7Low67.8Low11 Ų1158 Ų585%0.04833%0.329CS..Hα-helixtrans-63.5-45.3173.9-177.2-103.4000111.4A43 V46 A301 E302 N306 T307 L308A43-F304 HydrophobicContact CB-CE2 4.13Å; A43-F304 HydrophobicContact CB-CZ 4.48Å; V46-F304 HydrophobicContact CB-CD2 3.89Å; V46-F304 HydrophobicContact CB-CE2 4.3Å; V46-F304 HydrophobicContact CG1-CB 4.41Å; V46-F304 HydrophobicContact CG1-CD2 3.74Å; V46-F304 HydrophobicContact CG2-CD2 4.11Å; V46-F304 HydrophobicContact CG2-CE2 4.22Å; A301-F304 HydrophobicContact CB-CB 3.58Å; A301-F304 WeakPolarHBondContact O-CB 3.43Å; A301-F304 PolarHBondContact O-N 2.84Å; A301-F304 VanDerWaalsContact O-N 3.07Å; E302-F304 VanDerWaalsContact C-N 3.31Å; E302-F304 PolarHBondContact O-N 3.29Å; F304-N306 PolarHBondContact O-N 2.84Å; F304-T307 PolarHBondContact O-N 2.93Å; F304-L308 HydrophobicContact CD1-CD1 3.7Å; F304-L308 HydrophobicContact CE1-CD1 3.29Å; F304-L308 HydrophobicContact CE1-CG 4.26Å; F304-L308 HydrophobicContact CE2-CD1 4.36Å; F304-L308 HydrophobicContact CG-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD1 3.66Å; F304-L308 HydrophobicContact CZ-CG 4.25Å; F304-L308 WeakPolarHBondContact O-CB 3.28Å; F304-L308 WeakPolarHBondContact O-CG 3.13Å; F304-L308 PolarHBondContact O-N 2.86Å
305R67.1Low66.1Low30 Ų3066.3 Ų66.311%0.11337%0.366CS..Hα-helixtrans-62.1-42.2174-57.8-168.4-47.6-103.6-5112.5Y298 A301 E302 L308 R309Y298-R305 HydrophobicContact CD2-CG 3.88Å; Y298-R305 HydrophobicContact CE2-CB 4.48Å; Y298-R305 HydrophobicContact CE2-CG 3.76Å; Y298-R305 HydrophobicContact CG-CG 4.36Å; Y298-R305 WeakPolarHBondContact O-CG 3.3Å; A301-R305 PolarHBondContact O-N 3.41Å; E302-R305 PolarHBondContact O-N 3.01Å; E302-R305 IonicContact OE1-CZ 3.8Å; E302-R305 IonicContact OE1-NH1 3.85Å; E302-R305 IonicContact OE1-NH2 2.85Å; E302-R305 PolarHBondContact OE1-NH2 2.87Å; R305-L308 PolarHBondContact O-N 3.46Å; R305-R309 WeakPolarHBondContact O-CB 3.28Å; R305-R309 VanDerWaalsContact O-CG 3.27Å; R305-R309 WeakPolarHBondContact O-CG 3.35Å; R305-R309 PolarHBondContact O-N 2.93Å
306N65.1Low64.5Low95 Ų9572.9 Ų72.951%0.50839%0.385SS..Hα-helixtrans-69.7-39-177.2-69.3-5.8000111.4E302 G303 F304 R309 G310E302-N306 WeakPolarHBondContact O-CB 3.39Å; E302-N306 PolarHBondContact O-N 3.37Å; E302-N306 PolarHBondContact O-OD1 3.47Å; G303-N306 PolarHBondContact O-N 2.98Å; F304-N306 PolarHBondContact O-N 2.84Å; N306-R309 PolarHBondContact O-N 3.08Å; N306-G310 PolarHBondContact O-N 2.88Å
307T63.1Low62.8Low37 Ų3778.9 Ų78.923%0.22742%0.422CS..Hα-helixtrans-66.1-44.6173.3-590000111.2W45 V46 G303 F304 R309 G310 L311W45-T307 HydrophobicContact CZ3-CG2 4.26Å; V46-T307 HydrophobicContact CG1-CG2 4.39Å; V46-T307 HydrophobicContact CG2-CG2 3.95Å; G303-T307 WeakPolarHBondContact O-CB 3.46Å; G303-T307 PolarHBondContact O-N 3.41Å; G303-T307 PolarHBondContact O-OG1 2.93Å; F304-T307 PolarHBondContact O-N 2.93Å; T307-R309 VanDerWaalsContact C-N 3.34Å; T307-R309 PolarHBondContact O-N 3.43Å; T307-G310 PolarHBondContact O-N 3.42Å; T307-G310 VanDerWaalsContact O-N 3.15Å; T307-L311 HydrophobicContact CG2-CD1 3.84Å; T307-L311 WeakPolarHBondContact O-CD1 3.43Å; T307-L311 WeakPolarHBondContact O-CG 3.38Å; T307-L311 PolarHBondContact O-N 3.42Å
308L70.8Confident60.9Low57 Ų5789.4 Ų89.430%0.29846%0.461SS..Hα-helixtrans-58.4-43.7174-80.3173.1000112.6L42 F304 R305 G310 L311 G312L42-L308 HydrophobicContact CD2-CD2 3.68Å; F304-L308 HydrophobicContact CD1-CD1 3.7Å; F304-L308 HydrophobicContact CE1-CD1 3.29Å; F304-L308 HydrophobicContact CE1-CG 4.26Å; F304-L308 HydrophobicContact CE2-CD1 4.36Å; F304-L308 HydrophobicContact CG-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD1 3.66Å; F304-L308 HydrophobicContact CZ-CG 4.25Å; F304-L308 WeakPolarHBondContact O-CB 3.28Å; F304-L308 WeakPolarHBondContact O-CG 3.13Å; F304-L308 PolarHBondContact O-N 2.86Å; R305-L308 PolarHBondContact O-N 3.46Å; L308-G310 VanDerWaalsContact C-N 3.34Å; L308-L311 PolarHBondContact O-N 3.26Å; L308-G312 PolarHBondContact O-N 3Å
309R72.6Confident59.1Low159 Ų15990.5 Ų90.560%0.648%0.478SS*.Hα-helixtrans-63.8-39.2175.2-74.6174180-173.4-3.3112R305 N306 T307 G312 T313R305-R309 WeakPolarHBondContact O-CB 3.28Å; R305-R309 VanDerWaalsContact O-CG 3.27Å; R305-R309 WeakPolarHBondContact O-CG 3.35Å; R305-R309 PolarHBondContact O-N 2.93Å; N306-R309 PolarHBondContact O-N 3.08Å; T307-R309 VanDerWaalsContact C-N 3.34Å; T307-R309 PolarHBondContact O-N 3.43Å; R309-G312 PolarHBondContact O-N 3.45Å; R309-T313 PolarHBondContact O-N 2.92Å; R309-T313 VanDerWaalsContact O-N 3.12Å; R309-T313 PolarHBondContact O-OG1 3.04Å
310G65.9Low57.6Low46 Ų4694.8 Ų94.847%0.47450%0.502SS..Hα-helixtrans-68.8-30.6176.100000114.1N306 T307 L308 T313N306-G310 PolarHBondContact O-N 2.88Å; T307-G310 PolarHBondContact O-N 3.42Å; T307-G310 VanDerWaalsContact O-N 3.15Å; L308-G310 VanDerWaalsContact C-N 3.34Å; G310-T313 PolarHBondContact O-OG1 3.35Å; G310-T313 VanDerWaalsContact O-OG1 3.09Å
311L67.7Low56.3Low101 Ų10197 Ų9753%0.52952%0.523SS..Hα-helixtrans-72.1-31.8171.8-78.1148.4000112L42 W45 T307 L308L42-L311 HydrophobicContact CD1-CD1 4.32Å; W45-L311 HydrophobicContact CZ3-CD1 4.49Å; T307-L311 HydrophobicContact CG2-CD1 3.84Å; T307-L311 WeakPolarHBondContact O-CD1 3.43Å; T307-L311 WeakPolarHBondContact O-CG 3.38Å; T307-L311 PolarHBondContact O-N 3.42Å; L308-L311 PolarHBondContact O-N 3.26Å
312G59.7Low55.3Low63 Ų63100.9 Ų100.965%0.64955%0.546SS*.Hα-helixtrans-85.5-1418000000115.3L308 R309L308-G312 PolarHBondContact O-N 3Å; R309-G312 PolarHBondContact O-N 3.45Å
313T51.2Low54.3Low92 Ų92101.8 Ų101.856%0.56455%0.554SS**SBendtrans-84.2120.9171.443.90000110R309 G310 H315R309-T313 PolarHBondContact O-N 2.92Å; R309-T313 VanDerWaalsContact O-N 3.12Å; R309-T313 PolarHBondContact O-OG1 3.04Å; G310-T313 PolarHBondContact O-OG1 3.35Å; G310-T313 VanDerWaalsContact O-OG1 3.09Å; T313-H315 PolarHBondContact O-N 2.99Å
314P47.8Very low53.6Low111 Ų111103.1 Ų103.172%0.72157%0.567SS**  trans-55.5142.2170.4-12.922.7000109.4R316P314-R316 PolarHBondContact O-N 3.17Å
315H48.2Very low52.9Low188 Ų188106.8 Ų106.887%0.8759%0.59SS**SBendtrans-68.831.6-175-137.1-33.2000114.3T313T313-H315 PolarHBondContact O-N 2.99Å
316R46.7Very low51.7Low225 Ų225112.3 Ų112.385%0.84962%0.618SS**  trans-103.5127.2175.8-134.5175.6179.8-165.2-0.8107.8P314P314-R316 PolarHBondContact O-N 3.17Å
317V47.4Very low50.6Low126 Ų126110.7 Ų110.776%0.76462%0.618SS**SBendtrans85.358.4-177.7-156.90000115.1
318R41.4Very low49.7Very low222 Ų222112.1 Ų112.184%0.83863%0.633SS**SBendtrans-129.95.5150.1-145.7172.7167.7154.5-2.4114
319T41.8Very low48.5Very low115 Ų115115.3 Ų115.371%0.70665%0.649SS**SBendtrans-110.7-2.4-177.836.20000115.4
320L42.5Very low47.1Very low147 Ų147110.9 Ų110.977%0.7765%0.647SS**SBendtrans-103.5-17.1-179.7-120.7100.6000115.6
321A41.9Very low45.9Very low81 Ų81116.1 Ų116.167%0.66966%0.659SS**THydrogen-bonded Turntrans-84.7-12.3-175.300000114.3T325A321-T325 PolarHBondContact O-OG1 2.8Å
322T42.7Very low44.5Very low91 Ų91115.6 Ų115.656%0.55866%0.664SS**THydrogen-bonded Turntrans-93.1-19.3177.337.20000113.8
323N40.9Very low43.7Very low117 Ų117120.7 Ų120.763%0.62667%0.671SS**Hα-helixtrans-96.4-23-179.6-69.611.8000113.2
324G42.5Very low43Very low51 Ų51127.3 Ų127.353%0.52669%0.686SS.*Hα-helixtrans-75.3-28179.800000114.4
325T42.9Very low42.5Very low88 Ų88127 Ų12754%0.5469%0.686SS.*Hα-helixtrans-86.6-29.7-179.233.60000113.2A321 L329A321-T325 PolarHBondContact O-OG1 2.8Å; T325-L329 WeakPolarHBondContact O-CD1 3.49Å; T325-L329 PolarHBondContact O-N 3.11Å
326Q43.5Very low42Very low147 Ų147123.6 Ų123.669%0.68768%0.679SS**Hα-helixtrans-74.7-31.4174.6-89.7-177.4-2500113.4A330Q326-A330 PolarHBondContact O-N 3.27Å
327A42.2Very low41.6Very low61 Ų61119.4 Ų119.450%0.50468%0.678SS.*Hα-helixtrans-71.4-33.7176.400000112.8
328A42.7Very low40.8Very low66 Ų66119.8 Ų119.855%0.54568%0.681SS.*Hα-helixtrans-75.4-30.5179.400000113.4
329L45.9Very low40.3Very low124 Ų124115.5 Ų115.565%0.64968%0.679SS**Hα-helixtrans-78.7-31.1178-77.3159.7000112.7T325 Q331 S332T325-L329 WeakPolarHBondContact O-CD1 3.49Å; T325-L329 PolarHBondContact O-N 3.11Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 2.98Å; L329-S332 PolarHBondContact O-N 3.17Å
330A42.8Very low39.7Very low67 Ų67117.7 Ų117.755%0.55469%0.686SS**Hα-helixtrans-74.3-18.4178.900000114.4Q326Q326-A330 PolarHBondContact O-N 3.27Å
331Q42.1Very low39.3Very low156 Ų156114.8 Ų114.873%0.72968%0.684SS**Hα-helixtrans-87.9-18.6176-90173.5-18.400113.6L329L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 2.98Å
332S38.2Very low38.8Very low89 Ų89116.9 Ų116.962%0.62269%0.689SS**Hα-helixtrans-83.1-22.8179.8-166.10000113.6L329L329-S332 PolarHBondContact O-N 3.17Å
333E42Very low38.2Very low171 Ų171124 Ų12480%0.79971%0.705SS**SBendtrans-90.6-7.3-176.9-75.2-177.3154.200114.2
334R37Very low38.3Very low231 Ų231124.2 Ų124.287%0.87271%0.713SS**SBendtrans-96.2-2.1-175.5-148.9171.6-150.9-159.24.2115.4
335S36.7Very low37.9Very low105 Ų105129.8 Ų129.873%0.73473%0.73SS**SBendtrans-110.912.7-173.5-60.90000114.7
336T38.7Very low37.3Very low116 Ų116130 Ų13071%0.71274%0.741SS**SBendtrans-134.835.9-171.6-11.50000115.1
337V37.9Very low36.7Very low137 Ų137127.6 Ų127.683%0.8375%0.746SS**  trans-148.586.9165.2-171.70000112.1
338T30.5Very low36.2Very low134 Ų134129.2 Ų129.282%0.82275%0.754SS**  trans173.6118152.519.40000103.7
339T31.7Very low35.7Very low132 Ų132135.2 Ų135.281%0.8177%0.771SS**  cis-174133.245.815.40000105.3
340D29.4Very low34.9Very low160 Ų160132.5 Ų132.586%0.85677%0.772SS**  -164.1137.3126.6-137.2-17.5000111.4
341A33.5Very low34.4Very low86 Ų86136.7 Ų136.771%0.71179%0.785SS**  trans-139.2113.1178.500000108
342T31.3Very low33.9Very low126 Ų126136.9 Ų136.977%0.77379%0.79SS**  trans-163.1113.2148.5-7.30000114
343R30.9Very low33.5Very low241 Ų241143.8 Ų143.891%0.90980%0.802SS**  trans76153.8140.4-84.1-168.8169.9154.8-1.5122.6
344P42.8Very low34Very low120 Ų120140.6 Ų140.678%0.77980%0.796SS**  trans-122.6170.4-140.734.3-13.6000115.5
345D32.9Very low33.6Very low168 Ų168135.5 Ų135.590%0.89880%0.796SS**  trans-62.1152.9179.9-66.6-44.5000115.6
346A30.9Very low33.5Very low93 Ų93137.8 Ų137.877%0.76980%0.8SS**  trans-108.1132.6167.900000110.9
347A31.3Very low33.2Very low96 Ų96138 Ų13879%0.79381%0.806SS**  trans60.2142.6146.500000118.1
348S31.4Very low32.9Very low96 Ų96141.6 Ų141.667%0.67181%0.807SS**  cis-179.3152.98-116.60000107.5
349Q31.5Very low34Very low192 Ų192140.1 Ų140.190%0.89780%0.799SS**  trans68.2137.9150.7-61.6170.3200118.3
350G29.7Very low34Very low66 Ų66142.3 Ų142.368%0.6881%0.805SS**  cis178.8150.92.400000111.8
351L31.5Very low34.2Very low156 Ų156139.6 Ų139.682%0.81780%0.799SS**  trans62.1113.8140.5-66.3154.1000122.2
352L31.8Very low34Very low159 Ų159140.1 Ų140.183%0.83280%0.797SS**  82.7112.5126.1-62171000122.1
353R30.8Very low34.1Very low235 Ų235143 Ų14389%0.88780%0.799SS**  trans-69-174.7148.7-115.1-175.8171172.5-1.8110.8
354P51Low34.2Very low103 Ų103136.4 Ų136.467%0.66979%0.786SS**  cis-136.8-178.5-25.134.4-14.9000112.9
355S30.5Very low33.7Very low124 Ų124139.3 Ų139.387%0.86779%0.789SS**  155.2147.212352.90000115.3
356N34.1Very low33.9Very low154 Ų154136.5 Ų136.582%0.82478%0.782SS**  trans-83.3153.7-175.6-76.4-29.6000113.6
357S31.8Very low35Very low120 Ų120137.1 Ų137.184%0.83978%0.779SS**  trans-161.2122.4145510000112.2
358Y32Very low35.4Very low213 Ų213140.6 Ų140.684%0.83578%0.778SS**  trans-67.6-168168-80.2-83.8000112.5
359P52.8Low35.7Very low103 Ų103142.8 Ų142.867%0.66978%0.783SS**  -131.3173.6-52.434.9-19.2000111.6
360L32.3Very low36.2Very low177 Ų177138.6 Ų138.693%0.92778%0.775SS**  trans-155.5124.9149.6-120.6122.8000112.7
361S33.2Very low37Very low104 Ų104140 Ų14073%0.72778%0.78SS**  trans-112.3140.8170.352.60000109
362S30.4Very low37.5Very low97 Ų97144.5 Ų144.568%0.67880%0.803SS**  trans159.2166.8134.355.80000112.5
363F33.6Very low37.8Very low185 Ų185143.8 Ų143.881%0.81180%0.802SS**  trans86.5129.4-175.8-66.8-87.3000116.8
364T32.9Very low38.2Very low103 Ų103138.9 Ų138.963%0.63280%0.798SS**  cis-177.5145.7-29.215.20000106.5
365Q32.1Very low37.4Very low182 Ų182140.9 Ų140.985%0.8581%0.805SS**  trans59.1113.5143.8-78.1171.1-36.500123.2
366S36.1Very low37.8Very low108 Ų108141.9 Ų141.976%0.75580%0.801SS**  -14.1165.3129.8-119.40000118.7
367P53.8Low38.1Very low106 Ų106141.2 Ų141.269%0.68880%0.8SS**  cis-147.8167.242.137.9-14.7000120.2
368Q40.2Very low38.5Very low169 Ų169142.6 Ų142.679%0.7980%0.797SS**  trans30.6132.1141.5-67.9175.3-41.400122.6
369D37.8Very low39Very low142 Ų142137.6 Ų137.676%0.75979%0.794SS**  170.9123.8109.4-95.8-27.8000109.3
370S41.5Very low37.9Very low105 Ų105140.2 Ų140.273%0.73480%0.804SS**  108.2115.664.9-77.70000111.1
371A46.3Very low38.4Very low96 Ų96137.2 Ų137.279%0.79379%0.794SS**  trans33.2124148.200000122.1
372L42.6Very low38.8Very low249 Ų249140.2 Ų140.2100%1.30480%0.8SS**  -158.30117.7-111.3155000111

Retrieved 372 of 372 residues in 469.1 ms (Link to these results)

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