A0A087YJX3_POEFO Loading...

Charged multivesicular body protein 2A

AlphaFold DB , UniProt , Accession A0A087YJX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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
1M43.3Very low62.9Low204 Ų204150.1 Ų150.1100%1.00573%0.733SS**  0-26.50-81.3176175.400114F3 L4M1-F3 PolarHBondContact O-N 3.01Å; M1-F3 VanDerWaalsContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.31Å
2E45.6Very low64.3Low165 Ų165144.6 Ų144.677%0.77171%0.705SS**THydrogen-bonded Turntrans-62.1-14.9-179.9-66.5-172.711700116.4
3F55.7Low65.8Low209 Ų209141.1 Ų141.192%0.91769%0.686SS**THydrogen-bonded Turntrans-82.6-18.3177.8-164-100.6000113.6M1M1-F3 PolarHBondContact O-N 3.01Å; M1-F3 VanDerWaalsContact O-N 3.09Å
4L60.5Low66.9Low145 Ų145138.1 Ų138.176%0.75967%0.672SS**THydrogen-bonded Turntrans-101.2-20.6-175.1-80.8160.5000113.8M1M1-L4 PolarHBondContact O-N 3.31Å
5F62.3Low68.1Low170 Ų170131 Ų13175%0.74664%0.638SS**SBendtrans-118.9101.5171.7-65.9-81.5000107.8K7F5-K7 PolarHBondContact O-N 3.21Å
6G61.3Low69.2Low69 Ų69131.7 Ų131.771%0.71163%0.632SS**  trans-50.3136.3-17400000112.2R8G6-R8 PolarHBondContact O-N 3.26Å; G6-R8 VanDerWaalsContact O-N 3.12Å
7K63.6Low70.3Confident183 Ų183129.5 Ų129.580%0.79662%0.621SS**  trans-43.8119.4-174.9-65.4-174.9178.2-174.50110.6F5 K9F5-K7 PolarHBondContact O-N 3.21Å; K7-K9 PolarHBondContact O-N 3.14Å; K7-K9 VanDerWaalsContact O-N 3.09Å
8R67.3Low71.2Confident243 Ų243126.8 Ų126.892%0.91761%0.611SS**PPolyproline II helixtrans-57.1118.3172.6-71.2-174.4177.3-172.6-0.9107.4G6 T10G6-R8 PolarHBondContact O-N 3.26Å; G6-R8 VanDerWaalsContact O-N 3.12Å; R8-T10 PolarHBondContact O-N 3.34Å
9K72.6Confident72.2Confident111 Ų111122.2 Ų122.248%0.48359%0.588SS.*PPolyproline II helixtrans-55.6133.8-178.9-72173.8-177.3166.10109.4K7 E13 M14K7-K9 PolarHBondContact O-N 3.14Å; K7-K9 VanDerWaalsContact O-N 3.09Å; K9-E13 WeakPolarHBondContact CA-OE2 3.38Å; K9-E13 HydrophobicContact CB-CB 4.2Å; K9-M14 HydrophobicContact CB-CG 3.68Å; K9-M14 HydrophobicContact CB-SD 4.44Å; K9-M14 HydrophobicContact CD-CG 4.44Å
10T82.2Confident73.2Confident67 Ų67125 Ų12541%0.41159%0.592SS.*PPolyproline II helixtrans-63.7155.6173.362.80000110R8 E12 E13 M14R8-T10 PolarHBondContact O-N 3.34Å; T10-E12 PolarHBondContact O-N 2.89Å; T10-E13 PolarHBondContact N-OE2 2.85Å; T10-E13 PolarHBondContact O-N 3.36Å; T10-E13 WeakPolarHBondContact OG1-CB 3.25Å; T10-E13 VanDerWaalsContact OG1-CG 3.23Å; T10-E13 WeakPolarHBondContact OG1-CG 3.26Å; T10-E13 PolarHBondContact OG1-N 2.76Å; T10-E13 PolarHBondContact OG1-OE2 3.34Å; T10-E13 VanDerWaalsContact OG1-OE2 3.09Å; T10-M14 PolarHBondContact O-N 3.11Å
11P77.4Confident74.1Confident85 Ų85121.6 Ų121.655%0.55259%0.585SS**Hα-helixtrans-53.7-36.1174.4-28.236.2000112.8M14 L15P11-M14 PolarHBondContact O-N 3.29Å; P11-L15 WeakPolarHBondContact O-CB 3.41Å; P11-L15 VanDerWaalsContact O-CG 3.25Å; P11-L15 WeakPolarHBondContact O-CG 3.48Å; P11-L15 PolarHBondContact O-N 3.1Å
12E79.4Confident76.4Confident84 Ų84113.5 Ų113.539%0.39355%0.546SS..Hα-helixtrans-66-40.6174.8-67.4-167.2-169.400113.6T10 M14 L15 R16T10-E12 PolarHBondContact O-N 2.89Å; E12-M14 VanDerWaalsContact C-N 3.35Å; E12-L15 PolarHBondContact O-N 2.92Å; E12-R16 WeakPolarHBondContact O-CB 3.34Å; E12-R16 VanDerWaalsContact O-CG 3.25Å; E12-R16 WeakPolarHBondContact O-CG 3.5Å; E12-R16 PolarHBondContact O-N 3.35Å
13E84.1Confident78.6Confident99 Ų99108.4 Ų108.446%0.46352%0.524SS..Hα-helixtrans-65.8-38.9175.9-74.8167.3149.200111.5K9 T10 R16 Q17K9-E13 WeakPolarHBondContact CA-OE2 3.38Å; K9-E13 HydrophobicContact CB-CB 4.2Å; T10-E13 PolarHBondContact N-OE2 2.85Å; T10-E13 PolarHBondContact O-N 3.36Å; T10-E13 WeakPolarHBondContact OG1-CB 3.25Å; T10-E13 VanDerWaalsContact OG1-CG 3.23Å; T10-E13 WeakPolarHBondContact OG1-CG 3.26Å; T10-E13 PolarHBondContact OG1-N 2.76Å; T10-E13 PolarHBondContact OG1-OE2 3.34Å; T10-E13 VanDerWaalsContact OG1-OE2 3.09Å; E13-R16 PolarHBondContact O-N 3.09Å; E13-Q17 WeakPolarHBondContact O-CB 3.43Å; E13-Q17 PolarHBondContact O-N 3.14Å
14M81.6Confident80.5Confident99 Ų99106.5 Ų106.549%0.48851%0.511SS..Hα-helixtrans-66.1-46.9174.7-63.2-145.1-6300111.7K9 T10 P11 E12 R16 Q17 N18K9-M14 HydrophobicContact CB-CG 3.68Å; K9-M14 HydrophobicContact CB-SD 4.44Å; K9-M14 HydrophobicContact CD-CG 4.44Å; T10-M14 PolarHBondContact O-N 3.11Å; P11-M14 PolarHBondContact O-N 3.29Å; E12-M14 VanDerWaalsContact C-N 3.35Å; M14-R16 VanDerWaalsContact C-N 3.35Å; M14-R16 PolarHBondContact O-N 3.08Å; M14-Q17 PolarHBondContact O-N 2.93Å; M14-N18 WeakPolarHBondContact O-CB 3.49Å; M14-N18 VanDerWaalsContact O-CG 3.26Å; M14-N18 PolarHBondContact O-N 3.05Å
15L84Confident82.1Confident32 Ų32101.3 Ų101.317%0.16849%0.488CS..Hα-helixtrans-58.4-44.7174.5-70.7167.1000111.4P11 E12 Q17 N18 Q19 I90 K94P11-L15 WeakPolarHBondContact O-CB 3.41Å; P11-L15 VanDerWaalsContact O-CG 3.25Å; P11-L15 WeakPolarHBondContact O-CG 3.48Å; P11-L15 PolarHBondContact O-N 3.1Å; E12-L15 PolarHBondContact O-N 2.92Å; L15-Q17 PolarHBondContact O-N 2.94Å; L15-N18 PolarHBondContact O-N 3.06Å; L15-Q19 WeakPolarHBondContact O-CB 3.47Å; L15-Q19 PolarHBondContact O-N 3.36Å; L15-I90 HydrophobicContact CD2-CG2 3.99Å; L15-K94 HydrophobicContact CD1-CB 4.42Å
16R86Confident83.6Confident142 Ų14294.1 Ų94.154%0.53646%0.458SS..Hα-helixtrans-64.2-37.3175.6-74.7176.6-176.7-152.62.7112.8E12 E13 M14 R20E12-R16 WeakPolarHBondContact O-CB 3.34Å; E12-R16 VanDerWaalsContact O-CG 3.25Å; E12-R16 WeakPolarHBondContact O-CG 3.5Å; E12-R16 PolarHBondContact O-N 3.35Å; E13-R16 PolarHBondContact O-N 3.09Å; M14-R16 VanDerWaalsContact C-N 3.35Å; M14-R16 PolarHBondContact O-N 3.08Å; R16-R20 VanDerWaalsContact O-CG 3.31Å; R16-R20 WeakPolarHBondContact O-CG 3.5Å; R16-R20 PolarHBondContact O-N 2.85Å
17Q88.6Confident85.2Confident95 Ų9598.3 Ų98.344%0.44445%0.452SS..Hα-helixtrans-68-47.2176.6-177.7179.8-1400111E13 M14 L15 Q19 R20 A21E13-Q17 WeakPolarHBondContact O-CB 3.43Å; E13-Q17 PolarHBondContact O-N 3.14Å; M14-Q17 PolarHBondContact O-N 2.93Å; L15-Q17 PolarHBondContact O-N 2.94Å; Q17-Q19 PolarHBondContact O-N 2.98Å; Q17-R20 WeakPolarHBondContact O-CB 3.45Å; Q17-R20 PolarHBondContact O-N 3.29Å; Q17-R20 VanDerWaalsContact O-N 3.12Å; Q17-A21 PolarHBondContact O-N 2.87Å
18N87Confident86.7Confident81 Ų8192.8 Ų92.843%0.43343%0.431SS..Hα-helixtrans-62.6-44.2179.6-67.6-6.9000110.6M14 L15 R20 A21 L22 I90M14-N18 WeakPolarHBondContact O-CB 3.49Å; M14-N18 VanDerWaalsContact O-CG 3.26Å; M14-N18 PolarHBondContact O-N 3.05Å; L15-N18 PolarHBondContact O-N 3.06Å; N18-R20 VanDerWaalsContact C-N 3.26Å; N18-R20 PolarHBondContact O-N 3.28Å; N18-A21 WeakPolarHBondContact O-CA 3.43Å; N18-A21 WeakPolarHBondContact O-CB 3.35Å; N18-A21 PolarHBondContact O-N 3.37Å; N18-L22 WeakPolarHBondContact O-CG 3.49Å; N18-L22 PolarHBondContact O-N 3.46Å; N18-I90 HydrophobicContact CB-CD1 4.2Å
19Q88.7Confident88Confident39 Ų3982.1 Ų82.118%0.18239%0.392CS..Hα-helixtrans-56.3-38.9173.7-164.664.322.200112.7L15 Q17 N23 S87 I90L15-Q19 WeakPolarHBondContact O-CB 3.47Å; L15-Q19 PolarHBondContact O-N 3.36Å; Q17-Q19 PolarHBondContact O-N 2.98Å; Q19-N23 VanDerWaalsContact O-CB 3.3Å; Q19-N23 WeakPolarHBondContact O-CB 3.35Å; Q19-N23 VanDerWaalsContact O-CG 3.25Å; Q19-N23 PolarHBondContact O-N 2.9Å; Q19-N23 VanDerWaalsContact O-N 3.09Å; Q19-N23 PolarHBondContact O-ND2 3.47Å; Q19-S87 PolarHBondContact NE2-OG 3.07Å; Q19-S87 PolarHBondContact OE1-O 2.82Å; Q19-I90 VanDerWaalsContact OE1-CG2 3.24Å
20R92Very high89.1Confident177 Ų17778.3 Ų78.367%0.66838%0.377SS*.Hα-helixtrans-70.7-34.4175.3-72.8171.1178.1-172.4-0.6112.5R16 Q17 N18 R24R16-R20 VanDerWaalsContact O-CG 3.31Å; R16-R20 WeakPolarHBondContact O-CG 3.5Å; R16-R20 PolarHBondContact O-N 2.85Å; Q17-R20 WeakPolarHBondContact O-CB 3.45Å; Q17-R20 PolarHBondContact O-N 3.29Å; Q17-R20 VanDerWaalsContact O-N 3.12Å; N18-R20 VanDerWaalsContact C-N 3.26Å; N18-R20 PolarHBondContact O-N 3.28Å; R20-R24 WeakPolarHBondContact O-CG 3.43Å; R20-R24 PolarHBondContact O-N 3.31Å
21A92Very high89.8Confident54 Ų5482.4 Ų82.445%0.44639%0.385SS..Hα-helixtrans-67.8-48.7176.300000111.3Q17 N18 N23 R24 A25Q17-A21 PolarHBondContact O-N 2.87Å; N18-A21 WeakPolarHBondContact O-CA 3.43Å; N18-A21 WeakPolarHBondContact O-CB 3.35Å; N18-A21 PolarHBondContact O-N 3.37Å; A21-N23 VanDerWaalsContact C-N 3.33Å; A21-N23 PolarHBondContact O-N 3.27Å; A21-R24 WeakPolarHBondContact O-CB 3.46Å; A21-R24 PolarHBondContact O-N 3.21Å; A21-A25 PolarHBondContact O-N 3.2Å
22L91.9Very high90.6Very high34 Ų3482.7 Ų82.718%0.17838%0.379CS..Hα-helixtrans-59-43.1175-61-179.5000111.6N18 R24 A25 M26 I83 V86 I90N18-L22 WeakPolarHBondContact O-CG 3.49Å; N18-L22 PolarHBondContact O-N 3.46Å; L22-R24 PolarHBondContact O-N 3.43Å; L22-A25 PolarHBondContact O-N 3.21Å; L22-M26 WeakPolarHBondContact O-CG 3.3Å; L22-M26 PolarHBondContact O-N 3.48Å; L22-I83 HydrophobicContact CB-CG2 3.97Å; L22-I83 HydrophobicContact CD2-CG2 4.11Å; L22-V86 HydrophobicContact CD1-CG1 3.94Å; L22-I90 HydrophobicContact CD1-CD1 3.68Å
23N92.9Very high91.4Very high59 Ų5980.5 Ų80.532%0.31637%0.367SS..Hα-helixtrans-62.7-24.5174.9-81.6-37.2000114.6Q19 A21 M26 R27Q19-N23 VanDerWaalsContact O-CB 3.3Å; Q19-N23 WeakPolarHBondContact O-CB 3.35Å; Q19-N23 VanDerWaalsContact O-CG 3.25Å; Q19-N23 PolarHBondContact O-N 2.9Å; Q19-N23 VanDerWaalsContact O-N 3.09Å; Q19-N23 PolarHBondContact O-ND2 3.47Å; A21-N23 VanDerWaalsContact C-N 3.33Å; A21-N23 PolarHBondContact O-N 3.27Å; N23-M26 HydrophobicContact CB-CE 4.46Å; N23-M26 WeakPolarHBondContact OD1-CE 3.36Å; N23-R27 WeakPolarHBondContact O-CD 3.28Å; N23-R27 WeakPolarHBondContact O-CG 3.49Å; N23-R27 PolarHBondContact O-NE 3.44Å
24R95.6Very high92Very high169 Ų16980.1 Ų80.164%0.63837%0.366SS*.Hα-helixtrans-78.8-51.1170.7-71.9173.3-175.6-175-0.6110R20 A21 L22 M26 R27 D28R20-R24 WeakPolarHBondContact O-CG 3.43Å; R20-R24 PolarHBondContact O-N 3.31Å; A21-R24 WeakPolarHBondContact O-CB 3.46Å; A21-R24 PolarHBondContact O-N 3.21Å; L22-R24 PolarHBondContact O-N 3.43Å; R24-M26 VanDerWaalsContact C-N 3.3Å; R24-M26 PolarHBondContact O-N 2.88Å; R24-R27 WeakPolarHBondContact O-CA 3.4Å; R24-R27 WeakPolarHBondContact O-CB 3.45Å; R24-R27 PolarHBondContact O-N 3.16Å; R24-D28 PolarHBondContact O-N 3.41Å
25A93.4Very high92.8Very high35 Ų3581.9 Ų81.929%0.28937%0.371SS..Hα-helixtrans-51.5-46.2178.100000112.2A21 L22 R27 D28 L29 I83A21-A25 PolarHBondContact O-N 3.2Å; L22-A25 PolarHBondContact O-N 3.21Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 2.84Å; A25-D28 PolarHBondContact O-N 3.3Å; A25-D28 VanDerWaalsContact O-N 3.16Å; A25-L29 WeakPolarHBondContact O-CG 3.49Å; A25-L29 PolarHBondContact O-N 2.9Å; A25-I83 HydrophobicContact CB-CD1 4.03Å
26M93.7Very high93.3Very high20 Ų2081.8 Ų81.810%0.09937%0.371CS..Hα-helixtrans-56.6-39.8175.4-71.4-170.9-75.100113.7L22 N23 R24 D30 I83 Q84L22-M26 WeakPolarHBondContact O-CG 3.3Å; L22-M26 PolarHBondContact O-N 3.48Å; N23-M26 HydrophobicContact CB-CE 4.46Å; N23-M26 WeakPolarHBondContact OD1-CE 3.36Å; R24-M26 VanDerWaalsContact C-N 3.3Å; R24-M26 PolarHBondContact O-N 2.88Å; M26-D30 WeakPolarHBondContact O-CB 3.39Å; M26-D30 PolarHBondContact O-N 3.01Å; M26-I83 HydrophobicContact CG-CB 4.11Å; M26-I83 HydrophobicContact CG-CG2 3.42Å; M26-I83 VanDerWaalsContact CG-CG2 3.42Å; M26-I83 HydrophobicContact SD-CG2 4.12Å; M26-Q84 HydrophobicContact SD-CB 4.38Å; M26-Q84 HydrophobicContact SD-CG 3.32Å; M26-Q84 WeakPolarHBondContact SD-CG 3.25Å
27R95.9Very high93.7Very high157 Ų15777.7 Ų77.759%0.59236%0.358SS*.Hα-helixtrans-73.7-34179.2-65.8171.1-172.1173.61.1112N23 R24 A25 D30 R31N23-R27 WeakPolarHBondContact O-CD 3.28Å; N23-R27 WeakPolarHBondContact O-CG 3.49Å; N23-R27 PolarHBondContact O-NE 3.44Å; R24-R27 WeakPolarHBondContact O-CA 3.4Å; R24-R27 WeakPolarHBondContact O-CB 3.45Å; R24-R27 PolarHBondContact O-N 3.16Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 2.84Å; R27-D30 PolarHBondContact O-N 2.78Å; R27-R31 WeakPolarHBondContact O-CD 3.43Å; R27-R31 WeakPolarHBondContact O-CG 3.31Å; R27-R31 PolarHBondContact O-N 3.32Å
28D95.1Very high94.1Very high66 Ų6679 Ų7935%0.35336%0.364SS..Hα-helixtrans-74-39.8178.4-63.3-38.2000110.5R24 A25 D30 R31 E32R24-D28 PolarHBondContact O-N 3.41Å; A25-D28 PolarHBondContact O-N 3.3Å; A25-D28 VanDerWaalsContact O-N 3.16Å; D28-D30 PolarHBondContact O-N 3.1Å; D28-R31 WeakPolarHBondContact O-CB 3.2Å; D28-R31 PolarHBondContact O-N 3.29Å; D28-R31 IonicContact OD1-CZ 3.91Å; D28-R31 IonicContact OD1-NE 3.27Å; D28-R31 IonicContact OD1-NH1 2.69Å; D28-R31 PolarHBondContact OD1-NH1 3.24Å; D28-E32 WeakPolarHBondContact O-CG 3.27Å; D28-E32 PolarHBondContact O-N 3.41Å
29L93.7Very high94.5Very high19 Ų1979.3 Ų79.310%0.09936%0.362CS..Hα-helixtrans-58.9-43.3166.3-65.6-175.7000112.3A25 R31 E32 R33 F76 M79 K80 I83A25-L29 WeakPolarHBondContact O-CG 3.49Å; A25-L29 PolarHBondContact O-N 2.9Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 3.11Å; L29-E32 PolarHBondContact O-N 3.13Å; L29-R33 WeakPolarHBondContact O-CB 3.33Å; L29-R33 PolarHBondContact O-N 3.24Å; L29-F76 HydrophobicContact CB-CD1 4.1Å; L29-F76 HydrophobicContact CD2-CD1 3.64Å; L29-F76 HydrophobicContact CD2-CE1 3.55Å; L29-F76 HydrophobicContact CG-CD1 4.41Å; L29-M79 HydrophobicContact CD1-CB 3.97Å; L29-M79 HydrophobicContact CD2-CE 4.05Å; L29-K80 HydrophobicContact CD1-CB 4.37Å; L29-I83 HydrophobicContact CD1-CD1 3.67Å
30D95.1Very high94.7Very high32 Ų3279.1 Ų79.117%0.17136%0.362CS..Hα-helixtrans-59.8-41.7175-88.1-40.3000111.9M26 R27 D28 R33 M34 K80M26-D30 WeakPolarHBondContact O-CB 3.39Å; M26-D30 PolarHBondContact O-N 3.01Å; R27-D30 PolarHBondContact O-N 2.78Å; D28-D30 PolarHBondContact O-N 3.1Å; D30-R33 IonicContact OD1-CZ 2.66Å; D30-R33 IonicContact OD1-NH1 2.69Å; D30-R33 PolarHBondContact OD1-NH1 3.15Å; D30-R33 IonicContact OD1-NH2 3.67Å; D30-M34 HydrophobicContact CB-CE 4.45Å; D30-M34 VanDerWaalsContact O-CG 3.27Å; D30-M34 WeakPolarHBondContact O-CG 3.25Å; D30-M34 PolarHBondContact O-N 2.91Å; D30-K80 WeakPolarHBondContact OD1-CD 3.25Å; D30-K80 IonicContact OD1-NZ 2.91Å; D30-K80 PolarHBondContact OD1-NZ 3.2Å; D30-K80 WeakPolarHBondContact OD2-CE 3.36Å; D30-K80 IonicContact OD2-NZ 3.53Å; D30-K80 PolarHBondContact OD2-NZ 3.3Å
31R97Very high94.9Very high152 Ų15277.6 Ų77.657%0.57436%0.36SS*.Hα-helixtrans-66.7-41.2177.3-71.8159.6172.2179.5-10.8112.2R27 D28 L29 M34 K35R27-R31 WeakPolarHBondContact O-CD 3.43Å; R27-R31 WeakPolarHBondContact O-CG 3.31Å; R27-R31 PolarHBondContact O-N 3.32Å; D28-R31 WeakPolarHBondContact O-CB 3.2Å; D28-R31 PolarHBondContact O-N 3.29Å; D28-R31 IonicContact OD1-CZ 3.91Å; D28-R31 IonicContact OD1-NE 3.27Å; D28-R31 IonicContact OD1-NH1 2.69Å; D28-R31 PolarHBondContact OD1-NH1 3.24Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 3.11Å; R31-M34 PolarHBondContact O-N 2.88Å; R31-K35 WeakPolarHBondContact O-CG 3.38Å; R31-K35 PolarHBondContact O-N 3.03Å; R31-K35 VanDerWaalsContact O-N 3.13Å
32E95.4Very high95.1Very high91 Ų9181.6 Ų81.643%0.42537%0.367SS..Hα-helixtrans-68.6-42178.2-73.2-179173.900111.3D28 L29 M34 K35 L36 F76D28-E32 WeakPolarHBondContact O-CG 3.27Å; D28-E32 PolarHBondContact O-N 3.41Å; L29-E32 PolarHBondContact O-N 3.13Å; E32-M34 PolarHBondContact O-N 3.31Å; E32-K35 WeakPolarHBondContact O-CB 3.29Å; E32-K35 PolarHBondContact O-N 3.48Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-L36 PolarHBondContact O-N 3.36Å; E32-F76 HydrophobicContact CB-CD1 4.3Å; E32-F76 HydrophobicContact CB-CE1 3.62Å; E32-F76 HydrophobicContact CB-CZ 3.85Å; E32-F76 VanDerWaalsContact OE2-CE1 3.26Å; E32-F76 WeakPolarHBondContact OE2-CE1 3.4Å; E32-F76 WeakPolarHBondContact OE2-CZ 3.47Å
33R96.1Very high95.1Very high39 Ų3980.7 Ų80.715%0.14736%0.363CS..Hα-helixtrans-57-47.2171.7-162.7-16771-107.6-10.2111.8L29 D30 K35 L36 E37 V73 F76L29-R33 WeakPolarHBondContact O-CB 3.33Å; L29-R33 PolarHBondContact O-N 3.24Å; D30-R33 IonicContact OD1-CZ 2.66Å; D30-R33 IonicContact OD1-NH1 2.69Å; D30-R33 PolarHBondContact OD1-NH1 3.15Å; D30-R33 IonicContact OD1-NH2 3.67Å; R33-K35 VanDerWaalsContact C-N 3.28Å; R33-K35 PolarHBondContact O-N 3.31Å; R33-L36 PolarHBondContact O-N 3.36Å; R33-L36 VanDerWaalsContact O-N 3.11Å; R33-E37 WeakPolarHBondContact CD-OE1 3.18Å; R33-E37 IonicContact CZ-OE1 2.71Å; R33-E37 IonicContact NE-OE1 2.88Å; R33-E37 PolarHBondContact NE-OE1 3.25Å; R33-E37 IonicContact NH2-OE1 3.7Å; R33-E37 PolarHBondContact NH2-OE1 2.86Å; R33-E37 WeakPolarHBondContact O-CG 3.27Å; R33-E37 PolarHBondContact O-N 2.89Å; R33-V73 HydrophobicContact CG-CG1 3.94Å; R33-F76 HydrophobicContact CB-CB 4.1Å; R33-F76 HydrophobicContact CG-CB 4.14Å
34M97Very high95.1Very high90 Ų9079.6 Ų79.644%0.44336%0.356SS..Hα-helixtrans-61.3-33.1177.1-71.7174.4-159.100113.3D30 R31 E32 Q38D30-M34 HydrophobicContact CB-CE 4.45Å; D30-M34 VanDerWaalsContact O-CG 3.27Å; D30-M34 WeakPolarHBondContact O-CG 3.25Å; D30-M34 PolarHBondContact O-N 2.91Å; R31-M34 PolarHBondContact O-N 2.88Å; E32-M34 PolarHBondContact O-N 3.31Å; M34-Q38 VanDerWaalsContact O-CG 3.27Å; M34-Q38 WeakPolarHBondContact O-CG 3.34Å; M34-Q38 PolarHBondContact O-N 3.23Å; M34-Q38 VanDerWaalsContact O-N 3.15Å
35K96.6Very high95.1Very high137 Ų13774.2 Ų74.260%0.59635%0.348SS*.Hα-helixtrans-67.8-43173.3-70.6171.1-176.21750111.2R31 E32 R33 Q38 Q39R31-K35 WeakPolarHBondContact O-CG 3.38Å; R31-K35 PolarHBondContact O-N 3.03Å; R31-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 WeakPolarHBondContact O-CB 3.29Å; E32-K35 PolarHBondContact O-N 3.48Å; E32-K35 VanDerWaalsContact O-N 3.13Å; R33-K35 VanDerWaalsContact C-N 3.28Å; R33-K35 PolarHBondContact O-N 3.31Å; K35-Q38 WeakPolarHBondContact O-CB 3.44Å; K35-Q38 PolarHBondContact O-N 2.94Å; K35-Q39 PolarHBondContact O-N 3.3Å
36L95.4Very high95Very high30 Ų3076 Ų7616%0.15735%0.353CS..Hα-helixtrans-65.6-41.9176.9-68.3172.1000111.8E32 R33 Q38 Q39 E40 T69 V73 F76E32-L36 PolarHBondContact O-N 3.36Å; R33-L36 PolarHBondContact O-N 3.36Å; R33-L36 VanDerWaalsContact O-N 3.11Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 2.88Å; L36-Q39 CarbonylContact O-C 3.57Å; L36-Q39 PolarHBondContact O-N 3.46Å; L36-Q39 VanDerWaalsContact O-N 3.1Å; L36-E40 WeakPolarHBondContact O-CB 3.37Å; L36-E40 PolarHBondContact O-N 3.24Å; L36-T69 HydrophobicContact CB-CG2 4.32Å; L36-T69 HydrophobicContact CD2-CG2 4.4Å; L36-V73 HydrophobicContact CB-CG2 3.67Å; L36-F76 HydrophobicContact CD1-CD2 3.58Å; L36-F76 HydrophobicContact CD1-CE2 3.5Å
37E95.3Very high94.9Very high56 Ų5675.1 Ų75.126%0.26235%0.348SS..Hα-helixtrans-59.6-33.5172.2-70.6167.7-166.400112.6R33 K41 V73R33-E37 WeakPolarHBondContact CD-OE1 3.18Å; R33-E37 IonicContact CZ-OE1 2.71Å; R33-E37 IonicContact NE-OE1 2.88Å; R33-E37 PolarHBondContact NE-OE1 3.25Å; R33-E37 IonicContact NH2-OE1 3.7Å; R33-E37 PolarHBondContact NH2-OE1 2.86Å; R33-E37 WeakPolarHBondContact O-CG 3.27Å; R33-E37 PolarHBondContact O-N 2.89Å; E37-K41 WeakPolarHBondContact O-CG 3.26Å; E37-K41 PolarHBondContact O-N 3Å; E37-V73 HydrophobicContact CG-CG1 4.4Å; E37-V73 HydrophobicContact CG-CG2 4.43Å
38Q96.8Very high94.7Very high121 Ų12171.5 Ų71.557%0.56534%0.337SS*.Hα-helixtrans-75.1-35.7173.7-73.1173.723.900112.3M34 K35 L36 K42M34-Q38 VanDerWaalsContact O-CG 3.27Å; M34-Q38 WeakPolarHBondContact O-CG 3.34Å; M34-Q38 PolarHBondContact O-N 3.23Å; M34-Q38 VanDerWaalsContact O-N 3.15Å; K35-Q38 WeakPolarHBondContact O-CB 3.44Å; K35-Q38 PolarHBondContact O-N 2.94Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 2.88Å; Q38-K42 WeakPolarHBondContact O-CG 3.46Å; Q38-K42 PolarHBondContact O-N 3.19Å
39Q94.7Very high94.6Very high88 Ų8874 Ų7441%0.41134%0.344SS..Hα-helixtrans-67.9-42.8174.1179172.5-19.200111K35 L36 K41 K42 I43K35-Q39 PolarHBondContact O-N 3.3Å; L36-Q39 CarbonylContact O-C 3.57Å; L36-Q39 PolarHBondContact O-N 3.46Å; L36-Q39 VanDerWaalsContact O-N 3.1Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.12Å; Q39-K42 WeakPolarHBondContact O-CA 3.24Å; Q39-K42 WeakPolarHBondContact O-CB 3.4Å; Q39-K42 PolarHBondContact O-N 3.09Å; Q39-I43 HydrophobicContact CG-CD1 3.79Å; Q39-I43 HydrophobicContact CG-CG1 4.28Å; Q39-I43 WeakPolarHBondContact O-CG1 3.48Å; Q39-I43 PolarHBondContact O-N 3.37Å
40E93.4Very high94.5Very high35 Ų3574.7 Ų74.716%0.16435%0.347CS..Hα-helixtrans-52.3-49.9174.1-167.6-168.7171.900110.9L36 K42 I43 I44 L66 T69 R70L36-E40 WeakPolarHBondContact O-CB 3.37Å; L36-E40 PolarHBondContact O-N 3.24Å; E40-K42 VanDerWaalsContact C-N 3.28Å; E40-K42 PolarHBondContact O-N 2.91Å; E40-I43 PolarHBondContact O-N 3.18Å; E40-I44 HydrophobicContact CG-CD1 4.15Å; E40-I44 VanDerWaalsContact O-CG1 3.31Å; E40-I44 WeakPolarHBondContact O-CG1 3.49Å; E40-I44 PolarHBondContact O-N 2.88Å; E40-L66 HydrophobicContact CB-CD1 4.42Å; E40-L66 HydrophobicContact CG-CD1 3.44Å; E40-L66 VanDerWaalsContact CG-CD1 3.44Å; E40-T69 HydrophobicContact CB-CG2 4.03Å; E40-R70 HydrophobicContact CG-CG 4.33Å; E40-R70 VanDerWaalsContact OE1-CG 3.25Å; E40-R70 WeakPolarHBondContact OE1-CG 3.36Å; E40-R70 IonicContact OE1-CZ 3.97Å; E40-R70 IonicContact OE1-NE 2.86Å; E40-R70 PolarHBondContact OE1-NE 3.41Å
41K95.1Very high94.1Very high145 Ų14573.9 Ų73.963%0.6335%0.345SS*.Hα-helixtrans-61.1-33.1177.4-71.4169.9-174.7175.50113.5E37 Q39 A45E37-K41 WeakPolarHBondContact O-CG 3.26Å; E37-K41 PolarHBondContact O-N 3Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.12Å; K41-A45 PolarHBondContact O-N 2.96Å
42K95.9Very high93.7Very high139 Ų13973.8 Ų73.860%0.60435%0.349SS*.Hα-helixtrans-72.3-48.8174.6-69.8175.2-178.4-179.20111.1Q38 Q39 E40 I44 A45 D46Q38-K42 WeakPolarHBondContact O-CG 3.46Å; Q38-K42 PolarHBondContact O-N 3.19Å; Q39-K42 WeakPolarHBondContact O-CA 3.24Å; Q39-K42 WeakPolarHBondContact O-CB 3.4Å; Q39-K42 PolarHBondContact O-N 3.09Å; E40-K42 VanDerWaalsContact C-N 3.28Å; E40-K42 PolarHBondContact O-N 2.91Å; K42-I44 VanDerWaalsContact C-N 3.26Å; K42-I44 PolarHBondContact O-N 2.92Å; K42-A45 WeakPolarHBondContact O-CA 3.26Å; K42-A45 WeakPolarHBondContact O-CB 3.4Å; K42-A45 PolarHBondContact O-N 2.66Å; K42-D46 PolarHBondContact O-N 3.42Å
43I93.4Very high93.5Very high15 Ų1574.4 Ų74.48%0.07735%0.352CS..Hα-helixtrans-55.8-43176.6-65166.3000110.2Q39 E40 A45 D46 I47 M62 D65 L66Q39-I43 HydrophobicContact CG-CD1 3.79Å; Q39-I43 HydrophobicContact CG-CG1 4.28Å; Q39-I43 WeakPolarHBondContact O-CG1 3.48Å; Q39-I43 PolarHBondContact O-N 3.37Å; E40-I43 PolarHBondContact O-N 3.18Å; I43-A45 PolarHBondContact O-N 3.33Å; I43-D46 PolarHBondContact O-N 3.5Å; I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.25Å; I43-I47 WeakPolarHBondContact O-CB 3.43Å; I43-I47 VanDerWaalsContact O-CG1 3.25Å; I43-I47 WeakPolarHBondContact O-CG1 3.45Å; I43-I47 PolarHBondContact O-N 2.8Å; I43-M62 HydrophobicContact CG2-CB 4.49Å; I43-D65 WeakPolarHBondContact CD1-OD2 3.36Å; I43-L66 HydrophobicContact CB-CD1 4.24Å; I43-L66 HydrophobicContact CG2-CB 3.82Å; I43-L66 HydrophobicContact CG2-CD1 4.04Å; I43-L66 HydrophobicContact CG2-CG 4.5Å
44I92.9Very high93Very high36 Ų3675.2 Ų75.219%0.18537%0.373CS..Hα-helixtrans-59.3-45174.3-70.9168.4000112E40 K42 K48 L66 L171E40-I44 HydrophobicContact CG-CD1 4.15Å; E40-I44 VanDerWaalsContact O-CG1 3.31Å; E40-I44 WeakPolarHBondContact O-CG1 3.49Å; E40-I44 PolarHBondContact O-N 2.88Å; K42-I44 VanDerWaalsContact C-N 3.26Å; K42-I44 PolarHBondContact O-N 2.92Å; I44-K48 HydrophobicContact CG2-CD 4.45Å; I44-K48 WeakPolarHBondContact O-CG 3.48Å; I44-K48 PolarHBondContact O-N 3.07Å; I44-L66 HydrophobicContact CD1-CD1 4.13Å; I44-L66 HydrophobicContact CG1-CD1 3.65Å; I44-L66 HydrophobicContact CG1-CD2 3.94Å; I44-L66 HydrophobicContact CG1-CG 4.48Å; I44-L171 HydrophobicContact CB-CD2 4.4Å; I44-L171 HydrophobicContact CD1-CD2 4.46Å; I44-L171 HydrophobicContact CG1-CD2 4.14Å; I44-L171 HydrophobicContact CG2-CD1 4.42Å; I44-L171 HydrophobicContact CG2-CD2 3.53Å
45A94.3Very high92.7Very high56 Ų5675.5 Ų75.546%0.46337%0.373SS..Hα-helixtrans-66-39.4178.700000112K41 K42 I43 K48 K49K41-A45 PolarHBondContact O-N 2.96Å; K42-A45 WeakPolarHBondContact O-CA 3.26Å; K42-A45 WeakPolarHBondContact O-CB 3.4Å; K42-A45 PolarHBondContact O-N 2.66Å; I43-A45 PolarHBondContact O-N 3.33Å; A45-K48 PolarHBondContact O-N 3.22Å; A45-K49 PolarHBondContact O-N 3.24Å
46D93Very high92.2Very high73 Ų7372.9 Ų72.939%0.3936%0.364SS..Hα-helixtrans-69.2-43.9177.2-69.3-37.8000111.4K42 I43 K48 K49 M50 M62K42-D46 PolarHBondContact O-N 3.42Å; I43-D46 PolarHBondContact O-N 3.5Å; D46-K48 VanDerWaalsContact C-N 3.33Å; D46-K48 PolarHBondContact O-N 2.69Å; D46-K49 WeakPolarHBondContact O-CB 3.4Å; D46-K49 PolarHBondContact O-N 2.98Å; D46-M50 VanDerWaalsContact O-CG 3.26Å; D46-M50 WeakPolarHBondContact O-CG 3.34Å; D46-M50 PolarHBondContact O-N 3.14Å; D46-M62 HydrophobicContact CB-CE 4.39Å; D46-M62 HydrophobicContact CB-SD 4.03Å
47I91.4Very high91.9Very high0 Ų078 Ų780%039%0.391CS..Hα-helixtrans-53.2-50.4171.5-72.9165.7000110.5I43 K49 M50 A51 V59 M62 L66 L168 L171 L173I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.25Å; I43-I47 WeakPolarHBondContact O-CB 3.43Å; I43-I47 VanDerWaalsContact O-CG1 3.25Å; I43-I47 WeakPolarHBondContact O-CG1 3.45Å; I43-I47 PolarHBondContact O-N 2.8Å; I47-K49 PolarHBondContact O-N 3.48Å; I47-M50 PolarHBondContact O-N 2.97Å; I47-A51 VanDerWaalsContact O-CB 3.3Å; I47-A51 WeakPolarHBondContact O-CB 3.41Å; I47-A51 PolarHBondContact O-N 2.93Å; I47-V59 HydrophobicContact CG2-CG1 4.29Å; I47-M62 HydrophobicContact CD1-CB 4.1Å; I47-M62 HydrophobicContact CG1-CB 3.5Å; I47-M62 VanDerWaalsContact CG1-CB 3.5Å; I47-M62 HydrophobicContact CG1-SD 4.42Å; I47-L66 HydrophobicContact CD1-CB 4.13Å; I47-L66 HydrophobicContact CD1-CD2 3.99Å; I47-L168 HydrophobicContact CG2-CD2 4.45Å; I47-L171 HydrophobicContact CB-CD1 4.26Å; I47-L171 HydrophobicContact CD1-CD1 4.49Å; I47-L171 HydrophobicContact CG2-CD1 3.66Å; I47-L173 HydrophobicContact CG2-CD1 3.98Å
48K90.9Very high91.6Very high81 Ų8176.6 Ų76.635%0.35239%0.389SS..Hα-helixtrans-60.9-32.6178.6-72.5-173.2177.2-1540112.9I44 A45 D46 K52 L171 L173I44-K48 HydrophobicContact CG2-CD 4.45Å; I44-K48 WeakPolarHBondContact O-CG 3.48Å; I44-K48 PolarHBondContact O-N 3.07Å; A45-K48 PolarHBondContact O-N 3.22Å; D46-K48 VanDerWaalsContact C-N 3.33Å; D46-K48 PolarHBondContact O-N 2.69Å; K48-K52 WeakPolarHBondContact O-CG 3.43Å; K48-L171 VanDerWaalsContact CE-O 3.25Å; K48-L171 WeakPolarHBondContact CE-O 3.27Å; K48-L171 PolarHBondContact NZ-O 2.91Å; K48-L173 HydrophobicContact CG-CD1 4.07Å; K48-L173 HydrophobicContact CG-CD2 4.18Å; K48-L173 HydrophobicContact CG-CG 4.38Å
49K93.1Very high91.3Very high119 Ų11970.9 Ų70.952%0.51736%0.362SS..Hα-helixtrans-74.4-45.1176.4-177.9-173.9172.6-167.30111.9A45 D46 I47 K52 Q53A45-K49 PolarHBondContact O-N 3.24Å; D46-K49 WeakPolarHBondContact O-CB 3.4Å; D46-K49 PolarHBondContact O-N 2.98Å; I47-K49 PolarHBondContact O-N 3.48Å; K49-K52 PolarHBondContact O-N 3.16Å; K49-Q53 WeakPolarHBondContact O-CG 3.27Å; K49-Q53 PolarHBondContact O-N 2.9Å
50M90.7Very high90.9Very high33 Ų3370.6 Ų70.616%0.16336%0.36CS..Hα-helixtrans-70.3-35.1-178.4-60.6-61.9-82.600111.8D46 I47 Q53 G54 Q55 A58 V59 M62D46-M50 VanDerWaalsContact O-CG 3.26Å; D46-M50 WeakPolarHBondContact O-CG 3.34Å; D46-M50 PolarHBondContact O-N 3.14Å; I47-M50 PolarHBondContact O-N 2.97Å; M50-Q53 CarbonylContact O-C 3.57Å; M50-Q53 PolarHBondContact O-N 3.45Å; M50-Q53 VanDerWaalsContact O-N 3.08Å; M50-G54 PolarHBondContact O-N 2.86Å; M50-Q55 HydrophobicContact CE-CB 4.29Å; M50-Q55 PolarHBondContact O-N 3.21Å; M50-Q55 VanDerWaalsContact O-N 3.1Å; M50-A58 HydrophobicContact CE-CB 3.55Å; M50-V59 HydrophobicContact CB-CG2 3.78Å; M50-M62 HydrophobicContact CG-CE 4.03Å; M50-M62 HydrophobicContact CG-SD 3.94Å
51A88.7Confident90.8Very high15 Ų1574.9 Ų74.912%0.12438%0.383CS..Hα-helixtrans-60.4-47.4173.500000111.9I47 Q53 G54 V59 L173I47-A51 VanDerWaalsContact O-CB 3.3Å; I47-A51 WeakPolarHBondContact O-CB 3.41Å; I47-A51 PolarHBondContact O-N 2.93Å; A51-Q53 PolarHBondContact O-N 3.42Å; A51-Q53 VanDerWaalsContact O-N 3.14Å; A51-G54 PolarHBondContact O-N 3.36Å; A51-V59 HydrophobicContact CB-CG2 3.98Å; A51-L173 HydrophobicContact CB-CD1 3.93Å; A51-L173 HydrophobicContact CB-CD2 4.22Å
52K88.1Confident90.5Very high151 Ų15170.7 Ų70.766%0.65737%0.366SS*.THydrogen-bonded Turntrans-64.6-11.7173.3-70.4-178.7178.3-1620114.7K48 K49K48-K52 WeakPolarHBondContact O-CG 3.43Å; K49-K52 PolarHBondContact O-N 3.16Å
53Q90.8Very high90.1Very high104 Ų10464.1 Ų64.149%0.48634%0.337SS..THydrogen-bonded Turntrans-98.64.3173.7-67.9178.5-2.500112K49 M50 A51 Q55K49-Q53 WeakPolarHBondContact O-CG 3.27Å; K49-Q53 PolarHBondContact O-N 2.9Å; M50-Q53 CarbonylContact O-C 3.57Å; M50-Q53 PolarHBondContact O-N 3.45Å; M50-Q53 VanDerWaalsContact O-N 3.08Å; A51-Q53 PolarHBondContact O-N 3.42Å; A51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-Q55 HydrophobicContact CB-CG 4.12Å; Q53-Q55 PolarHBondContact O-N 3.13Å
54G86.6Confident89.9Confident56 Ų5667.2 Ų67.258%0.57735%0.35SS*.THydrogen-bonded Turntrans699-176.700000114.7M50 A51 M56M50-G54 PolarHBondContact O-N 2.86Å; A51-G54 PolarHBondContact O-N 3.36Å; G54-M56 VanDerWaalsContact C-N 3.27Å; G54-M56 PolarHBondContact O-N 3.45Å
55Q90.6Very high89.7Confident96 Ų9668 Ų6845%0.44936%0.355SS..  trans-84.466.2-172.4-62.8-169.214.800111.7M50 Q53 D57 A58 V59M50-Q55 HydrophobicContact CE-CB 4.29Å; M50-Q55 PolarHBondContact O-N 3.21Å; M50-Q55 VanDerWaalsContact O-N 3.1Å; Q53-Q55 HydrophobicContact CB-CG 4.12Å; Q53-Q55 PolarHBondContact O-N 3.13Å; Q55-D57 VanDerWaalsContact C-N 3.32Å; Q55-D57 PolarHBondContact O-N 2.88Å; Q55-A58 HydrophobicContact CB-CB 4.29Å; Q55-A58 WeakPolarHBondContact O-CB 3.37Å; Q55-A58 PolarHBondContact O-N 3.42Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; Q55-V59 WeakPolarHBondContact O-CG2 3.34Å; Q55-V59 PolarHBondContact O-N 3.05Å; Q55-V59 VanDerWaalsContact O-N 3.09Å
56M85.5Confident89.5Confident82 Ų8265.4 Ų65.440%0.40433%0.333SS..Hα-helixtrans-67.7-27.4-166.7-144.656.659.900114.3G54 V59 K60G54-M56 VanDerWaalsContact C-N 3.27Å; G54-M56 PolarHBondContact O-N 3.45Å; M56-V59 WeakPolarHBondContact O-CB 3.47Å; M56-V59 PolarHBondContact O-N 2.69Å; M56-V59 HydrophobicContact SD-CB 4.02Å; M56-V59 HydrophobicContact SD-CG1 3.94Å; M56-V59 HydrophobicContact SD-CG2 4.26Å; M56-K60 PolarHBondContact O-N 3.5Å
57D88.6Confident89.4Confident138 Ų13864 Ų6474%0.73833%0.327SS*.Hα-helixtrans-64.6-43172.6-64.5-37.3000111.9Q55 V59 K60 I61Q55-D57 VanDerWaalsContact C-N 3.32Å; Q55-D57 PolarHBondContact O-N 2.88Å; D57-V59 VanDerWaalsContact C-N 3.33Å; D57-K60 PolarHBondContact O-N 2.91Å; D57-I61 WeakPolarHBondContact O-CG1 3.49Å; D57-I61 PolarHBondContact O-N 3.08Å; D57-I61 VanDerWaalsContact O-N 3.11Å
58A89.1Confident89.3Confident26 Ų2671.2 Ų71.222%0.21535%0.354CS..Hα-helixtrans-66.6-38.5176.100000111.2M50 Q55 I61 M62M50-A58 HydrophobicContact CE-CB 3.55Å; Q55-A58 HydrophobicContact CB-CB 4.29Å; Q55-A58 WeakPolarHBondContact O-CB 3.37Å; Q55-A58 PolarHBondContact O-N 3.42Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; A58-I61 PolarHBondContact O-N 3.11Å; A58-M62 WeakPolarHBondContact O-CB 3.13Å; A58-M62 WeakPolarHBondContact O-CG 3.31Å; A58-M62 PolarHBondContact O-N 2.99Å
59V89.8Confident89.3Confident1 Ų167.5 Ų67.51%0.00634%0.339CS..Hα-helixtrans-60-46.7173169.10000111.4I47 M50 A51 Q55 M56 D57 I61 M62 A63 L168I47-V59 HydrophobicContact CG2-CG1 4.29Å; M50-V59 HydrophobicContact CB-CG2 3.78Å; A51-V59 HydrophobicContact CB-CG2 3.98Å; Q55-V59 WeakPolarHBondContact O-CG2 3.34Å; Q55-V59 PolarHBondContact O-N 3.05Å; Q55-V59 VanDerWaalsContact O-N 3.09Å; M56-V59 WeakPolarHBondContact O-CB 3.47Å; M56-V59 PolarHBondContact O-N 2.69Å; M56-V59 HydrophobicContact SD-CB 4.02Å; M56-V59 HydrophobicContact SD-CG1 3.94Å; M56-V59 HydrophobicContact SD-CG2 4.26Å; D57-V59 VanDerWaalsContact C-N 3.33Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 2.91Å; V59-M62 PolarHBondContact O-N 3.06Å; V59-A63 VanDerWaalsContact O-CB 3.28Å; V59-A63 WeakPolarHBondContact O-CB 3.45Å; V59-A63 PolarHBondContact O-N 3.36Å; V59-L168 HydrophobicContact CG1-CD1 4.49Å; V59-L168 HydrophobicContact CG1-CD2 3.68Å
60K87.7Confident89.2Confident81 Ų8165.5 Ų65.535%0.35233%0.328SS..Hα-helixtrans-60.1-41.1176.9-179.4173.3-76.8-155.80111.9M56 D57 K64 D161 V164M56-K60 PolarHBondContact O-N 3.5Å; D57-K60 PolarHBondContact O-N 2.91Å; K60-K64 WeakPolarHBondContact O-CG 3.44Å; K60-K64 PolarHBondContact O-N 2.85Å; K60-D161 WeakPolarHBondContact CE-OD1 3.49Å; K60-D161 IonicContact NZ-OD1 2.74Å; K60-D161 PolarHBondContact NZ-OD1 3.49Å; K60-D161 IonicContact NZ-OD2 3.71Å; K60-D161 PolarHBondContact NZ-OD2 3.38Å; K60-V164 HydrophobicContact CG-CG1 4.48Å; K60-V164 HydrophobicContact CG-CG2 4.33Å
61I89.9Confident89.1Confident126 Ų12670.5 Ų70.565%0.64635%0.345SS*.Hα-helixtrans-65.5-48176.3-66.1166.9000111.2D57 A58 V59 A63 K64 D65D57-I61 WeakPolarHBondContact O-CG1 3.49Å; D57-I61 PolarHBondContact O-N 3.08Å; D57-I61 VanDerWaalsContact O-N 3.11Å; A58-I61 PolarHBondContact O-N 3.11Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 2.91Å; I61-A63 PolarHBondContact O-N 2.96Å; I61-K64 PolarHBondContact O-N 3.29Å; I61-D65 PolarHBondContact O-N 3.13Å
62M88.8Confident89.1Confident57 Ų5775.6 Ų75.628%0.28136%0.362SS..Hα-helixtrans-66.4-35.3-179.8-70.9-179.5178.100112.6I43 D46 I47 M50 A58 V59 D65 L66I43-M62 HydrophobicContact CG2-CB 4.49Å; D46-M62 HydrophobicContact CB-CE 4.39Å; D46-M62 HydrophobicContact CB-SD 4.03Å; I47-M62 HydrophobicContact CD1-CB 4.1Å; I47-M62 HydrophobicContact CG1-CB 3.5Å; I47-M62 VanDerWaalsContact CG1-CB 3.5Å; I47-M62 HydrophobicContact CG1-SD 4.42Å; M50-M62 HydrophobicContact CG-CE 4.03Å; M50-M62 HydrophobicContact CG-SD 3.94Å; A58-M62 WeakPolarHBondContact O-CB 3.13Å; A58-M62 WeakPolarHBondContact O-CG 3.31Å; A58-M62 PolarHBondContact O-N 2.99Å; V59-M62 PolarHBondContact O-N 3.06Å; M62-D65 PolarHBondContact O-N 3.46Å; M62-L66 PolarHBondContact O-N 3.26Å
63A88.2Confident89.3Confident0 Ų069.1 Ų69.10%034%0.335CS..Hα-helixtrans-62.6-41.1174.400000111.7V59 I61 D65 L66 V67 V164 V167V59-A63 VanDerWaalsContact O-CB 3.28Å; V59-A63 WeakPolarHBondContact O-CB 3.45Å; V59-A63 PolarHBondContact O-N 3.36Å; I61-A63 PolarHBondContact O-N 2.96Å; A63-D65 VanDerWaalsContact C-N 3.31Å; A63-D65 PolarHBondContact O-N 3.16Å; A63-L66 WeakPolarHBondContact O-CB 3.46Å; A63-L66 PolarHBondContact O-N 3.24Å; A63-V67 VanDerWaalsContact O-CG2 3.24Å; A63-V67 WeakPolarHBondContact O-CG2 3.31Å; A63-V67 PolarHBondContact O-N 3.47Å; A63-V164 HydrophobicContact CB-CB 4.41Å; A63-V164 HydrophobicContact CB-CG1 4.08Å; A63-V164 HydrophobicContact CB-CG2 3.92Å; A63-V167 HydrophobicContact CB-CG1 4.16Å
64K88.9Confident89.3Confident81 Ų8170.8 Ų70.835%0.35234%0.34SS..Hα-helixtrans-62.8-35.6173.1-69.4-174.8-176-161.80112.4K60 I61 R68 S160 D161 V164K60-K64 WeakPolarHBondContact O-CG 3.44Å; K60-K64 PolarHBondContact O-N 2.85Å; I61-K64 PolarHBondContact O-N 3.29Å; K64-R68 WeakPolarHBondContact O-CB 3.3Å; K64-R68 PolarHBondContact O-N 3.12Å; K64-R68 VanDerWaalsContact O-N 3.14Å; K64-S160 VanDerWaalsContact CE-O 3.29Å; K64-S160 WeakPolarHBondContact CE-O 3.39Å; K64-S160 PolarHBondContact NZ-OG 3.17Å; K64-D161 IonicContact NZ-OD1 2.76Å; K64-V164 HydrophobicContact CG-CG2 4.25Å
65D89Confident89.5Confident53 Ų5374 Ų7428%0.28334%0.339SS..Hα-helixtrans-72.5-33.3174.4-161.452.2000113.2I43 I61 M62 A63 R68 T69I43-D65 WeakPolarHBondContact CD1-OD2 3.36Å; I61-D65 PolarHBondContact O-N 3.13Å; M62-D65 PolarHBondContact O-N 3.46Å; A63-D65 VanDerWaalsContact C-N 3.31Å; A63-D65 PolarHBondContact O-N 3.16Å; D65-R68 PolarHBondContact O-N 3.09Å; D65-R68 IonicContact OD1-NH1 3.98Å; D65-T69 WeakPolarHBondContact O-CB 3.49Å; D65-T69 PolarHBondContact O-N 3.49Å; D65-T69 PolarHBondContact O-OG1 3Å
66L90.7Very high89.5Confident0 Ų071 Ų710%032%0.324CS..Hα-helixtrans-61-48.7173-176.466.5000111.4E40 I43 I44 I47 M62 A63 T69 R70 V167E40-L66 HydrophobicContact CB-CD1 4.42Å; E40-L66 HydrophobicContact CG-CD1 3.44Å; E40-L66 VanDerWaalsContact CG-CD1 3.44Å; I43-L66 HydrophobicContact CB-CD1 4.24Å; I43-L66 HydrophobicContact CG2-CB 3.82Å; I43-L66 HydrophobicContact CG2-CD1 4.04Å; I43-L66 HydrophobicContact CG2-CG 4.5Å; I44-L66 HydrophobicContact CD1-CD1 4.13Å; I44-L66 HydrophobicContact CG1-CD1 3.65Å; I44-L66 HydrophobicContact CG1-CD2 3.94Å; I44-L66 HydrophobicContact CG1-CG 4.48Å; I47-L66 HydrophobicContact CD1-CB 4.13Å; I47-L66 HydrophobicContact CD1-CD2 3.99Å; M62-L66 PolarHBondContact O-N 3.26Å; A63-L66 WeakPolarHBondContact O-CB 3.46Å; A63-L66 PolarHBondContact O-N 3.24Å; L66-T69 WeakPolarHBondContact O-CB 3.41Å; L66-T69 PolarHBondContact O-N 2.95Å; L66-R70 PolarHBondContact O-N 3.08Å; L66-V167 HydrophobicContact CD2-CG1 3.69Å; L66-V167 HydrophobicContact CD2-CG2 4.41Å
67V90.1Very high89.7Confident45 Ų4571.4 Ų71.427%0.27333%0.327SS..Hα-helixtrans-61.5-46.5179.3174.70000110.6A63 T69 R70 R71 I163 V167A63-V67 VanDerWaalsContact O-CG2 3.24Å; A63-V67 WeakPolarHBondContact O-CG2 3.31Å; A63-V67 PolarHBondContact O-N 3.47Å; V67-T69 VanDerWaalsContact C-N 3.32Å; V67-T69 PolarHBondContact O-N 3.12Å; V67-R70 PolarHBondContact O-N 3.44Å; V67-R71 PolarHBondContact O-N 2.83Å; V67-I163 HydrophobicContact CB-CG2 4.26Å; V67-I163 HydrophobicContact CG1-CG2 4Å; V67-I163 HydrophobicContact CG2-CG2 3.26Å; V67-V167 HydrophobicContact CG2-CG2 4.02Å
68R89.1Confident89.9Confident150 Ų15068.5 Ų68.557%0.56631%0.31SS*.Hα-helixtrans-57.1-45.2173.5178.5-178.6-71.1149.8-4.3111.6K64 D65 R71 Y72K64-R68 WeakPolarHBondContact O-CB 3.3Å; K64-R68 PolarHBondContact O-N 3.12Å; K64-R68 VanDerWaalsContact O-N 3.14Å; D65-R68 PolarHBondContact O-N 3.09Å; D65-R68 IonicContact OD1-NH1 3.98Å; R68-R71 PolarHBondContact O-N 2.91Å; R68-Y72 HydrophobicContact CG-CD2 3.84Å; R68-Y72 HydrophobicContact CG-CE2 3.51Å; R68-Y72 WeakPolarHBondContact O-CD2 3.43Å; R68-Y72 PolarHBondContact O-N 3Å
69T91.9Very high90Very high4 Ų471.1 Ų71.13%0.02532%0.319CS..Hα-helixtrans-61.1-45.8177.3-60.90000111.3L36 E40 D65 L66 V67 Y72 V73L36-T69 HydrophobicContact CB-CG2 4.32Å; L36-T69 HydrophobicContact CD2-CG2 4.4Å; E40-T69 HydrophobicContact CB-CG2 4.03Å; D65-T69 WeakPolarHBondContact O-CB 3.49Å; D65-T69 PolarHBondContact O-N 3.49Å; D65-T69 PolarHBondContact O-OG1 3Å; L66-T69 WeakPolarHBondContact O-CB 3.41Å; L66-T69 PolarHBondContact O-N 2.95Å; V67-T69 VanDerWaalsContact C-N 3.32Å; V67-T69 PolarHBondContact O-N 3.12Å; T69-Y72 PolarHBondContact O-N 3.43Å; T69-V73 WeakPolarHBondContact O-CG2 3.45Å; T69-V73 PolarHBondContact O-N 2.91Å
70R90.8Very high90Very high76 Ų7673.3 Ų73.329%0.28733%0.328SS..Hα-helixtrans-60.8-44.2174.4-74.9174.3168.9-174.8-3.7112.6E40 L66 V67 Y72 V73 K74 E170E40-R70 HydrophobicContact CG-CG 4.33Å; E40-R70 VanDerWaalsContact OE1-CG 3.25Å; E40-R70 WeakPolarHBondContact OE1-CG 3.36Å; E40-R70 IonicContact OE1-CZ 3.97Å; E40-R70 IonicContact OE1-NE 2.86Å; E40-R70 PolarHBondContact OE1-NE 3.41Å; L66-R70 PolarHBondContact O-N 3.08Å; V67-R70 PolarHBondContact O-N 3.44Å; R70-Y72 VanDerWaalsContact C-N 3.32Å; R70-Y72 PolarHBondContact O-N 3.25Å; R70-V73 PolarHBondContact O-N 3.25Å; R70-V73 VanDerWaalsContact O-N 3.17Å; R70-K74 PolarHBondContact O-N 3.24Å; R70-E170 IonicContact CZ-OE2 3.99Å; R70-E170 VanDerWaalsContact CZ-OE2 3.27Å; R70-E170 IonicContact NH1-OE1 3.5Å; R70-E170 IonicContact NH1-OE2 3.53Å; R70-E170 PolarHBondContact NH1-OE2 3.46Å; R70-E170 IonicContact NH2-OE2 2.69Å; R70-E170 PolarHBondContact NH2-OE2 2.94Å
71R88.4Confident90.2Very high138 Ų13871.7 Ų71.752%0.52133%0.33SS..Hα-helixtrans-60.7-40.5175.2-168.5173.8-175.5178.53.1111.1V67 R68 K74 K75 D153V67-R71 PolarHBondContact O-N 2.83Å; R68-R71 PolarHBondContact O-N 2.91Å; R71-K74 PolarHBondContact O-N 3.39Å; R71-K75 WeakPolarHBondContact O-CB 3.38Å; R71-K75 PolarHBondContact O-N 3.28Å; R71-D153 IonicContact CZ-OD2 2.62Å; R71-D153 IonicContact NH2-OD2 3.45Å; R71-D153 PolarHBondContact NH2-OD2 3.34Å
72Y89.1Confident90.1Very high122 Ų12269.5 Ų69.548%0.47832%0.32SS..Hα-helixtrans-64-44.9172.3-76.6-59.7000112.4R68 T69 R70 K74 K75 F76R68-Y72 HydrophobicContact CG-CD2 3.84Å; R68-Y72 HydrophobicContact CG-CE2 3.51Å; R68-Y72 WeakPolarHBondContact O-CD2 3.43Å; R68-Y72 PolarHBondContact O-N 3Å; T69-Y72 PolarHBondContact O-N 3.43Å; R70-Y72 VanDerWaalsContact C-N 3.32Å; R70-Y72 PolarHBondContact O-N 3.25Å; Y72-K74 VanDerWaalsContact C-N 3.34Å; Y72-K74 PolarHBondContact O-N 3.46Å; Y72-K75 CarbonylContact O-C 3.59Å; Y72-K75 WeakPolarHBondContact O-CA 3.39Å; Y72-K75 WeakPolarHBondContact O-CB 3.25Å; Y72-K75 PolarHBondContact O-N 2.98Å; Y72-K75 VanDerWaalsContact O-N 3.08Å; Y72-F76 VanDerWaalsContact O-CD2 3.27Å; Y72-F76 WeakPolarHBondContact O-CD2 3.49Å; Y72-F76 PolarHBondContact O-N 2.88Å
73V92Very high90.2Very high16 Ų1668.5 Ų68.510%0.09732%0.315CS..Hα-helixtrans-56.2-46.4175.4170.80000111.4R33 L36 E37 T69 R70 K75 F76 I77R33-V73 HydrophobicContact CG-CG1 3.94Å; L36-V73 HydrophobicContact CB-CG2 3.67Å; E37-V73 HydrophobicContact CG-CG1 4.4Å; E37-V73 HydrophobicContact CG-CG2 4.43Å; T69-V73 WeakPolarHBondContact O-CG2 3.45Å; T69-V73 PolarHBondContact O-N 2.91Å; R70-V73 PolarHBondContact O-N 3.25Å; R70-V73 VanDerWaalsContact O-N 3.17Å; V73-K75 PolarHBondContact O-N 2.96Å; V73-F76 PolarHBondContact O-N 3.22Å; V73-I77 HydrophobicContact CG1-CD1 4.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 3.23Å; V73-I77 VanDerWaalsContact O-N 3.09Å
74K90.9Very high90.4Very high138 Ų13872.7 Ų72.760%0.633%0.334SS*.Hα-helixtrans-57.4-46.3173.1-173.1-174.9177.7-168.70111.4R70 R71 Y72 F76 I77 M78R70-K74 PolarHBondContact O-N 3.24Å; R71-K74 PolarHBondContact O-N 3.39Å; Y72-K74 VanDerWaalsContact C-N 3.34Å; Y72-K74 PolarHBondContact O-N 3.46Å; K74-F76 PolarHBondContact O-N 3.28Å; K74-I77 WeakPolarHBondContact O-CB 3.45Å; K74-I77 PolarHBondContact O-N 2.95Å; K74-M78 PolarHBondContact O-N 3.26Å
75K89.8Confident90.5Very high124 Ų12471.6 Ų71.654%0.53934%0.341SS..Hα-helixtrans-62.4-40.1178.1-168.2165.5-174.3161.70112.7R71 Y72 V73 I77 M78 M79R71-K75 WeakPolarHBondContact O-CB 3.38Å; R71-K75 PolarHBondContact O-N 3.28Å; Y72-K75 CarbonylContact O-C 3.59Å; Y72-K75 WeakPolarHBondContact O-CA 3.39Å; Y72-K75 WeakPolarHBondContact O-CB 3.25Å; Y72-K75 PolarHBondContact O-N 2.98Å; Y72-K75 VanDerWaalsContact O-N 3.08Å; V73-K75 PolarHBondContact O-N 2.96Å; K75-I77 PolarHBondContact O-N 3.22Å; K75-M78 PolarHBondContact O-N 3.18Å; K75-M79 HydrophobicContact CG-SD 4.19Å; K75-M79 WeakPolarHBondContact O-CB 3.35Å; K75-M79 VanDerWaalsContact O-CG 3.26Å; K75-M79 WeakPolarHBondContact O-CG 3.42Å; K75-M79 PolarHBondContact O-N 3.45Å
76F90.5Very high90.5Very high32 Ų3272.6 Ų72.614%0.1435%0.349CS..Hα-helixtrans-64.2-37.1174.2-89-81.2000112.7L29 E32 R33 L36 Y72 V73 K74 K80L29-F76 HydrophobicContact CB-CD1 4.1Å; L29-F76 HydrophobicContact CD2-CD1 3.64Å; L29-F76 HydrophobicContact CD2-CE1 3.55Å; L29-F76 HydrophobicContact CG-CD1 4.41Å; E32-F76 HydrophobicContact CB-CD1 4.3Å; E32-F76 HydrophobicContact CB-CE1 3.62Å; E32-F76 HydrophobicContact CB-CZ 3.85Å; E32-F76 VanDerWaalsContact OE2-CE1 3.26Å; E32-F76 WeakPolarHBondContact OE2-CE1 3.4Å; E32-F76 WeakPolarHBondContact OE2-CZ 3.47Å; R33-F76 HydrophobicContact CB-CB 4.1Å; R33-F76 HydrophobicContact CG-CB 4.14Å; L36-F76 HydrophobicContact CD1-CD2 3.58Å; L36-F76 HydrophobicContact CD1-CE2 3.5Å; Y72-F76 VanDerWaalsContact O-CD2 3.27Å; Y72-F76 WeakPolarHBondContact O-CD2 3.49Å; Y72-F76 PolarHBondContact O-N 2.88Å; V73-F76 PolarHBondContact O-N 3.22Å; K74-F76 PolarHBondContact O-N 3.28Å; F76-K80 WeakPolarHBondContact O-CB 3.46Å; F76-K80 PolarHBondContact O-N 2.91Å
77I90.6Very high90.4Very high92 Ų9273.2 Ų73.247%0.47235%0.353SS..Hα-helixtrans-64.8-48.2174.4-65.8165.6000110.4V73 K74 K75 K80 A81V73-I77 HydrophobicContact CG1-CD1 4.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 3.23Å; V73-I77 VanDerWaalsContact O-N 3.09Å; K74-I77 WeakPolarHBondContact O-CB 3.45Å; K74-I77 PolarHBondContact O-N 2.95Å; K75-I77 PolarHBondContact O-N 3.22Å; I77-K80 WeakPolarHBondContact O-CB 3.23Å; I77-K80 PolarHBondContact O-N 3.09Å; I77-A81 PolarHBondContact O-N 3.47Å
78M91.9Very high90.4Very high76 Ų7676.1 Ų76.137%0.37437%0.366SS..Hα-helixtrans-61.9-46.6177.6-176.1-174.5-84.300112K74 K75 K80 A81 N82 M151K74-M78 PolarHBondContact O-N 3.26Å; K75-M78 PolarHBondContact O-N 3.18Å; M78-K80 VanDerWaalsContact C-N 3.29Å; M78-K80 PolarHBondContact O-N 3.03Å; M78-A81 WeakPolarHBondContact O-CB 3.36Å; M78-A81 PolarHBondContact O-N 2.94Å; M78-A81 VanDerWaalsContact O-N 3.13Å; M78-N82 PolarHBondContact O-N 3.03Å; M78-N82 PolarHBondContact O-OD1 2.91Å; M78-M151 HydrophobicContact CE-CE 4.31Å; M78-M151 HydrophobicContact SD-CE 3.56Å; M78-M151 VanDerWaalsContact SD-CE 3.56Å
79M90.9Very high90.3Very high82 Ų8273.2 Ų73.240%0.40436%0.358SS..Hα-helixtrans-58.6-39.5175-74.3174.464.200112.3L29 K75 N82 I83L29-M79 HydrophobicContact CD1-CB 3.97Å; L29-M79 HydrophobicContact CD2-CE 4.05Å; K75-M79 HydrophobicContact CG-SD 4.19Å; K75-M79 WeakPolarHBondContact O-CB 3.35Å; K75-M79 VanDerWaalsContact O-CG 3.26Å; K75-M79 WeakPolarHBondContact O-CG 3.42Å; K75-M79 PolarHBondContact O-N 3.45Å; M79-N82 PolarHBondContact O-N 3.4Å; M79-I83 WeakPolarHBondContact O-CG1 3.34Å; M79-I83 PolarHBondContact O-N 3.48Å
80K91.5Very high90.1Very high47 Ų4774.1 Ų74.120%0.20436%0.362CS..Hα-helixtrans-64-45174.6178.6179.3173.4176.60111.5L29 D30 F76 I77 M78 N82 I83 Q84L29-K80 HydrophobicContact CD1-CB 4.37Å; D30-K80 WeakPolarHBondContact OD1-CD 3.25Å; D30-K80 IonicContact OD1-NZ 2.91Å; D30-K80 PolarHBondContact OD1-NZ 3.2Å; D30-K80 WeakPolarHBondContact OD2-CE 3.36Å; D30-K80 IonicContact OD2-NZ 3.53Å; D30-K80 PolarHBondContact OD2-NZ 3.3Å; F76-K80 WeakPolarHBondContact O-CB 3.46Å; F76-K80 PolarHBondContact O-N 2.91Å; I77-K80 WeakPolarHBondContact O-CB 3.23Å; I77-K80 PolarHBondContact O-N 3.09Å; M78-K80 VanDerWaalsContact C-N 3.29Å; M78-K80 PolarHBondContact O-N 3.03Å; K80-N82 VanDerWaalsContact C-N 3.32Å; K80-N82 PolarHBondContact O-N 3.09Å; K80-I83 PolarHBondContact O-N 2.95Å; K80-Q84 WeakPolarHBondContact O-CG 3.47Å; K80-Q84 PolarHBondContact O-N 2.76Å
81A91.8Very high89.9Confident46 Ų4675.8 Ų75.838%0.3837%0.373SS..Hα-helixtrans-59-43.3176.300000111.6I77 M78 I83 Q84 A85I77-A81 PolarHBondContact O-N 3.47Å; M78-A81 WeakPolarHBondContact O-CB 3.36Å; M78-A81 PolarHBondContact O-N 2.94Å; M78-A81 VanDerWaalsContact O-N 3.13Å; A81-I83 PolarHBondContact O-N 2.96Å; A81-Q84 WeakPolarHBondContact O-CB 3.45Å; A81-Q84 PolarHBondContact O-N 2.74Å; A81-Q84 VanDerWaalsContact O-N 3.14Å; A81-A85 PolarHBondContact O-N 2.69Å
82N87.8Confident89.9Confident81 Ų8173 Ų7343%0.43337%0.371SS..Hα-helixtrans-64.1-42.4177.8-65.31.5000111.6M78 M79 K80 Q84 A85 V86M78-N82 PolarHBondContact O-N 3.03Å; M78-N82 PolarHBondContact O-OD1 2.91Å; M79-N82 PolarHBondContact O-N 3.4Å; K80-N82 VanDerWaalsContact C-N 3.32Å; K80-N82 PolarHBondContact O-N 3.09Å; N82-Q84 VanDerWaalsContact C-N 3.32Å; N82-Q84 PolarHBondContact O-N 3.17Å; N82-A85 PolarHBondContact O-N 3.24Å; N82-V86 WeakPolarHBondContact O-CG2 3.4Å; N82-V86 PolarHBondContact O-N 2.71Å
83I90.9Very high89.7Confident36 Ų3671.4 Ų71.419%0.18537%0.371CS..Hα-helixtrans-64.9-35.9173.5-67179.9000111.7L22 A25 M26 L29 M79 K80 A81 S87L22-I83 HydrophobicContact CB-CG2 3.97Å; L22-I83 HydrophobicContact CD2-CG2 4.11Å; A25-I83 HydrophobicContact CB-CD1 4.03Å; M26-I83 HydrophobicContact CG-CB 4.11Å; M26-I83 HydrophobicContact CG-CG2 3.42Å; M26-I83 VanDerWaalsContact CG-CG2 3.42Å; M26-I83 HydrophobicContact SD-CG2 4.12Å; L29-I83 HydrophobicContact CD1-CD1 3.67Å; M79-I83 WeakPolarHBondContact O-CG1 3.34Å; M79-I83 PolarHBondContact O-N 3.48Å; K80-I83 PolarHBondContact O-N 2.95Å; A81-I83 PolarHBondContact O-N 2.96Å; I83-S87 WeakPolarHBondContact O-CB 3.34Å; I83-S87 PolarHBondContact O-N 2.95Å
84Q90.8Very high89.4Confident87 Ų8775.9 Ų75.941%0.40739%0.389SS..Hα-helixtrans-63.6-43.4174-74.7175.8-51.200111.5M26 K80 A81 N82 S87 L88M26-Q84 HydrophobicContact SD-CB 4.38Å; M26-Q84 HydrophobicContact SD-CG 3.32Å; M26-Q84 WeakPolarHBondContact SD-CG 3.25Å; K80-Q84 WeakPolarHBondContact O-CG 3.47Å; K80-Q84 PolarHBondContact O-N 2.76Å; A81-Q84 WeakPolarHBondContact O-CB 3.45Å; A81-Q84 PolarHBondContact O-N 2.74Å; A81-Q84 VanDerWaalsContact O-N 3.14Å; N82-Q84 VanDerWaalsContact C-N 3.32Å; N82-Q84 PolarHBondContact O-N 3.17Å; Q84-S87 WeakPolarHBondContact O-CB 3.26Å; Q84-S87 PolarHBondContact O-N 2.81Å; Q84-L88 WeakPolarHBondContact O-CG 3.45Å; Q84-L88 PolarHBondContact O-N 3.09Å
85A91Very high89.1Confident59 Ų5972.6 Ų72.649%0.48838%0.384SS..Hα-helixtrans-61.2-47.5175.300000112.1A81 N82 S87 L88 K89A81-A85 PolarHBondContact O-N 2.69Å; N82-A85 PolarHBondContact O-N 3.24Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 2.86Å; A85-L88 PolarHBondContact O-N 3.2Å; A85-L88 VanDerWaalsContact O-N 3.17Å; A85-K89 PolarHBondContact O-N 2.88Å
86V89.6Confident88.9Confident74 Ų7470 Ų7045%0.44838%0.375SS..Hα-helixtrans-61.6-39.6175.2176.10000111.5L22 N82 L88 K89 I90L22-V86 HydrophobicContact CD1-CG1 3.94Å; N82-V86 WeakPolarHBondContact O-CG2 3.4Å; N82-V86 PolarHBondContact O-N 2.71Å; V86-L88 PolarHBondContact O-N 2.83Å; V86-K89 PolarHBondContact O-N 3.37Å; V86-I90 HydrophobicContact CG1-CD1 4.36Å; V86-I90 WeakPolarHBondContact O-CG1 3.06Å; V86-I90 PolarHBondContact O-N 2.89Å
87S89.6Confident88.7Confident13 Ų1370.2 Ų70.29%0.09138%0.378CS..Hα-helixtrans-60.7-41.9174.3158.80000112.3Q19 I83 Q84 A85 I90 Q91Q19-S87 PolarHBondContact NE2-OG 3.07Å; Q19-S87 PolarHBondContact OE1-O 2.82Å; I83-S87 WeakPolarHBondContact O-CB 3.34Å; I83-S87 PolarHBondContact O-N 2.95Å; Q84-S87 WeakPolarHBondContact O-CB 3.26Å; Q84-S87 PolarHBondContact O-N 2.81Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 2.86Å; S87-I90 PolarHBondContact O-N 3.49Å; S87-Q91 PolarHBondContact O-N 3.49Å
88L89.9Confident88.4Confident106 Ų10669.3 Ų69.356%0.55538%0.38SS*.Hα-helixtrans-66-42.3174.5-70.3169.5000111.4Q84 A85 V86 I90 Q91 T92Q84-L88 WeakPolarHBondContact O-CG 3.45Å; Q84-L88 PolarHBondContact O-N 3.09Å; A85-L88 PolarHBondContact O-N 3.2Å; A85-L88 VanDerWaalsContact O-N 3.17Å; V86-L88 PolarHBondContact O-N 2.83Å; L88-I90 PolarHBondContact O-N 3.18Å; L88-Q91 WeakPolarHBondContact O-CA 3.32Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 3.17Å; L88-Q91 VanDerWaalsContact O-N 3.08Å; L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.24Å
89K86.7Confident88Confident89 Ų8971.3 Ų71.339%0.38739%0.39SS..Hα-helixtrans-59.4-43175.1-166.3170.6-176.2174.50111.9A85 V86 Q91 T92 L93 E140A85-K89 PolarHBondContact O-N 2.88Å; V86-K89 PolarHBondContact O-N 3.37Å; K89-Q91 VanDerWaalsContact C-N 3.33Å; K89-Q91 PolarHBondContact O-N 3.01Å; K89-T92 WeakPolarHBondContact O-CB 3.39Å; K89-T92 PolarHBondContact O-N 3.43Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.49Å; K89-E140 VanDerWaalsContact CE-OE1 3.29Å; K89-E140 WeakPolarHBondContact CE-OE1 3.36Å; K89-E140 VanDerWaalsContact CE-OE2 3.3Å; K89-E140 WeakPolarHBondContact CE-OE2 3.22Å; K89-E140 IonicContact NZ-OE1 3.88Å; K89-E140 PolarHBondContact NZ-OE1 2.87Å; K89-E140 IonicContact NZ-OE2 2.91Å; K89-E140 PolarHBondContact NZ-OE2 3.03Å
90I87.4Confident87.7Confident23 Ų2370 Ų7012%0.11839%0.392CS..Hα-helixtrans-63.6-36.9173.6-70.9-179.3000112L15 N18 Q19 L22 V86 S87 L88 L93 K94L15-I90 HydrophobicContact CD2-CG2 3.99Å; N18-I90 HydrophobicContact CB-CD1 4.2Å; Q19-I90 VanDerWaalsContact OE1-CG2 3.24Å; L22-I90 HydrophobicContact CD1-CD1 3.68Å; V86-I90 HydrophobicContact CG1-CD1 4.36Å; V86-I90 WeakPolarHBondContact O-CG1 3.06Å; V86-I90 PolarHBondContact O-N 2.89Å; S87-I90 PolarHBondContact O-N 3.49Å; L88-I90 PolarHBondContact O-N 3.18Å; I90-L93 PolarHBondContact O-N 3.45Å; I90-K94 WeakPolarHBondContact O-CB 3.46Å; I90-K94 PolarHBondContact O-N 2.87Å
91Q87.6Confident87.4Confident110 Ų11072.4 Ų72.451%0.51440%0.404SS..Hα-helixtrans-64.2-41.6173.9179.8171.4-2600111.8S87 L88 K89 K94 S95S87-Q91 PolarHBondContact O-N 3.49Å; L88-Q91 WeakPolarHBondContact O-CA 3.32Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 3.17Å; L88-Q91 VanDerWaalsContact O-N 3.08Å; K89-Q91 VanDerWaalsContact C-N 3.33Å; K89-Q91 PolarHBondContact O-N 3.01Å; Q91-K94 PolarHBondContact O-N 3.29Å; Q91-S95 PolarHBondContact O-N 2.85Å; Q91-S95 VanDerWaalsContact O-N 3.1Å; Q91-S95 PolarHBondContact O-OG 2.94Å
92T88Confident87Confident79 Ų7973.1 Ų73.149%0.48541%0.41SS..Hα-helixtrans-61.8-48.6172.5-58.60000111.5L88 K89 K94 S95 N96L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.24Å; K89-T92 WeakPolarHBondContact O-CB 3.39Å; K89-T92 PolarHBondContact O-N 3.43Å; T92-K94 VanDerWaalsContact C-N 3.27Å; T92-K94 PolarHBondContact O-N 3.43Å; T92-S95 WeakPolarHBondContact O-CB 3.49Å; T92-S95 PolarHBondContact O-N 3.5Å; T92-N96 PolarHBondContact O-N 3.42Å; T92-N96 PolarHBondContact O-OD1 3Å
93L85.3Confident86.8Confident89 Ų8973.6 Ų73.647%0.46641%0.411SS..Hα-helixtrans-57.8-37.5176.9-71.1172.3000112.8K89 I90 N96 N97K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.49Å; I90-L93 PolarHBondContact O-N 3.45Å; L93-N96 PolarHBondContact O-N 3.02Å; L93-N97 WeakPolarHBondContact O-CB 3.25Å; L93-N97 PolarHBondContact O-N 3.48Å
94K85.2Confident86.4Confident111 Ų11178.8 Ų78.848%0.48343%0.432SS..Hα-helixtrans-64.6-43.6174-178.1-166.2167.8-155.70111.8L15 I90 Q91 T92 N97 S98L15-K94 HydrophobicContact CD1-CB 4.42Å; I90-K94 WeakPolarHBondContact O-CB 3.46Å; I90-K94 PolarHBondContact O-N 2.87Å; Q91-K94 PolarHBondContact O-N 3.29Å; T92-K94 VanDerWaalsContact C-N 3.27Å; T92-K94 PolarHBondContact O-N 3.43Å; K94-N97 PolarHBondContact O-N 3.37Å; K94-S98 PolarHBondContact O-N 2.89Å
95S85Confident86.1Confident69 Ų6976.7 Ų76.748%0.48343%0.434SS..Hα-helixtrans-63.6-44.3175.6-62.40000111.5Q91 T92 N97 S98 M99Q91-S95 PolarHBondContact O-N 2.85Å; Q91-S95 VanDerWaalsContact O-N 3.1Å; Q91-S95 PolarHBondContact O-OG 2.94Å; T92-S95 WeakPolarHBondContact O-CB 3.49Å; T92-S95 PolarHBondContact O-N 3.5Å; S95-N97 PolarHBondContact O-N 3.45Å; S95-S98 PolarHBondContact O-N 3.14Å; S95-M99 PolarHBondContact O-N 3.45Å
96N85.8Confident85.6Confident69 Ų6978 Ų7837%0.36944%0.435SS..Hα-helixtrans-62.6-41.9177.4-68.35.5000111.5T92 L93 M99 A100T92-N96 PolarHBondContact O-N 3.42Å; T92-N96 PolarHBondContact O-OD1 3Å; L93-N96 PolarHBondContact O-N 3.02Å; N96-M99 PolarHBondContact O-N 3.13Å; N96-A100 WeakPolarHBondContact O-CB 3.41Å; N96-A100 PolarHBondContact O-N 3.32Å
97N84.7Confident85.2Confident36 Ų3678.4 Ų78.419%0.19344%0.438CS..Hα-helixtrans-63.6-43.9174.1-172.42.6000111.7L93 K94 S95 M99 A100 Q101L93-N97 WeakPolarHBondContact O-CB 3.25Å; L93-N97 PolarHBondContact O-N 3.48Å; K94-N97 PolarHBondContact O-N 3.37Å; S95-N97 PolarHBondContact O-N 3.45Å; N97-M99 VanDerWaalsContact C-N 3.3Å; N97-M99 PolarHBondContact O-N 2.84Å; N97-A100 PolarHBondContact O-N 3.01Å; N97-A100 VanDerWaalsContact O-N 3.16Å; N97-Q101 WeakPolarHBondContact O-CG 3.45Å; N97-Q101 PolarHBondContact O-N 2.89Å; N97-Q101 PolarHBondContact OD1-NE2 2.94Å
98S84.8Confident84.8Confident74 Ų7485.4 Ų85.452%0.51747%0.467SS..Hα-helixtrans-60.8-39175-169.20000112.3K94 S95 Q101 A102K94-S98 PolarHBondContact O-N 2.89Å; S95-S98 PolarHBondContact O-N 3.14Å; S98-Q101 PolarHBondContact O-N 2.94Å; S98-A102 PolarHBondContact O-N 3.38Å; S98-A102 VanDerWaalsContact O-N 3.08Å
99M84.5Confident84.3Confident118 Ų11883.3 Ų83.358%0.58147%0.465SS*.Hα-helixtrans-65.3-44.2173.9-173-179.6-71.500110.9S95 N96 N97 Q101 A102 M103S95-M99 PolarHBondContact O-N 3.45Å; N96-M99 PolarHBondContact O-N 3.13Å; N97-M99 VanDerWaalsContact C-N 3.3Å; N97-M99 PolarHBondContact O-N 2.84Å; M99-Q101 PolarHBondContact O-N 3.01Å; M99-A102 PolarHBondContact O-N 2.86Å; M99-M103 HydrophobicContact CG-CG 4.33Å; M99-M103 HydrophobicContact CG-SD 4.16Å; M99-M103 WeakPolarHBondContact O-CB 3.46Å; M99-M103 WeakPolarHBondContact O-CG 3.44Å; M99-M103 PolarHBondContact O-N 2.98Å
100A83.8Confident83.7Confident54 Ų5484.2 Ų84.245%0.44647%0.472SS..Hα-helixtrans-62-37.5176.300000112.8N96 N97 K104N96-A100 WeakPolarHBondContact O-CB 3.41Å; N96-A100 PolarHBondContact O-N 3.32Å; N97-A100 PolarHBondContact O-N 3.01Å; N97-A100 VanDerWaalsContact O-N 3.16Å; A100-K104 VanDerWaalsContact O-CB 3.23Å; A100-K104 WeakPolarHBondContact O-CB 3.38Å; A100-K104 PolarHBondContact O-N 3.25Å
101Q85.1Confident83.1Confident97 Ų9785.6 Ų85.645%0.45349%0.487SS..Hα-helixtrans-66.7-42.5172.8-62.4-50.6-35.900112N97 S98 M99 K104 G105N97-Q101 WeakPolarHBondContact O-CG 3.45Å; N97-Q101 PolarHBondContact O-N 2.89Å; N97-Q101 PolarHBondContact OD1-NE2 2.94Å; S98-Q101 PolarHBondContact O-N 2.94Å; M99-Q101 PolarHBondContact O-N 3.01Å; Q101-K104 WeakPolarHBondContact O-CB 3.48Å; Q101-K104 PolarHBondContact O-N 2.95Å; Q101-G105 PolarHBondContact O-N 3.47Å; Q101-G105 VanDerWaalsContact O-N 3.08Å
102A83.4Confident82.6Confident62 Ų6284.3 Ų84.351%0.51249%0.487SS..Hα-helixtrans-62.9-47.7175.800000111.2S98 M99 K104 G105 V106S98-A102 PolarHBondContact O-N 3.38Å; S98-A102 VanDerWaalsContact O-N 3.08Å; M99-A102 PolarHBondContact O-N 2.86Å; A102-K104 VanDerWaalsContact C-N 3.33Å; A102-K104 PolarHBondContact O-N 3.43Å; A102-G105 WeakPolarHBondContact O-CA 3.37Å; A102-G105 PolarHBondContact O-N 2.93Å; A102-G105 VanDerWaalsContact O-N 3.09Å; A102-V106 WeakPolarHBondContact O-CG2 3.39Å; A102-V106 PolarHBondContact O-N 3.5Å
103M82.8Confident81.6Confident91 Ų9185.9 Ų85.945%0.44849%0.49SS..Hα-helixtrans-61.1-38.5174.6-70.3-173.783.800111.6M99 G105 V106 T107M99-M103 HydrophobicContact CG-CG 4.33Å; M99-M103 HydrophobicContact CG-SD 4.16Å; M99-M103 WeakPolarHBondContact O-CB 3.46Å; M99-M103 WeakPolarHBondContact O-CG 3.44Å; M99-M103 PolarHBondContact O-N 2.98Å; M103-G105 VanDerWaalsContact C-N 3.29Å; M103-G105 PolarHBondContact O-N 3.29Å; M103-V106 CarbonylContact O-C 3.57Å; M103-V106 PolarHBondContact O-N 3.01Å; M103-T107 VanDerWaalsContact O-CB 3.3Å; M103-T107 WeakPolarHBondContact O-CB 3.39Å; M103-T107 PolarHBondContact O-N 3.29Å; M103-T107 PolarHBondContact O-OG1 3.45Å
104K82.6Confident80.4Confident144 Ų14483.6 Ų83.663%0.62648%0.478SS*.Hα-helixtrans-60.5-37.7173.4-176.7178-178.6178.10112.3A100 Q101 A102 K108A100-K104 VanDerWaalsContact O-CB 3.23Å; A100-K104 WeakPolarHBondContact O-CB 3.38Å; A100-K104 PolarHBondContact O-N 3.25Å; Q101-K104 WeakPolarHBondContact O-CB 3.48Å; Q101-K104 PolarHBondContact O-N 2.95Å; A102-K104 VanDerWaalsContact C-N 3.33Å; A102-K104 PolarHBondContact O-N 3.43Å; K104-K108 WeakPolarHBondContact O-CB 3.37Å; K104-K108 PolarHBondContact O-N 3.32Å
105G84.6Confident79.5Confident43 Ų4389.5 Ų89.544%0.44350%0.497SS..Hα-helixtrans-63.9-49.8171.100000112.3Q101 A102 M103 K108 A109Q101-G105 PolarHBondContact O-N 3.47Å; Q101-G105 VanDerWaalsContact O-N 3.08Å; A102-G105 WeakPolarHBondContact O-CA 3.37Å; A102-G105 PolarHBondContact O-N 2.93Å; A102-G105 VanDerWaalsContact O-N 3.09Å; M103-G105 VanDerWaalsContact C-N 3.29Å; M103-G105 PolarHBondContact O-N 3.29Å; G105-K108 PolarHBondContact O-N 2.97Å; G105-A109 PolarHBondContact O-N 3.08Å
106V81.6Confident78.3Confident86 Ų8693.9 Ų93.952%0.52151%0.51SS..Hα-helixtrans-61.5-45.1177.4174.70000111.5A102 M103 K108 A109 M110A102-V106 WeakPolarHBondContact O-CG2 3.39Å; A102-V106 PolarHBondContact O-N 3.5Å; M103-V106 CarbonylContact O-C 3.57Å; M103-V106 PolarHBondContact O-N 3.01Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 3.44Å; V106-A109 CarbonylContact O-C 3.39Å; V106-A109 PolarHBondContact O-N 3.17Å; V106-M110 HydrophobicContact CG1-CG 4.19Å; V106-M110 VanDerWaalsContact O-CB 3.27Å; V106-M110 WeakPolarHBondContact O-CB 3.44Å; V106-M110 WeakPolarHBondContact O-CG 3.39Å; V106-M110 PolarHBondContact O-N 2.92Å
107T79.9Confident76.8Confident83 Ų8395.9 Ų95.951%0.50952%0.52SS..Hα-helixtrans-62.9-34.1175.5-60.50000111.7M103 A111M103-T107 VanDerWaalsContact O-CB 3.3Å; M103-T107 WeakPolarHBondContact O-CB 3.39Å; M103-T107 PolarHBondContact O-N 3.29Å; M103-T107 PolarHBondContact O-OG1 3.45Å; T107-A111 WeakPolarHBondContact O-CB 3.37Å; T107-A111 PolarHBondContact O-N 2.94Å
108K82.1Confident75Confident161 Ų161103.7 Ų103.770%0.755%0.552SS**Hα-helixtrans-70.3-39.2174-167176.8-177.5-176.60111.8K104 G105 V106 T112K104-K108 WeakPolarHBondContact O-CB 3.37Å; K104-K108 PolarHBondContact O-N 3.32Å; G105-K108 PolarHBondContact O-N 2.97Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 3.44Å; K108-T112 PolarHBondContact O-N 3.04Å; K108-T112 VanDerWaalsContact O-N 3.08Å; K108-T112 PolarHBondContact O-OG1 3.45Å
109A79Confident74.1Confident62 Ų62105.3 Ų105.351%0.51256%0.555SS.*Hα-helixtrans-66.6-48.7173.100000111.4G105 V106 A111 T112 M113G105-A109 PolarHBondContact O-N 3.08Å; V106-A109 CarbonylContact O-C 3.39Å; V106-A109 PolarHBondContact O-N 3.17Å; A109-A111 PolarHBondContact O-N 2.89Å; A109-T112 CarbonylContact O-C 3.59Å; A109-T112 WeakPolarHBondContact O-CA 3.3Å; A109-T112 WeakPolarHBondContact O-CB 3.3Å; A109-T112 PolarHBondContact O-N 3.42Å; A109-T112 VanDerWaalsContact O-N 3.1Å; A109-M113 WeakPolarHBondContact O-CB 3.33Å; A109-M113 PolarHBondContact O-N 3.38Å
110M73.7Confident72.9Confident107 Ų107104.2 Ų104.253%0.52756%0.557SS.*Hα-helixtrans-56.9-41.9172.7-82.6-96.6-175.700112.2V106 T112 M113 N114V106-M110 HydrophobicContact CG1-CG 4.19Å; V106-M110 VanDerWaalsContact O-CB 3.27Å; V106-M110 WeakPolarHBondContact O-CB 3.44Å; V106-M110 WeakPolarHBondContact O-CG 3.39Å; V106-M110 PolarHBondContact O-N 2.92Å; M110-T112 VanDerWaalsContact C-N 3.33Å; M110-T112 PolarHBondContact O-N 3.5Å; M110-M113 CarbonylContact O-C 3.58Å; M110-M113 PolarHBondContact O-N 3.39Å; M110-N114 WeakPolarHBondContact O-CA 3.43Å; M110-N114 WeakPolarHBondContact O-CB 3.44Å; M110-N114 PolarHBondContact O-N 3.28Å
111A76.1Confident71.8Confident52 Ų52109.8 Ų109.843%0.4357%0.573SS.*Hα-helixtrans-66.6-36.1176.100000111.7T107 A109 R115T107-A111 WeakPolarHBondContact O-CB 3.37Å; T107-A111 PolarHBondContact O-N 2.94Å; A109-A111 PolarHBondContact O-N 2.89Å; A111-R115 WeakPolarHBondContact O-CB 3.5Å; A111-R115 PolarHBondContact O-N 3.33Å
112T77.3Confident70.6Confident84 Ų84108.2 Ų108.252%0.51557%0.567SS.*Hα-helixtrans-66.9-41173.8-51.30000110.9K108 A109 M110 R115K108-T112 PolarHBondContact O-N 3.04Å; K108-T112 VanDerWaalsContact O-N 3.08Å; K108-T112 PolarHBondContact O-OG1 3.45Å; A109-T112 CarbonylContact O-C 3.59Å; A109-T112 WeakPolarHBondContact O-CA 3.3Å; A109-T112 WeakPolarHBondContact O-CB 3.3Å; A109-T112 PolarHBondContact O-N 3.42Å; A109-T112 VanDerWaalsContact O-N 3.1Å; M110-T112 VanDerWaalsContact C-N 3.33Å; M110-T112 PolarHBondContact O-N 3.5Å; T112-R115 WeakPolarHBondContact O-CB 3.24Å; T112-R115 PolarHBondContact O-N 2.62Å
113M65.6Low69.6Low111 Ų111112.1 Ų112.155%0.54758%0.575SS.*Hα-helixtrans-73-35.6177.4-164174-173.400112.7A109 M110 R115 Q116 L117A109-M113 WeakPolarHBondContact O-CB 3.33Å; A109-M113 PolarHBondContact O-N 3.38Å; M110-M113 CarbonylContact O-C 3.58Å; M110-M113 PolarHBondContact O-N 3.39Å; M113-R115 VanDerWaalsContact C-N 3.33Å; M113-Q116 CarbonylContact O-C 3.47Å; M113-Q116 WeakPolarHBondContact O-CA 3.29Å; M113-Q116 WeakPolarHBondContact O-CB 3.43Å; M113-Q116 PolarHBondContact O-N 3.18Å; M113-L117 HydrophobicContact CE-CD1 4.39Å; M113-L117 HydrophobicContact CG-CD1 4.42Å; M113-L117 PolarHBondContact O-N 3.35Å
114N60.7Low69Low42 Ų42114.9 Ų114.923%0.22558%0.584CS.*Hα-helixtrans-74.8-22.7175.3177.776.9000112.3M110 Q116 L117 L119 I122M110-N114 WeakPolarHBondContact O-CA 3.43Å; M110-N114 WeakPolarHBondContact O-CB 3.44Å; M110-N114 PolarHBondContact O-N 3.28Å; N114-Q116 PolarHBondContact O-N 3.2Å; N114-L117 CarbonylContact C-O 3.4Å; N114-L117 VanDerWaalsContact CA-O 3.25Å; N114-L117 WeakPolarHBondContact CA-O 3.44Å; N114-L117 CarbonylContact O-C 3.57Å; N114-L117 PolarHBondContact O-N 3.21Å; N114-L117 PolarHBondContact OD1-O 2.98Å; N114-L117 VanDerWaalsContact OD1-O 3.1Å; N114-L119 WeakPolarHBondContact OD1-CA 3.5Å; N114-L119 PolarHBondContact OD1-N 2.97Å; N114-I122 HydrophobicContact CB-CD1 3.82Å; N114-I122 VanDerWaalsContact CG-CD1 3.44Å
115R66.1Low68.3Low234 Ų234113.4 Ų113.488%0.88358%0.582SS**THydrogen-bonded Turntrans-68.2-15.6164.6-157.6172.3-170.1165.93.2112A111 T112 M113A111-R115 WeakPolarHBondContact O-CB 3.5Å; A111-R115 PolarHBondContact O-N 3.33Å; T112-R115 WeakPolarHBondContact O-CB 3.24Å; T112-R115 PolarHBondContact O-N 2.62Å; M113-R115 VanDerWaalsContact C-N 3.33Å
116Q59.7Low67.4Low162 Ų162117.1 Ų117.176%0.75759%0.589SS**THydrogen-bonded Turntrans-104.8-19.7173.2-60.4173.6-1600112.9M113 N114M113-Q116 CarbonylContact O-C 3.47Å; M113-Q116 WeakPolarHBondContact O-CA 3.29Å; M113-Q116 WeakPolarHBondContact O-CB 3.43Å; M113-Q116 PolarHBondContact O-N 3.18Å; N114-Q116 PolarHBondContact O-N 3.2Å
117L53.9Low67.1Low110 Ų110118.8 Ų118.858%0.57659%0.593SS**SBendtrans-133.7122-178.3-72.5169.6000111.9M113 N114 L119M113-L117 HydrophobicContact CE-CD1 4.39Å; M113-L117 HydrophobicContact CG-CD1 4.42Å; M113-L117 PolarHBondContact O-N 3.35Å; N114-L117 CarbonylContact C-O 3.4Å; N114-L117 VanDerWaalsContact CA-O 3.25Å; N114-L117 WeakPolarHBondContact CA-O 3.44Å; N114-L117 CarbonylContact O-C 3.57Å; N114-L117 PolarHBondContact O-N 3.21Å; N114-L117 PolarHBondContact OD1-O 2.98Å; N114-L117 VanDerWaalsContact OD1-O 3.1Å; L117-L119 PolarHBondContact O-N 3.49Å
118K48.7Very low66.8Low200 Ų200119.2 Ų119.287%0.8759%0.589SS**  trans-66.1100.7-167.1-63.7-178.1179.8-179.50114.9P120K118-P120 WeakPolarHBondContact O-CD 3.38Å
119L64.8Low66.4Low109 Ų109117.7 Ų117.757%0.57158%0.583SS**  71.1-85.5128.4-88.369.7000123.6N114 L117 Q121 I122N114-L119 WeakPolarHBondContact OD1-CA 3.5Å; N114-L119 PolarHBondContact OD1-N 2.97Å; L117-L119 PolarHBondContact O-N 3.49Å; L119-Q121 PolarHBondContact O-N 2.93Å; L119-I122 PolarHBondContact O-N 2.92Å
120P60.5Low66.1Low95 Ų95120.7 Ų120.762%0.61759%0.587SS**THydrogen-bonded Turntrans-57.8-23.3-140.1-32.937.9000118.2K118 I122K118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-I122 VanDerWaalsContact C-N 3.26Å; P120-I122 PolarHBondContact O-N 3.24Å
121Q59.2Low66.3Low170 Ų170121 Ų12179%0.79459%0.585SS**Hα-helixtrans-67.6-21.9-175.6-65.7174.3-8.800113.8L119 K124L119-Q121 PolarHBondContact O-N 2.93Å; Q121-K124 PolarHBondContact O-N 3.23Å
122I61.3Low65.9Low65 Ų65123.7 Ų123.733%0.33359%0.588SS.*Hα-helixtrans-68.8-35.4-177.1-66.6-178.7000112.9N114 L119 P120 K124 I125 M126N114-I122 HydrophobicContact CB-CD1 3.82Å; N114-I122 VanDerWaalsContact CG-CD1 3.44Å; L119-I122 PolarHBondContact O-N 2.92Å; P120-I122 VanDerWaalsContact C-N 3.26Å; P120-I122 PolarHBondContact O-N 3.24Å; I122-K124 PolarHBondContact O-N 3.16Å; I122-I125 PolarHBondContact O-N 3.45Å; I122-M126 PolarHBondContact O-N 3.01Å
123Q61.8Low65.7Low143 Ų143122 Ų12267%0.66858%0.58SS**Hα-helixtrans-62.3-32.9178.5-74.1176.9-28.600112.2M127Q123-M127 WeakPolarHBondContact O-CE 3.49Å; Q123-M127 PolarHBondContact O-N 3.47Å
124K70.8Confident66.2Low149 Ų149123.7 Ų123.765%0.64859%0.587SS**Hα-helixtrans-69.9-35.1179.2-159172.4-174.3179.40112.3Q121 I122 E128Q121-K124 PolarHBondContact O-N 3.23Å; I122-K124 PolarHBondContact O-N 3.16Å; K124-E128 WeakPolarHBondContact O-CB 3.23Å; K124-E128 PolarHBondContact O-N 3.1Å
125I66.4Low66.8Low114 Ų114124.5 Ų124.559%0.58559%0.591SS**Hα-helixtrans-71.3-36.7178.7-61.8172.3000111.3I122 F129I122-I125 PolarHBondContact O-N 3.45Å; I125-F129 WeakPolarHBondContact O-CB 3.5Å; I125-F129 PolarHBondContact O-N 3.26Å
126M66.8Low67.2Low120 Ų120118.6 Ų118.659%0.59157%0.574SS**Hα-helixtrans-62.1-50.7173.2-75.1-82.9-167.500111.4I122 E128 F129 E130I122-M126 PolarHBondContact O-N 3.01Å; M126-E128 PolarHBondContact O-N 3.38Å; M126-F129 PolarHBondContact O-N 2.89Å; M126-F129 VanDerWaalsContact O-N 3.15Å; M126-E130 PolarHBondContact O-N 3.48Å
127M74.4Confident67.9Low121 Ų121115.7 Ų115.760%0.59656%0.564SS**Hα-helixtrans-60.1-41.2177.1-91.7180-81.300113.1Q123 F129 K131Q123-M127 WeakPolarHBondContact O-CE 3.49Å; Q123-M127 PolarHBondContact O-N 3.47Å; M127-F129 VanDerWaalsContact C-N 3.31Å; M127-F129 PolarHBondContact O-N 3.03Å; M127-K131 WeakPolarHBondContact O-CB 3.4Å; M127-K131 PolarHBondContact O-N 3.26Å; M127-K131 VanDerWaalsContact O-N 3.11Å
128E73.4Confident68.8Low93 Ų93115.5 Ų115.544%0.43556%0.561SS.*Hα-helixtrans-68.3-32.4177.9-149.977.6-121.500111.5K124 M126 K131 Q132K124-E128 WeakPolarHBondContact O-CB 3.23Å; K124-E128 PolarHBondContact O-N 3.1Å; M126-E128 PolarHBondContact O-N 3.38Å; E128-K131 IonicContact OE1-NZ 3.98Å; E128-Q132 VanDerWaalsContact O-CG 3.24Å; E128-Q132 WeakPolarHBondContact O-CG 3.33Å; E128-Q132 PolarHBondContact O-N 2.94Å; E128-Q132 VanDerWaalsContact O-N 3.08Å
129F74.1Confident69.7Low128 Ų128112.3 Ų112.356%0.56155%0.547SS*.Hα-helixtrans-70-46.9175.2-179.5-94.1000112.5I125 M126 M127 K131 Q132 S133I125-F129 WeakPolarHBondContact O-CB 3.5Å; I125-F129 PolarHBondContact O-N 3.26Å; M126-F129 PolarHBondContact O-N 2.89Å; M126-F129 VanDerWaalsContact O-N 3.15Å; M127-F129 VanDerWaalsContact C-N 3.31Å; M127-F129 PolarHBondContact O-N 3.03Å; F129-K131 VanDerWaalsContact C-N 3.32Å; F129-K131 PolarHBondContact O-N 3.32Å; F129-Q132 PolarHBondContact O-N 3.46Å; F129-S133 PolarHBondContact O-N 3.34Å
130E72.3Confident69.9Low126 Ų126111.2 Ų111.259%0.58954%0.539SS*.Hα-helixtrans-55.7-49.1175.4-74.1174.5153.100110.5M126 Q132 S133 E134M126-E130 PolarHBondContact O-N 3.48Å; E130-Q132 VanDerWaalsContact C-N 3.34Å; E130-Q132 PolarHBondContact O-N 3.39Å; E130-S133 PolarHBondContact O-N 3.35Å; E130-S133 VanDerWaalsContact O-N 3.12Å; E130-E134 PolarHBondContact O-N 2.86Å
131K78.4Confident70.4Confident113 Ų113112.9 Ų112.949%0.49154%0.539SS..Hα-helixtrans-59.6-37.7176.9-174.6-179.4177.2-170.70113.9M127 E128 F129 I135M127-K131 WeakPolarHBondContact O-CB 3.4Å; M127-K131 PolarHBondContact O-N 3.26Å; M127-K131 VanDerWaalsContact O-N 3.11Å; E128-K131 IonicContact OE1-NZ 3.98Å; F129-K131 VanDerWaalsContact C-N 3.32Å; F129-K131 PolarHBondContact O-N 3.32Å; K131-I135 HydrophobicContact CG-CD1 4.3Å; K131-I135 WeakPolarHBondContact O-CD1 3.46Å; K131-I135 VanDerWaalsContact O-CG1 3.25Å; K131-I135 WeakPolarHBondContact O-CG1 3.36Å; K131-I135 PolarHBondContact O-N 3.41Å
132Q68.5Low70.8Confident108 Ų108110 Ų11051%0.50553%0.527SS..Hα-helixtrans-75.2-29176.8-70.7-63.2-43.800112.8E128 F129 E130 M136E128-Q132 VanDerWaalsContact O-CG 3.24Å; E128-Q132 WeakPolarHBondContact O-CG 3.33Å; E128-Q132 PolarHBondContact O-N 2.94Å; E128-Q132 VanDerWaalsContact O-N 3.08Å; F129-Q132 PolarHBondContact O-N 3.46Å; E130-Q132 VanDerWaalsContact C-N 3.34Å; E130-Q132 PolarHBondContact O-N 3.39Å; Q132-M136 PolarHBondContact O-N 3.27Å
133S72Confident71.1Confident49 Ų49112.9 Ų112.934%0.34354%0.54SS..Hα-helixtrans-69.9-44.6173.9-1560000111F129 E130 I135 M136 D137F129-S133 PolarHBondContact O-N 3.34Å; E130-S133 PolarHBondContact O-N 3.35Å; E130-S133 VanDerWaalsContact O-N 3.12Å; S133-I135 VanDerWaalsContact C-N 3.33Å; S133-I135 PolarHBondContact O-N 3.07Å; S133-M136 WeakPolarHBondContact O-CA 3.42Å; S133-M136 VanDerWaalsContact O-CB 3.28Å; S133-M136 WeakPolarHBondContact O-CB 3.49Å; S133-M136 PolarHBondContact O-N 2.99Å; S133-D137 PolarHBondContact O-N 3Å
134E75.9Confident71.3Confident147 Ų147110 Ų11069%0.68753%0.529SS*.Hα-helixtrans-61.9-38.2178.7-158.8171.6-136.500112.1E130 M136 D137 M138E130-E134 PolarHBondContact O-N 2.86Å; E134-M136 VanDerWaalsContact C-N 3.27Å; E134-M136 PolarHBondContact O-N 3.39Å; E134-D137 PolarHBondContact O-N 3.05Å; E134-M138 PolarHBondContact O-N 3.08Å; E134-M138 VanDerWaalsContact O-N 3.16Å
135I73.6Confident71Confident59 Ų59107.9 Ų107.930%0.30353%0.525SS..Hα-helixtrans-65.9-27171.7-69.9166.7000112.5K131 S133 K139K131-I135 HydrophobicContact CG-CD1 4.3Å; K131-I135 WeakPolarHBondContact O-CD1 3.46Å; K131-I135 VanDerWaalsContact O-CG1 3.25Å; K131-I135 WeakPolarHBondContact O-CG1 3.36Å; K131-I135 PolarHBondContact O-N 3.41Å; S133-I135 VanDerWaalsContact C-N 3.33Å; S133-I135 PolarHBondContact O-N 3.07Å; I135-K139 WeakPolarHBondContact O-CG 3.42Å; I135-K139 PolarHBondContact O-N 3.07Å
136M73.7Confident70.7Confident109 Ų109105.6 Ų105.654%0.53752%0.524SS..Hα-helixtrans-76.5-45.5177.7-167176.9-57.800111Q132 S133 E134 K139 E140Q132-M136 PolarHBondContact O-N 3.27Å; S133-M136 WeakPolarHBondContact O-CA 3.42Å; S133-M136 VanDerWaalsContact O-CB 3.28Å; S133-M136 WeakPolarHBondContact O-CB 3.49Å; S133-M136 PolarHBondContact O-N 2.99Å; E134-M136 VanDerWaalsContact C-N 3.27Å; E134-M136 PolarHBondContact O-N 3.39Å; M136-K139 PolarHBondContact O-N 3.12Å; M136-E140 PolarHBondContact O-N 3.36Å; M136-E140 VanDerWaalsContact O-N 3.11Å
137D74.8Confident70Confident102 Ų102103.6 Ų103.655%0.54552%0.515SS..Hα-helixtrans-62.5-45.3179.3-64.5-26.8000111S133 E134 K139 E140 E141S133-D137 PolarHBondContact O-N 3Å; E134-D137 PolarHBondContact O-N 3.05Å; D137-K139 VanDerWaalsContact C-N 3.25Å; D137-K139 PolarHBondContact O-N 3.35Å; D137-E140 WeakPolarHBondContact O-CB 3.43Å; D137-E140 PolarHBondContact O-N 3.47Å; D137-E141 PolarHBondContact O-N 3Å
138M72.7Confident69.2Low105 Ų105103.8 Ų103.852%0.51752%0.518SS..Hα-helixtrans-62.1-28.9176.5-168.4-17570.700113.4E134 M142E134-M138 PolarHBondContact O-N 3.08Å; E134-M138 VanDerWaalsContact O-N 3.16Å; M138-M142 HydrophobicContact CE-CE 4.25Å; M138-M142 HydrophobicContact CG-CE 4.38Å; M138-M142 WeakPolarHBondContact O-CE 3.28Å; M138-M142 PolarHBondContact O-N 2.83Å
139K69.3Low68.4Low133 Ų133106.8 Ų106.858%0.57854%0.537SS*.Hα-helixtrans-77.2-27.5173.4-79.2177.7178-178.90113I135 M136 D137 M142 M143I135-K139 WeakPolarHBondContact O-CG 3.42Å; I135-K139 PolarHBondContact O-N 3.07Å; M136-K139 PolarHBondContact O-N 3.12Å; D137-K139 VanDerWaalsContact C-N 3.25Å; D137-K139 PolarHBondContact O-N 3.35Å; K139-M142 HydrophobicContact CG-CE 4.38Å; K139-M143 WeakPolarHBondContact O-CB 3.3Å; K139-M143 PolarHBondContact O-N 3.3Å
140E69Low67.4Low86 Ų86104.6 Ų104.640%0.40254%0.543SS..Hα-helixtrans-73.7-38.5175.9-163.8170.7121.500110.6K89 M136 D137 M143 N144K89-E140 VanDerWaalsContact CE-OE1 3.29Å; K89-E140 WeakPolarHBondContact CE-OE1 3.36Å; K89-E140 VanDerWaalsContact CE-OE2 3.3Å; K89-E140 WeakPolarHBondContact CE-OE2 3.22Å; K89-E140 IonicContact NZ-OE1 3.88Å; K89-E140 PolarHBondContact NZ-OE1 2.87Å; K89-E140 IonicContact NZ-OE2 2.91Å; K89-E140 PolarHBondContact NZ-OE2 3.03Å; M136-E140 PolarHBondContact O-N 3.36Å; M136-E140 VanDerWaalsContact O-N 3.11Å; D137-E140 WeakPolarHBondContact O-CB 3.43Å; D137-E140 PolarHBondContact O-N 3.47Å; E140-M143 PolarHBondContact O-N 3.21Å; E140-N144 VanDerWaalsContact O-CG 3.29Å; E140-N144 PolarHBondContact O-N 3.49Å; E140-N144 VanDerWaalsContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 3.09Å
141E69.6Low66.3Low130 Ų130102.8 Ų102.861%0.60754%0.535SS*.Hα-helixtrans-61.9-55.7174.5-162165-143.100111.7D137 M143 N144 D145D137-E141 PolarHBondContact O-N 3Å; E141-M143 PolarHBondContact O-N 3.03Å; E141-N144 PolarHBondContact O-N 3.39Å; E141-D145 PolarHBondContact O-N 2.95Å; E141-D145 VanDerWaalsContact O-N 3.12Å
142M67.7Low64.7Low111 Ų111100.5 Ų100.555%0.54754%0.543SS..Hα-helixtrans-58.1-24.9175.9-73.4-172.1-70.600114.3M138 K139 A146M138-M142 HydrophobicContact CE-CE 4.25Å; M138-M142 HydrophobicContact CG-CE 4.38Å; M138-M142 WeakPolarHBondContact O-CE 3.28Å; M138-M142 PolarHBondContact O-N 2.83Å; K139-M142 HydrophobicContact CG-CE 4.38Å; M142-A146 PolarHBondContact O-N 3.08Å
143M68.8Low63.7Low124 Ų124101 Ų10161%0.61155%0.55SS*.Hα-helixtrans-85.2-26.1177.5-172.1164.8-179.700112.8K139 E140 E141 I147K139-M143 WeakPolarHBondContact O-CB 3.3Å; K139-M143 PolarHBondContact O-N 3.3Å; E140-M143 PolarHBondContact O-N 3.21Å; E141-M143 PolarHBondContact O-N 3.03Å; M143-I147 HydrophobicContact CE-CD1 4.4Å; M143-I147 HydrophobicContact CG-CD1 4.25Å; M143-I147 VanDerWaalsContact O-CD1 3.3Å; M143-I147 WeakPolarHBondContact O-CD1 3.47Å; M143-I147 VanDerWaalsContact O-CG1 3.24Å; M143-I147 WeakPolarHBondContact O-CG1 3.25Å; M143-I147 PolarHBondContact O-N 3.48Å
144N66.1Low62.4Low82 Ų82107 Ų10744%0.43957%0.572SS.*Hα-helixtrans-73.7-43.7172.3-65.5-40.5000110.6E140 E141 A146 I147 D148E140-N144 VanDerWaalsContact O-CG 3.29Å; E140-N144 PolarHBondContact O-N 3.49Å; E140-N144 VanDerWaalsContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 3.09Å; E141-N144 PolarHBondContact O-N 3.39Å; N144-A146 VanDerWaalsContact C-N 3.31Å; N144-A146 PolarHBondContact O-N 3.42Å; N144-I147 WeakPolarHBondContact O-CA 3.34Å; N144-I147 PolarHBondContact O-N 3.36Å; N144-D148 PolarHBondContact O-N 2.78Å
145D62.9Low61Low106 Ų106106.6 Ų106.657%0.56758%0.575SS**Hα-helixtrans-57.8-44.2177.5-69.9-8.8000111.4E141 I147 D148 D149E141-D145 PolarHBondContact O-N 2.95Å; E141-D145 VanDerWaalsContact O-N 3.12Å; D145-I147 PolarHBondContact O-N 3.08Å; D145-D148 PolarHBondContact O-N 2.83Å; D145-D149 WeakPolarHBondContact O-CB 3.47Å; D145-D149 PolarHBondContact O-N 3.19Å
146A59.8Low59.8Low66 Ų66108 Ų10855%0.54558%0.583SS.*Hα-helixtrans-69.2-10.5176.400000114.7M142 N144M142-A146 PolarHBondContact O-N 3.08Å; N144-A146 VanDerWaalsContact C-N 3.31Å; N144-A146 PolarHBondContact O-N 3.42Å
147I53.9Low58.7Low78 Ų78111.7 Ų111.740%0.460%0.599SS.*Hα-helixtrans-96.1-38.7174.9-72.5169.7000110.7M143 N144 D145 A150 M151M143-I147 HydrophobicContact CE-CD1 4.4Å; M143-I147 HydrophobicContact CG-CD1 4.25Å; M143-I147 VanDerWaalsContact O-CD1 3.3Å; M143-I147 WeakPolarHBondContact O-CD1 3.47Å; M143-I147 VanDerWaalsContact O-CG1 3.24Å; M143-I147 WeakPolarHBondContact O-CG1 3.25Å; M143-I147 PolarHBondContact O-N 3.48Å; N144-I147 WeakPolarHBondContact O-CA 3.34Å; N144-I147 PolarHBondContact O-N 3.36Å; D145-I147 PolarHBondContact O-N 3.08Å; I147-A150 PolarHBondContact O-N 3.3Å; I147-M151 WeakPolarHBondContact O-CB 3.38Å; I147-M151 WeakPolarHBondContact O-CG 3.36Å; I147-M151 PolarHBondContact O-N 3.45Å
148D56.3Low57.6Low125 Ų125116.2 Ų116.267%0.66862%0.617SS**Hα-helixtrans-66.9-42.2174.1-93.92.9000111.4N144 D145 A150 M151N144-D148 PolarHBondContact O-N 2.78Å; D145-D148 PolarHBondContact O-N 2.83Å; D148-A150 PolarHBondContact O-N 2.88Å; D148-M151 PolarHBondContact O-N 3.47Å
149D56.3Low56.8Low155 Ų155115.9 Ų115.983%0.82961%0.614SS**THydrogen-bonded Turntrans-65.1-20.9176.7-151.643.4000112.6D145D145-D149 WeakPolarHBondContact O-CB 3.47Å; D145-D149 PolarHBondContact O-N 3.19Å
150A54Low56.3Low83 Ų83111.8 Ų111.869%0.68660%0.602SS**THydrogen-bonded Turntrans-95.4-1.8173.800000113.9I147 D148I147-A150 PolarHBondContact O-N 3.3Å; D148-A150 PolarHBondContact O-N 2.88Å
151M48.5Very low56Low88 Ų88111.7 Ų111.743%0.43360%0.604SS.*  trans-11414.7179.7-79.7-155.463.900113.9M78 I147 D148 D153M78-M151 HydrophobicContact CE-CE 4.31Å; M78-M151 HydrophobicContact SD-CE 3.56Å; M78-M151 VanDerWaalsContact SD-CE 3.56Å; I147-M151 WeakPolarHBondContact O-CB 3.38Å; I147-M151 WeakPolarHBondContact O-CG 3.36Å; I147-M151 PolarHBondContact O-N 3.45Å; D148-M151 PolarHBondContact O-N 3.47Å; M151-D153 VanDerWaalsContact C-N 3.31Å; M151-D153 PolarHBondContact O-N 3.09Å
152G44.8Very low56.2Low64 Ų64108.4 Ų108.466%0.6660%0.6SS**  trans-61.987.2163.500000111.7E154G152-E154 PolarHBondContact O-N 2.98Å
153D48Very low56.3Low119 Ų119104.8 Ų104.864%0.63658%0.582SS**  trans-75.969.2173.1-150.755.3000107.9R71 M151R71-D153 IonicContact CZ-OD2 2.62Å; R71-D153 IonicContact NH2-OD2 3.45Å; R71-D153 PolarHBondContact NH2-OD2 3.34Å; M151-D153 VanDerWaalsContact C-N 3.31Å; M151-D153 PolarHBondContact O-N 3.09Å
154E45.3Very low56.4Low174 Ų17499.4 Ų99.481%0.81356%0.556SS**  trans-71.6134.2169.3-76.8-171.4155.300110.4G152G152-E154 PolarHBondContact O-N 2.98Å
155D45.8Very low57Low139 Ų13998.5 Ų98.574%0.74356%0.556SS**  trans58.2130.2166.8-59.6-26.3000120.7
156D49.3Very low57.8Low89 Ų8998.3 Ų98.348%0.47655%0.552SS.*  171.988.7125.1-93-29.9000110.3
157E49.2Very low58.7Low187 Ų18795.2 Ų95.287%0.87453%0.526SS*.SBendtrans-112.1-19.4160-66.5-159149.800112.8
158E52.7Low60Low196 Ų19693 Ų9392%0.91652%0.515SS*.G310 helixtrans-85.3-27-176.4-64.2-159.8147.300114.7S160E158-S160 PolarHBondContact O-N 3.31Å
159E55.2Low61.3Low98 Ų9891.4 Ų91.446%0.45851%0.506SS..G310 helixtrans-72.44.6-176.2-69.4-154.4153.300115.7D161 A162 I163E159-D161 PolarHBondContact O-N 3.11Å; E159-A162 PolarHBondContact O-N 2.93Å; E159-I163 HydrophobicContact CB-CD1 3.73Å; E159-I163 HydrophobicContact CB-CG1 3.92Å; E159-I163 WeakPolarHBondContact O-CG1 3.12Å; E159-I163 PolarHBondContact O-N 2.99Å
160S59.4Low62.4Low48 Ų4888.5 Ų88.534%0.33649%0.488SS..G310 helixtrans-62-15.3-162.779.80000117.1K64 E158 V164K64-S160 VanDerWaalsContact CE-O 3.29Å; K64-S160 WeakPolarHBondContact CE-O 3.39Å; K64-S160 PolarHBondContact NZ-OG 3.17Å; E158-S160 PolarHBondContact O-N 3.31Å; S160-V164 VanDerWaalsContact O-CG2 3.26Å; S160-V164 WeakPolarHBondContact O-CG2 3.04Å
161D62.7Low63.5Low83 Ų8385.5 Ų85.544%0.44446%0.46SS..G310 helixtrans-98.8-30.6172.5-91.810000112.9K60 K64 E159 V164 S165K60-D161 WeakPolarHBondContact CE-OD1 3.49Å; K60-D161 IonicContact NZ-OD1 2.74Å; K60-D161 PolarHBondContact NZ-OD1 3.49Å; K60-D161 IonicContact NZ-OD2 3.71Å; K60-D161 PolarHBondContact NZ-OD2 3.38Å; K64-D161 IonicContact NZ-OD1 2.76Å; E159-D161 PolarHBondContact O-N 3.11Å; D161-V164 PolarHBondContact O-N 3.11Å; D161-S165 PolarHBondContact O-N 3.06Å
162A73.6Confident64.6Low62 Ų6283.6 Ų83.651%0.51246%0.464SS..Hα-helixtrans-64.3-43.4171.200000110.7E159 V164 S165 Q166E159-A162 PolarHBondContact O-N 2.93Å; A162-V164 PolarHBondContact O-N 3.24Å; A162-S165 WeakPolarHBondContact O-CB 3.38Å; A162-S165 PolarHBondContact O-N 3.16Å; A162-S165 VanDerWaalsContact O-N 3.08Å; A162-Q166 PolarHBondContact O-N 2.75Å
163I68.9Low65.8Low34 Ų3482.3 Ų82.317%0.17444%0.441CS..Hα-helixtrans-60.1-33.8174.9-61.1165.5000111.3V67 E159 Q166 V167V67-I163 HydrophobicContact CB-CG2 4.26Å; V67-I163 HydrophobicContact CG1-CG2 4Å; V67-I163 HydrophobicContact CG2-CG2 3.26Å; E159-I163 HydrophobicContact CB-CD1 3.73Å; E159-I163 HydrophobicContact CB-CG1 3.92Å; E159-I163 WeakPolarHBondContact O-CG1 3.12Å; E159-I163 PolarHBondContact O-N 2.99Å; I163-Q166 PolarHBondContact O-N 3.08Å; I163-V167 HydrophobicContact CG2-CG2 4.41Å; I163-V167 WeakPolarHBondContact O-CB 3.24Å; I163-V167 VanDerWaalsContact O-CG2 3.27Å; I163-V167 WeakPolarHBondContact O-CG2 3.43Å; I163-V167 PolarHBondContact O-N 3.39Å
164V72.1Confident66.4Low11 Ų1181 Ų817%0.06743%0.434CS..Hα-helixtrans-67.9-40.9175.9172.90000111K60 A63 K64 S160 D161 A162 V167 L168K60-V164 HydrophobicContact CG-CG1 4.48Å; K60-V164 HydrophobicContact CG-CG2 4.33Å; A63-V164 HydrophobicContact CB-CB 4.41Å; A63-V164 HydrophobicContact CB-CG1 4.08Å; A63-V164 HydrophobicContact CB-CG2 3.92Å; K64-V164 HydrophobicContact CG-CG2 4.25Å; S160-V164 VanDerWaalsContact O-CG2 3.26Å; S160-V164 WeakPolarHBondContact O-CG2 3.04Å; D161-V164 PolarHBondContact O-N 3.11Å; A162-V164 PolarHBondContact O-N 3.24Å; V164-V167 PolarHBondContact O-N 3.46Å; V164-L168 HydrophobicContact CG1-CD1 4.35Å; V164-L168 WeakPolarHBondContact O-CG 3.41Å; V164-L168 PolarHBondContact O-N 3.2Å; V164-L168 VanDerWaalsContact O-N 3.11Å
165S77.9Confident66.8Low63 Ų6379.4 Ų79.444%0.44143%0.431SS..Hα-helixtrans-60.1-52172.6-162.30000110.8D161 A162 V167 L168 D169D161-S165 PolarHBondContact O-N 3.06Å; A162-S165 WeakPolarHBondContact O-CB 3.38Å; A162-S165 PolarHBondContact O-N 3.16Å; A162-S165 VanDerWaalsContact O-N 3.08Å; S165-V167 VanDerWaalsContact C-N 3.28Å; S165-V167 PolarHBondContact O-N 3.19Å; S165-L168 WeakPolarHBondContact O-CA 3.48Å; S165-L168 WeakPolarHBondContact O-CB 3.4Å; S165-L168 PolarHBondContact O-N 3.06Å; S165-D169 VanDerWaalsContact O-CG 3.24Å; S165-D169 PolarHBondContact O-N 3.31Å
166Q79.4Confident67.1Low102 Ų10276 Ų7648%0.47742%0.418SS..Hα-helixtrans-55.5-42.1178.2-178.1-172.3-25.400112.2A162 I163 L168 D169 E170A162-Q166 PolarHBondContact O-N 2.75Å; I163-Q166 PolarHBondContact O-N 3.08Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 2.96Å; Q166-D169 PolarHBondContact O-N 3.31Å; Q166-E170 HydrophobicContact CG-CG 4.42Å; Q166-E170 PolarHBondContact NE2-OE1 3.03Å; Q166-E170 WeakPolarHBondContact O-CB 3.27Å; Q166-E170 WeakPolarHBondContact O-CG 3.48Å; Q166-E170 PolarHBondContact O-N 3.24Å
167V79.8Confident67.3Low2 Ų277.2 Ų77.21%0.01242%0.424CS..Hα-helixtrans-63.4-38.3176.3163.50000111.6A63 L66 V67 I163 V164 S165 L171A63-V167 HydrophobicContact CB-CG1 4.16Å; L66-V167 HydrophobicContact CD2-CG1 3.69Å; L66-V167 HydrophobicContact CD2-CG2 4.41Å; V67-V167 HydrophobicContact CG2-CG2 4.02Å; I163-V167 HydrophobicContact CG2-CG2 4.41Å; I163-V167 WeakPolarHBondContact O-CB 3.24Å; I163-V167 VanDerWaalsContact O-CG2 3.27Å; I163-V167 WeakPolarHBondContact O-CG2 3.43Å; I163-V167 PolarHBondContact O-N 3.39Å; V164-V167 PolarHBondContact O-N 3.46Å; S165-V167 VanDerWaalsContact C-N 3.28Å; S165-V167 PolarHBondContact O-N 3.19Å; V167-L171 HydrophobicContact CG1-CD1 4.08Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 VanDerWaalsContact O-CB 3.31Å; V167-L171 WeakPolarHBondContact O-CB 3.33Å; V167-L171 WeakPolarHBondContact O-CG 3.34Å; V167-L171 PolarHBondContact O-N 3.18Å
168L80.2Confident67.5Low32 Ų3274.4 Ų74.417%0.16841%0.411CS..Hα-helixtrans-68.2-40.6176.9-67.6171.7000111.8I47 V59 V164 S165 Q166 L171 G172 L173I47-L168 HydrophobicContact CG2-CD2 4.45Å; V59-L168 HydrophobicContact CG1-CD1 4.49Å; V59-L168 HydrophobicContact CG1-CD2 3.68Å; V164-L168 HydrophobicContact CG1-CD1 4.35Å; V164-L168 WeakPolarHBondContact O-CG 3.41Å; V164-L168 PolarHBondContact O-N 3.2Å; V164-L168 VanDerWaalsContact O-N 3.11Å; S165-L168 WeakPolarHBondContact O-CA 3.48Å; S165-L168 WeakPolarHBondContact O-CB 3.4Å; S165-L168 PolarHBondContact O-N 3.06Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 2.96Å; L168-L171 PolarHBondContact O-N 3Å; L168-G172 PolarHBondContact O-N 3.42Å; L168-L173 HydrophobicContact CD2-CB 4.29Å; L168-L173 HydrophobicContact CD2-CD1 3.81Å; L168-L173 PolarHBondContact O-N 3.32Å
169D83.9Confident67.6Low90 Ų9071.4 Ų71.448%0.48140%0.401SS..Hα-helixtrans-64.3-48.4176-58.8-32.1000111S165 Q166 L171 G172S165-D169 VanDerWaalsContact O-CG 3.24Å; S165-D169 PolarHBondContact O-N 3.31Å; Q166-D169 PolarHBondContact O-N 3.31Å; D169-L171 PolarHBondContact O-N 2.71Å; D169-G172 PolarHBondContact O-N 3.19Å
170E79Confident67.3Low94 Ų9471.4 Ų71.444%0.43941%0.412SS..Hα-helixtrans-55.9-36.6173.4-82.8-177.9-155.900112.7R70 Q166 G172R70-E170 IonicContact CZ-OE2 3.99Å; R70-E170 VanDerWaalsContact CZ-OE2 3.27Å; R70-E170 IonicContact NH1-OE1 3.5Å; R70-E170 IonicContact NH1-OE2 3.53Å; R70-E170 PolarHBondContact NH1-OE2 3.46Å; R70-E170 IonicContact NH2-OE2 2.69Å; R70-E170 PolarHBondContact NH2-OE2 2.94Å; Q166-E170 HydrophobicContact CG-CG 4.42Å; Q166-E170 PolarHBondContact NE2-OE1 3.03Å; Q166-E170 WeakPolarHBondContact O-CB 3.27Å; Q166-E170 WeakPolarHBondContact O-CG 3.48Å; Q166-E170 PolarHBondContact O-N 3.24Å; E170-G172 PolarHBondContact O-N 3.14Å
171L78.1Confident66.8Low20 Ų2075.3 Ų75.311%0.10543%0.428CS..THydrogen-bonded Turntrans-80.4-6.3-179.7-71-174.7000113.3I44 I47 K48 V167 L168 D169 L173I44-L171 HydrophobicContact CB-CD2 4.4Å; I44-L171 HydrophobicContact CD1-CD2 4.46Å; I44-L171 HydrophobicContact CG1-CD2 4.14Å; I44-L171 HydrophobicContact CG2-CD1 4.42Å; I44-L171 HydrophobicContact CG2-CD2 3.53Å; I47-L171 HydrophobicContact CB-CD1 4.26Å; I47-L171 HydrophobicContact CD1-CD1 4.49Å; I47-L171 HydrophobicContact CG2-CD1 3.66Å; K48-L171 VanDerWaalsContact CE-O 3.25Å; K48-L171 WeakPolarHBondContact CE-O 3.27Å; K48-L171 PolarHBondContact NZ-O 2.91Å; V167-L171 HydrophobicContact CG1-CD1 4.08Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 VanDerWaalsContact O-CB 3.31Å; V167-L171 WeakPolarHBondContact O-CB 3.33Å; V167-L171 WeakPolarHBondContact O-CG 3.34Å; V167-L171 PolarHBondContact O-N 3.18Å; L168-L171 PolarHBondContact O-N 3Å; D169-L171 PolarHBondContact O-N 2.71Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 HydrophobicContact CB-CD1 3.97Å; L171-L173 HydrophobicContact CB-CG 4.09Å; L171-L173 HydrophobicContact CD1-CD1 4.25Å
172G71.6Confident66.2Low49 Ų4977.3 Ų77.351%0.50544%0.439SS..THydrogen-bonded Turntrans69.326.6-176.300000112.7L168 D169 E170 N174L168-G172 PolarHBondContact O-N 3.42Å; D169-G172 PolarHBondContact O-N 3.19Å; E170-G172 PolarHBondContact O-N 3.14Å; G172-N174 PolarHBondContact O-N 2.93Å; G172-N174 VanDerWaalsContact O-N 3.16Å
173L70.1Confident64.9Low37 Ų3779.2 Ų79.219%0.19445%0.446CS..  trans-88.950.6178.9-65.7168.5000110.6I47 K48 A51 L168 L171 L175I47-L173 HydrophobicContact CG2-CD1 3.98Å; K48-L173 HydrophobicContact CG-CD1 4.07Å; K48-L173 HydrophobicContact CG-CD2 4.18Å; K48-L173 HydrophobicContact CG-CG 4.38Å; A51-L173 HydrophobicContact CB-CD1 3.93Å; A51-L173 HydrophobicContact CB-CD2 4.22Å; L168-L173 HydrophobicContact CD2-CB 4.29Å; L168-L173 HydrophobicContact CD2-CD1 3.81Å; L168-L173 PolarHBondContact O-N 3.32Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 HydrophobicContact CB-CD1 3.97Å; L171-L173 HydrophobicContact CB-CG 4.09Å; L171-L173 HydrophobicContact CD1-CD1 4.25Å; L173-L175 PolarHBondContact O-N 3.15Å; L173-L175 VanDerWaalsContact O-N 3.13Å
174N59.5Low64Low91 Ų9183.3 Ų83.349%0.48748%0.477SS..  trans-63.4113.4171.9-80.6-33.5000109.1G172 S176 D177G172-N174 PolarHBondContact O-N 2.93Å; G172-N174 VanDerWaalsContact O-N 3.16Å; N174-S176 PolarHBondContact O-N 3.38Å; N174-D177 PolarHBondContact O-N 3.42Å
175L54.5Low62.7Low141 Ų14189.2 Ų89.274%0.73851%0.514SS*.THydrogen-bonded Turntrans-58.4-13.2-178.3-164.967.6000113.4L173L173-L175 PolarHBondContact O-N 3.15Å; L173-L175 VanDerWaalsContact O-N 3.13Å
176S51.1Low61Low67 Ų6789.8 Ų89.847%0.46953%0.53SS..Hα-helixtrans-74.1-23.3178.834.30000115.5N174 E178 L179 S180N174-S176 PolarHBondContact O-N 3.38Å; S176-E178 VanDerWaalsContact C-N 3.31Å; S176-E178 PolarHBondContact O-N 3.43Å; S176-L179 PolarHBondContact O-N 3.26Å; S176-S180 PolarHBondContact O-N 2.97Å; S176-S180 VanDerWaalsContact O-N 3.12Å; S176-S180 PolarHBondContact O-OG 3.11Å
177D54.8Low59Low115 Ų11588 Ų8862%0.61554%0.538SS*.Hα-helixtrans-70.4-25.6-179-91.8-6.3000113.1N174 N181N174-D177 PolarHBondContact O-N 3.42Å; D177-N181 PolarHBondContact O-ND2 3.39Å
178E53.7Low57.4Low127 Ų12793.5 Ų93.559%0.59358%0.577SS**Hα-helixtrans-87.9-29.8174.1-111.8170.4-171.900112.6S176 S180 N181 L182S176-E178 VanDerWaalsContact C-N 3.31Å; S176-E178 PolarHBondContact O-N 3.43Å; E178-S180 VanDerWaalsContact C-N 3.28Å; E178-S180 PolarHBondContact O-N 3.12Å; E178-N181 PolarHBondContact O-N 3.34Å; E178-L182 PolarHBondContact O-N 2.99Å
179L53.3Low55.2Low134 Ų13499.5 Ų99.570%0.70261%0.608SS**Hα-helixtrans-69-28.8174-153.275.1000112.2S176 N181 L182S176-L179 PolarHBondContact O-N 3.26Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-L182 HydrophobicContact CD1-CD1 4.2Å
180S50.7Low53.2Low98 Ų98100.6 Ų100.669%0.68562%0.623SS**THydrogen-bonded Turntrans-79.8-10.9174.4-54.20000114.1S176 E178S176-S180 PolarHBondContact O-N 2.97Å; S176-S180 VanDerWaalsContact O-N 3.12Å; S176-S180 PolarHBondContact O-OG 3.11Å; E178-S180 VanDerWaalsContact C-N 3.28Å; E178-S180 PolarHBondContact O-N 3.12Å
181N48.9Very low51Low129 Ų129102.6 Ų102.669%0.6964%0.641SS**THydrogen-bonded Turntrans-108.23.3-178.6-86.5-60.4000114.2D177 E178 L179 P183D177-N181 PolarHBondContact O-ND2 3.39Å; E178-N181 PolarHBondContact O-N 3.34Å; L179-N181 VanDerWaalsContact C-N 3.33Å; N181-P183 VanDerWaalsContact O-CD 3.25Å; N181-P183 WeakPolarHBondContact O-CD 3.19Å
182L48.8Very low49.1Very low126 Ų126106.5 Ų106.566%0.6668%0.676SS**SBendtrans-65.5114.5164.9-92.1150.6000108.8E178 L179 S184E178-L182 PolarHBondContact O-N 2.99Å; L179-L182 HydrophobicContact CD1-CD1 4.2Å; L182-S184 PolarHBondContact O-N 3.47Å; L182-S184 VanDerWaalsContact O-N 3.16Å
183P46.5Very low47.4Very low101 Ų101108.2 Ų108.266%0.65669%0.694SS**  trans-63.2123.7174.626.9-32.7000107.8N181 T185N181-P183 VanDerWaalsContact O-CD 3.25Å; N181-P183 WeakPolarHBondContact O-CD 3.19Å; P183-T185 VanDerWaalsContact C-N 3.34Å; P183-T185 PolarHBondContact O-N 3.48Å
184S50.2Low45.7Very low120 Ų120110.2 Ų110.284%0.83972%0.724SS**  trans-63.598171.246.20000108.5L182 G186L182-S184 PolarHBondContact O-N 3.47Å; L182-S184 VanDerWaalsContact O-N 3.16Å; S184-G186 PolarHBondContact O-N 3.1Å
185T45Very low44.8Very low136 Ų136115.8 Ų115.883%0.83474%0.744SS**  trans-74.260.2176.456.30000110.4P183 G187P183-T185 VanDerWaalsContact C-N 3.34Å; P183-T185 PolarHBondContact O-N 3.48Å; T185-G187 PolarHBondContact O-N 2.96Å
186G41.5Very low43.8Very low75 Ų75118.7 Ų118.777%0.77375%0.75SS**  trans-72.664.9167.500000110.1S184 S188S184-G186 PolarHBondContact O-N 3.1Å; G186-S188 PolarHBondContact O-N 3.42Å
187G37.1Very low42.9Very low63 Ų63120.2 Ų120.265%0.64977%0.767SS**  trans-60124.7177.400000110.6T185 L189T185-G187 PolarHBondContact O-N 2.96Å; G187-L189 PolarHBondContact O-N 2.76Å
188S46Very low42.1Very low118 Ų118123.1 Ų123.183%0.82578%0.777SS**  trans-62.2105.4173.5-177.70000110.2G186G186-S188 PolarHBondContact O-N 3.42Å
189L35.1Very low41.5Very low159 Ų159123.3 Ų123.383%0.83279%0.789SS**  trans-12788.8165.1-86.6168.8000108.8G187 V191G187-L189 PolarHBondContact O-N 2.76Å; L189-V191 PolarHBondContact O-N 2.69Å
190S41.2Very low41.1Very low113 Ų113125.2 Ų125.279%0.7979%0.794SS**  trans-61.3111.3167.1520000110.7
191V33Very low40.8Very low135 Ų135125 Ų12582%0.81880%0.799SS**  trans-126.6127.8161.8-176.40000108.1L189L189-V191 PolarHBondContact O-N 2.69Å
192A37.4Very low40.7Very low102 Ų102123.1 Ų123.184%0.84380%0.801SS**  trans-84.4140.9-173.800000112.7
193G37.7Very low40.5Very low86 Ų86124 Ų12489%0.88781%0.806SS**  trans98.8112.4152.500000117.4
194G34.1Very low40.8Very low79 Ų79122.7 Ų122.781%0.81480%0.803SS**  trans154.8110.6163.200000114.9
195K40.8Very low41Very low207 Ų207123.1 Ų123.190%0.980%0.796SS**  trans-56.1137.9175.6-61.6170174.5177.80113.2
196K32Very low41.6Very low202 Ų202119.2 Ų119.288%0.87878%0.778SS**  168.9142.3114.2-95.2177.6177.2-175.50115.2
197A34Very low42.6Very low99 Ų99120.8 Ų120.882%0.81877%0.768SS**  trans59.5125.1145.200000121.6
198E36.4Very low44.4Very low177 Ų177120.3 Ų120.383%0.82776%0.758SS**  trans-81.1148.3166.7-63.4163.6125.600111.8
199P41.3Very low45.8Very low130 Ų130119.3 Ų119.384%0.84474%0.744SS**  trans-102.4104168.534.7-25.9000111.4
200Q44.7Very low47.6Very low174 Ų174116.5 Ų116.581%0.81373%0.729SS**  trans-135.36175.5-112.9-179.19.900115.4
201A44.5Very low49.3Very low94 Ų94117.3 Ų117.378%0.77772%0.72SS**SBendtrans-92.4-4.8-17200000116
202A47Very low51.6Low90 Ų90117 Ų11774%0.74471%0.71SS**SBendtrans-98.4-7.1-168.900000115.7
203L46Very low53.4Low144 Ų144120.3 Ų120.375%0.75470%0.701SS**SBendtrans-98.2-33.5-177.9-72.6166000113D205L203-D205 VanDerWaalsContact C-N 3.31Å; L203-D205 PolarHBondContact O-N 3.29Å
204A52.7Low55.4Low74 Ų74121.2 Ų121.261%0.61269%0.685SS**Hα-helixtrans-69.8-25.2-177.700000114.2A208A204-A208 PolarHBondContact O-N 3.19Å
205D53.8Low57.7Low128 Ų128122 Ų12268%0.68467%0.67SS**Hα-helixtrans-77.3-32.2-177-141.822.9000111.7L203 D209L203-D205 VanDerWaalsContact C-N 3.31Å; L203-D205 PolarHBondContact O-N 3.29Å; D205-D209 PolarHBondContact O-N 3.03Å
206A56.7Low59.5Low55 Ų55116.8 Ų116.846%0.45565%0.652SS.*Hα-helixtrans-73.6-35.3178.600000112.8L210A206-L210 WeakPolarHBondContact O-CG 3.49Å; A206-L210 PolarHBondContact O-N 2.96Å
207D63.9Low61.5Low107 Ų107114 Ų11457%0.57265%0.646SS**Hα-helixtrans-69.9-36.6177.1-72.4-22.1000111.4L210 E211D207-L210 PolarHBondContact O-N 2.84Å; D207-E211 PolarHBondContact O-N 3.49Å
208A73.6Confident63.4Low53 Ų53119 Ų11944%0.43864%0.644SS.*Hα-helixtrans-64.6-4517800000113.1A204 L210 E211 E212A204-A208 PolarHBondContact O-N 3.19Å; A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 2.74Å; A208-E211 PolarHBondContact O-N 3.08Å; A208-E212 PolarHBondContact O-N 3.42Å
209D76.1Confident64.8Low97 Ų97120.9 Ų120.952%0.51964%0.644SS.*Hα-helixtrans-68.6-27179.4-163.137.7000112D205 R213D205-D209 PolarHBondContact O-N 3.03Å; D209-R213 WeakPolarHBondContact O-CG 3.32Å; D209-R213 PolarHBondContact O-N 2.97Å
210L73.6Confident65.2Low100 Ų100124.9 Ų124.952%0.52466%0.658SS.*Hα-helixtrans-74.7-40.1171.2-74.8170.5000112.8A206 D207 A208 R213 L214A206-L210 WeakPolarHBondContact O-CG 3.49Å; A206-L210 PolarHBondContact O-N 2.96Å; D207-L210 PolarHBondContact O-N 2.84Å; A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 2.74Å; L210-R213 PolarHBondContact O-N 3.35Å; L210-L214 WeakPolarHBondContact O-CB 3.25Å; L210-L214 PolarHBondContact O-N 3.25Å
211E76.9Confident66.2Low130 Ų130122.4 Ų122.461%0.60765%0.65SS**Hα-helixtrans-65.8-39.3175.9-76-165.2159.500112.5D207 A208 L214 N215D207-E211 PolarHBondContact O-N 3.49Å; A208-E211 PolarHBondContact O-N 3.08Å; E211-L214 PolarHBondContact O-N 3.1Å; E211-N215 PolarHBondContact O-N 3.23Å; E211-N215 PolarHBondContact O-ND2 2.86Å; E211-N215 VanDerWaalsContact O-ND2 3.11Å
212E81.1Confident67.3Low130 Ų130123.9 Ų123.961%0.60764%0.643SS**Hα-helixtrans-65.8-40.2176.6-170164.6-157.300111.6A208 N215 N216A208-E212 PolarHBondContact O-N 3.42Å; E212-N215 PolarHBondContact O-N 3.28Å; E212-N216 PolarHBondContact O-N 3.25Å; E212-N216 VanDerWaalsContact O-N 3.09Å; E212-N216 PolarHBondContact O-ND2 3Å
213R75.3Confident68.5Low170 Ų170125.8 Ų125.864%0.64264%0.638SS**Hα-helixtrans-61.9-41.5171.9-78.2175.2161.1-155.8-6.2113.1D209 L210 N216 L217D209-R213 WeakPolarHBondContact O-CG 3.32Å; D209-R213 PolarHBondContact O-N 2.97Å; L210-R213 PolarHBondContact O-N 3.35Å; R213-N216 PolarHBondContact O-N 3.03Å; R213-L217 PolarHBondContact O-N 2.91Å; R213-L217 VanDerWaalsContact O-N 3.17Å
214L79.3Confident69.8Low105 Ų105124.7 Ų124.755%0.5563%0.631SS.*Hα-helixtrans-66.8-34176.6-84.2164.4000113.1L210 E211 R218L210-L214 WeakPolarHBondContact O-CB 3.25Å; L210-L214 PolarHBondContact O-N 3.25Å; E211-L214 PolarHBondContact O-N 3.1Å; L214-R218 WeakPolarHBondContact O-CG 2.9Å; L214-R218 PolarHBondContact O-N 3.29Å
215N82.7Confident70.9Confident95 Ų95127.9 Ų127.951%0.50863%0.632SS.*Hα-helixtrans-73.6-34.1177.3-77-41.2000112.7E211 E212 R218E211-N215 PolarHBondContact O-N 3.23Å; E211-N215 PolarHBondContact O-ND2 2.86Å; E211-N215 VanDerWaalsContact O-ND2 3.11Å; E212-N215 PolarHBondContact O-N 3.28Å; N215-R218 PolarHBondContact O-N 2.83Å
216N78.2Confident72Confident98 Ų98127.9 Ų127.952%0.52463%0.628SS.*Hα-helixtrans-68.3-39.6173-74.1-32.4000111.9E212 R213 R218 R219E212-N216 PolarHBondContact O-N 3.25Å; E212-N216 VanDerWaalsContact O-N 3.09Å; E212-N216 PolarHBondContact O-ND2 3Å; R213-N216 PolarHBondContact O-N 3.03Å; N216-R218 PolarHBondContact O-N 3.37Å; N216-R218 VanDerWaalsContact O-N 3.14Å; N216-R219 PolarHBondContact O-N 3.3Å
217L74.4Confident73.1Confident144 Ų144133.1 Ų133.175%0.75464%0.641SS**THydrogen-bonded Turntrans-67.4-10.4175.5-123.386.1000114.9R213R213-L217 PolarHBondContact O-N 2.91Å; R213-L217 VanDerWaalsContact O-N 3.17Å
218R73.5Confident73.8Confident205 Ų205135.1 Ų135.177%0.77465%0.646SS**THydrogen-bonded Turntrans-100.54179-82.4178.2141158.5-2.1113.6L214 N215 N216L214-R218 WeakPolarHBondContact O-CG 2.9Å; L214-R218 PolarHBondContact O-N 3.29Å; N215-R218 PolarHBondContact O-N 2.83Å; N216-R218 PolarHBondContact O-N 3.37Å; N216-R218 VanDerWaalsContact O-N 3.14Å
219R66.1Low73.8Confident216 Ų216141.9 Ų141.982%0.81566%0.664SS**  trans-114.2-6-174.6-106.5-179.6166.5177.3-3.5115.1N216N216-R219 PolarHBondContact O-N 3.3Å
220D48.7Very low73.6Confident213 Ų213146 Ų146100%1.13968%0.677SS**  trans-99.60164-66-34.9000110.3

Retrieved 220 of 220 residues in 91.1 ms (Link to these results)

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