A0A087Y994_POEFO Loading...

Coiled-coil domain containing 50a

AlphaFold DB , UniProt , Accession A0A087Y994, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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
1M43Very low63Low241 Ų241138.7 Ų138.7100%1.18776%0.756SS**  0146.60-66.1167.8179.500107
2A51Low63.9Low92 Ų92141.2 Ų141.276%0.7675%0.754SS**  trans-91.3112.4178.300000109.4C4A2-C4 PolarHBondContact O-N 2.94Å; A2-C4 VanDerWaalsContact O-N 3.09Å
3E55.8Low65Low166 Ų166138.4 Ų138.478%0.77674%0.738SS**  trans-7893.5178-70176.6-170.500109.9N5E3-N5 PolarHBondContact O-N 3.01Å; E3-N5 PolarHBondContact O-ND2 2.77Å
4C52.5Low66.1Low111 Ų111133.6 Ų133.675%0.7572%0.719SS**  trans-69.180.4175-65.50000110.5A2 V6A2-C4 PolarHBondContact O-N 2.94Å; A2-C4 VanDerWaalsContact O-N 3.09Å; C4-V6 HydrophobicContact CB-CG2 4.47Å; C4-V6 PolarHBondContact O-N 3.13Å
5N57.4Low67.5Low135 Ų135127.1 Ų127.172%0.72270%0.695SS**  trans-69.778172.5-77.4-78.5000110.1E3 S7E3-N5 PolarHBondContact O-N 3.01Å; E3-N5 PolarHBondContact O-ND2 2.77Å; N5-S7 PolarHBondContact O-N 3.02Å; N5-S7 VanDerWaalsContact O-N 3.1Å
6V67.8Low68.7Low114 Ų114126.4 Ų126.469%0.69170%0.696SS**  trans-73.798.4176.6-1780000109C4 I8C4-V6 HydrophobicContact CB-CG2 4.47Å; C4-V6 PolarHBondContact O-N 3.13Å; V6-I8 HydrophobicContact CG1-CG1 4.27Å; V6-I8 PolarHBondContact O-N 3.06Å
7S68.8Low69.8Low121 Ų121130.1 Ų130.185%0.84670%0.703SS**  trans-6792.6172-61.20000110.6N5 D9N5-S7 PolarHBondContact O-N 3.02Å; N5-S7 VanDerWaalsContact O-N 3.1Å; S7-D9 PolarHBondContact O-N 2.81Å
8I73.1Confident70.8Confident112 Ų112129 Ų12957%0.57469%0.693SS**  trans-68.6117.2-178.4-57.2-179.8000110.2V6 Q10 L13V6-I8 HydrophobicContact CG1-CG1 4.27Å; V6-I8 PolarHBondContact O-N 3.06Å; I8-Q10 PolarHBondContact O-N 3.22Å; I8-L13 HydrophobicContact CG2-CD1 3.91Å; I8-L13 HydrophobicContact CG2-CD2 3.71Å; I8-L13 HydrophobicContact CG2-CG 3.97Å
9D78Confident71.9Confident70 Ų70124.8 Ų124.837%0.37467%0.672SS.*  trans-70.495.6175.9-177.2-1.6000110.5S7 K11 K12S7-D9 PolarHBondContact O-N 2.81Å; D9-K11 PolarHBondContact O-N 3.03Å; D9-K11 WeakPolarHBondContact OD1-CB 3.48Å; D9-K11 PolarHBondContact OD1-N 3.02Å; D9-K11 VanDerWaalsContact OD1-N 3.13Å; D9-K12 HydrophobicContact CB-CB 4.43Å; D9-K12 HydrophobicContact CB-CD 4.37Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-K12 WeakPolarHBondContact OD2-CD 3.21Å; D9-K12 WeakPolarHBondContact OD2-CE 3.45Å; D9-K12 WeakPolarHBondContact OD2-CG 3.15Å; D9-K12 IonicContact OD2-NZ 3.06Å; D9-K12 PolarHBondContact OD2-NZ 3.28Å
10Q72.1Confident72.8Confident167 Ų167122.6 Ų122.678%0.7867%0.666SS**THydrogen-bonded Turntrans-59.1-16.3-178.5-64-1792.300113.7I8 K12I8-Q10 PolarHBondContact O-N 3.22Å; Q10-K12 VanDerWaalsContact C-N 3.33Å
11K73.6Confident73.8Confident197 Ų197123.5 Ų123.586%0.85766%0.663SS**THydrogen-bonded Turntrans-85-5.3176-60.9-178.5-179.5178.70113.5D9D9-K11 PolarHBondContact O-N 3.03Å; D9-K11 WeakPolarHBondContact OD1-CB 3.48Å; D9-K11 PolarHBondContact OD1-N 3.02Å; D9-K11 VanDerWaalsContact OD1-N 3.13Å
12K74.1Confident76.1Confident168 Ų168116.2 Ų116.273%0.7363%0.629SS**SBendtrans-115.1-0176.4-70.2179.5-173.4146.90113.8D9 Q10D9-K12 HydrophobicContact CB-CB 4.43Å; D9-K12 HydrophobicContact CB-CD 4.37Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-K12 WeakPolarHBondContact OD2-CD 3.21Å; D9-K12 WeakPolarHBondContact OD2-CE 3.45Å; D9-K12 WeakPolarHBondContact OD2-CG 3.15Å; D9-K12 IonicContact OD2-NZ 3.06Å; D9-K12 PolarHBondContact OD2-NZ 3.28Å; Q10-K12 VanDerWaalsContact C-N 3.33Å
13L78.4Confident78.2Confident105 Ų105118.6 Ų118.655%0.5562%0.623SS.*SBendtrans-71.8125173.7-70.5177.6000109.3I8I8-L13 HydrophobicContact CG2-CD1 3.91Å; I8-L13 HydrophobicContact CG2-CD2 3.71Å; I8-L13 HydrophobicContact CG2-CG 3.97Å
14P80.1Confident80Confident72 Ų72112.9 Ų112.947%0.46860%0.603SS.*PPolyproline II helixtrans-60.7148.4171.525.6-33.5000110.3E18 V19P14-E18 HydrophobicContact CB-CB 4.47Å; P14-V19 HydrophobicContact CB-CG2 3.96Å; P14-V19 HydrophobicContact CG-CG2 3.57Å
15G87.3Confident82Confident35 Ų35111.6 Ų111.636%0.36159%0.592SS.*PPolyproline II helixtrans-62.7144.7178.100000111K17 E18 V19G15-K17 PolarHBondContact O-N 3.1Å; G15-E18 PolarHBondContact N-OE2 2.88Å; G15-E18 WeakPolarHBondContact O-CA 3.42Å; G15-E18 WeakPolarHBondContact O-CB 3.42Å; G15-E18 PolarHBondContact O-N 3.23Å; G15-V19 PolarHBondContact O-N 3.28Å
16V86.8Confident83.8Confident116 Ų116110.3 Ų110.370%0.70359%0.585SS**Hα-helixtrans-52.5-34.6-178.9-178.30000112.2C20V16-C20 WeakPolarHBondContact O-CB 3.39Å; V16-C20 PolarHBondContact O-N 2.95Å; V16-C20 PolarHBondContact O-SG 3.01Å
17K87.8Confident85.1Confident189 Ų189111.9 Ų111.982%0.82259%0.585SS**Hα-helixtrans-68.5-30.8175.8-64.7-175.8178.4-1780114G15 K21G15-K17 PolarHBondContact O-N 3.1Å; K17-K21 WeakPolarHBondContact O-CB 3.34Å; K17-K21 PolarHBondContact O-N 3.38Å
18E87.6Confident86.5Confident111 Ų111111.3 Ų111.352%0.51957%0.572SS.*Hα-helixtrans-74.3-48.7176.1-58172.5143.500108.6P14 G15 C20 K21 D22P14-E18 HydrophobicContact CB-CB 4.47Å; G15-E18 PolarHBondContact N-OE2 2.88Å; G15-E18 WeakPolarHBondContact O-CA 3.42Å; G15-E18 WeakPolarHBondContact O-CB 3.42Å; G15-E18 PolarHBondContact O-N 3.23Å; E18-C20 PolarHBondContact O-N 3.29Å; E18-K21 WeakPolarHBondContact O-CA 3.37Å; E18-K21 WeakPolarHBondContact O-CB 3.49Å; E18-K21 PolarHBondContact O-N 3.1Å; E18-D22 PolarHBondContact O-N 2.82Å
19V90.7Very high87.6Confident50 Ų50112 Ų11230%0.30357%0.573SS.*Hα-helixtrans-54.7-48.8173.8178.80000111.8P14 G15 K21 D22 F23P14-V19 HydrophobicContact CB-CG2 3.96Å; P14-V19 HydrophobicContact CG-CG2 3.57Å; G15-V19 PolarHBondContact O-N 3.28Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 2.92Å; V19-D22 PolarHBondContact O-N 3.17Å; V19-F23 HydrophobicContact CG1-CD2 3.68Å; V19-F23 HydrophobicContact CG1-CE2 3.78Å; V19-F23 WeakPolarHBondContact O-CD2 3.43Å; V19-F23 PolarHBondContact O-N 2.98Å
20C91.2Very high88.4Confident80 Ų80111.8 Ų111.854%0.54158%0.576SS.*Hα-helixtrans-62.5-32.9176.9-70.40000113.2V16 E18 A24V16-C20 WeakPolarHBondContact O-CB 3.39Å; V16-C20 PolarHBondContact O-N 2.95Å; V16-C20 PolarHBondContact O-SG 3.01Å; E18-C20 PolarHBondContact O-N 3.29Å; C20-A24 WeakPolarHBondContact O-CB 3.42Å; C20-A24 PolarHBondContact O-N 3.35Å; C20-A24 VanDerWaalsContact O-N 3.1Å
21K92.3Very high89.7Confident142 Ų142108.7 Ų108.762%0.61756%0.564SS**Hα-helixtrans-70.9-43.9175.9-176.6-164.8172.4-158.60111K17 E18 V19 A24 V25K17-K21 WeakPolarHBondContact O-CB 3.34Å; K17-K21 PolarHBondContact O-N 3.38Å; E18-K21 WeakPolarHBondContact O-CA 3.37Å; E18-K21 WeakPolarHBondContact O-CB 3.49Å; E18-K21 PolarHBondContact O-N 3.1Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 2.92Å; K21-A24 PolarHBondContact O-N 3.37Å; K21-V25 WeakPolarHBondContact O-CG2 3.46Å; K21-V25 PolarHBondContact O-N 2.84Å
22D91.8Very high90.8Very high88 Ų88101.8 Ų101.847%0.47154%0.544SS..Hα-helixtrans-67.3-38.3179.9-63.6-18.2000111E18 V19 V25 L26E18-D22 PolarHBondContact O-N 2.82Å; V19-D22 PolarHBondContact O-N 3.17Å; D22-V25 PolarHBondContact O-N 3.22Å; D22-L26 WeakPolarHBondContact O-CB 3.36Å; D22-L26 VanDerWaalsContact O-CG 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.47Å; D22-L26 PolarHBondContact O-N 3.47Å
23F94.4Very high91.9Very high142 Ų14299.5 Ų99.562%0.62353%0.532SS*.Hα-helixtrans-62.8-43.1170.8-91.6-75000112.9V19 V25 L26 E27V19-F23 HydrophobicContact CG1-CD2 3.68Å; V19-F23 HydrophobicContact CG1-CE2 3.78Å; V19-F23 WeakPolarHBondContact O-CD2 3.43Å; V19-F23 PolarHBondContact O-N 2.98Å; F23-V25 VanDerWaalsContact C-N 3.35Å; F23-V25 PolarHBondContact O-N 2.94Å; F23-L26 PolarHBondContact O-N 3.4Å; F23-E27 WeakPolarHBondContact O-CB 3.15Å; F23-E27 PolarHBondContact O-N 3.18Å
24A93.8Very high92.8Very high45 Ų4598.4 Ų98.437%0.37253%0.527SS..Hα-helixtrans-61.7-42.4175.800000111.8C20 K21 L26 E27 D28C20-A24 WeakPolarHBondContact O-CB 3.42Å; C20-A24 PolarHBondContact O-N 3.35Å; C20-A24 VanDerWaalsContact O-N 3.1Å; K21-A24 PolarHBondContact O-N 3.37Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 2.88Å; A24-E27 PolarHBondContact O-N 2.92Å; A24-D28 WeakPolarHBondContact O-CB 3.26Å; A24-D28 PolarHBondContact O-N 3.45Å
25V95Very high93.6Very high84 Ų8499.6 Ų99.651%0.50953%0.528SS..Hα-helixtrans-64.5-36175.4171.70000111.9K21 D22 F23 H29K21-V25 WeakPolarHBondContact O-CG2 3.46Å; K21-V25 PolarHBondContact O-N 2.84Å; D22-V25 PolarHBondContact O-N 3.22Å; F23-V25 VanDerWaalsContact C-N 3.35Å; F23-V25 PolarHBondContact O-N 2.94Å; V25-H29 WeakPolarHBondContact O-CB 3.27Å; V25-H29 PolarHBondContact O-N 2.93Å
26L95.9Very high94.1Very high109 Ų109103.1 Ų103.157%0.57154%0.536SS*.Hα-helixtrans-71.3-36.8175.2-73.4167.4000112.7D22 F23 A24 S30D22-L26 WeakPolarHBondContact O-CB 3.36Å; D22-L26 VanDerWaalsContact O-CG 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.47Å; D22-L26 PolarHBondContact O-N 3.47Å; F23-L26 PolarHBondContact O-N 3.4Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 2.88Å; L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.91Å
27E95.3Very high94.6Very high147 Ų147100.9 Ų100.969%0.68752%0.517SS*.Hα-helixtrans-67-49.8175-173.5169-165.100110.9F23 A24 H29 S30 L31F23-E27 WeakPolarHBondContact O-CB 3.15Å; F23-E27 PolarHBondContact O-N 3.18Å; A24-E27 PolarHBondContact O-N 2.92Å; E27-H29 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.74Å; E27-S30 PolarHBondContact O-N 3.47Å; E27-L31 WeakPolarHBondContact O-CB 3.24Å; E27-L31 PolarHBondContact O-N 3.31Å
28D96.7Very high95.1Very high108 Ų10897.7 Ų97.758%0.57851%0.505SS*.Hα-helixtrans-57.7-43.3173.2-78.5-22000111.7A24 L31 A32A24-D28 WeakPolarHBondContact O-CB 3.26Å; A24-D28 PolarHBondContact O-N 3.45Å; D28-L31 PolarHBondContact O-N 2.86Å; D28-A32 VanDerWaalsContact O-CB 3.26Å; D28-A32 WeakPolarHBondContact O-CB 3.34Å; D28-A32 PolarHBondContact O-N 2.84Å
29H96.4Very high95.5Very high128 Ų12898 Ų9859%0.59351%0.507SS*.Hα-helixtrans-68-40.3179.4-175.539.6000112.3V25 E27 A32 Y33V25-H29 WeakPolarHBondContact O-CB 3.27Å; V25-H29 PolarHBondContact O-N 2.93Å; E27-H29 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.74Å; H29-A32 PolarHBondContact O-N 3.09Å; H29-Y33 VanDerWaalsContact O-CB 3.32Å; H29-Y33 WeakPolarHBondContact O-CB 3.32Å; H29-Y33 PolarHBondContact O-N 3.34Å
30S96.5Very high95.8Very high64 Ų6498.8 Ų98.845%0.44851%0.509SS..Hα-helixtrans-62.7-45.4173.6-176.20000111.2L26 E27 Y33 N34L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.91Å; E27-S30 PolarHBondContact O-N 3.47Å; S30-Y33 PolarHBondContact O-N 3.43Å; S30-N34 WeakPolarHBondContact O-CB 3.28Å; S30-N34 PolarHBondContact O-N 3.25Å; S30-N34 PolarHBondContact O-ND2 2.66Å
31L97.6Very high96.1Very high102 Ų102101.3 Ų101.353%0.53451%0.513SS..Hα-helixtrans-62-46.9176.4178.858.9000111.6E27 D28 Y33 N34 L35E27-L31 WeakPolarHBondContact O-CB 3.24Å; E27-L31 PolarHBondContact O-N 3.31Å; D28-L31 PolarHBondContact O-N 2.86Å; L31-Y33 PolarHBondContact O-N 2.86Å; L31-N34 PolarHBondContact O-N 3.37Å; L31-L35 HydrophobicContact CD1-CD1 4.08Å; L31-L35 HydrophobicContact CD1-CG 4.27Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CB 3.33Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 3.29Å
32A97.5Very high96.4Very high52 Ų5298.2 Ų98.243%0.4351%0.509SS..Hα-helixtrans-61.7-41.7177.800000112.3D28 H29 L35 Q36D28-A32 VanDerWaalsContact O-CB 3.26Å; D28-A32 WeakPolarHBondContact O-CB 3.34Å; D28-A32 PolarHBondContact O-N 2.84Å; H29-A32 PolarHBondContact O-N 3.09Å; A32-L35 PolarHBondContact O-N 2.93Å; A32-Q36 WeakPolarHBondContact O-CB 3.32Å; A32-Q36 PolarHBondContact O-N 3.41Å
33Y97.6Very high96.6Very high120 Ų12098.9 Ų98.947%0.47151%0.509SS..Hα-helixtrans-63.2-46.9176.2-179.8-105.2000111.9H29 S30 L31 L35 Q36 E37H29-Y33 VanDerWaalsContact O-CB 3.32Å; H29-Y33 WeakPolarHBondContact O-CB 3.32Å; H29-Y33 PolarHBondContact O-N 3.34Å; S30-Y33 PolarHBondContact O-N 3.43Å; L31-Y33 PolarHBondContact O-N 2.86Å; Y33-L35 VanDerWaalsContact C-N 3.35Å; Y33-L35 PolarHBondContact O-N 2.89Å; Y33-Q36 PolarHBondContact O-N 3.47Å; Y33-E37 HydrophobicContact CD1-CG 4.49Å; Y33-E37 HydrophobicContact CE1-CG 3.96Å; Y33-E37 HydrophobicContact CE2-CG 3.98Å; Y33-E37 VanDerWaalsContact CE2-OE1 3.32Å; Y33-E37 WeakPolarHBondContact CE2-OE1 3.49Å; Y33-E37 PolarHBondContact O-N 3.2Å; Y33-E37 PolarHBondContact OH-OE1 2.88Å
34N96.6Very high96.7Very high83 Ų8397.1 Ų97.144%0.44451%0.505SS..Hα-helixtrans-64.2-36.9178.1-74.3-62.5000112.8S30 L31 Q38S30-N34 WeakPolarHBondContact O-CB 3.28Å; S30-N34 PolarHBondContact O-N 3.25Å; S30-N34 PolarHBondContact O-ND2 2.66Å; L31-N34 PolarHBondContact O-N 3.37Å; N34-Q38 WeakPolarHBondContact O-CG 3.43Å; N34-Q38 PolarHBondContact O-N 2.99Å
35L97.6Very high96.9Very high96 Ų9698 Ų9850%0.50351%0.513SS..Hα-helixtrans-67.1-40.7173.3-73169.3000111.8L31 A32 Y33 Q38 E39L31-L35 HydrophobicContact CD1-CD1 4.08Å; L31-L35 HydrophobicContact CD1-CG 4.27Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CB 3.33Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 3.29Å; A32-L35 PolarHBondContact O-N 2.93Å; Y33-L35 VanDerWaalsContact C-N 3.35Å; Y33-L35 PolarHBondContact O-N 2.89Å; L35-Q38 PolarHBondContact O-N 3.36Å; L35-E39 PolarHBondContact O-N 3Å
36Q97.5Very high97Very high110 Ų11096.1 Ų96.151%0.51450%0.503SS..Hα-helixtrans-63.5-43.6177.3-177.4177.92.100111.9A32 Y33 E39 I40A32-Q36 WeakPolarHBondContact O-CB 3.32Å; A32-Q36 PolarHBondContact O-N 3.41Å; Y33-Q36 PolarHBondContact O-N 3.47Å; Q36-E39 PolarHBondContact O-N 2.95Å; Q36-I40 HydrophobicContact CG-CD1 3.86Å; Q36-I40 WeakPolarHBondContact O-CB 3.43Å; Q36-I40 VanDerWaalsContact O-CG1 3.25Å; Q36-I40 WeakPolarHBondContact O-CG1 3.27Å; Q36-I40 PolarHBondContact O-N 3.43Å
37E96.9Very high97Very high68 Ų6894.7 Ų94.732%0.31850%0.496SS..Hα-helixtrans-63.9-41.1175.7-68.2-66.4176.200111.3Y33 E39 I40 E41Y33-E37 HydrophobicContact CD1-CG 4.49Å; Y33-E37 HydrophobicContact CE1-CG 3.96Å; Y33-E37 HydrophobicContact CE2-CG 3.98Å; Y33-E37 VanDerWaalsContact CE2-OE1 3.32Å; Y33-E37 WeakPolarHBondContact CE2-OE1 3.49Å; Y33-E37 PolarHBondContact O-N 3.2Å; Y33-E37 PolarHBondContact OH-OE1 2.88Å; E37-E39 PolarHBondContact O-N 3.21Å; E37-I40 PolarHBondContact O-N 3.47Å; E37-E41 WeakPolarHBondContact O-CB 3.32Å; E37-E41 WeakPolarHBondContact O-CG 3.25Å; E37-E41 PolarHBondContact O-N 3.41Å
38Q97.4Very high97.1Very high122 Ų12291.8 Ų91.857%0.5749%0.488SS*.Hα-helixtrans-62.4-39.2174.8-72.7175.221.200112.9N34 L35 S42N34-Q38 WeakPolarHBondContact O-CG 3.43Å; N34-Q38 PolarHBondContact O-N 2.99Å; L35-Q38 PolarHBondContact O-N 3.36Å; Q38-S42 WeakPolarHBondContact O-CB 3.36Å; Q38-S42 PolarHBondContact O-N 2.93Å
39E97.6Very high97.1Very high119 Ų11992.4 Ų92.456%0.55649%0.487SS*.Hα-helixtrans-64.6-44.4174.2-175.6177-179.400111.2L35 Q36 E37 S42 H43L35-E39 PolarHBondContact O-N 3Å; Q36-E39 PolarHBondContact O-N 2.95Å; E37-E39 PolarHBondContact O-N 3.21Å; E39-S42 PolarHBondContact O-N 3.46Å; E39-H43 WeakPolarHBondContact O-CB 3.39Å; E39-H43 PolarHBondContact O-CD2 3.37Å; E39-H43 VanDerWaalsContact O-CD2 3.27Å; E39-H43 PolarHBondContact O-N 2.76Å; E39-H43 IonicContact OE1-NE2 2.74Å
40I96.9Very high97.2Very high65 Ų6591.6 Ų91.633%0.33348%0.482SS..Hα-helixtrans-62.7-50.6177-71.6168.2000111.1Q36 E37 S42 H43 L44Q36-I40 HydrophobicContact CG-CD1 3.86Å; Q36-I40 WeakPolarHBondContact O-CB 3.43Å; Q36-I40 VanDerWaalsContact O-CG1 3.25Å; Q36-I40 WeakPolarHBondContact O-CG1 3.27Å; Q36-I40 PolarHBondContact O-N 3.43Å; E37-I40 PolarHBondContact O-N 3.47Å; I40-S42 PolarHBondContact O-N 2.97Å; I40-H43 PolarHBondContact O-N 2.92Å; I40-L44 HydrophobicContact CG2-CD1 3.69Å; I40-L44 HydrophobicContact CG2-CG 4.25Å; I40-L44 WeakPolarHBondContact O-CB 3.45Å; I40-L44 VanDerWaalsContact O-CG 3.25Å; I40-L44 WeakPolarHBondContact O-CG 3.34Å; I40-L44 PolarHBondContact O-N 3.28Å
41E97.3Very high97.2Very high134 Ų13493.2 Ų93.263%0.62649%0.486SS*.Hα-helixtrans-59.1-45178.1-75-170155.500111.8E37 L44 A45E37-E41 WeakPolarHBondContact O-CB 3.32Å; E37-E41 WeakPolarHBondContact O-CG 3.25Å; E37-E41 PolarHBondContact O-N 3.41Å; E41-L44 PolarHBondContact O-N 3.3Å; E41-A45 WeakPolarHBondContact O-CB 3.26Å; E41-A45 PolarHBondContact O-N 3.08Å
42S97.4Very high97.2Very high76 Ų7695.9 Ų95.953%0.53149%0.489SS..Hα-helixtrans-59.8-47176.8-178.70000112Q38 E39 I40 S46Q38-S42 WeakPolarHBondContact O-CB 3.36Å; Q38-S42 PolarHBondContact O-N 2.93Å; E39-S42 PolarHBondContact O-N 3.46Å; I40-S42 PolarHBondContact O-N 2.97Å; S42-S46 WeakPolarHBondContact O-CB 3.18Å; S42-S46 PolarHBondContact O-N 3.25Å
43H96.8Very high97.2Very high102 Ų10297.2 Ų97.247%0.47249%0.488SS..Hα-helixtrans-66.9-39.5176.5-76.1-41.1000112.9E39 I40 S46 N47E39-H43 WeakPolarHBondContact O-CB 3.39Å; E39-H43 PolarHBondContact O-CD2 3.37Å; E39-H43 VanDerWaalsContact O-CD2 3.27Å; E39-H43 PolarHBondContact O-N 2.76Å; E39-H43 IonicContact OE1-NE2 2.74Å; I40-H43 PolarHBondContact O-N 2.92Å; H43-S46 PolarHBondContact O-N 2.85Å; H43-N47 VanDerWaalsContact O-CB 3.28Å; H43-N47 WeakPolarHBondContact O-CB 3.37Å; H43-N47 PolarHBondContact O-N 2.93Å; H43-N47 PolarHBondContact O-ND2 3.18Å
44L97.1Very high97.1Very high105 Ų10595.6 Ų95.655%0.5549%0.491SS..Hα-helixtrans-63.8-46.6175.7-73.4173.6000111.4I40 E41 S46 N47 V48I40-L44 HydrophobicContact CG2-CD1 3.69Å; I40-L44 HydrophobicContact CG2-CG 4.25Å; I40-L44 WeakPolarHBondContact O-CB 3.45Å; I40-L44 VanDerWaalsContact O-CG 3.25Å; I40-L44 WeakPolarHBondContact O-CG 3.34Å; I40-L44 PolarHBondContact O-N 3.28Å; E41-L44 PolarHBondContact O-N 3.3Å; L44-S46 PolarHBondContact O-N 3.06Å; L44-N47 PolarHBondContact O-N 3.24Å; L44-V48 WeakPolarHBondContact O-CB 3.34Å; L44-V48 WeakPolarHBondContact O-CG2 3.5Å; L44-V48 PolarHBondContact O-N 2.61Å
45A97.3Very high97.1Very high65 Ų6597.5 Ų97.554%0.53750%0.497SS..Hα-helixtrans-60.4-44.9175.600000111.8E41 N47 V48 H49E41-A45 WeakPolarHBondContact O-CB 3.26Å; E41-A45 PolarHBondContact O-N 3.08Å; A45-N47 PolarHBondContact O-N 3.33Å; A45-V48 PolarHBondContact O-N 2.91Å; A45-H49 PolarHBondContact O-N 2.94Å
46S96.8Very high97.1Very high44 Ų4498.8 Ų98.831%0.30850%0.498SS..Hα-helixtrans-59.9-44.6175.2-168.50000112S42 H43 L44 H49 K50S42-S46 WeakPolarHBondContact O-CB 3.18Å; S42-S46 PolarHBondContact O-N 3.25Å; H43-S46 PolarHBondContact O-N 2.85Å; L44-S46 PolarHBondContact O-N 3.06Å; S46-H49 PolarHBondContact O-N 3.49Å; S46-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 WeakPolarHBondContact O-CD 3.36Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 3.29Å; S46-K50 WeakPolarHBondContact OG-CE 3.47Å; S46-K50 PolarHBondContact OG-NZ 3.43Å
47N96.7Very high97.1Very high78 Ų7897.4 Ų97.442%0.41750%0.495SS..Hα-helixtrans-71.1-36.9-179.5-71.7-23.9000112.5H43 L44 A45 H49 K50 N51H43-N47 VanDerWaalsContact O-CB 3.28Å; H43-N47 WeakPolarHBondContact O-CB 3.37Å; H43-N47 PolarHBondContact O-N 2.93Å; H43-N47 PolarHBondContact O-ND2 3.18Å; L44-N47 PolarHBondContact O-N 3.24Å; A45-N47 PolarHBondContact O-N 3.33Å; N47-H49 VanDerWaalsContact C-N 3.33Å; N47-K50 PolarHBondContact O-N 3.43Å; N47-N51 VanDerWaalsContact O-CB 3.28Å; N47-N51 WeakPolarHBondContact O-CB 3.25Å; N47-N51 VanDerWaalsContact O-CG 3.26Å; N47-N51 PolarHBondContact O-N 2.97Å; N47-N51 PolarHBondContact O-ND2 3.34Å; N47-N51 VanDerWaalsContact O-ND2 3.15Å
48V97.1Very high97.1Very high86 Ų8699.7 Ų99.752%0.52151%0.508SS..Hα-helixtrans-62.6-40.9171.41690000110.9L44 A45 R52L44-V48 WeakPolarHBondContact O-CB 3.34Å; L44-V48 WeakPolarHBondContact O-CG2 3.5Å; L44-V48 PolarHBondContact O-N 2.61Å; A45-V48 PolarHBondContact O-N 2.91Å; V48-R52 WeakPolarHBondContact O-CB 3.41Å; V48-R52 PolarHBondContact O-N 3.34Å
49H96.6Very high97Very high121 Ų12199.8 Ų99.856%0.5651%0.509SS*.Hα-helixtrans-64.2-50.3174.7-173.9101.1000111.9A45 S46 N47 N51 R52 L53A45-H49 PolarHBondContact O-N 2.94Å; S46-H49 PolarHBondContact O-N 3.49Å; N47-H49 VanDerWaalsContact C-N 3.33Å; H49-N51 PolarHBondContact O-N 2.85Å; H49-R52 WeakPolarHBondContact O-CB 3.25Å; H49-R52 PolarHBondContact O-N 3.28Å; H49-R52 VanDerWaalsContact O-N 3.16Å; H49-L53 PolarHBondContact O-N 3.36Å
50K97.7Very high97Very high112 Ų11298 Ų9849%0.48751%0.506SS..Hα-helixtrans-58.6-46178.6-72.8162178.2159.80112.1S46 N47 R52 L53 V54S46-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 WeakPolarHBondContact O-CD 3.36Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 3.29Å; S46-K50 WeakPolarHBondContact OG-CE 3.47Å; S46-K50 PolarHBondContact OG-NZ 3.43Å; N47-K50 PolarHBondContact O-N 3.43Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 3.45Å; K50-L53 WeakPolarHBondContact O-CB 3.32Å; K50-L53 PolarHBondContact O-N 3.12Å; K50-L53 VanDerWaalsContact O-N 3.15Å; K50-V54 WeakPolarHBondContact O-CG2 3.47Å; K50-V54 PolarHBondContact O-N 2.96Å
51N97.2Very high96.9Very high98 Ų9897.5 Ų97.552%0.52451%0.512SS..Hα-helixtrans-62.4-38.9175.9-74.9-32.4000112.1N47 H49 L53 Q55N47-N51 VanDerWaalsContact O-CB 3.28Å; N47-N51 WeakPolarHBondContact O-CB 3.25Å; N47-N51 VanDerWaalsContact O-CG 3.26Å; N47-N51 PolarHBondContact O-N 2.97Å; N47-N51 PolarHBondContact O-ND2 3.34Å; N47-N51 VanDerWaalsContact O-ND2 3.15Å; H49-N51 PolarHBondContact O-N 2.85Å; N51-L53 VanDerWaalsContact C-N 3.33Å; N51-Q55 WeakPolarHBondContact O-CB 3.28Å; N51-Q55 WeakPolarHBondContact O-CG 3.28Å; N51-Q55 PolarHBondContact O-N 3.19Å
52R97.2Very high97Very high158 Ų15896 Ų9660%0.59650%0.503SS*.Hα-helixtrans-66.9-32.7174.3179.6179-72.3165.5-2112.6V48 H49 K50 K56V48-R52 WeakPolarHBondContact O-CB 3.41Å; V48-R52 PolarHBondContact O-N 3.34Å; H49-R52 WeakPolarHBondContact O-CB 3.25Å; H49-R52 PolarHBondContact O-N 3.28Å; H49-R52 VanDerWaalsContact O-N 3.16Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 3.45Å; R52-K56 WeakPolarHBondContact O-CG 3.28Å; R52-K56 PolarHBondContact O-N 2.83Å
53L97Very high96.9Very high79 Ų7998.4 Ų98.441%0.41450%0.504SS..Hα-helixtrans-68.5-55174.5-175.557.6000110.2H49 K50 N51 Q55 K56 D57H49-L53 PolarHBondContact O-N 3.36Å; K50-L53 WeakPolarHBondContact O-CB 3.32Å; K50-L53 PolarHBondContact O-N 3.12Å; K50-L53 VanDerWaalsContact O-N 3.15Å; N51-L53 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; L53-K56 WeakPolarHBondContact O-CA 3.48Å; L53-K56 WeakPolarHBondContact O-CB 3.32Å; L53-K56 PolarHBondContact O-N 3.31Å; L53-D57 WeakPolarHBondContact CG-OD2 3.34Å; L53-D57 PolarHBondContact O-N 3.02Å
54V97.4Very high96.9Very high87 Ų8797.7 Ų97.753%0.52750%0.503SS..Hα-helixtrans-54.2-36.8175.9173.80000112.4K50 K56 D57 L58K50-V54 WeakPolarHBondContact O-CG2 3.47Å; K50-V54 PolarHBondContact O-N 2.96Å; V54-K56 PolarHBondContact O-N 2.97Å; V54-D57 PolarHBondContact O-N 2.81Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 PolarHBondContact O-N 2.84Å
55Q96.3Very high96.8Very high122 Ų12298.8 Ų98.857%0.5751%0.506SS*.Hα-helixtrans-66-31.5174.1-78.8172.96.200114.3N51 L53 Q59N51-Q55 WeakPolarHBondContact O-CB 3.28Å; N51-Q55 WeakPolarHBondContact O-CG 3.28Å; N51-Q55 PolarHBondContact O-N 3.19Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-Q59 VanDerWaalsContact O-CG 3.29Å; Q55-Q59 WeakPolarHBondContact O-CG 3.33Å; Q55-Q59 PolarHBondContact O-NE2 3.44Å
56K97.3Very high96.7Very high123 Ų123100.2 Ų100.254%0.53550%0.501SS..Hα-helixtrans-75.3-47.1172.1-69.6172.1175.4-173.80110.3R52 L53 V54 L58 Q59 V60R52-K56 WeakPolarHBondContact O-CG 3.28Å; R52-K56 PolarHBondContact O-N 2.83Å; L53-K56 WeakPolarHBondContact O-CA 3.48Å; L53-K56 WeakPolarHBondContact O-CB 3.32Å; L53-K56 PolarHBondContact O-N 3.31Å; V54-K56 PolarHBondContact O-N 2.97Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.34Å; K56-Q59 CarbonylContact O-C 3.58Å; K56-Q59 WeakPolarHBondContact O-CA 3.5Å; K56-Q59 WeakPolarHBondContact O-CB 3.42Å; K56-Q59 PolarHBondContact O-N 3.5Å; K56-V60 WeakPolarHBondContact O-CG2 3.47Å; K56-V60 PolarHBondContact O-N 3.45Å
57D97.4Very high96.6Very high81 Ų81103.3 Ų103.343%0.43351%0.511SS..Hα-helixtrans-62.2-39.6-175.7-53.7-20.9000110.4L53 V54 Q59 V60 A61L53-D57 WeakPolarHBondContact CG-OD2 3.34Å; L53-D57 PolarHBondContact O-N 3.02Å; V54-D57 PolarHBondContact O-N 2.81Å; D57-Q59 VanDerWaalsContact C-N 3.33Å; D57-Q59 PolarHBondContact O-N 2.67Å; D57-V60 PolarHBondContact O-N 3.08Å; D57-A61 VanDerWaalsContact O-CB 3.28Å; D57-A61 WeakPolarHBondContact O-CB 3.5Å; D57-A61 PolarHBondContact O-N 2.84Å
58L96.5Very high96.4Very high116 Ų116106 Ų10661%0.60752%0.521SS*.Hα-helixtrans-63.4-34.3172.1-173.6149.7000112.9V54 K56 K62V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 PolarHBondContact O-N 2.84Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.34Å; L58-K62 WeakPolarHBondContact O-CB 3.21Å; L58-K62 PolarHBondContact O-N 2.88Å
59Q95.4Very high96.3Very high124 Ų124105.9 Ų105.958%0.57952%0.517SS*.Hα-helixtrans-71.7-35.8173.6-72.2169.445.200112.4Q55 K56 D57 K63Q55-Q59 VanDerWaalsContact O-CG 3.29Å; Q55-Q59 WeakPolarHBondContact O-CG 3.33Å; Q55-Q59 PolarHBondContact O-NE2 3.44Å; K56-Q59 CarbonylContact O-C 3.58Å; K56-Q59 WeakPolarHBondContact O-CA 3.5Å; K56-Q59 WeakPolarHBondContact O-CB 3.42Å; K56-Q59 PolarHBondContact O-N 3.5Å; D57-Q59 VanDerWaalsContact C-N 3.33Å; D57-Q59 PolarHBondContact O-N 2.67Å; Q59-K63 WeakPolarHBondContact O-CG 3.18Å; Q59-K63 PolarHBondContact O-N 2.93Å
60V97.2Very high96.2Very high81 Ų81106.1 Ų106.149%0.49152%0.519SS..Hα-helixtrans-70.6-50.7176.11770000110.2K56 D57 K62 K63 L64K56-V60 WeakPolarHBondContact O-CG2 3.47Å; K56-V60 PolarHBondContact O-N 3.45Å; D57-V60 PolarHBondContact O-N 3.08Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 3.18Å; V60-K63 WeakPolarHBondContact O-CB 3.43Å; V60-K63 PolarHBondContact O-N 3.32Å; V60-L64 HydrophobicContact CG1-CD1 3.97Å; V60-L64 HydrophobicContact CG1-CG 4.39Å; V60-L64 WeakPolarHBondContact O-CG 3.46Å; V60-L64 PolarHBondContact O-N 3.44Å
61A96.3Very high96Very high56 Ų56105.4 Ų105.446%0.46352%0.519SS..Hα-helixtrans-57.2-40.7177.400000112D57 K63 L64 Q65D57-A61 VanDerWaalsContact O-CB 3.28Å; D57-A61 WeakPolarHBondContact O-CB 3.5Å; D57-A61 PolarHBondContact O-N 2.84Å; A61-K63 PolarHBondContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 3.38Å; A61-Q65 WeakPolarHBondContact O-CB 3.39Å; A61-Q65 PolarHBondContact O-N 2.91Å
62K97.6Very high95.8Very high103 Ų103103.2 Ų103.245%0.44852%0.515SS..Hα-helixtrans-64.4-37.7175.7-176173.8178.1-66.40112.9L58 V60 E66L58-K62 WeakPolarHBondContact O-CB 3.21Å; L58-K62 PolarHBondContact O-N 2.88Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 3.18Å; K62-E66 IonicContact NZ-OE1 3.64Å; K62-E66 PolarHBondContact NZ-OE1 3.44Å; K62-E66 IonicContact NZ-OE2 3.79Å; K62-E66 PolarHBondContact NZ-OE2 2.95Å; K62-E66 WeakPolarHBondContact O-CB 3.44Å; K62-E66 VanDerWaalsContact O-CG 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.24Å; K62-E66 PolarHBondContact O-N 3.27Å
63K96.9Very high95.7Very high125 Ų125100.4 Ų100.454%0.54351%0.507SS..Hα-helixtrans-68.3-47.5175.5-74.5175.6177.9-173.20112.1Q59 V60 A61 Q65 E66 E67Q59-K63 WeakPolarHBondContact O-CG 3.18Å; Q59-K63 PolarHBondContact O-N 2.93Å; V60-K63 WeakPolarHBondContact O-CB 3.43Å; V60-K63 PolarHBondContact O-N 3.32Å; A61-K63 PolarHBondContact O-N 3.16Å; K63-Q65 VanDerWaalsContact C-N 3.27Å; K63-Q65 PolarHBondContact O-N 3.34Å; K63-E66 CarbonylContact O-C 3.59Å; K63-E66 PolarHBondContact O-N 2.95Å; K63-E67 WeakPolarHBondContact O-CB 3.38Å; K63-E67 WeakPolarHBondContact O-CG 3.33Å; K63-E67 PolarHBondContact O-N 2.88Å
64L95.4Very high95.6Very high88 Ų88100.8 Ų100.846%0.46151%0.509SS..Hα-helixtrans-58.4-43.2176.6-67.9172.4000110.7V60 A61 E67 E68V60-L64 HydrophobicContact CG1-CD1 3.97Å; V60-L64 HydrophobicContact CG1-CG 4.39Å; V60-L64 WeakPolarHBondContact O-CG 3.46Å; V60-L64 PolarHBondContact O-N 3.44Å; A61-L64 PolarHBondContact O-N 3.38Å; L64-E67 PolarHBondContact O-N 3.15Å; L64-E68 WeakPolarHBondContact O-CB 3.47Å; L64-E68 WeakPolarHBondContact O-CG 3.22Å; L64-E68 PolarHBondContact O-N 2.91Å
65Q95.2Very high95.5Very high127 Ų127102 Ų10259%0.59351%0.509SS*.Hα-helixtrans-59.3-47.8172.4-173.6176.711.600111.3A61 K63 E67 E68 D69A61-Q65 WeakPolarHBondContact O-CB 3.39Å; A61-Q65 PolarHBondContact O-N 2.91Å; K63-Q65 VanDerWaalsContact C-N 3.27Å; K63-Q65 PolarHBondContact O-N 3.34Å; Q65-E67 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 2.87Å; Q65-E68 PolarHBondContact O-N 3.49Å; Q65-D69 VanDerWaalsContact O-CB 3.24Å; Q65-D69 WeakPolarHBondContact O-CB 3.41Å; Q65-D69 PolarHBondContact O-N 3.47Å
66E94.9Very high95.4Very high96 Ų9699.9 Ų99.945%0.44950%0.501SS..Hα-helixtrans-61.6-37.4178.2-75.317314700112.9K62 K63 E70K62-E66 IonicContact NZ-OE1 3.64Å; K62-E66 PolarHBondContact NZ-OE1 3.44Å; K62-E66 IonicContact NZ-OE2 3.79Å; K62-E66 PolarHBondContact NZ-OE2 2.95Å; K62-E66 WeakPolarHBondContact O-CB 3.44Å; K62-E66 VanDerWaalsContact O-CG 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.24Å; K62-E66 PolarHBondContact O-N 3.27Å; K63-E66 CarbonylContact O-C 3.59Å; K63-E66 PolarHBondContact O-N 2.95Å; E66-E70 WeakPolarHBondContact O-CG 3.44Å; E66-E70 PolarHBondContact O-N 3.14Å
67E94.5Very high95.2Very high109 Ų109100.3 Ų100.351%0.50951%0.505SS..Hα-helixtrans-68.8-45.4176.2-71.3164.6-156.500112.1K63 L64 Q65 E70 I71K63-E67 WeakPolarHBondContact O-CB 3.38Å; K63-E67 WeakPolarHBondContact O-CG 3.33Å; K63-E67 PolarHBondContact O-N 2.88Å; L64-E67 PolarHBondContact O-N 3.15Å; Q65-E67 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 2.87Å; E67-E70 PolarHBondContact O-N 3.48Å; E67-I71 WeakPolarHBondContact O-CG1 3.43Å; E67-I71 PolarHBondContact O-N 3.4Å
68E92.5Very high95.1Very high135 Ų135102.7 Ų102.763%0.63151%0.511SS*.Hα-helixtrans-61.6-42.9173.3-74175.4177.200111.6L64 Q65 E70 I71 A72L64-E68 WeakPolarHBondContact O-CB 3.47Å; L64-E68 WeakPolarHBondContact O-CG 3.22Å; L64-E68 PolarHBondContact O-N 2.91Å; Q65-E68 PolarHBondContact O-N 3.49Å; E68-E70 VanDerWaalsContact C-N 3.29Å; E68-E70 PolarHBondContact O-N 2.86Å; E68-I71 PolarHBondContact O-N 2.93Å; E68-A72 WeakPolarHBondContact O-CB 3.43Å; E68-A72 PolarHBondContact O-N 3.43Å
69D94.9Very high95Very high82 Ų82102.6 Ų102.644%0.43951%0.508SS..Hα-helixtrans-62.8-34.2177.4-132.143.2000111.7Q65 K73Q65-D69 VanDerWaalsContact O-CB 3.24Å; Q65-D69 WeakPolarHBondContact O-CB 3.41Å; Q65-D69 PolarHBondContact O-N 3.47Å; D69-K73 VanDerWaalsContact CB-NZ 3.31Å; D69-K73 VanDerWaalsContact CG-NZ 3.33Å; D69-K73 WeakPolarHBondContact O-CD 3.41Å; D69-K73 WeakPolarHBondContact O-CE 3.48Å; D69-K73 WeakPolarHBondContact O-CG 3.17Å; D69-K73 PolarHBondContact O-N 2.99Å; D69-K73 VanDerWaalsContact O-N 3.14Å; D69-K73 PolarHBondContact O-NZ 2.86Å; D69-K73 WeakPolarHBondContact OD2-CE 3.35Å; D69-K73 IonicContact OD2-NZ 2.81Å; D69-K73 PolarHBondContact OD2-NZ 2.87Å
70E94.8Very high94.9Very high127 Ų12799.7 Ų99.759%0.59350%0.496SS*.Hα-helixtrans-73-42173.4-77.6-168.9177.500112.5E66 E67 E68 A72 K73 I74E66-E70 WeakPolarHBondContact O-CG 3.44Å; E66-E70 PolarHBondContact O-N 3.14Å; E67-E70 PolarHBondContact O-N 3.48Å; E68-E70 VanDerWaalsContact C-N 3.29Å; E68-E70 PolarHBondContact O-N 2.86Å; E70-A72 VanDerWaalsContact C-N 3.34Å; E70-A72 PolarHBondContact O-N 2.94Å; E70-K73 PolarHBondContact O-N 3.44Å; E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 3.43Å
71I93.9Very high94.8Very high96 Ų9697.6 Ų97.649%0.49249%0.485SS..Hα-helixtrans-60.3-45.1174.3-67.4165.4000110.4E67 E68 K73 I74 Q75E67-I71 WeakPolarHBondContact O-CG1 3.43Å; E67-I71 PolarHBondContact O-N 3.4Å; E68-I71 PolarHBondContact O-N 2.93Å; I71-K73 PolarHBondContact O-N 3.03Å; I71-I74 PolarHBondContact O-N 3.46Å; I71-Q75 WeakPolarHBondContact O-CG 3.29Å; I71-Q75 PolarHBondContact O-N 3.15Å
72A93.4Very high94.7Very high53 Ų5398.7 Ų98.744%0.43848%0.483SS..Hα-helixtrans-61.4-42176.600000112.3E68 E70 I74 Q75 N76E68-A72 WeakPolarHBondContact O-CB 3.43Å; E68-A72 PolarHBondContact O-N 3.43Å; E70-A72 VanDerWaalsContact C-N 3.34Å; E70-A72 PolarHBondContact O-N 2.94Å; A72-I74 PolarHBondContact O-N 2.91Å; A72-Q75 PolarHBondContact O-N 3.16Å; A72-N76 WeakPolarHBondContact O-CB 3.47Å; A72-N76 PolarHBondContact O-N 3.04Å
73K95.7Very high94.5Very high98 Ų9897.7 Ų97.743%0.42648%0.482SS..Hα-helixtrans-61.7-41.1173.9-72.2156.4-156.6144.20111.9D69 E70 I71 Q77D69-K73 VanDerWaalsContact CB-NZ 3.31Å; D69-K73 VanDerWaalsContact CG-NZ 3.33Å; D69-K73 WeakPolarHBondContact O-CD 3.41Å; D69-K73 WeakPolarHBondContact O-CE 3.48Å; D69-K73 WeakPolarHBondContact O-CG 3.17Å; D69-K73 PolarHBondContact O-N 2.99Å; D69-K73 VanDerWaalsContact O-N 3.14Å; D69-K73 PolarHBondContact O-NZ 2.86Å; D69-K73 WeakPolarHBondContact OD2-CE 3.35Å; D69-K73 IonicContact OD2-NZ 2.81Å; D69-K73 PolarHBondContact OD2-NZ 2.87Å; E70-K73 PolarHBondContact O-N 3.44Å; I71-K73 PolarHBondContact O-N 3.03Å; K73-Q77 WeakPolarHBondContact O-CB 3.28Å; K73-Q77 VanDerWaalsContact O-CG 3.23Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.98Å
74I94.8Very high94.4Very high88 Ų8898 Ų9845%0.45149%0.485SS..Hα-helixtrans-67.1-40.4177.8-68.4163.8000111.1E70 I71 A72 K78E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 3.43Å; I71-I74 PolarHBondContact O-N 3.46Å; A72-I74 PolarHBondContact O-N 2.91Å; I74-K78 WeakPolarHBondContact O-CG 3.23Å; I74-K78 PolarHBondContact O-N 3.49Å; I74-K78 VanDerWaalsContact O-N 3.15Å
75Q93.8Very high94.4Very high113 Ų113101.7 Ų101.753%0.52849%0.493SS..Hα-helixtrans-65.4-46.7175.6-70.2-17915.700111.6I71 A72 Q77 K78 Q79I71-Q75 WeakPolarHBondContact O-CG 3.29Å; I71-Q75 PolarHBondContact O-N 3.15Å; A72-Q75 PolarHBondContact O-N 3.16Å; Q75-Q77 VanDerWaalsContact C-N 3.34Å; Q75-Q77 PolarHBondContact O-N 2.97Å; Q75-K78 WeakPolarHBondContact O-CB 3.23Å; Q75-K78 PolarHBondContact O-N 3.32Å; Q75-K78 VanDerWaalsContact O-N 3.17Å; Q75-Q79 PolarHBondContact O-N 2.95Å
76N94.4Very high94.4Very high77 Ų77101.1 Ų101.141%0.41249%0.491SS..Hα-helixtrans-65.6-35.3177.3-177-110.1000112.5A72 K78 Q79 N80A72-N76 WeakPolarHBondContact O-CB 3.47Å; A72-N76 PolarHBondContact O-N 3.04Å; N76-K78 VanDerWaalsContact C-N 3.32Å; N76-K78 PolarHBondContact O-N 3.35Å; N76-Q79 PolarHBondContact O-N 2.67Å; N76-N80 PolarHBondContact ND2-OD1 2.83Å; N76-N80 WeakPolarHBondContact O-CB 3.49Å; N76-N80 PolarHBondContact O-N 2.93Å; N76-N80 PolarHBondContact O-ND2 2.91Å; N76-N80 PolarHBondContact O-OD1 3.5Å; N76-N80 PolarHBondContact OD1-ND2 2.74Å
77Q94.8Very high94.5Very high132 Ų132101.1 Ų101.162%0.61749%0.494SS*.Hα-helixtrans-63-35.8172.6-78.6173.518.600112.9K73 Q75 S81K73-Q77 WeakPolarHBondContact O-CB 3.28Å; K73-Q77 VanDerWaalsContact O-CG 3.23Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.98Å; Q75-Q77 VanDerWaalsContact C-N 3.34Å; Q75-Q77 PolarHBondContact O-N 2.97Å; Q77-S81 WeakPolarHBondContact O-CB 3.43Å; Q77-S81 PolarHBondContact O-N 2.93Å
78K94.8Very high94.6Very high131 Ų13199.8 Ų99.857%0.5749%0.493SS*.Hα-helixtrans-66.7-50.8172.7-70.3172.5-179.3-1780111I74 Q75 N76 N80 S81 D82I74-K78 WeakPolarHBondContact O-CG 3.23Å; I74-K78 PolarHBondContact O-N 3.49Å; I74-K78 VanDerWaalsContact O-N 3.15Å; Q75-K78 WeakPolarHBondContact O-CB 3.23Å; Q75-K78 PolarHBondContact O-N 3.32Å; Q75-K78 VanDerWaalsContact O-N 3.17Å; N76-K78 VanDerWaalsContact C-N 3.32Å; N76-K78 PolarHBondContact O-N 3.35Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 2.8Å; K78-S81 WeakPolarHBondContact O-CA 3.25Å; K78-S81 VanDerWaalsContact O-CB 3.23Å; K78-S81 WeakPolarHBondContact O-CB 3.34Å; K78-S81 PolarHBondContact O-N 3.28Å; K78-D82 PolarHBondContact O-N 3.12Å
79Q93.9Very high94.8Very high114 Ų114100 Ų10053%0.53349%0.493SS..Hα-helixtrans-55.2-44.4176.5-70.6172.1-29.500111.9Q75 N76 D82 I83Q75-Q79 PolarHBondContact O-N 2.95Å; N76-Q79 PolarHBondContact O-N 2.67Å; Q79-D82 PolarHBondContact O-N 3.34Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.45Å; Q79-I83 PolarHBondContact O-N 3.04Å
80N93.9Very high94.8Very high63 Ų63100.2 Ų100.234%0.33749%0.494SS..Hα-helixtrans-66.2-38.9176.1-60.7-13.6000111.7N76 K78 D82 I83 E84N76-N80 PolarHBondContact ND2-OD1 2.83Å; N76-N80 WeakPolarHBondContact O-CB 3.49Å; N76-N80 PolarHBondContact O-N 2.93Å; N76-N80 PolarHBondContact O-ND2 2.91Å; N76-N80 PolarHBondContact O-OD1 3.5Å; N76-N80 PolarHBondContact OD1-ND2 2.74Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 2.8Å; N80-D82 PolarHBondContact O-N 3.32Å; N80-I83 PolarHBondContact O-N 3.46Å; N80-E84 VanDerWaalsContact O-CB 3.27Å; N80-E84 WeakPolarHBondContact O-CB 3.43Å; N80-E84 VanDerWaalsContact O-CG 3.23Å; N80-E84 WeakPolarHBondContact O-CG 3.45Å; N80-E84 PolarHBondContact O-N 3.44Å
81S94.9Very high94.9Very high36 Ų3697 Ų9725%0.25249%0.489SS..Hα-helixtrans-55.2-40.8170.2140.40000112Q77 K78 R85Q77-S81 WeakPolarHBondContact O-CB 3.43Å; Q77-S81 PolarHBondContact O-N 2.93Å; K78-S81 WeakPolarHBondContact O-CA 3.25Å; K78-S81 VanDerWaalsContact O-CB 3.23Å; K78-S81 WeakPolarHBondContact O-CB 3.34Å; K78-S81 PolarHBondContact O-N 3.28Å; S81-R85 WeakPolarHBondContact O-CD 3.14Å; S81-R85 VanDerWaalsContact O-CG 3.24Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.97Å; S81-R85 VanDerWaalsContact O-N 3.14Å; S81-R85 PolarHBondContact O-NE 3.3Å; S81-R85 PolarHBondContact OG-NE 2.83Å; S81-R85 PolarHBondContact OG-NH2 3Å
82D94.1Very high95Very high79 Ų7998.1 Ų98.142%0.42249%0.492SS..Hα-helixtrans-82.7-31.8-170.8-57.4-17.4000110.8K78 Q79 N80 R85 Q86K78-D82 PolarHBondContact O-N 3.12Å; Q79-D82 PolarHBondContact O-N 3.34Å; N80-D82 PolarHBondContact O-N 3.32Å; D82-R85 IonicContact OD1-NE 2.76Å; D82-Q86 WeakPolarHBondContact O-CG 3.46Å; D82-Q86 PolarHBondContact O-N 2.63Å
83I93.8Very high95.1Very high83 Ų83101.1 Ų101.143%0.42650%0.497SS..Hα-helixtrans-66.4-47.4165.6-65.8162.6000110.8Q79 N80 R85 Q86 D87Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.45Å; Q79-I83 PolarHBondContact O-N 3.04Å; N80-I83 PolarHBondContact O-N 3.46Å; I83-R85 PolarHBondContact O-N 3.09Å; I83-R85 VanDerWaalsContact O-N 3.16Å; I83-Q86 PolarHBondContact O-N 2.65Å; I83-D87 PolarHBondContact O-N 2.8Å
84E94.2Very high95.2Very high131 Ų131100.8 Ų100.861%0.61250%0.499SS*.Hα-helixtrans-57.7-31.3177.9-79.6173.2-162.500112.3N80 V88N80-E84 VanDerWaalsContact O-CB 3.27Å; N80-E84 WeakPolarHBondContact O-CB 3.43Å; N80-E84 VanDerWaalsContact O-CG 3.23Å; N80-E84 WeakPolarHBondContact O-CG 3.45Å; N80-E84 PolarHBondContact O-N 3.44Å; E84-V88 WeakPolarHBondContact O-CB 3.44Å; E84-V88 WeakPolarHBondContact O-CG2 3.43Å; E84-V88 PolarHBondContact O-N 3.2Å
85R95.3Very high95.1Very high165 Ų165102.1 Ų102.162%0.62350%0.503SS*.Hα-helixtrans-69.4-47171.8-68.5161.7-159.5-115.65.3112.2S81 D82 I83 V88 E89S81-R85 WeakPolarHBondContact O-CD 3.14Å; S81-R85 VanDerWaalsContact O-CG 3.24Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.97Å; S81-R85 VanDerWaalsContact O-N 3.14Å; S81-R85 PolarHBondContact O-NE 3.3Å; S81-R85 PolarHBondContact OG-NE 2.83Å; S81-R85 PolarHBondContact OG-NH2 3Å; D82-R85 IonicContact OD1-NE 2.76Å; I83-R85 PolarHBondContact O-N 3.09Å; I83-R85 VanDerWaalsContact O-N 3.16Å; R85-V88 PolarHBondContact O-N 3.4Å; R85-E89 PolarHBondContact O-N 3.07Å
86Q95.6Very high95.3Very high116 Ų116102.1 Ų102.154%0.54250%0.503SS..Hα-helixtrans-64.2-43.2179.2-71.1173.7-4.100111.2D82 I83 V88 E89 I90D82-Q86 WeakPolarHBondContact O-CG 3.46Å; D82-Q86 PolarHBondContact O-N 2.63Å; I83-Q86 PolarHBondContact O-N 2.65Å; Q86-V88 VanDerWaalsContact C-N 3.27Å; Q86-V88 PolarHBondContact O-N 2.64Å; Q86-E89 PolarHBondContact O-N 3.45Å; Q86-I90 WeakPolarHBondContact O-CB 3.37Å; Q86-I90 WeakPolarHBondContact O-CD1 3.46Å; Q86-I90 VanDerWaalsContact O-CG1 3.25Å; Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 2.97Å
87D96.3Very high95.3Very high96 Ų96102.8 Ų102.851%0.51350%0.504SS..Hα-helixtrans-59.5-38174.4-74.9-14.7000111.7I83 A91I83-D87 PolarHBondContact O-N 2.8Å; D87-A91 WeakPolarHBondContact O-CB 3.48Å; D87-A91 PolarHBondContact O-N 3.48Å
88V96.8Very high95.3Very high81 Ų81101 Ų10149%0.49150%0.498SS..Hα-helixtrans-71.6-36.4176164.70000112.5E84 R85 Q86 Q92E84-V88 WeakPolarHBondContact O-CB 3.44Å; E84-V88 WeakPolarHBondContact O-CG2 3.43Å; E84-V88 PolarHBondContact O-N 3.2Å; R85-V88 PolarHBondContact O-N 3.4Å; Q86-V88 VanDerWaalsContact C-N 3.27Å; Q86-V88 PolarHBondContact O-N 2.64Å; V88-Q92 VanDerWaalsContact O-CG 3.31Å; V88-Q92 WeakPolarHBondContact O-CG 3.41Å; V88-Q92 PolarHBondContact O-N 3.15Å; V88-Q92 VanDerWaalsContact O-N 3.09Å; V88-Q92 PolarHBondContact O-NE2 2.89Å
89E96.3Very high95.4Very high138 Ų13898.1 Ų98.165%0.64549%0.491SS*.Hα-helixtrans-67-48.9174.8-173.9169.7-166.300110.9R85 Q86 A91 Q92 E93R85-E89 PolarHBondContact O-N 3.07Å; Q86-E89 PolarHBondContact O-N 3.45Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-A91 PolarHBondContact O-N 3.32Å; E89-Q92 WeakPolarHBondContact O-CB 3.36Å; E89-Q92 PolarHBondContact O-N 3.35Å; E89-Q92 VanDerWaalsContact O-N 3.12Å; E89-E93 PolarHBondContact O-N 3.33Å
90I96.8Very high95.5Very high87 Ų8797.7 Ų97.745%0.44649%0.485SS..Hα-helixtrans-61.1-41.6175.6-67.1164000111.1Q86 Q92 E93 I94Q86-I90 WeakPolarHBondContact O-CB 3.37Å; Q86-I90 WeakPolarHBondContact O-CD1 3.46Å; Q86-I90 VanDerWaalsContact O-CG1 3.25Å; Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 2.97Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.29Å; I90-E93 PolarHBondContact O-N 3.28Å; I90-I94 HydrophobicContact CG2-CD1 3.74Å; I90-I94 HydrophobicContact CG2-CG1 4.43Å; I90-I94 WeakPolarHBondContact O-CB 3.18Å; I90-I94 VanDerWaalsContact O-CG1 3.3Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.43Å
91A96.3Very high95.5Very high59 Ų5999.3 Ų99.349%0.48849%0.49SS..Hα-helixtrans-64.8-33.4176.100000112.7D87 E89 Q95D87-A91 WeakPolarHBondContact O-CB 3.48Å; D87-A91 PolarHBondContact O-N 3.48Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-A91 PolarHBondContact O-N 3.32Å; A91-Q95 WeakPolarHBondContact O-CB 3.47Å; A91-Q95 PolarHBondContact O-N 3.32Å; A91-Q95 VanDerWaalsContact O-N 3.08Å
92Q95.6Very high95.5Very high121 Ų12199.8 Ų99.857%0.56550%0.497SS*.Hα-helixtrans-71-44.2173.3-75.5172.350.200111.6V88 E89 I90 I94 Q95 E96V88-Q92 VanDerWaalsContact O-CG 3.31Å; V88-Q92 WeakPolarHBondContact O-CG 3.41Å; V88-Q92 PolarHBondContact O-N 3.15Å; V88-Q92 VanDerWaalsContact O-N 3.09Å; V88-Q92 PolarHBondContact O-NE2 2.89Å; E89-Q92 WeakPolarHBondContact O-CB 3.36Å; E89-Q92 PolarHBondContact O-N 3.35Å; E89-Q92 VanDerWaalsContact O-N 3.12Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.29Å; Q92-I94 PolarHBondContact O-N 3.36Å; Q92-Q95 PolarHBondContact O-N 3.49Å; Q92-E96 PolarHBondContact O-N 3.46Å
93E96.6Very high95.5Very high115 Ų115101 Ų10154%0.53750%0.499SS..Hα-helixtrans-58.8-49.3176.4-176.8171.9-144.900111.7E89 I90 Q95 E96 E97E89-E93 PolarHBondContact O-N 3.33Å; I90-E93 PolarHBondContact O-N 3.28Å; E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 3.13Å; E93-E96 PolarHBondContact O-N 2.88Å; E93-E97 VanDerWaalsContact O-CG 3.32Å; E93-E97 WeakPolarHBondContact O-CG 3.32Å; E93-E97 PolarHBondContact O-N 3.14Å
94I96.5Very high95.6Very high92 Ų92102.5 Ų102.547%0.47251%0.505SS..Hα-helixtrans-60.7-40.4176.3-66.9168.2000111.1I90 Q92 E97 L98I90-I94 HydrophobicContact CG2-CD1 3.74Å; I90-I94 HydrophobicContact CG2-CG1 4.43Å; I90-I94 WeakPolarHBondContact O-CB 3.18Å; I90-I94 VanDerWaalsContact O-CG1 3.3Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.43Å; Q92-I94 PolarHBondContact O-N 3.36Å; I94-E97 PolarHBondContact O-N 3.07Å; I94-L98 HydrophobicContact CG2-CD1 4.21Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.3Å
95Q93.8Very high95.6Very high116 Ų116101.8 Ų101.854%0.54250%0.501SS..Hα-helixtrans-66.4-36.5177.8-178.657.172.100112.1A91 Q92 E93 V99A91-Q95 WeakPolarHBondContact O-CB 3.47Å; A91-Q95 PolarHBondContact O-N 3.32Å; A91-Q95 VanDerWaalsContact O-N 3.08Å; Q92-Q95 PolarHBondContact O-N 3.49Å; E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 3.13Å; Q95-V99 WeakPolarHBondContact O-CG2 3.38Å; Q95-V99 PolarHBondContact O-N 2.86Å
96E96Very high95.4Very high112 Ų112101.3 Ų101.352%0.52350%0.5SS..Hα-helixtrans-67.6-44.2170.7-75.8-165.1-169.200112.1Q92 E93 L98 V99 R100Q92-E96 PolarHBondContact O-N 3.46Å; E93-E96 PolarHBondContact O-N 2.88Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.19Å; E96-V99 CarbonylContact O-C 3.58Å; E96-V99 PolarHBondContact O-N 3.5Å; E96-V99 VanDerWaalsContact O-N 3.08Å; E96-R100 VanDerWaalsContact O-CG 3.32Å; E96-R100 WeakPolarHBondContact O-CG 3.34Å; E96-R100 PolarHBondContact O-N 2.83Å; E96-R100 IonicContact OE2-CZ 3.4Å; E96-R100 IonicContact OE2-NE 3.42Å; E96-R100 IonicContact OE2-NH2 2.85Å; E96-R100 PolarHBondContact OE2-NH2 3.34Å
97E95.6Very high95.3Very high92 Ų92100.7 Ų100.743%0.4350%0.497SS..Hα-helixtrans-57.1-44.5178-67.6-134.7119.300111.8E93 I94 V99 R100 Q101E93-E97 VanDerWaalsContact O-CG 3.32Å; E93-E97 WeakPolarHBondContact O-CG 3.32Å; E93-E97 PolarHBondContact O-N 3.14Å; I94-E97 PolarHBondContact O-N 3.07Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-R100 IonicContact OE1-NH1 2.64Å; E97-Q101 WeakPolarHBondContact O-CB 3.28Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.48Å; E97-Q101 PolarHBondContact O-N 3.47Å
98L94.6Very high95.1Very high94 Ų94101.6 Ų101.649%0.49250%0.498SS..Hα-helixtrans-62.3-38175.8-70.4171.4000112.2I94 E96 A102I94-L98 HydrophobicContact CG2-CD1 4.21Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.3Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.19Å; L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.96Å
99V96.6Very high95Very high70 Ų70103.8 Ų103.842%0.42450%0.503SS..Hα-helixtrans-67.3-46.8174.1170.20000111Q95 E96 E97 Q101 A102 E103Q95-V99 WeakPolarHBondContact O-CG2 3.38Å; Q95-V99 PolarHBondContact O-N 2.86Å; E96-V99 CarbonylContact O-C 3.58Å; E96-V99 PolarHBondContact O-N 3.5Å; E96-V99 VanDerWaalsContact O-N 3.08Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.09Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 3.42Å; V99-A102 PolarHBondContact O-N 3.48Å; V99-A102 VanDerWaalsContact O-N 3.15Å; V99-E103 HydrophobicContact CG1-CG 4.44Å; V99-E103 WeakPolarHBondContact O-CG 3.44Å; V99-E103 PolarHBondContact O-N 2.8Å
100R95.5Very high94.9Very high105 Ų105103.4 Ų103.440%0.39650%0.501SS..Hα-helixtrans-58.8-40.7176.8-65.5175.4-143.31450111.4E96 E97 E103 Q104E96-R100 VanDerWaalsContact O-CG 3.32Å; E96-R100 WeakPolarHBondContact O-CG 3.34Å; E96-R100 PolarHBondContact O-N 2.83Å; E96-R100 IonicContact OE2-CZ 3.4Å; E96-R100 IonicContact OE2-NE 3.42Å; E96-R100 IonicContact OE2-NH2 2.85Å; E96-R100 PolarHBondContact OE2-NH2 3.34Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-R100 IonicContact OE1-NH1 2.64Å; R100-E103 PolarHBondContact O-N 3Å; R100-Q104 VanDerWaalsContact O-CG 3.3Å; R100-Q104 WeakPolarHBondContact O-CG 3.45Å; R100-Q104 PolarHBondContact O-N 3.4Å
101Q94.9Very high94.8Very high98 Ų98105 Ų10546%0.45851%0.505SS..Hα-helixtrans-66-43.7175-71.8176.631.700112E97 V99 E103 Q104 Q105E97-Q101 WeakPolarHBondContact O-CB 3.28Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.48Å; E97-Q101 PolarHBondContact O-N 3.47Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 3.42Å; Q101-E103 PolarHBondContact O-N 3.06Å; Q101-Q104 PolarHBondContact O-N 3.33Å; Q101-Q105 WeakPolarHBondContact O-CG 3.39Å; Q101-Q105 PolarHBondContact O-N 2.8Å
102A94.1Very high94.8Very high46 Ų46107.2 Ų107.238%0.3851%0.508SS..Hα-helixtrans-64.3-37.4175.800000112.4L98 V99 Q105 R106L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.96Å; V99-A102 PolarHBondContact O-N 3.48Å; V99-A102 VanDerWaalsContact O-N 3.15Å; A102-Q105 PolarHBondContact O-N 3.42Å; A102-R106 WeakPolarHBondContact O-CG 3.41Å; A102-R106 PolarHBondContact O-N 2.91Å
103E95.4Very high94.7Very high103 Ų103103.7 Ų103.748%0.48150%0.5SS..Hα-helixtrans-65.6-40.9173-73.6-170.2158.600112.3V99 R100 Q101 Q105 R106 Q107V99-E103 HydrophobicContact CG1-CG 4.44Å; V99-E103 WeakPolarHBondContact O-CG 3.44Å; V99-E103 PolarHBondContact O-N 2.8Å; R100-E103 PolarHBondContact O-N 3Å; Q101-E103 PolarHBondContact O-N 3.06Å; E103-Q105 VanDerWaalsContact C-N 3.35Å; E103-Q105 PolarHBondContact O-N 3.33Å; E103-R106 PolarHBondContact O-N 2.93Å; E103-Q107 WeakPolarHBondContact O-CB 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.12Å; E103-Q107 PolarHBondContact O-N 3.43Å
104Q95.1Very high94.6Very high115 Ų115100 Ų10054%0.53749%0.489SS..Hα-helixtrans-62.4-41.1174.1-73.2174.125.700111.9R100 Q101 Q107 Q108R100-Q104 VanDerWaalsContact O-CG 3.3Å; R100-Q104 WeakPolarHBondContact O-CG 3.45Å; R100-Q104 PolarHBondContact O-N 3.4Å; Q101-Q104 PolarHBondContact O-N 3.33Å; Q104-Q107 PolarHBondContact O-N 2.9Å; Q104-Q108 WeakPolarHBondContact O-CG 3.45Å; Q104-Q108 PolarHBondContact O-N 2.85Å; Q104-Q108 VanDerWaalsContact O-N 3.09Å
105Q93.3Very high94.5Very high116 Ų116100.8 Ų100.854%0.54249%0.493SS..Hα-helixtrans-61.9-49.8173.3-72.1174.75.600111.1Q101 A102 E103 Q107 Q108 E109Q101-Q105 WeakPolarHBondContact O-CG 3.39Å; Q101-Q105 PolarHBondContact O-N 2.8Å; A102-Q105 PolarHBondContact O-N 3.42Å; E103-Q105 VanDerWaalsContact C-N 3.35Å; E103-Q105 PolarHBondContact O-N 3.33Å; Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.47Å; Q105-Q108 WeakPolarHBondContact O-CA 3.37Å; Q105-Q108 WeakPolarHBondContact O-CB 3.38Å; Q105-Q108 PolarHBondContact O-N 2.95Å; Q105-E109 WeakPolarHBondContact O-CG 3.21Å; Q105-E109 PolarHBondContact O-N 3.12Å
106R92.9Very high94.4Very high156 Ų15698 Ų9859%0.58949%0.49SS*.Hα-helixtrans-59.1-35.5176-74.6-171.964.7-112.2-14.9113.2A102 E103 Q108 E110A102-R106 WeakPolarHBondContact O-CG 3.41Å; A102-R106 PolarHBondContact O-N 2.91Å; E103-R106 PolarHBondContact O-N 2.93Å; R106-Q108 VanDerWaalsContact C-N 3.31Å; R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 2.91Å
107Q93.5Very high94.2Very high102 Ų102101.1 Ų101.148%0.47750%0.497SS..Hα-helixtrans-70.2-24.4173.4-74.9-177.231.900113.5E103 Q104 Q105 K111E103-Q107 WeakPolarHBondContact O-CB 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.12Å; E103-Q107 PolarHBondContact O-N 3.43Å; Q104-Q107 PolarHBondContact O-N 2.9Å; Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.47Å; Q107-K111 WeakPolarHBondContact O-CD 3.3Å; Q107-K111 WeakPolarHBondContact O-CE 3.35Å; Q107-K111 WeakPolarHBondContact O-CG 3.35Å; Q107-K111 PolarHBondContact O-N 3.3Å; Q107-K111 PolarHBondContact O-NZ 3.31Å
108Q92.2Very high94.1Very high116 Ų116103.6 Ų103.654%0.54251%0.506SS..Hα-helixtrans-77.5-48.8171.2-68.8171.417.500109.8Q104 Q105 R106 E110 K111 D112Q104-Q108 WeakPolarHBondContact O-CG 3.45Å; Q104-Q108 PolarHBondContact O-N 2.85Å; Q104-Q108 VanDerWaalsContact O-N 3.09Å; Q105-Q108 WeakPolarHBondContact O-CA 3.37Å; Q105-Q108 WeakPolarHBondContact O-CB 3.38Å; Q105-Q108 PolarHBondContact O-N 2.95Å; R106-Q108 VanDerWaalsContact C-N 3.31Å; Q108-E110 VanDerWaalsContact C-N 3.27Å; Q108-E110 PolarHBondContact O-N 3.14Å; Q108-K111 WeakPolarHBondContact O-CB 3.42Å; Q108-K111 PolarHBondContact O-N 3.29Å; Q108-D112 PolarHBondContact O-N 2.86Å
109E93.1Very high94Very high126 Ų126104.6 Ų104.659%0.58951%0.511SS*.Hα-helixtrans-54-41.1173.6-67.7177.2163.600112.4Q105 D112 A113Q105-E109 WeakPolarHBondContact O-CG 3.21Å; Q105-E109 PolarHBondContact O-N 3.12Å; E109-D112 PolarHBondContact O-N 3.33Å; E109-A113 WeakPolarHBondContact O-CB 3.42Å; E109-A113 PolarHBondContact O-N 2.9Å
110E94.1Very high93.7Very high131 Ų131108.3 Ų108.361%0.61252%0.519SS*.Hα-helixtrans-68.3-37.6177.4-174.9171.6-175.400112.6R106 Q108 A114R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 2.91Å; Q108-E110 VanDerWaalsContact C-N 3.27Å; Q108-E110 PolarHBondContact O-N 3.14Å; E110-A114 VanDerWaalsContact O-CB 3.26Å; E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 3.39Å
111K96.3Very high93.5Very high121 Ų121108.5 Ų108.553%0.52653%0.525SS..Hα-helixtrans-64.9-44.9174.8-72160.7-164.4153.50110.6Q107 Q108 A114 I115Q107-K111 WeakPolarHBondContact O-CD 3.3Å; Q107-K111 WeakPolarHBondContact O-CE 3.35Å; Q107-K111 WeakPolarHBondContact O-CG 3.35Å; Q107-K111 PolarHBondContact O-N 3.3Å; Q107-K111 PolarHBondContact O-NZ 3.31Å; Q108-K111 WeakPolarHBondContact O-CB 3.42Å; Q108-K111 PolarHBondContact O-N 3.29Å; K111-A114 PolarHBondContact O-N 3.2Å; K111-I115 WeakPolarHBondContact O-CG1 3.36Å; K111-I115 PolarHBondContact O-N 3.49Å
112D95.4Very high93.3Very high105 Ų105110.6 Ų110.656%0.56153%0.532SS*.Hα-helixtrans-69.1-39.3178.6-71.3-13.1000111.7Q108 E109 A114 I115 A116Q108-D112 PolarHBondContact O-N 2.86Å; E109-D112 PolarHBondContact O-N 3.33Å; D112-A114 VanDerWaalsContact C-N 3.33Å; D112-A114 PolarHBondContact O-N 2.96Å; D112-I115 WeakPolarHBondContact O-CB 3.29Å; D112-I115 PolarHBondContact O-N 2.8Å; D112-A116 WeakPolarHBondContact O-CB 3.33Å; D112-A116 PolarHBondContact O-N 2.94Å
113A94Very high93Very high46 Ų46114 Ų11438%0.3854%0.54SS..Hα-helixtrans-63.9-36.4172.100000112.3E109 A116 R117E109-A113 WeakPolarHBondContact O-CB 3.42Å; E109-A113 PolarHBondContact O-N 2.9Å; A113-A116 PolarHBondContact O-N 2.91Å; A113-R117 WeakPolarHBondContact O-CB 3.1Å; A113-R117 WeakPolarHBondContact O-CG 3.47Å; A113-R117 PolarHBondContact O-N 2.94Å
114A94Very high92.7Very high39 Ų39112.9 Ų112.932%0.32254%0.536SS..Hα-helixtrans-69.1-33.817400000112.4E110 K111 D112 K118E110-A114 VanDerWaalsContact O-CB 3.26Å; E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 3.39Å; K111-A114 PolarHBondContact O-N 3.2Å; D112-A114 VanDerWaalsContact C-N 3.33Å; D112-A114 PolarHBondContact O-N 2.96Å; A114-K118 VanDerWaalsContact O-CG 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.35Å; A114-K118 PolarHBondContact O-N 3.48Å
115I93.5Very high92Very high107 Ų107112.2 Ų112.255%0.54953%0.534SS..Hα-helixtrans-66.5-46.4170.4-68.6164000110.1K111 D112 R117 K118 L119K111-I115 WeakPolarHBondContact O-CG1 3.36Å; K111-I115 PolarHBondContact O-N 3.49Å; D112-I115 WeakPolarHBondContact O-CB 3.29Å; D112-I115 PolarHBondContact O-N 2.8Å; I115-R117 PolarHBondContact O-N 2.94Å; I115-K118 PolarHBondContact O-N 3.23Å; I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 PolarHBondContact O-N 3.06Å
116A93.4Very high91.6Very high58 Ų58112.7 Ų112.748%0.47953%0.534SS..Hα-helixtrans-60.8-43.5178.100000112.4D112 A113 L119 Y120D112-A116 WeakPolarHBondContact O-CB 3.33Å; D112-A116 PolarHBondContact O-N 2.94Å; A113-A116 PolarHBondContact O-N 2.91Å; A116-L119 PolarHBondContact O-N 3.26Å; A116-Y120 WeakPolarHBondContact O-CB 3.45Å; A116-Y120 PolarHBondContact O-N 3.43Å
117R91.8Very high91.2Very high177 Ų177108.9 Ų108.967%0.66852%0.523SS*.Hα-helixtrans-59.1-50.2173.8-75.6178.8-175.3-165.93.8112A113 I115 L119 Y120 E121A113-R117 WeakPolarHBondContact O-CB 3.1Å; A113-R117 WeakPolarHBondContact O-CG 3.47Å; A113-R117 PolarHBondContact O-N 2.94Å; I115-R117 PolarHBondContact O-N 2.94Å; R117-L119 VanDerWaalsContact C-N 3.25Å; R117-L119 PolarHBondContact O-N 3.41Å; R117-Y120 PolarHBondContact O-N 3.49Å; R117-E121 WeakPolarHBondContact O-CB 3.24Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.48Å; R117-E121 PolarHBondContact O-N 2.97Å
118K92.9Very high90.7Very high145 Ų145109 Ų10963%0.6352%0.524SS*.Hα-helixtrans-61.5-32.6177.4-73.4171.4-178.5174.10112.8A114 I115 K122A114-K118 VanDerWaalsContact O-CG 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.35Å; A114-K118 PolarHBondContact O-N 3.48Å; I115-K118 PolarHBondContact O-N 3.23Å; K118-K122 WeakPolarHBondContact O-CB 3.45Å; K118-K122 PolarHBondContact O-N 3.27Å
119L92.7Very high90.2Very high114 Ų114111.1 Ų111.160%0.59753%0.527SS*.Hα-helixtrans-71.2-45.1175.4-173.5138.1000111.3I115 A116 R117 K122 E123I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.26Å; R117-L119 VanDerWaalsContact C-N 3.25Å; R117-L119 PolarHBondContact O-N 3.41Å; L119-K122 PolarHBondContact O-N 3.06Å; L119-E123 PolarHBondContact O-N 3.27Å
120Y90.8Very high89.6Confident148 Ų148113.2 Ų113.258%0.5853%0.529SS*.Hα-helixtrans-62.7-47.6175.5177.1-99.8000112.5A116 R117 K122 E123 M124A116-Y120 WeakPolarHBondContact O-CB 3.45Å; A116-Y120 PolarHBondContact O-N 3.43Å; R117-Y120 PolarHBondContact O-N 3.49Å; Y120-K122 VanDerWaalsContact C-N 3.27Å; Y120-K122 PolarHBondContact O-N 2.85Å; Y120-E123 PolarHBondContact O-N 3.21Å; Y120-M124 HydrophobicContact CD1-CG 4.17Å; Y120-M124 HydrophobicContact CE1-CG 3.74Å; Y120-M124 HydrophobicContact CE2-CG 4.14Å; Y120-M124 HydrophobicContact CE2-SD 4.26Å; Y120-M124 WeakPolarHBondContact O-CG 3.38Å; Y120-M124 PolarHBondContact O-N 2.8Å
121E90.4Very high89Confident110 Ų110113.6 Ų113.651%0.51453%0.525SS..Hα-helixtrans-56.4-41.9174-72.6162.9-165.400111.6R117 E123 M125R117-E121 WeakPolarHBondContact O-CB 3.24Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.48Å; R117-E121 PolarHBondContact O-N 2.97Å; E121-E123 VanDerWaalsContact C-N 3.31Å; E121-E123 PolarHBondContact O-N 3.37Å; E121-M125 WeakPolarHBondContact O-CB 3.46Å; E121-M125 VanDerWaalsContact O-CG 3.24Å; E121-M125 WeakPolarHBondContact O-CG 3.47Å; E121-M125 PolarHBondContact O-N 3.08Å
122K90Very high88.1Confident142 Ų142113 Ų11362%0.61752%0.524SS*.Hα-helixtrans-71.7-23.2177.2-172.6174.3-175.5176.10113.3K118 L119 Y120 K126K118-K122 WeakPolarHBondContact O-CB 3.45Å; K118-K122 PolarHBondContact O-N 3.27Å; L119-K122 PolarHBondContact O-N 3.06Å; Y120-K122 VanDerWaalsContact C-N 3.27Å; Y120-K122 PolarHBondContact O-N 2.85Å; K122-K126 WeakPolarHBondContact O-CD 3.32Å; K122-K126 VanDerWaalsContact O-CG 3.24Å; K122-K126 WeakPolarHBondContact O-CG 3.4Å; K122-K126 PolarHBondContact O-N 3.3Å
123E89.3Confident87.2Confident118 Ų118114.3 Ų114.355%0.55153%0.525SS*.Hα-helixtrans-79.5-47.8171.3-176.9149.6-129.400111.1L119 Y120 E121 M125 K126 E127L119-E123 PolarHBondContact O-N 3.27Å; Y120-E123 PolarHBondContact O-N 3.21Å; E121-E123 VanDerWaalsContact C-N 3.31Å; E121-E123 PolarHBondContact O-N 3.37Å; E123-M125 VanDerWaalsContact C-N 3.33Å; E123-M125 PolarHBondContact O-N 2.97Å; E123-K126 CarbonylContact O-C 3.56Å; E123-K126 WeakPolarHBondContact O-CA 3.48Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 3.04Å; E123-E127 PolarHBondContact O-N 2.96Å
124M87.8Confident86.2Confident78 Ų78118.1 Ų118.138%0.38454%0.535SS..Hα-helixtrans-54.2-47.2172.3-71.4-60.3-60.700111.6Y120 K126 E127 E128Y120-M124 HydrophobicContact CD1-CG 4.17Å; Y120-M124 HydrophobicContact CE1-CG 3.74Å; Y120-M124 HydrophobicContact CE2-CG 4.14Å; Y120-M124 HydrophobicContact CE2-SD 4.26Å; Y120-M124 WeakPolarHBondContact O-CG 3.38Å; Y120-M124 PolarHBondContact O-N 2.8Å; M124-K126 VanDerWaalsContact C-N 3.25Å; M124-K126 PolarHBondContact O-N 2.76Å; M124-E127 PolarHBondContact O-N 3.42Å; M124-E127 VanDerWaalsContact O-N 3.14Å; M124-E128 WeakPolarHBondContact O-CB 3.33Å; M124-E128 PolarHBondContact O-N 3.48Å
125M81.9Confident84.9Confident102 Ų102121 Ų12150%0.50254%0.543SS..Hα-helixtrans-64.3-24.4175.6-74.4-73.5-76.700113.8E121 E123 R129E121-M125 WeakPolarHBondContact O-CB 3.46Å; E121-M125 VanDerWaalsContact O-CG 3.24Å; E121-M125 WeakPolarHBondContact O-CG 3.47Å; E121-M125 PolarHBondContact O-N 3.08Å; E123-M125 VanDerWaalsContact C-N 3.33Å; E123-M125 PolarHBondContact O-N 2.97Å; M125-R129 WeakPolarHBondContact O-CB 3.41Å; M125-R129 VanDerWaalsContact O-CD 3.31Å; M125-R129 WeakPolarHBondContact O-CD 3.36Å; M125-R129 WeakPolarHBondContact O-CG 3.49Å; M125-R129 PolarHBondContact O-N 3.42Å
126K84.3Confident83.3Confident126 Ų126121.3 Ų121.355%0.54854%0.542SS..Hα-helixtrans-80.9-38.3171.5-76.6168.7179.6178.90111.6K122 E123 M124 R129 R130K122-K126 WeakPolarHBondContact O-CD 3.32Å; K122-K126 VanDerWaalsContact O-CG 3.24Å; K122-K126 WeakPolarHBondContact O-CG 3.4Å; K122-K126 PolarHBondContact O-N 3.3Å; E123-K126 CarbonylContact O-C 3.56Å; E123-K126 WeakPolarHBondContact O-CA 3.48Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 3.04Å; M124-K126 VanDerWaalsContact C-N 3.25Å; M124-K126 PolarHBondContact O-N 2.76Å; K126-R129 PolarHBondContact O-N 2.92Å; K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.5Å
127E84.1Confident81.9Confident76 Ų76121 Ų12136%0.35554%0.539SS..Hα-helixtrans-70.4-41.9178.3-152.3-154.6135.300111E123 M124 R129 R130 R131E123-E127 PolarHBondContact O-N 2.96Å; M124-E127 PolarHBondContact O-N 3.42Å; M124-E127 VanDerWaalsContact O-N 3.14Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 3.02Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.34Å; E127-R130 PolarHBondContact O-N 2.95Å; E127-R131 WeakPolarHBondContact O-CG 3.47Å; E127-R131 PolarHBondContact O-N 3.48Å; E127-R131 IonicContact OE1-CZ 3.91Å; E127-R131 IonicContact OE1-NE 2.9Å; E127-R131 PolarHBondContact OE1-NE 2.96Å; E127-R131 IonicContact OE1-NH2 2.75Å; E127-R131 PolarHBondContact OE1-NH2 3.37Å; E127-R131 IonicContact OE2-NH2 3.94Å
128E82.2Confident80.4Confident104 Ų104118.3 Ų118.349%0.48653%0.532SS..Hα-helixtrans-60.1-43.3172-172.8173.3-157.800111.2M124 R130 R131 Q132M124-E128 WeakPolarHBondContact O-CB 3.33Å; M124-E128 PolarHBondContact O-N 3.48Å; E128-R130 VanDerWaalsContact C-N 3.29Å; E128-R130 PolarHBondContact O-N 3.34Å; E128-R131 CarbonylContact O-C 3.6Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-R131 VanDerWaalsContact O-N 3.17Å; E128-Q132 WeakPolarHBondContact O-CB 3.24Å; E128-Q132 VanDerWaalsContact O-CG 3.3Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.44Å
129R81.4Confident78.7Confident160 Ų160118.9 Ų118.960%0.60453%0.532SS*.Hα-helixtrans-62.6-30.7171.2-76.6173.3-178.6-158.8-1.5113.6M125 K126 E127 K133M125-R129 WeakPolarHBondContact O-CB 3.41Å; M125-R129 VanDerWaalsContact O-CD 3.31Å; M125-R129 WeakPolarHBondContact O-CD 3.36Å; M125-R129 WeakPolarHBondContact O-CG 3.49Å; M125-R129 PolarHBondContact O-N 3.42Å; K126-R129 PolarHBondContact O-N 2.92Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 3.02Å; R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 VanDerWaalsContact O-CG 3.31Å; R129-K133 WeakPolarHBondContact O-CG 3.49Å; R129-K133 PolarHBondContact O-N 3.08Å
130R82.3Confident77Confident171 Ų171119.1 Ų119.165%0.64553%0.53SS*.Hα-helixtrans-71.2-40.7171.9-76.7168.5167.4175.1-5.2111.5K126 E127 E128 K133 Q134K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.5Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.34Å; E127-R130 PolarHBondContact O-N 2.95Å; E128-R130 VanDerWaalsContact C-N 3.29Å; E128-R130 PolarHBondContact O-N 3.34Å; R130-K133 PolarHBondContact O-N 2.89Å; R130-Q134 WeakPolarHBondContact O-CG 3.37Å; R130-Q134 PolarHBondContact O-N 3.46Å
131R80.7Confident75.1Confident139 Ų139118.1 Ų118.153%0.52553%0.53SS..Hα-helixtrans-66.6-43.9175.1-66.8174.8-173.6-165.25.4111.2E127 E128 K133 Q134 M135E127-R131 WeakPolarHBondContact O-CG 3.47Å; E127-R131 PolarHBondContact O-N 3.48Å; E127-R131 IonicContact OE1-CZ 3.91Å; E127-R131 IonicContact OE1-NE 2.9Å; E127-R131 PolarHBondContact OE1-NE 2.96Å; E127-R131 IonicContact OE1-NH2 2.75Å; E127-R131 PolarHBondContact OE1-NH2 3.37Å; E127-R131 IonicContact OE2-NH2 3.94Å; E128-R131 CarbonylContact O-C 3.6Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-R131 VanDerWaalsContact O-N 3.17Å; R131-K133 PolarHBondContact O-N 3.2Å; R131-Q134 CarbonylContact O-C 3.59Å; R131-Q134 WeakPolarHBondContact O-CB 3.26Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-Q134 VanDerWaalsContact O-N 3.09Å; R131-M135 WeakPolarHBondContact O-CG 3.45Å; R131-M135 PolarHBondContact O-N 3Å
132Q76.6Confident73.3Confident107 Ų107118.2 Ų118.250%0.553%0.534SS..Hα-helixtrans-55.7-49.5170.8-74.3169.8-4.200110.4E128 Q134 M135 E136E128-Q132 WeakPolarHBondContact O-CB 3.24Å; E128-Q132 VanDerWaalsContact O-CG 3.3Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.44Å; Q132-Q134 VanDerWaalsContact C-N 3.28Å; Q132-Q134 PolarHBondContact O-N 3.39Å; Q132-M135 PolarHBondContact O-N 2.89Å; Q132-E136 VanDerWaalsContact O-CB 3.27Å; Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 PolarHBondContact O-N 2.99Å
133K77.8Confident71.4Confident134 Ų134120.5 Ų120.558%0.58354%0.54SS*.Hα-helixtrans-61.6-29.3174.3-80.5-179.9168.8-63.70114.7R129 R130 R131 E136 A137R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 VanDerWaalsContact O-CG 3.31Å; R129-K133 WeakPolarHBondContact O-CG 3.49Å; R129-K133 PolarHBondContact O-N 3.08Å; R130-K133 PolarHBondContact O-N 2.89Å; R131-K133 PolarHBondContact O-N 3.2Å; K133-E136 IonicContact NZ-OE2 3.74Å; K133-A137 WeakPolarHBondContact O-CB 3.48Å; K133-A137 PolarHBondContact O-N 3.21Å
134Q72.7Confident69.7Low126 Ų126121.9 Ų121.959%0.58955%0.545SS*.Hα-helixtrans-77.3-24.7173.3-75.5172.1-3.300113.1R130 R131 Q132 K138R130-Q134 WeakPolarHBondContact O-CG 3.37Å; R130-Q134 PolarHBondContact O-N 3.46Å; R131-Q134 CarbonylContact O-C 3.59Å; R131-Q134 WeakPolarHBondContact O-CB 3.26Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-Q134 VanDerWaalsContact O-N 3.09Å; Q132-Q134 VanDerWaalsContact C-N 3.28Å; Q132-Q134 PolarHBondContact O-N 3.39Å; Q134-K138 WeakPolarHBondContact O-CD 3.46Å; Q134-K138 VanDerWaalsContact O-CG 3.27Å; Q134-K138 WeakPolarHBondContact O-CG 3.43Å; Q134-K138 PolarHBondContact O-N 2.99Å
135M65.7Low68Low99 Ų99125.7 Ų125.749%0.48856%0.562SS.*Hα-helixtrans-81.1-44.2170.8-64.1-61.9-63.900110.6R131 Q132 K138 Y139R131-M135 WeakPolarHBondContact O-CG 3.45Å; R131-M135 PolarHBondContact O-N 3Å; Q132-M135 PolarHBondContact O-N 2.89Å; M135-K138 WeakPolarHBondContact O-CB 3.44Å; M135-K138 PolarHBondContact O-N 2.9Å; M135-K138 VanDerWaalsContact O-N 3.15Å; M135-Y139 HydrophobicContact CE-CE2 4.43Å; M135-Y139 WeakPolarHBondContact O-CD2 3.25Å; M135-Y139 PolarHBondContact O-N 3.37Å
136E60.6Low66.5Low113 Ų113127.3 Ų127.353%0.52857%0.572SS.*Hα-helixtrans-55.7-50.5173-174.7175.8-132.500110.6Q132 K133 K138 Y139 E140Q132-E136 VanDerWaalsContact O-CB 3.27Å; Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 PolarHBondContact O-N 2.99Å; K133-E136 IonicContact NZ-OE2 3.74Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 2.92Å; E136-Y139 PolarHBondContact O-N 2.9Å; E136-E140 WeakPolarHBondContact O-CB 3.44Å; E136-E140 PolarHBondContact O-N 3.43Å
137A64Low64.5Low51 Ų51129.2 Ų129.242%0.42158%0.583SS.*Hα-helixtrans-61.5-32.7175.800000113.4K133 E140 E141K133-A137 WeakPolarHBondContact O-CB 3.48Å; K133-A137 PolarHBondContact O-N 3.21Å; A137-E140 PolarHBondContact O-N 2.88Å; A137-E141 WeakPolarHBondContact O-CB 3.29Å; A137-E141 PolarHBondContact O-N 3.2Å
138K60.5Low62.2Low121 Ų121129.1 Ų129.153%0.52660%0.602SS.*Hα-helixtrans-71.4-41.4173.9-77.5175.1177.4-169.80112.4Q134 M135 E136 E140 E141 D142Q134-K138 WeakPolarHBondContact O-CD 3.46Å; Q134-K138 VanDerWaalsContact O-CG 3.27Å; Q134-K138 WeakPolarHBondContact O-CG 3.43Å; Q134-K138 PolarHBondContact O-N 2.99Å; M135-K138 WeakPolarHBondContact O-CB 3.44Å; M135-K138 PolarHBondContact O-N 2.9Å; M135-K138 VanDerWaalsContact O-N 3.15Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 2.92Å; K138-E140 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 3.5Å; K138-D142 WeakPolarHBondContact O-CB 3.4Å; K138-D142 PolarHBondContact O-N 3.49Å
139Y56.7Low59.9Low158 Ų158129 Ų12962%0.6262%0.619SS**Hα-helixtrans-66.6-28.3173.3-74.6-59.6000112.5M135 E136 Y143M135-Y139 HydrophobicContact CE-CE2 4.43Å; M135-Y139 WeakPolarHBondContact O-CD2 3.25Å; M135-Y139 PolarHBondContact O-N 3.37Å; E136-Y139 PolarHBondContact O-N 2.9Å; Y139-Y143 VanDerWaalsContact O-CB 3.26Å; Y139-Y143 WeakPolarHBondContact O-CB 3.43Å; Y139-Y143 PolarHBondContact O-N 2.91Å; Y139-Y143 VanDerWaalsContact O-N 3.17Å
140E56.2Low57.7Low119 Ų119127.7 Ų127.756%0.55662%0.62SS**Hα-helixtrans-79.4-35.5175-161.5164.4-138.200111.3E136 A137 K138 Y143 F144E136-E140 WeakPolarHBondContact O-CB 3.44Å; E136-E140 PolarHBondContact O-N 3.43Å; A137-E140 PolarHBondContact O-N 2.88Å; K138-E140 PolarHBondContact O-N 3.35Å; E140-Y143 PolarHBondContact O-N 3.15Å; E140-F144 HydrophobicContact CG-CD2 4.21Å; E140-F144 HydrophobicContact CG-CE2 4.26Å; E140-F144 WeakPolarHBondContact O-CD2 3.47Å; E140-F144 PolarHBondContact O-N 3.5Å
141E52.7Low56.5Low126 Ų126125 Ų12559%0.58962%0.624SS**Hα-helixtrans-61.5-52.8169-166162.8-133.100110.3A137 K138 Y143 F144 E145A137-E141 WeakPolarHBondContact O-CB 3.29Å; A137-E141 PolarHBondContact O-N 3.2Å; K138-E141 PolarHBondContact O-N 3.5Å; E141-Y143 PolarHBondContact O-N 2.83Å; E141-Y143 VanDerWaalsContact O-N 3.1Å; E141-F144 PolarHBondContact O-N 2.91Å; E141-F144 VanDerWaalsContact O-N 3.09Å; E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 PolarHBondContact O-N 2.94Å
142D51.4Low54.3Low113 Ų113127.6 Ų127.660%0.60463%0.634SS**Hα-helixtrans-54.5-28.5171.7-76.1-33.1000113.1K138K138-D142 WeakPolarHBondContact O-CB 3.4Å; K138-D142 PolarHBondContact O-N 3.49Å
143Y50.4Low52.3Low190 Ų190127.6 Ų127.675%0.74565%0.646SS**Hα-helixtrans-86.9-24.1-179.5-170.3-103.7000113.6Y139 E140 E141Y139-Y143 VanDerWaalsContact O-CB 3.26Å; Y139-Y143 WeakPolarHBondContact O-CB 3.43Å; Y139-Y143 PolarHBondContact O-N 2.91Å; Y139-Y143 VanDerWaalsContact O-N 3.17Å; E140-Y143 PolarHBondContact O-N 3.15Å; E141-Y143 PolarHBondContact O-N 2.83Å; E141-Y143 VanDerWaalsContact O-N 3.1Å
144F53.2Low50.5Low146 Ų146125 Ų12564%0.6465%0.649SS**Hα-helixtrans-92.3-22.9174.7-89-84.1000113.3E140 E141 D146 H147E140-F144 HydrophobicContact CG-CD2 4.21Å; E140-F144 HydrophobicContact CG-CE2 4.26Å; E140-F144 WeakPolarHBondContact O-CD2 3.47Å; E140-F144 PolarHBondContact O-N 3.5Å; E141-F144 PolarHBondContact O-N 2.91Å; E141-F144 VanDerWaalsContact O-N 3.09Å; F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.37Å; F144-H147 PolarHBondContact O-N 2.83Å
145E53.2Low48.8Very low158 Ų158125.9 Ų125.974%0.73866%0.658SS**G310 helixtrans-65.2-24-176.9-160118.8-121.600113.6E141 H147E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 PolarHBondContact O-N 2.94Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 3.21Å
146D50.3Low47.7Very low136 Ų136126.8 Ų126.873%0.72767%0.669SS**G310 helixtrans-76.8-7.2176.8-16550.1000113.8F144F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.37Å
147H42.8Very low46.6Very low167 Ų167127 Ų12777%0.77367%0.673SS**G310 helixtrans-129.846.8-170.9-85.722.5000115.7F144 E145F144-H147 PolarHBondContact O-N 2.83Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 3.21Å
148G34.1Very low45.7Very low73 Ų73131.6 Ų131.675%0.75368%0.684SS**  trans136.4135.1145.300000118.9
149A35.6Very low44.5Very low102 Ų102136.7 Ų136.784%0.84370%0.7SS**  trans-72.9172.5170.900000112.5
150E35.1Very low43.3Very low133 Ų133133.9 Ų133.962%0.62170%0.704SS**  cis-150.6159.718.9-137-143.4161.900109.7R152E150-R152 IonicContact OE1-NH2 2.82Å; E150-R152 IonicContact OE2-CZ 3.13Å; E150-R152 IonicContact OE2-NH1 2.58Å; E150-R152 PolarHBondContact OE2-NH1 3.23Å; E150-R152 IonicContact OE2-NH2 2.65Å; E150-R152 PolarHBondContact OE2-NH2 3.5Å
151P57Low42.5Very low114 Ų114138.4 Ų138.474%0.7472%0.715SS**  trans-95.9126-175.734.5-29.5000114
152R34.2Very low41.8Very low194 Ų194139.8 Ų139.873%0.73272%0.722SS**  trans-147.5126.1173.6-84.6-154.9176.980.122.5116.2E150E150-R152 IonicContact OE1-NH2 2.82Å; E150-R152 IonicContact OE2-CZ 3.13Å; E150-R152 IonicContact OE2-NH1 2.58Å; E150-R152 PolarHBondContact OE2-NH1 3.23Å; E150-R152 IonicContact OE2-NH2 2.65Å; E150-R152 PolarHBondContact OE2-NH2 3.5Å
153S34.3Very low40.8Very low106 Ų106139.7 Ų139.774%0.74173%0.726SS**  trans31.7149.3131.962.30000122.1
154A39.7Very low40Very low79 Ų79135.7 Ų135.765%0.65373%0.725SS**  cis-174.6-174.7-1000000109.3
155D36.7Very low38.9Very low145 Ų145140.2 Ų140.278%0.77574%0.738SS**  trans72.4111.6158.7-65.1-40000118.6
156V42.8Very low38.2Very low118 Ų118137.3 Ų137.372%0.71574%0.736SS**  78.792.981.6168.60000110.6
157D38.3Very low38.2Very low117 Ų117135.8 Ų135.863%0.62673%0.733SS**  -178.1172.589.2-115.815.8000110.9
158K44.7Very low37.6Very low149 Ų149135.1 Ų135.165%0.64874%0.735SS**  cis-174.2171.9-21.8-120.6-173.4-15384.90104.6
159R34.5Very low37.7Very low228 Ų228139.8 Ų139.886%0.8674%0.742SS**  cis-166.4110.73.7-148.8-176.4-170.7-178.72.7109.8
160S33Very low37.5Very low99 Ų99143.8 Ų143.869%0.69274%0.743SS**  trans-168.9117.6158.4-171.20000115.6
161R38.9Very low37.2Very low214 Ų214141 Ų14181%0.80875%0.75SS**  trans38.3136.5138.8-56.6176.9179.5131.9-5.6120.8
162Q37Very low36.2Very low154 Ų154140.4 Ų140.472%0.7275%0.748SS**  cis-164.1130.2-3.9-124.4161.5-50.400112.3
163T30.8Very low36.1Very low112 Ų112142 Ų14269%0.68776%0.756SS**  trans43.8106.9138.556.30000122.4
164S34.3Very low36.3Very low106 Ų106141.6 Ų141.674%0.74175%0.753SS**  46.399.2126.162.90000121.9
165R29.1Very low36.4Very low240 Ų240143.9 Ų143.991%0.90676%0.761SS**  -48.8142.3125.5169-170.8179.3-159.92.4109.3
166S39Very low36.2Very low98 Ų98142.9 Ų142.969%0.68577%0.766SS**  cis-140.5-166.915.1-104.30000108.4
167P51.3Low36Very low104 Ų104149 Ų14968%0.67578%0.776SS**  cis-139.4-153.111.940.2-16.1000115.7
168D30.1Very low35.7Very low153 Ų153148.6 Ų148.682%0.81878%0.782SS**  trans87.5165.3158.7-62.4-22.3000121.6
169L36.4Very low35Very low170 Ų170148.1 Ų148.189%0.8979%0.787SS**  trans-129.8170.9-149.3-85.9159.8000112.8
170H29.7Very low34.8Very low187 Ų187148.4 Ų148.487%0.86679%0.788SS**  trans82.8125.1161.7-136.7-51.5000117.1
171G29.6Very low34.7Very low74 Ų74153.6 Ų153.676%0.76380%0.798SS**  trans161.895.3174.100000113.4
172S36.3Very low34.2Very low102 Ų102151.6 Ų151.671%0.71380%0.797SS**  trans-91.3136.8-179.2-48.20000111.8
173Y31.1Very low34Very low227 Ų227148.4 Ų148.489%0.8979%0.792SS**  -177.3168.5121.5-117-97.9000112.8
174S38.3Very low35.1Very low98 Ų98148.1 Ų148.169%0.68579%0.792SS**  trans-73.9157.4-169.9-43.10000116.2
175P41.8Very low34.9Very low127 Ų127149.3 Ų149.383%0.82579%0.79SS**  trans-112.6138.9141.932.8-24000112
176S34.3Very low35.1Very low124 Ų124147.2 Ų147.287%0.86778%0.784SS**  trans-79.1155.1177.8-73.30000113.1
177R36.8Very low34.7Very low246 Ų246153.8 Ų153.893%0.92880%0.795SS**  trans-70.5146.7-172.9-56.6169.5175.3-179.4-3.7113.8
178S32.7Very low34.3Very low108 Ų108154 Ų15476%0.75580%0.799SS**  -163.1151.6128.154.70000112.9
179N29.3Very low34.5Very low139 Ų139151 Ų15174%0.74380%0.796SS**  trans89.3105.3-174.7-61.8-48.7000115.7
180R31.5Very low34.3Very low234 Ų234150.6 Ų150.688%0.88379%0.789SS**  75.678.264.4-172.1-177.6-89.5177.8-7.1110.9
181K30Very low34.9Very low209 Ų209146.7 Ų146.791%0.90979%0.789SS**  trans-90.9149.5161-74.6-93-174171.60108.7
182H28.5Very low35.2Very low171 Ų171151.1 Ų151.179%0.79279%0.788SS**  trans-147.4125.7171.9-179.375.4000110.1
183S32.9Very low35Very low88 Ų88157.9 Ų157.962%0.61580%0.798SS**  trans60.4166.9166.8-64.40000117.5
184P54.8Low35.3Very low106 Ų106152.7 Ų152.769%0.68879%0.794SS**  cis-102.6-170.3-7.628.1-6.4000110.7
185D30Very low35.1Very low131 Ų131159.2 Ų159.270%0.70180%0.804SS**  cis-154.9166.631.4-101.3-58.4000113.9
186Y32.7Very low34.7Very low196 Ų196163.5 Ų163.577%0.76981%0.805SS**  trans39.9123.2153-90.5-103.3000121.8
187Y31.4Very low35.1Very low236 Ų236163.2 Ų163.293%0.92580%0.8SS**  trans-154.1132.9135.9-107.6-71.4000112.3
188S41.7Very low35Very low107 Ų107160.6 Ų160.675%0.74880%0.795SS**  trans-122118.8166.8-670000109.2
189A35.5Very low35.2Very low92 Ų92164.7 Ų164.776%0.7680%0.803SS**  trans174.713915200000113.2
190E31.8Very low35.2Very low160 Ų160165.7 Ų165.775%0.74881%0.808SS**  trans53.1119.8150.4-62.8-168.8171.900122K192E190-K192 IonicContact OE2-NZ 2.65Å; E190-K192 PolarHBondContact OE2-NZ 2.92Å
191A42.3Very low35.4Very low105 Ų105160.5 Ų160.587%0.86881%0.808SS**  trans-82.213017000000113.2
192K35.5Very low35.4Very low167 Ų167155.8 Ų155.873%0.72681%0.808SS**  trans-129.1103.5169.5-77.4171.7-174.7131.70112.7E190E190-K192 IonicContact OE2-NZ 2.65Å; E190-K192 PolarHBondContact OE2-NZ 2.92Å
193R33Very low35.7Very low245 Ų245152.3 Ų152.393%0.92581%0.809SS**  trans32.8118.4141.7-66175.1174.9148.20.4118.5R195R193-R195 PolarHBondContact O-N 2.94Å
194S37.6Very low35.7Very low117 Ų117155.1 Ų155.182%0.81882%0.816SS**  trans-41.2133.5151.6169.70000113.3
195R32.8Very low34.6Very low236 Ų236161.2 Ų161.289%0.89183%0.825SS**  trans-161.9109.3148.1-105.7172.7-154-1574.2110R193R193-R195 PolarHBondContact O-N 2.94Å
196Y34.1Very low34.5Very low217 Ų217158.2 Ų158.285%0.85183%0.825SS**PPolyproline II helixtrans-72.6148.2156.9-107.9-100.6000109.4
197P43Very low34.3Very low117 Ų117158.5 Ų158.576%0.7683%0.833SS**PPolyproline II helixtrans-65.3147.9171.3-18.131.9000111.5
198K34.6Very low34.2Very low191 Ų191151.1 Ų151.183%0.8382%0.816SS**PPolyproline II helixtrans-83.1156.9162.5-68-175.4176.7-174.30109.3
199Q35.5Very low33.8Very low194 Ų194157.3 Ų157.391%0.90782%0.823SS**PPolyproline II helixtrans-83.2148.9157.3-71.2176.9-22.900109.3
200D31Very low33.6Very low160 Ų160162.4 Ų162.486%0.85682%0.824SS**PPolyproline II helixtrans-91.1162.2-164.8-67-63000115.2
201S34.8Very low34.2Very low125 Ų125161 Ų16187%0.87483%0.828SS**  trans-123.8101.8172.3-60.80000111.1
202A30.9Very low34Very low110 Ų110162.3 Ų162.391%0.90982%0.817SS**  trans-163.4143.3158.100000110.9
203A34.1Very low34.3Very low99 Ų99159.4 Ų159.482%0.81882%0.815SS**  trans-112.2153.3177.400000111.5
204L33.7Very low34.3Very low147 Ų147153.7 Ų153.777%0.7781%0.807SS**  trans-160.4126.6155.1-103.2-172.9000112.3
205R30.2Very low34Very low233 Ų233157.1 Ų157.188%0.87981%0.81SS**  trans66.3140.1166.5-47.7173.4-165.4-950.2116.2
206G27.6Very low33.9Very low68 Ų68150.4 Ų150.470%0.70181%0.805SS**  cis165153.7-10.100000112.9
207H28.8Very low33.8Very low203 Ų203146.9 Ų146.994%0.9480%0.797SS**  trans65.8154.3176.1-69.2-45.4000116.2
208S30.7Very low33.3Very low80 Ų80151.7 Ų151.756%0.55980%0.799SS**  cis-158.2142.4-2139.80000112.9
209R33Very low33.1Very low238 Ų238145.8 Ų145.890%0.89879%0.793SS**  trans69.1117.3154-68.9168.1-153.7-1171120.9
210Y30Very low33.1Very low199 Ų199148.1 Ų148.178%0.7879%0.794SS**  trans-59.6171.6145.6-96.7-95.8000112.3E212Y210-E212 HydrophobicContact CD1-CB 4.28Å; Y210-E212 HydrophobicContact CD1-CG 4.02Å; Y210-E212 HydrophobicContact CE1-CG 3.97Å
211P44.6Very low33.4Very low129 Ų129145.4 Ų145.484%0.83879%0.788SS**  -124129.310035.1-31.5000114.8
212E38.6Very low33.6Very low133 Ų133148.4 Ų148.462%0.62179%0.785SS**  trans-83.1150154.3-108.9-86156.100107.8Y210Y210-E212 HydrophobicContact CD1-CB 4.28Å; Y210-E212 HydrophobicContact CD1-CG 4.02Å; Y210-E212 HydrophobicContact CE1-CG 3.97Å
213P42.5Very low33.7Very low107 Ų107150.5 Ų150.570%0.69578%0.78SS**  -149.4174.693.241.4-23.7000113.7
214V31.7Very low33.6Very low125 Ų125150 Ų15076%0.75878%0.775SS**  cis-153.41733.6-123.80000112.3
215E31.4Very low34Very low189 Ų189150.2 Ų150.288%0.88378%0.777SS**  trans-71.5152-179.5-46.9165.8130.300117.1
216A30.4Very low34.6Very low95 Ų95144.9 Ų144.979%0.78577%0.773SS**  trans-172.6118.7144.300000110.2
217E33.7Very low35Very low143 Ų143150.7 Ų150.767%0.66878%0.775SS**  65.2115.680.8-95.5-91.5121.400117.2
218R31.7Very low36.3Very low217 Ų217147 Ų14782%0.81977%0.769SS**  trans45.3133.2153.6-57.4177.4-163.9-169.711.8120.2
219G31.1Very low36.6Very low68 Ų68149.7 Ų149.770%0.70177%0.773SS**  cis123.6146.526.800000111.8
220R34.3Very low36.6Very low242 Ų242145.7 Ų145.791%0.91376%0.764SS**  trans67.7121.5175.8-50.9179.6-176.8-138-2.7115.2
221S38.1Very low37.1Very low104 Ų104144.5 Ų144.573%0.72777%0.77SS**  cis79.3113.144.482.60000116.1
222K38.1Very low37Very low188 Ų188145.5 Ų145.582%0.81777%0.768SS**  trans171.5138.5133.1-97.2174.2178.8-170.60115.7
223L32.8Very low37.1Very low154 Ų154145.2 Ų145.281%0.80678%0.777SS**  trans69117.3139.3-65.1166.9000123.9
224A32.7Very low36.8Very low87 Ų87145.6 Ų145.672%0.71978%0.782SS**  75.1119.6124.600000123.4
225D42.1Very low36.9Very low153 Ų153151.5 Ų151.582%0.81879%0.791SS**  22.6152.7124-82-43.5000122.2
226P43.7Very low37Very low120 Ų120145.5 Ų145.578%0.77978%0.78SS**  cis-140.5-178.633.542.4-23.6000118.6
227Y35.2Very low37.1Very low190 Ų190151.1 Ų151.175%0.74579%0.786SS**  trans-63.7157.8173.6-140.5-108.5000114.2E229Y227-E229 HydrophobicContact CD1-CB 4.02Å; Y227-E229 HydrophobicContact CD1-CG 4.34Å; Y227-E229 HydrophobicContact CE1-CB 4.04Å; Y227-E229 HydrophobicContact CE1-CG 3.95Å
228P55.8Low37Very low126 Ų126152.6 Ų152.682%0.81879%0.793SS**  -133.6160.3127.734.5-22.7000114
229E37.7Very low37.2Very low137 Ų137145.6 Ų145.664%0.6479%0.788SS**  trans-113.4173.9-157.8-154.7-172.5145.800113.7Y227Y227-E229 HydrophobicContact CD1-CB 4.02Å; Y227-E229 HydrophobicContact CD1-CG 4.34Å; Y227-E229 HydrophobicContact CE1-CB 4.04Å; Y227-E229 HydrophobicContact CE1-CG 3.95Å
230H33.6Very low37.6Very low154 Ų154149 Ų14971%0.71379%0.79SS**  trans69.4106.8167.1-28.7-63.4000118.3
231L38.7Very low37.5Very low174 Ų174148.5 Ų148.591%0.91179%0.789SS**  -162.9101.1125.5-102.3-176.2000109.6
232L43Very low37.2Very low150 Ų150153.3 Ų153.379%0.78579%0.792SS**  trans-110157.6163.9-70.4177.5000108.8
233P40.4Very low37.9Very low127 Ų127149.8 Ų149.883%0.82579%0.789SS**  -133.6140.7102.836.1-28.1000114
234S35.9Very low37.8Very low114 Ų114151.6 Ų151.680%0.79779%0.793SS**  trans-63141.9173.7-54.50000112.3
235R34.8Very low37.6Very low250 Ų250156.4 Ų156.494%0.94380%0.798SS**  trans-138.8125.2169.2-172175.9-178.1175.21.2112.7
236G33.1Very low37.3Very low62 Ų62156.4 Ų156.464%0.63979%0.793SS**  trans73.187.8151.900000117.3H238G236-H238 PolarHBondContact O-N 3.48Å
237K33.4Very low36.9Very low214 Ų214155.4 Ų155.493%0.9379%0.786SS**  trans-63.8114.4149.4-66.9179.5-179.3179.40107.7G239K237-G239 PolarHBondContact O-N 3.43Å
238H31.6Very low36.8Very low174 Ų174151.6 Ų151.681%0.80679%0.787SS**  trans-79.7105162.9-98.5-97.5000108.4G236G236-H238 PolarHBondContact O-N 3.48Å
239G36.1Very low35.5Very low70 Ų70155.2 Ų155.272%0.72279%0.786SS**  trans-9096.1167.700000108.9K237 R241K237-G239 PolarHBondContact O-N 3.43Å; G239-R241 VanDerWaalsContact C-N 3.28Å; G239-R241 PolarHBondContact O-N 3.37Å
240D38Very low35.4Very low139 Ų139154.7 Ų154.774%0.74379%0.792SS**  trans-71.788.7174.3-73.1-23.6000109.4Y242D240-Y242 PolarHBondContact O-N 2.9Å
241R33.3Very low35.2Very low232 Ų232151.1 Ų151.188%0.87580%0.798SS**  trans-63.299.2172.6178.7-177.8-68.2-163.5-4.1108.8G239G239-R241 VanDerWaalsContact C-N 3.28Å; G239-R241 PolarHBondContact O-N 3.37Å
242Y31.5Very low34.8Very low205 Ų205154.1 Ų154.180%0.80480%0.797SS**PPolyproline II helixtrans-52.4130.6162.5-103.9-101.3000109.5D240D240-Y242 PolarHBondContact O-N 2.9Å
243P51.8Low34.2Very low114 Ų114151.8 Ų151.874%0.7480%0.8SS**PPolyproline II helixtrans-67.2129.9159.6-14.830.3000108.8F245P243-F245 PolarHBondContact O-N 2.95Å
244E30.6Very low33.8Very low191 Ų191157.3 Ų157.389%0.89380%0.804SS**PPolyproline II helixtrans-68117.4174-69.9154143.800109.1
245F29.6Very low33.6Very low188 Ų188159.3 Ų159.383%0.82580%0.801SS**  trans-98.190.7173.9-175.6-98000109.1P243 P247P243-F245 PolarHBondContact O-N 2.95Å; F245-P247 VanDerWaalsContact O-CD 3.26Å; F245-P247 WeakPolarHBondContact O-CD 3.22Å
246E34.8Very low33.5Very low153 Ų153155.6 Ų155.672%0.71579%0.794SS**  trans-54.8116.7172-84.7-70.5162.900111.2S248E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 3.18Å
247P36.1Very low33.5Very low99 Ų99156 Ų15664%0.64380%0.798SS**  trans-76.876.3178.5-1229.3000111F245 Y249F245-P247 VanDerWaalsContact O-CD 3.26Å; F245-P247 WeakPolarHBondContact O-CD 3.22Å; P247-Y249 VanDerWaalsContact O-CD1 3.32Å; P247-Y249 WeakPolarHBondContact O-CD1 3.42Å; P247-Y249 PolarHBondContact O-N 3.06Å
248S32.7Very low33.5Very low110 Ų110155.4 Ų155.477%0.76980%0.799SS**  trans-70.592.617862.20000111.7E246 T250E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 3.18Å; S248-T250 PolarHBondContact O-N 3.1Å
249Y29.3Very low33.6Very low203 Ų203156.2 Ų156.280%0.79681%0.805SS**  trans-56.3122.3166.244.2-86.6000110.5P247P247-Y249 VanDerWaalsContact O-CD1 3.32Å; P247-Y249 WeakPolarHBondContact O-CD1 3.42Å; P247-Y249 PolarHBondContact O-N 3.06Å
250T34.9Very low33.7Very low125 Ų125161.9 Ų161.977%0.76781%0.813SS**  trans173.1112.3138.625.20000109.5S248S248-T250 PolarHBondContact O-N 3.1Å
251G29.8Very low33.5Very low80 Ų80161.8 Ų161.883%0.82582%0.817SS**  trans-69.8131.4164.900000110.2
252R29.6Very low33.6Very low236 Ų236158.3 Ų158.389%0.89182%0.816SS**  trans-132.9113.1153.5-72.5-163.7-175.3-143.72109.5
253A31.3Very low33.7Very low102 Ų102151.6 Ų151.684%0.84381%0.809SS**  trans-59.8142.1162.700000109.3
254R31.3Very low32.9Very low243 Ų243153.2 Ų153.292%0.91782%0.817SS**  trans-14191.5159.4-130177.3-174.1174.11.1110.7
255E31.3Very low33.2Very low156 Ų156153 Ų15373%0.72982%0.818SS**  trans-57.6165.7149.5-165.6-167.2-115.800109.8
256Q33.7Very low33.9Very low172 Ų172156 Ų15680%0.80482%0.824SS**  trans71.3150.4175.8-50165.825.900113.4
257G31.8Very low34Very low71 Ų71160.4 Ų160.473%0.73283%0.834SS**  cis167.7153.2100000108.7M259G257-M259 PolarHBondContact O-N 3.25Å
258Q34.2Very low34.3Very low200 Ų200165.1 Ų165.194%0.93584%0.844SS**  trans-65.4133.4-172.8-65161.2-5700112.5
259M33.4Very low34.7Very low192 Ų192169 Ų16995%0.94685%0.85SS**  trans-155.4126.3137.7-116.4178.1-173.900110.8G257G257-M259 PolarHBondContact O-N 3.25Å
260E38.2Very low35.6Very low189 Ų189168.8 Ų168.888%0.88385%0.853SS**  trans-97.8139.3167-58.8177.612100108.9
261V35Very low36.3Very low137 Ų137168.9 Ų168.983%0.8386%0.856SS**  trans-152150.4140.8176.80000107.8
262D35.3Very low37.2Very low159 Ų159169.7 Ų169.785%0.8586%0.855SS**  trans-34.5154.6175.1-53.1-54000118.1
263G32.6Very low38.1Very low64 Ų64169.7 Ų169.766%0.6686%0.855SS**  cis165.7-178.4-1.600000114.1
264V35.9Very low39.3Very low148 Ų148169.9 Ų169.990%0.89785%0.847SS**  trans59.186.9167.1-163.40000118.2
265M36.1Very low40.6Very low187 Ų187163.8 Ų163.892%0.92184%0.839SS**  trans-138.2142.3138-82.1-149.5-179.200111.5R267M265-R267 PolarHBondContact O-N 3.29Å
266R44.8Very low41.7Very low251 Ų251161.7 Ų161.795%0.94784%0.839SS**  trans-64.5110.7-174.8-83.1176.1152.5148.3-6.8112.1K268R266-K268 PolarHBondContact O-N 2.92Å
267R36.3Very low42.1Very low245 Ų245158.8 Ų158.893%0.92584%0.836SS**  trans-73.3115.5161.7-66.8-174.3179-170.61109.3M265M265-R267 PolarHBondContact O-N 3.29Å
268K43.7Very low42.9Very low198 Ų198165 Ų16586%0.86185%0.845SS**PPolyproline II helixtrans-80.2125.2154.4-78.3-174.4174.3-177.80107.3R266R266-K268 PolarHBondContact O-N 2.92Å
269E40.7Very low43Very low191 Ų191161.2 Ų161.289%0.89384%0.836SS**PPolyproline II helixtrans-62.6137.6171.3-68.1-178.9108.500110.4
270K47.5Very low43.5Very low198 Ų198157.7 Ų157.786%0.86183%0.825SS**PPolyproline II helixtrans-90.2131.7159.5-69.3179.9178.6177.70106.5
271P49.6Very low44.2Very low127 Ų127154.1 Ų154.183%0.82582%0.816SS**PPolyproline II helixtrans-60.2146.2177.526.1-34.2000110.6
272A49Very low45Very low98 Ų98153.4 Ų153.481%0.8180%0.804SS**PPolyproline II helixtrans-61.3140.2-177.400000111.8
273R48.8Very low45.7Very low236 Ų236155.3 Ų155.389%0.89180%0.799SS**PPolyproline II helixtrans-68.2127173.9-171.7-175.8-171.2-176.63.9108.7
274P55.7Low47Very low105 Ų105156.4 Ų156.468%0.68279%0.79SS**PPolyproline II helixtrans-63.8151.1175.227.1-34.3000110.8
275P58.1Low48.2Very low115 Ų115154.1 Ų154.175%0.74777%0.768SS**PPolyproline II helixtrans-62.6150.1176.827.5-34.8000111.2
276P55Low49.6Very low112 Ų112149.6 Ų149.673%0.72775%0.747SS**PPolyproline II helixtrans-65.5143.6177.828.7-34.5000110.8
277P42.9Very low50.8Low112 Ų112144.6 Ų144.673%0.72773%0.728SS**PPolyproline II helixtrans-69.1139.2178.428.7-34.5000111.3T279P277-T279 PolarHBondContact O-N 3.39Å
278H47.2Very low52.4Low201 Ų201138.2 Ų138.293%0.93171%0.709SS**  trans-69.887.5171.2-79.2-89.8000110.9
279T37.9Very low53.8Low120 Ų120133.8 Ų133.874%0.73669%0.69SS**  trans-76.8141.9163.154.70000110.2P277P277-T279 PolarHBondContact O-N 3.39Å
280T43.6Very low55.5Low119 Ų119129.5 Ų129.573%0.7367%0.673SS**  trans-64.8152.2-17341.40000114.3E282T280-E282 PolarHBondContact O-N 2.86Å
281V52.8Low56.8Low114 Ų114128.4 Ų128.469%0.69166%0.664SS**THydrogen-bonded Turntrans-78.854.1-166.3-165.30000112.7K285V281-K285 VanDerWaalsContact O-CE 3.24Å; V281-K285 WeakPolarHBondContact O-CE 3.29Å
282E51.4Low58Low121 Ų121127.2 Ų127.257%0.56565%0.647SS**THydrogen-bonded Turntrans-105.2-41.5-177.6-65.6-92.689.100111.5T280 D284 K285T280-E282 PolarHBondContact O-N 2.86Å; E282-D284 VanDerWaalsContact C-N 3.29Å; E282-D284 PolarHBondContact O-N 2.92Å; E282-K285 PolarHBondContact O-N 3.3Å; E282-K285 IonicContact OE1-NZ 3.66Å; E282-K285 PolarHBondContact OE1-NZ 2.86Å
283R49.8Very low59.2Low200 Ų200130.4 Ų130.476%0.75564%0.638SS**Hα-helixtrans-64.2-24.2-171.6175.1168.5-81.7-175.2-5114.9
284D59.4Low60.9Low87 Ų87124.6 Ų124.647%0.46562%0.62SS.*Hα-helixtrans-90.5-19.1-175.6-62.4-54.9000113.6E282 D286 R287 E288E282-D284 VanDerWaalsContact C-N 3.29Å; E282-D284 PolarHBondContact O-N 2.92Å; D284-D286 VanDerWaalsContact C-N 3.3Å; D284-D286 PolarHBondContact O-N 3.39Å; D284-R287 PolarHBondContact O-N 2.84Å; D284-R287 IonicContact OD1-NH1 3.01Å; D284-R287 PolarHBondContact OD1-NH1 3.42Å; D284-E288 WeakPolarHBondContact O-CB 3.43Å; D284-E288 PolarHBondContact O-N 3.06Å
285K61.7Low62Low100 Ų100122.5 Ų122.544%0.43560%0.604SS.*Hα-helixtrans-60-37.5179.3-66.5173.9-175.9163.50112.7V281 E282 K289V281-K285 VanDerWaalsContact O-CE 3.24Å; V281-K285 WeakPolarHBondContact O-CE 3.29Å; E282-K285 PolarHBondContact O-N 3.3Å; E282-K285 IonicContact OE1-NZ 3.66Å; E282-K285 PolarHBondContact OE1-NZ 2.86Å; K285-K289 VanDerWaalsContact O-CG 3.27Å; K285-K289 WeakPolarHBondContact O-CG 3.41Å; K285-K289 PolarHBondContact O-N 3.43Å; K285-K289 VanDerWaalsContact O-N 3.08Å
286D64.9Low63Low91 Ų91125 Ų12549%0.48760%0.598SS.*Hα-helixtrans-78.9-36.5-179.3-63.8-36000111.9D284 E288 K289 D290D284-D286 VanDerWaalsContact C-N 3.3Å; D284-D286 PolarHBondContact O-N 3.39Å; D286-E288 VanDerWaalsContact C-N 3.26Å; D286-E288 PolarHBondContact O-N 3.31Å; D286-K289 PolarHBondContact O-N 3.32Å; D286-K289 IonicContact OD1-NZ 3.18Å; D286-K289 PolarHBondContact OD1-NZ 2.96Å; D286-D290 PolarHBondContact O-N 2.89Å
287R69.8Low64.3Low146 Ų146124.8 Ų124.855%0.55159%0.591SS**Hα-helixtrans-61.2-35.7170-71.3170.5159.9-179-9.1112.4D284 R291D284-R287 PolarHBondContact O-N 2.84Å; D284-R287 IonicContact OD1-NH1 3.01Å; D284-R287 PolarHBondContact OD1-NH1 3.42Å; R287-R291 WeakPolarHBondContact O-CG 3.46Å; R287-R291 PolarHBondContact O-N 3.05Å; R287-R291 VanDerWaalsContact O-N 3.12Å
288E71.3Confident66.3Low112 Ų112125.6 Ų125.652%0.52358%0.58SS.*Hα-helixtrans-70.5-42.6175.6-171.1173-159.200111.8D284 D286 D290 R291 Q292D284-E288 WeakPolarHBondContact O-CB 3.43Å; D284-E288 PolarHBondContact O-N 3.06Å; D286-E288 VanDerWaalsContact C-N 3.26Å; D286-E288 PolarHBondContact O-N 3.31Å; E288-D290 VanDerWaalsContact C-N 3.34Å; E288-D290 PolarHBondContact O-N 2.98Å; E288-R291 PolarHBondContact O-N 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.47Å; E288-Q292 PolarHBondContact O-N 2.87Å
289K72.3Confident68Low105 Ų105120.9 Ų120.946%0.45756%0.561SS.*Hα-helixtrans-59-43171.4-69.2165.3-157.1164.40112.1K285 D286 Q292 R293K285-K289 VanDerWaalsContact O-CG 3.27Å; K285-K289 WeakPolarHBondContact O-CG 3.41Å; K285-K289 PolarHBondContact O-N 3.43Å; K285-K289 VanDerWaalsContact O-N 3.08Å; D286-K289 PolarHBondContact O-N 3.32Å; D286-K289 IonicContact OD1-NZ 3.18Å; D286-K289 PolarHBondContact OD1-NZ 2.96Å; K289-Q292 PolarHBondContact O-N 2.75Å; K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 2.85Å
290D77Confident70.1Confident101 Ų101122.2 Ų122.254%0.5455%0.554SS.*Hα-helixtrans-68-36.1-179.1-73.2-16.6000112.2D286 E288 R293 H294D286-D290 PolarHBondContact O-N 2.89Å; E288-D290 VanDerWaalsContact C-N 3.34Å; E288-D290 PolarHBondContact O-N 2.98Å; D290-R293 PolarHBondContact O-N 3.07Å; D290-H294 WeakPolarHBondContact O-CB 3.37Å; D290-H294 PolarHBondContact O-N 2.87Å
291R73.9Confident72.1Confident175 Ų175124.3 Ų124.366%0.6655%0.553SS**Hα-helixtrans-61.1-52.3167.9-72168.5-179.8174.2-1.1111.2R287 E288 R293 H294 D295R287-R291 WeakPolarHBondContact O-CG 3.46Å; R287-R291 PolarHBondContact O-N 3.05Å; R287-R291 VanDerWaalsContact O-N 3.12Å; E288-R291 PolarHBondContact O-N 3.28Å; R291-R293 PolarHBondContact O-N 2.93Å; R291-H294 PolarHBondContact O-N 3.33Å; R291-H294 VanDerWaalsContact O-N 3.08Å; R291-D295 WeakPolarHBondContact O-CB 3.4Å; R291-D295 PolarHBondContact O-N 2.82Å
292Q75.1Confident73.4Confident101 Ų101122.5 Ų122.547%0.47254%0.542SS..Hα-helixtrans-60.6-27.4178.6-70.7179.118.200113.6E288 K289 R296E288-Q292 WeakPolarHBondContact O-CG 3.47Å; E288-Q292 PolarHBondContact O-N 2.87Å; K289-Q292 PolarHBondContact O-N 2.75Å; Q292-R296 VanDerWaalsContact O-CB 3.25Å; Q292-R296 WeakPolarHBondContact O-CB 3.41Å; Q292-R296 PolarHBondContact O-N 2.9Å
293R75Confident75Confident166 Ų166122.6 Ų122.663%0.62654%0.542SS*.Hα-helixtrans-70.9-54.6169.5-75.1174.5176.6-76.51.4111.1K289 D290 R291 D295 R296 D297K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 2.85Å; D290-R293 PolarHBondContact O-N 3.07Å; R291-R293 PolarHBondContact O-N 2.93Å; R293-D295 VanDerWaalsContact C-N 3.31Å; R293-D295 PolarHBondContact O-N 2.58Å; R293-R296 PolarHBondContact O-N 2.96Å; R293-R296 VanDerWaalsContact O-N 3.16Å; R293-D297 PolarHBondContact O-N 3.07Å
294H83.2Confident76.6Confident113 Ų113120.7 Ų120.752%0.52354%0.535SS..Hα-helixtrans-58.7-40.5-178.6177.5-82.1000112.8D290 R291 D297 R298D290-H294 WeakPolarHBondContact O-CB 3.37Å; D290-H294 PolarHBondContact O-N 2.87Å; R291-H294 PolarHBondContact O-N 3.33Å; R291-H294 VanDerWaalsContact O-N 3.08Å; H294-D297 PolarHBondContact O-N 2.98Å; H294-R298 PolarHBondContact CE1-NH2 3.35Å; H294-R298 PolarHBondContact O-N 2.65Å
295D78.7Confident78Confident61 Ų61125.8 Ų125.833%0.32655%0.548SS..Hα-helixtrans-69.5-40.7177.6-63.1-35.4000111R291 R293 D297 R298 D299R291-D295 WeakPolarHBondContact O-CB 3.4Å; R291-D295 PolarHBondContact O-N 2.82Å; R293-D295 VanDerWaalsContact C-N 3.31Å; R293-D295 PolarHBondContact O-N 2.58Å; D295-D297 VanDerWaalsContact C-N 3.35Å; D295-D297 PolarHBondContact O-N 3.17Å; D295-R298 WeakPolarHBondContact O-CA 3.09Å; D295-R298 WeakPolarHBondContact O-CB 3.11Å; D295-R298 PolarHBondContact O-N 2.94Å; D295-R298 VanDerWaalsContact O-N 3.14Å; D295-R298 IonicContact OD1-CZ 3.47Å; D295-R298 IonicContact OD1-NH1 2.75Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 2.66Å; D295-D299 VanDerWaalsContact O-CG 3.23Å; D295-D299 PolarHBondContact O-N 3.42Å
296R79.6Confident79.1Confident168 Ų168126.8 Ų126.863%0.63456%0.556SS**Hα-helixtrans-65.1-35173.4-167.6-177.4-53.6-172.52.5113.2Q292 R293 D299 Y300Q292-R296 VanDerWaalsContact O-CB 3.25Å; Q292-R296 WeakPolarHBondContact O-CB 3.41Å; Q292-R296 PolarHBondContact O-N 2.9Å; R293-R296 PolarHBondContact O-N 2.96Å; R293-R296 VanDerWaalsContact O-N 3.16Å; R296-D299 PolarHBondContact O-N 3.14Å; R296-Y300 WeakPolarHBondContact O-CB 3.38Å; R296-Y300 PolarHBondContact O-N 3.41Å
297D82.4Confident80Confident108 Ų108126.7 Ų126.758%0.57855%0.552SS**Hα-helixtrans-70.1-33.8173.4-71.4-25.5000111.4R293 H294 D295 K301R293-D297 PolarHBondContact O-N 3.07Å; H294-D297 PolarHBondContact O-N 2.98Å; D295-D297 VanDerWaalsContact C-N 3.35Å; D295-D297 PolarHBondContact O-N 3.17Å; D297-K301 WeakPolarHBondContact O-CB 3.14Å; D297-K301 PolarHBondContact O-N 2.85Å
298R85.3Confident80.8Confident129 Ų129125.8 Ų125.849%0.48755%0.554SS.*Hα-helixtrans-64.2-45.9169.6-173.3-164.9-69.3119.1-1.4110.7H294 D295 K301 T302H294-R298 PolarHBondContact CE1-NH2 3.35Å; H294-R298 PolarHBondContact O-N 2.65Å; D295-R298 WeakPolarHBondContact O-CA 3.09Å; D295-R298 WeakPolarHBondContact O-CB 3.11Å; D295-R298 PolarHBondContact O-N 2.94Å; D295-R298 VanDerWaalsContact O-N 3.14Å; D295-R298 IonicContact OD1-CZ 3.47Å; D295-R298 IonicContact OD1-NH1 2.75Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 2.66Å; R298-K301 PolarHBondContact O-N 3.01Å; R298-T302 WeakPolarHBondContact O-CB 3.04Å; R298-T302 PolarHBondContact O-N 2.91Å; R298-T302 PolarHBondContact O-OG1 3.21Å
299D83.6Confident81.5Confident101 Ų101128.1 Ų128.154%0.5456%0.559SS.*Hα-helixtrans-62.5-50.9180-64.9-21.2000110.8D295 R296 K301 T302 E303D295-D299 VanDerWaalsContact O-CG 3.23Å; D295-D299 PolarHBondContact O-N 3.42Å; R296-D299 PolarHBondContact O-N 3.14Å; D299-K301 VanDerWaalsContact C-N 3.3Å; D299-K301 PolarHBondContact O-N 2.74Å; D299-T302 CarbonylContact O-C 3.57Å; D299-T302 WeakPolarHBondContact O-CA 3.5Å; D299-T302 WeakPolarHBondContact O-CB 3.41Å; D299-T302 PolarHBondContact O-N 3.35Å; D299-E303 WeakPolarHBondContact O-CB 3.44Å; D299-E303 PolarHBondContact O-N 2.98Å
300Y81.3Confident81.9Confident149 Ų149127 Ų12758%0.58456%0.561SS**Hα-helixtrans-60.6-37177-177.7-111.7000112.8R296 T302 R304R296-Y300 WeakPolarHBondContact O-CB 3.38Å; R296-Y300 PolarHBondContact O-N 3.41Å; Y300-T302 VanDerWaalsContact C-N 3.31Å; Y300-T302 PolarHBondContact O-N 3.48Å; Y300-R304 VanDerWaalsContact O-CB 3.24Å; Y300-R304 WeakPolarHBondContact O-CB 3.33Å; Y300-R304 PolarHBondContact O-N 2.93Å
301K84.9Confident82.1Confident162 Ų162129 Ų12970%0.70456%0.561SS**Hα-helixtrans-68.1-30.9173.9-171.8176.7-177.5-179.10112.4D297 R298 D299 R305D297-K301 WeakPolarHBondContact O-CB 3.14Å; D297-K301 PolarHBondContact O-N 2.85Å; R298-K301 PolarHBondContact O-N 3.01Å; D299-K301 VanDerWaalsContact C-N 3.3Å; D299-K301 PolarHBondContact O-N 2.74Å; K301-R305 PolarHBondContact O-N 2.74Å
302T80.8Confident82.6Confident76 Ų76125 Ų12547%0.46656%0.556SS.*Hα-helixtrans-76.5-46.7177-55.70000110.9R298 D299 Y300 R304 R305 M306R298-T302 WeakPolarHBondContact O-CB 3.04Å; R298-T302 PolarHBondContact O-N 2.91Å; R298-T302 PolarHBondContact O-OG1 3.21Å; D299-T302 CarbonylContact O-C 3.57Å; D299-T302 WeakPolarHBondContact O-CA 3.5Å; D299-T302 WeakPolarHBondContact O-CB 3.41Å; D299-T302 PolarHBondContact O-N 3.35Å; Y300-T302 VanDerWaalsContact C-N 3.31Å; Y300-T302 PolarHBondContact O-N 3.48Å; T302-R304 PolarHBondContact O-N 3.46Å; T302-R305 WeakPolarHBondContact O-CB 3.22Å; T302-R305 PolarHBondContact O-N 2.87Å; T302-R305 VanDerWaalsContact O-N 3.09Å; T302-M306 WeakPolarHBondContact O-CG 3.42Å; T302-M306 PolarHBondContact O-N 2.93Å
303E85.1Confident83.1Confident123 Ų123127.1 Ų127.158%0.57556%0.564SS**Hα-helixtrans-56.6-47.6173.7-176173.3-135.300111.2D299 R305 M306 E307D299-E303 WeakPolarHBondContact O-CB 3.44Å; D299-E303 PolarHBondContact O-N 2.98Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 3.02Å; E303-M306 CarbonylContact O-C 3.56Å; E303-M306 WeakPolarHBondContact O-CB 3.49Å; E303-M306 PolarHBondContact O-N 3.28Å; E303-M306 VanDerWaalsContact O-N 3.07Å; E303-E307 PolarHBondContact O-N 3.48Å
304R84.3Confident83.4Confident161 Ų161123.7 Ų123.761%0.60856%0.555SS**Hα-helixtrans-59.6-35.4174.6-176.6175.3174.4-179.6-0.4113.4Y300 T302 E308Y300-R304 VanDerWaalsContact O-CB 3.24Å; Y300-R304 WeakPolarHBondContact O-CB 3.33Å; Y300-R304 PolarHBondContact O-N 2.93Å; T302-R304 PolarHBondContact O-N 3.46Å; R304-E308 WeakPolarHBondContact O-CB 3.36Å; R304-E308 PolarHBondContact O-N 3.25Å
305R86.9Confident83Confident194 Ų194123.8 Ų123.873%0.73256%0.555SS**Hα-helixtrans-70.4-35.8175.4-168.4-177.2-175.7-156.50.8111.4K301 T302 E303 E308 Y309K301-R305 PolarHBondContact O-N 2.74Å; T302-R305 WeakPolarHBondContact O-CB 3.22Å; T302-R305 PolarHBondContact O-N 2.87Å; T302-R305 VanDerWaalsContact O-N 3.09Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 3.02Å; R305-E308 PolarHBondContact O-N 3.39Å; R305-Y309 WeakPolarHBondContact O-CB 3.23Å; R305-Y309 PolarHBondContact O-N 3.07Å
306M85Confident83.1Confident121 Ų121124.3 Ų124.360%0.59656%0.558SS**Hα-helixtrans-70.1-39.1174.2-66.9-67-77.100111.9T302 E303 Y309 T310T302-M306 WeakPolarHBondContact O-CG 3.42Å; T302-M306 PolarHBondContact O-N 2.93Å; E303-M306 CarbonylContact O-C 3.56Å; E303-M306 WeakPolarHBondContact O-CB 3.49Å; E303-M306 PolarHBondContact O-N 3.28Å; E303-M306 VanDerWaalsContact O-N 3.07Å; M306-Y309 PolarHBondContact O-N 3.42Å; M306-T310 WeakPolarHBondContact O-CB 3.28Å; M306-T310 WeakPolarHBondContact O-CG2 3.48Å; M306-T310 PolarHBondContact O-N 3.3Å; M306-T310 PolarHBondContact O-OG1 2.97Å
307E85.3Confident83.1Confident88 Ų88118 Ų11841%0.41154%0.542SS..Hα-helixtrans-59.8-44.5169.1-75.1-157.1152.700111.9E303 T310 R311E303-E307 PolarHBondContact O-N 3.48Å; E307-T310 WeakPolarHBondContact CA-OG1 3.35Å; E307-T310 PolarHBondContact O-N 3.08Å; E307-T310 PolarHBondContact O-OG1 2.7Å; E307-R311 VanDerWaalsContact O-CB 3.3Å; E307-R311 WeakPolarHBondContact O-CB 3.35Å; E307-R311 WeakPolarHBondContact O-CD 3.27Å; E307-R311 WeakPolarHBondContact O-CG 3.23Å; E307-R311 PolarHBondContact O-N 3.27Å; E307-R311 IonicContact OE1-NH2 3.32Å; E307-R311 IonicContact OE2-CZ 3.15Å; E307-R311 IonicContact OE2-NE 2.7Å; E307-R311 IonicContact OE2-NH2 2.79Å; E307-R311 PolarHBondContact OE2-NH2 3.14Å
308E86.2Confident82.8Confident127 Ų127119.2 Ų119.259%0.59354%0.538SS*.Hα-helixtrans-64.3-46179.1-173.2162.9-147.600111.4R304 R305 T310 R311 V312R304-E308 WeakPolarHBondContact O-CB 3.36Å; R304-E308 PolarHBondContact O-N 3.25Å; R305-E308 PolarHBondContact O-N 3.39Å; E308-T310 PolarHBondContact O-N 3.45Å; E308-R311 PolarHBondContact O-N 2.96Å; E308-V312 WeakPolarHBondContact O-CG2 3.39Å; E308-V312 PolarHBondContact O-N 3.28Å
309Y85Confident82.3Confident162 Ų162118.7 Ų118.764%0.63554%0.542SS*.Hα-helixtrans-61.6-43.7176.7-171.8-93.1000112.4R305 M306 V312 K313R305-Y309 WeakPolarHBondContact O-CB 3.23Å; R305-Y309 PolarHBondContact O-N 3.07Å; M306-Y309 PolarHBondContact O-N 3.42Å; Y309-V312 PolarHBondContact O-N 2.67Å; Y309-K313 WeakPolarHBondContact O-CB 3.37Å; Y309-K313 PolarHBondContact O-N 2.75Å
310T82.3Confident81.8Confident80 Ų80121 Ų12149%0.49154%0.542SS..Hα-helixtrans-67.6-39.317748.40000112.3M306 E307 E308 K313 E314M306-T310 WeakPolarHBondContact O-CB 3.28Å; M306-T310 WeakPolarHBondContact O-CG2 3.48Å; M306-T310 PolarHBondContact O-N 3.3Å; M306-T310 PolarHBondContact O-OG1 2.97Å; E307-T310 WeakPolarHBondContact CA-OG1 3.35Å; E307-T310 PolarHBondContact O-N 3.08Å; E307-T310 PolarHBondContact O-OG1 2.7Å; E308-T310 PolarHBondContact O-N 3.45Å; T310-K313 PolarHBondContact O-N 3.3Å; T310-E314 WeakPolarHBondContact O-CB 3.45Å; T310-E314 PolarHBondContact O-N 3.48Å
311R81.3Confident81.6Confident145 Ų145121.4 Ų121.455%0.54754%0.543SS..Hα-helixtrans-62-41.9173.3-72.5165.1-170.4-165.76112.1E307 E308 E314 Q315E307-R311 VanDerWaalsContact O-CB 3.3Å; E307-R311 WeakPolarHBondContact O-CB 3.35Å; E307-R311 WeakPolarHBondContact O-CD 3.27Å; E307-R311 WeakPolarHBondContact O-CG 3.23Å; E307-R311 PolarHBondContact O-N 3.27Å; E307-R311 IonicContact OE1-NH2 3.32Å; E307-R311 IonicContact OE2-CZ 3.15Å; E307-R311 IonicContact OE2-NE 2.7Å; E307-R311 IonicContact OE2-NH2 2.79Å; E307-R311 PolarHBondContact OE2-NH2 3.14Å; E308-R311 PolarHBondContact O-N 2.96Å; R311-E314 PolarHBondContact O-N 2.91Å; R311-Q315 WeakPolarHBondContact O-CG 3.49Å; R311-Q315 PolarHBondContact O-N 2.79Å
312V84.4Confident80.9Confident91 Ų91120 Ų12055%0.55254%0.539SS*.Hα-helixtrans-65.1-45.3175.1170.80000111E308 Y309 E314 Q315 D316E308-V312 WeakPolarHBondContact O-CG2 3.39Å; E308-V312 PolarHBondContact O-N 3.28Å; Y309-V312 PolarHBondContact O-N 2.67Å; V312-E314 VanDerWaalsContact C-N 3.3Å; V312-E314 PolarHBondContact O-N 3.17Å; V312-Q315 PolarHBondContact O-N 2.9Å; V312-Q315 VanDerWaalsContact O-N 3.14Å; V312-D316 PolarHBondContact O-N 2.89Å
313K85.2Confident80.4Confident145 Ų145124.5 Ų124.563%0.6355%0.547SS*.Hα-helixtrans-60.9-37.9175.5-171.6171.7-178.3173.90112.2Y309 T310 A317Y309-K313 WeakPolarHBondContact O-CB 3.37Å; Y309-K313 PolarHBondContact O-N 2.75Å; T310-K313 PolarHBondContact O-N 3.3Å; K313-A317 WeakPolarHBondContact O-CB 3.33Å; K313-A317 PolarHBondContact O-N 2.97Å; K313-A317 VanDerWaalsContact O-N 3.08Å
314E80.3Confident79.6Confident93 Ų93123.2 Ų123.244%0.43554%0.542SS..Hα-helixtrans-71-34.8174.9-145.3-144.9148.400112.4T310 R311 V312 A317 R318T310-E314 WeakPolarHBondContact O-CB 3.45Å; T310-E314 PolarHBondContact O-N 3.48Å; R311-E314 PolarHBondContact O-N 2.91Å; V312-E314 VanDerWaalsContact C-N 3.3Å; V312-E314 PolarHBondContact O-N 3.17Å; E314-A317 PolarHBondContact O-N 2.9Å; E314-R318 VanDerWaalsContact CD-NE 3.34Å; E314-R318 WeakPolarHBondContact O-CB 3.48Å; E314-R318 WeakPolarHBondContact O-CG 3.25Å; E314-R318 PolarHBondContact O-N 3.36Å; E314-R318 IonicContact OE1-CZ 3.37Å; E314-R318 IonicContact OE1-NE 3.85Å; E314-R318 PolarHBondContact OE1-NE 3Å; E314-R318 IonicContact OE1-NH2 3.3Å; E314-R318 PolarHBondContact OE1-NH2 3.17Å; E314-R318 IonicContact OE2-CZ 2.71Å; E314-R318 IonicContact OE2-NE 3.77Å; E314-R318 IonicContact OE2-NH2 3.74Å; E314-R318 PolarHBondContact OE2-NH2 3.15Å
315Q74.8Confident79Confident115 Ų115122.3 Ų122.354%0.53754%0.542SS..Hα-helixtrans-66.5-42.4174.1-76.8-175.818.200112.5R311 V312 R318 Q319R311-Q315 WeakPolarHBondContact O-CG 3.49Å; R311-Q315 PolarHBondContact O-N 2.79Å; V312-Q315 PolarHBondContact O-N 2.9Å; V312-Q315 VanDerWaalsContact O-N 3.14Å; Q315-R318 PolarHBondContact O-N 3.44Å; Q315-Q319 WeakPolarHBondContact O-CB 3.24Å; Q315-Q319 WeakPolarHBondContact O-CG 3.41Å; Q315-Q319 PolarHBondContact O-N 3.44Å
316D81.7Confident77.7Confident72 Ų72116.7 Ų116.739%0.38553%0.532SS..Hα-helixtrans-62.9-44.4173-174.752.1000110.9V312 R318 Q319 R320V312-D316 PolarHBondContact O-N 2.89Å; D316-R318 VanDerWaalsContact C-N 3.29Å; D316-R318 PolarHBondContact O-N 3.31Å; D316-Q319 PolarHBondContact O-N 2.81Å; D316-R320 WeakPolarHBondContact O-CB 3.23Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 2.84Å; D316-R320 IonicContact OD1-NE 2.63Å; D316-R320 IonicContact OD2-CZ 3.92Å; D316-R320 IonicContact OD2-NE 3.7Å; D316-R320 PolarHBondContact OD2-NE 3.18Å; D316-R320 IonicContact OD2-NH2 3.15Å; D316-R320 PolarHBondContact OD2-NH2 3.24Å
317A78.7Confident76.6Confident35 Ų35119.4 Ų119.429%0.28954%0.536SS..Hα-helixtrans-60.5-35.1175.800000113.2K313 E314 R321K313-A317 WeakPolarHBondContact O-CB 3.33Å; K313-A317 PolarHBondContact O-N 2.97Å; K313-A317 VanDerWaalsContact O-N 3.08Å; E314-A317 PolarHBondContact O-N 2.9Å; A317-R321 WeakPolarHBondContact O-CD 3.2Å; A317-R321 VanDerWaalsContact O-CG 3.24Å; A317-R321 WeakPolarHBondContact O-CG 3.41Å; A317-R321 PolarHBondContact O-N 3.25Å
318R75.9Confident75Confident134 Ų134121.5 Ų121.551%0.50655%0.55SS..Hα-helixtrans-69.7-46.7172.7-72.9169.1-177.6-156.611.7111.5E314 Q315 D316 R320 R321 E322E314-R318 VanDerWaalsContact CD-NE 3.34Å; E314-R318 WeakPolarHBondContact O-CB 3.48Å; E314-R318 WeakPolarHBondContact O-CG 3.25Å; E314-R318 PolarHBondContact O-N 3.36Å; E314-R318 IonicContact OE1-CZ 3.37Å; E314-R318 IonicContact OE1-NE 3.85Å; E314-R318 PolarHBondContact OE1-NE 3Å; E314-R318 IonicContact OE1-NH2 3.3Å; E314-R318 PolarHBondContact OE1-NH2 3.17Å; E314-R318 IonicContact OE2-CZ 2.71Å; E314-R318 IonicContact OE2-NE 3.77Å; E314-R318 IonicContact OE2-NH2 3.74Å; E314-R318 PolarHBondContact OE2-NH2 3.15Å; Q315-R318 PolarHBondContact O-N 3.44Å; D316-R318 VanDerWaalsContact C-N 3.29Å; D316-R318 PolarHBondContact O-N 3.31Å; R318-R320 PolarHBondContact O-N 2.74Å; R318-R321 PolarHBondContact O-N 2.95Å; R318-E322 PolarHBondContact O-N 3.01Å
319Q75.8Confident73.2Confident119 Ų119125.1 Ų125.156%0.55656%0.558SS**Hα-helixtrans-62.2-39.6177.8-73.6179.155.200112.4Q315 D316 E322 R323Q315-Q319 WeakPolarHBondContact O-CB 3.24Å; Q315-Q319 WeakPolarHBondContact O-CG 3.41Å; Q315-Q319 PolarHBondContact O-N 3.44Å; D316-Q319 PolarHBondContact O-N 2.81Å; Q319-E322 PolarHBondContact O-N 3.3Å; Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 2.82Å
320R73.8Confident71.4Confident148 Ų148124.6 Ų124.656%0.55857%0.565SS**Hα-helixtrans-58.5-50.8171.9-72.9179.2-170.7-122.31.5111.7D316 R318 E322 R323 E324D316-R320 WeakPolarHBondContact O-CB 3.23Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 2.84Å; D316-R320 IonicContact OD1-NE 2.63Å; D316-R320 IonicContact OD2-CZ 3.92Å; D316-R320 IonicContact OD2-NE 3.7Å; D316-R320 PolarHBondContact OD2-NE 3.18Å; D316-R320 IonicContact OD2-NH2 3.15Å; D316-R320 PolarHBondContact OD2-NH2 3.24Å; R318-R320 PolarHBondContact O-N 2.74Å; R320-E322 VanDerWaalsContact C-N 3.29Å; R320-E322 PolarHBondContact O-N 3.45Å; R320-R323 CarbonylContact O-C 3.6Å; R320-R323 WeakPolarHBondContact O-CA 3.38Å; R320-R323 WeakPolarHBondContact O-CB 3.48Å; R320-R323 PolarHBondContact O-N 3.36Å; R320-E324 WeakPolarHBondContact O-CG 3.25Å; R320-E324 PolarHBondContact O-N 3.42Å
321R75.2Confident69.6Low158 Ų158126.5 Ų126.560%0.59658%0.578SS**Hα-helixtrans-62.1-32178-72.4168.5176.9172.8-0.3113.5A317 R318 E324 K325A317-R321 WeakPolarHBondContact O-CD 3.2Å; A317-R321 VanDerWaalsContact O-CG 3.24Å; A317-R321 WeakPolarHBondContact O-CG 3.41Å; A317-R321 PolarHBondContact O-N 3.25Å; R318-R321 PolarHBondContact O-N 2.95Å; R321-E324 WeakPolarHBondContact CA-OE2 3.41Å; R321-K325 WeakPolarHBondContact O-CB 3.3Å; R321-K325 WeakPolarHBondContact O-CD 3.14Å; R321-K325 VanDerWaalsContact O-CG 3.25Å; R321-K325 WeakPolarHBondContact O-CG 3.49Å; R321-K325 PolarHBondContact O-N 3.18Å; R321-K325 VanDerWaalsContact O-N 3.12Å
322E70.8Confident67.5Low133 Ų133124.9 Ų124.962%0.62159%0.59SS**Hα-helixtrans-73.9-38.6172.6-73.2-178.6172.800111.8R318 Q319 R320 K325 S326R318-E322 PolarHBondContact O-N 3.01Å; Q319-E322 PolarHBondContact O-N 3.3Å; R320-E322 VanDerWaalsContact C-N 3.29Å; R320-E322 PolarHBondContact O-N 3.45Å; E322-K325 PolarHBondContact O-N 3.35Å; E322-S326 WeakPolarHBondContact O-CB 3.24Å; E322-S326 PolarHBondContact O-N 2.88Å
323R70.5Confident65.6Low170 Ų170128.3 Ų128.364%0.64261%0.605SS**Hα-helixtrans-66.8-37.2175.3-162174.9-171.1-174.32.4112.2Q319 R320 S326 R327Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 2.82Å; R320-R323 CarbonylContact O-C 3.6Å; R320-R323 WeakPolarHBondContact O-CA 3.38Å; R320-R323 WeakPolarHBondContact O-CB 3.48Å; R320-R323 PolarHBondContact O-N 3.36Å; R323-S326 WeakPolarHBondContact CA-OG 3.47Å; R323-S326 PolarHBondContact O-N 3.44Å; R323-S326 PolarHBondContact O-OG 2.86Å; R323-R327 WeakPolarHBondContact O-CG 3.5Å; R323-R327 PolarHBondContact O-N 3.16Å
324E69.3Low63.3Low97 Ų97128.9 Ų128.945%0.45362%0.615SS.*Hα-helixtrans-62.9-54170.7-73.8153.3-170.300110.7R320 R321 S326 R327 D328R320-E324 WeakPolarHBondContact O-CG 3.25Å; R320-E324 PolarHBondContact O-N 3.42Å; R321-E324 WeakPolarHBondContact CA-OE2 3.41Å; E324-S326 PolarHBondContact O-N 3.48Å; E324-R327 WeakPolarHBondContact O-CA 3.43Å; E324-R327 WeakPolarHBondContact O-CB 3.45Å; E324-R327 PolarHBondContact O-N 2.99Å; E324-D328 PolarHBondContact O-N 2.94Å; E324-D328 VanDerWaalsContact O-N 3.17Å
325K70.1Confident61.1Low142 Ų142127.9 Ų127.962%0.61763%0.629SS**Hα-helixtrans-57.7-21.6173.7-75.2172.7-179.9175.90114.8R321 E322R321-K325 WeakPolarHBondContact O-CB 3.3Å; R321-K325 WeakPolarHBondContact O-CD 3.14Å; R321-K325 VanDerWaalsContact O-CG 3.25Å; R321-K325 WeakPolarHBondContact O-CG 3.49Å; R321-K325 PolarHBondContact O-N 3.18Å; R321-K325 VanDerWaalsContact O-N 3.12Å; E322-K325 PolarHBondContact O-N 3.35Å
326S61Low59.7Low75 Ų75128.6 Ų128.652%0.52464%0.644SS.*Hα-helixtrans-80.9-21.4173.881.20000113.7E322 R323 E324E322-S326 WeakPolarHBondContact O-CB 3.24Å; E322-S326 PolarHBondContact O-N 2.88Å; R323-S326 WeakPolarHBondContact CA-OG 3.47Å; R323-S326 PolarHBondContact O-N 3.44Å; R323-S326 PolarHBondContact O-OG 2.86Å; E324-S326 PolarHBondContact O-N 3.48Å
327R62Low58.2Low179 Ų179135.1 Ų135.168%0.67566%0.663SS**Hα-helixtrans-85.8-36.6176.3-70.7165.5166.4178.8-7.5111.9R323 E324 R329R323-R327 WeakPolarHBondContact O-CG 3.5Å; R323-R327 PolarHBondContact O-N 3.16Å; E324-R327 WeakPolarHBondContact O-CA 3.43Å; E324-R327 WeakPolarHBondContact O-CB 3.45Å; E324-R327 PolarHBondContact O-N 2.99Å; R327-R329 PolarHBondContact O-N 3.27Å
328D51.2Low56.5Low131 Ų131140.9 Ų140.970%0.70169%0.689SS**SBendtrans-73-8.8179.7-55.6-30.4000113.2E324 I330E324-D328 PolarHBondContact O-N 2.94Å; E324-D328 VanDerWaalsContact O-N 3.17Å; D328-I330 PolarHBondContact O-N 3.34Å; D328-I330 VanDerWaalsContact O-N 3.17Å
329R49.1Very low54.9Low203 Ų203137.4 Ų137.477%0.76670%0.695SS**  trans-82.387.4171.7-75-178.7178.4-166.2-1110.3R327 P331R327-R329 PolarHBondContact O-N 3.27Å; R329-P331 WeakPolarHBondContact O-CD 3.49Å
330I46.8Very low53.2Low151 Ų151139.4 Ų139.477%0.77471%0.71SS**  trans-50.3123161.2-58174.2000108D328 S332D328-I330 PolarHBondContact O-N 3.34Å; D328-I330 VanDerWaalsContact O-N 3.17Å; I330-S332 PolarHBondContact O-N 3.03Å; I330-S332 VanDerWaalsContact O-N 3.15Å
331P43.3Very low51.7Low120 Ų120143.1 Ų143.178%0.77972%0.724SS**  trans-69.1110.1172.3-1832.4000109.5R329 D333R329-P331 WeakPolarHBondContact O-CD 3.49Å; P331-D333 PolarHBondContact O-N 3.43Å
332S38.2Very low50.2Low112 Ų112144 Ų14478%0.78373%0.734SS**  trans-67.8122.5165.1-64.80000108.9I330 D334I330-S332 PolarHBondContact O-N 3.03Å; I330-S332 VanDerWaalsContact O-N 3.15Å; S332-D334 PolarHBondContact O-N 3.31Å; S332-D334 VanDerWaalsContact O-N 3.14Å
333D44.2Very low48.8Very low162 Ų162149.3 Ų149.387%0.86675%0.748SS**  trans-82.983.9179.7-171.729.6000110.7P331P331-D333 PolarHBondContact O-N 3.43Å
334D37.8Very low47.3Very low158 Ų158150 Ų15085%0.84576%0.759SS**  trans-144.1131.5165.5-94.9-52.7000108.6S332S332-D334 PolarHBondContact O-N 3.31Å; S332-D334 VanDerWaalsContact O-N 3.14Å
335G33.8Very low45.9Very low72 Ų72154.7 Ų154.774%0.74278%0.778SS**  trans-86.4-160.6-165.700000116.2
336P44.8Very low44.3Very low129 Ų129155.1 Ų155.184%0.83879%0.787SS**  cis-123-175.26.642.5-29.6000114.6
337R50Low43.5Very low209 Ų209163.2 Ų163.279%0.78981%0.806SS**  trans-65.8139.4166.6-62.6173.1173171.1-1.2111.1
338D43.1Very low42.2Very low157 Ų157163.1 Ų163.184%0.8481%0.813SS**  -173.4146.997.2-99.9-29.1000112.4
339G43.2Very low41.5Very low61 Ų61168.4 Ų168.463%0.62982%0.823SS**  trans157.1146.9179.100000115.1R341G339-R341 PolarHBondContact O-N 3.34Å
340D38.7Very low40.8Very low161 Ų161163.1 Ų163.186%0.86182%0.823SS**  trans53.840.8156-69.11.3000121.1H342D340-H342 PolarHBondContact O-N 2.91Å
341R42.9Very low40.4Very low226 Ų226167.3 Ų167.385%0.85383%0.829SS**  trans-73.144.2155.2-60.2-160.9-150.2173.711.2113.3G339G339-R341 PolarHBondContact O-N 3.34Å
342H43.5Very low39.9Very low177 Ų177166.9 Ų166.982%0.81983%0.829SS**  trans-140.327.8-169-131.676.3000117.8D340D340-H342 PolarHBondContact O-N 2.91Å
343R41.4Very low39.7Very low243 Ų243172.6 Ų172.692%0.91783%0.833SS**SBendtrans-133.611.9177.4-139174.8-174.1174.72.1117.3
344Q40.1Very low39.1Very low184 Ų184172.1 Ų172.186%0.8683%0.831SS**SBendtrans-116.2-5.1-177.1-77.6-172.8-22.200115.7D346Q344-D346 PolarHBondContact O-N 3.43Å
345K38.8Very low38.9Very low196 Ų196176 Ų17685%0.85283%0.834SS**G310 helixtrans-77.8-19.9-166-135.4174.5-174.9179.70115.4
346D37.8Very low38.7Very low152 Ų152175.5 Ų175.581%0.81383%0.829SS**G310 helixtrans-89-14.4-170.5-53.7-53.7000114.8Q344 Q348Q344-D346 PolarHBondContact O-N 3.43Å; D346-Q348 PolarHBondContact O-N 2.96Å
347R42.3Very low38.3Very low245 Ų245176.8 Ų176.893%0.92583%0.827SS**G310 helixtrans-82.2-5.9-171.9-91.6-172.5173.4-175.7-1.4116.3
348Q36.5Very low37.5Very low176 Ų176175 Ų17582%0.82283%0.834SS**G310 helixtrans-111.4-1.9-175.3-69.8-164.4-18.400115.7D346 A350D346-Q348 PolarHBondContact O-N 2.96Å; Q348-A350 VanDerWaalsContact C-N 3.27Å; Q348-A350 PolarHBondContact O-N 3.25Å; Q348-A350 VanDerWaalsContact O-N 3.16Å
349R36.5Very low37.1Very low243 Ų243175.4 Ų175.492%0.91783%0.833SS**THydrogen-bonded Turntrans-85.121.7-174.2-146.1-174.4-175.8-159.20.3115.6
350A34.3Very low36.5Very low92 Ų92179.7 Ų179.776%0.7684%0.841SS**THydrogen-bonded Turntrans-1326-168.500000116Q348Q348-A350 VanDerWaalsContact C-N 3.27Å; Q348-A350 PolarHBondContact O-N 3.25Å; Q348-A350 VanDerWaalsContact O-N 3.16Å
351R38Very low36Very low239 Ų239175.9 Ų175.990%0.90283%0.827SS**SBendtrans-144.859.7-176.9-69.5-172177.6162.2-1.6113.9
352S32.3Very low35.6Very low111 Ų111172.7 Ų172.778%0.77683%0.826SS**  trans-170.181.1167.140.90000113.2
353R33.1Very low35Very low232 Ų232172.1 Ų172.188%0.87582%0.824SS**  trans-137.5155.7149.7-78-163.6169.9171.2-3.6108.8
354D32.6Very low34.5Very low152 Ų152166.5 Ų166.581%0.81382%0.822SS**  trans66.9129.7-177.9-50.6-31.8000116
355R34Very low33.9Very low239 Ų239160.5 Ų160.590%0.90281%0.809SS**  cis172.7138-49.2165.2-172.9-95.3-178.3-8.9107
356G29.8Very low33.3Very low62 Ų62162.4 Ų162.464%0.63981%0.813SS**  trans126.595.3-179.300000108.6
357L36.3Very low32.8Very low155 Ų155159.8 Ų159.881%0.81281%0.806SS**  61.5105.264.4-55.3178.7000111.8
358D32.4Very low32.3Very low172 Ų172158.3 Ų158.392%0.9280%0.801SS**  -148.8173.792-98.5-30000111.4
359M35.6Very low31.9Very low166 Ų166156.5 Ų156.582%0.81880%0.797SS**  trans-137.9122.3-171.3-117.8-78.1-68.700109.3
360D30.3Very low31.7Very low151 Ų151155.4 Ų155.481%0.80779%0.793SS**  trans179.7157.9160.6-102.4-18.8000109.6
361S28.4Very low32.1Very low81 Ų81156.5 Ų156.557%0.56679%0.792SS**  cis-169.8133.8-33.7-115.20000108.5
362L34Very low31.7Very low158 Ų158154.2 Ų154.283%0.82778%0.783SS**  trans60-179.8164.3-57.4170.4000115.5
363E31Very low31.7Very low165 Ų165153 Ų15377%0.77177%0.768SS**  -161.8149.8-56.1179.4170.3-151.500108.3
364S30.1Very low31.5Very low125 Ų125149.9 Ų149.987%0.87476%0.763SS**  trans67.7157.1173.4-133.30000115.8
365G26.8Very low31.3Very low58 Ų58154.1 Ų154.160%0.59877%0.768SS**  cis-168.4164.2-2.900000112.7
366Y26.4Very low31Very low236 Ų236145.6 Ų145.693%0.92576%0.755SS**  trans-52151.8174.4-45.4-93.5000111.5
367S27.3Very low30.8Very low97 Ų97147.9 Ų147.968%0.67876%0.761SS**  179.4164.452.3-162.60000111.5
368R31.5Very low30.5Very low214 Ų214152.3 Ų152.381%0.80877%0.767SS**  trans40.3146.8144.8-78.4-176.4-177.8168.61.5122
369D29.9Very low30.4Very low139 Ų139152.4 Ų152.474%0.74376%0.762SS**  cis-151.8176.817.6-110.5-36.7000113.7
370R32.2Very low30.5Very low220 Ų220153.7 Ų153.783%0.8377%0.766SS**  trans-90.8165.3170.1-107.4-177.6-175.5172.42.8111
371P41.2Very low30.6Very low115 Ų115155.9 Ų155.975%0.74777%0.771SS**  cis-131.2170.442.536.8-16.2000114.4
372R31.3Very low30.8Very low190 Ų190161.1 Ų161.172%0.71779%0.787SS**  58126.660.9-122.5-170.1171.7-118.58111.7
373D32.4Very low30.8Very low87 Ų87161.6 Ų161.647%0.46579%0.79SS.*  cis-160.6158.243.2-114.8-68.1000113.7
374Q28.2Very low30.8Very low165 Ų165161.3 Ų161.377%0.77179%0.794SS**  trans56.5170.8150.5-69.5156.36100121.4
375R29.2Very low30.9Very low241 Ų241158.4 Ų158.491%0.90978%0.784SS**  cis-177.2122-45.2-176.9-177.3-158.7-95.12.9108.4
376G27Very low31Very low60 Ų60159.7 Ų159.762%0.61980%0.797SS**  trans171.2126.9174.400000108.3
377S26.2Very low31.3Very low110 Ų110160.4 Ų160.477%0.76980%0.798SS**  67.2104.550.6-146.90000111.5
378W28.9Very low31.8Very low249 Ų249165.9 Ų165.994%0.94381%0.81SS**  trans-116.8116.8167.3-84.186.5000106.8
379E31.1Very low31.9Very low173 Ų173160.6 Ų160.681%0.80881%0.812SS**  trans-96.2169.4166.9-69.7173.8129.500108.7
380E37.6Very low32.2Very low194 Ų194166.1 Ų166.191%0.90782%0.822SS**  trans-72.6141170.8-59.3167.8124.300109.7
381E32.2Very low32.1Very low196 Ų196160.8 Ų160.892%0.91682%0.819SS**  trans-155.7163.4139.1-128.7177.5-157.300111.3
382E31.9Very low31.8Very low191 Ų191163.4 Ų163.489%0.89382%0.821SS**  trans-93.3155.2-173-53.4178.9130.600111.3
383D33.4Very low31.9Very low169 Ų169163.3 Ų163.390%0.90483%0.829SS**  trans-140.9152.2162.1-166.719.9000111
384D32.3Very low31.9Very low159 Ų159169.7 Ų169.785%0.8585%0.846SS**  trans-117.9177.6-156.6-161.6-10.6000112.2
385G31.3Very low32Very low64 Ų64169.5 Ų169.566%0.6685%0.849SS**  trans104.639.3155.300000118.7
386G30.5Very low31.9Very low85 Ų85165.1 Ų165.188%0.87684%0.838SS**  trans-95.421.5-179.800000118.5K388G386-K388 PolarHBondContact O-N 3.21Å
387R32.8Very low32.1Very low250 Ų250167.7 Ų167.794%0.94385%0.846SS**  trans-71.4112.1-165.4-66.5-173.2-176-170.43115.5
388K37.1Very low32.3Very low212 Ų212167.6 Ų167.692%0.92285%0.846SS**  trans-141.8100.9149.1-101.4176.9-174.6168.20111.7G386G386-K388 PolarHBondContact O-N 3.21Å
389A32.9Very low33Very low103 Ų103161.4 Ų161.485%0.85184%0.838SS**  trans-90.1137.4178.500000112.5
390R36.3Very low33Very low256 Ų256159.8 Ų159.897%0.96684%0.839SS**  trans-134.1143.9145.2-80-163.9170.3-165.1-3.2108.8
391S30.9Very low33Very low108 Ų108159.2 Ų159.276%0.75584%0.837SS**  trans-93.5148.8-170.845.10000112.2
392Q34.5Very low33.1Very low170 Ų170154.7 Ų154.779%0.79482%0.822SS**  -171.5123.4108.9-100.6174.9-2.400113.9
393Q34.1Very low32.9Very low188 Ų188155.2 Ų155.288%0.87982%0.822SS**  trans63.5162.7147.6-63.3-174.3-1900120.8
394R31.5Very low32.9Very low221 Ų221153.3 Ų153.383%0.83481%0.812SS**  trans-117.6157.1-176.8-59.9174171.5-165.7-2.4108.9
395I31.3Very low32.8Very low161 Ų161151.4 Ų151.483%0.82681%0.806SS**  179.3160.9116.6-92.7159.3000111.4
396H27.2Very low32.9Very low149 Ų149157.4 Ų157.469%0.6981%0.814SS**  trans-76.8143.9-162.2-56.4-93.8000116.7
397S30.5Very low33Very low113 Ų113158 Ų15879%0.7981%0.811SS**  61.2141127.5-55.20000124.4
398S29.8Very low33Very low108 Ų108154 Ų15476%0.75581%0.808SS**  trans82.1129.9154.3-153.10000119.5
399P44.3Very low32.7Very low119 Ų119147.3 Ų147.377%0.77380%0.8SS**  trans-83.4170.2164.936.4-34.3000112.4
400V31.5Very low32.6Very low139 Ų139151.6 Ų151.684%0.84280%0.802SS**  trans-130.6161.1179.6167.90000109.7
401E37Very low32.3Very low182 Ų182143.8 Ų143.885%0.8579%0.792SS**  trans-79.4-155.1-172-50.1178.6125.100114.9
402V33.5Very low32.4Very low101 Ų101150.9 Ų150.961%0.61280%0.803SS**  trans83.9119.9173.8-161.90000112.7
403F28.7Very low32.2Very low202 Ų202146.6 Ų146.689%0.88680%0.804SS**  -143.1164.961.2-104.1-79.2000117.6
404D31.9Very low32Very low129 Ų129141.5 Ų141.569%0.6980%0.802SS**  trans-99.3151.1-166.2-75.3-73000118.3
405V31.8Very low32.2Very low119 Ų119135.7 Ų135.772%0.72180%0.801SS**  trans27.2120.9131.4-170.10000121.4
406F32.1Very low32.5Very low190 Ų190139.7 Ų139.783%0.83381%0.806SS**  trans8.4138146-68.3-92.4000123.1
407A33.7Very low32.9Very low98 Ų98139.4 Ų139.481%0.8181%0.805SS**  trans-145.6154.5140.900000111.3
408N33.3Very low32.9Very low165 Ų165140.8 Ų140.888%0.88280%0.802SS**  trans-105.5153.7179.9-69.9-62.2000111.9
409G29.8Very low33.1Very low73 Ų73145.3 Ų145.375%0.75380%0.803SS**  trans177.283.9173.300000118.3
410E30.6Very low32.4Very low192 Ų192148 Ų14890%0.89781%0.805SS**  trans51.1126.6146.5-54.4-161.213300124.6
411A30.9Very low32.5Very low93 Ų93147.8 Ų147.877%0.76980%0.803SS**  trans60.699.5131.400000122.7
412R32.6Very low32.1Very low256 Ų256144.6 Ų144.697%0.96679%0.792SS**  -162.7149.5108.2-110.1173.3175.3-177.4-1.7112.2
413G30.4Very low32.1Very low81 Ų81148 Ų14884%0.83580%0.799SS**  trans-99.6164.7-17400000114.9
414G29.6Very low32.3Very low80 Ų80142.4 Ų142.483%0.82580%0.798SS**  trans-17796.8174.100000111.4
415A36.1Very low32.3Very low99 Ų99142.3 Ų142.382%0.81881%0.807SS**  trans-85142.7-177.200000112.6
416R36.8Very low32.5Very low245 Ų245140.6 Ų140.693%0.92581%0.813SS**  trans-163.8126.9154.3-107.2158.5-163.5-155.71.2110.9
417E35.1Very low32.4Very low143 Ų143136.9 Ų136.967%0.66881%0.811SS**  trans-71138.9162.7-75.5-177.898.900109.8R419E417-R419 IonicContact OE1-CZ 2.74Å; E417-R419 IonicContact OE1-NE 2.67Å; E417-R419 PolarHBondContact OE1-NE 2.81Å; E417-R419 IonicContact OE1-NH2 2.74Å; E417-R419 PolarHBondContact OE1-NH2 2.95Å
418I31.9Very low32.7Very low143 Ų143139.8 Ų139.873%0.73381%0.811SS**  trans-135.5125140.4-59.5-177.2000106.7
419R32.9Very low33.1Very low203 Ų203139.2 Ų139.277%0.76681%0.807SS**  trans-100.1126.7169.4-55.1-179.6-161.9-175.24.6108.3E417E417-R419 IonicContact OE1-CZ 2.74Å; E417-R419 IonicContact OE1-NE 2.67Å; E417-R419 PolarHBondContact OE1-NE 2.81Å; E417-R419 IonicContact OE1-NH2 2.74Å; E417-R419 PolarHBondContact OE1-NH2 2.95Å
420H29.4Very low33.7Very low176 Ų176140.5 Ų140.582%0.81580%0.802SS**  trans-132.3130159.1-78.7-58.3000110.3
421V33.7Very low34.3Very low134 Ų134139.1 Ų139.181%0.81280%0.795SS**  trans-104.2128.7167.8172.30000105.4
422D29.8Very low34.8Very low115 Ų115141.5 Ų141.562%0.61580%0.801SS**  175.6163.5110.4-133.8-30.7000114.2
423K33.5Very low35.4Very low173 Ų173137.6 Ų137.675%0.75279%0.793SS**  trans43.988152.4-72.5139.9-165.4155.70120.4
424G32.8Very low36.2Very low84 Ų84143 Ų14387%0.86679%0.79SS**  34.3122.9116.100000121.9
425S31.8Very low37.1Very low126 Ų126141.1 Ų141.188%0.88177%0.771SS**  trans-132.6148.1148.958.10000109.2
426G36.6Very low37.6Very low83 Ų83143.6 Ų143.686%0.85677%0.769SS**  trans-83.3143.5-179.800000112.2
427S29.8Very low38.5Very low113 Ų113135.4 Ų135.479%0.7975%0.747SS**  trans-127.1133.8165.9-166.30000109.6
428I39.8Very low39.6Very low159 Ų159135.1 Ų135.182%0.81575%0.745SS**  trans-89.7124-177.9-63.1164.6000107.8
429I41.5Very low40.7Very low153 Ų153131.5 Ų131.579%0.78574%0.737SS**  trans-112.2114.7170.5-57.3179.1000107.5
430P41.4Very low41.7Very low100 Ų100125.6 Ų125.665%0.64972%0.723SS**  trans-81.7163.2178.632.9-34.2000113.2
431E44.5Very low43.1Very low163 Ų163123 Ų12376%0.76271%0.71SS**  trans-43.4128.6-178.2-57.6164.2128.300115.5
432T40.8Very low44.1Very low143 Ų143118.1 Ų118.188%0.87769%0.686SS**  trans-14314.2164.937.90000113.9
433E45.3Very low45.2Very low174 Ų174118.2 Ų118.281%0.81369%0.686SS**  trans-95.80.1-177.6-149.1174.5173.100114.4G435E433-G435 PolarHBondContact O-N 3.16Å; E433-G435 VanDerWaalsContact O-N 3.13Å
434Y46.6Very low46.4Very low194 Ų194113.9 Ų113.976%0.76167%0.674SS**SBendtrans-8769.6176-74-78.3000112.2
435G48.7Very low47.6Very low41 Ų41114.7 Ų114.742%0.42366%0.659SS.*SBendtrans-165.5-31.7172.700000115.6E433 T437E433-G435 PolarHBondContact O-N 3.16Å; E433-G435 VanDerWaalsContact O-N 3.13Å; G435-T437 PolarHBondContact O-N 3.14Å
436L47.3Very low48.9Very low150 Ų150114.2 Ų114.279%0.78565%0.646SS**Hα-helixtrans-75.8-23.8-174.3-141.875000113.9T440L436-T440 PolarHBondContact O-OG1 3.41Å
437T55Low50.5Low74 Ų74115.2 Ų115.245%0.45463%0.632SS.*Hα-helixtrans-90.6-9.5-17766.80000114.3G435 T440 K441G435-T437 PolarHBondContact O-N 3.14Å; T437-T440 PolarHBondContact O-OG1 3.32Å; T437-K441 VanDerWaalsContact O-CD 3.23Å; T437-K441 WeakPolarHBondContact O-CD 3.47Å; T437-K441 WeakPolarHBondContact O-CE 3.3Å; T437-K441 VanDerWaalsContact O-CG 3.23Å; T437-K441 WeakPolarHBondContact O-CG 3.42Å
438E58.4Low52.5Low136 Ų136114.5 Ų114.564%0.63662%0.618SS**Hα-helixtrans-86-41.6177.8-59.8-167.1156.100111T440 K441 G442E438-T440 VanDerWaalsContact C-N 3.3Å; E438-T440 PolarHBondContact O-N 3.12Å; E438-K441 PolarHBondContact O-N 2.65Å; E438-G442 PolarHBondContact O-N 3.3Å
439A55.5Low54.2Low67 Ų67115.1 Ų115.155%0.55461%0.61SS**Hα-helixtrans-58.8-39.6174.400000112.6G442 L443A439-G442 PolarHBondContact O-N 3.35Å; A439-L443 PolarHBondContact O-N 2.92Å; A439-L443 VanDerWaalsContact O-N 3.15Å
440T54.3Low56Low80 Ų80112.9 Ų112.949%0.49160%0.597SS.*Hα-helixtrans-73.5-36179.450.40000113.2L436 T437 E438 G442 L443 T444L436-T440 PolarHBondContact O-OG1 3.41Å; T437-T440 PolarHBondContact O-OG1 3.32Å; E438-T440 VanDerWaalsContact C-N 3.3Å; E438-T440 PolarHBondContact O-N 3.12Å; T440-G442 VanDerWaalsContact C-N 3.32Å; T440-L443 PolarHBondContact O-N 3.3Å; T440-T444 PolarHBondContact O-N 3.28Å
441K57.3Low57.8Low122 Ų122113.3 Ų113.353%0.5359%0.59SS.*Hα-helixtrans-66.3-34.5169.2-68.9167.2-169.8164.90112T437 E438 L443 T444 N445T437-K441 VanDerWaalsContact O-CD 3.23Å; T437-K441 WeakPolarHBondContact O-CD 3.47Å; T437-K441 WeakPolarHBondContact O-CE 3.3Å; T437-K441 VanDerWaalsContact O-CG 3.23Å; T437-K441 WeakPolarHBondContact O-CG 3.42Å; E438-K441 PolarHBondContact O-N 2.65Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 2.94Å; K441-T444 PolarHBondContact O-N 3.42Å; K441-T444 PolarHBondContact O-OG1 3.35Å; K441-N445 WeakPolarHBondContact O-CB 3.47Å; K441-N445 PolarHBondContact O-N 2.89Å; K441-N445 PolarHBondContact O-ND2 2.81Å; K441-N445 PolarHBondContact O-OD1 3.36Å
442G55.1Low59.8Low31 Ų31110.8 Ų110.832%0.3258%0.578SS.*Hα-helixtrans-58.1-43.517200000112.2E438 A439 T440 N445 L446E438-G442 PolarHBondContact O-N 3.3Å; A439-G442 PolarHBondContact O-N 3.35Å; T440-G442 VanDerWaalsContact C-N 3.32Å; G442-N445 PolarHBondContact O-N 3.07Å; G442-L446 WeakPolarHBondContact O-CG 3.32Å; G442-L446 PolarHBondContact O-N 3.04Å
443L52.8Low61.9Low117 Ų117109 Ų10961%0.61356%0.563SS**Hα-helixtrans-63.6-44.6176.9-69.3168.8000112.7A439 T440 K441 N445 L446 D447A439-L443 PolarHBondContact O-N 2.92Å; A439-L443 VanDerWaalsContact O-N 3.15Å; T440-L443 PolarHBondContact O-N 3.3Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 2.94Å; L443-N445 VanDerWaalsContact C-N 3.31Å; L443-N445 PolarHBondContact O-N 2.81Å; L443-L446 PolarHBondContact O-N 3.27Å; L443-D447 PolarHBondContact O-N 3.33Å
444T58.6Low63.9Low81 Ų81105.2 Ų105.250%0.49754%0.544SS..Hα-helixtrans-66.3-33.6177.252.80000112.8T440 K441 D447 L448T440-T444 PolarHBondContact O-N 3.28Å; K441-T444 PolarHBondContact O-N 3.42Å; K441-T444 PolarHBondContact O-OG1 3.35Å; T444-D447 PolarHBondContact O-N 2.87Å; T444-L448 WeakPolarHBondContact O-CB 3.32Å; T444-L448 PolarHBondContact O-N 3.18Å
445N58.1Low66Low102 Ų102100.3 Ų100.355%0.54553%0.531SS..Hα-helixtrans-74.8-28.4177.3-66.7-4.9000112.3K441 G442 L443 R449K441-N445 WeakPolarHBondContact O-CB 3.47Å; K441-N445 PolarHBondContact O-N 2.89Å; K441-N445 PolarHBondContact O-ND2 2.81Å; K441-N445 PolarHBondContact O-OD1 3.36Å; G442-N445 PolarHBondContact O-N 3.07Å; L443-N445 VanDerWaalsContact C-N 3.31Å; L443-N445 PolarHBondContact O-N 2.81Å; N445-R449 WeakPolarHBondContact O-CB 3.31Å; N445-R449 PolarHBondContact O-N 2.87Å
446L58.8Low67.8Low115 Ų115104 Ų10460%0.60254%0.538SS*.Hα-helixtrans-69.8-44.4169-75.3165.9000111.3G442 L443 R449 E450G442-L446 WeakPolarHBondContact O-CG 3.32Å; G442-L446 PolarHBondContact O-N 3.04Å; L443-L446 PolarHBondContact O-N 3.27Å; L446-R449 PolarHBondContact O-N 3.3Å; L446-E450 WeakPolarHBondContact O-CB 3.48Å; L446-E450 PolarHBondContact O-N 3.44Å
447D70.1Confident69.7Low105 Ų105101.5 Ų101.556%0.56152%0.522SS*.Hα-helixtrans-63.3-43.7179.6-157.821.2000111.5L443 T444 R449 E450 Q451L443-D447 PolarHBondContact O-N 3.33Å; T444-D447 PolarHBondContact O-N 2.87Å; D447-R449 PolarHBondContact O-N 2.82Å; D447-E450 PolarHBondContact O-N 3.08Å; D447-Q451 WeakPolarHBondContact O-CB 3.43Å; D447-Q451 PolarHBondContact O-N 3.39Å
448L73.3Confident71.4Confident98 Ų98102.4 Ų102.451%0.51353%0.528SS..Hα-helixtrans-56-47.9170-95156.8000112.4T444 Q451 E452T444-L448 WeakPolarHBondContact O-CB 3.32Å; T444-L448 PolarHBondContact O-N 3.18Å; L448-Q451 WeakPolarHBondContact O-CB 3.37Å; L448-Q451 PolarHBondContact O-N 3.21Å; L448-E452 WeakPolarHBondContact O-CG 3.33Å; L448-E452 PolarHBondContact O-N 3.5Å
449R75Confident72.9Confident172 Ų17298.5 Ų98.565%0.64952%0.518SS*.Hα-helixtrans-72.3-29.1-178.6-166.2171.1-177178.90.4113N445 L446 D447 L453N445-R449 WeakPolarHBondContact O-CB 3.31Å; N445-R449 PolarHBondContact O-N 2.87Å; L446-R449 PolarHBondContact O-N 3.3Å; D447-R449 PolarHBondContact O-N 2.82Å; R449-L453 WeakPolarHBondContact O-CD1 3.39Å; R449-L453 VanDerWaalsContact O-CG 3.29Å; R449-L453 WeakPolarHBondContact O-CG 3.19Å; R449-L453 PolarHBondContact O-N 2.92Å; R449-L453 VanDerWaalsContact O-N 3.08Å
450E78.7Confident74.6Confident106 Ų106102.7 Ų102.750%0.49552%0.52SS..Hα-helixtrans-71.8-33.2170.6-156.4-171.6118.900111L446 D447 K454L446-E450 WeakPolarHBondContact O-CB 3.48Å; L446-E450 PolarHBondContact O-N 3.44Å; D447-E450 PolarHBondContact O-N 3.08Å; E450-K454 WeakPolarHBondContact O-CD 3.39Å; E450-K454 VanDerWaalsContact O-CG 3.25Å; E450-K454 WeakPolarHBondContact O-CG 3.47Å; E450-K454 PolarHBondContact O-N 3.12Å; E450-K454 VanDerWaalsContact O-N 3.09Å; E450-K454 WeakPolarHBondContact OE1-CE 3.47Å; E450-K454 IonicContact OE1-NZ 3.85Å; E450-K454 PolarHBondContact OE1-NZ 3.5Å
451Q80.1Confident76.3Confident108 Ų108106.1 Ų106.151%0.50552%0.524SS..Hα-helixtrans-67.4-46170.2-175.4172.8-13.700111.8D447 L448 L453 K454 D455D447-Q451 WeakPolarHBondContact O-CB 3.43Å; D447-Q451 PolarHBondContact O-N 3.39Å; L448-Q451 WeakPolarHBondContact O-CB 3.37Å; L448-Q451 PolarHBondContact O-N 3.21Å; Q451-L453 VanDerWaalsContact C-N 3.26Å; Q451-L453 PolarHBondContact O-N 3.08Å; Q451-K454 PolarHBondContact O-N 3.09Å; Q451-K454 VanDerWaalsContact O-N 3.07Å; Q451-D455 WeakPolarHBondContact O-CB 3.34Å; Q451-D455 PolarHBondContact O-N 3.4Å
452E85.8Confident78Confident110 Ų110105.1 Ų105.151%0.51452%0.524SS..Hα-helixtrans-54.8-41.6173.1-72.3171.8167.700112L448 D455 M456L448-E452 WeakPolarHBondContact O-CG 3.33Å; L448-E452 PolarHBondContact O-N 3.5Å; E452-D455 PolarHBondContact O-N 2.97Å; E452-M456 WeakPolarHBondContact O-CB 3.48Å; E452-M456 WeakPolarHBondContact O-CG 3.4Å; E452-M456 PolarHBondContact O-N 3.15Å
453L86.2Confident79.5Confident106 Ų106109.7 Ų109.756%0.55554%0.537SS*.Hα-helixtrans-64.4-41.3175.5-75.8164.6000112.5R449 Q451 M456 E457R449-L453 WeakPolarHBondContact O-CD1 3.39Å; R449-L453 VanDerWaalsContact O-CG 3.29Å; R449-L453 WeakPolarHBondContact O-CG 3.19Å; R449-L453 PolarHBondContact O-N 2.92Å; R449-L453 VanDerWaalsContact O-N 3.08Å; Q451-L453 VanDerWaalsContact C-N 3.26Å; Q451-L453 PolarHBondContact O-N 3.08Å; L453-M456 HydrophobicContact CD2-CE 3.94Å; L453-M456 HydrophobicContact CG-CE 4.43Å; L453-E457 PolarHBondContact O-N 2.98Å
454K85.9Confident81.2Confident95 Ų95108.6 Ų108.641%0.41353%0.529SS..Hα-helixtrans-66.8-44175.8-69.6158.4-170.2156.50111.6E450 Q451 E457 V458E450-K454 WeakPolarHBondContact O-CD 3.39Å; E450-K454 VanDerWaalsContact O-CG 3.25Å; E450-K454 WeakPolarHBondContact O-CG 3.47Å; E450-K454 PolarHBondContact O-N 3.12Å; E450-K454 VanDerWaalsContact O-N 3.09Å; E450-K454 WeakPolarHBondContact OE1-CE 3.47Å; E450-K454 IonicContact OE1-NZ 3.85Å; E450-K454 PolarHBondContact OE1-NZ 3.5Å; Q451-K454 PolarHBondContact O-N 3.09Å; Q451-K454 VanDerWaalsContact O-N 3.07Å; K454-E457 PolarHBondContact O-N 3.43Å; K454-E457 VanDerWaalsContact O-N 3.14Å; K454-V458 WeakPolarHBondContact O-CG2 3.44Å; K454-V458 PolarHBondContact O-N 2.83Å
455D91.5Very high82.6Confident91 Ų91109.5 Ų109.549%0.48753%0.527SS..Hα-helixtrans-67.4-36.4179.9-71.2-21.2000111.1Q451 E452 V458 A459Q451-D455 WeakPolarHBondContact O-CB 3.34Å; Q451-D455 PolarHBondContact O-N 3.4Å; E452-D455 PolarHBondContact O-N 2.97Å; D455-V458 PolarHBondContact O-N 3.02Å; D455-A459 WeakPolarHBondContact O-CB 3.3Å; D455-A459 PolarHBondContact O-N 3.01Å
456M85.9Confident83.9Confident118 Ų118109.7 Ų109.758%0.58153%0.525SS*.Hα-helixtrans-64.7-39.5168.1-77.4-169.7-66.800112.9E452 L453 A459 R460E452-M456 WeakPolarHBondContact O-CB 3.48Å; E452-M456 WeakPolarHBondContact O-CG 3.4Å; E452-M456 PolarHBondContact O-N 3.15Å; L453-M456 HydrophobicContact CD2-CE 3.94Å; L453-M456 HydrophobicContact CG-CE 4.43Å; M456-A459 PolarHBondContact O-N 3.28Å; M456-R460 WeakPolarHBondContact O-CB 3.33Å; M456-R460 PolarHBondContact O-N 3.49Å
457E86.8Confident85.1Confident97 Ų97109.1 Ų109.145%0.45352%0.522SS..Hα-helixtrans-66.5-39.4176.2-155-161.2146.900111.6L453 K454 R460 R461L453-E457 PolarHBondContact O-N 2.98Å; K454-E457 PolarHBondContact O-N 3.43Å; K454-E457 VanDerWaalsContact O-N 3.14Å; E457-R460 PolarHBondContact O-N 3.49Å; E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 VanDerWaalsContact O-CG 3.28Å; E457-R461 WeakPolarHBondContact O-CG 3.46Å; E457-R461 PolarHBondContact O-N 3.23Å; E457-R461 IonicContact OE1-CZ 2.85Å; E457-R461 IonicContact OE1-NE 3.01Å; E457-R461 PolarHBondContact OE1-NE 3.17Å; E457-R461 IonicContact OE1-NH2 3.06Å; E457-R461 PolarHBondContact OE1-NH2 2.95Å
458V90.5Very high86Confident93 Ų93111 Ų11156%0.56453%0.525SS*.Hα-helixtrans-63.8-45.9173.9170.70000111K454 D455 R460 R461 L462K454-V458 WeakPolarHBondContact O-CG2 3.44Å; K454-V458 PolarHBondContact O-N 2.83Å; D455-V458 PolarHBondContact O-N 3.02Å; V458-R460 PolarHBondContact O-N 2.71Å; V458-R461 PolarHBondContact O-N 3.48Å; V458-L462 WeakPolarHBondContact O-CB 3.4Å; V458-L462 PolarHBondContact O-N 3.27Å
459A89.8Confident86.6Confident54 Ų54113 Ų11345%0.44653%0.526SS..Hα-helixtrans-60.2-43.9176.100000111.9D455 M456 L462 Q463D455-A459 WeakPolarHBondContact O-CB 3.3Å; D455-A459 PolarHBondContact O-N 3.01Å; M456-A459 PolarHBondContact O-N 3.28Å; A459-L462 WeakPolarHBondContact O-CB 3.44Å; A459-L462 PolarHBondContact O-N 2.87Å; A459-Q463 PolarHBondContact O-N 3.06Å
460R91.2Very high86.8Confident156 Ų156109.7 Ų109.759%0.58952%0.519SS*.Hα-helixtrans-61.8-46.9174.9179.8-175.6159.2-168.8-10.7111.9M456 E457 V458 L462 Q463 E464M456-R460 WeakPolarHBondContact O-CB 3.33Å; M456-R460 PolarHBondContact O-N 3.49Å; E457-R460 PolarHBondContact O-N 3.49Å; V458-R460 PolarHBondContact O-N 2.71Å; R460-L462 VanDerWaalsContact C-N 3.3Å; R460-L462 PolarHBondContact O-N 2.89Å; R460-Q463 PolarHBondContact O-N 2.92Å; R460-E464 IonicContact CZ-OE1 3.15Å; R460-E464 IonicContact NE-OE1 2.84Å; R460-E464 PolarHBondContact NE-OE1 3.44Å; R460-E464 IonicContact NH2-OE1 2.67Å; R460-E464 PolarHBondContact NH2-OE1 3.27Å; R460-E464 WeakPolarHBondContact O-CG 3.33Å; R460-E464 PolarHBondContact O-N 3.09Å
461R91.8Very high87.1Confident151 Ų151107 Ų10757%0.5751%0.512SS*.Hα-helixtrans-61.2-38.5177.1-74.3175-177.6-147.59.2111.7E457 V458 E465E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 VanDerWaalsContact O-CG 3.28Å; E457-R461 WeakPolarHBondContact O-CG 3.46Å; E457-R461 PolarHBondContact O-N 3.23Å; E457-R461 IonicContact OE1-CZ 2.85Å; E457-R461 IonicContact OE1-NE 3.01Å; E457-R461 PolarHBondContact OE1-NE 3.17Å; E457-R461 IonicContact OE1-NH2 3.06Å; E457-R461 PolarHBondContact OE1-NH2 2.95Å; V458-R461 PolarHBondContact O-N 3.48Å; R461-E465 WeakPolarHBondContact O-CB 3.22Å; R461-E465 PolarHBondContact O-N 3.48Å
462L91.8Very high87.3Confident102 Ų102104.9 Ų104.953%0.53450%0.504SS..Hα-helixtrans-61.4-46.8174-166.486000111.1V458 A459 R460 E465 E466V458-L462 WeakPolarHBondContact O-CB 3.4Å; V458-L462 PolarHBondContact O-N 3.27Å; A459-L462 WeakPolarHBondContact O-CB 3.44Å; A459-L462 PolarHBondContact O-N 2.87Å; R460-L462 VanDerWaalsContact C-N 3.3Å; R460-L462 PolarHBondContact O-N 2.89Å; L462-E465 WeakPolarHBondContact O-CB 3.1Å; L462-E465 PolarHBondContact O-N 3.37Å; L462-E466 PolarHBondContact O-N 2.83Å
463Q86.4Confident87.1Confident126 Ų126105.9 Ų105.959%0.58951%0.51SS*.Hα-helixtrans-66.2-40179.4-167.9177.110.600112.4A459 R460 E465 E466 L467A459-Q463 PolarHBondContact O-N 3.06Å; R460-Q463 PolarHBondContact O-N 2.92Å; Q463-E465 VanDerWaalsContact C-N 3.34Å; Q463-E466 PolarHBondContact O-N 2.8Å; Q463-L467 WeakPolarHBondContact O-CB 3.26Å; Q463-L467 WeakPolarHBondContact O-CG 3.15Å; Q463-L467 PolarHBondContact O-N 3.46Å
464E89.9Confident86.9Confident94 Ų94107.3 Ų107.344%0.43951%0.514SS..Hα-helixtrans-62.7-39.1171.5-74.2-179.2-171.400111.7R460 K468R460-E464 IonicContact CZ-OE1 3.15Å; R460-E464 IonicContact NE-OE1 2.84Å; R460-E464 PolarHBondContact NE-OE1 3.44Å; R460-E464 IonicContact NH2-OE1 2.67Å; R460-E464 PolarHBondContact NH2-OE1 3.27Å; R460-E464 WeakPolarHBondContact O-CG 3.33Å; R460-E464 PolarHBondContact O-N 3.09Å; E464-K468 VanDerWaalsContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CB 3.43Å; E464-K468 PolarHBondContact O-N 2.84Å
465E87.5Confident86.9Confident100 Ų100108.6 Ų108.647%0.46752%0.522SS..Hα-helixtrans-65.6-41.3172.2-86.9-157.2-137.500112.9R461 L462 Q463 K468 R469R461-E465 WeakPolarHBondContact O-CB 3.22Å; R461-E465 PolarHBondContact O-N 3.48Å; L462-E465 WeakPolarHBondContact O-CB 3.1Å; L462-E465 PolarHBondContact O-N 3.37Å; Q463-E465 VanDerWaalsContact C-N 3.34Å; E465-K468 PolarHBondContact O-N 2.87Å; E465-R469 WeakPolarHBondContact O-CB 3.18Å; E465-R469 WeakPolarHBondContact O-CD 3.35Å; E465-R469 WeakPolarHBondContact O-CG 3.34Å; E465-R469 PolarHBondContact O-N 3.34Å; E465-R469 IonicContact OE2-CZ 2.74Å; E465-R469 IonicContact OE2-NE 3.75Å; E465-R469 PolarHBondContact OE2-NE 2.91Å; E465-R469 IonicContact OE2-NH2 3.42Å; E465-R469 PolarHBondContact OE2-NH2 3.22Å
466E84.3Confident86.6Confident107 Ų107112.5 Ų112.550%0.553%0.53SS..Hα-helixtrans-66-44.8177.5-73.6-168155.900112L462 Q463 K468 R469 M470L462-E466 PolarHBondContact O-N 2.83Å; Q463-E466 PolarHBondContact O-N 2.8Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 3.25Å; E466-R469 PolarHBondContact O-N 3.15Å; E466-M470 WeakPolarHBondContact O-CG 3.5Å; E466-M470 PolarHBondContact O-N 3.29Å
467L85.5Confident86.7Confident102 Ų102109.9 Ų109.953%0.53453%0.526SS..Hα-helixtrans-56.8-44.3171.8-73167000111.4Q463 M470 S471Q463-L467 WeakPolarHBondContact O-CB 3.26Å; Q463-L467 WeakPolarHBondContact O-CG 3.15Å; Q463-L467 PolarHBondContact O-N 3.46Å; L467-M470 HydrophobicContact CD2-CE 3.93Å; L467-M470 PolarHBondContact O-N 2.87Å; L467-S471 WeakPolarHBondContact O-CB 3.31Å; L467-S471 PolarHBondContact O-N 3.31Å
468K88.1Confident86.7Confident145 Ų145107.5 Ų107.563%0.6352%0.524SS*.Hα-helixtrans-66.9-37.7177.5-168.5169.6-174.6173.20112.6E464 E465 E466 N472E464-K468 VanDerWaalsContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CB 3.43Å; E464-K468 PolarHBondContact O-N 2.84Å; E465-K468 PolarHBondContact O-N 2.87Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 3.25Å; K468-N472 WeakPolarHBondContact O-CB 3.42Å; K468-N472 PolarHBondContact O-N 3.17Å; K468-N472 PolarHBondContact O-ND2 2.93Å
469R85Confident86.6Confident141 Ų141107.5 Ų107.553%0.53252%0.517SS..Hα-helixtrans-66-42.8173.9-71.7163.3-170.7-159.56.2111E465 E466 N472 M473E465-R469 WeakPolarHBondContact O-CB 3.18Å; E465-R469 WeakPolarHBondContact O-CD 3.35Å; E465-R469 WeakPolarHBondContact O-CG 3.34Å; E465-R469 PolarHBondContact O-N 3.34Å; E465-R469 IonicContact OE2-CZ 2.74Å; E465-R469 IonicContact OE2-NE 3.75Å; E465-R469 PolarHBondContact OE2-NE 2.91Å; E465-R469 IonicContact OE2-NH2 3.42Å; E465-R469 PolarHBondContact OE2-NH2 3.22Å; E466-R469 PolarHBondContact O-N 3.15Å; R469-N472 PolarHBondContact O-N 2.97Å; R469-M473 WeakPolarHBondContact O-CB 3.49Å; R469-M473 WeakPolarHBondContact O-CG 3.33Å; R469-M473 PolarHBondContact O-N 3.3Å
470M79.9Confident86.5Confident101 Ų101109.5 Ų109.550%0.49852%0.524SS..Hα-helixtrans-62.6-45.8174.5-72.7-164.3-65.700112E466 L467 N472 M473 Q474E466-M470 WeakPolarHBondContact O-CG 3.5Å; E466-M470 PolarHBondContact O-N 3.29Å; L467-M470 HydrophobicContact CD2-CE 3.93Å; L467-M470 PolarHBondContact O-N 2.87Å; M470-N472 PolarHBondContact O-N 2.94Å; M470-M473 CarbonylContact O-C 3.58Å; M470-M473 PolarHBondContact O-N 3.48Å; M470-M473 VanDerWaalsContact O-N 3.12Å; M470-Q474 WeakPolarHBondContact O-CG 3.42Å; M470-Q474 PolarHBondContact O-N 2.9Å
471S84.3Confident86.4Confident49 Ų49104.9 Ų104.934%0.34352%0.519SS..Hα-helixtrans-57.2-49173.4157.80000111.7L467 M473 Q474 E475L467-S471 WeakPolarHBondContact O-CB 3.31Å; L467-S471 PolarHBondContact O-N 3.31Å; S471-M473 VanDerWaalsContact C-N 3.26Å; S471-M473 PolarHBondContact O-N 2.88Å; S471-Q474 PolarHBondContact O-N 3.39Å; S471-Q474 VanDerWaalsContact O-N 3.15Å; S471-E475 WeakPolarHBondContact O-CG 3.31Å; S471-E475 PolarHBondContact O-N 3.32Å
472N84.9Confident86.2Confident64 Ų64103.5 Ų103.534%0.34252%0.517SS..Hα-helixtrans-60.9-33.2175.2-85.3-98000112.8K468 R469 M470 R476K468-N472 WeakPolarHBondContact O-CB 3.42Å; K468-N472 PolarHBondContact O-N 3.17Å; K468-N472 PolarHBondContact O-ND2 2.93Å; R469-N472 PolarHBondContact O-N 2.97Å; M470-N472 PolarHBondContact O-N 2.94Å; N472-R476 WeakPolarHBondContact O-CB 3.46Å; N472-R476 WeakPolarHBondContact O-CD 3.24Å; N472-R476 WeakPolarHBondContact O-CG 3.36Å; N472-R476 PolarHBondContact O-N 3.28Å; N472-R476 VanDerWaalsContact O-N 3.14Å
473M82.3Confident86.2Confident131 Ų131102.3 Ų102.365%0.64551%0.511SS*.Hα-helixtrans-73.7-37.9175-77-179.561.700112.4R469 M470 S471 R476 A477R469-M473 WeakPolarHBondContact O-CB 3.49Å; R469-M473 WeakPolarHBondContact O-CG 3.33Å; R469-M473 PolarHBondContact O-N 3.3Å; M470-M473 CarbonylContact O-C 3.58Å; M470-M473 PolarHBondContact O-N 3.48Å; M470-M473 VanDerWaalsContact O-N 3.12Å; S471-M473 VanDerWaalsContact C-N 3.26Å; S471-M473 PolarHBondContact O-N 2.88Å; M473-R476 PolarHBondContact O-N 3.14Å; M473-A477 WeakPolarHBondContact O-CB 3.37Å; M473-A477 PolarHBondContact O-N 3.18Å
474Q82.6Confident86.3Confident136 Ų136101 Ų10164%0.63651%0.505SS*.Hα-helixtrans-65.1-43.5174.4-72.2169.4-300111.2M470 S471 A477 A478M470-Q474 WeakPolarHBondContact O-CG 3.42Å; M470-Q474 PolarHBondContact O-N 2.9Å; S471-Q474 PolarHBondContact O-N 3.39Å; S471-Q474 VanDerWaalsContact O-N 3.15Å; Q474-A477 PolarHBondContact O-N 3.33Å; Q474-A478 WeakPolarHBondContact O-CB 3.18Å; Q474-A478 PolarHBondContact O-N 2.83Å
475E86Confident86.2Confident123 Ų123103.3 Ų103.358%0.57552%0.516SS*.Hα-helixtrans-59.8-46.2173.5-73.1179.3174.800111.9S471 A477 A478 Q479S471-E475 WeakPolarHBondContact O-CG 3.31Å; S471-E475 PolarHBondContact O-N 3.32Å; E475-A477 PolarHBondContact O-N 3.17Å; E475-A478 PolarHBondContact O-N 3.41Å; E475-Q479 WeakPolarHBondContact O-CB 3.24Å; E475-Q479 PolarHBondContact O-N 3.19Å
476R85.2Confident86.2Confident173 Ų173103.3 Ų103.365%0.65352%0.518SS*.Hα-helixtrans-62.9-41175.8-73.1170.1-173.2-163.52112.3N472 M473 Q479 V480N472-R476 WeakPolarHBondContact O-CB 3.46Å; N472-R476 WeakPolarHBondContact O-CD 3.24Å; N472-R476 WeakPolarHBondContact O-CG 3.36Å; N472-R476 PolarHBondContact O-N 3.28Å; N472-R476 VanDerWaalsContact O-N 3.14Å; M473-R476 PolarHBondContact O-N 3.14Å; R476-Q479 PolarHBondContact O-N 3.48Å; R476-V480 WeakPolarHBondContact O-CG2 3.45Å; R476-V480 PolarHBondContact O-N 3.23Å
477A86.6Confident86.5Confident62 Ų62100.7 Ų100.751%0.51252%0.515SS..Hα-helixtrans-65.3-42.1176.300000111.8M473 Q474 E475 Q479 V480 A481M473-A477 WeakPolarHBondContact O-CB 3.37Å; M473-A477 PolarHBondContact O-N 3.18Å; Q474-A477 PolarHBondContact O-N 3.33Å; E475-A477 PolarHBondContact O-N 3.17Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; A477-Q479 PolarHBondContact O-N 2.95Å; A477-V480 PolarHBondContact O-N 2.84Å; A477-A481 WeakPolarHBondContact O-CB 3.34Å; A477-A481 PolarHBondContact O-N 3.14Å
478A86.8Confident86.7Confident48 Ų48103.6 Ų103.640%0.39752%0.519SS..Hα-helixtrans-65.9-33.9175.500000112.6Q474 E475 K482Q474-A478 WeakPolarHBondContact O-CB 3.18Å; Q474-A478 PolarHBondContact O-N 2.83Å; E475-A478 PolarHBondContact O-N 3.41Å; A478-K482 WeakPolarHBondContact O-CG 3.43Å; A478-K482 PolarHBondContact O-N 3.27Å
479Q88.7Confident86.8Confident92 Ų9298.9 Ų98.943%0.4350%0.504SS..Hα-helixtrans-68-49.5172.6-177.354.938.900111.3E475 R476 A477 A481 K482 D483E475-Q479 WeakPolarHBondContact O-CB 3.24Å; E475-Q479 PolarHBondContact O-N 3.19Å; R476-Q479 PolarHBondContact O-N 3.48Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; A477-Q479 PolarHBondContact O-N 2.95Å; Q479-A481 VanDerWaalsContact C-N 3.27Å; Q479-A481 PolarHBondContact O-N 2.95Å; Q479-K482 WeakPolarHBondContact O-CB 3.34Å; Q479-K482 PolarHBondContact O-N 3.36Å; Q479-K482 VanDerWaalsContact O-N 3.1Å; Q479-D483 PolarHBondContact NE2-OD1 3.04Å; Q479-D483 PolarHBondContact NE2-OD2 2.92Å; Q479-D483 PolarHBondContact O-N 2.83Å
480V88.4Confident87Confident97 Ų9796.7 Ų96.759%0.58850%0.503SS*.Hα-helixtrans-58.4-38.1176.6169.50000111.8R476 A477 D483 E484R476-V480 WeakPolarHBondContact O-CG2 3.45Å; R476-V480 PolarHBondContact O-N 3.23Å; A477-V480 PolarHBondContact O-N 2.84Å; V480-D483 PolarHBondContact O-N 3.48Å; V480-E484 WeakPolarHBondContact O-CB 3.33Å; V480-E484 PolarHBondContact O-N 3.38Å
481A88.3Confident87.2Confident58 Ų5897.9 Ų97.948%0.47951%0.508SS..Hα-helixtrans-63.7-40.6175.800000112.9A477 Q479 E484 E485A477-A481 WeakPolarHBondContact O-CB 3.34Å; A477-A481 PolarHBondContact O-N 3.14Å; Q479-A481 VanDerWaalsContact C-N 3.27Å; Q479-A481 PolarHBondContact O-N 2.95Å; A481-E484 PolarHBondContact O-N 3.02Å; A481-E485 PolarHBondContact O-N 3.43Å
482K88.6Confident87.4Confident123 Ų123100.4 Ų100.454%0.53552%0.515SS..Hα-helixtrans-65.6-44173.9-70168-176.1173.60111.6A478 Q479 E484 E485 I486A478-K482 WeakPolarHBondContact O-CG 3.43Å; A478-K482 PolarHBondContact O-N 3.27Å; Q479-K482 WeakPolarHBondContact O-CB 3.34Å; Q479-K482 PolarHBondContact O-N 3.36Å; Q479-K482 VanDerWaalsContact O-N 3.1Å; K482-E484 VanDerWaalsContact C-N 3.29Å; K482-E484 PolarHBondContact O-N 3.35Å; K482-E485 PolarHBondContact O-N 2.9Å; K482-I486 VanDerWaalsContact O-CG1 3.32Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.81Å
483D91.1Very high87.4Confident77 Ų77102.9 Ų102.941%0.41252%0.522SS..Hα-helixtrans-65.5-34.1179.5-65.6-32.3000111.3Q479 V480 A487Q479-D483 PolarHBondContact NE2-OD1 3.04Å; Q479-D483 PolarHBondContact NE2-OD2 2.92Å; Q479-D483 PolarHBondContact O-N 2.83Å; V480-D483 PolarHBondContact O-N 3.48Å; D483-A487 WeakPolarHBondContact O-CB 3.42Å; D483-A487 PolarHBondContact O-N 2.84Å
484E87.4Confident87.7Confident99 Ų99102.4 Ų102.446%0.46352%0.518SS..Hα-helixtrans-67.5-40.7171.4-155.5-161.2149.200112.3V480 A481 K482 A487 R488V480-E484 WeakPolarHBondContact O-CB 3.33Å; V480-E484 PolarHBondContact O-N 3.38Å; A481-E484 PolarHBondContact O-N 3.02Å; K482-E484 VanDerWaalsContact C-N 3.29Å; K482-E484 PolarHBondContact O-N 3.35Å; E484-A487 PolarHBondContact O-N 3.3Å; E484-R488 WeakPolarHBondContact O-CB 3.31Å; E484-R488 VanDerWaalsContact O-CG 3.25Å; E484-R488 WeakPolarHBondContact O-CG 3.39Å; E484-R488 PolarHBondContact O-N 3.32Å; E484-R488 IonicContact OE1-CZ 2.67Å; E484-R488 IonicContact OE1-NE 3.6Å; E484-R488 PolarHBondContact OE1-NE 3.09Å; E484-R488 IonicContact OE1-NH2 3.5Å; E484-R488 PolarHBondContact OE1-NH2 3.48Å; E484-R488 IonicContact OE2-NH2 3.62Å
485E88.2Confident87.9Confident141 Ų141102 Ų10266%0.65952%0.515SS*.Hα-helixtrans-62.5-42.9174.9-168.9-175.8176.300111.6A481 K482 R488 S489A481-E485 PolarHBondContact O-N 3.43Å; K482-E485 PolarHBondContact O-N 2.9Å; E485-R488 PolarHBondContact O-N 2.9Å; E485-S489 WeakPolarHBondContact O-CB 3.12Å; E485-S489 PolarHBondContact O-N 3Å
486I88.8Confident87.8Confident100 Ų100101 Ų10151%0.51351%0.509SS..Hα-helixtrans-60.7-46.4175.1-68.4165.1000110.4K482 R488 S489 L490K482-I486 VanDerWaalsContact O-CG1 3.32Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.81Å; I486-R488 PolarHBondContact O-N 3.45Å; I486-S489 WeakPolarHBondContact O-CB 3.38Å; I486-S489 PolarHBondContact O-N 2.79Å; I486-L490 PolarHBondContact O-N 2.67Å
487A90Very high87.6Confident53 Ų5398.4 Ų98.444%0.43850%0.504SS..Hα-helixtrans-62.5-41.6177.100000112.5D483 E484 L490 M491D483-A487 WeakPolarHBondContact O-CB 3.42Å; D483-A487 PolarHBondContact O-N 2.84Å; E484-A487 PolarHBondContact O-N 3.3Å; A487-L490 PolarHBondContact O-N 2.76Å; A487-M491 WeakPolarHBondContact O-CB 3.31Å; A487-M491 PolarHBondContact O-N 2.76Å
488R88.9Confident87Confident162 Ų162103.4 Ų103.461%0.61151%0.51SS*.Hα-helixtrans-61.9-42.9173.3-72.2170178.6-1537.8111.4E484 E485 I486 M491 E492E484-R488 WeakPolarHBondContact O-CB 3.31Å; E484-R488 VanDerWaalsContact O-CG 3.25Å; E484-R488 WeakPolarHBondContact O-CG 3.39Å; E484-R488 PolarHBondContact O-N 3.32Å; E484-R488 IonicContact OE1-CZ 2.67Å; E484-R488 IonicContact OE1-NE 3.6Å; E484-R488 PolarHBondContact OE1-NE 3.09Å; E484-R488 IonicContact OE1-NH2 3.5Å; E484-R488 PolarHBondContact OE1-NH2 3.48Å; E484-R488 IonicContact OE2-NH2 3.62Å; E485-R488 PolarHBondContact O-N 2.9Å; I486-R488 PolarHBondContact O-N 3.45Å; R488-M491 PolarHBondContact O-N 3.17Å; R488-E492 WeakPolarHBondContact O-CB 3.16Å; R488-E492 PolarHBondContact O-N 3.3Å
489S89.9Confident86.4Confident47 Ų47108.6 Ų108.633%0.32952%0.52SS..Hα-helixtrans-63.5-41.6177.1-169.80000112.4E485 I486 K493E485-S489 WeakPolarHBondContact O-CB 3.12Å; E485-S489 PolarHBondContact O-N 3Å; I486-S489 WeakPolarHBondContact O-CB 3.38Å; I486-S489 PolarHBondContact O-N 2.79Å; S489-K493 WeakPolarHBondContact O-CD 3.49Å; S489-K493 VanDerWaalsContact O-CG 3.26Å; S489-K493 WeakPolarHBondContact O-CG 3.21Å; S489-K493 PolarHBondContact O-N 3.31Å; S489-K493 PolarHBondContact OG-NZ 2.84Å
490L89.8Confident85.7Confident95 Ų95111.4 Ų111.450%0.49753%0.531SS..Hα-helixtrans-62-53.9174.4-104.2161.5000111.4I486 A487 E492 K493 E494I486-L490 PolarHBondContact O-N 2.67Å; A487-L490 PolarHBondContact O-N 2.76Å; L490-E492 VanDerWaalsContact C-N 3.25Å; L490-E492 PolarHBondContact O-N 2.77Å; L490-K493 WeakPolarHBondContact O-CB 3.34Å; L490-K493 PolarHBondContact O-N 3.05Å; L490-E494 PolarHBondContact O-N 2.95Å
491M85.1Confident84.8Confident126 Ų126113.4 Ų113.462%0.62154%0.538SS*.Hα-helixtrans-60-35.2179.1-170.9-170.4-62.400112.2A487 R488 K495A487-M491 WeakPolarHBondContact O-CB 3.31Å; A487-M491 PolarHBondContact O-N 2.76Å; R488-M491 PolarHBondContact O-N 3.17Å; M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.01Å
492E87.3Confident83.9Confident101 Ų101120.1 Ų120.147%0.47255%0.551SS.*Hα-helixtrans-71.8-33.7176.6-150.1-146.2175.200112.6R488 L490 K496R488-E492 WeakPolarHBondContact O-CB 3.16Å; R488-E492 PolarHBondContact O-N 3.3Å; L490-E492 VanDerWaalsContact C-N 3.25Å; L490-E492 PolarHBondContact O-N 2.77Å; E492-K496 WeakPolarHBondContact O-CB 3.42Å; E492-K496 WeakPolarHBondContact O-CD 3.27Å; E492-K496 VanDerWaalsContact O-CG 3.22Å; E492-K496 WeakPolarHBondContact O-CG 3.39Å; E492-K496 PolarHBondContact O-N 3.09Å; E492-K496 WeakPolarHBondContact OE1-CE 3.37Å; E492-K496 IonicContact OE1-NZ 3.35Å; E492-K496 PolarHBondContact OE1-NZ 3.23Å; E492-K496 IonicContact OE2-NZ 2.67Å; E492-K496 PolarHBondContact OE2-NZ 3.1Å
493K86.5Confident82.1Confident116 Ų116124.8 Ų124.850%0.50458%0.575SS.*Hα-helixtrans-66-51.4172.2-72.3161.4-174.4161.60111S489 L490 K495 K496 E497S489-K493 WeakPolarHBondContact O-CD 3.49Å; S489-K493 VanDerWaalsContact O-CG 3.26Å; S489-K493 WeakPolarHBondContact O-CG 3.21Å; S489-K493 PolarHBondContact O-N 3.31Å; S489-K493 PolarHBondContact OG-NZ 2.84Å; L490-K493 WeakPolarHBondContact O-CB 3.34Å; L490-K493 PolarHBondContact O-N 3.05Å; K493-K495 VanDerWaalsContact C-N 3.26Å; K493-K495 PolarHBondContact O-N 3.15Å; K493-K496 CarbonylContact O-C 3.59Å; K493-K496 WeakPolarHBondContact O-CA 3.4Å; K493-K496 WeakPolarHBondContact O-CB 3.3Å; K493-K496 PolarHBondContact O-N 3.48Å; K493-E497 PolarHBondContact O-N 3.47Å
494E87.3Confident81.7Confident121 Ų121127.2 Ų127.257%0.56558%0.583SS**Hα-helixtrans-54.8-43174.8-69.2178.8158.800111.6L490 K496 E497 Y498L490-E494 PolarHBondContact O-N 2.95Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 3.17Å; E494-E497 PolarHBondContact O-N 3.27Å; E494-Y498 VanDerWaalsContact O-CB 3.3Å; E494-Y498 WeakPolarHBondContact O-CB 3.26Å; E494-Y498 PolarHBondContact O-N 3.36Å
495K88.1Confident81.4Confident129 Ų129128.6 Ų128.656%0.56159%0.589SS**Hα-helixtrans-69.2-25.7177.6-171.4174.1-174.6174.30113.6M491 K493 R499M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.01Å; K493-K495 VanDerWaalsContact C-N 3.26Å; K493-K495 PolarHBondContact O-N 3.15Å; K495-R499 WeakPolarHBondContact O-CD 3.48Å; K495-R499 VanDerWaalsContact O-CG 3.29Å; K495-R499 WeakPolarHBondContact O-CG 3.27Å
496K83.8Confident81Confident102 Ų102127.9 Ų127.944%0.44359%0.585SS.*Hα-helixtrans-78.7-39.1171.4-77164.6178.8168.10111.2E492 K493 E494 R499 K500E492-K496 WeakPolarHBondContact O-CB 3.42Å; E492-K496 WeakPolarHBondContact O-CD 3.27Å; E492-K496 VanDerWaalsContact O-CG 3.22Å; E492-K496 WeakPolarHBondContact O-CG 3.39Å; E492-K496 PolarHBondContact O-N 3.09Å; E492-K496 WeakPolarHBondContact OE1-CE 3.37Å; E492-K496 IonicContact OE1-NZ 3.35Å; E492-K496 PolarHBondContact OE1-NZ 3.23Å; E492-K496 IonicContact OE2-NZ 2.67Å; E492-K496 PolarHBondContact OE2-NZ 3.1Å; K493-K496 CarbonylContact O-C 3.59Å; K493-K496 WeakPolarHBondContact O-CA 3.4Å; K493-K496 WeakPolarHBondContact O-CB 3.3Å; K493-K496 PolarHBondContact O-N 3.48Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 3.17Å; K496-R499 PolarHBondContact O-N 3.44Å; K496-K500 WeakPolarHBondContact O-CG 3.39Å; K496-K500 PolarHBondContact O-N 3.17Å; K496-K500 VanDerWaalsContact O-N 3.07Å
497E79.4Confident80.6Confident117 Ų117129.6 Ų129.655%0.54759%0.589SS.*Hα-helixtrans-70.9-41.6176.4-70.3-179.5174.400112.2K493 E494 R499 K500 N501K493-E497 PolarHBondContact O-N 3.47Å; E494-E497 PolarHBondContact O-N 3.27Å; E497-R499 PolarHBondContact O-N 2.84Å; E497-K500 CarbonylContact O-C 3.58Å; E497-K500 PolarHBondContact O-N 3.17Å; E497-K500 VanDerWaalsContact O-N 3.08Å; E497-N501 WeakPolarHBondContact O-CB 3.14Å; E497-N501 VanDerWaalsContact O-CG 3.32Å; E497-N501 PolarHBondContact O-N 2.92Å
498Y74.1Confident80Confident167 Ų167134.4 Ų134.466%0.65560%0.599SS**Hα-helixtrans-61.8-26173-172.9-94.8000113.1E494 R502E494-Y498 VanDerWaalsContact O-CB 3.3Å; E494-Y498 WeakPolarHBondContact O-CB 3.26Å; E494-Y498 PolarHBondContact O-N 3.36Å; Y498-R502 WeakPolarHBondContact O-CB 3.45Å
499R75.8Confident79.4Confident158 Ų158132.5 Ų132.560%0.59660%0.598SS**Hα-helixtrans-73.8-49.5169.5-75.3170.6174-167.4-4.9111.2K495 K496 E497 N501 R502 E503K495-R499 WeakPolarHBondContact O-CD 3.48Å; K495-R499 VanDerWaalsContact O-CG 3.29Å; K495-R499 WeakPolarHBondContact O-CG 3.27Å; K496-R499 PolarHBondContact O-N 3.44Å; E497-R499 PolarHBondContact O-N 2.84Å; R499-N501 PolarHBondContact O-N 2.84Å; R499-R502 PolarHBondContact O-N 3.39Å; R499-E503 PolarHBondContact O-N 2.96Å; R499-E503 VanDerWaalsContact O-N 3.17Å
500K73.4Confident78.6Confident151 Ų151138.6 Ų138.666%0.65762%0.617SS**Hα-helixtrans-60.3-28.2177-73179.5174.6-175.10114.5K496 E497 R502K496-K500 WeakPolarHBondContact O-CG 3.39Å; K496-K500 PolarHBondContact O-N 3.17Å; K496-K500 VanDerWaalsContact O-N 3.07Å; E497-K500 CarbonylContact O-C 3.58Å; E497-K500 PolarHBondContact O-N 3.17Å; E497-K500 VanDerWaalsContact O-N 3.08Å; K500-R502 VanDerWaalsContact C-N 3.29Å
501N69.3Low77.8Confident139 Ų139142 Ų14274%0.74363%0.626SS**THydrogen-bonded Turntrans-89.15.9177.9-65.1-6.4000113E497 R499E497-N501 WeakPolarHBondContact O-CB 3.14Å; E497-N501 VanDerWaalsContact O-CG 3.32Å; E497-N501 PolarHBondContact O-N 2.92Å; R499-N501 PolarHBondContact O-N 2.84Å
502R69.3Low77.2Confident199 Ų199143.3 Ų143.375%0.75163%0.627SS**THydrogen-bonded Turntrans-122-17.9-179.5174175.8165.9-179.6-3.3112.8Y498 R499 K500Y498-R502 WeakPolarHBondContact O-CB 3.45Å; R499-R502 PolarHBondContact O-N 3.39Å; K500-R502 VanDerWaalsContact C-N 3.29Å
503E51.6Low76.2Confident220 Ų220147.2 Ų147.2100%1.02864%0.641SS**  trans-84.10164.7-68.9174.8171.200110.5R499R499-E503 PolarHBondContact O-N 2.96Å; R499-E503 VanDerWaalsContact O-N 3.17Å

Retrieved 503 of 503 residues in 260.2 ms (Link to these results)