A0A060D923_MAIZE Loading...

MED26 transcription factor

AlphaFold DB (K7UVN5), UniProt , Accession A0A060D923, Species MAIZE (Zea mays, Maize), Gene MED26.13, Length 535 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
1M51.3Low74.4Confident213 Ų213118.9 Ų118.9100%1.04960%0.595SS**  0-46.60-81.6-79-126.400110.1D3 G4M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact N-OD1 2.65Å; M1-D3 PolarHBondContact O-N 3.28Å; M1-G4 PolarHBondContact O-N 2.91Å
2A57.5Low75Confident59 Ų59113.4 Ų113.449%0.48857%0.565SS.*Hα-helixtrans-52.4-42.6176.900000113.8G4 L5 D6A2-G4 PolarHBondContact O-N 3Å; A2-L5 WeakPolarHBondContact O-CB 3.16Å; A2-L5 PolarHBondContact O-N 2.9Å; A2-D6 PolarHBondContact O-N 2.67Å
3D60.9Low75.3Confident113 Ų113121.2 Ų121.260%0.60458%0.584SS**Hα-helixtrans-53.9-14.5-175.1-32.650.5000115.9M1 R7M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact N-OD1 2.65Å; M1-D3 PolarHBondContact O-N 3.28Å; D3-R7 PolarHBondContact O-NH2 3.4Å
4G76.3Confident75.3Confident35 Ų35117.6 Ų117.636%0.36159%0.594SS.*Hα-helixtrans-86.8-43.2171.600000112.7M1 A2 R7M1-G4 PolarHBondContact O-N 2.91Å; A2-G4 PolarHBondContact O-N 3Å; G4-R7 WeakPolarHBondContact O-CB 3.49Å; G4-R7 PolarHBondContact O-N 3.07Å
5L78.9Confident75.2Confident109 Ų109113.5 Ų113.557%0.57159%0.585SS**Hα-helixtrans-67.6-40.5-176.5-68.6171.7000112A2 R7 W8 R9A2-L5 WeakPolarHBondContact O-CB 3.16Å; A2-L5 PolarHBondContact O-N 2.9Å; L5-R7 PolarHBondContact O-N 2.92Å; L5-W8 CarbonylContact O-C 3.49Å; L5-W8 WeakPolarHBondContact O-CA 3.26Å; L5-W8 WeakPolarHBondContact O-CB 3.25Å; L5-W8 PolarHBondContact O-N 3.02Å; L5-R9 WeakPolarHBondContact O-CG 3.21Å; L5-R9 PolarHBondContact O-N 3.36Å
6D79.5Confident75.2Confident95 Ų95111.3 Ų111.351%0.50860%0.599SS.*Hα-helixtrans-65.2-27.4-178.4-58.5-47.6000112.6A2 R9 G10A2-D6 PolarHBondContact O-N 2.67Å; D6-R9 PolarHBondContact O-N 3.18Å; D6-G10 PolarHBondContact O-N 2.77Å
7R84.2Confident75.1Confident189 Ų189107.3 Ų107.371%0.71359%0.585SS**Hα-helixtrans-66.7-40.9172.8-143.7176.3-53.7-102.6-11.5111.6D3 G4 L5 F11D3-R7 PolarHBondContact O-NH2 3.4Å; G4-R7 WeakPolarHBondContact O-CB 3.49Å; G4-R7 PolarHBondContact O-N 3.07Å; L5-R7 PolarHBondContact O-N 2.92Å; R7-F11 PolarHBondContact O-N 2.91Å
8W82.8Confident75.6Confident152 Ų152103.1 Ų103.158%0.57657%0.571SS**Hα-helixtrans-70.8-40.1172.5-68.8108.5000112.1L5 G10 F11 F12L5-W8 CarbonylContact O-C 3.49Å; L5-W8 WeakPolarHBondContact O-CA 3.26Å; L5-W8 WeakPolarHBondContact O-CB 3.25Å; L5-W8 PolarHBondContact O-N 3.02Å; W8-G10 VanDerWaalsContact C-N 3.26Å; W8-G10 PolarHBondContact O-N 2.85Å; W8-F11 HydrophobicContact CE3-CD1 4.22Å; W8-F11 HydrophobicContact CZ3-CD1 4.38Å; W8-F11 PolarHBondContact O-N 2.94Å; W8-F11 VanDerWaalsContact O-N 3.16Å; W8-F12 HydrophobicContact CB-CD2 4.25Å; W8-F12 HydrophobicContact CB-CE2 3.9Å; W8-F12 HydrophobicContact CE3-CE2 4.17Å; W8-F12 AromaticContact CE3-CZ 3.95Å; W8-F12 HydrophobicContact CE3-CZ 3.95Å; W8-F12 WeakPolarHBondContact O-CD2 3.43Å; W8-F12 WeakPolarHBondContact O-CG 3.37Å; W8-F12 PolarHBondContact O-N 2.99Å
9R82.2Confident76.2Confident166 Ų166102.3 Ų102.363%0.62656%0.564SS**Hα-helixtrans-58.6-38.6172.9-67.8-177.6-176.1-77.36.3111.7L5 D6 R13L5-R9 WeakPolarHBondContact O-CG 3.21Å; L5-R9 PolarHBondContact O-N 3.36Å; D6-R9 PolarHBondContact O-N 3.18Å; R9-R13 WeakPolarHBondContact O-CB 3.49Å; R9-R13 PolarHBondContact O-N 3.07Å
10G82.4Confident76.6Confident46 Ų46101 Ų10147%0.47456%0.561SS.*Hα-helixtrans-64.9-46.9172.500000112.8D6 W8 R13 G14D6-G10 PolarHBondContact O-N 2.77Å; W8-G10 VanDerWaalsContact C-N 3.26Å; W8-G10 PolarHBondContact O-N 2.85Å; G10-R13 PolarHBondContact O-N 3.23Å; G10-G14 PolarHBondContact O-N 2.97Å
11F82.5Confident77.1Confident131 Ų13199.7 Ų99.758%0.57555%0.554SS**Hα-helixtrans-58.5-52.9176.9177.5-98.9000112.3R7 W8 R13 G14 A15R7-F11 PolarHBondContact O-N 2.91Å; W8-F11 HydrophobicContact CE3-CD1 4.22Å; W8-F11 HydrophobicContact CZ3-CD1 4.38Å; W8-F11 PolarHBondContact O-N 2.94Å; W8-F11 VanDerWaalsContact O-N 3.16Å; F11-R13 PolarHBondContact O-N 2.97Å; F11-G14 PolarHBondContact O-N 3.28Å; F11-G14 VanDerWaalsContact O-N 3.14Å; F11-A15 PolarHBondContact O-N 3.36Å
12F81.5Confident78.9Confident53 Ų5391.2 Ų91.223%0.23251%0.514CS..Hα-helixtrans-66.1-38.7-180-60.9-53000112.4W8 G14 A15 I19 V22W8-F12 HydrophobicContact CB-CD2 4.25Å; W8-F12 HydrophobicContact CB-CE2 3.9Å; W8-F12 HydrophobicContact CE3-CE2 4.17Å; W8-F12 AromaticContact CE3-CZ 3.95Å; W8-F12 HydrophobicContact CE3-CZ 3.95Å; W8-F12 WeakPolarHBondContact O-CD2 3.43Å; W8-F12 WeakPolarHBondContact O-CG 3.37Å; W8-F12 PolarHBondContact O-N 2.99Å; F12-G14 PolarHBondContact O-N 2.8Å; F12-A15 WeakPolarHBondContact O-CB 3.32Å; F12-A15 PolarHBondContact O-N 3.17Å; F12-A15 VanDerWaalsContact O-N 3.09Å; F12-I19 HydrophobicContact CB-CD1 4.33Å; F12-I19 HydrophobicContact CD1-CD1 4.2Å; F12-I19 HydrophobicContact CD2-CD1 3.49Å; F12-I19 VanDerWaalsContact CD2-CD1 3.49Å; F12-I19 HydrophobicContact CE1-CD1 4.41Å; F12-I19 HydrophobicContact CE2-CD1 3.71Å; F12-I19 HydrophobicContact CG-CD1 3.76Å; F12-I19 HydrophobicContact CZ-CD1 4.19Å; F12-V22 HydrophobicContact CD1-CB 4.36Å; F12-V22 HydrophobicContact CD1-CG1 3.76Å; F12-V22 HydrophobicContact CE1-CG1 3.57Å
13R79.5Confident80.4Confident215 Ų21592.2 Ų92.281%0.81151%0.51SS*.Hα-helixtrans-63.1-29.9173.6-172.5-177.9-61.9-80.73.2112.7R9 G10 F11R9-R13 WeakPolarHBondContact O-CB 3.49Å; R9-R13 PolarHBondContact O-N 3.07Å; G10-R13 PolarHBondContact O-N 3.23Å; F11-R13 PolarHBondContact O-N 2.97Å
14G75.3Confident81.7Confident70 Ų7092.5 Ų92.572%0.72251%0.508SS*.Hα-helixtrans-78.8-15174.600000114.7G10 F11 F12G10-G14 PolarHBondContact O-N 2.97Å; F11-G14 PolarHBondContact O-N 3.28Å; F11-G14 VanDerWaalsContact O-N 3.14Å; F12-G14 PolarHBondContact O-N 2.8Å
15A72.8Confident82.2Confident57 Ų5795.3 Ų95.347%0.47152%0.515SS..THydrogen-bonded Turntrans-84.9-8-17700000114.1F11 F12 A17F11-A15 PolarHBondContact O-N 3.36Å; F12-A15 WeakPolarHBondContact O-CB 3.32Å; F12-A15 PolarHBondContact O-N 3.17Å; F12-A15 VanDerWaalsContact O-N 3.09Å; A15-A17 PolarHBondContact O-N 2.82Å
16G75.4Confident82.7Confident78 Ų7892.9 Ų92.980%0.80451%0.51SS*.SBendtrans74.2-28179.100000115.6
17A74.2Confident83.2Confident43 Ų4391.4 Ų91.436%0.35550%0.502SS..SBendtrans-79.1154.6175.500000113.1A15 D21 V22A15-A17 PolarHBondContact O-N 2.82Å; A17-D21 HydrophobicContact CB-CB 4.42Å; A17-V22 HydrophobicContact CB-CG2 3.72Å
18G83.9Confident83.6Confident32 Ų3287.9 Ų87.933%0.3350%0.497SS..  trans-65.3153.3171.200000112.3C20 D21 V22G18-C20 PolarHBondContact O-N 3.16Å; G18-D21 WeakPolarHBondContact CA-OD2 3.16Å; G18-D21 PolarHBondContact N-OD2 3.28Å; G18-D21 PolarHBondContact O-N 2.94Å; G18-V22 WeakPolarHBondContact O-CG2 3.31Å; G18-V22 PolarHBondContact O-N 3.36Å
19I86.7Confident83.9Confident88 Ų8884.6 Ų84.645%0.45149%0.493SS..Hα-helixtrans-63-31.2-180-174.459.1000112.2F12 I23F12-I19 HydrophobicContact CB-CD1 4.33Å; F12-I19 HydrophobicContact CD1-CD1 4.2Å; F12-I19 HydrophobicContact CD2-CD1 3.49Å; F12-I19 VanDerWaalsContact CD2-CD1 3.49Å; F12-I19 HydrophobicContact CE1-CD1 4.41Å; F12-I19 HydrophobicContact CE2-CD1 3.71Å; F12-I19 HydrophobicContact CG-CD1 3.76Å; F12-I19 HydrophobicContact CZ-CD1 4.19Å; I19-I23 HydrophobicContact CD1-CD1 4.49Å; I19-I23 HydrophobicContact CG1-CD1 4.18Å; I19-I23 WeakPolarHBondContact O-CD1 3.45Å; I19-I23 VanDerWaalsContact O-CG1 3.24Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 3.3Å; I19-I23 VanDerWaalsContact O-N 3.13Å
20C85.5Confident84.4Confident75 Ų7578.2 Ų78.251%0.50748%0.476SS..Hα-helixtrans-66.3-53.4173.8-56.50000110.5G18 V22 I23 E24G18-C20 PolarHBondContact O-N 3.16Å; C20-V22 PolarHBondContact O-N 2.94Å; C20-I23 CarbonylContact O-C 3.56Å; C20-I23 WeakPolarHBondContact O-CA 3.4Å; C20-I23 WeakPolarHBondContact O-CB 3.46Å; C20-I23 PolarHBondContact O-N 3.33Å; C20-E24 PolarHBondContact O-N 2.91Å
21D86.8Confident84.8Confident74 Ų7478 Ų7840%0.39647%0.469SS..Hα-helixtrans-55.8-39.8179-18.7-18.2000111.3A17 G18 E24 N25A17-D21 HydrophobicContact CB-CB 4.42Å; G18-D21 WeakPolarHBondContact CA-OD2 3.16Å; G18-D21 PolarHBondContact N-OD2 3.28Å; G18-D21 PolarHBondContact O-N 2.94Å; D21-E24 PolarHBondContact O-N 3.4Å; D21-N25 WeakPolarHBondContact O-CB 3.45Å; D21-N25 PolarHBondContact O-N 3.32Å; D21-N25 PolarHBondContact O-ND2 3.14Å
22V87.7Confident85.2Confident35 Ų3575.3 Ų75.321%0.21247%0.471CS..Hα-helixtrans-70.2-33.3176.3179.20000112.1F12 A17 G18 C20 A26F12-V22 HydrophobicContact CD1-CB 4.36Å; F12-V22 HydrophobicContact CD1-CG1 3.76Å; F12-V22 HydrophobicContact CE1-CG1 3.57Å; A17-V22 HydrophobicContact CB-CG2 3.72Å; G18-V22 WeakPolarHBondContact O-CG2 3.31Å; G18-V22 PolarHBondContact O-N 3.36Å; C20-V22 PolarHBondContact O-N 2.94Å; V22-A26 WeakPolarHBondContact O-CB 3.45Å; V22-A26 PolarHBondContact O-N 3.26Å
23I89Confident85.8Confident80 Ų8079.3 Ų79.341%0.4150%0.495SS..Hα-helixtrans-68.8-44.3173-72.2163.8000110.6I19 C20 A26 I27I19-I23 HydrophobicContact CD1-CD1 4.49Å; I19-I23 HydrophobicContact CG1-CD1 4.18Å; I19-I23 WeakPolarHBondContact O-CD1 3.45Å; I19-I23 VanDerWaalsContact O-CG1 3.24Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 3.3Å; I19-I23 VanDerWaalsContact O-N 3.13Å; C20-I23 CarbonylContact O-C 3.56Å; C20-I23 WeakPolarHBondContact O-CA 3.4Å; C20-I23 WeakPolarHBondContact O-CB 3.46Å; C20-I23 PolarHBondContact O-N 3.33Å; I23-A26 PolarHBondContact O-N 2.85Å; I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 WeakPolarHBondContact O-CB 3.4Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.49Å; I23-I27 PolarHBondContact O-N 2.8Å
24E88.4Confident86.2Confident119 Ų11971 Ų7156%0.55647%0.472SS*.Hα-helixtrans-62.9-49.4178-71.3170.8-148.100111.6C20 D21 A26 I27 L28C20-E24 PolarHBondContact O-N 2.91Å; D21-E24 PolarHBondContact O-N 3.4Å; E24-A26 VanDerWaalsContact C-N 3.33Å; E24-A26 PolarHBondContact O-N 3.33Å; E24-I27 WeakPolarHBondContact O-CB 3.28Å; E24-I27 PolarHBondContact O-N 3.04Å; E24-I27 VanDerWaalsContact O-N 3.14Å; E24-L28 WeakPolarHBondContact O-CG 3.46Å; E24-L28 PolarHBondContact O-N 3.33Å
25N87.5Confident86.9Confident95 Ų9570.8 Ų70.851%0.50846%0.459SS..Hα-helixtrans-63.3-37.4175.2-78.1-79.3000112D21 I27 L28 V29D21-N25 WeakPolarHBondContact O-CB 3.45Å; D21-N25 PolarHBondContact O-N 3.32Å; D21-N25 PolarHBondContact O-ND2 3.14Å; N25-I27 VanDerWaalsContact C-N 3.33Å; N25-I27 PolarHBondContact O-N 3.36Å; N25-L28 PolarHBondContact O-N 3.43Å; N25-V29 WeakPolarHBondContact O-CB 3.3Å; N25-V29 WeakPolarHBondContact O-CG2 3.41Å; N25-V29 PolarHBondContact O-N 2.9Å
26A89.9Confident87.5Confident58 Ų5877.9 Ų77.948%0.47947%0.473SS..Hα-helixtrans-67.1-31.8174.400000112.9V22 I23 E24 A30V22-A26 WeakPolarHBondContact O-CB 3.45Å; V22-A26 PolarHBondContact O-N 3.26Å; I23-A26 PolarHBondContact O-N 2.85Å; E24-A26 VanDerWaalsContact C-N 3.33Å; E24-A26 PolarHBondContact O-N 3.33Å; A26-A30 WeakPolarHBondContact O-CB 3.21Å; A26-A30 PolarHBondContact O-N 2.75Å
27I90.4Very high88.1Confident64 Ų6478 Ų7833%0.32846%0.456SS..Hα-helixtrans-67.8-46.4172.2-75.4164.9000110.4I23 E24 N25 A30 A31 F38I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 WeakPolarHBondContact O-CB 3.4Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.49Å; I23-I27 PolarHBondContact O-N 2.8Å; E24-I27 WeakPolarHBondContact O-CB 3.28Å; E24-I27 PolarHBondContact O-N 3.04Å; E24-I27 VanDerWaalsContact O-N 3.14Å; N25-I27 VanDerWaalsContact C-N 3.33Å; N25-I27 PolarHBondContact O-N 3.36Å; I27-A30 PolarHBondContact O-N 3.27Å; I27-A31 WeakPolarHBondContact O-CB 3.31Å; I27-A31 PolarHBondContact O-N 3.47Å; I27-F38 HydrophobicContact CG1-CE2 4.38Å; I27-F38 HydrophobicContact CG2-CE2 4.15Å; I27-F38 HydrophobicContact CG2-CZ 3.81Å
28L90.7Very high89Confident115 Ų11578.1 Ų78.160%0.60245%0.448SS*.Hα-helixtrans-61.5-47177.7-68.7171.8000111.9E24 N25 A31 A32E24-L28 WeakPolarHBondContact O-CG 3.46Å; E24-L28 PolarHBondContact O-N 3.33Å; N25-L28 PolarHBondContact O-N 3.43Å; L28-A31 PolarHBondContact O-N 3.31Å; L28-A32 PolarHBondContact O-N 2.91Å
29V90.7Very high89.1Confident82 Ų8281.8 Ų81.850%0.49746%0.459SS..Hα-helixtrans-63-42.9175.7171.30000111.3N25 A31 A32 D33N25-V29 WeakPolarHBondContact O-CB 3.3Å; N25-V29 WeakPolarHBondContact O-CG2 3.41Å; N25-V29 PolarHBondContact O-N 2.9Å; V29-A31 VanDerWaalsContact C-N 3.31Å; V29-A31 PolarHBondContact O-N 3.02Å; V29-A32 PolarHBondContact O-N 3.02Å; V29-D33 WeakPolarHBondContact O-CB 3.39Å; V29-D33 PolarHBondContact O-N 3.36Å
30A91.6Very high89.2Confident32 Ų3285.4 Ų85.426%0.26447%0.474SS..Hα-helixtrans-64.7-33.8176.800000113A26 I27 A34 F38A26-A30 WeakPolarHBondContact O-CB 3.21Å; A26-A30 PolarHBondContact O-N 2.75Å; I27-A30 PolarHBondContact O-N 3.27Å; A30-A34 CarbonylContact O-C 3.49Å; A30-A34 WeakPolarHBondContact O-CA 3.44Å; A30-A34 PolarHBondContact O-N 3.39Å; A30-A34 VanDerWaalsContact O-N 3.09Å; A30-F38 HydrophobicContact CB-CD2 3.79Å; A30-F38 HydrophobicContact CB-CE2 4.47Å; A30-F38 HydrophobicContact CB-CG 4.42Å
31A90.6Very high89.3Confident41 Ų4188.6 Ų88.634%0.33948%0.475SS..Hα-helixtrans-71.2-34174.600000112.6I27 L28 V29 P35 F38I27-A31 WeakPolarHBondContact O-CB 3.31Å; I27-A31 PolarHBondContact O-N 3.47Å; L28-A31 PolarHBondContact O-N 3.31Å; V29-A31 VanDerWaalsContact C-N 3.31Å; V29-A31 PolarHBondContact O-N 3.02Å; A31-P35 WeakPolarHBondContact O-CB 3.46Å; A31-P35 WeakPolarHBondContact O-CD 3.37Å; A31-F38 HydrophobicContact CB-CD1 4.3Å
32A91.6Very high89.6Confident75 Ų7591.5 Ų91.562%0.6248%0.481SS*.Hα-helixtrans-76.6-54.8177.400000112.8L28 V29 P35L28-A32 PolarHBondContact O-N 2.91Å; V29-A32 PolarHBondContact O-N 3.02Å; A32-P35 WeakPolarHBondContact O-CD 3.29Å
33D93.3Very high89.6Confident137 Ų13794.4 Ų94.473%0.73350%0.495SS*.Hα-helixtrans-79.2-31-173.5-72.3-14.9000112.9V29V29-D33 WeakPolarHBondContact O-CB 3.39Å; V29-D33 PolarHBondContact O-N 3.36Å
34A89.5Confident89.6Confident40 Ų4097.9 Ų97.933%0.33150%0.503SS..  trans-136.744.2-169.200000114.2A30 R36 D37 F38A30-A34 CarbonylContact O-C 3.49Å; A30-A34 WeakPolarHBondContact O-CA 3.44Å; A30-A34 PolarHBondContact O-N 3.39Å; A30-A34 VanDerWaalsContact O-N 3.09Å; A34-R36 VanDerWaalsContact C-N 3.28Å; A34-R36 PolarHBondContact O-N 3.14Å; A34-R36 VanDerWaalsContact O-N 3.08Å; A34-D37 HydrophobicContact CB-CB 4.18Å; A34-D37 PolarHBondContact O-N 3.47Å; A34-F38 PolarHBondContact O-N 3.4Å
35P88.6Confident89.7Confident67 Ų6795.3 Ų95.344%0.43549%0.493SS..Hα-helixtrans-53.8-39.6-170.117.3-31000114.1A31 A32 L39A31-P35 WeakPolarHBondContact O-CB 3.46Å; A31-P35 WeakPolarHBondContact O-CD 3.37Å; A32-P35 WeakPolarHBondContact O-CD 3.29Å; P35-L39 VanDerWaalsContact O-CG 3.29Å; P35-L39 WeakPolarHBondContact O-CG 3.47Å; P35-L39 PolarHBondContact O-N 3.47Å
36R85.9Confident89.7Confident205 Ų20592.5 Ų92.577%0.77448%0.483SS*.Hα-helixtrans-66.3-45.7177.4-65.2-179.3-175.9-104-1111.7A34 L39 H40A34-R36 VanDerWaalsContact C-N 3.28Å; A34-R36 PolarHBondContact O-N 3.14Å; A34-R36 VanDerWaalsContact O-N 3.08Å; R36-L39 PolarHBondContact O-N 3.41Å; R36-H40 PolarHBondContact O-N 3.02Å; R36-H40 PolarHBondContact O-ND1 2.84Å
37D88.7Confident89.7Confident82 Ų8295.4 Ų95.444%0.43949%0.486SS..Hα-helixtrans-69.7-35.7179.3-105.254000111.6A34 R41A34-D37 HydrophobicContact CB-CB 4.18Å; A34-D37 PolarHBondContact O-N 3.47Å; D37-R41 WeakPolarHBondContact O-CB 3.31Å; D37-R41 WeakPolarHBondContact O-CD 3.06Å; D37-R41 WeakPolarHBondContact O-CG 3.31Å; D37-R41 PolarHBondContact O-N 3.28Å; D37-R41 VanDerWaalsContact O-N 3.13Å; D37-R41 IonicContact OD2-CZ 3.61Å; D37-R41 IonicContact OD2-NE 3.1Å; D37-R41 PolarHBondContact OD2-NE 2.94Å; D37-R41 IonicContact OD2-NH2 2.7Å; D37-R41 PolarHBondContact OD2-NH2 2.9Å
38F91.4Very high89.5Confident45 Ų45100 Ų10020%0.19750%0.499CS..Hα-helixtrans-62.2-47.6173.7-178.4-105.2000111.2I27 A30 A31 A34 H40 R41 R42 I45I27-F38 HydrophobicContact CG1-CE2 4.38Å; I27-F38 HydrophobicContact CG2-CE2 4.15Å; I27-F38 HydrophobicContact CG2-CZ 3.81Å; A30-F38 HydrophobicContact CB-CD2 3.79Å; A30-F38 HydrophobicContact CB-CE2 4.47Å; A30-F38 HydrophobicContact CB-CG 4.42Å; A31-F38 HydrophobicContact CB-CD1 4.3Å; A34-F38 PolarHBondContact O-N 3.4Å; F38-H40 PolarHBondContact O-N 2.85Å; F38-R41 CarbonylContact O-C 3.14Å; F38-R41 PolarHBondContact O-N 3.46Å; F38-R42 PolarHBondContact O-N 3.3Å; F38-I45 HydrophobicContact CD2-CD1 4.39Å; F38-I45 HydrophobicContact CE2-CD1 4.11Å
39L87Confident89.3Confident108 Ų10899.3 Ų99.357%0.56550%0.496SS*.Hα-helixtrans-57.6-47.6175.7-73.9168.2000112.6P35 R36 R41 R42P35-L39 VanDerWaalsContact O-CG 3.29Å; P35-L39 WeakPolarHBondContact O-CG 3.47Å; P35-L39 PolarHBondContact O-N 3.47Å; R36-L39 PolarHBondContact O-N 3.41Å; L39-R41 PolarHBondContact O-N 2.86Å; L39-R42 WeakPolarHBondContact O-CB 3.46Å; L39-R42 PolarHBondContact O-N 3.02Å
40H87.8Confident89Confident165 Ų165102.1 Ų102.176%0.76450%0.502SS*.Hα-helixtrans-66.2-15.9176.5-69.590.5000114R36 F38R36-H40 PolarHBondContact O-N 3.02Å; R36-H40 PolarHBondContact O-ND1 2.84Å; F38-H40 PolarHBondContact O-N 2.85Å
41R89Confident88.6Confident141 Ų141103.8 Ų103.853%0.53251%0.509SS..Hα-helixtrans-105-16.3179.9-68170.5-167.9-138.59.1113.3D37 F38 L39 D43 R44 I45D37-R41 WeakPolarHBondContact O-CB 3.31Å; D37-R41 WeakPolarHBondContact O-CD 3.06Å; D37-R41 WeakPolarHBondContact O-CG 3.31Å; D37-R41 PolarHBondContact O-N 3.28Å; D37-R41 VanDerWaalsContact O-N 3.13Å; D37-R41 IonicContact OD2-CZ 3.61Å; D37-R41 IonicContact OD2-NE 3.1Å; D37-R41 PolarHBondContact OD2-NE 2.94Å; D37-R41 IonicContact OD2-NH2 2.7Å; D37-R41 PolarHBondContact OD2-NH2 2.9Å; F38-R41 CarbonylContact O-C 3.14Å; F38-R41 PolarHBondContact O-N 3.46Å; L39-R41 PolarHBondContact O-N 2.86Å; R41-D43 VanDerWaalsContact C-N 3.31Å; R41-D43 PolarHBondContact O-N 3.44Å; R41-R44 PolarHBondContact O-N 2.98Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R41-I45 HydrophobicContact CB-CD1 4.23Å; R41-I45 WeakPolarHBondContact O-CG1 3.28Å; R41-I45 PolarHBondContact O-N 2.97Å
42R91.9Very high87.9Confident136 Ų136104.5 Ų104.551%0.51352%0.515SS..Hα-helixtrans-45.9-52.8-177-176.7-16467.8179.3-3.1111.8F38 L39 R44 I45 A46F38-R42 PolarHBondContact O-N 3.3Å; L39-R42 WeakPolarHBondContact O-CB 3.46Å; L39-R42 PolarHBondContact O-N 3.02Å; R42-R44 VanDerWaalsContact C-N 3.3Å; R42-R44 PolarHBondContact O-N 3.3Å; R42-I45 WeakPolarHBondContact O-CA 3.48Å; R42-I45 WeakPolarHBondContact O-CB 3.41Å; R42-I45 PolarHBondContact O-N 3.43Å; R42-A46 PolarHBondContact O-N 2.96Å
43D87.5Confident86.6Confident96 Ų96107 Ų10751%0.51352%0.516SS..Hα-helixtrans-67.1-35-172.7-55.2-17.9000111.5R41 A46 E47R41-D43 VanDerWaalsContact C-N 3.31Å; R41-D43 PolarHBondContact O-N 3.44Å; D43-A46 PolarHBondContact O-N 3.12Å; D43-E47 VanDerWaalsContact O-CB 3.32Å; D43-E47 WeakPolarHBondContact O-CB 3.46Å; D43-E47 PolarHBondContact O-N 3.3Å
44R89.6Confident85.1Confident153 Ų153110.4 Ų110.458%0.57752%0.519SS*.Hα-helixtrans-75.5-22.1174.2-170.8179.7179.9-135.35.6113.3R41 R42 R48R41-R44 PolarHBondContact O-N 2.98Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R42-R44 VanDerWaalsContact C-N 3.3Å; R42-R44 PolarHBondContact O-N 3.3Å; R44-R48 WeakPolarHBondContact O-CD 3.34Å; R44-R48 VanDerWaalsContact O-CG 3.31Å; R44-R48 WeakPolarHBondContact O-CG 3.3Å; R44-R48 PolarHBondContact O-N 3.47Å
45I90.3Very high83.6Confident65 Ų65117 Ų11733%0.33354%0.536SS..Hα-helixtrans-75.6-46.9169.8-65.9164.1000108.8F38 R41 R42 R48 L49F38-I45 HydrophobicContact CD2-CD1 4.39Å; F38-I45 HydrophobicContact CE2-CD1 4.11Å; R41-I45 HydrophobicContact CB-CD1 4.23Å; R41-I45 WeakPolarHBondContact O-CG1 3.28Å; R41-I45 PolarHBondContact O-N 2.97Å; R42-I45 WeakPolarHBondContact O-CA 3.48Å; R42-I45 WeakPolarHBondContact O-CB 3.41Å; R42-I45 PolarHBondContact O-N 3.43Å; I45-R48 WeakPolarHBondContact O-CB 3.24Å; I45-R48 PolarHBondContact O-N 3.14Å; I45-R48 VanDerWaalsContact O-N 3.17Å; I45-L49 HydrophobicContact CG2-CD1 4.3Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 3.12Å
46A88.7Confident82.1Confident36 Ų36121 Ų12130%0.29855%0.553SS.*Hα-helixtrans-59-49.6175.300000112.2R42 D43 R48 L49 F50R42-A46 PolarHBondContact O-N 2.96Å; D43-A46 PolarHBondContact O-N 3.12Å; A46-R48 PolarHBondContact O-N 3.28Å; A46-R48 VanDerWaalsContact O-N 3.17Å; A46-L49 PolarHBondContact O-N 3.25Å; A46-F50 VanDerWaalsContact O-CD2 3.25Å; A46-F50 WeakPolarHBondContact O-CD2 3.49Å; A46-F50 PolarHBondContact O-N 3.21Å
47E88Confident80.2Confident119 Ų119115 Ų11556%0.55655%0.547SS*.Hα-helixtrans-48.3-44173.4-177.4-162.2-171.400111.6D43 T51D43-E47 VanDerWaalsContact O-CB 3.32Å; D43-E47 WeakPolarHBondContact O-CB 3.46Å; D43-E47 PolarHBondContact O-N 3.3Å; E47-T51 WeakPolarHBondContact O-CB 3.46Å; E47-T51 PolarHBondContact O-N 2.86Å; E47-T51 PolarHBondContact O-OG1 2.73Å
48R86.8Confident78.3Confident159 Ų159114.5 Ų114.560%0.656%0.555SS**Hα-helixtrans-71.3-36.6179-78.4175.8165.2-157.5-7.5113.8R44 I45 A46 A52R44-R48 WeakPolarHBondContact O-CD 3.34Å; R44-R48 VanDerWaalsContact O-CG 3.31Å; R44-R48 WeakPolarHBondContact O-CG 3.3Å; R44-R48 PolarHBondContact O-N 3.47Å; I45-R48 WeakPolarHBondContact O-CB 3.24Å; I45-R48 PolarHBondContact O-N 3.14Å; I45-R48 VanDerWaalsContact O-N 3.17Å; A46-R48 PolarHBondContact O-N 3.28Å; A46-R48 VanDerWaalsContact O-N 3.17Å; R48-A52 VanDerWaalsContact O-CB 3.29Å; R48-A52 WeakPolarHBondContact O-CB 3.28Å; R48-A52 PolarHBondContact O-N 2.91Å
49L87.7Confident76.7Confident102 Ų102117.9 Ų117.953%0.53458%0.581SS.*Hα-helixtrans-63.8-51.4175.4-68.4169.5000110.2I45 A46 T51 A52 L53I45-L49 HydrophobicContact CG2-CD1 4.3Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 3.12Å; A46-L49 PolarHBondContact O-N 3.25Å; L49-T51 PolarHBondContact O-N 3.47Å; L49-A52 PolarHBondContact O-N 3.43Å; L49-L53 PolarHBondContact O-N 3.3Å
50F84.1Confident75Confident141 Ų141117.5 Ų117.562%0.61859%0.585SS**Hα-helixtrans-63.4-38.7176.2-70-68.5000112.7A46 A52 L53 R54A46-F50 VanDerWaalsContact O-CD2 3.25Å; A46-F50 WeakPolarHBondContact O-CD2 3.49Å; A46-F50 PolarHBondContact O-N 3.21Å; F50-A52 VanDerWaalsContact C-N 3.31Å; F50-A52 PolarHBondContact O-N 3.09Å; F50-L53 PolarHBondContact O-N 2.82Å; F50-R54 WeakPolarHBondContact O-CB 3.47Å; F50-R54 WeakPolarHBondContact O-CG 3.29Å; F50-R54 PolarHBondContact O-N 3.23Å
51T83.5Confident73.1Confident67 Ų67115.3 Ų115.341%0.41159%0.589SS.*Hα-helixtrans-72.1-21.9177.6-60.80000113.6E47 L49 R55E47-T51 WeakPolarHBondContact O-CB 3.46Å; E47-T51 PolarHBondContact O-N 2.86Å; E47-T51 PolarHBondContact O-OG1 2.73Å; L49-T51 PolarHBondContact O-N 3.47Å; T51-R55 PolarHBondContact O-NH1 2.86Å
52A74.5Confident70.9Confident56 Ų56117.9 Ų117.946%0.46360%0.604SS.*Hα-helixtrans-77.2-52.4169.300000110.2R48 L49 F50 R54 R55R48-A52 VanDerWaalsContact O-CB 3.29Å; R48-A52 WeakPolarHBondContact O-CB 3.28Å; R48-A52 PolarHBondContact O-N 2.91Å; L49-A52 PolarHBondContact O-N 3.43Å; F50-A52 VanDerWaalsContact C-N 3.31Å; F50-A52 PolarHBondContact O-N 3.09Å; A52-R54 VanDerWaalsContact C-N 3.31Å; A52-R54 PolarHBondContact O-N 3.43Å; A52-R55 WeakPolarHBondContact O-CB 3.36Å; A52-R55 PolarHBondContact O-N 2.98Å
53L65.5Low68.5Low126 Ų126114.5 Ų114.566%0.6661%0.611SS**Hα-helixtrans-58.9-40-177.9-169.862.6000112.5L49 F50 R55 D56L49-L53 PolarHBondContact O-N 3.3Å; F50-L53 PolarHBondContact O-N 2.82Å; L53-R55 PolarHBondContact O-N 3.03Å; L53-R55 VanDerWaalsContact O-N 3.12Å; L53-D56 PolarHBondContact O-N 2.67Å
54R60.7Low66.2Low210 Ų210115.8 Ų115.879%0.79263%0.628SS**Hα-helixtrans-67.8-3.6175.5-72.4-169.872.5172.46.6115.3F50 A52F50-R54 WeakPolarHBondContact O-CB 3.47Å; F50-R54 WeakPolarHBondContact O-CG 3.29Å; F50-R54 PolarHBondContact O-N 3.23Å; A52-R54 VanDerWaalsContact C-N 3.31Å; A52-R54 PolarHBondContact O-N 3.43Å
55R59.4Low63.9Low179 Ų179113.3 Ų113.368%0.67564%0.64SS**Hα-helixtrans-86.9-29.4173.7-85.5-171.3167.675.73.1114.1T51 A52 L53T51-R55 PolarHBondContact O-NH1 2.86Å; A52-R55 WeakPolarHBondContact O-CB 3.36Å; A52-R55 PolarHBondContact O-N 2.98Å; L53-R55 PolarHBondContact O-N 3.03Å; L53-R55 VanDerWaalsContact O-N 3.12Å
56D55.2Low61.7Low151 Ų151114.8 Ų114.881%0.80766%0.662SS**Hα-helixtrans-90.3-12.8179.7-63.2-39.5000112.1L53 A58L53-D56 PolarHBondContact O-N 2.67Å; D56-A58 VanDerWaalsContact C-N 3.26Å; D56-A58 PolarHBondContact O-N 2.89Å
57A47.4Very low59.3Low78 Ų78117.8 Ų117.865%0.64569%0.686SS**  trans-84.425.1175.600000114.6
58A48.2Very low57Low72 Ų72117.9 Ų117.960%0.59570%0.701SS**  trans-96.2115.1175.700000109.9D56D56-A58 VanDerWaalsContact C-N 3.26Å; D56-A58 PolarHBondContact O-N 2.89Å
59P57.6Low55Low115 Ų115116.4 Ų116.475%0.74771%0.709SS**  trans-63.7144.1179.726-33.8000110.8S61P59-S61 PolarHBondContact O-N 3.25Å
60P51.9Low53.1Low100 Ų100118.1 Ų118.165%0.64972%0.724SS**  trans-65.6107.2178.626.7-33.8000110.1F62P60-F62 HydrophobicContact CB-CD2 4.47Å; P60-F62 HydrophobicContact CB-CE2 4.17Å; P60-F62 HydrophobicContact CG-CD2 4.34Å; P60-F62 HydrophobicContact CG-CE2 3.81Å; P60-F62 VanDerWaalsContact O-CD2 3.25Å; P60-F62 WeakPolarHBondContact O-CD2 3.48Å; P60-F62 PolarHBondContact O-N 3.42Å
61S46.8Very low51Low120 Ų120116.9 Ų116.984%0.83973%0.73SS**  trans-63.299.4172.7-174.50000109.6P59 G63P59-S61 PolarHBondContact O-N 3.25Å; S61-G63 PolarHBondContact O-N 2.89Å
62F44.1Very low49Very low195 Ų195118.2 Ų118.286%0.85575%0.748SS**  trans-73.376178.3-84.5-80.3000111P60 S64P60-F62 HydrophobicContact CB-CD2 4.47Å; P60-F62 HydrophobicContact CB-CE2 4.17Å; P60-F62 HydrophobicContact CG-CD2 4.34Å; P60-F62 HydrophobicContact CG-CE2 3.81Å; P60-F62 VanDerWaalsContact O-CD2 3.25Å; P60-F62 WeakPolarHBondContact O-CD2 3.48Å; P60-F62 PolarHBondContact O-N 3.42Å; F62-S64 PolarHBondContact O-N 2.74Å
63G40.3Very low47.9Very low65 Ų65121.7 Ų121.767%0.6776%0.764SS**  trans-65100.8176.200000112.7S61S61-G63 PolarHBondContact O-N 2.89Å
64S39Very low46.7Very low123 Ų123121.6 Ų121.686%0.8677%0.771SS**  trans29.399.6152.7-167.10000117.6F62F62-S64 PolarHBondContact O-N 2.74Å
65A42.4Very low46.6Very low100 Ų100118.7 Ų118.783%0.82678%0.776SS**  trans-132.396.5169.400000111.7
66A43Very low46.4Very low96 Ų96117.8 Ų117.879%0.79378%0.779SS**  trans11.7121.7162.900000119.8
67A38.3Very low46.4Very low99 Ų99116.9 Ų116.982%0.81877%0.77SS**  trans-60.4148.6167.900000113.3
68S41.4Very low46.7Very low122 Ų122120.9 Ų120.985%0.85378%0.781SS**  trans-148.7110.4162.8-80.60000111
69T43.1Very low47Very low128 Ų128124.3 Ų124.379%0.78578%0.782SS**  trans-69136-174-50.90000113.9
70T48.7Very low46.4Very low137 Ų137122.5 Ų122.584%0.8478%0.784SS**  trans-132.6137.6149.147.50000109.9
71P40.8Very low46.3Very low115 Ų115123.6 Ų123.675%0.74779%0.794SS**  trans-113.6172.3-170.141.7-35.9000115.7
72A41.2Very low46.3Very low95 Ų95124.8 Ų124.879%0.78580%0.796SS**  trans70139.6171.200000115.5
73T50.1Low46.8Very low129 Ų129126.3 Ų126.379%0.79180%0.796SS**  cis-140.1154.73344.50000114.5
74P41.7Very low47.3Very low125 Ų125134.9 Ų134.981%0.81281%0.809SS**  trans-86.7159.2170.936.5-34.5000113.1
75V57.2Low47.8Very low148 Ų148135.6 Ų135.690%0.89781%0.807SS**  trans-141.8153.2160.577.90000109.8
76E56.8Low48.1Very low160 Ų160134.6 Ų134.675%0.74880%0.799SS**  trans-86.9154.4-163.3-71.8-84.7103.800115
77E53.4Low48.4Very low133 Ų133137.4 Ų137.462%0.62180%0.795SS**  trans36.5124.2147.8-56.9-165.4144.900122.3K79E77-K79 VanDerWaalsContact CD-CE 3.49Å; E77-K79 WeakPolarHBondContact OE1-CE 3.37Å; E77-K79 IonicContact OE1-NZ 3.87Å; E77-K79 PolarHBondContact OE1-NZ 3.47Å; E77-K79 IonicContact OE2-NZ 2.65Å; E77-K79 PolarHBondContact OE2-NZ 3.05Å
78D54.1Low49.3Very low161 Ų161140.3 Ų140.386%0.86179%0.79SS**  -145.3167.9114.8-160.19.5000111
79K56.1Low49.8Very low145 Ų145143.9 Ų143.963%0.6379%0.793SS**  trans-131.5123-159.9-67.9145.5179.5159.80113.8E77E77-K79 VanDerWaalsContact CD-CE 3.49Å; E77-K79 WeakPolarHBondContact OE1-CE 3.37Å; E77-K79 IonicContact OE1-NZ 3.87Å; E77-K79 PolarHBondContact OE1-NZ 3.47Å; E77-K79 IonicContact OE2-NZ 2.65Å; E77-K79 PolarHBondContact OE2-NZ 3.05Å
80G44.3Very low50.4Low76 Ų76143 Ų14378%0.78479%0.791SS**  trans-177.9107.8168.700000110.5
81S49.3Very low50.4Low123 Ų123144.8 Ų144.886%0.8679%0.787SS**  cis79.964.930.4-148.50000115
82V48.1Very low51.3Low146 Ų146145.5 Ų145.589%0.88579%0.789SS**  trans-123.5148.4153.5179.40000108.1
83R54.3Low51.7Low226 Ų226146.8 Ų146.885%0.85378%0.783SS**  trans-90.3148.3-165.7-62.8173.3172.7156.9-4.5112.8
84R50.8Low52.3Low246 Ų246146.3 Ų146.393%0.92879%0.785SS**  trans-65.1145.6149.6-53.3-176.1-157139.20.1109
85V49Very low52.8Low138 Ų138146.2 Ų146.284%0.83679%0.787SS**  trans-124.8132.7160.9176.10000106.6
86A49.4Very low52.7Low78 Ų78143.8 Ų143.865%0.64578%0.776SS**  trans-109.6-175176.200000110.1
87E48.8Very low52.5Low155 Ų155143.5 Ų143.572%0.72478%0.78SS**  trans69.5103.8168.5-46.5170.1-17000116.1
88K55.8Low52Low161 Ų161140.3 Ų140.370%0.778%0.783SS**  177.4122.994.8-94.1137.6-155.51150113.2
89E52.9Low51.7Low196 Ų196139.5 Ų139.592%0.91678%0.784SS**  trans-65.4140.6159.4-61.1164.393.200109.8
90C55.4Low51.2Low111 Ų111142 Ų14275%0.7580%0.797SS**  trans-124.987.4172.8-71.80000109.8
91K49.3Very low51.2Low174 Ų174141.9 Ų141.976%0.75780%0.796SS**  trans-72125.5174.5-174.8168.5-179.91680110.1
92V60.5Low50.9Low130 Ų130140.2 Ų140.279%0.78880%0.799SS**  trans-126.389.4177.5-74.30000111
93D47.6Very low50.6Low121 Ų121137.3 Ų137.365%0.64780%0.798SS**  trans-68.7139.9170.1-57.7-77.4000110.4
94S63.6Low49.9Very low120 Ų120130.1 Ų130.184%0.83980%0.795SS**  trans-151.973.5175.9-77.50000112
95S51.7Low49.7Very low122 Ų122128 Ų12885%0.85380%0.795SS**  trans-77.7147.4161.7-44.30000110.6
96S56.5Low49.5Very low97 Ų97125.3 Ų125.368%0.67880%0.796SS**  trans167.8125.4137.2-1770000112.2
97N51.6Low49.4Very low154 Ų154131.3 Ų131.382%0.82481%0.81SS**  trans55.1134.1157.3-55.5-15.6000119.3
98G43.7Very low49.2Very low67 Ų67127.2 Ų127.269%0.69181%0.809SS**  cis100.2113.73.400000113.8
99T47.8Very low49.2Very low143 Ų143127.9 Ų127.988%0.87781%0.814SS**  trans-163.2147.2166.8-80.90000110.7
100H45.3Very low49Very low197 Ų197122.3 Ų122.391%0.91280%0.802SS**  trans-97.1160.1-177-72.8-107.3000114.2
101G44.3Very low49Very low74 Ų74123.2 Ų123.276%0.76380%0.799SS**  trans154.511916600000108.5
102G42.5Very low49.5Very low88 Ų88124.3 Ų124.391%0.90781%0.807SS**  cis84.711441.500000107.9
103G41.5Very low49.2Very low85 Ų85125.9 Ų125.988%0.87681%0.811SS**  cis137.2114.912.200000107.8
104G40.7Very low49.9Very low76 Ų76127.3 Ų127.378%0.78482%0.819SS**  trans-169120.6-174.700000113
105H44.9Very low49.6Very low201 Ų201129.4 Ų129.493%0.93182%0.82SS**  trans-92.4148.7168.2-74.836.2000109.8
106G44.9Very low50Low82 Ų82128.5 Ų128.585%0.84581%0.814SS**  trans-147.3115.8171.600000110.8
107H47.7Very low49.9Very low204 Ų204132.2 Ų132.294%0.94483%0.826SS**  trans-102.4140.4-178.7-117.9-69.1000110.9
108G45.2Very low50.3Low68 Ų68128.6 Ų128.670%0.70181%0.813SS**  trans157.6115.7165.200000110.2
109H54.7Low51.4Low175 Ų175131 Ų13181%0.8181%0.81SS**  103.5145.354.9-168.6-51000109.3D111H109-D111 IonicContact CE1-OD2 3.95Å; H109-D111 PolarHBondContact CE1-OD2 3.09Å; H109-D111 IonicContact ND1-OD2 3.36Å; H109-D111 PolarHBondContact ND1-OD2 3.49Å
110A50.5Low52.2Low80 Ų80129.1 Ų129.166%0.66180%0.795SS**  trans80.4102.2-161.800000110
111D54Low53.2Low129 Ų129124.1 Ų124.169%0.6977%0.772SS**  cis69.6101.648.2-46.2-54.4000111.9H109H109-D111 IonicContact CE1-OD2 3.95Å; H109-D111 PolarHBondContact CE1-OD2 3.09Å; H109-D111 IonicContact ND1-OD2 3.36Å; H109-D111 PolarHBondContact ND1-OD2 3.49Å
112E59.1Low54.2Low197 Ų197130 Ų13092%0.92177%0.771SS**  trans-178.5137.8132.4-99.3168-155.300109
113D55.6Low55.3Low164 Ų164131.5 Ų131.588%0.87776%0.758SS**  trans-87138.3-171.2-43.5-95.8000112.8
114D62.2Low56.7Low151 Ų151135 Ų13581%0.80774%0.744SS**  trans-150.1109.3158-163.719.4000111
115D56.9Low58Low163 Ų163140 Ų14087%0.87274%0.739SS**  trans-82111.5176-77.3-57.3000110
116S59.8Low59Low103 Ų103133.4 Ų133.472%0.7272%0.72SS**  trans-138.9119.7170.6-93.40000113.3
117D55.3Low59.9Low176 Ų176133 Ų13394%0.94171%0.709SS**  trans-60.6131.1176.3-75.7-57.2000112.6
118S58.6Low60.7Low78 Ų78127 Ų12755%0.54570%0.695SS.*  trans-153.4107.6160.7-175.80000111.3D120S118-D120 PolarHBondContact O-N 3.31Å
119D67.1Low61.5Low118 Ų118128.5 Ų128.563%0.63169%0.694SS**THydrogen-bonded Turntrans-64.9-13.5176.4-84.8-60.8000113.7E121 R122 L123D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 2.88Å; D119-R122 WeakPolarHBondContact O-CB 3.43Å; D119-R122 PolarHBondContact O-N 3.01Å; D119-L123 PolarHBondContact O-N 3.35Å; D119-L123 VanDerWaalsContact O-N 3.14Å
120D65.1Low61.8Low103 Ų103126.8 Ų126.855%0.55169%0.691SS**Hα-helixtrans-58.4-40.7-175.7-81.6-51.5000112.9S118 R122 L123 R124S118-D120 PolarHBondContact O-N 3.31Å; D120-R122 PolarHBondContact O-N 3.16Å; D120-L123 PolarHBondContact O-N 3.07Å; D120-R124 VanDerWaalsContact O-CB 3.31Å; D120-R124 WeakPolarHBondContact O-CB 3.29Å; D120-R124 PolarHBondContact O-N 2.94Å
121E65.9Low62.1Low92 Ų92134 Ų13443%0.4370%0.703SS.*Hα-helixtrans-68.8-26.5-179.8-170.656.4-154.300111.6D119 R124 R125D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 2.88Å; E121-R124 WeakPolarHBondContact OE2-CD 3.11Å; E121-R124 IonicContact OE2-CZ 2.73Å; E121-R124 IonicContact OE2-NE 3.95Å; E121-R124 IonicContact OE2-NH1 2.68Å; E121-R124 PolarHBondContact OE2-NH1 3.19Å; E121-R125 WeakPolarHBondContact O-CB 3.38Å; E121-R125 PolarHBondContact O-N 3.14Å
122R66.1Low62Low197 Ų197131.1 Ų131.174%0.74370%0.703SS**Hα-helixtrans-75.2-39.1176.7-153.5174.9-178.3-150.4-0.9111.5D119 D120 A126D119-R122 WeakPolarHBondContact O-CB 3.43Å; D119-R122 PolarHBondContact O-N 3.01Å; D120-R122 PolarHBondContact O-N 3.16Å; R122-A126 PolarHBondContact O-N 3.37Å; R122-A126 VanDerWaalsContact O-N 3.1Å
123L66.2Low62.1Low120 Ų120128.5 Ų128.563%0.62869%0.69SS**Hα-helixtrans-65.4-43.5169.8-81162000111.9D119 D120 R125 A126 A127D119-L123 PolarHBondContact O-N 3.35Å; D119-L123 VanDerWaalsContact O-N 3.14Å; D120-L123 PolarHBondContact O-N 3.07Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-R125 PolarHBondContact O-N 2.76Å; L123-A126 PolarHBondContact O-N 2.9Å; L123-A127 PolarHBondContact O-N 3.34Å
124R69.8Low62Low159 Ų159126.7 Ų126.760%0.668%0.681SS**Hα-helixtrans-60.5-42.4177.2-168.8179.6-68.8148.1-5.8111.7D120 E121 A127 A128D120-R124 VanDerWaalsContact O-CB 3.31Å; D120-R124 WeakPolarHBondContact O-CB 3.29Å; D120-R124 PolarHBondContact O-N 2.94Å; E121-R124 WeakPolarHBondContact OE2-CD 3.11Å; E121-R124 IonicContact OE2-CZ 2.73Å; E121-R124 IonicContact OE2-NE 3.95Å; E121-R124 IonicContact OE2-NH1 2.68Å; E121-R124 PolarHBondContact OE2-NH1 3.19Å; R124-A127 PolarHBondContact O-N 2.98Å; R124-A128 PolarHBondContact O-N 2.84Å; R124-A128 VanDerWaalsContact O-N 3.11Å
125R67.4Low61.8Low180 Ų180129 Ų12968%0.67968%0.68SS**Hα-helixtrans-69.4-33.9176.5-150.1177.8-154.196.2-3.2113.1E121 L123 S129E121-R125 WeakPolarHBondContact O-CB 3.38Å; E121-R125 PolarHBondContact O-N 3.14Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-R125 PolarHBondContact O-N 2.76Å; R125-S129 PolarHBondContact O-N 3.22Å
126A67.8Low61.8Low62 Ų62128.1 Ų128.151%0.51268%0.675SS.*Hα-helixtrans-66.9-42.5173.200000112R122 L123 A128 S129R122-A126 PolarHBondContact O-N 3.37Å; R122-A126 VanDerWaalsContact O-N 3.1Å; L123-A126 PolarHBondContact O-N 2.9Å; A126-A128 PolarHBondContact O-N 2.99Å; A126-S129 PolarHBondContact O-N 3.19Å
127A63.7Low61.4Low75 Ų75130.4 Ų130.462%0.6268%0.679SS**Hα-helixtrans-62.2-41175.800000112.4L123 R124 S129 N130L123-A127 PolarHBondContact O-N 3.34Å; R124-A127 PolarHBondContact O-N 2.98Å; A127-S129 PolarHBondContact O-N 3.29Å; A127-N130 PolarHBondContact O-N 2.89Å
128A63Low61.5Low78 Ų78130.1 Ų130.165%0.64568%0.678SS**Hα-helixtrans-66.6-20.417700000114.1R124 A126R124-A128 PolarHBondContact O-N 2.84Å; R124-A128 VanDerWaalsContact O-N 3.11Å; A126-A128 PolarHBondContact O-N 2.99Å
129S62Low61.4Low98 Ų98133.9 Ų133.969%0.68569%0.692SS**THydrogen-bonded Turntrans-82.6-7.9-178.7-169.20000114.3R125 A126 A127R125-S129 PolarHBondContact O-N 3.22Å; A126-S129 PolarHBondContact O-N 3.19Å; A127-S129 PolarHBondContact O-N 3.29Å
130N62.2Low61Low139 Ų139137.5 Ų137.574%0.74371%0.705SS**THydrogen-bonded Turntrans-108.119.2-168.3-148.498.9000113.8A127A127-N130 PolarHBondContact O-N 2.89Å
131Y56.9Low60.5Low233 Ų233140.5 Ų140.591%0.91472%0.721SS**SBendtrans-136.985.3172.4-118.3-95.2000108.5
132G51.4Low59.9Low68 Ų68139.6 Ų139.670%0.70174%0.737SS**  trans-174.437.7-169.100000114N134G132-N134 VanDerWaalsContact C-N 3.35Å; G132-N134 PolarHBondContact O-N 2.96Å
133H60.9Low59.2Low141 Ų141138.1 Ų138.165%0.65374%0.743SS**  trans-8483.6170.8-164.7-12000108.7Y135H133-Y135 AromaticContact CE1-CD1 3.68Å; H133-Y135 AromaticContact CE1-CE1 3.48Å; H133-Y135 VanDerWaalsContact CE1-CE1 3.48Å; H133-Y135 WeakPolarHBondContact CE1-CE1 3.46Å; H133-Y135 AromaticContact NE2-CE1 3.64Å
134N54.4Low58.4Low127 Ų127140.5 Ų140.568%0.67975%0.751SS**  trans-62143.9153.2-77.17.9000107.8G132G132-N134 VanDerWaalsContact C-N 3.35Å; G132-N134 PolarHBondContact O-N 2.96Å
135Y57.1Low57.3Low198 Ų198141.9 Ų141.978%0.77676%0.764SS**  trans-93.9104.7155.9-59.7-83000104.8H133H133-Y135 AromaticContact CE1-CD1 3.68Å; H133-Y135 AromaticContact CE1-CE1 3.48Å; H133-Y135 VanDerWaalsContact CE1-CE1 3.48Å; H133-Y135 WeakPolarHBondContact CE1-CE1 3.46Å; H133-Y135 AromaticContact NE2-CE1 3.64Å
136D56.8Low56.4Low146 Ų146142.3 Ų142.378%0.78177%0.774SS**  trans-83.4149.4167-98.1-33000108.5
137D51.3Low55.6Low150 Ų150148.4 Ų148.480%0.80279%0.792SS**  trans-69.9141.7171.5-67.7-60.6000110.9
138D58.8Low54.9Low171 Ų171152.1 Ų152.191%0.91480%0.802SS**  trans-140.8104.5156.8-100.6-40.9000106.7
139D55.9Low54.2Low157 Ų157156.5 Ų156.584%0.8481%0.809SS**  trans-69.2137.7171.9-63.3-82.8000110.6
140E57.7Low53.7Low193 Ų193158.2 Ų158.290%0.90281%0.806SS**  trans-149.2126.6149.9-130.7174.6-153.800113.7
141D55.8Low53Low166 Ų166159 Ų15989%0.88881%0.805SS**  trans-44157.1-174.5-66.1-71.1000120.8
142G53.7Low52.6Low74 Ų74157.3 Ų157.376%0.76381%0.805SS**  trans100.3130.5149.900000115.5
143D49.8Very low52.2Low165 Ų165158.4 Ų158.488%0.88281%0.808SS**  cis-149.1164.925.6-132.9-24.9000112.1
144Q49.3Very low51.6Low170 Ų170156.8 Ų156.879%0.79482%0.818SS**  trans-90.4142.2-174.7-70.515229.100113.5
145Q48Very low51.4Low188 Ų188158.3 Ų158.388%0.87983%0.826SS**  trans-151.7100155.1-125.6133.2112.500109.4
146E48.7Very low51.2Low190 Ų190155.7 Ų155.789%0.88883%0.826SS**  trans-81.5126.2166.7-61.2-179.9155.400108.5
147E50.7Low50.7Low190 Ų190154.9 Ų154.989%0.88883%0.827SS**  trans-133.6131154.8-70.2-163.7150.100108.4
148D47.7Very low50.8Low153 Ų153156.9 Ų156.982%0.81883%0.831SS**  trans-68.6145177.4-62.6-83.4000111.6
149E50Low50.5Low170 Ų170157.1 Ų157.179%0.79483%0.827SS**  -174108123-99.8175.115900109.8
150Q51.5Low50.2Low134 Ų134152.2 Ų152.263%0.62681%0.814SS**  63.6108.693.3-68.2-170.782.300115.4
151Q47.1Very low50.1Low156 Ų156152.4 Ų152.473%0.72981%0.814SS**  trans53.3108.3138.6-55.8172.383.400117.9
152H47.9Very low50Low197 Ų197153.3 Ų153.391%0.91281%0.813SS**  -160.4152.3115.3-108.3-77.9000110.5
153A43.4Very low50.3Low91 Ų91154.8 Ų154.875%0.75280%0.804SS**  trans-120.5156.6175.300000109.7
154A48.7Very low50.9Low106 Ų106153.3 Ų153.388%0.87679%0.791SS**  trans73.6112-165.600000114.4
155D49.4Very low52Low159 Ų159151.2 Ų151.285%0.8579%0.785SS**  trans-137.4160.9133.8-156.8-1.4000107.5
156D52.5Low53.3Low144 Ų144144.9 Ų144.977%0.7777%0.765SS**  trans-82.5153.1-158.8-85.1-52.3000115.6E158D156-E158 PolarHBondContact O-N 2.81Å
157T47.1Very low54.6Low129 Ų129142.6 Ų142.679%0.79175%0.754SS**  trans-85.286.9177.3-52.70000110.9E159T157-E159 HydrophobicContact CG2-CB 4.3Å; T157-E159 HydrophobicContact CG2-CG 4.47Å
158E53.6Low55.9Low191 Ų191138.8 Ų138.889%0.89374%0.737SS**  trans-102.950.1167.6-60-125.4146.800110.9D156D156-E158 PolarHBondContact O-N 2.81Å
159E51.9Low57.4Low176 Ų176137 Ų13782%0.82273%0.726SS**  trans-89.697.9169.6-71.7-79.9176.500108.8T157T157-E159 HydrophobicContact CG2-CB 4.3Å; T157-E159 HydrophobicContact CG2-CG 4.47Å
160G49.4Very low58.7Low55 Ų55134.8 Ų134.857%0.56772%0.716SS**  trans14195.9168.700000115.7
161E56Low60.1Low196 Ų196131.1 Ų131.192%0.91671%0.709SS**SBendtrans-164.7-8.3147.9-116.1174.4-150.700113.7
162E53.7Low61.7Low186 Ų186127.4 Ų127.487%0.86969%0.693SS**SBendtrans-97.2-11179.4-64.5-163.3156.800115.5
163D59.4Low63.4Low105 Ų105121.6 Ų121.656%0.56167%0.672SS**SBendtrans-79.4-19.3-172.6-58.8-69.6000115.7D165 A166 E167D163-D165 PolarHBondContact O-N 3.18Å; D163-A166 WeakPolarHBondContact O-CA 3.49Å; D163-A166 WeakPolarHBondContact O-CB 3.34Å; D163-A166 PolarHBondContact O-N 3.2Å; D163-E167 PolarHBondContact O-N 2.95Å
164H63.3Low65.3Low134 Ų134120.9 Ų120.962%0.6266%0.655SS**Hα-helixtrans-64.1-36.9-170.1-168.9-37000113.1A166 E168H164-A166 VanDerWaalsContact C-N 3.26Å; H164-A166 PolarHBondContact O-N 3.41Å; H164-E168 PolarHBondContact O-N 3.43Å; H164-E168 VanDerWaalsContact O-N 3.14Å
165D72.2Confident66.9Low125 Ų125122 Ų12267%0.66864%0.643SS**Hα-helixtrans-68.4-27.5174.1-78.5-19.9000111.5D163 L169D163-D165 PolarHBondContact O-N 3.18Å; D165-L169 WeakPolarHBondContact O-CB 3.24Å; D165-L169 WeakPolarHBondContact O-CD1 3.37Å; D165-L169 WeakPolarHBondContact O-CG 3.34Å; D165-L169 PolarHBondContact O-N 2.69Å
166A75.5Confident68.6Low55 Ų55119.7 Ų119.746%0.45563%0.629SS.*Hα-helixtrans-79.2-42.6178.100000111.7D163 H164 L169 E170D163-A166 WeakPolarHBondContact O-CA 3.49Å; D163-A166 WeakPolarHBondContact O-CB 3.34Å; D163-A166 PolarHBondContact O-N 3.2Å; H164-A166 VanDerWaalsContact C-N 3.26Å; H164-A166 PolarHBondContact O-N 3.41Å; A166-L169 PolarHBondContact O-N 3.23Å; A166-E170 WeakPolarHBondContact O-CB 3.39Å; A166-E170 PolarHBondContact O-N 3.44Å
167E76.5Confident70.2Confident142 Ų142118 Ų11866%0.66462%0.62SS**Hα-helixtrans-63.8-39.8176-170.8175.7-161.400111.6D163 E170 A171D163-E167 PolarHBondContact O-N 2.95Å; E167-E170 PolarHBondContact O-N 3.22Å; E167-A171 VanDerWaalsContact O-CB 3.31Å; E167-A171 WeakPolarHBondContact O-CB 3.31Å; E167-A171 PolarHBondContact O-N 2.9Å
168E77.8Confident72.1Confident110 Ų110118 Ų11851%0.51461%0.611SS.*Hα-helixtrans-65-41.1174.1-173174.5151.400111.9H164 L172H164-E168 PolarHBondContact O-N 3.43Å; H164-E168 VanDerWaalsContact O-N 3.14Å; E168-L172 HydrophobicContact CG-CD1 4.26Å; E168-L172 WeakPolarHBondContact O-CB 3.4Å; E168-L172 VanDerWaalsContact O-CG 3.3Å; E168-L172 WeakPolarHBondContact O-CG 3.38Å; E168-L172 PolarHBondContact O-N 2.92Å
169L78.2Confident73.6Confident115 Ų115112.6 Ų112.660%0.60259%0.586SS**Hα-helixtrans-67.9-39.6176-74.9172.5000112.6D165 A166 L172 T173D165-L169 WeakPolarHBondContact O-CB 3.24Å; D165-L169 WeakPolarHBondContact O-CD1 3.37Å; D165-L169 WeakPolarHBondContact O-CG 3.34Å; D165-L169 PolarHBondContact O-N 2.69Å; A166-L169 PolarHBondContact O-N 3.23Å; L169-L172 PolarHBondContact O-N 3.01Å; L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 3.44Å
170E78.7Confident75.5Confident125 Ų125107.4 Ų107.458%0.58457%0.569SS**Hα-helixtrans-64.5-45176-175170.2172.900110.9A166 E167 L172 T173 N174A166-E170 WeakPolarHBondContact O-CB 3.39Å; A166-E170 PolarHBondContact O-N 3.44Å; E167-E170 PolarHBondContact O-N 3.22Å; E170-L172 PolarHBondContact O-N 3.02Å; E170-T173 WeakPolarHBondContact CA-OG1 3.3Å; E170-T173 PolarHBondContact O-N 3.34Å; E170-T173 PolarHBondContact O-OG1 3.31Å; E170-N174 WeakPolarHBondContact O-CB 3.18Å; E170-N174 VanDerWaalsContact O-CG 3.25Å; E170-N174 PolarHBondContact O-N 3.43Å; E170-N174 PolarHBondContact O-ND2 3.24Å
171A80.2Confident77.5Confident56 Ų56111.9 Ų111.946%0.46358%0.575SS.*Hα-helixtrans-57.8-44.7174.400000112.3E167 N174 E175E167-A171 VanDerWaalsContact O-CB 3.31Å; E167-A171 WeakPolarHBondContact O-CB 3.31Å; E167-A171 PolarHBondContact O-N 2.9Å; A171-N174 PolarHBondContact O-N 2.81Å; A171-E175 PolarHBondContact O-N 3.43Å
172L80.3Confident79.3Confident78 Ų78104.4 Ų104.441%0.40854%0.541SS..Hα-helixtrans-66.9-35.1176.5-72.5170.1000112.9E168 L169 E170 I176E168-L172 HydrophobicContact CG-CD1 4.26Å; E168-L172 WeakPolarHBondContact O-CB 3.4Å; E168-L172 VanDerWaalsContact O-CG 3.3Å; E168-L172 WeakPolarHBondContact O-CG 3.38Å; E168-L172 PolarHBondContact O-N 2.92Å; L169-L172 PolarHBondContact O-N 3.01Å; E170-L172 PolarHBondContact O-N 3.02Å; L172-I176 WeakPolarHBondContact O-CD1 3.48Å; L172-I176 VanDerWaalsContact O-CG1 3.29Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.08Å
173T83.1Confident81.2Confident76 Ų7697.4 Ų97.447%0.46651%0.511SS..Hα-helixtrans-68.3-38.4172.146.70000112.3L169 E170 I176 D177L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 3.44Å; E170-T173 WeakPolarHBondContact CA-OG1 3.3Å; E170-T173 PolarHBondContact O-N 3.34Å; E170-T173 PolarHBondContact O-OG1 3.31Å; T173-I176 PolarHBondContact O-N 3.19Å; T173-D177 PolarHBondContact O-N 3.4Å
174N84.5Confident82.8Confident75 Ų7594 Ų9440%0.40150%0.501SS..Hα-helixtrans-64.2-41.7176.4-70.3-31.3000111.4E170 A171 I176 D177 E178E170-N174 WeakPolarHBondContact O-CB 3.18Å; E170-N174 VanDerWaalsContact O-CG 3.25Å; E170-N174 PolarHBondContact O-N 3.43Å; E170-N174 PolarHBondContact O-ND2 3.24Å; A171-N174 PolarHBondContact O-N 2.81Å; N174-I176 VanDerWaalsContact C-N 3.33Å; N174-I176 PolarHBondContact O-N 2.86Å; N174-D177 PolarHBondContact O-N 3.21Å; N174-E178 WeakPolarHBondContact O-CB 3.35Å; N174-E178 WeakPolarHBondContact O-CG 3.3Å; N174-E178 PolarHBondContact O-N 3.13Å
175E81Confident84.4Confident131 Ų13188.5 Ų88.561%0.61248%0.476SS*.Hα-helixtrans-60.7-40.1174.6-173.9176.4-163.300112.4A171 E178 E179A171-E175 PolarHBondContact O-N 3.43Å; E175-E178 PolarHBondContact O-N 3.09Å; E175-E179 PolarHBondContact O-N 3.26Å
176I85.2Confident85.5Confident109 Ų10982.6 Ų82.656%0.55944%0.444SS*.Hα-helixtrans-68.5-41177.7-69166.3000111.7L172 T173 N174 S180L172-I176 WeakPolarHBondContact O-CD1 3.48Å; L172-I176 VanDerWaalsContact O-CG1 3.29Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.08Å; T173-I176 PolarHBondContact O-N 3.19Å; N174-I176 VanDerWaalsContact C-N 3.33Å; N174-I176 PolarHBondContact O-N 2.86Å; I176-S180 VanDerWaalsContact O-CB 3.25Å; I176-S180 WeakPolarHBondContact O-CB 3.48Å; I176-S180 PolarHBondContact O-N 2.97Å; I176-S180 PolarHBondContact O-OG 2.85Å
177D87.5Confident86.5Confident110 Ų11083.9 Ų83.959%0.58844%0.443SS*.Hα-helixtrans-71.7-32.7176.9-83.6-8.9000111.8T173 N174 S180 Q181T173-D177 PolarHBondContact O-N 3.4Å; N174-D177 PolarHBondContact O-N 3.21Å; D177-S180 PolarHBondContact O-N 2.9Å; D177-Q181 WeakPolarHBondContact O-CB 3.37Å; D177-Q181 PolarHBondContact O-N 2.68Å
178E87Confident87.3Confident127 Ų12784.7 Ų84.759%0.59344%0.44SS*.Hα-helixtrans-65.4-50.3170.8-78.9-172.1-156.900112.4N174 E175 S180 Q181 I182N174-E178 WeakPolarHBondContact O-CB 3.35Å; N174-E178 WeakPolarHBondContact O-CG 3.3Å; N174-E178 PolarHBondContact O-N 3.13Å; E175-E178 PolarHBondContact O-N 3.09Å; E178-S180 VanDerWaalsContact C-N 3.26Å; E178-S180 PolarHBondContact O-N 2.99Å; E178-Q181 PolarHBondContact O-N 2.79Å; E178-I182 VanDerWaalsContact O-CG1 3.3Å; E178-I182 WeakPolarHBondContact O-CG1 3.38Å; E178-I182 PolarHBondContact O-N 2.9Å
179E85.3Confident88.2Confident79 Ų7979.6 Ų79.637%0.36942%0.416SS..Hα-helixtrans-62.2-37.1175.1-174.6168.3-134.500110.7E175 Q181 I182 V183 S217 T220E175-E179 PolarHBondContact O-N 3.26Å; E179-Q181 PolarHBondContact O-N 2.76Å; E179-I182 PolarHBondContact O-N 3.29Å; E179-V183 HydrophobicContact CG-CG2 4.19Å; E179-V183 WeakPolarHBondContact O-CB 3.32Å; E179-V183 VanDerWaalsContact O-CG2 3.3Å; E179-V183 WeakPolarHBondContact O-CG2 3.29Å; E179-V183 PolarHBondContact O-N 3.38Å; E179-S217 PolarHBondContact OE1-OG 3.45Å; E179-T220 PolarHBondContact OE1-OG1 2.96Å
180S90Very high89Confident67 Ų6776 Ų7647%0.46940%0.396SS..Hα-helixtrans-62.6-40.9175-62.80000112.5I176 D177 E178 G184I176-S180 VanDerWaalsContact O-CB 3.25Å; I176-S180 WeakPolarHBondContact O-CB 3.48Å; I176-S180 PolarHBondContact O-N 2.97Å; I176-S180 PolarHBondContact O-OG 2.85Å; D177-S180 PolarHBondContact O-N 2.9Å; E178-S180 VanDerWaalsContact C-N 3.26Å; E178-S180 PolarHBondContact O-N 2.99Å; S180-G184 PolarHBondContact O-N 3.46Å
181Q91.6Very high89.7Confident149 Ų14975.2 Ų75.270%0.69639%0.392SS*.Hα-helixtrans-64.9-43.4174.5-173-176.682.900111.4D177 E178 E179 G184 E185D177-Q181 WeakPolarHBondContact O-CB 3.37Å; D177-Q181 PolarHBondContact O-N 2.68Å; E178-Q181 PolarHBondContact O-N 2.79Å; E179-Q181 PolarHBondContact O-N 2.76Å; Q181-G184 PolarHBondContact O-N 3.14Å; Q181-E185 WeakPolarHBondContact O-CB 3.25Å; Q181-E185 PolarHBondContact O-N 2.85Å
182I93.5Very high90.3Very high38 Ų3875.6 Ų75.620%0.19539%0.386CS..Hα-helixtrans-63.6-46.8177.2-65.1165.4000110.4E178 E179 G184 E185 V186 M214 L216 T220E178-I182 VanDerWaalsContact O-CG1 3.3Å; E178-I182 WeakPolarHBondContact O-CG1 3.38Å; E178-I182 PolarHBondContact O-N 2.9Å; E179-I182 PolarHBondContact O-N 3.29Å; I182-G184 VanDerWaalsContact C-N 3.35Å; I182-G184 PolarHBondContact O-N 3Å; I182-E185 PolarHBondContact O-N 3.25Å; I182-V186 HydrophobicContact CG2-CG2 4.23Å; I182-V186 WeakPolarHBondContact O-CB 3.36Å; I182-V186 VanDerWaalsContact O-CG2 3.24Å; I182-V186 WeakPolarHBondContact O-CG2 3.25Å; I182-V186 PolarHBondContact O-N 2.97Å; I182-M214 HydrophobicContact CG2-SD 4.48Å; I182-L216 HydrophobicContact CG2-CD2 3.7Å; I182-T220 HydrophobicContact CG2-CG2 4Å
183V93.6Very high90.9Very high39 Ų3971.9 Ų71.924%0.23637%0.366CS..Hα-helixtrans-58.8-46176.1168.50000110.8E179 E185 V186 L187 T220 T224E179-V183 HydrophobicContact CG-CG2 4.19Å; E179-V183 WeakPolarHBondContact O-CB 3.32Å; E179-V183 VanDerWaalsContact O-CG2 3.3Å; E179-V183 WeakPolarHBondContact O-CG2 3.29Å; E179-V183 PolarHBondContact O-N 3.38Å; V183-E185 PolarHBondContact O-N 2.95Å; V183-V186 PolarHBondContact O-N 2.96Å; V183-L187 HydrophobicContact CG1-CD1 4.23Å; V183-L187 WeakPolarHBondContact O-CG 3.47Å; V183-L187 PolarHBondContact O-N 3.01Å; V183-T220 HydrophobicContact CG2-CG2 3.98Å; V183-T224 HydrophobicContact CG1-CG2 4.19Å
184G94.4Very high91.3Very high35 Ų3571.5 Ų71.536%0.36136%0.361SS..Hα-helixtrans-59.8-43.3176.200000112.9S180 Q181 I182 L187 R188S180-G184 PolarHBondContact O-N 3.46Å; Q181-G184 PolarHBondContact O-N 3.14Å; I182-G184 VanDerWaalsContact C-N 3.35Å; I182-G184 PolarHBondContact O-N 3Å; G184-L187 PolarHBondContact O-N 3.23Å; G184-R188 PolarHBondContact O-N 3.13Å; G184-R188 VanDerWaalsContact O-N 3.14Å
185E95.6Very high91.6Very high18 Ų1871.8 Ų71.88%0.08436%0.36CS..Hα-helixtrans-67-44.9177.4-172.758.7-123.700112.8Q181 I182 V183 L187 R188 I189 R210 M214Q181-E185 WeakPolarHBondContact O-CB 3.25Å; Q181-E185 PolarHBondContact O-N 2.85Å; I182-E185 PolarHBondContact O-N 3.25Å; V183-E185 PolarHBondContact O-N 2.95Å; E185-L187 PolarHBondContact O-N 3.05Å; E185-R188 WeakPolarHBondContact O-CB 3.28Å; E185-R188 PolarHBondContact O-N 3.04Å; E185-R188 VanDerWaalsContact O-N 3.08Å; E185-R188 IonicContact OE1-NE 2.72Å; E185-R188 IonicContact OE1-NH2 3.4Å; E185-R188 IonicContact OE2-CZ 3.04Å; E185-R188 IonicContact OE2-NE 3.24Å; E185-R188 IonicContact OE2-NH2 3.72Å; E185-R188 PolarHBondContact OE2-NH2 2.92Å; E185-I189 HydrophobicContact CG-CD1 4.14Å; E185-I189 PolarHBondContact O-N 3.35Å; E185-R210 IonicContact OE1-CZ 3.07Å; E185-R210 IonicContact OE1-NH1 3.82Å; E185-R210 PolarHBondContact OE1-NH1 3.32Å; E185-R210 IonicContact OE1-NH2 3.05Å; E185-R210 IonicContact OE2-CZ 3.13Å; E185-R210 VanDerWaalsContact OE2-CZ 3.24Å; E185-R210 IonicContact OE2-NH1 2.95Å; E185-R210 PolarHBondContact OE2-NH1 3.16Å; E185-R210 VanDerWaalsContact OE2-NH1 3.1Å; E185-R210 IonicContact OE2-NH2 3.43Å; E185-R210 PolarHBondContact OE2-NH2 2.97Å; E185-M214 HydrophobicContact CB-CE 4.44Å; E185-M214 HydrophobicContact CB-SD 3.88Å; E185-M214 HydrophobicContact CG-CE 3.98Å; E185-M214 HydrophobicContact CG-SD 3.61Å
186V96.3Very high91.7Very high0 Ų069.2 Ų69.20%035%0.346CS..Hα-helixtrans-61.6-34.2177.7174.20000111I182 V183 I189 K190 L211 M214 L216 T220 T224 I226I182-V186 HydrophobicContact CG2-CG2 4.23Å; I182-V186 WeakPolarHBondContact O-CB 3.36Å; I182-V186 VanDerWaalsContact O-CG2 3.24Å; I182-V186 WeakPolarHBondContact O-CG2 3.25Å; I182-V186 PolarHBondContact O-N 2.97Å; V183-V186 PolarHBondContact O-N 2.96Å; V186-I189 PolarHBondContact O-N 2.97Å; V186-K190 VanDerWaalsContact O-CB 3.32Å; V186-K190 WeakPolarHBondContact O-CB 3.46Å; V186-K190 PolarHBondContact O-N 3.48Å; V186-L211 HydrophobicContact CG1-CD1 4.27Å; V186-L211 HydrophobicContact CG2-CD1 4.02Å; V186-M214 HydrophobicContact CG2-CE 3.54Å; V186-M214 HydrophobicContact CG2-SD 4.4Å; V186-L216 HydrophobicContact CG2-CD1 4.45Å; V186-L216 HydrophobicContact CG2-CD2 3.54Å; V186-T220 HydrophobicContact CG2-CG2 4.16Å; V186-T224 HydrophobicContact CB-CG2 3.99Å; V186-T224 HydrophobicContact CG1-CG2 3.66Å; V186-T224 WeakPolarHBondContact CG1-OG1 3.24Å; V186-I226 HydrophobicContact CG1-CB 3.66Å; V186-I226 HydrophobicContact CG1-CD1 4.22Å; V186-I226 HydrophobicContact CG1-CG1 3.87Å; V186-I226 HydrophobicContact CG1-CG2 3.93Å
187L95.3Very high91.7Very high83 Ų8372.1 Ų72.144%0.43536%0.358SS..Hα-helixtrans-68.3-39172.7-70.9173.5000112.8V183 G184 E185 K190 E191 T224V183-L187 HydrophobicContact CG1-CD1 4.23Å; V183-L187 WeakPolarHBondContact O-CG 3.47Å; V183-L187 PolarHBondContact O-N 3.01Å; G184-L187 PolarHBondContact O-N 3.23Å; E185-L187 PolarHBondContact O-N 3.05Å; L187-K190 HydrophobicContact CD2-CD 4.24Å; L187-K190 WeakPolarHBondContact O-CB 3.45Å; L187-K190 PolarHBondContact O-N 2.84Å; L187-E191 PolarHBondContact O-N 2.72Å; L187-T224 HydrophobicContact CD2-CG2 4.21Å; L187-T224 HydrophobicContact CG-CG2 4.18Å
188R94.9Very high91.7Very high158 Ų15872.7 Ų72.760%0.59636%0.361SS*.Hα-helixtrans-61.8-45.2172.2-66.5-160.2-64.1-178.2-9.3111.7G184 E185 E191 L192G184-R188 PolarHBondContact O-N 3.13Å; G184-R188 VanDerWaalsContact O-N 3.14Å; E185-R188 WeakPolarHBondContact O-CB 3.28Å; E185-R188 PolarHBondContact O-N 3.04Å; E185-R188 VanDerWaalsContact O-N 3.08Å; E185-R188 IonicContact OE1-NE 2.72Å; E185-R188 IonicContact OE1-NH2 3.4Å; E185-R188 IonicContact OE2-CZ 3.04Å; E185-R188 IonicContact OE2-NE 3.24Å; E185-R188 IonicContact OE2-NH2 3.72Å; E185-R188 PolarHBondContact OE2-NH2 2.92Å; R188-E191 PolarHBondContact O-N 3.28Å; R188-L192 PolarHBondContact O-N 3.18Å
189I95.7Very high91.8Very high3 Ų369.6 Ų69.62%0.01535%0.346CS..Hα-helixtrans-63.4-42.7175.9-70.7169.2000110.8E185 V186 E191 L192 L193 R210 L211 M214 I226E185-I189 HydrophobicContact CG-CD1 4.14Å; E185-I189 PolarHBondContact O-N 3.35Å; V186-I189 PolarHBondContact O-N 2.97Å; I189-E191 VanDerWaalsContact C-N 3.25Å; I189-E191 PolarHBondContact O-N 2.98Å; I189-L192 PolarHBondContact O-N 3.1Å; I189-L192 VanDerWaalsContact O-N 3.17Å; I189-L193 HydrophobicContact CG2-CD1 4Å; I189-L193 HydrophobicContact CG2-CG 4.06Å; I189-L193 WeakPolarHBondContact O-CG 3.31Å; I189-L193 PolarHBondContact O-N 2.85Å; I189-R210 HydrophobicContact CD1-CB 4.26Å; I189-R210 HydrophobicContact CD1-CG 4.3Å; I189-L211 HydrophobicContact CD1-CB 4.34Å; I189-L211 HydrophobicContact CG2-CB 4.32Å; I189-L211 HydrophobicContact CG2-CD1 4.45Å; I189-L211 HydrophobicContact CG2-CD2 4.1Å; I189-M214 HydrophobicContact CD1-CE 3.63Å; I189-I226 HydrophobicContact CG2-CD1 4.44Å
190K95.3Very high92.1Very high41 Ų4168.9 Ų68.918%0.17835%0.35CS..Hα-helixtrans-52.6-44.9176.8-172.6-174.4-177.4178.60111.5V186 L187 L193 L194 T224 I226 A229V186-K190 VanDerWaalsContact O-CB 3.32Å; V186-K190 WeakPolarHBondContact O-CB 3.46Å; V186-K190 PolarHBondContact O-N 3.48Å; L187-K190 HydrophobicContact CD2-CD 4.24Å; L187-K190 WeakPolarHBondContact O-CB 3.45Å; L187-K190 PolarHBondContact O-N 2.84Å; K190-L193 PolarHBondContact O-N 3.02Å; K190-L194 HydrophobicContact CG-CD1 4.21Å; K190-L194 WeakPolarHBondContact O-CG 3.47Å; K190-L194 PolarHBondContact O-N 3.33Å; K190-T224 VanDerWaalsContact CD-O 3.28Å; K190-T224 WeakPolarHBondContact CD-O 3.38Å; K190-T224 VanDerWaalsContact CE-O 3.24Å; K190-T224 WeakPolarHBondContact CE-O 3.46Å; K190-T224 PolarHBondContact NZ-O 2.96Å; K190-I226 HydrophobicContact CB-CD1 3.7Å; K190-I226 HydrophobicContact CG-CD1 4.14Å; K190-A229 HydrophobicContact CG-CB 4.07Å
191E94.2Very high92.2Very high107 Ų10768.8 Ų68.850%0.534%0.344SS..Hα-helixtrans-64.6-41.8-178.5-164.168.1173.800112.2L187 R188 I189 L194 H195L187-E191 PolarHBondContact O-N 2.72Å; R188-E191 PolarHBondContact O-N 3.28Å; I189-E191 VanDerWaalsContact C-N 3.25Å; I189-E191 PolarHBondContact O-N 2.98Å; E191-L194 PolarHBondContact O-N 3.42Å; E191-H195 PolarHBondContact O-N 3.24Å; E191-H195 PolarHBondContact O-ND1 3.16Å; E191-H195 IonicContact OE1-CE1 3.64Å; E191-H195 PolarHBondContact OE1-CE1 3.32Å; E191-H195 VanDerWaalsContact OE1-CE1 3.24Å; E191-H195 IonicContact OE1-ND1 3.45Å
192L92.4Very high92.3Very high64 Ų6464.5 Ų64.534%0.33533%0.334SS..Hα-helixtrans-63.3-39.8173.1-59.5172.6000111.8R188 I189 L194 H195 K196 H199R188-L192 PolarHBondContact O-N 3.18Å; I189-L192 PolarHBondContact O-N 3.1Å; I189-L192 VanDerWaalsContact O-N 3.17Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.21Å; L192-H195 CarbonylContact O-C 3.57Å; L192-H195 PolarHBondContact O-N 3.17Å; L192-K196 PolarHBondContact O-N 3.17Å; L192-H199 VanDerWaalsContact CD2-NE2 3.31Å; L192-H199 WeakPolarHBondContact CD2-NE2 3.48Å; L192-H199 PolarHBondContact O-CD2 3.47Å; L192-H199 VanDerWaalsContact O-CD2 3.31Å
193L93.3Very high92.4Very high0 Ų065.7 Ų65.70%034%0.343CS..Hα-helixtrans-76.5-18.9179.5-57-169.3000113.2I189 K190 L204 L208 L211 I226 A229 V230 L233I189-L193 HydrophobicContact CG2-CD1 4Å; I189-L193 HydrophobicContact CG2-CG 4.06Å; I189-L193 WeakPolarHBondContact O-CG 3.31Å; I189-L193 PolarHBondContact O-N 2.85Å; K190-L193 PolarHBondContact O-N 3.02Å; L193-L204 HydrophobicContact CD2-CD2 3.76Å; L193-L208 HydrophobicContact CD1-CD2 3.69Å; L193-L208 HydrophobicContact CD1-CG 4.28Å; L193-L208 HydrophobicContact CD2-CD2 4.47Å; L193-L208 HydrophobicContact CD2-CG 4.2Å; L193-L211 HydrophobicContact CD1-CD2 4.26Å; L193-I226 HydrophobicContact CD1-CD1 4.43Å; L193-A229 HydrophobicContact CB-CB 3.97Å; L193-V230 HydrophobicContact CD1-CG2 3.57Å; L193-L233 HydrophobicContact CB-CD1 4.18Å; L193-L233 HydrophobicContact CD1-CD1 4.23Å; L193-L233 HydrophobicContact CD2-CD1 3.81Å; L193-L233 HydrophobicContact CG-CD1 4.26Å
194L90.8Very high92.5Very high68 Ų6863.9 Ų63.936%0.35633%0.332SS..Hα-helixtrans-75.7-48.7168.4-71.4171.3000110.7K190 E191 L192 K196 A229K190-L194 HydrophobicContact CG-CD1 4.21Å; K190-L194 WeakPolarHBondContact O-CG 3.47Å; K190-L194 PolarHBondContact O-N 3.33Å; E191-L194 PolarHBondContact O-N 3.42Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.21Å; L194-K196 PolarHBondContact O-N 3.19Å; L194-A229 HydrophobicContact CD2-CB 4.17Å; L194-A229 HydrophobicContact CG-CB 4.21Å
195H89.6Confident92.5Very high81 Ų8165.5 Ų65.538%0.37533%0.33SS..SBendtrans-81.336.9178.3-63.894.1000113.4E191 L192 E197 D198 H199E191-H195 PolarHBondContact O-N 3.24Å; E191-H195 PolarHBondContact O-ND1 3.16Å; E191-H195 IonicContact OE1-CE1 3.64Å; E191-H195 PolarHBondContact OE1-CE1 3.32Å; E191-H195 VanDerWaalsContact OE1-CE1 3.24Å; E191-H195 IonicContact OE1-ND1 3.45Å; L192-H195 CarbonylContact O-C 3.57Å; L192-H195 PolarHBondContact O-N 3.17Å; H195-E197 PolarHBondContact O-N 3.15Å; H195-D198 IonicContact CD2-OD2 3.37Å; H195-D198 PolarHBondContact O-N 2.94Å; H195-H199 PolarHBondContact O-CD2 2.92Å
196K84.7Confident92.5Very high77 Ų7769.4 Ų69.434%0.33535%0.351SS..THydrogen-bonded Turntrans-57.6-10.5-175.678-165.7-170.7-44.10116.2L192 L194 L204 L233L192-K196 PolarHBondContact O-N 3.17Å; L194-K196 PolarHBondContact O-N 3.19Å; K196-L204 HydrophobicContact CB-CD1 4.06Å; K196-L204 HydrophobicContact CB-CD2 4.2Å; K196-L233 HydrophobicContact CB-CD2 4.01Å; K196-L233 HydrophobicContact CD-CD2 4.03Å
197E85Confident92.5Very high170 Ų17070 Ų7079%0.79436%0.356SS*.THydrogen-bonded Turntrans-95.4-24.2-179-164.6159.1166.400111.4H195 H199H195-E197 PolarHBondContact O-N 3.15Å; E197-H199 VanDerWaalsContact C-N 3.27Å
198D87.7Confident92.5Very high122 Ų12266.1 Ų66.165%0.65234%0.335SS*.SBendtrans-85.90.1174.8-51.6-71.6000112.4H195H195-D198 IonicContact CD2-OD2 3.37Å; H195-D198 PolarHBondContact O-N 2.94Å
199H88.5Confident92.6Very high63 Ų6364 Ų6429%0.29233%0.327SS..SBendtrans-130.9142.9-172.3-61.1-34.4000112.2L192 H195 E197 L204L192-H199 VanDerWaalsContact CD2-NE2 3.31Å; L192-H199 WeakPolarHBondContact CD2-NE2 3.48Å; L192-H199 PolarHBondContact O-CD2 3.47Å; L192-H199 VanDerWaalsContact O-CD2 3.31Å; H195-H199 PolarHBondContact O-CD2 2.92Å; E197-H199 VanDerWaalsContact C-N 3.27Å; H199-L204 HydrophobicContact CB-CD2 4.27Å; H199-L204 HydrophobicContact CB-CG 4.31Å
200S91.8Very high92.6Very high63 Ų6369.7 Ų69.744%0.44135%0.348SS..  trans-72.7155.5178.572.30000112.9A202 T203 L204S200-A202 PolarHBondContact O-N 3.14Å; S200-A202 VanDerWaalsContact O-N 3.16Å; S200-T203 WeakPolarHBondContact CA-OG1 3.18Å; S200-T203 PolarHBondContact N-OG1 3.46Å; S200-T203 PolarHBondContact O-N 3.36Å; S200-T203 VanDerWaalsContact O-N 3.1Å; S200-T203 PolarHBondContact O-OG1 2.9Å; S200-T203 PolarHBondContact OG-N 3.47Å; S200-T203 PolarHBondContact OG-OG1 3.37Å; S200-L204 WeakPolarHBondContact O-CG 3.37Å; S200-L204 PolarHBondContact O-N 3Å
201D92.8Very high92.6Very high66 Ų6667.8 Ų67.835%0.35334%0.34SS..Hα-helixtrans-48.1-39.6169.4-73.760000112.8L204 F205 H236 N237 S238 I241D201-L204 PolarHBondContact O-N 2.75Å; D201-F205 VanDerWaalsContact O-CB 3.27Å; D201-F205 WeakPolarHBondContact O-CB 3.44Å; D201-F205 PolarHBondContact O-N 3.31Å; D201-H236 IonicContact OD1-CE1 3.64Å; D201-H236 IonicContact OD2-CE1 3.52Å; D201-H236 PolarHBondContact OD2-CE1 2.96Å; D201-H236 IonicContact OD2-ND1 3.42Å; D201-N237 PolarHBondContact OD2-OD1 3.35Å; D201-S238 WeakPolarHBondContact OD2-CB 3.4Å; D201-I241 HydrophobicContact CB-CD1 4.03Å; D201-I241 WeakPolarHBondContact O-CD1 3.45Å
202A93.9Very high92.6Very high59 Ų5966.3 Ų66.349%0.48833%0.333SS..Hα-helixtrans-63.5-52.6177.800000111.4S200 L204 F205 D206S200-A202 PolarHBondContact O-N 3.14Å; S200-A202 VanDerWaalsContact O-N 3.16Å; A202-L204 VanDerWaalsContact C-N 3.28Å; A202-L204 PolarHBondContact O-N 2.88Å; A202-F205 PolarHBondContact O-N 3.23Å; A202-F205 VanDerWaalsContact O-N 3.12Å; A202-D206 PolarHBondContact O-N 3.44Å
203T94.6Very high92.7Very high63 Ų6369 Ų6939%0.38735%0.347SS..Hα-helixtrans-61-33.2177.337.80000113.4S200 S207S200-T203 WeakPolarHBondContact CA-OG1 3.18Å; S200-T203 PolarHBondContact N-OG1 3.46Å; S200-T203 PolarHBondContact O-N 3.36Å; S200-T203 VanDerWaalsContact O-N 3.1Å; S200-T203 PolarHBondContact O-OG1 2.9Å; S200-T203 PolarHBondContact OG-N 3.47Å; S200-T203 PolarHBondContact OG-OG1 3.37Å; T203-S207 VanDerWaalsContact O-CB 3.29Å; T203-S207 WeakPolarHBondContact O-CB 3.43Å; T203-S207 PolarHBondContact O-N 3.18Å; T203-S207 VanDerWaalsContact O-N 3.11Å; T203-S207 PolarHBondContact O-OG 2.94Å
204L95.1Very high92.7Very high0 Ų070.8 Ų70.80%036%0.356CS..Hα-helixtrans-71.1-42.7173.5-68.6175000111.8L193 K196 H199 S200 D201 A202 S207 L208 L233 I241L193-L204 HydrophobicContact CD2-CD2 3.76Å; K196-L204 HydrophobicContact CB-CD1 4.06Å; K196-L204 HydrophobicContact CB-CD2 4.2Å; H199-L204 HydrophobicContact CB-CD2 4.27Å; H199-L204 HydrophobicContact CB-CG 4.31Å; S200-L204 WeakPolarHBondContact O-CG 3.37Å; S200-L204 PolarHBondContact O-N 3Å; D201-L204 PolarHBondContact O-N 2.75Å; A202-L204 VanDerWaalsContact C-N 3.28Å; A202-L204 PolarHBondContact O-N 2.88Å; L204-S207 PolarHBondContact O-N 2.83Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 WeakPolarHBondContact O-CD1 3.25Å; L204-L208 VanDerWaalsContact O-CG 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.42Å; L204-L208 PolarHBondContact O-N 2.95Å; L204-L233 HydrophobicContact CD1-CD2 4.49Å; L204-I241 HydrophobicContact CB-CD1 3.95Å
205F95.7Very high92.4Very high70 Ų7076.1 Ų76.131%0.30738%0.379SS..Hα-helixtrans-63.6-45.4176.4-178.3-95000112D201 A202 S207 L208 R209 E240 I241 L244D201-F205 VanDerWaalsContact O-CB 3.27Å; D201-F205 WeakPolarHBondContact O-CB 3.44Å; D201-F205 PolarHBondContact O-N 3.31Å; A202-F205 PolarHBondContact O-N 3.23Å; A202-F205 VanDerWaalsContact O-N 3.12Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-S207 PolarHBondContact O-N 2.94Å; F205-L208 PolarHBondContact O-N 2.93Å; F205-R209 VanDerWaalsContact O-CB 3.27Å; F205-R209 WeakPolarHBondContact O-CB 3.29Å; F205-R209 PolarHBondContact O-N 2.94Å; F205-E240 HydrophobicContact CD2-CB 4.1Å; F205-E240 HydrophobicContact CE2-CB 3.9Å; F205-I241 HydrophobicContact CB-CG1 4.08Å; F205-I241 HydrophobicContact CD2-CG1 4.38Å; F205-L244 HydrophobicContact CD2-CD2 3.9Å; F205-L244 HydrophobicContact CE2-CD2 3.73Å; F205-L244 HydrophobicContact CZ-CD2 4.31Å
206D95.7Very high92.5Very high99 Ų9972.8 Ų72.853%0.52936%0.364SS..Hα-helixtrans-63.6-40.4177.5-69.3-29.3000111.6A202 R209 R210A202-D206 PolarHBondContact O-N 3.44Å; D206-R209 PolarHBondContact O-N 3.02Å; D206-R210 WeakPolarHBondContact O-CB 3.43Å; D206-R210 PolarHBondContact O-N 3.41Å
207S95.9Very high92.9Very high14 Ų1471 Ų7110%0.09836%0.361CS..Hα-helixtrans-63-45.1174.8-60.90000111.9T203 L204 F205 R209 R210 L211T203-S207 VanDerWaalsContact O-CB 3.29Å; T203-S207 WeakPolarHBondContact O-CB 3.43Å; T203-S207 PolarHBondContact O-N 3.18Å; T203-S207 VanDerWaalsContact O-N 3.11Å; T203-S207 PolarHBondContact O-OG 2.94Å; L204-S207 PolarHBondContact O-N 2.83Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-S207 PolarHBondContact O-N 2.94Å; S207-R209 VanDerWaalsContact C-N 3.34Å; S207-R210 PolarHBondContact O-N 3.47Å; S207-L211 WeakPolarHBondContact O-CB 3.1Å; S207-L211 PolarHBondContact O-N 3.18Å
208L96Very high93.2Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-65.5-35.4174.1-73164.8000112.5L193 L204 F205 L211 Q212 V230 L233 I241 L244 V245 L248L193-L208 HydrophobicContact CD1-CD2 3.69Å; L193-L208 HydrophobicContact CD1-CG 4.28Å; L193-L208 HydrophobicContact CD2-CD2 4.47Å; L193-L208 HydrophobicContact CD2-CG 4.2Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 WeakPolarHBondContact O-CD1 3.25Å; L204-L208 VanDerWaalsContact O-CG 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.42Å; L204-L208 PolarHBondContact O-N 2.95Å; F205-L208 PolarHBondContact O-N 2.93Å; L208-L211 WeakPolarHBondContact O-CB 3.49Å; L208-L211 PolarHBondContact O-N 2.92Å; L208-Q212 PolarHBondContact O-N 2.82Å; L208-V230 HydrophobicContact CD2-CG1 4.39Å; L208-V230 HydrophobicContact CD2-CG2 3.98Å; L208-L233 HydrophobicContact CD1-CD1 4.07Å; L208-L233 HydrophobicContact CD2-CD1 4.36Å; L208-L233 HydrophobicContact CG-CD1 4.48Å; L208-I241 HydrophobicContact CD1-CB 4.45Å; L208-I241 HydrophobicContact CD1-CG1 4.45Å; L208-I241 HydrophobicContact CD1-CG2 3.82Å; L208-L244 HydrophobicContact CB-CD2 3.57Å; L208-L244 HydrophobicContact CB-CG 4.02Å; L208-V245 HydrophobicContact CD1-CG2 3.76Å; L208-V245 HydrophobicContact CD2-CG2 3.95Å; L208-L248 HydrophobicContact CB-CD1 4.29Å; L208-L248 HydrophobicContact CD2-CD1 3.71Å
209R95.5Very high93.5Very high114 Ų11461.3 Ų61.343%0.4332%0.321SS..Hα-helixtrans-71.4-38.8179179.856.3176.2178.60.7111F205 D206 S207 L211 Q212 L213 L244F205-R209 VanDerWaalsContact O-CB 3.27Å; F205-R209 WeakPolarHBondContact O-CB 3.29Å; F205-R209 PolarHBondContact O-N 2.94Å; D206-R209 PolarHBondContact O-N 3.02Å; S207-R209 VanDerWaalsContact C-N 3.34Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-Q212 WeakPolarHBondContact O-CB 3.44Å; R209-Q212 PolarHBondContact O-N 3.14Å; R209-L213 HydrophobicContact CG-CD1 4.46Å; R209-L213 WeakPolarHBondContact O-CG 3.21Å; R209-L213 PolarHBondContact O-N 2.96Å; R209-L244 HydrophobicContact CB-CD2 4.23Å
210R95.4Very high93.7Very high123 Ų12358.3 Ų58.346%0.46431%0.307SS..Hα-helixtrans-64.1-40.6171.2-166.4166.3-178.2-133.5-15.2111.4E185 I189 D206 S207 Q212 L213 M214E185-R210 IonicContact OE1-CZ 3.07Å; E185-R210 IonicContact OE1-NH1 3.82Å; E185-R210 PolarHBondContact OE1-NH1 3.32Å; E185-R210 IonicContact OE1-NH2 3.05Å; E185-R210 IonicContact OE2-CZ 3.13Å; E185-R210 VanDerWaalsContact OE2-CZ 3.24Å; E185-R210 IonicContact OE2-NH1 2.95Å; E185-R210 PolarHBondContact OE2-NH1 3.16Å; E185-R210 VanDerWaalsContact OE2-NH1 3.1Å; E185-R210 IonicContact OE2-NH2 3.43Å; E185-R210 PolarHBondContact OE2-NH2 2.97Å; I189-R210 HydrophobicContact CD1-CB 4.26Å; I189-R210 HydrophobicContact CD1-CG 4.3Å; D206-R210 WeakPolarHBondContact O-CB 3.43Å; D206-R210 PolarHBondContact O-N 3.41Å; S207-R210 PolarHBondContact O-N 3.47Å; R210-Q212 VanDerWaalsContact C-N 3.27Å; R210-Q212 PolarHBondContact O-N 2.88Å; R210-L213 PolarHBondContact O-N 2.96Å; R210-L213 VanDerWaalsContact O-N 3.1Å; R210-M214 PolarHBondContact O-N 2.98Å
211L95.8Very high93.8Very high1 Ų156.4 Ų56.41%0.00529%0.292CS..Hα-helixtrans-63.2-27.8173.6-170.362.7000113.8V186 I189 L193 S207 L208 R209 M214 L216 I226 V230 L248 W252V186-L211 HydrophobicContact CG1-CD1 4.27Å; V186-L211 HydrophobicContact CG2-CD1 4.02Å; I189-L211 HydrophobicContact CD1-CB 4.34Å; I189-L211 HydrophobicContact CG2-CB 4.32Å; I189-L211 HydrophobicContact CG2-CD1 4.45Å; I189-L211 HydrophobicContact CG2-CD2 4.1Å; L193-L211 HydrophobicContact CD1-CD2 4.26Å; S207-L211 WeakPolarHBondContact O-CB 3.1Å; S207-L211 PolarHBondContact O-N 3.18Å; L208-L211 WeakPolarHBondContact O-CB 3.49Å; L208-L211 PolarHBondContact O-N 2.92Å; R209-L211 VanDerWaalsContact C-N 3.34Å; L211-M214 HydrophobicContact CD1-CE 3.87Å; L211-L216 HydrophobicContact CD1-CD1 3.74Å; L211-L216 HydrophobicContact CG-CD1 4.43Å; L211-I226 HydrophobicContact CD1-CG1 4.1Å; L211-I226 HydrophobicContact CD2-CD1 4.14Å; L211-I226 HydrophobicContact CD2-CG1 3.75Å; L211-V230 HydrophobicContact CD2-CG2 3.63Å; L211-L248 HydrophobicContact CD2-CD1 4.48Å; L211-W252 HydrophobicContact CD1-CZ2 4.38Å; L211-W252 HydrophobicContact CD2-CH2 3.87Å; L211-W252 HydrophobicContact CD2-CZ2 4.04Å; L211-W252 HydrophobicContact CG-CH2 4.32Å; L211-W252 HydrophobicContact CG-CZ2 3.98Å
212Q94.1Very high93.8Very high75 Ų7560.2 Ų60.235%0.3531%0.305SS..Hα-helixtrans-76.9-27.1172.5-165.3-170.61400113.2L208 R209 R210 L244 L248L208-Q212 PolarHBondContact O-N 2.82Å; R209-Q212 WeakPolarHBondContact O-CB 3.44Å; R209-Q212 PolarHBondContact O-N 3.14Å; R210-Q212 VanDerWaalsContact C-N 3.27Å; R210-Q212 PolarHBondContact O-N 2.88Å; Q212-L244 HydrophobicContact CB-CD1 4.29Å; Q212-L244 HydrophobicContact CG-CD1 4.36Å; Q212-L244 VanDerWaalsContact OE1-CD1 3.23Å; Q212-L248 HydrophobicContact CB-CD2 3.88Å; Q212-L248 HydrophobicContact CG-CD2 4.17Å
213L94.5Very high93.8Very high122 Ų12261 Ų6164%0.63931%0.312SS*.Hα-helixtrans-87.2-14-177.7-68.9168.1000113.1R209 R210R209-L213 HydrophobicContact CG-CD1 4.46Å; R209-L213 WeakPolarHBondContact O-CG 3.21Å; R209-L213 PolarHBondContact O-N 2.96Å; R210-L213 PolarHBondContact O-N 2.96Å; R210-L213 VanDerWaalsContact O-N 3.1Å
214M92.9Very high93.7Very high37 Ų3758.1 Ų58.118%0.18229%0.294CS..SBendtrans-83.5136.9173.3-67.4-172-65.700111.2I182 E185 V186 I189 R210 L211 L216I182-M214 HydrophobicContact CG2-SD 4.48Å; E185-M214 HydrophobicContact CB-CE 4.44Å; E185-M214 HydrophobicContact CB-SD 3.88Å; E185-M214 HydrophobicContact CG-CE 3.98Å; E185-M214 HydrophobicContact CG-SD 3.61Å; V186-M214 HydrophobicContact CG2-CE 3.54Å; V186-M214 HydrophobicContact CG2-SD 4.4Å; I189-M214 HydrophobicContact CD1-CE 3.63Å; R210-M214 PolarHBondContact O-N 2.98Å; L211-M214 HydrophobicContact CD1-CE 3.87Å; M214-L216 HydrophobicContact CB-CD2 3.68Å; M214-L216 HydrophobicContact CB-CG 4.46Å; M214-L216 HydrophobicContact CE-CD2 4.41Å; M214-L216 PolarHBondContact O-N 2.83Å; M214-L216 VanDerWaalsContact O-N 3.15Å
215Q86.1Confident93.6Very high180 Ų18062 Ų6284%0.84131%0.312SS*.  trans-79.293.6173.6-59.2-171.4108.700109
216L91.9Very high93.5Very high11 Ų1158.6 Ų58.66%0.05830%0.298CS..  trans-87.7125.5-177.4-52.1-172000111.1I182 V186 L211 M214 T220 L221 W252 L255I182-L216 HydrophobicContact CG2-CD2 3.7Å; V186-L216 HydrophobicContact CG2-CD1 4.45Å; V186-L216 HydrophobicContact CG2-CD2 3.54Å; L211-L216 HydrophobicContact CD1-CD1 3.74Å; L211-L216 HydrophobicContact CG-CD1 4.43Å; M214-L216 HydrophobicContact CB-CD2 3.68Å; M214-L216 HydrophobicContact CB-CG 4.46Å; M214-L216 HydrophobicContact CE-CD2 4.41Å; M214-L216 PolarHBondContact O-N 2.83Å; M214-L216 VanDerWaalsContact O-N 3.15Å; L216-T220 HydrophobicContact CD2-CG2 4.2Å; L216-L221 HydrophobicContact CB-CD2 4.24Å; L216-L221 HydrophobicContact CB-CG 4.28Å; L216-L221 HydrophobicContact CD1-CD2 3.84Å; L216-W252 HydrophobicContact CD1-CZ2 3.63Å; L216-L255 VanDerWaalsContact O-CD1 3.28Å; L216-L255 WeakPolarHBondContact O-CD1 3.33Å
217S92.1Very high93.4Very high38 Ų3854.8 Ų54.827%0.26628%0.281SS..  trans-79.3163.817382.40000111.2E179 S219 T220 L221E179-S217 PolarHBondContact OE1-OG 3.45Å; S217-S219 PolarHBondContact O-N 3.02Å; S217-S219 VanDerWaalsContact OG-CB 3.29Å; S217-S219 WeakPolarHBondContact OG-CB 3.49Å; S217-S219 PolarHBondContact OG-N 3.01Å; S217-T220 PolarHBondContact N-OG1 3.17Å; S217-T220 VanDerWaalsContact N-OG1 3.16Å; S217-T220 WeakPolarHBondContact O-CB 3.47Å; S217-T220 PolarHBondContact O-N 3.36Å; S217-T220 VanDerWaalsContact O-N 3.14Å; S217-T220 PolarHBondContact OG-N 2.88Å; S217-T220 PolarHBondContact OG-OG1 3.3Å; S217-L221 WeakPolarHBondContact O-CG 3.46Å; S217-L221 PolarHBondContact O-N 3.44Å
218V92.5Very high93.2Very high14 Ų1459.5 Ų59.59%0.08530%0.297CS..Hα-helixtrans-58.2-35.2168.9-178.70000110.6L221 K222 L255 V256 W259 L307V218-L221 PolarHBondContact O-N 2.92Å; V218-K222 WeakPolarHBondContact O-CB 3.31Å; V218-K222 PolarHBondContact O-N 3.07Å; V218-L255 HydrophobicContact CG2-CD2 3.36Å; V218-V256 HydrophobicContact CG2-CG2 4.48Å; V218-W259 HydrophobicContact CB-CD2 4.48Å; V218-W259 HydrophobicContact CB-CG 4.32Å; V218-W259 HydrophobicContact CG1-CD2 4.09Å; V218-W259 HydrophobicContact CG1-CE3 4.17Å; V218-W259 HydrophobicContact CG1-CG 4.41Å; V218-W259 HydrophobicContact CG2-CB 3.67Å; V218-W259 HydrophobicContact CG2-CD2 4.3Å; V218-W259 HydrophobicContact CG2-CG 3.77Å; V218-L307 HydrophobicContact CG1-CD1 4.09Å
219S92.6Very high93.1Very high75 Ų7559.5 Ų59.552%0.52430%0.297SS..Hα-helixtrans-61-48.4173.7-51.60000111S217 L221 K222 A223S217-S219 PolarHBondContact O-N 3.02Å; S217-S219 VanDerWaalsContact OG-CB 3.29Å; S217-S219 WeakPolarHBondContact OG-CB 3.49Å; S217-S219 PolarHBondContact OG-N 3.01Å; S219-L221 PolarHBondContact O-N 2.92Å; S219-K222 PolarHBondContact O-N 3.48Å; S219-A223 WeakPolarHBondContact O-CB 3.27Å; S219-A223 PolarHBondContact O-N 2.84Å
220T93.3Very high93Very high1 Ų154.1 Ų54.11%0.00628%0.277CS..Hα-helixtrans-59.1-48176.1-39.60000111.6E179 I182 V183 V186 L216 S217 K222 A223 T224E179-T220 PolarHBondContact OE1-OG1 2.96Å; I182-T220 HydrophobicContact CG2-CG2 4Å; V183-T220 HydrophobicContact CG2-CG2 3.98Å; V186-T220 HydrophobicContact CG2-CG2 4.16Å; L216-T220 HydrophobicContact CD2-CG2 4.2Å; S217-T220 PolarHBondContact N-OG1 3.17Å; S217-T220 VanDerWaalsContact N-OG1 3.16Å; S217-T220 WeakPolarHBondContact O-CB 3.47Å; S217-T220 PolarHBondContact O-N 3.36Å; S217-T220 VanDerWaalsContact O-N 3.14Å; S217-T220 PolarHBondContact OG-N 2.88Å; S217-T220 PolarHBondContact OG-OG1 3.3Å; T220-K222 VanDerWaalsContact C-N 3.34Å; T220-K222 PolarHBondContact O-N 3.26Å; T220-A223 PolarHBondContact O-N 3.48Å; T220-T224 HydrophobicContact CG2-CG2 4.25Å; T220-T224 WeakPolarHBondContact O-CB 3.32Å; T220-T224 VanDerWaalsContact O-CG2 3.27Å; T220-T224 WeakPolarHBondContact O-CG2 3.46Å; T220-T224 PolarHBondContact O-N 3.47Å; T220-T224 PolarHBondContact O-OG1 3.47Å
221L94.4Very high92.9Very high23 Ų2350.3 Ų50.312%0.1227%0.266CS..Hα-helixtrans-61.9-41.6-179.7-69.7174.2000112L216 S217 V218 S219 E225 I226 W252L216-L221 HydrophobicContact CB-CD2 4.24Å; L216-L221 HydrophobicContact CB-CG 4.28Å; L216-L221 HydrophobicContact CD1-CD2 3.84Å; S217-L221 WeakPolarHBondContact O-CG 3.46Å; S217-L221 PolarHBondContact O-N 3.44Å; V218-L221 PolarHBondContact O-N 2.92Å; S219-L221 PolarHBondContact O-N 2.92Å; L221-E225 WeakPolarHBondContact O-CA 3.36Å; L221-E225 PolarHBondContact O-N 3.39Å; L221-E225 VanDerWaalsContact O-N 3.12Å; L221-I226 HydrophobicContact CD2-CG2 3.7Å; L221-W252 HydrophobicContact CD1-CB 4.01Å; L221-W252 HydrophobicContact CD1-CD2 4.49Å; L221-W252 HydrophobicContact CD1-CG 3.92Å; L221-W252 HydrophobicContact CD2-CD2 3.72Å; L221-W252 HydrophobicContact CD2-CE3 4.19Å; L221-W252 HydrophobicContact CD2-CG 4Å; L221-W252 HydrophobicContact CD2-CH2 4.37Å; L221-W252 HydrophobicContact CD2-CZ2 3.97Å
222K92.7Very high92.6Very high145 Ų14558.3 Ų58.363%0.6330%0.296SS*.Hα-helixtrans-72-43.8179.1-177.5178176.9-178.90112.5V218 S219 T220V218-K222 WeakPolarHBondContact O-CB 3.31Å; V218-K222 PolarHBondContact O-N 3.07Å; S219-K222 PolarHBondContact O-N 3.48Å; T220-K222 VanDerWaalsContact C-N 3.34Å; T220-K222 PolarHBondContact O-N 3.26Å
223A92.5Very high92.5Very high77 Ų7754.8 Ų54.864%0.63628%0.279SS*.Hα-helixtrans-70.3-37.5-178.700000112.5S219 T220S219-A223 WeakPolarHBondContact O-CB 3.27Å; S219-A223 PolarHBondContact O-N 2.84Å; T220-A223 PolarHBondContact O-N 3.48Å
224T94.1Very high92.3Very high1 Ų153.8 Ų53.81%0.00627%0.267CS..Hα-helixtrans-87.5-20.4-178.263.20000113.5V183 V186 L187 K190 T220 I226V183-T224 HydrophobicContact CG1-CG2 4.19Å; V186-T224 HydrophobicContact CB-CG2 3.99Å; V186-T224 HydrophobicContact CG1-CG2 3.66Å; V186-T224 WeakPolarHBondContact CG1-OG1 3.24Å; L187-T224 HydrophobicContact CD2-CG2 4.21Å; L187-T224 HydrophobicContact CG-CG2 4.18Å; K190-T224 VanDerWaalsContact CD-O 3.28Å; K190-T224 WeakPolarHBondContact CD-O 3.38Å; K190-T224 VanDerWaalsContact CE-O 3.24Å; K190-T224 WeakPolarHBondContact CE-O 3.46Å; K190-T224 PolarHBondContact NZ-O 2.96Å; T220-T224 HydrophobicContact CG2-CG2 4.25Å; T220-T224 WeakPolarHBondContact O-CB 3.32Å; T220-T224 VanDerWaalsContact O-CG2 3.27Å; T220-T224 WeakPolarHBondContact O-CG2 3.46Å; T220-T224 PolarHBondContact O-N 3.47Å; T220-T224 PolarHBondContact O-OG1 3.47Å; T224-I226 PolarHBondContact O-N 3.25Å; T224-I226 VanDerWaalsContact O-N 3.17Å; T224-I226 WeakPolarHBondContact OG1-CG2 3.3Å; T224-I226 PolarHBondContact OG1-N 2.86Å
225E92.4Very high92.2Very high81 Ų8157.7 Ų57.738%0.37928%0.283SS..  trans51.725-168.5-51.4-169.3145.600114.6L221 G227 R228L221-E225 WeakPolarHBondContact O-CA 3.36Å; L221-E225 PolarHBondContact O-N 3.39Å; L221-E225 VanDerWaalsContact O-N 3.12Å; E225-G227 PolarHBondContact O-N 3.25Å; E225-R228 WeakPolarHBondContact O-CB 3.44Å; E225-R228 PolarHBondContact O-N 3.48Å; E225-R228 IonicContact OE1-CZ 3.68Å; E225-R228 IonicContact OE1-NH1 3.83Å; E225-R228 PolarHBondContact OE1-NH1 3.44Å; E225-R228 IonicContact OE1-NH2 3.19Å; E225-R228 IonicContact OE2-CZ 2.7Å; E225-R228 IonicContact OE2-NE 3.47Å; E225-R228 IonicContact OE2-NH1 2.66Å; E225-R228 PolarHBondContact OE2-NH1 2.87Å
226I94.2Very high92.5Very high0 Ų050.5 Ų50.50%025%0.249CC..Hα-helixtrans-54.5-30-172.8-17663.9000113.6V186 I189 K190 L193 L211 L221 T224 R228 A229 V230 W252V186-I226 HydrophobicContact CG1-CB 3.66Å; V186-I226 HydrophobicContact CG1-CD1 4.22Å; V186-I226 HydrophobicContact CG1-CG1 3.87Å; V186-I226 HydrophobicContact CG1-CG2 3.93Å; I189-I226 HydrophobicContact CG2-CD1 4.44Å; K190-I226 HydrophobicContact CB-CD1 3.7Å; K190-I226 HydrophobicContact CG-CD1 4.14Å; L193-I226 HydrophobicContact CD1-CD1 4.43Å; L211-I226 HydrophobicContact CD1-CG1 4.1Å; L211-I226 HydrophobicContact CD2-CD1 4.14Å; L211-I226 HydrophobicContact CD2-CG1 3.75Å; L221-I226 HydrophobicContact CD2-CG2 3.7Å; T224-I226 PolarHBondContact O-N 3.25Å; T224-I226 VanDerWaalsContact O-N 3.17Å; T224-I226 WeakPolarHBondContact OG1-CG2 3.3Å; T224-I226 PolarHBondContact OG1-N 2.86Å; I226-R228 PolarHBondContact O-N 3.35Å; I226-R228 VanDerWaalsContact O-N 3.16Å; I226-A229 HydrophobicContact CD1-CB 4.4Å; I226-A229 PolarHBondContact O-N 2.84Å; I226-V230 HydrophobicContact CD1-CG2 4.41Å; I226-V230 HydrophobicContact CG1-CG2 4.14Å; I226-V230 PolarHBondContact O-N 2.79Å; I226-W252 HydrophobicContact CG1-CH2 4.09Å; I226-W252 HydrophobicContact CG2-CH2 3.83Å; I226-W252 HydrophobicContact CG2-CZ2 4.29Å; I226-W252 HydrophobicContact CG2-CZ3 4.34Å
227G92.8Very high92.3Very high18 Ų1855.5 Ų55.519%0.18628%0.276CS..Hα-helixtrans-53.1-32.5173.400000114.4E225 N231E225-G227 PolarHBondContact O-N 3.25Å; G227-N231 VanDerWaalsContact O-CB 3.24Å; G227-N231 WeakPolarHBondContact O-CB 3.32Å; G227-N231 PolarHBondContact O-N 2.98Å
228R92.3Very high92.4Very high114 Ų11454.9 Ų54.943%0.4327%0.272SS..Hα-helixtrans-69.4-31.3176-71.8-178.1170161.11.9113.2E225 I226 R232E225-R228 WeakPolarHBondContact O-CB 3.44Å; E225-R228 PolarHBondContact O-N 3.48Å; E225-R228 IonicContact OE1-CZ 3.68Å; E225-R228 IonicContact OE1-NH1 3.83Å; E225-R228 PolarHBondContact OE1-NH1 3.44Å; E225-R228 IonicContact OE1-NH2 3.19Å; E225-R228 IonicContact OE2-CZ 2.7Å; E225-R228 IonicContact OE2-NE 3.47Å; E225-R228 IonicContact OE2-NH1 2.66Å; E225-R228 PolarHBondContact OE2-NH1 2.87Å; I226-R228 PolarHBondContact O-N 3.35Å; I226-R228 VanDerWaalsContact O-N 3.16Å; R228-R232 WeakPolarHBondContact O-CG 3.5Å
229A93.2Very high92.5Very high0 Ų064.2 Ų64.20%031%0.305CS..Hα-helixtrans-80.1-47175.900000110.6K190 L193 L194 I226 N231 R232K190-A229 HydrophobicContact CG-CB 4.07Å; L193-A229 HydrophobicContact CB-CB 3.97Å; L194-A229 HydrophobicContact CD2-CB 4.17Å; L194-A229 HydrophobicContact CG-CB 4.21Å; I226-A229 HydrophobicContact CD1-CB 4.4Å; I226-A229 PolarHBondContact O-N 2.84Å; A229-N231 PolarHBondContact O-N 3.29Å; A229-R232 WeakPolarHBondContact O-CB 3.45Å; A229-R232 PolarHBondContact O-N 3.43Å
230V94.3Very high92.6Very high0 Ų067 Ų670%031%0.31CS..Hα-helixtrans-60.8-41.6178.8169.40000112.5L193 L208 L211 I226 R232 L233 V245 I249 W252L193-V230 HydrophobicContact CD1-CG2 3.57Å; L208-V230 HydrophobicContact CD2-CG1 4.39Å; L208-V230 HydrophobicContact CD2-CG2 3.98Å; L211-V230 HydrophobicContact CD2-CG2 3.63Å; I226-V230 HydrophobicContact CD1-CG2 4.41Å; I226-V230 HydrophobicContact CG1-CG2 4.14Å; I226-V230 PolarHBondContact O-N 2.79Å; V230-R232 PolarHBondContact O-N 2.99Å; V230-L233 WeakPolarHBondContact O-CB 3.27Å; V230-L233 PolarHBondContact O-N 3.38Å; V230-V245 HydrophobicContact CG1-CB 4.42Å; V230-V245 HydrophobicContact CG1-CG1 3.93Å; V230-V245 HydrophobicContact CG1-CG2 4.28Å; V230-V245 WeakPolarHBondContact O-CG1 3.32Å; V230-I249 HydrophobicContact CG1-CD1 4.29Å; V230-I249 HydrophobicContact CG1-CG1 4.12Å; V230-W252 HydrophobicContact CB-CH2 4.24Å; V230-W252 HydrophobicContact CB-CZ3 4.02Å; V230-W252 HydrophobicContact CG1-CH2 4.38Å; V230-W252 HydrophobicContact CG1-CZ3 4.06Å; V230-W252 HydrophobicContact CG2-CH2 3.79Å; V230-W252 HydrophobicContact CG2-CZ3 4.09Å
231N91.5Very high92.7Very high44 Ų4467 Ų6724%0.23531%0.31CS..Hα-helixtrans-63.3-26.8179.5-169.440.4000113.3G227 A229 L233 R234 I249 M314G227-N231 VanDerWaalsContact O-CB 3.24Å; G227-N231 WeakPolarHBondContact O-CB 3.32Å; G227-N231 PolarHBondContact O-N 2.98Å; A229-N231 PolarHBondContact O-N 3.29Å; N231-L233 PolarHBondContact O-N 2.68Å; N231-R234 VanDerWaalsContact O-CB 3.27Å; N231-R234 WeakPolarHBondContact O-CB 3.44Å; N231-R234 PolarHBondContact O-N 2.99Å; N231-R234 VanDerWaalsContact O-N 3.1Å; N231-I249 HydrophobicContact CB-CD1 4.4Å; N231-M314 PolarHBondContact ND2-SD 3.09Å
232R90.6Very high92.7Very high168 Ų16870.9 Ų70.963%0.63432%0.323SS*.Hα-helixtrans-62.7-23.7173.9-66.5174.1-178.5-81.83112.6R228 A229 V230R228-R232 WeakPolarHBondContact O-CG 3.5Å; A229-R232 WeakPolarHBondContact O-CB 3.45Å; A229-R232 PolarHBondContact O-N 3.43Å; V230-R232 PolarHBondContact O-N 2.99Å
233L92.2Very high92.9Very high1 Ų170.4 Ų70.41%0.00532%0.323CS..G310 helixtrans-88.6-1.3179-59.8172000113L193 K196 L204 L208 V230 N231 K235 H236 I241 V245L193-L233 HydrophobicContact CB-CD1 4.18Å; L193-L233 HydrophobicContact CD1-CD1 4.23Å; L193-L233 HydrophobicContact CD2-CD1 3.81Å; L193-L233 HydrophobicContact CG-CD1 4.26Å; K196-L233 HydrophobicContact CB-CD2 4.01Å; K196-L233 HydrophobicContact CD-CD2 4.03Å; L204-L233 HydrophobicContact CD1-CD2 4.49Å; L208-L233 HydrophobicContact CD1-CD1 4.07Å; L208-L233 HydrophobicContact CD2-CD1 4.36Å; L208-L233 HydrophobicContact CG-CD1 4.48Å; V230-L233 WeakPolarHBondContact O-CB 3.27Å; V230-L233 PolarHBondContact O-N 3.38Å; N231-L233 PolarHBondContact O-N 2.68Å; L233-K235 PolarHBondContact O-N 3.41Å; L233-H236 VanDerWaalsContact O-CB 3.25Å; L233-H236 WeakPolarHBondContact O-CB 3.34Å; L233-H236 PolarHBondContact O-N 3.44Å; L233-I241 HydrophobicContact CB-CG2 4.17Å; L233-V245 HydrophobicContact CB-CG2 3.67Å
234R90.5Very high93Very high102 Ų10267.4 Ų67.439%0.38530%0.296SS..G310 helixtrans-61.2-25174.6-157.5-176.894.4-166.57.3112.8N231 R242 V245N231-R234 VanDerWaalsContact O-CB 3.27Å; N231-R234 WeakPolarHBondContact O-CB 3.44Å; N231-R234 PolarHBondContact O-N 2.99Å; N231-R234 VanDerWaalsContact O-N 3.1Å; R234-R242 WeakPolarHBondContact O-CD 3.34Å; R234-R242 WeakPolarHBondContact O-CG 3.47Å; R234-V245 HydrophobicContact CB-CG1 4.26Å
235K89.3Confident93.1Very high118 Ų11867.3 Ų67.351%0.51330%0.295SS..G310 helixtrans-100.813.4176.2-59.2-169-175.7-170.70114.1L233 E316 D317L233-K235 PolarHBondContact O-N 3.41Å; K235-E316 WeakPolarHBondContact CE-O 3.19Å; K235-E316 PolarHBondContact NZ-O 3.5Å; K235-D317 IonicContact NZ-OD1 3.48Å; K235-D317 PolarHBondContact NZ-OD1 3.02Å
236H92.7Very high93.3Very high30 Ų3065.6 Ų65.614%0.13929%0.292CS..  trans-60.8156-177.1-153.8-98000113.3D201 L233 I241 R242D201-H236 IonicContact OD1-CE1 3.64Å; D201-H236 IonicContact OD2-CE1 3.52Å; D201-H236 PolarHBondContact OD2-CE1 2.96Å; D201-H236 IonicContact OD2-ND1 3.42Å; L233-H236 VanDerWaalsContact O-CB 3.25Å; L233-H236 WeakPolarHBondContact O-CB 3.34Å; L233-H236 PolarHBondContact O-N 3.44Å; H236-I241 HydrophobicContact CB-CB 4.42Å; H236-I241 HydrophobicContact CB-CG2 3.72Å; H236-I241 VanDerWaalsContact CE1-CD1 3.49Å; H236-I241 WeakPolarHBondContact CE1-CD1 3.45Å; H236-I241 WeakPolarHBondContact ND1-CD1 3.35Å; H236-R242 HydrophobicContact CB-CG 4.11Å; H236-R242 WeakPolarHBondContact O-CD 3.38Å; H236-R242 PolarHBondContact O-NE 2.97Å
237N89.1Confident93.3Very high116 Ų11667.9 Ų67.962%0.6231%0.306SS*.SBendtrans-69.1-51179.657.11.2000111.7D201 R242D201-N237 PolarHBondContact OD2-OD1 3.35Å; N237-R242 PolarHBondContact O-NH2 3.48Å
238S93.8Very high93.4Very high24 Ų2467.4 Ų67.417%0.16830%0.299CS..SBendtrans-54.4140174.21680000112.2D201 E240 I241 R242D201-S238 WeakPolarHBondContact OD2-CB 3.4Å; S238-E240 PolarHBondContact OG-N 3.1Å; S238-I241 PolarHBondContact OG-N 3.47Å; S238-R242 PolarHBondContact O-NE 2.87Å
239R94.6Very high93.5Very high211 Ų21163.3 Ų63.380%0.79629%0.285SS*.Hα-helixtrans-75.5-33.4175.8179.9179.9174-166.3-3.8111.6H243R239-H243 WeakPolarHBondContact O-CB 3.31Å; R239-H243 PolarHBondContact O-N 3.36Å
240E94.7Very high93.6Very high134 Ų13469.1 Ų69.163%0.62631%0.312SS*.Hα-helixtrans-75.9-44.9-172.9-65.7169.6142.300110.4F205 S238 R242 H243 L244F205-E240 HydrophobicContact CD2-CB 4.1Å; F205-E240 HydrophobicContact CE2-CB 3.9Å; S238-E240 PolarHBondContact OG-N 3.1Å; E240-R242 PolarHBondContact O-N 3.25Å; E240-H243 PolarHBondContact O-N 3.36Å; E240-L244 WeakPolarHBondContact O-CB 3.41Å; E240-L244 PolarHBondContact O-N 2.8Å
241I95.3Very high93.6Very high0 Ų071 Ų710%033%0.332CS..Hα-helixtrans-55.1-51.6169.7-71.6172.3000110.5D201 L204 F205 L208 L233 H236 S238 H243 L244 V245D201-I241 HydrophobicContact CB-CD1 4.03Å; D201-I241 WeakPolarHBondContact O-CD1 3.45Å; L204-I241 HydrophobicContact CB-CD1 3.95Å; F205-I241 HydrophobicContact CB-CG1 4.08Å; F205-I241 HydrophobicContact CD2-CG1 4.38Å; L208-I241 HydrophobicContact CD1-CB 4.45Å; L208-I241 HydrophobicContact CD1-CG1 4.45Å; L208-I241 HydrophobicContact CD1-CG2 3.82Å; L233-I241 HydrophobicContact CB-CG2 4.17Å; H236-I241 HydrophobicContact CB-CB 4.42Å; H236-I241 HydrophobicContact CB-CG2 3.72Å; H236-I241 VanDerWaalsContact CE1-CD1 3.49Å; H236-I241 WeakPolarHBondContact CE1-CD1 3.45Å; H236-I241 WeakPolarHBondContact ND1-CD1 3.35Å; S238-I241 PolarHBondContact OG-N 3.47Å; I241-H243 PolarHBondContact O-N 3.31Å; I241-L244 PolarHBondContact O-N 3.34Å; I241-V245 HydrophobicContact CG2-CG2 4.23Å; I241-V245 WeakPolarHBondContact O-CB 3.33Å; I241-V245 WeakPolarHBondContact O-CG2 3.46Å; I241-V245 PolarHBondContact O-N 3.12Å
242R94.8Very high93.8Very high105 Ų10570.1 Ų70.140%0.39633%0.325SS..Hα-helixtrans-60.4-42.7179.3-81.1-174.9-73.5170.4-15.8113.3R234 H236 N237 S238 E240 V245 C246R234-R242 WeakPolarHBondContact O-CD 3.34Å; R234-R242 WeakPolarHBondContact O-CG 3.47Å; H236-R242 HydrophobicContact CB-CG 4.11Å; H236-R242 WeakPolarHBondContact O-CD 3.38Å; H236-R242 PolarHBondContact O-NE 2.97Å; N237-R242 PolarHBondContact O-NH2 3.48Å; S238-R242 PolarHBondContact O-NE 2.87Å; E240-R242 PolarHBondContact O-N 3.25Å; R242-V245 PolarHBondContact O-N 3.48Å; R242-C246 PolarHBondContact O-N 2.82Å; R242-C246 PolarHBondContact O-SG 3.02Å; R242-C246 VanDerWaalsContact O-SG 3.36Å
243H95.6Very high93.9Very high135 Ų13565.5 Ų65.563%0.62531%0.31SS*.Hα-helixtrans-63.1-47.1178.7-178.519.5000111.3R239 E240 I241 C246 T247R239-H243 WeakPolarHBondContact O-CB 3.31Å; R239-H243 PolarHBondContact O-N 3.36Å; E240-H243 PolarHBondContact O-N 3.36Å; I241-H243 PolarHBondContact O-N 3.31Å; H243-C246 PolarHBondContact O-N 2.96Å; H243-T247 PolarHBondContact O-N 3.06Å; H243-T247 PolarHBondContact O-OG1 2.9Å
244L95.7Very high94Very high13 Ų1370 Ų707%0.06834%0.337CS..Hα-helixtrans-63.7-40.3178.6-178.754.7000112F205 L208 R209 Q212 E240 I241 T247 L248F205-L244 HydrophobicContact CD2-CD2 3.9Å; F205-L244 HydrophobicContact CE2-CD2 3.73Å; F205-L244 HydrophobicContact CZ-CD2 4.31Å; L208-L244 HydrophobicContact CB-CD2 3.57Å; L208-L244 HydrophobicContact CB-CG 4.02Å; R209-L244 HydrophobicContact CB-CD2 4.23Å; Q212-L244 HydrophobicContact CB-CD1 4.29Å; Q212-L244 HydrophobicContact CG-CD1 4.36Å; Q212-L244 VanDerWaalsContact OE1-CD1 3.23Å; E240-L244 WeakPolarHBondContact O-CB 3.41Å; E240-L244 PolarHBondContact O-N 2.8Å; I241-L244 PolarHBondContact O-N 3.34Å; L244-T247 PolarHBondContact O-N 3.35Å; L244-L248 HydrophobicContact CD1-CD1 4.5Å; L244-L248 HydrophobicContact CG-CD1 4.3Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.17Å; L244-L248 PolarHBondContact O-N 3.33Å
245V96.1Very high94.2Very high0 Ų068 Ų680%033%0.334CS..Hα-helixtrans-60.3-45.1173.21660000111.8L208 V230 L233 R234 I241 R242 L248 I249L208-V245 HydrophobicContact CD1-CG2 3.76Å; L208-V245 HydrophobicContact CD2-CG2 3.95Å; V230-V245 HydrophobicContact CG1-CB 4.42Å; V230-V245 HydrophobicContact CG1-CG1 3.93Å; V230-V245 HydrophobicContact CG1-CG2 4.28Å; V230-V245 WeakPolarHBondContact O-CG1 3.32Å; L233-V245 HydrophobicContact CB-CG2 3.67Å; R234-V245 HydrophobicContact CB-CG1 4.26Å; I241-V245 HydrophobicContact CG2-CG2 4.23Å; I241-V245 WeakPolarHBondContact O-CB 3.33Å; I241-V245 WeakPolarHBondContact O-CG2 3.46Å; I241-V245 PolarHBondContact O-N 3.12Å; R242-V245 PolarHBondContact O-N 3.48Å; V245-L248 PolarHBondContact O-N 2.98Å; V245-I249 HydrophobicContact CG1-CD1 3.83Å; V245-I249 VanDerWaalsContact O-CG1 3.31Å; V245-I249 WeakPolarHBondContact O-CG1 3.5Å; V245-I249 PolarHBondContact O-N 3.02Å
246C95.1Very high94.4Very high44 Ų4463 Ų6330%0.29731%0.312SS..Hα-helixtrans-62.2-47.5175.4-68.40000111.4R242 H243 L248 I249 E250R242-C246 PolarHBondContact O-N 2.82Å; R242-C246 PolarHBondContact O-SG 3.02Å; R242-C246 VanDerWaalsContact O-SG 3.36Å; H243-C246 PolarHBondContact O-N 2.96Å; C246-L248 VanDerWaalsContact C-N 3.33Å; C246-L248 PolarHBondContact O-N 3.48Å; C246-I249 PolarHBondContact O-N 3.36Å; C246-E250 WeakPolarHBondContact O-CB 3.47Å; C246-E250 VanDerWaalsContact O-CG 3.25Å; C246-E250 WeakPolarHBondContact O-CG 3.29Å; C246-E250 PolarHBondContact O-N 3.28Å
247T94.8Very high94.5Very high49 Ų4964.8 Ų64.830%0.30132%0.323SS..Hα-helixtrans-63.2-35.3179.6-60.70000113H243 L244 G251H243-T247 PolarHBondContact O-N 3.06Å; H243-T247 PolarHBondContact O-OG1 2.9Å; L244-T247 PolarHBondContact O-N 3.35Å; T247-G251 PolarHBondContact O-N 3.35Å
248L95.7Very high94.7Very high7 Ų765.3 Ų65.34%0.03732%0.322CS..Hα-helixtrans-62.8-50.2171.3-78.7164.9000111.6L208 L211 Q212 L244 V245 C246 E250 G251 W252L208-L248 HydrophobicContact CB-CD1 4.29Å; L208-L248 HydrophobicContact CD2-CD1 3.71Å; L211-L248 HydrophobicContact CD2-CD1 4.48Å; Q212-L248 HydrophobicContact CB-CD2 3.88Å; Q212-L248 HydrophobicContact CG-CD2 4.17Å; L244-L248 HydrophobicContact CD1-CD1 4.5Å; L244-L248 HydrophobicContact CG-CD1 4.3Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.17Å; L244-L248 PolarHBondContact O-N 3.33Å; V245-L248 PolarHBondContact O-N 2.98Å; C246-L248 VanDerWaalsContact C-N 3.33Å; C246-L248 PolarHBondContact O-N 3.48Å; L248-E250 VanDerWaalsContact C-N 3.35Å; L248-E250 PolarHBondContact O-N 3.1Å; L248-G251 PolarHBondContact O-N 3.33Å; L248-W252 HydrophobicContact CD2-CZ2 4.04Å; L248-W252 WeakPolarHBondContact O-CB 3.48Å; L248-W252 PolarHBondContact O-N 2.92Å
249I94.6Very high94.7Very high29 Ų2969.8 Ų69.815%0.14934%0.335CS..Hα-helixtrans-64.4-39.8-179.7-66.8167.3000111.2V230 N231 V245 C246 K253V230-I249 HydrophobicContact CG1-CD1 4.29Å; V230-I249 HydrophobicContact CG1-CG1 4.12Å; N231-I249 HydrophobicContact CB-CD1 4.4Å; V245-I249 HydrophobicContact CG1-CD1 3.83Å; V245-I249 VanDerWaalsContact O-CG1 3.31Å; V245-I249 WeakPolarHBondContact O-CG1 3.5Å; V245-I249 PolarHBondContact O-N 3.02Å; C246-I249 PolarHBondContact O-N 3.36Å; I249-K253 WeakPolarHBondContact O-CG 3.39Å; I249-K253 PolarHBondContact O-N 3.01Å
250E94.4Very high94.6Very high121 Ų12161.4 Ų61.457%0.56531%0.307SS*.Hα-helixtrans-62.7-47.6175.6-73.9161.1-164.200111.5C246 L248 K253 V254C246-E250 WeakPolarHBondContact O-CB 3.47Å; C246-E250 VanDerWaalsContact O-CG 3.25Å; C246-E250 WeakPolarHBondContact O-CG 3.29Å; C246-E250 PolarHBondContact O-N 3.28Å; L248-E250 VanDerWaalsContact C-N 3.35Å; L248-E250 PolarHBondContact O-N 3.1Å; E250-K253 PolarHBondContact O-N 2.94Å; E250-V254 PolarHBondContact O-N 3.46Å
251G93.7Very high94.5Very high39 Ų3958.6 Ų58.640%0.40230%0.303SS..Hα-helixtrans-62.9-42.1176.800000113.1T247 L248 V254 L255T247-G251 PolarHBondContact O-N 3.35Å; L248-G251 PolarHBondContact O-N 3.33Å; G251-V254 PolarHBondContact O-N 3.36Å; G251-L255 PolarHBondContact O-N 3.45Å; G251-L255 VanDerWaalsContact O-N 3.08Å
252W95.9Very high94.4Very high26 Ų2662.9 Ų62.910%0.09833%0.329CS..Hα-helixtrans-68.8-33.1176.7-63-20.4000113.3L211 L216 L221 I226 V230 L248 L255 V256L211-W252 HydrophobicContact CD1-CZ2 4.38Å; L211-W252 HydrophobicContact CD2-CH2 3.87Å; L211-W252 HydrophobicContact CD2-CZ2 4.04Å; L211-W252 HydrophobicContact CG-CH2 4.32Å; L211-W252 HydrophobicContact CG-CZ2 3.98Å; L216-W252 HydrophobicContact CD1-CZ2 3.63Å; L221-W252 HydrophobicContact CD1-CB 4.01Å; L221-W252 HydrophobicContact CD1-CD2 4.49Å; L221-W252 HydrophobicContact CD1-CG 3.92Å; L221-W252 HydrophobicContact CD2-CD2 3.72Å; L221-W252 HydrophobicContact CD2-CE3 4.19Å; L221-W252 HydrophobicContact CD2-CG 4Å; L221-W252 HydrophobicContact CD2-CH2 4.37Å; L221-W252 HydrophobicContact CD2-CZ2 3.97Å; I226-W252 HydrophobicContact CG1-CH2 4.09Å; I226-W252 HydrophobicContact CG2-CH2 3.83Å; I226-W252 HydrophobicContact CG2-CZ2 4.29Å; I226-W252 HydrophobicContact CG2-CZ3 4.34Å; V230-W252 HydrophobicContact CB-CH2 4.24Å; V230-W252 HydrophobicContact CB-CZ3 4.02Å; V230-W252 HydrophobicContact CG1-CH2 4.38Å; V230-W252 HydrophobicContact CG1-CZ3 4.06Å; V230-W252 HydrophobicContact CG2-CH2 3.79Å; V230-W252 HydrophobicContact CG2-CZ3 4.09Å; L248-W252 HydrophobicContact CD2-CZ2 4.04Å; L248-W252 WeakPolarHBondContact O-CB 3.48Å; L248-W252 PolarHBondContact O-N 2.92Å; W252-L255 PolarHBondContact O-N 3.04Å; W252-V256 WeakPolarHBondContact O-CB 3.5Å; W252-V256 WeakPolarHBondContact O-CG2 3.34Å; W252-V256 PolarHBondContact O-N 3.1Å
253K94.2Very high94.1Very high72 Ų7260.3 Ų60.331%0.31333%0.325SS..Hα-helixtrans-61.5-47.6171.7-82-164.2171.9-152.20110.9I249 E250 L255 V256 D257 D312I249-K253 WeakPolarHBondContact O-CG 3.39Å; I249-K253 PolarHBondContact O-N 3.01Å; E250-K253 PolarHBondContact O-N 2.94Å; K253-L255 VanDerWaalsContact C-N 3.34Å; K253-L255 PolarHBondContact O-N 2.72Å; K253-V256 PolarHBondContact O-N 2.86Å; K253-D257 WeakPolarHBondContact O-CB 3.27Å; K253-D257 VanDerWaalsContact O-CG 3.27Å; K253-D257 PolarHBondContact O-N 3.16Å; K253-D312 IonicContact NZ-OD1 2.68Å
254V94.6Very high93.8Very high94 Ų9458 Ų5857%0.5732%0.318SS*.Hα-helixtrans-58-46176.2175.60000111.6E250 G251 V256 D257 E258E250-V254 PolarHBondContact O-N 3.46Å; G251-V254 PolarHBondContact O-N 3.36Å; V254-V256 VanDerWaalsContact C-N 3.34Å; V254-V256 PolarHBondContact O-N 2.94Å; V254-D257 PolarHBondContact O-N 3.47Å; V254-E258 VanDerWaalsContact O-CB 3.31Å; V254-E258 WeakPolarHBondContact O-CB 3.46Å; V254-E258 PolarHBondContact O-N 2.7Å
255L94.3Very high93.4Very high62 Ų6259.7 Ų59.733%0.32533%0.333SS..Hα-helixtrans-62-40.3179.6-159.8162.4000112L216 V218 G251 W252 K253 W259L216-L255 VanDerWaalsContact O-CD1 3.28Å; L216-L255 WeakPolarHBondContact O-CD1 3.33Å; V218-L255 HydrophobicContact CG2-CD2 3.36Å; G251-L255 PolarHBondContact O-N 3.45Å; G251-L255 VanDerWaalsContact O-N 3.08Å; W252-L255 PolarHBondContact O-N 3.04Å; K253-L255 VanDerWaalsContact C-N 3.34Å; K253-L255 PolarHBondContact O-N 2.72Å; L255-W259 WeakPolarHBondContact O-CB 3.43Å; L255-W259 PolarHBondContact O-N 3.45Å; L255-W259 VanDerWaalsContact O-N 3.12Å
256V93.7Very high92.8Very high11 Ų1162.1 Ų62.17%0.06735%0.353CS..Hα-helixtrans-69.6-45.1174.6166.10000112V218 W252 K253 V254 E258 W259 V260 L307V218-V256 HydrophobicContact CG2-CG2 4.48Å; W252-V256 WeakPolarHBondContact O-CB 3.5Å; W252-V256 WeakPolarHBondContact O-CG2 3.34Å; W252-V256 PolarHBondContact O-N 3.1Å; K253-V256 PolarHBondContact O-N 2.86Å; V254-V256 VanDerWaalsContact C-N 3.34Å; V254-V256 PolarHBondContact O-N 2.94Å; V256-E258 VanDerWaalsContact C-N 3.32Å; V256-E258 PolarHBondContact O-N 2.66Å; V256-W259 PolarHBondContact O-N 3.28Å; V256-V260 HydrophobicContact CG1-CG2 4.41Å; V256-V260 WeakPolarHBondContact O-CB 3.27Å; V256-V260 WeakPolarHBondContact O-CG2 3.43Å; V256-V260 PolarHBondContact O-N 2.84Å; V256-L307 HydrophobicContact CG1-CB 3.46Å; V256-L307 VanDerWaalsContact CG1-CB 3.46Å; V256-L307 HydrophobicContact CG1-CD1 3.94Å; V256-L307 HydrophobicContact CG1-CG 4.36Å
257D94.3Very high92.1Very high69 Ų6965.7 Ų65.737%0.36937%0.368SS..Hα-helixtrans-67.4-33.2-179.3-69.7-31.4000111.3K253 V254 S261 S308K253-D257 WeakPolarHBondContact O-CB 3.27Å; K253-D257 VanDerWaalsContact O-CG 3.27Å; K253-D257 PolarHBondContact O-N 3.16Å; V254-D257 PolarHBondContact O-N 3.47Å; D257-S261 VanDerWaalsContact O-CB 3.24Å; D257-S261 WeakPolarHBondContact O-CB 3.16Å; D257-S261 PolarHBondContact O-N 2.93Å; D257-S261 PolarHBondContact O-OG 3.49Å; D257-S308 PolarHBondContact OD1-OG 2.68Å; D257-S308 VanDerWaalsContact OD1-OG 3.09Å
258E93.8Very high90.9Very high126 Ų12668 Ų6859%0.58938%0.383SS*.Hα-helixtrans-65.7-46.9170.6-178.5173.9-177.400111.7V254 V256 S261 T262V254-E258 VanDerWaalsContact O-CB 3.31Å; V254-E258 WeakPolarHBondContact O-CB 3.46Å; V254-E258 PolarHBondContact O-N 2.7Å; V256-E258 VanDerWaalsContact C-N 3.32Å; V256-E258 PolarHBondContact O-N 2.66Å; E258-S261 PolarHBondContact O-N 3.11Å; E258-T262 WeakPolarHBondContact O-CB 3.32Å; E258-T262 PolarHBondContact O-N 3.47Å; E258-T262 PolarHBondContact O-OG1 3.31Å; E258-T262 VanDerWaalsContact O-OG1 3.14Å
259W93.7Very high89.1Confident119 Ų11975.7 Ų75.745%0.45142%0.419SS..Hα-helixtrans-62.8-42.3176.1176.383.6000112.5V218 L255 V256 S261 T263 L307V218-W259 HydrophobicContact CB-CD2 4.48Å; V218-W259 HydrophobicContact CB-CG 4.32Å; V218-W259 HydrophobicContact CG1-CD2 4.09Å; V218-W259 HydrophobicContact CG1-CE3 4.17Å; V218-W259 HydrophobicContact CG1-CG 4.41Å; V218-W259 HydrophobicContact CG2-CB 3.67Å; V218-W259 HydrophobicContact CG2-CD2 4.3Å; V218-W259 HydrophobicContact CG2-CG 3.77Å; L255-W259 WeakPolarHBondContact O-CB 3.43Å; L255-W259 PolarHBondContact O-N 3.45Å; L255-W259 VanDerWaalsContact O-N 3.12Å; V256-W259 PolarHBondContact O-N 3.28Å; W259-S261 VanDerWaalsContact C-N 3.35Å; W259-T263 VanDerWaalsContact O-CB 3.28Å; W259-T263 WeakPolarHBondContact O-CB 3.35Å; W259-T263 PolarHBondContact O-N 3.47Å; W259-T263 PolarHBondContact O-OG1 3.03Å; W259-L307 HydrophobicContact CE3-CD1 4.09Å; W259-L307 HydrophobicContact CZ3-CD1 3.79Å
260V92.6Very high87.1Confident34 Ų3480.6 Ų80.621%0.20645%0.445CS..Hα-helixtrans-62.1-43172.8169.90000110.5V256 T263 N264V256-V260 HydrophobicContact CG1-CG2 4.41Å; V256-V260 WeakPolarHBondContact O-CB 3.27Å; V256-V260 WeakPolarHBondContact O-CG2 3.43Å; V256-V260 PolarHBondContact O-N 2.84Å; V260-T263 PolarHBondContact O-N 3.14Å; V260-N264 WeakPolarHBondContact CG1-ND2 3.32Å; V260-N264 VanDerWaalsContact O-CB 3.3Å; V260-N264 WeakPolarHBondContact O-CB 3.24Å; V260-N264 PolarHBondContact O-N 3.3Å; V260-N264 PolarHBondContact O-ND2 2.96Å
261S92.3Very high84.6Confident76 Ų7679.1 Ų79.153%0.53145%0.448SS..Hα-helixtrans-63.7-45.7179-62.70000112.2D257 E258 W259 N264 A265D257-S261 VanDerWaalsContact O-CB 3.24Å; D257-S261 WeakPolarHBondContact O-CB 3.16Å; D257-S261 PolarHBondContact O-N 2.93Å; D257-S261 PolarHBondContact O-OG 3.49Å; E258-S261 PolarHBondContact O-N 3.11Å; W259-S261 VanDerWaalsContact C-N 3.35Å; S261-N264 PolarHBondContact O-N 2.87Å; S261-A265 WeakPolarHBondContact O-CB 3.13Å; S261-A265 PolarHBondContact O-N 2.81Å
262T91.9Very high82.2Confident90 Ų9083.1 Ų83.155%0.55247%0.467SS*.Hα-helixtrans-65.6-41.5176.9-62.80000111.7E258 A265 A266E258-T262 WeakPolarHBondContact O-CB 3.32Å; E258-T262 PolarHBondContact O-N 3.47Å; E258-T262 PolarHBondContact O-OG1 3.31Å; E258-T262 VanDerWaalsContact O-OG1 3.14Å; T262-A265 PolarHBondContact O-N 3.42Å; T262-A266 PolarHBondContact O-N 3.08Å
263T90.1Very high79.5Confident51 Ų5184.9 Ų84.931%0.31349%0.493SS..Hα-helixtrans-63.2-44.4176-58.10000111.2W259 V260 A266 L267W259-T263 VanDerWaalsContact O-CB 3.28Å; W259-T263 WeakPolarHBondContact O-CB 3.35Å; W259-T263 PolarHBondContact O-N 3.47Å; W259-T263 PolarHBondContact O-OG1 3.03Å; V260-T263 PolarHBondContact O-N 3.14Å; T263-A266 PolarHBondContact O-N 3.34Å; T263-L267 HydrophobicContact CG2-CD1 4.2Å; T263-L267 VanDerWaalsContact O-CG 3.31Å; T263-L267 WeakPolarHBondContact O-CG 3.47Å; T263-L267 PolarHBondContact O-N 3.43Å; T263-L267 VanDerWaalsContact O-N 3.09Å
264N89.2Confident77.1Confident87 Ų8786.2 Ų86.247%0.46551%0.512SS..Hα-helixtrans-64.6-40.3176.4-72.5-20.6000111.9V260 S261 L267 T268V260-N264 WeakPolarHBondContact CG1-ND2 3.32Å; V260-N264 VanDerWaalsContact O-CB 3.3Å; V260-N264 WeakPolarHBondContact O-CB 3.24Å; V260-N264 PolarHBondContact O-N 3.3Å; V260-N264 PolarHBondContact O-ND2 2.96Å; S261-N264 PolarHBondContact O-N 2.87Å; N264-L267 PolarHBondContact O-N 3.03Å; N264-T268 WeakPolarHBondContact O-CG2 3.28Å; N264-T268 PolarHBondContact O-N 3.18Å; N264-T268 PolarHBondContact O-OG1 2.97Å
265A87Confident74.6Confident47 Ų4787 Ų8739%0.38852%0.522SS..Hα-helixtrans-59.4-51.3176.400000111.3S261 T262 L267 T268 E269S261-A265 WeakPolarHBondContact O-CB 3.13Å; S261-A265 PolarHBondContact O-N 2.81Å; T262-A265 PolarHBondContact O-N 3.42Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.43Å; A265-T268 PolarHBondContact O-N 3.41Å; A265-T268 PolarHBondContact O-OG1 3.16Å; A265-E269 PolarHBondContact O-N 3.17Å
266A83.8Confident72.4Confident52 Ų5291.2 Ų91.243%0.4354%0.544SS..Hα-helixtrans-56.2-45.9177.100000112.4T262 T263 T268 E269 N270T262-A266 PolarHBondContact O-N 3.08Å; T263-A266 PolarHBondContact O-N 3.34Å; A266-T268 VanDerWaalsContact C-N 3.27Å; A266-T268 PolarHBondContact O-N 3.2Å; A266-E269 PolarHBondContact O-N 3.45Å; A266-N270 PolarHBondContact O-N 3.19Å; A266-N270 PolarHBondContact O-OD1 3.13Å
267L79.3Confident69.9Low118 Ų11896.8 Ų96.862%0.61858%0.581SS**Hα-helixtrans-61.7-32.2176.2-70.5170.4000113T263 N264 A265T263-L267 HydrophobicContact CG2-CD1 4.2Å; T263-L267 VanDerWaalsContact O-CG 3.31Å; T263-L267 WeakPolarHBondContact O-CG 3.47Å; T263-L267 PolarHBondContact O-N 3.43Å; T263-L267 VanDerWaalsContact O-N 3.09Å; N264-L267 PolarHBondContact O-N 3.03Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.43Å
268T70.4Confident67.5Low99 Ų9998.5 Ų98.561%0.60760%0.598SS**Hα-helixtrans-78.1-33.4175.456.30000113.9N264 A265 A266 N270 S271N264-T268 WeakPolarHBondContact O-CG2 3.28Å; N264-T268 PolarHBondContact O-N 3.18Å; N264-T268 PolarHBondContact O-OG1 2.97Å; A265-T268 PolarHBondContact O-N 3.41Å; A265-T268 PolarHBondContact O-OG1 3.16Å; A266-T268 VanDerWaalsContact C-N 3.27Å; A266-T268 PolarHBondContact O-N 3.2Å; T268-N270 PolarHBondContact O-N 3.02Å; T268-S271 PolarHBondContact O-N 3.02Å
269E58Low65.3Low168 Ų16898.4 Ų98.479%0.78561%0.606SS**Hα-helixtrans-72.5-15.9179.1-69.6-160.1129.400113.4A265 A266 S271A265-E269 PolarHBondContact O-N 3.17Å; A266-E269 PolarHBondContact O-N 3.45Å; E269-S271 PolarHBondContact O-N 2.93Å; E269-S271 VanDerWaalsContact O-N 3.16Å
270N52.2Low63.3Low131 Ų13198.5 Ų98.570%0.70162%0.62SS**THydrogen-bonded Turntrans-72.44.9170.8-64.9140.5000114.6A266 T268 P272A266-N270 PolarHBondContact O-N 3.19Å; A266-N270 PolarHBondContact O-OD1 3.13Å; T268-N270 PolarHBondContact O-N 3.02Å; N270-P272 WeakPolarHBondContact O-CD 3.06Å
271S41.2Very low61.1Low91 Ų91103.2 Ų103.264%0.63664%0.643SS**  trans-10595.5176.6-169.60000112.6T268 E269 G273T268-S271 PolarHBondContact O-N 3.02Å; E269-S271 PolarHBondContact O-N 2.93Å; E269-S271 VanDerWaalsContact O-N 3.16Å; S271-G273 PolarHBondContact O-N 2.73Å
272P43.7Very low59.1Low122 Ų122108.3 Ų108.379%0.79266%0.659SS**  trans-75.970.3177.732-36.4000111.7N270 S274N270-P272 WeakPolarHBondContact O-CD 3.06Å; P272-S274 VanDerWaalsContact C-N 3.27Å; P272-S274 PolarHBondContact O-N 3.47Å
273G39.1Very low57.3Low63 Ų63112.6 Ų112.665%0.64967%0.673SS**  trans-6870.6-178.700000114.4S271 S275S271-G273 PolarHBondContact O-N 2.73Å; G273-S275 PolarHBondContact O-N 2.83Å
274S44Very low55.8Low101 Ų101118 Ų11871%0.70669%0.694SS**  trans-51.899.6-179.2164.60000113.3P272 N276P272-S274 VanDerWaalsContact C-N 3.27Å; P272-S274 PolarHBondContact O-N 3.47Å; S274-N276 PolarHBondContact O-N 3.02Å
275S41.6Very low53.7Low111 Ų111122.4 Ų122.478%0.77671%0.712SS**  trans-73.9113.9173.2-68.70000111.7G273G273-S275 PolarHBondContact O-N 2.83Å
276N48.5Very low51.5Low149 Ų149123.5 Ų123.580%0.79773%0.728SS**  trans-148.4104.6167.3-97.7-47.8000110.9S274S274-N276 PolarHBondContact O-N 3.02Å
277P42.1Very low49.7Very low128 Ų128129.3 Ų129.383%0.83175%0.751SS**  trans-96.6111.2-179.333.9-30000112.7
278S43.4Very low48.7Very low106 Ų106129 Ų12974%0.74176%0.756SS**  trans-165102.9170.6-162.70000109.4
279V47.7Very low47.3Very low123 Ų123129.8 Ų129.875%0.74577%0.766SS**  82.8113.392.6163.80000113.9
280V51.2Low47.3Very low122 Ų122127.4 Ų127.474%0.73977%0.765SS**  trans65.6135.6149.8173.90000115.7
281D46.9Very low47.4Very low132 Ų132126.8 Ų126.871%0.70677%0.768SS**  cis-142146.427.6-130.8161.1000108.4
282E50.6Low47.9Very low183 Ų183131.2 Ų131.286%0.85578%0.783SS**  17.7122.8100.2-48-16215500113.5
283E54.2Low48Very low180 Ų180132 Ų13284%0.84178%0.781SS**  cis-147-17628.754.1-163.717300108.9
284E57.2Low48.7Very low165 Ų165138 Ų13877%0.77179%0.792SS**  cis-149-156.113.2-169.1164.4-145.700109.9
285E45.2Very low49.1Very low180 Ų180135.5 Ų135.584%0.84178%0.782SS**  trans-41.4154.9178.7-70.9-176.914500121.7
286G41.8Very low49.4Very low70 Ų70134.3 Ų134.372%0.72278%0.779SS**  111.779.3128.200000119P288G286-P288 VanDerWaalsContact O-CD 3.32Å; G286-P288 WeakPolarHBondContact O-CD 3.44Å
287L45Very low49.4Very low173 Ų173136.2 Ų136.291%0.90678%0.78SS**  trans-86.5122.6165.2-70.3177000112.4
288P58.4Low50Low112 Ų112138.6 Ų138.673%0.72778%0.778SS**  trans-98.1110.5155.833.7-26.6000110G286 P290G286-P288 VanDerWaalsContact O-CD 3.32Å; G286-P288 WeakPolarHBondContact O-CD 3.44Å; P288-P290 VanDerWaalsContact O-CD 3.31Å; P288-P290 WeakPolarHBondContact O-CD 3.47Å
289S41.2Very low50.2Low116 Ų116137.8 Ų137.881%0.81178%0.777SS**PPolyproline II helixtrans-63.8122.4178.4-55.60000112
290P57.7Low50.1Low117 Ų117137.3 Ų137.376%0.7678%0.775SS**PPolyproline II helixtrans-67.5158171.7-1933.9000112P288P288-P290 VanDerWaalsContact O-CD 3.31Å; P288-P290 WeakPolarHBondContact O-CD 3.47Å
291P54Low49.7Very low118 Ų118139.2 Ų139.277%0.76678%0.776SS**PPolyproline II helixtrans-74.9153.7-169.630.5-36000113.9D293P291-D293 PolarHBondContact O-N 3.42Å
292L52.9Low49.4Very low185 Ų185139.6 Ų139.697%0.96978%0.783SS**PPolyproline II helixtrans-69.3119.4161-67.2161.6000108.5
293D45.3Very low49.1Very low138 Ų138135.9 Ų135.974%0.73877%0.773SS**  trans-127.8148.9171.7-165.14.1000109.8P291 G295P291-D293 PolarHBondContact O-N 3.42Å; D293-G295 PolarHBondContact O-N 2.8Å
294E53.5Low48.8Very low190 Ų190131.6 Ų131.689%0.88876%0.763SS**THydrogen-bonded Turntrans-81.333-160.1-59-175.1148.900113.6
295G51.8Low48.8Very low47 Ų47130.2 Ų130.249%0.48576%0.76SS.*THydrogen-bonded Turntrans-117.9-20.4-178.300000115.9D293 F297 F298D293-G295 PolarHBondContact O-N 2.8Å; G295-F297 PolarHBondContact O-N 2.81Å; G295-F298 PolarHBondContact O-N 3.07Å
296A49.2Very low49.3Very low87 Ų87126.8 Ų126.872%0.71974%0.743SS**THydrogen-bonded Turntrans-68.7-5.7-170.400000115.5
297F48.2Very low50.1Low188 Ų188125 Ų12583%0.82572%0.718SS**THydrogen-bonded Turntrans-91.7-5.1-177.4-110.4-89.1000115.2G295G295-F297 PolarHBondContact O-N 2.81Å
298F53.6Low50.9Low179 Ų179119.1 Ų119.179%0.78569%0.69SS**SBendtrans-106.6-3.6-175.9-66.6-77.4000114.6G295 T300G295-F298 PolarHBondContact O-N 3.07Å; F298-T300 VanDerWaalsContact C-N 3.35Å; F298-T300 PolarHBondContact O-N 2.81Å
299A49.3Very low51.2Low88 Ų88119.1 Ų119.173%0.72768%0.681SS**SBendtrans-852-17500000115
300T44Very low52.2Low113 Ų113117.5 Ų117.569%0.69366%0.659SS**  trans-115.546.8-16861.90000113.5F298F298-T300 VanDerWaalsContact C-N 3.35Å; F298-T300 PolarHBondContact O-N 2.81Å
301Q44.8Very low52.5Low162 Ų162115.1 Ų115.176%0.75764%0.637SS**  trans-135.952.7172.3-68.8-165.239.100112.9T303Q301-T303 HydrophobicContact CB-CG2 4.45Å; Q301-T303 PolarHBondContact O-N 3.1Å
302T39.9Very low53.2Low140 Ų140115.6 Ų115.686%0.85963%0.633SS**  trans-70.979.814838.70000108.3S304T302-S304 VanDerWaalsContact C-N 3.28Å; T302-S304 PolarHBondContact O-N 3.05Å
303T44.7Very low53.6Low105 Ų105110.6 Ų110.664%0.64461%0.605SS**  trans-69.684.9177.740.50000110.5Q301 I305Q301-T303 HydrophobicContact CB-CG2 4.45Å; Q301-T303 PolarHBondContact O-N 3.1Å; T303-I305 PolarHBondContact O-N 3.17Å
304S47.6Very low54.5Low91 Ų91106.5 Ų106.564%0.63658%0.582SS**  trans-53.2106.415955.70000107.8T302 Q306T302-S304 VanDerWaalsContact C-N 3.28Å; T302-S304 PolarHBondContact O-N 3.05Å; S304-Q306 VanDerWaalsContact C-N 3.25Å; S304-Q306 PolarHBondContact O-N 3.2Å
305I56.1Low55.4Low135 Ų135100.1 Ų100.169%0.69255%0.554SS**  trans-71.589.1178.8-45.7173.8000106.7T303 L307T303-I305 PolarHBondContact O-N 3.17Å; I305-L307 PolarHBondContact O-N 3.22Å
306Q56.4Low56.3Low108 Ų108104.7 Ų104.751%0.50556%0.563SS.*  trans-65.1105.4-179.7-70.3-174.610000108.1S304 S308 E309 F310S304-Q306 VanDerWaalsContact C-N 3.25Å; S304-Q306 PolarHBondContact O-N 3.2Å; Q306-S308 PolarHBondContact O-N 2.73Å; Q306-S308 VanDerWaalsContact O-N 3.16Å; Q306-E309 HydrophobicContact CB-CB 3.67Å; Q306-E309 PolarHBondContact NE2-OE2 3.09Å; Q306-E309 WeakPolarHBondContact O-CA 3.4Å; Q306-E309 WeakPolarHBondContact O-CB 3.25Å; Q306-E309 PolarHBondContact O-N 2.97Å; Q306-F310 PolarHBondContact O-N 3Å
307L59.2Low57.3Low34 Ų34107 Ų10718%0.17856%0.563CS.*THydrogen-bonded Turntrans-62.7-22.5179.3-65.5177.6000111.8V218 V256 W259 I305 F311V218-L307 HydrophobicContact CG1-CD1 4.09Å; V256-L307 HydrophobicContact CG1-CB 3.46Å; V256-L307 VanDerWaalsContact CG1-CB 3.46Å; V256-L307 HydrophobicContact CG1-CD1 3.94Å; V256-L307 HydrophobicContact CG1-CG 4.36Å; W259-L307 HydrophobicContact CE3-CD1 4.09Å; W259-L307 HydrophobicContact CZ3-CD1 3.79Å; I305-L307 PolarHBondContact O-N 3.22Å; L307-F311 WeakPolarHBondContact O-CD2 3.27Å
308S60.7Low58.1Low48 Ų4899.9 Ų99.934%0.33654%0.542SS..THydrogen-bonded Turntrans-69.9-37.4170.1-38.70000112.3D257 Q306 F311D257-S308 PolarHBondContact OD1-OG 2.68Å; D257-S308 VanDerWaalsContact OD1-OG 3.09Å; Q306-S308 PolarHBondContact O-N 2.73Å; Q306-S308 VanDerWaalsContact O-N 3.16Å; S308-F311 PolarHBondContact O-N 3.4Å
309E64.6Low58.6Low113 Ų11396.3 Ų96.353%0.52853%0.531SS..Hα-helixtrans-68.5-35.5177.3-172.3168-157.100111.8Q306 F311 D312 E313Q306-E309 HydrophobicContact CB-CB 3.67Å; Q306-E309 PolarHBondContact NE2-OE2 3.09Å; Q306-E309 WeakPolarHBondContact O-CA 3.4Å; Q306-E309 WeakPolarHBondContact O-CB 3.25Å; Q306-E309 PolarHBondContact O-N 2.97Å; E309-F311 PolarHBondContact O-N 3.28Å; E309-F311 VanDerWaalsContact O-N 3.1Å; E309-D312 PolarHBondContact O-N 3.33Å; E309-E313 PolarHBondContact O-N 3Å
310F63.1Low59.3Low81 Ų8195.4 Ų95.436%0.35551%0.514SS..Hα-helixtrans-55.6-25.8173.9176-93000114.1Q306Q306-F310 PolarHBondContact O-N 3Å
311F64Low60.1Low67 Ų6797.2 Ų97.229%0.29451%0.508SS..Hα-helixtrans-95.7-13.9176.9-69.7-70.4000114.5L307 S308 E309L307-F311 WeakPolarHBondContact O-CD2 3.27Å; S308-F311 PolarHBondContact O-N 3.4Å; E309-F311 PolarHBondContact O-N 3.28Å; E309-F311 VanDerWaalsContact O-N 3.1Å
312D67.5Low60.3Low129 Ų12997 Ų9769%0.6951%0.507SS*.Hα-helixtrans-106.7-17.6-176-81.818.6000113K253 E309 M314K253-D312 IonicContact NZ-OD1 2.68Å; E309-D312 PolarHBondContact O-N 3.33Å; D312-M314 PolarHBondContact O-N 3.23Å
313E61.7Low60.7Low80 Ų8094.7 Ų94.737%0.37450%0.496SS..SBendtrans-71.9-19168.1-157.5-160.1155.300112.6E309 R321E309-E313 PolarHBondContact O-N 3Å; E313-R321 WeakPolarHBondContact O-CB 3.24Å; E313-R321 WeakPolarHBondContact O-CG 3.44Å; E313-R321 PolarHBondContact O-N 2.89Å
314M63.6Low60.6Low52 Ų5297.7 Ų97.726%0.25651%0.509SS..BIsolated β-bridgetrans-82.2123.1-176.2-175.4167.6-73.500111.7N231 D312N231-M314 PolarHBondContact ND2-SD 3.09Å; D312-M314 PolarHBondContact O-N 3.23Å
315D73.7Confident60.5Low56 Ų5699.5 Ų99.530%0.29951%0.511SS..  trans-73.2176.3175.768.826.1000113.5D317 G318 N319 R321D315-D317 PolarHBondContact O-N 3.12Å; D315-D317 VanDerWaalsContact O-N 3.09Å; D315-D317 WeakPolarHBondContact OD1-CA 3.33Å; D315-D317 PolarHBondContact OD1-N 3.33Å; D315-G318 PolarHBondContact O-N 3.48Å; D315-G318 VanDerWaalsContact O-N 3.09Å; D315-G318 PolarHBondContact OD1-N 3.38Å; D315-N319 PolarHBondContact N-O 3.09Å; D315-N319 VanDerWaalsContact N-O 3.12Å; D315-N319 PolarHBondContact OD1-N 2.69Å; D315-N319 WeakPolarHBondContact OD2-CB 3.35Å; D315-R321 HydrophobicContact CB-CG 4.06Å
316E69.7Low59.8Low142 Ų14299.5 Ų99.566%0.66452%0.52SS*.THydrogen-bonded Turntrans-65-14.4-176.4-146.6-168159.400113.5K235K235-E316 WeakPolarHBondContact CE-O 3.19Å; K235-E316 PolarHBondContact NZ-O 3.5Å
317D70.6Confident59.2Low137 Ų13797.9 Ų97.973%0.73352%0.521SS*.THydrogen-bonded Turntrans-102.7-0.1178.2-71.5-50.5000113.4K235 D315K235-D317 IonicContact NZ-OD1 3.48Å; K235-D317 PolarHBondContact NZ-OD1 3.02Å; D315-D317 PolarHBondContact O-N 3.12Å; D315-D317 VanDerWaalsContact O-N 3.09Å; D315-D317 WeakPolarHBondContact OD1-CA 3.33Å; D315-D317 PolarHBondContact OD1-N 3.33Å
318G64.8Low58.7Low37 Ų37104.2 Ų104.238%0.38155%0.554SS.*SBendtrans8912.8175.900000114.2D315D315-G318 PolarHBondContact O-N 3.48Å; D315-G318 VanDerWaalsContact O-N 3.09Å; D315-G318 PolarHBondContact OD1-N 3.38Å
319N65.1Low57.8Low104 Ų104105.2 Ų105.256%0.55657%0.571SS**  trans-88.7141.3179.3-150.993.4000110.5D315D315-N319 PolarHBondContact N-O 3.09Å; D315-N319 VanDerWaalsContact N-O 3.12Å; D315-N319 PolarHBondContact OD1-N 2.69Å; D315-N319 WeakPolarHBondContact OD2-CB 3.35Å
320L63.5Low56.7Low70 Ų70107.2 Ų107.237%0.36659%0.586SS.*BIsolated β-bridgetrans-72128.4171.8-67.5173.8000109.2H322L320-H322 VanDerWaalsContact C-N 3.31Å; L320-H322 PolarHBondContact O-N 3.18Å
321R60.1Low56.1Low151 Ų151112.7 Ų112.757%0.5761%0.61SS**  trans-85.374.3179.4-64.2-173.174.4-121.5-4.8110.5E313 D315 S323E313-R321 WeakPolarHBondContact O-CB 3.24Å; E313-R321 WeakPolarHBondContact O-CG 3.44Å; E313-R321 PolarHBondContact O-N 2.89Å; D315-R321 HydrophobicContact CB-CG 4.06Å; R321-S323 PolarHBondContact O-N 3.19Å; R321-S323 PolarHBondContact O-OG 2.98Å
322H49.5Very low55.1Low157 Ų157121.1 Ų121.173%0.72764%0.639SS**  trans-59.475.8175.3-64.3-40.8000113.4L320L320-H322 VanDerWaalsContact C-N 3.31Å; L320-H322 PolarHBondContact O-N 3.18Å
323S48.1Very low53.7Low91 Ų91118.7 Ų118.764%0.63665%0.645SS**  trans-104.148.7-177.5600000113.1R321 D325R321-S323 PolarHBondContact O-N 3.19Å; R321-S323 PolarHBondContact O-OG 2.98Å; S323-D325 VanDerWaalsContact C-N 3.25Å; S323-D325 PolarHBondContact O-N 2.92Å
324N43.7Very low53Low169 Ų169122 Ų12290%0.90467%0.665SS**  trans-84.266.9164.6-80.6-29000110.3
325D45.2Very low52.1Low128 Ų128126.4 Ų126.468%0.68469%0.69SS**  trans-122.891.6169.6-1746.5000110.7S323 S327S323-D325 VanDerWaalsContact C-N 3.25Å; S323-D325 PolarHBondContact O-N 2.92Å; D325-S327 PolarHBondContact O-N 3.35Å; D325-S327 WeakPolarHBondContact OD1-CB 3.49Å
326P41.9Very low50.4Low135 Ų135127.9 Ų127.988%0.87772%0.718SS**  trans-81.460179.634.4-35.3000111.7
327S43.5Very low48.9Very low75 Ų75124.8 Ų124.852%0.52473%0.725SS.*  trans-129.8115.4-172-163.70000114.8D325D325-S327 PolarHBondContact O-N 3.35Å; D325-S327 WeakPolarHBondContact OD1-CB 3.49Å
328L48.7Very low47.2Very low166 Ų166130.1 Ų130.187%0.86974%0.735SS**  trans6366.6153.1-56.8177.4000119.9
329G41.6Very low46.1Very low69 Ų69136.4 Ų136.471%0.71176%0.759SS**  42.3125.2115.300000122.8
330N41.3Very low44.9Very low155 Ų155135.6 Ų135.683%0.82977%0.766SS**  trans62.9101.8145.4-69.2-21.2000119.9
331K51Low43.6Very low197 Ų197137.9 Ų137.986%0.85779%0.788SS**  -176.1118.9100.6-95.8151.8-170.7169.70115.4
332R41.5Very low42.8Very low243 Ų243140 Ų14092%0.91780%0.804SS**  40.794125.4-132.8177.6-166.3-862.5117.2
333G39.6Very low42.2Very low79 Ų79137.2 Ų137.281%0.81480%0.802SS**  trans-79.1-176171.700000114.6
334N46Very low42Very low149 Ų149139.2 Ų139.280%0.79781%0.811SS**  trans-148.2143.5165.1-172.437.6000112.7
335N45.9Very low41.9Very low145 Ų145137.6 Ų137.678%0.77581%0.807SS**  trans-29.4145.5179.6-60.4-27.1000119.5
336G37.1Very low41.6Very low86 Ų86135.7 Ų135.789%0.88781%0.809SS**  trans-64.6170.517600000117.1
337G37.4Very low41.4Very low78 Ų78140 Ų14080%0.80481%0.808SS**  trans-166.3106.6175.800000110.9
338R35Very low41.5Very low249 Ų249145.5 Ų145.594%0.9483%0.825SS**  trans-71.1144164.4-84.1-179.6162.3-154.4-1.7109.4
339L41.5Very low41.2Very low169 Ų169145.2 Ų145.289%0.88582%0.824SS**  trans171.4109.3137.2-91.2166000106.1
340A40.9Very low41.8Very low87 Ų87147.1 Ų147.172%0.71982%0.824SS**  92.112182.400000112.4
341S36.7Very low42Very low118 Ų118145 Ų14583%0.82582%0.819SS**  trans-74.9138.8-169.4-42.40000113.2
342H42.8Very low41.5Very low194 Ų194145.9 Ų145.990%0.89882%0.817SS**  trans-139.3136.1153.9-98.1-85.1000111.2
343S37.6Very low41.5Very low99 Ų99138.5 Ų138.569%0.69280%0.803SS**  trans-89.8143173176.40000110
344T43.4Very low41.8Very low134 Ų134143.1 Ų143.182%0.82280%0.797SS**  -175.6130.4116.133.80000113.4
345V41.2Very low42Very low134 Ų134142 Ų14281%0.81280%0.798SS**  trans-6.8127.7145.8-173.60000117.8
346A40Very low42Very low89 Ų89138.3 Ų138.374%0.73679%0.794SS**  176.7113.5122.200000116.5
347R36.9Very low42.5Very low226 Ų226140.3 Ų140.385%0.85379%0.789SS**  trans23.6122.8138.7-35.9178.178.8-178.56.3120.3
348Q44.7Very low42.9Very low189 Ų189142.9 Ų142.988%0.88379%0.789SS**  178.6165.1100.4-94.2-179.959.100112.6
349D43.6Very low43.6Very low160 Ų160139.8 Ų139.886%0.85679%0.785SS**  trans-101.5163.2-163.5-86.1-73.5000115.4
350P54Low43.4Very low109 Ų109142.9 Ų142.971%0.70879%0.785SS**  trans-88-177.7-172.437.9-39000114.1
351P44.3Very low43.9Very low112 Ų112145.7 Ų145.773%0.72779%0.793SS**  -155.4157.4112.638.3-20.9000118.6
352R42.4Very low44.1Very low215 Ų215148 Ų14881%0.81179%0.79SS**  trans64.6165.7149.6-73.8177.1169.8-179.5-3.9119.7
353S40.2Very low44.4Very low88 Ų88143.4 Ų143.462%0.61578%0.778SS**  cis179.2164.4-35-168.40000110.4
354Y45.1Very low44.9Very low176 Ų176149.3 Ų149.369%0.6979%0.785SS**  trans133.8148.8139.1-67.3-59.6000116.1
355P50.7Low44.5Very low125 Ų125153.1 Ų153.181%0.81278%0.784SS**  trans-142.7-172.4-139.942.7-21.6000116.8
356G46.6Very low44.6Very low68 Ų68154.1 Ų154.170%0.70178%0.784SS**  trans145.3155.9165.300000113.1
357V47.7Very low44.3Very low128 Ų128157.4 Ų157.478%0.77678%0.784SS**  cis-155129.22.21760000110
358V45.3Very low44.8Very low132 Ų132154.2 Ų154.280%0.878%0.783SS**  trans50.9163164.9-52.90000119.2
359E49.1Very low44.6Very low184 Ų184149.4 Ų149.486%0.8678%0.776SS**  cis-138.6-176.916.6-153.2171.513400113.5
360R38.8Very low44.3Very low233 Ų233153 Ų15388%0.87978%0.777SS**  trans-134.4142.1-167-81.5-177.6159.8-151.4-1114.7
361V51.5Low43.7Very low147 Ų147156.4 Ų156.489%0.89178%0.784SS**  trans-141.5146.3139-173.80000110.1
362Q40.2Very low43.4Very low165 Ų165158.2 Ų158.277%0.77178%0.783SS**  trans-166.2158.5179.8-97.1-97.410.500105.6
363P48.8Very low43.8Very low98 Ų98153.7 Ų153.764%0.63678%0.781SS**  -161.7-178.663.145.5-23.5000120
364R47.5Very low44.2Very low223 Ų223154.3 Ų154.384%0.84278%0.783SS**  trans76.2124.8161.8-60.3173.8-178.4162.80.9116.1
365R35.6Very low44.6Very low215 Ų215154 Ų15481%0.81179%0.789SS**  cis78.6117.417.2-162.8-173.6-175.5-178.74.3117.7
366L44.4Very low44.3Very low155 Ų155157.8 Ų157.881%0.81279%0.788SS**  trans-153.8134.8145-124.9168000110.3
367E33.5Very low44.4Very low157 Ų157162.1 Ų162.173%0.73479%0.79SS**  trans-147.5137.8172.6-87.7-173.2120.600109.4
368L46.7Very low44.2Very low160 Ų160160.7 Ų160.784%0.83879%0.791SS**  trans-149.3130167.3-68.8169.2000105.7
369A39.9Very low43.9Very low87 Ų87160.5 Ų160.572%0.71979%0.786SS**  cis118.9121.316.400000110.2
370R38.1Very low43.6Very low236 Ų236156.9 Ų156.989%0.89178%0.778SS**  trans72.5153.8178.9-65.9175.1164.2158.2-6.1114.8
371Q42.5Very low43.8Very low180 Ų180153.4 Ų153.484%0.84177%0.772SS**  cis-152.1163.813-136.6159.5137.600111.7
372E37.4Very low43.2Very low151 Ų151151.8 Ų151.871%0.70676%0.763SS**  trans-120.2159.1172.3-159.1-152.9171.200109.8
373P50.4Low43.2Very low120 Ų120150.6 Ų150.678%0.77976%0.761SS**  -152.7150.1125.237.5-21.2000117.3
374P48Very low42.9Very low100 Ų100154 Ų15465%0.64977%0.768SS**  trans-115.7150.5161.736.6-26.1000114.2
375M54.8Low42.4Very low169 Ų169148.7 Ų148.783%0.83377%0.765SS**  trans-133.9127.4172.1-72.7-172.466.300109
376R43.2Very low42.7Very low206 Ų206144.5 Ų144.578%0.77777%0.769SS**  58.3135.487-76.5-169.2173.3-163.80.6113.5
377Q48.6Very low42.3Very low158 Ų158142 Ų14274%0.73876%0.764SS**  cis-165.1172.918.7-138.6165.7-18.200113.4
378A43.3Very low42.9Very low98 Ų98141.1 Ų141.181%0.8176%0.764SS**  trans71.5148.3159.100000118.6
379N39.3Very low42.9Very low129 Ų129141.2 Ų141.269%0.6976%0.76SS**  cis-156.8144.7-12.9-179.262.1000110.8Q381N379-Q381 PolarHBondContact ND2-OE1 3.32Å
380P43.2Very low43.2Very low107 Ų107141.5 Ų141.570%0.69576%0.763SS**  trans-114152.3-178.639.5-31.5000116.2
381Q43.5Very low43.3Very low160 Ų160139.1 Ų139.175%0.74876%0.759SS**  trans-176.4153.7169.8-100.4137-3.500111N379N379-Q381 PolarHBondContact ND2-OE1 3.32Å
382T37.4Very low43.6Very low114 Ų114134.9 Ų134.970%0.69975%0.747SS**  cis-167.8149.7-25.112.90000112.3
383L40.7Very low43.8Very low139 Ų139136.7 Ų136.773%0.72876%0.755SS**  trans71.5134.1145.3-67.2166.8000124.7
384Q43Very low43.5Very low169 Ų169134.7 Ų134.779%0.7976%0.756SS**  trans80.3101.5134.2-74.3171.5-300124.1
385S37.5Very low43.2Very low112 Ų112134.3 Ų134.378%0.78376%0.761SS**  trans-2.7137.9133.5-41.90000121
386S41.6Very low42.8Very low128 Ų128134.1 Ų134.190%0.89576%0.763SS**  -165.7155.5118-84.90000113.6
387S36.7Very low43Very low101 Ų101131.4 Ų131.471%0.70676%0.764SS**  trans-95.4162.2169.5175.90000110
388L44.1Very low42.7Very low140 Ų140132.2 Ų132.273%0.73377%0.765SS**  165.4129.1119.1-84.3173.5000114.9
389Q48.5Very low43.1Very low161 Ų161136.7 Ų136.775%0.75277%0.769SS**  trans76.8160.5139.7-68.7-174.440.500123.9
390A44.4Very low43.4Very low94 Ų94135.4 Ų135.478%0.77777%0.77SS**  trans79.8136.6165.200000118.2
391K41.9Very low43.7Very low185 Ų185137.5 Ų137.580%0.80478%0.776SS**  cis-162.4149-21.8-155.372.6172.2-167.50107.6
392P48.4Very low43.6Very low92 Ų92137.2 Ų137.260%0.59778%0.779SS**  trans-106.7174.1-173.937.1-28.8000114.3
393H40.4Very low44.1Very low189 Ų189136.9 Ų136.988%0.87578%0.779SS**  156.1147.9127.6-80-61.1000113.6
394G45.2Very low44.3Very low77 Ų77134.9 Ų134.979%0.79478%0.777SS**  trans129.7141.8171.300000114.7
395A41.8Very low43.9Very low92 Ų92132.3 Ų132.376%0.7678%0.777SS**  -169.7150.5-82.300000110.2
396L46.8Very low44.3Very low165 Ų165137.1 Ų137.186%0.86478%0.78SS**  trans59.1113.9163.6-67.6161.4000119.6
397N46.7Very low44.4Very low150 Ų150139 Ų13980%0.80277%0.774SS**  -154.8166.9103.4-1598.1000111.3
398K43.3Very low44.9Very low175 Ų175140.1 Ų140.176%0.76178%0.782SS**  trans-147.8133.6178.3-65.9-179.1178.8-179.20112.3
399Q49.8Very low44.9Very low191 Ų191136.8 Ų136.889%0.89378%0.782SS**  trans178.8133149.5-94.9143.415.700106.6
400S47.4Very low44.7Very low102 Ų102135.9 Ų135.971%0.71379%0.79SS**  cis100.992.324-174.90000114.3
401N48.4Very low44.4Very low152 Ų152135.2 Ų135.281%0.81379%0.792SS**  trans-172.8109.1148.8-88.8-27.7000107.4
402N42.1Very low44.3Very low153 Ų153137 Ų13782%0.81879%0.794SS**  83148.978.9-105.114.4000115.2
403P48.1Very low44Very low107 Ų107138.6 Ų138.670%0.69580%0.804SS**  -142.2-158.1-12942.5-20.8000115.2
404S44.6Very low44Very low98 Ų98134.9 Ų134.969%0.68579%0.794SS**  trans70104.7153.5-165.30000117.6
405S33.7Very low43.8Very low115 Ų115140.8 Ų140.880%0.80480%0.798SS**  75.289.771.8-179.20000116
406Y47.2Very low43.7Very low213 Ų213140.7 Ų140.784%0.83580%0.797SS**  trans-170.6164.7146.870-85.5000105.4
407E42.9Very low43.1Very low167 Ų167137.3 Ų137.378%0.7879%0.794SS**  cis174.6164.4-17.9175172.9168.900104.2
408S47.9Very low43Very low125 Ų125138.5 Ų138.587%0.87479%0.794SS**  trans91.2139.1-175.6-40.40000115.5
409G43.5Very low42.8Very low70 Ų70138.1 Ų138.172%0.72280%0.795SS**  cis156.1121.7-8.700000113
410P44Very low42.3Very low142 Ų142140.3 Ų140.392%0.92280%0.795SS**  trans-90.1143178.234.2-32.9000112.8
411G39.4Very low42Very low80 Ų80140 Ų14083%0.82579%0.79SS**  trans-158.8133.6-178.900000116.6
412R39.5Very low41.4Very low223 Ų223142.4 Ų142.484%0.84279%0.794SS**  trans-81.5172.6162.5-125.1-171.1172.6-152.7-0.1109.1
413P42Very low41.3Very low125 Ų125138.2 Ų138.281%0.81279%0.788SS**  -151.9-160.551.842.8-19.7000116.3
414V39.3Very low40.9Very low110 Ų110139.9 Ų139.967%0.66779%0.79SS**  trans-99.9145.6-171.7-177.50000112.9
415K42.3Very low41.2Very low201 Ų201144.1 Ų144.187%0.87480%0.802SS**  trans-148164.9154.9-78.4-173.4-179.3176.10109.5
416A39Very low41.7Very low90 Ų90148.1 Ų148.174%0.74481%0.805SS**  cis169.5100-40.700000108.9
417A34.3Very low41.5Very low95 Ų95143.4 Ų143.479%0.78580%0.8SS**  trans21.3121159.800000122.4
418Q43.9Very low41.2Very low175 Ų175144.2 Ų144.282%0.81880%0.801SS**  trans178149.7138.8-97.9165.289.100107.8
419Q39.7Very low40.8Very low167 Ų167146.5 Ų146.578%0.7880%0.798SS**  cis-142.8176.110.9-109.3152.133.900111.8
420R39.3Very low40.3Very low237 Ų237148.9 Ų148.989%0.89480%0.799SS**  trans-148.5172.9173.6-93-161.8-170.5-1507.9107.1
421P41.5Very low39.7Very low94 Ų94151.4 Ų151.461%0.6179%0.79SS**  cis-130.4-124.3-30.837.9-17.4000110.2
422F35.1Very low39.7Very low203 Ų203156.1 Ų156.189%0.8979%0.79SS**  trans86133179.9-53.4-67.5000115.8
423G39.3Very low39.5Very low66 Ų66153.3 Ų153.368%0.6879%0.786SS**  cis-165.6170.5-2.700000114.1
424D41.2Very low39.3Very low141 Ų141153.5 Ų153.575%0.75479%0.785SS**  trans-69.2160.2-172.4-53.4-112.4000115.9
425M50.3Low39Very low188 Ų188152.8 Ų152.893%0.92679%0.791SS**  -156.1160.4118.7-96.3-47.2125.800112.4
426K44.8Very low39.1Very low198 Ų198151 Ų15186%0.86179%0.789SS**  trans-112.8173.8-164.7-106.7-164.1165.7176.20114.6
427P42Very low38.9Very low114 Ų114152.1 Ų152.174%0.7478%0.779SS**  trans-110.1178.9-155.442.9-38.9000116.2
428K37.1Very low39Very low185 Ų185157 Ų15780%0.80478%0.777SS**  trans-140.6136.6157.4-82.9175.9177.7171.50107.3
429Q39.4Very low38.6Very low173 Ų173157.6 Ų157.681%0.80878%0.777SS**  60.6116.264.2-156.3173.723.200109.8
430T33.6Very low38.3Very low120 Ų120155.4 Ų155.474%0.73678%0.777SS**  -145.7157.562.2-63.30000113.5E432T430-E432 HydrophobicContact CG2-CG 4.3Å
431R31.3Very low38.3Very low195 Ų195153.1 Ų153.174%0.73678%0.779SS**  trans-114.8129.3174163.6-173.4176-173.7-2108.7H433R431-H433 PolarHBondContact NE-CD2 3.03Å
432E37.7Very low38.1Very low179 Ų179152.1 Ų152.184%0.83678%0.779SS**  trans-128144166.9-68.9-164.3-170.600111.4T430T430-E432 HydrophobicContact CG2-CG 4.3Å
433H35.9Very low38.4Very low163 Ų163147.6 Ų147.676%0.75577%0.772SS**  trans-118.3128.5176.3-83.6-125.9000108.7R431R431-H433 PolarHBondContact NE-CD2 3.03Å
434V38.5Very low38.8Very low130 Ų130152.4 Ų152.479%0.78878%0.777SS**  trans-137.9122.5153.5-175.70000108.5I436V434-I436 HydrophobicContact CG1-CD1 4.43Å; V434-I436 HydrophobicContact CG1-CG1 4.08Å
435A33.4Very low38.9Very low95 Ų95151 Ų15179%0.78577%0.774SS**  trans-105.2135.7168.100000109
436I43.5Very low38.2Very low162 Ų162147.6 Ų147.683%0.83176%0.759SS**  trans-125108.1169.8-60.9-174.6000109.8V434V434-I436 HydrophobicContact CG1-CD1 4.43Å; V434-I436 HydrophobicContact CG1-CG1 4.08Å
437E34Very low38.2Very low114 Ų114145.8 Ų145.853%0.53375%0.751SS.*  trans-73.9136.9169.1-175.8-136.5138.500110
438R38.1Very low38.5Very low197 Ų197145.7 Ų145.774%0.74375%0.753SS**  168.8114.2122.5-89.3149.6-163.516014.7117.5
439K35.4Very low38.6Very low188 Ų188148.3 Ų148.382%0.81776%0.758SS**  trans47.2133.1130.7-85.7169.1175.2159.20122.2
440P32.8Very low38.7Very low122 Ų122145.3 Ų145.379%0.79275%0.754SS**  trans-94.4169.6172.539.5-36.3000114.4
441M40.3Very low38.9Very low188 Ų188143.1 Ų143.193%0.92676%0.755SS**  trans-141.7160.5161.4-71.4174.56600107.5
442A36.5Very low39.2Very low74 Ų74138.5 Ų138.561%0.61276%0.759SS**  cis179.9172.6-27.100000106.2
443S40.2Very low39.1Very low108 Ų108141.7 Ų141.776%0.75576%0.763SS**  trans71.9146.5173.4850000115.9
444Q47.7Very low39.4Very low166 Ų166139.9 Ų139.978%0.77677%0.766SS**  cis-159.6137.5-7.5-126165.431.100111.7
445T45.4Very low39.2Very low113 Ų113139.2 Ų139.269%0.69377%0.767SS**  trans47.5143.6138.155.10000121.5
446D35Very low39.5Very low116 Ų116139.7 Ų139.762%0.6277%0.771SS**  cis-170.6177.315.9-136.2-32.1000116.9
447K44.7Very low39.1Very low159 Ų159135.8 Ų135.869%0.69177%0.77SS**  trans78.4107.9144.9-75.4159.1-173.791.70122.9
448S47.5Very low39.1Very low112 Ų112135.3 Ų135.378%0.78379%0.786SS**  trans55.3122.1140.648.70000120.5
449R38.8Very low39.2Very low241 Ų241135.1 Ų135.191%0.90979%0.791SS**  cis80.2152.122.7-117.4-136143.6-154.4-3.1115
450P42.2Very low39.4Very low110 Ų110134 Ų13471%0.71479%0.793SS**  -144.2-172.8-114.343-21.3000117.1
451G37.7Very low39.8Very low73 Ų73136.1 Ų136.175%0.75379%0.792SS**  trans160.2160.4163.400000112.4
452A38.9Very low39.9Very low99 Ų99135.1 Ų135.182%0.81879%0.79SS**  cis-158.8162.1-14.400000109.7
453R35.2Very low40.2Very low245 Ų245136 Ų13693%0.92580%0.796SS**  trans-84.8152.3169.4-100.5-176.5168-170.4-4.3111.1
454P41Very low40.6Very low125 Ų125140.2 Ų140.281%0.81280%0.801SS**  -125-168.9126.536.6-29.9000112.4
455S35.8Very low40.3Very low117 Ų117138.5 Ų138.582%0.81881%0.805SS**  trans-134.1172-167-168.50000112.6
456A38Very low40.5Very low104 Ų104142.3 Ų142.386%0.8681%0.812SS**  trans70.3145.9169.600000118.1
457G35.3Very low41.1Very low80 Ų80143.6 Ų143.683%0.82582%0.824SS**  trans146.386.5176.300000113
458A35Very low41.4Very low105 Ų105146.3 Ų146.387%0.86883%0.831SS**  trans-68.7145-175.700000114.2
459K40.2Very low41.8Very low192 Ų192146.4 Ų146.484%0.83582%0.823SS**  -154.8135.3126.3-133.1178.4-179.6-172.30113.5
460L38.7Very low42.8Very low164 Ų164139 Ų13986%0.85980%0.801SS**  trans-88.5128.3165.1-176.878.5000107.6
461E42.6Very low43.7Very low167 Ų167136.5 Ų136.578%0.7880%0.795SS**  trans-152.2153.2171.7-101.3-60.9126.800109.3
462L41.3Very low45.1Very low168 Ų168138 Ų13888%0.8879%0.785SS**  trans-119.7109.2-157.5175.567000112.6
463A43.3Very low46.9Very low91 Ų91136.9 Ų136.975%0.75277%0.766SS**  trans-148.198.9178.800000115.5
464K48Very low48.8Very low197 Ų197128.7 Ų128.786%0.85774%0.74SS**  trans47.4123.3143-56.3178.6-177.2179.90119.5K466K464-K466 PolarHBondContact O-N 3.02Å
465P42.3Very low50.7Low131 Ų131126.3 Ų126.385%0.85172%0.721SS**PPolyproline II helixtrans-68.5132.617030.4-33.6000111.1
466K48.7Very low53Low193 Ų193128.1 Ų128.184%0.83971%0.71SS**PPolyproline II helixtrans-79.1130.8160.7-81-174.7170.9-1740109K464K464-K466 PolarHBondContact O-N 3.02Å
467V47.8Very low55.3Low143 Ų143128.6 Ų128.687%0.86769%0.692SS**PPolyproline II helixtrans-68.6143162-179.60000107.9
468Y51Low57.8Low215 Ų215130.4 Ų130.484%0.84368%0.683SS**PPolyproline II helixtrans-87.3131.2-175.1-75-105.4000111.2
469D55.6Low60.2Low115 Ų115130.8 Ų130.862%0.61567%0.666SS**  trans-99.87.3177.6-164.328.9000112.3G471 L472D469-G471 PolarHBondContact O-N 3.06Å; D469-L472 PolarHBondContact O-N 3Å
470D60.8Low62.5Low86 Ų86124 Ų12446%0.4665%0.646SS.*Hα-helixtrans-62.6-20.2-166.3-163.261.7000114N474D470-N474 WeakPolarHBondContact O-CB 3.33Å; D470-N474 PolarHBondContact O-N 3.46Å; D470-N474 PolarHBondContact O-ND2 3.45Å; D470-N474 VanDerWaalsContact O-ND2 3.11Å; D470-N474 PolarHBondContact OD2-ND2 3.04Å
471G60.4Low65Low57 Ų57118.9 Ų118.959%0.58863%0.628SS**Hα-helixtrans-62-41.8176.300000113.7D469 N474 N475D469-G471 PolarHBondContact O-N 3.06Å; G471-N474 PolarHBondContact O-N 3.08Å; G471-N475 PolarHBondContact O-N 2.75Å; G471-N475 VanDerWaalsContact O-N 3.08Å
472L67Low67.2Low103 Ų103118.3 Ų118.354%0.53962%0.622SS.*Hα-helixtrans-70.8-40.5-178.6-69.6-179.4000111.9D469 N474 N475 R476D469-L472 PolarHBondContact O-N 3Å; L472-N474 VanDerWaalsContact C-N 3.34Å; L472-N475 PolarHBondContact O-N 3.11Å; L472-R476 WeakPolarHBondContact O-CG 3.33Å; L472-R476 PolarHBondContact O-N 2.76Å
473D75.8Confident69.6Low77 Ų77119.4 Ų119.441%0.41262%0.615SS.*Hα-helixtrans-68.9-32.8176.8-89.1-5.4000112R476 K477D473-R476 IonicContact OD1-NH1 2.8Å; D473-K477 WeakPolarHBondContact O-CD 3.33Å; D473-K477 VanDerWaalsContact O-CE 3.24Å; D473-K477 WeakPolarHBondContact O-CE 3.48Å; D473-K477 WeakPolarHBondContact O-CG 3.46Å; D473-K477 PolarHBondContact O-N 2.78Å
474N75.4Confident71.8Confident72 Ų72123.5 Ų123.539%0.38561%0.611SS.*Hα-helixtrans-71.4-38.9175-68.8-25.1000112.5D470 G471 L472 K477 L478D470-N474 WeakPolarHBondContact O-CB 3.33Å; D470-N474 PolarHBondContact O-N 3.46Å; D470-N474 PolarHBondContact O-ND2 3.45Å; D470-N474 VanDerWaalsContact O-ND2 3.11Å; D470-N474 PolarHBondContact OD2-ND2 3.04Å; G471-N474 PolarHBondContact O-N 3.08Å; L472-N474 VanDerWaalsContact C-N 3.34Å; N474-K477 PolarHBondContact O-N 2.69Å; N474-K477 PolarHBondContact OD1-NZ 2.74Å; N474-L478 PolarHBondContact O-N 3.21Å
475N82.5Confident73.8Confident76 Ų76119 Ų11941%0.40660%0.596SS.*Hα-helixtrans-64.5-42.6172.5-172.666.8000112.1G471 L472 K477 L478 E479G471-N475 PolarHBondContact O-N 2.75Å; G471-N475 VanDerWaalsContact O-N 3.08Å; L472-N475 PolarHBondContact O-N 3.11Å; N475-K477 VanDerWaalsContact C-N 3.31Å; N475-K477 PolarHBondContact O-N 3.1Å; N475-L478 WeakPolarHBondContact O-CA 3.15Å; N475-L478 WeakPolarHBondContact O-CB 3.24Å; N475-L478 PolarHBondContact O-N 2.95Å; N475-E479 PolarHBondContact ND2-OE1 3.36Å; N475-E479 PolarHBondContact O-N 3.29Å
476R83.7Confident76.2Confident155 Ų155119.2 Ų119.259%0.58559%0.585SS**Hα-helixtrans-59.7-38.2174.2-74.7171.1174.1160-0.6113L472 D473 A480L472-R476 WeakPolarHBondContact O-CG 3.33Å; L472-R476 PolarHBondContact O-N 2.76Å; D473-R476 IonicContact OD1-NH1 2.8Å; R476-A480 VanDerWaalsContact O-CB 3.29Å; R476-A480 WeakPolarHBondContact O-CB 3.41Å; R476-A480 PolarHBondContact O-N 3.16Å
477K85.7Confident78.1Confident113 Ų113115.2 Ų115.249%0.49157%0.57SS.*Hα-helixtrans-64.7-40173.1-69.3160.3-149.3159.40111.3D473 N474 N475 A481D473-K477 WeakPolarHBondContact O-CD 3.33Å; D473-K477 VanDerWaalsContact O-CE 3.24Å; D473-K477 WeakPolarHBondContact O-CE 3.48Å; D473-K477 WeakPolarHBondContact O-CG 3.46Å; D473-K477 PolarHBondContact O-N 2.78Å; N474-K477 PolarHBondContact O-N 2.69Å; N474-K477 PolarHBondContact OD1-NZ 2.74Å; N475-K477 VanDerWaalsContact C-N 3.31Å; N475-K477 PolarHBondContact O-N 3.1Å; K477-A481 WeakPolarHBondContact O-CB 3.47Å; K477-A481 PolarHBondContact O-N 2.95Å
478L88.7Confident80Confident119 Ų119115.9 Ų115.962%0.62356%0.557SS**Hα-helixtrans-63.8-48.9177.4-168.780.6000111.7N474 N475 A480 A481 K482N474-L478 PolarHBondContact O-N 3.21Å; N475-L478 WeakPolarHBondContact O-CA 3.15Å; N475-L478 WeakPolarHBondContact O-CB 3.24Å; N475-L478 PolarHBondContact O-N 2.95Å; L478-A480 PolarHBondContact O-N 3.45Å; L478-A481 WeakPolarHBondContact O-CB 3.29Å; L478-A481 PolarHBondContact O-N 3.23Å; L478-A481 VanDerWaalsContact O-N 3.16Å; L478-K482 PolarHBondContact O-N 2.96Å
479E83.4Confident81.9Confident112 Ų112113.3 Ų113.352%0.52355%0.546SS..Hα-helixtrans-61.6-42.2176.9-71.8172.1-175.500111.9N475 A481 K482 R483N475-E479 PolarHBondContact ND2-OE1 3.36Å; N475-E479 PolarHBondContact O-N 3.29Å; E479-A481 VanDerWaalsContact C-N 3.32Å; E479-A481 PolarHBondContact O-N 3.12Å; E479-K482 PolarHBondContact O-N 3.38Å; E479-R483 WeakPolarHBondContact O-CB 3.31Å; E479-R483 PolarHBondContact O-N 3.49Å
480A89Confident83.5Confident49 Ų49112.3 Ų112.341%0.40554%0.538SS..Hα-helixtrans-64.4-34.5174.600000112.8R476 L478 R484R476-A480 VanDerWaalsContact O-CB 3.29Å; R476-A480 WeakPolarHBondContact O-CB 3.41Å; R476-A480 PolarHBondContact O-N 3.16Å; L478-A480 PolarHBondContact O-N 3.45Å; A480-R484 WeakPolarHBondContact O-CB 3.48Å; A480-R484 WeakPolarHBondContact O-CG 3.49Å; A480-R484 PolarHBondContact O-N 3.17Å
481A91Very high84.7Confident58 Ų58112.4 Ų112.448%0.47954%0.536SS..Hα-helixtrans-70-45.3173.700000111.8K477 L478 E479 R483 R484 L485K477-A481 WeakPolarHBondContact O-CB 3.47Å; K477-A481 PolarHBondContact O-N 2.95Å; L478-A481 WeakPolarHBondContact O-CB 3.29Å; L478-A481 PolarHBondContact O-N 3.23Å; L478-A481 VanDerWaalsContact O-N 3.16Å; E479-A481 VanDerWaalsContact C-N 3.32Å; E479-A481 PolarHBondContact O-N 3.12Å; A481-R483 PolarHBondContact O-N 3.49Å; A481-R484 PolarHBondContact O-N 3.26Å; A481-L485 PolarHBondContact O-N 3.18Å
482K90.2Very high86Confident154 Ų154112.3 Ų112.367%0.6753%0.53SS*.Hα-helixtrans-57.3-48175.6-176177.31791790111.3L478 E479 R484 L485 Q486L478-K482 PolarHBondContact O-N 2.96Å; E479-K482 PolarHBondContact O-N 3.38Å; K482-R484 PolarHBondContact O-N 3.31Å; K482-L485 PolarHBondContact O-N 3.46Å; K482-Q486 PolarHBondContact O-N 2.75Å; K482-Q486 VanDerWaalsContact O-N 3.07Å
483R90Very high86.8Confident192 Ų192111 Ų11173%0.72552%0.521SS*.Hα-helixtrans-61.1-44.5177.9-174.5174.2177.5167.12.6112.3E479 A481 L485 Q486 E487E479-R483 WeakPolarHBondContact O-CB 3.31Å; E479-R483 PolarHBondContact O-N 3.49Å; A481-R483 PolarHBondContact O-N 3.49Å; R483-L485 VanDerWaalsContact C-N 3.34Å; R483-L485 PolarHBondContact O-N 2.94Å; R483-Q486 PolarHBondContact O-N 3.25Å; R483-E487 VanDerWaalsContact O-CB 3.31Å; R483-E487 WeakPolarHBondContact O-CB 3.36Å; R483-E487 PolarHBondContact O-N 3.36Å
484R89.8Confident87.2Confident176 Ų176110.8 Ų110.866%0.66452%0.52SS*.Hα-helixtrans-63.8-35.8176.5-79.1175.6172.7177.7-0.6113.2A480 A481 K482 R488A480-R484 WeakPolarHBondContact O-CB 3.48Å; A480-R484 WeakPolarHBondContact O-CG 3.49Å; A480-R484 PolarHBondContact O-N 3.17Å; A481-R484 PolarHBondContact O-N 3.26Å; K482-R484 PolarHBondContact O-N 3.31Å; R484-R488 WeakPolarHBondContact O-CB 3.43Å; R484-R488 WeakPolarHBondContact O-CG 3.46Å; R484-R488 PolarHBondContact O-N 3.19Å
485L91.5Very high87.6Confident104 Ų104109 Ų10955%0.54552%0.515SS..Hα-helixtrans-67-44.7176.5-176.763.3000110.9A481 K482 R483 R488 Y489A481-L485 PolarHBondContact O-N 3.18Å; K482-L485 PolarHBondContact O-N 3.46Å; R483-L485 VanDerWaalsContact C-N 3.34Å; R483-L485 PolarHBondContact O-N 2.94Å; L485-R488 WeakPolarHBondContact O-CB 3.49Å; L485-R488 PolarHBondContact O-N 3.41Å; L485-Y489 HydrophobicContact CD1-CD2 4.2Å; L485-Y489 HydrophobicContact CD1-CE2 3.77Å; L485-Y489 HydrophobicContact CD2-CE2 4.33Å; L485-Y489 HydrophobicContact CG-CD2 4.05Å; L485-Y489 HydrophobicContact CG-CE2 3.81Å; L485-Y489 VanDerWaalsContact O-CD2 3.3Å; L485-Y489 WeakPolarHBondContact O-CD2 3.13Å; L485-Y489 PolarHBondContact O-N 2.96Å
486Q91.4Very high87.7Confident135 Ų135113 Ų11363%0.63153%0.529SS*.Hα-helixtrans-65.6-42.4177.5-169.9172.14.200112.2K482 R483 R488 Y489 Q490K482-Q486 PolarHBondContact O-N 2.75Å; K482-Q486 VanDerWaalsContact O-N 3.07Å; R483-Q486 PolarHBondContact O-N 3.25Å; Q486-R488 VanDerWaalsContact C-N 3.28Å; Q486-R488 PolarHBondContact O-N 3.08Å; Q486-Y489 PolarHBondContact O-N 2.62Å; Q486-Q490 PolarHBondContact O-N 2.74Å
487E88.4Confident87.6Confident108 Ų108114.7 Ų114.751%0.50554%0.535SS..Hα-helixtrans-56.7-41.2171.7-176.5171.5-13300111.4R483 Q490 E491R483-E487 VanDerWaalsContact O-CB 3.31Å; R483-E487 WeakPolarHBondContact O-CB 3.36Å; R483-E487 PolarHBondContact O-N 3.36Å; E487-Q490 PolarHBondContact O-N 3.01Å; E487-E491 WeakPolarHBondContact O-CG 3.32Å; E487-E491 PolarHBondContact O-N 2.93Å
488R88.8Confident87.3Confident158 Ų158117 Ų11760%0.59655%0.548SS*.Hα-helixtrans-69.4-35.7176.5-77.4-77.7146.4148.6-14.5114.3R484 L485 Q486 E491 A492R484-R488 WeakPolarHBondContact O-CB 3.43Å; R484-R488 WeakPolarHBondContact O-CG 3.46Å; R484-R488 PolarHBondContact O-N 3.19Å; L485-R488 WeakPolarHBondContact O-CB 3.49Å; L485-R488 PolarHBondContact O-N 3.41Å; Q486-R488 VanDerWaalsContact C-N 3.28Å; Q486-R488 PolarHBondContact O-N 3.08Å; R488-E491 WeakPolarHBondContact CD-OE2 3.46Å; R488-E491 IonicContact CZ-OE1 3.72Å; R488-E491 IonicContact CZ-OE2 3.74Å; R488-E491 VanDerWaalsContact NE-CD 3.29Å; R488-E491 IonicContact NE-OE1 3.88Å; R488-E491 PolarHBondContact NE-OE1 3.06Å; R488-E491 IonicContact NE-OE2 3.24Å; R488-E491 PolarHBondContact NE-OE2 2.76Å; R488-E491 IonicContact NH1-OE2 3.58Å; R488-E491 IonicContact NH2-OE1 3.81Å; R488-E491 PolarHBondContact NH2-OE1 3.07Å; R488-E491 IonicContact NH2-OE2 2.62Å; R488-E491 PolarHBondContact NH2-OE2 3.22Å; R488-E491 VanDerWaalsContact NH2-OE2 3.13Å; R488-A492 WeakPolarHBondContact O-CB 3.4Å; R488-A492 PolarHBondContact O-N 3.03Å
489Y89.9Confident86.4Confident160 Ų160120 Ų12063%0.62755%0.551SS**Hα-helixtrans-64.8-41.2170.4-83.4-67.7000111.1L485 Q486 A492 E493L485-Y489 HydrophobicContact CD1-CD2 4.2Å; L485-Y489 HydrophobicContact CD1-CE2 3.77Å; L485-Y489 HydrophobicContact CD2-CE2 4.33Å; L485-Y489 HydrophobicContact CG-CD2 4.05Å; L485-Y489 HydrophobicContact CG-CE2 3.81Å; L485-Y489 VanDerWaalsContact O-CD2 3.3Å; L485-Y489 WeakPolarHBondContact O-CD2 3.13Å; L485-Y489 PolarHBondContact O-N 2.96Å; Q486-Y489 PolarHBondContact O-N 2.62Å; Y489-A492 PolarHBondContact O-N 3.22Å; Y489-E493 WeakPolarHBondContact O-CB 3.29Å; Y489-E493 PolarHBondContact O-N 3.01Å
490Q89.5Confident85.6Confident95 Ų95120.5 Ų120.544%0.44456%0.561SS.*Hα-helixtrans-68.2-38.6176.8-160.565.875.300112.8Q486 E487 A492 E493 N494Q486-Q490 PolarHBondContact O-N 2.74Å; E487-Q490 PolarHBondContact O-N 3.01Å; Q490-A492 VanDerWaalsContact C-N 3.33Å; Q490-E493 PolarHBondContact NE2-OE2 2.88Å; Q490-N494 VanDerWaalsContact O-CB 3.31Å; Q490-N494 WeakPolarHBondContact O-CB 3.46Å; Q490-N494 VanDerWaalsContact O-CG 3.28Å; Q490-N494 PolarHBondContact O-N 3.24Å; Q490-N494 PolarHBondContact O-ND2 2.99Å; Q490-N494 VanDerWaalsContact O-ND2 3.14Å
491E86.3Confident84.6Confident87 Ų87125 Ų12541%0.40758%0.577SS.*Hα-helixtrans-56.3-46.8168.7-76.9-180-153.300110.8E487 R488 A495E487-E491 WeakPolarHBondContact O-CG 3.32Å; E487-E491 PolarHBondContact O-N 2.93Å; R488-E491 WeakPolarHBondContact CD-OE2 3.46Å; R488-E491 IonicContact CZ-OE1 3.72Å; R488-E491 IonicContact CZ-OE2 3.74Å; R488-E491 VanDerWaalsContact NE-CD 3.29Å; R488-E491 IonicContact NE-OE1 3.88Å; R488-E491 PolarHBondContact NE-OE1 3.06Å; R488-E491 IonicContact NE-OE2 3.24Å; R488-E491 PolarHBondContact NE-OE2 2.76Å; R488-E491 IonicContact NH1-OE2 3.58Å; R488-E491 IonicContact NH2-OE1 3.81Å; R488-E491 PolarHBondContact NH2-OE1 3.07Å; R488-E491 IonicContact NH2-OE2 2.62Å; R488-E491 PolarHBondContact NH2-OE2 3.22Å; R488-E491 VanDerWaalsContact NH2-OE2 3.13Å; E491-A495 VanDerWaalsContact O-CB 3.29Å; E491-A495 WeakPolarHBondContact O-CB 3.5Å; E491-A495 PolarHBondContact O-N 3.02Å
492A88.4Confident83.3Confident56 Ų56129.3 Ų129.346%0.46359%0.587SS.*Hα-helixtrans-69.1-38.5-178.500000113R488 Y489 Q490 A495 K496R488-A492 WeakPolarHBondContact O-CB 3.4Å; R488-A492 PolarHBondContact O-N 3.03Å; Y489-A492 PolarHBondContact O-N 3.22Å; Q490-A492 VanDerWaalsContact C-N 3.33Å; A492-A495 CarbonylContact O-C 3.56Å; A492-A495 PolarHBondContact O-N 3.32Å; A492-K496 PolarHBondContact O-N 3.44Å
493E82.4Confident82.1Confident74 Ų74128.2 Ų128.235%0.34659%0.594SS.*Hα-helixtrans-66.6-45.7175.4-161.1-148.314800111.1Y489 Q490 A495 K496 R497Y489-E493 WeakPolarHBondContact O-CB 3.29Å; Y489-E493 PolarHBondContact O-N 3.01Å; Q490-E493 PolarHBondContact NE2-OE2 2.88Å; E493-A495 VanDerWaalsContact C-N 3.27Å; E493-A495 PolarHBondContact O-N 3.02Å; E493-K496 WeakPolarHBondContact O-CA 2.95Å; E493-K496 WeakPolarHBondContact O-CB 3.5Å; E493-K496 PolarHBondContact O-N 3.33Å; E493-R497 WeakPolarHBondContact O-CG 3.44Å; E493-R497 PolarHBondContact O-N 3.31Å; E493-R497 IonicContact OE1-CZ 2.67Å; E493-R497 IonicContact OE1-NE 3.14Å; E493-R497 PolarHBondContact OE1-NE 3.11Å; E493-R497 IonicContact OE1-NH2 2.76Å; E493-R497 PolarHBondContact OE1-NH2 3.48Å
494N85.8Confident80.7Confident74 Ų74125.1 Ų125.140%0.39659%0.589SS.*Hα-helixtrans-61.3-37.2173.6-74.5-31.4000111.5Q490 R497 Q498Q490-N494 VanDerWaalsContact O-CB 3.31Å; Q490-N494 WeakPolarHBondContact O-CB 3.46Å; Q490-N494 VanDerWaalsContact O-CG 3.28Å; Q490-N494 PolarHBondContact O-N 3.24Å; Q490-N494 PolarHBondContact O-ND2 2.99Å; Q490-N494 VanDerWaalsContact O-ND2 3.14Å; N494-R497 PolarHBondContact O-N 3.21Å; N494-Q498 WeakPolarHBondContact O-CB 3.06Å; N494-Q498 VanDerWaalsContact O-CG 3.28Å; N494-Q498 WeakPolarHBondContact O-CG 3.34Å; N494-Q498 PolarHBondContact O-N 3.43Å
495A83.7Confident79.2Confident35 Ų35123.7 Ų123.729%0.28959%0.59SS.*Hα-helixtrans-70.2-26.8172.600000113.5E491 A492 E493 R499E491-A495 VanDerWaalsContact O-CB 3.29Å; E491-A495 WeakPolarHBondContact O-CB 3.5Å; E491-A495 PolarHBondContact O-N 3.02Å; A492-A495 CarbonylContact O-C 3.56Å; A492-A495 PolarHBondContact O-N 3.32Å; E493-A495 VanDerWaalsContact C-N 3.27Å; E493-A495 PolarHBondContact O-N 3.02Å; A495-R499 WeakPolarHBondContact O-CD 3.31Å; A495-R499 VanDerWaalsContact O-CG 3.28Å; A495-R499 WeakPolarHBondContact O-CG 3.47Å; A495-R499 PolarHBondContact O-N 3.24Å; A495-R499 PolarHBondContact O-NE 3.45Å
496K83.8Confident77.8Confident160 Ų160125.8 Ų125.870%0.69660%0.601SS**Hα-helixtrans-70.7-46.7169.8-168.3178.5-179.8-178.90110A492 E493 Q498 R499A492-K496 PolarHBondContact O-N 3.44Å; E493-K496 WeakPolarHBondContact O-CA 2.95Å; E493-K496 WeakPolarHBondContact O-CB 3.5Å; E493-K496 PolarHBondContact O-N 3.33Å; K496-Q498 VanDerWaalsContact C-N 3.32Å; K496-Q498 PolarHBondContact O-N 2.97Å; K496-R499 PolarHBondContact O-N 3.1Å; K496-R499 VanDerWaalsContact O-N 3.14Å
497R81.1Confident76.5Confident189 Ų189121.4 Ų121.471%0.71359%0.592SS**Hα-helixtrans-61.6-34.1175.2-67.3176.7-178.2-118.87.8113.2E493 N494 R499E493-R497 WeakPolarHBondContact O-CG 3.44Å; E493-R497 PolarHBondContact O-N 3.31Å; E493-R497 IonicContact OE1-CZ 2.67Å; E493-R497 IonicContact OE1-NE 3.14Å; E493-R497 PolarHBondContact OE1-NE 3.11Å; E493-R497 IonicContact OE1-NH2 2.76Å; E493-R497 PolarHBondContact OE1-NH2 3.48Å; N494-R497 PolarHBondContact O-N 3.21Å; R497-R499 VanDerWaalsContact C-N 3.32Å
498Q80.9Confident75.3Confident161 Ų161122.6 Ų122.675%0.75260%0.601SS**THydrogen-bonded Turntrans-76.7-11.5176-75.5176.411.400114.4N494 K496 T500N494-Q498 WeakPolarHBondContact O-CB 3.06Å; N494-Q498 VanDerWaalsContact O-CG 3.28Å; N494-Q498 WeakPolarHBondContact O-CG 3.34Å; N494-Q498 PolarHBondContact O-N 3.43Å; K496-Q498 VanDerWaalsContact C-N 3.32Å; K496-Q498 PolarHBondContact O-N 2.97Å; Q498-T500 PolarHBondContact O-N 2.98Å
499R69.6Low73.7Confident183 Ų183119.2 Ų119.269%0.69159%0.594SS**SBendtrans-85.799.1173.7-72.3165-168.1-177.24109.1A495 K496 R497 I501A495-R499 WeakPolarHBondContact O-CD 3.31Å; A495-R499 VanDerWaalsContact O-CG 3.28Å; A495-R499 WeakPolarHBondContact O-CG 3.47Å; A495-R499 PolarHBondContact O-N 3.24Å; A495-R499 PolarHBondContact O-NE 3.45Å; K496-R499 PolarHBondContact O-N 3.1Å; K496-R499 VanDerWaalsContact O-N 3.14Å; R497-R499 VanDerWaalsContact C-N 3.32Å; R499-I501 PolarHBondContact O-N 2.85Å
500T66.3Low72.6Confident122 Ų122117.3 Ų117.375%0.74860%0.602SS**  trans-59103.7166.8-51.20000109.5Q498 Q502Q498-T500 PolarHBondContact O-N 2.98Å; T500-Q502 HydrophobicContact CG2-CG 4.3Å; T500-Q502 PolarHBondContact O-N 3.47Å; T500-Q502 VanDerWaalsContact O-N 3.07Å
501I68.2Low71.2Confident144 Ų144119.5 Ų119.574%0.73861%0.61SS**  trans-72100170.1-59.9176.6000106.6R499 V503R499-I501 PolarHBondContact O-N 2.85Å; I501-V503 HydrophobicContact CG2-CG2 4.32Å; I501-V503 PolarHBondContact O-N 3.33Å; I501-V503 VanDerWaalsContact O-N 3.17Å
502Q64Low69.9Low148 Ų148120.9 Ų120.969%0.69263%0.626SS**  trans-76.498.6168.8-70.4-175.8-7.400108.1T500 M504T500-Q502 HydrophobicContact CG2-CG 4.3Å; T500-Q502 PolarHBondContact O-N 3.47Å; T500-Q502 VanDerWaalsContact O-N 3.07Å; Q502-M504 VanDerWaalsContact C-N 3.34Å; Q502-M504 PolarHBondContact O-N 3.04Å
503V64.4Low68.1Low132 Ų132127.4 Ų127.480%0.864%0.644SS**  trans-65.297.6165.4-178.90000107.1I501I501-V503 HydrophobicContact CG2-CG2 4.32Å; I501-V503 PolarHBondContact O-N 3.33Å; I501-V503 VanDerWaalsContact O-N 3.17Å
504M60Low66.5Low127 Ų127131.7 Ų131.763%0.62667%0.669SS**  trans-90.4114.4170.6-83.7-176.2-7300108.7Q502Q502-M504 VanDerWaalsContact C-N 3.34Å; Q502-M504 PolarHBondContact O-N 3.04Å
505E59.1Low64.8Low146 Ų146136.9 Ų136.968%0.68269%0.691SS**  trans-56.6146.2164.9-66.9-176.9-162.300110.8G507 D508E505-G507 PolarHBondContact O-N 2.7Å; E505-D508 PolarHBondContact O-N 3.14Å
506L61.9Low63.1Low148 Ų148141.5 Ų141.578%0.77571%0.711SS**THydrogen-bonded Turntrans-60.5-7.8174.3-69.1163000113.5I509 K511L506-I509 HydrophobicContact CD2-CD1 4.06Å; L506-K511 PolarHBondContact O-NZ 3.19Å
507G63.3Low61Low43 Ų43143.7 Ų143.744%0.44372%0.715SS.*THydrogen-bonded Turntrans-64.7-51.1168.600000113.4E505 K511E505-G507 PolarHBondContact O-N 2.7Å; G507-K511 PolarHBondContact O-NZ 3.32Å
508D63.6Low59.2Low132 Ų132142 Ų14271%0.70672%0.716SS**THydrogen-bonded Turntrans-90.1-7.9-161.2-83.9-16.7000115.5E505 P510E505-D508 PolarHBondContact O-N 3.14Å; D508-P510 VanDerWaalsContact O-CD 3.26Å; D508-P510 WeakPolarHBondContact O-CD 3.34Å
509I56.2Low57.5Low87 Ų87139.9 Ų139.945%0.44672%0.715SS.*SBendtrans-57121.5170.1-57.8176.3000109L506 K511L506-I509 HydrophobicContact CD2-CD1 4.06Å; I509-K511 PolarHBondContact O-N 3.32Å
510P65.8Low56.3Low121 Ų121138 Ų13879%0.78672%0.724SS**  trans-63.890.3-173.7-27.337.2000114.3D508 P512D508-P510 VanDerWaalsContact O-CD 3.26Å; D508-P510 WeakPolarHBondContact O-CD 3.34Å; P510-P512 WeakPolarHBondContact O-CD 3.34Å
511K60.5Low55.3Low140 Ų140137.5 Ų137.561%0.60972%0.721SS**  trans-55.3118-179.2-75.8153.1-177.6134.90111.1L506 G507 I509 K513L506-K511 PolarHBondContact O-NZ 3.19Å; G507-K511 PolarHBondContact O-NZ 3.32Å; I509-K511 PolarHBondContact O-N 3.32Å; K511-K513 PolarHBondContact O-N 3.19Å
512P59.1Low54.4Low117 Ų117139.9 Ų139.976%0.7673%0.726SS**  trans-66.7122.8-174.724.7-33.2000111.4P510 N514P510-P512 WeakPolarHBondContact O-CD 3.34Å; P512-N514 PolarHBondContact O-N 3.37Å
513K51.4Low53.5Low193 Ų193138.7 Ų138.784%0.83973%0.734SS**  trans-74.480.8-174.1-70.4179.1178172.50112.7K511 Q515K511-K513 PolarHBondContact O-N 3.19Å; K513-Q515 PolarHBondContact O-N 3.36Å
514N47.2Very low52.4Low163 Ų163142.2 Ų142.287%0.87273%0.733SS**  trans-67.393.7164.7-91.8-29.2000110.7P512P512-N514 PolarHBondContact O-N 3.37Å
515Q51.2Low51.5Low183 Ų183142.3 Ų142.386%0.85574%0.735SS**  trans-79.5142.7170.3-67.5-168.4-8.800111K513K513-Q515 PolarHBondContact O-N 3.36Å
516N47.3Very low50.8Low133 Ų133140.3 Ų140.371%0.71174%0.738SS**  trans-121.6143-163.5-172.4-3.7000111.1
517R39.6Very low49.9Very low205 Ų205140.6 Ų140.677%0.77474%0.739SS**  trans71.3153.2177.2-42.3-177.6174.4169.2-4.4114
518Q44.2Very low49.5Very low155 Ų155149.1 Ų149.172%0.72476%0.758SS**  cis-131.1158.97.6-72.2-73.411.700111.5
519P43.9Very low48.6Very low115 Ų115149.5 Ų149.575%0.74776%0.76SS**  trans-89.3140.2177.434.8-33.1000113.8
520V45.4Very low48.1Very low143 Ų143158.4 Ų158.487%0.86779%0.788SS**  trans-134.9154.6169.5179.50000109.9
521V46Very low47.2Very low113 Ų113156.1 Ų156.169%0.68578%0.78SS**  trans-108.2154.2-155.3-149.80000113.7
522K48.9Very low46.6Very low193 Ų193157.3 Ų157.384%0.83979%0.793SS**  trans82149.3172-52.4128.3-172.9174.30113.3
523S44.5Very low46.1Very low123 Ų123155.7 Ų155.786%0.8680%0.797SS**  cis-134.1178.120.9-160.50000115.4
524R40.6Very low46Very low207 Ų207158.2 Ų158.278%0.78180%0.801SS**  trans-89.5156.7-171.6-84160.846.6147.8-7.7114.2
525N42.4Very low46.3Very low128 Ų128165.9 Ų165.968%0.68482%0.818SS**  trans53.8127.3148.2-64.219000119.9
526S44.6Very low46Very low104 Ų104165.1 Ų165.173%0.72782%0.816SS**  -155.5112.1109.5-166.10000112
527L43.1Very low45.9Very low155 Ų155166.7 Ų166.781%0.81282%0.822SS**  trans-83.7122.7155.7-72.282.3000107.2
528R53.1Low46.3Very low221 Ų221164.6 Ų164.683%0.83483%0.825SS**  trans-163.999157.9-109.7152-161.1-108.21.8113.3
529N46.7Very low46.4Very low140 Ų140165.2 Ų165.275%0.74983%0.831SS**  trans15.5112.5131.4-46.41.5000116.4
530W44Very low46.6Very low275 Ų275168.3 Ų168.3100%1.04284%0.836SS**  trans-92.9132131.1-84.8-23.8000108.1
531A47.3Very low46.7Very low73 Ų73170 Ų17060%0.60383%0.834SS**  trans-120.9146.9-162.400000112.5
532N47.6Very low46.7Very low165 Ų165174.1 Ų174.188%0.88284%0.844SS**  trans53.698.2148.8-58.8-4.3000118.2
533G49.9Very low46.5Very low83 Ų83172.6 Ų172.686%0.85685%0.845SS**  trans-125.148.5167.100000113.6
534R48.3Very low46.7Very low245 Ų245176.8 Ų176.893%0.92584%0.843SS**  trans-145.2101.2169-80-165.4-177.6-103.13112.9
535R52.9Low47.3Very low325 Ų325174 Ų174100%1.22685%0.849SS**  trans-135.90133.2-101-170.5178.7-102.21.6107.5

Retrieved 535 of 535 residues in 78.2 ms (Link to these results)

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