A0A096NFL9_PAPAN Loading...

Activating transcription factor 3

AlphaFold DB (A0A2K5MS55), UniProt , Accession A0A096NFL9, Species PAPAN (Papio anubis, Olive baboon), Gene ATF3, Length 181 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
1M44.8Very low44.1Very low246 Ų246153.3 Ų153.3100%1.21286%0.862SS**  0135.90-63.7-163-155.800107.7
2M40.6Very low44.1Very low189 Ų189149.8 Ų149.893%0.93186%0.855SS**  trans-67.6131.7-168.1-62.1-71.9177.800111.8
3L46.3Very low43.9Very low170 Ų170152.2 Ų152.289%0.8985%0.854SS**  trans-116.5128.6161-82.5167.7000108.1
4Q51.3Low44Very low176 Ų176150.9 Ų150.982%0.82285%0.852SS**  trans-117.5120.6-162.6-177.3161.645.100107.7
5H40Very low44.1Very low179 Ų179148.4 Ų148.483%0.82985%0.847SS**  trans-145.7156167.4-76.7-43.8000110.6
6P47.4Very low44.1Very low122 Ų122145.1 Ų145.179%0.79284%0.844SS**  trans-99.6140.1-133.135.2-31.6000112.7
7G38.4Very low44.5Very low72 Ų72142.9 Ų142.974%0.74284%0.839SS**  trans-103.3109.3169.600000110V9G7-V9 PolarHBondContact O-N 2.78Å
8Q50.1Low44.5Very low191 Ų191139.8 Ų139.889%0.89383%0.832SS**  trans-61.6126163.5-67.6173.3-79.100108.9
9V40.3Very low45Very low132 Ų132140.7 Ų140.780%0.883%0.831SS**  trans-132101.2162.7-163.70000106.6G7 A11G7-V9 PolarHBondContact O-N 2.78Å; V9-A11 PolarHBondContact O-N 3.2Å
10S42.8Very low45.3Very low125 Ų125139.1 Ų139.187%0.87482%0.822SS**  trans-69.8102.9167.1-69.30000108.4
11A43.7Very low45.4Very low84 Ų84137.7 Ų137.769%0.69482%0.817SS**  trans-100.9109.2162.300000107.3V9 E13V9-A11 PolarHBondContact O-N 3.2Å; A11-E13 PolarHBondContact O-N 3.49Å; A11-E13 VanDerWaalsContact O-N 3.16Å
12S43.1Very low45.4Very low112 Ų112131 Ų13178%0.78379%0.793SS**  trans-64.9109.9172.9-166.20000108.8V14S12-V14 PolarHBondContact O-N 2.98Å
13E42.2Very low46Very low180 Ų180130.2 Ų130.284%0.84179%0.792SS**  trans-74.194.9170.7-65.5-176.8153.100109.1A11 S15A11-E13 PolarHBondContact O-N 3.49Å; A11-E13 VanDerWaalsContact O-N 3.16Å; E13-S15 VanDerWaalsContact C-N 3.27Å; E13-S15 PolarHBondContact O-N 2.85Å; E13-S15 VanDerWaalsContact O-N 3.15Å
14V44.6Very low46.3Very low135 Ų135126.7 Ų126.782%0.81878%0.781SS**  trans-84.276.1165.2-102.40000109.1S12 A16S12-V14 PolarHBondContact O-N 2.98Å; V14-A16 PolarHBondContact O-N 3.35Å
15S45.6Very low46.4Very low113 Ų113123.8 Ų123.879%0.7978%0.777SS**  trans-78.491.9162-102.90000108.8E13 S17E13-S15 VanDerWaalsContact C-N 3.27Å; E13-S15 PolarHBondContact O-N 2.85Å; E13-S15 VanDerWaalsContact O-N 3.15Å; S15-S17 PolarHBondContact O-N 3.16Å; S15-S17 VanDerWaalsContact O-N 3.13Å
16A44.7Very low46.9Very low96 Ų96122.1 Ų122.179%0.79378%0.782SS**  trans-78.688.2169.700000109.6V14 A18V14-A16 PolarHBondContact O-N 3.35Å; A16-A18 VanDerWaalsContact C-N 3.29Å; A16-A18 PolarHBondContact O-N 3.35Å
17S50.7Low47.2Very low108 Ų108119 Ų11976%0.75577%0.773SS**  trans-69.787.8162.7-77.30000109.4S15 I19S15-S17 PolarHBondContact O-N 3.16Å; S15-S17 VanDerWaalsContact O-N 3.13Å; S17-I19 PolarHBondContact O-N 3.25Å
18A45.3Very low48Very low87 Ų87120.2 Ų120.272%0.71977%0.77SS**  trans-76.693.9163.800000108.6A16 V20A16-A18 VanDerWaalsContact C-N 3.29Å; A16-A18 PolarHBondContact O-N 3.35Å; A18-V20 PolarHBondContact O-N 3.32Å; A18-V20 VanDerWaalsContact O-N 3.12Å
19I52.3Low48.3Very low156 Ų156117.8 Ų117.880%0.876%0.762SS**  trans-73.5100.5167.5-61.5171.8000106.6S17 P21S17-I19 PolarHBondContact O-N 3.25Å; I19-P21 WeakPolarHBondContact O-CD 3.4Å
20V51.1Low49.1Very low108 Ų108114.8 Ų114.866%0.65574%0.744SS**  trans-78.1122.3169-178.70000107.4A18 C22A18-V20 PolarHBondContact O-N 3.32Å; A18-V20 VanDerWaalsContact O-N 3.12Å; V20-C22 VanDerWaalsContact C-N 3.3Å; V20-C22 PolarHBondContact O-N 3.41Å
21P48Very low49.7Very low111 Ų111117.2 Ų117.272%0.72174%0.739SS**  trans-70.892.1168.1-10.126.4000108I19 L23I19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-L23 PolarHBondContact O-N 3.48Å
22C44.3Very low50.3Low105 Ų105118.9 Ų118.971%0.70973%0.733SS**  trans-71.795.117028.50000108.7V20 S24V20-C22 VanDerWaalsContact C-N 3.3Å; V20-C22 PolarHBondContact O-N 3.41Å; C22-S24 PolarHBondContact O-N 2.92Å
23L53Low51.2Low173 Ų173116.6 Ų116.691%0.90671%0.712SS**  trans-71.380.6163.4-64.8174000108.4P21P21-L23 PolarHBondContact O-N 3.48Å
24S54Low51.9Low95 Ų95115.1 Ų115.166%0.66470%0.703SS**  trans-105.8139.9163.9-65.40000108.7C22C22-S24 PolarHBondContact O-N 2.92Å
25P52.3Low52.7Low115 Ų115110.9 Ų110.975%0.74768%0.682SS**  trans-62.6150.5-17826.8-32.7000110.3G27P25-G27 PolarHBondContact O-N 3.33Å
26P50.7Low53.5Low144 Ų144109.6 Ų109.694%0.93567%0.666SS**SBendtrans-74.174.4176.231.6-32.5000109.4
27G54.1Low54.3Low57 Ų57110.2 Ų110.259%0.58866%0.655SS**  trans-122.278.9169.500000107.5P25 L29P25-G27 PolarHBondContact O-N 3.33Å; G27-L29 VanDerWaalsContact C-N 3.28Å; G27-L29 PolarHBondContact O-N 3.02Å
28S54.6Low54.9Low98 Ų98109.1 Ų109.169%0.68565%0.645SS**  trans-66.888.6172.4177.10000108.6V30S28-V30 PolarHBondContact O-N 3.31Å; S28-V30 VanDerWaalsContact OG-CG1 3.26Å; S28-V30 WeakPolarHBondContact OG-CG1 3.46Å
29L56.6Low55.9Low140 Ų140108.1 Ų108.173%0.73363%0.631SS**  trans-69.291.9156.6-66.7-176.2000106.2G27 D33G27-L29 VanDerWaalsContact C-N 3.28Å; G27-L29 PolarHBondContact O-N 3.02Å; L29-D33 WeakPolarHBondContact CA-OD2 3.41Å
30V58.2Low56.8Low69 Ų69107.5 Ų107.542%0.41862%0.623SS.*  trans-65152.7179.3-85.70000109S28 E32 D33S28-V30 PolarHBondContact O-N 3.31Å; S28-V30 VanDerWaalsContact OG-CG1 3.26Å; S28-V30 WeakPolarHBondContact OG-CG1 3.46Å; V30-E32 HydrophobicContact CB-CB 4.41Å; V30-E32 HydrophobicContact CG2-CB 4.01Å; V30-E32 PolarHBondContact O-N 3.38Å; V30-D33 PolarHBondContact N-OD2 3.49Å; V30-D33 WeakPolarHBondContact O-CB 3.32Å; V30-D33 PolarHBondContact O-N 3.43Å
31F54.1Low58Low175 Ų175106.5 Ų106.577%0.76862%0.616SS**Hα-helixtrans-48.6-28.2174.3-178-99.2000113.4D33 F34 A35F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 3.29Å; F31-F34 PolarHBondContact O-N 3.43Å; F31-A35 PolarHBondContact O-N 3.37Å
32E57Low59.3Low120 Ų120106.8 Ų106.856%0.56161%0.606SS**Hα-helixtrans-57.8-37171.8-72.3-73.6120.200113.4V30 F34 A35 N36V30-E32 HydrophobicContact CB-CB 4.41Å; V30-E32 HydrophobicContact CG2-CB 4.01Å; V30-E32 PolarHBondContact O-N 3.38Å; E32-F34 PolarHBondContact O-N 2.89Å; E32-A35 PolarHBondContact O-N 2.92Å; E32-N36 WeakPolarHBondContact O-CB 3.41Å; E32-N36 PolarHBondContact O-N 2.91Å; E32-N36 PolarHBondContact O-ND2 3.24Å
33D61.8Low61.2Low64 Ų64107.5 Ų107.534%0.34260%0.599SS.*Hα-helixtrans-67.9-37.7179.4-63.4-36.6000111.1L29 V30 F31 L37L29-D33 WeakPolarHBondContact CA-OD2 3.41Å; V30-D33 PolarHBondContact N-OD2 3.49Å; V30-D33 WeakPolarHBondContact O-CB 3.32Å; V30-D33 PolarHBondContact O-N 3.43Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 3.29Å; D33-L37 VanDerWaalsContact O-CD1 3.27Å; D33-L37 WeakPolarHBondContact O-CD1 3.45Å; D33-L37 PolarHBondContact O-N 3.09Å
34F57.1Low62.5Low149 Ų149105.9 Ų105.965%0.65459%0.587SS**Hα-helixtrans-70.6-38.3173.3-101.9-93.5000112.3F31 E32 N36 L37 T38F31-F34 PolarHBondContact O-N 3.43Å; E32-F34 PolarHBondContact O-N 2.89Å; F34-N36 VanDerWaalsContact C-N 3.3Å; F34-N36 PolarHBondContact O-N 3.45Å; F34-L37 PolarHBondContact O-N 3.29Å; F34-T38 PolarHBondContact O-N 2.92Å; F34-T38 VanDerWaalsContact O-N 3.17Å; F34-T38 PolarHBondContact O-OG1 3.47Å
35A61.1Low63.9Low46 Ų46106.3 Ų106.338%0.3858%0.581SS.*Hα-helixtrans-64.2-36.8176.700000111.7F31 E32 P39F31-A35 PolarHBondContact O-N 3.37Å; E32-A35 PolarHBondContact O-N 2.92Å; A35-P39 WeakPolarHBondContact O-CD 3.4Å
36N62.2Low65.4Low85 Ų85107.3 Ų107.346%0.45557%0.57SS.*Hα-helixtrans-78.8-31.8177.8-73.4-59.4000113.2E32 F34 P39 F40E32-N36 WeakPolarHBondContact O-CB 3.41Å; E32-N36 PolarHBondContact O-N 2.91Å; E32-N36 PolarHBondContact O-ND2 3.24Å; F34-N36 VanDerWaalsContact C-N 3.3Å; F34-N36 PolarHBondContact O-N 3.45Å; N36-P39 VanDerWaalsContact O-CD 3.26Å; N36-P39 WeakPolarHBondContact O-CD 3.46Å; N36-P39 VanDerWaalsContact O-CG 3.26Å; N36-P39 WeakPolarHBondContact O-CG 3.46Å; N36-F40 WeakPolarHBondContact O-CD2 3.46Å
37L62Low67.1Low109 Ų109106.4 Ų106.457%0.57155%0.552SS**Hα-helixtrans-71.7-34.3175.4-100.871.4000113.3D33 F34 F40 V41D33-L37 VanDerWaalsContact O-CD1 3.27Å; D33-L37 WeakPolarHBondContact O-CD1 3.45Å; D33-L37 PolarHBondContact O-N 3.09Å; F34-L37 PolarHBondContact O-N 3.29Å; L37-F40 PolarHBondContact O-N 3.24Å; L37-V41 VanDerWaalsContact O-CG2 3.3Å; L37-V41 WeakPolarHBondContact O-CG2 3.48Å; L37-V41 PolarHBondContact O-N 3.38Å
38T64.2Low68.5Low86 Ų86106.3 Ų106.353%0.52855%0.546SS..Hα-helixtrans-57-44.3-176.7-56.60000114.5F34 K42F34-T38 PolarHBondContact O-N 2.92Å; F34-T38 VanDerWaalsContact O-N 3.17Å; F34-T38 PolarHBondContact O-OG1 3.47Å; T38-K42 VanDerWaalsContact O-CB 3.27Å; T38-K42 WeakPolarHBondContact O-CB 3.47Å; T38-K42 PolarHBondContact O-N 3.06Å; T38-K42 VanDerWaalsContact O-N 3.11Å
39P66.1Low70Confident66 Ų66105.4 Ų105.443%0.42953%0.532SS..Hα-helixtrans-66.8-40.1175.324.5-33.5000112.4A35 N36 K42 E43A35-P39 WeakPolarHBondContact O-CD 3.4Å; N36-P39 VanDerWaalsContact O-CD 3.26Å; N36-P39 WeakPolarHBondContact O-CD 3.46Å; N36-P39 VanDerWaalsContact O-CG 3.26Å; N36-P39 WeakPolarHBondContact O-CG 3.46Å; P39-K42 WeakPolarHBondContact O-CB 3.47Å; P39-K42 PolarHBondContact O-N 2.81Å; P39-E43 WeakPolarHBondContact O-CB 3.49Å; P39-E43 PolarHBondContact O-N 2.75Å
40F70.8Confident71.3Confident143 Ų143104.8 Ų104.863%0.62753%0.525SS*.Hα-helixtrans-67.6-43178.4-68.1-66.4000112.5N36 L37 K42 E43 E44N36-F40 WeakPolarHBondContact O-CD2 3.46Å; L37-F40 PolarHBondContact O-N 3.24Å; F40-K42 PolarHBondContact O-N 3.32Å; F40-E43 PolarHBondContact O-N 3.03Å; F40-E43 VanDerWaalsContact O-N 3.16Å; F40-E44 WeakPolarHBondContact O-CB 3.48Å; F40-E44 WeakPolarHBondContact O-CG 3.43Å; F40-E44 PolarHBondContact O-N 3.4Å
41V76.4Confident72.4Confident86 Ų86104.4 Ų104.452%0.52152%0.521SS..Hα-helixtrans-62-35.9174.91740000111L37 L45L37-V41 VanDerWaalsContact O-CG2 3.3Å; L37-V41 WeakPolarHBondContact O-CG2 3.48Å; L37-V41 PolarHBondContact O-N 3.38Å; V41-L45 WeakPolarHBondContact O-CB 3.38Å; V41-L45 PolarHBondContact O-N 3.15Å
42K75.5Confident73.7Confident118 Ų118103.4 Ų103.451%0.51352%0.517SS..Hα-helixtrans-70.1-39.9175.6-172178.4-179.7-178.60111.8T38 P39 F40 R46T38-K42 VanDerWaalsContact O-CB 3.27Å; T38-K42 WeakPolarHBondContact O-CB 3.47Å; T38-K42 PolarHBondContact O-N 3.06Å; T38-K42 VanDerWaalsContact O-N 3.11Å; P39-K42 WeakPolarHBondContact O-CB 3.47Å; P39-K42 PolarHBondContact O-N 2.81Å; F40-K42 PolarHBondContact O-N 3.32Å; K42-R46 WeakPolarHBondContact O-CB 3.41Å; K42-R46 WeakPolarHBondContact O-CD 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.38Å; K42-R46 PolarHBondContact O-N 2.7Å
43E82.8Confident74.7Confident119 Ų119103.7 Ų103.756%0.55652%0.518SS*.Hα-helixtrans-65.8-46.5175.2-153.976-134.600110.9P39 F40 L45 R46 F47P39-E43 WeakPolarHBondContact O-CB 3.49Å; P39-E43 PolarHBondContact O-N 2.75Å; F40-E43 PolarHBondContact O-N 3.03Å; F40-E43 VanDerWaalsContact O-N 3.16Å; E43-L45 PolarHBondContact O-N 3.15Å; E43-R46 WeakPolarHBondContact O-CB 3.46Å; E43-R46 PolarHBondContact O-N 3.15Å; E43-F47 WeakPolarHBondContact O-CB 3.49Å; E43-F47 PolarHBondContact O-N 2.85Å
44E81.3Confident75.5Confident139 Ų139104.9 Ų104.965%0.6552%0.523SS*.Hα-helixtrans-61.4-42.7175.1-75.1-172.8166.600111.7F40 F47 A48F40-E44 WeakPolarHBondContact O-CB 3.48Å; F40-E44 WeakPolarHBondContact O-CG 3.43Å; F40-E44 PolarHBondContact O-N 3.4Å; E44-F47 PolarHBondContact O-N 3.29Å; E44-A48 VanDerWaalsContact O-CB 3.22Å; E44-A48 WeakPolarHBondContact O-CB 3.32Å; E44-A48 PolarHBondContact O-N 2.71Å
45L83.7Confident76.1Confident105 Ų105101.7 Ų101.755%0.5552%0.519SS..Hα-helixtrans-65.3-40.9175.6-178.361.7000111.4V41 E43 A48 I49V41-L45 WeakPolarHBondContact O-CB 3.38Å; V41-L45 PolarHBondContact O-N 3.15Å; E43-L45 PolarHBondContact O-N 3.15Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-I49 HydrophobicContact CD1-CD1 4.13Å; L45-I49 HydrophobicContact CD1-CG1 4.36Å; L45-I49 HydrophobicContact CG-CD1 3.92Å; L45-I49 WeakPolarHBondContact O-CB 3.24Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.27Å; L45-I49 PolarHBondContact O-N 3.48Å
46R83.3Confident76.4Confident135 Ų135104 Ų10451%0.50952%0.521SS..Hα-helixtrans-61.8-46.2174.6-78.9168.8173-162.3-5.1111.1K42 E43 I49 Q50K42-R46 WeakPolarHBondContact O-CB 3.41Å; K42-R46 WeakPolarHBondContact O-CD 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.38Å; K42-R46 PolarHBondContact O-N 2.7Å; E43-R46 WeakPolarHBondContact O-CB 3.46Å; E43-R46 PolarHBondContact O-N 3.15Å; R46-I49 PolarHBondContact O-N 3.22Å; R46-Q50 WeakPolarHBondContact O-CB 3.35Å; R46-Q50 PolarHBondContact O-N 2.93Å
47F85.4Confident76.7Confident125 Ų125108 Ų10855%0.54853%0.53SS..Hα-helixtrans-65.3-41.4178.4-161.9-101.5000111.4E43 E44 I49 Q50 N51E43-F47 WeakPolarHBondContact O-CB 3.49Å; E43-F47 PolarHBondContact O-N 2.85Å; E44-F47 PolarHBondContact O-N 3.29Å; F47-I49 PolarHBondContact O-N 3.1Å; F47-Q50 PolarHBondContact O-N 3.19Å; F47-N51 VanDerWaalsContact CD1-ND2 3.35Å; F47-N51 WeakPolarHBondContact CD1-ND2 3.5Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.41Å; F47-N51 VanDerWaalsContact O-CB 3.32Å; F47-N51 WeakPolarHBondContact O-CB 3.29Å; F47-N51 PolarHBondContact O-N 2.88Å
48A85.1Confident76.6Confident56 Ų56107.9 Ų107.946%0.46353%0.528SS..Hα-helixtrans-63-41.4174.500000112.2E44 L45 K52E44-A48 VanDerWaalsContact O-CB 3.22Å; E44-A48 WeakPolarHBondContact O-CB 3.32Å; E44-A48 PolarHBondContact O-N 2.71Å; L45-A48 PolarHBondContact O-N 3.38Å; A48-K52 WeakPolarHBondContact O-CB 3.23Å; A48-K52 PolarHBondContact O-N 3.24Å
49I85.2Confident76.2Confident79 Ų79107.4 Ų107.441%0.40553%0.528SS..Hα-helixtrans-64.9-46.5174.6-70164.8000110.3L45 R46 F47 K52 H53L45-I49 HydrophobicContact CD1-CD1 4.13Å; L45-I49 HydrophobicContact CD1-CG1 4.36Å; L45-I49 HydrophobicContact CG-CD1 3.92Å; L45-I49 WeakPolarHBondContact O-CB 3.24Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.27Å; L45-I49 PolarHBondContact O-N 3.48Å; R46-I49 PolarHBondContact O-N 3.22Å; F47-I49 PolarHBondContact O-N 3.1Å; I49-K52 PolarHBondContact O-N 2.95Å; I49-H53 PolarHBondContact O-CD2 3.41Å; I49-H53 VanDerWaalsContact O-CG 3.3Å; I49-H53 PolarHBondContact O-N 2.9Å
50Q84.6Confident75.7Confident126 Ų126107 Ų10759%0.58953%0.527SS*.Hα-helixtrans-63.8-44.9-179.3-173175.83.300111.7R46 F47 K52 H53 L54R46-Q50 WeakPolarHBondContact O-CB 3.35Å; R46-Q50 PolarHBondContact O-N 2.93Å; F47-Q50 PolarHBondContact O-N 3.19Å; Q50-K52 VanDerWaalsContact C-N 3.35Å; Q50-H53 PolarHBondContact O-N 2.88Å; Q50-L54 WeakPolarHBondContact O-CB 3.35Å; Q50-L54 PolarHBondContact O-N 3.36Å
51N81.4Confident75.1Confident62 Ų62102.6 Ų102.633%0.33252%0.517SS..Hα-helixtrans-64-40174.6-81.4-9.3000111.7F47 H53 L54 C55F47-N51 VanDerWaalsContact CD1-ND2 3.35Å; F47-N51 WeakPolarHBondContact CD1-ND2 3.5Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.41Å; F47-N51 VanDerWaalsContact O-CB 3.32Å; F47-N51 WeakPolarHBondContact O-CB 3.29Å; F47-N51 PolarHBondContact O-N 2.88Å; N51-H53 VanDerWaalsContact C-N 3.3Å; N51-H53 PolarHBondContact O-N 3.47Å; N51-L54 PolarHBondContact O-N 3.08Å; N51-C55 WeakPolarHBondContact O-CB 3.41Å; N51-C55 PolarHBondContact O-N 3.49Å; N51-C55 PolarHBondContact O-SG 3.38Å; N51-C55 VanDerWaalsContact O-SG 3.32Å
52K81.3Confident73.9Confident154 Ų154106.3 Ų106.367%0.6753%0.533SS*.Hα-helixtrans-60.8-41.8174.2-174.8175.3-175.81720111.6A48 I49 Q50 H56A48-K52 WeakPolarHBondContact O-CB 3.23Å; A48-K52 PolarHBondContact O-N 3.24Å; I49-K52 PolarHBondContact O-N 2.95Å; Q50-K52 VanDerWaalsContact C-N 3.35Å; K52-H56 VanDerWaalsContact O-CB 3.28Å; K52-H56 WeakPolarHBondContact O-CB 3.2Å; K52-H56 PolarHBondContact O-N 3.38Å
53H78.3Confident72.8Confident125 Ų125108.8 Ų108.858%0.57955%0.546SS*.Hα-helixtrans-67.4-38.5175.2-67.8177.1000112.3I49 Q50 N51 H56 R57I49-H53 PolarHBondContact O-CD2 3.41Å; I49-H53 VanDerWaalsContact O-CG 3.3Å; I49-H53 PolarHBondContact O-N 2.9Å; Q50-H53 PolarHBondContact O-N 2.88Å; N51-H53 VanDerWaalsContact C-N 3.3Å; N51-H53 PolarHBondContact O-N 3.47Å; H53-H56 PolarHBondContact O-N 2.94Å; H53-R57 VanDerWaalsContact O-CB 3.3Å; H53-R57 WeakPolarHBondContact O-CB 3.45Å; H53-R57 PolarHBondContact O-N 3.34Å
54L78.1Confident71Confident89 Ų89107 Ų10747%0.46655%0.547SS..Hα-helixtrans-67.1-47.1177.3-17561.7000111.5Q50 N51 H56 R57 M58Q50-L54 WeakPolarHBondContact O-CB 3.35Å; Q50-L54 PolarHBondContact O-N 3.36Å; N51-L54 PolarHBondContact O-N 3.08Å; L54-H56 VanDerWaalsContact C-N 3.3Å; L54-H56 PolarHBondContact O-N 3.43Å; L54-R57 PolarHBondContact O-N 2.85Å; L54-M58 HydrophobicContact CD1-CG 4.26Å; L54-M58 HydrophobicContact CG-CG 4.4Å; L54-M58 WeakPolarHBondContact O-CB 3.49Å; L54-M58 VanDerWaalsContact O-CG 3.27Å; L54-M58 WeakPolarHBondContact O-CG 3.38Å; L54-M58 PolarHBondContact O-N 3.15Å
55C69.4Low69.4Low82 Ų82106.9 Ų106.955%0.55456%0.556SS**Hα-helixtrans-60.7-39.3174.7-69.40000111.8N51 M58 S59N51-C55 WeakPolarHBondContact O-CB 3.41Å; N51-C55 PolarHBondContact O-N 3.49Å; N51-C55 PolarHBondContact O-SG 3.38Å; N51-C55 VanDerWaalsContact O-SG 3.32Å; C55-M58 PolarHBondContact O-N 3.5Å; C55-S59 WeakPolarHBondContact O-CB 3.43Å; C55-S59 PolarHBondContact O-N 3.01Å; C55-S59 PolarHBondContact O-OG 3.47Å
56H67.6Low67.6Low94 Ų94108.3 Ų108.344%0.43557%0.569SS.*Hα-helixtrans-66.7-39.8175.6-163.459.5000111.9K52 H53 L54 S60 A79K52-H56 VanDerWaalsContact O-CB 3.28Å; K52-H56 WeakPolarHBondContact O-CB 3.2Å; K52-H56 PolarHBondContact O-N 3.38Å; H53-H56 PolarHBondContact O-N 2.94Å; L54-H56 VanDerWaalsContact C-N 3.3Å; L54-H56 PolarHBondContact O-N 3.43Å; H56-S60 PolarHBondContact O-N 3.4Å; H56-S60 VanDerWaalsContact O-N 3.17Å; H56-A79 WeakPolarHBondContact CE1-CB 3.48Å; H56-A79 WeakPolarHBondContact ND1-CB 3.46Å
57R68.1Low65.9Low170 Ų170108.8 Ų108.864%0.64259%0.587SS**Hα-helixtrans-68.7-36.8175.8-175.6-175.2-70.4-176.8-3.4113.1H53 L54 S60 A61H53-R57 VanDerWaalsContact O-CB 3.3Å; H53-R57 WeakPolarHBondContact O-CB 3.45Å; H53-R57 PolarHBondContact O-N 3.34Å; L54-R57 PolarHBondContact O-N 2.85Å; R57-S60 PolarHBondContact O-N 2.95Å; R57-S60 PolarHBondContact O-OG 3.09Å; R57-A61 WeakPolarHBondContact O-CB 3.46Å; R57-A61 PolarHBondContact O-N 3.33Å
58M59.3Low64.2Low106 Ų106108.5 Ų108.552%0.52260%0.6SS.*Hα-helixtrans-73.3-35.9177.2-67.3-65.493.500111.8L54 C55 S60 A61 L62L54-M58 HydrophobicContact CD1-CG 4.26Å; L54-M58 HydrophobicContact CG-CG 4.4Å; L54-M58 WeakPolarHBondContact O-CB 3.49Å; L54-M58 VanDerWaalsContact O-CG 3.27Å; L54-M58 WeakPolarHBondContact O-CG 3.38Å; L54-M58 PolarHBondContact O-N 3.15Å; C55-M58 PolarHBondContact O-N 3.5Å; M58-S60 VanDerWaalsContact C-N 3.29Å; M58-S60 PolarHBondContact O-N 2.89Å; M58-A61 HydrophobicContact CE-CB 4.25Å; M58-A61 PolarHBondContact O-N 3.33Å; M58-L62 PolarHBondContact O-N 3.23Å
59S57.3Low62.5Low77 Ų77113.4 Ų113.454%0.53862%0.618SS.*Hα-helixtrans-63.6-35.6172.5-55.50000111.7C55C55-S59 WeakPolarHBondContact O-CB 3.43Å; C55-S59 PolarHBondContact O-N 3.01Å; C55-S59 PolarHBondContact O-OG 3.47Å
60S55.9Low60.7Low58 Ų58120.6 Ų120.641%0.40664%0.64SS.*Hα-helixtrans-79.3-21.4174.969.60000114.3H56 R57 M58 E63 S64H56-S60 PolarHBondContact O-N 3.4Å; H56-S60 VanDerWaalsContact O-N 3.17Å; R57-S60 PolarHBondContact O-N 2.95Å; R57-S60 PolarHBondContact O-OG 3.09Å; M58-S60 VanDerWaalsContact C-N 3.29Å; M58-S60 PolarHBondContact O-N 2.89Å; S60-E63 PolarHBondContact O-N 3.01Å; S60-S64 PolarHBondContact O-OG 3.44Å
61A56.5Low59.5Low49 Ų49120.3 Ų120.341%0.40565%0.65SS.*Hα-helixtrans-76.3-27.2-178.200000112.7R57 M58 E63R57-A61 WeakPolarHBondContact O-CB 3.46Å; R57-A61 PolarHBondContact O-N 3.33Å; M58-A61 HydrophobicContact CE-CB 4.25Å; M58-A61 PolarHBondContact O-N 3.33Å; A61-E63 VanDerWaalsContact C-N 3.27Å; A61-E63 PolarHBondContact O-N 2.96Å
62L52.7Low57.6Low165 Ų165125.5 Ų125.586%0.86468%0.676SS**THydrogen-bonded Turntrans-76.4-15175.3-159.667000112.9M58M58-L62 PolarHBondContact O-N 3.23Å
63E51.3Low55.7Low169 Ų169121.2 Ų121.279%0.7968%0.676SS**THydrogen-bonded Turntrans-95.80.6179.9-109.7177.2167.800114.4S60 A61S60-E63 PolarHBondContact O-N 3.01Å; A61-E63 VanDerWaalsContact C-N 3.27Å; A61-E63 PolarHBondContact O-N 2.96Å
64S45.9Very low54.5Low82 Ų82122.2 Ų122.257%0.57369%0.691SS**  trans-12664.1-176.4550000113.7S60S60-S64 PolarHBondContact O-OG 3.44Å
65V48Very low52.8Low137 Ų137122.5 Ų122.583%0.8370%0.7SS**  trans-111.768.3150.9-175.70000108.6
66T44.6Very low51.8Low134 Ų134124.8 Ų124.882%0.82271%0.711SS**  trans-142.6116.1147.448.80000107.6
67V47.4Very low50.7Low146 Ų146124.2 Ų124.289%0.88571%0.714SS**  trans-85118.7-179.51740000108.5
68S49.4Very low49.8Very low119 Ų119125.1 Ų125.183%0.83272%0.723SS**  trans-166.5135.7146.2-138.30000112.4
69D49.7Very low49.3Very low158 Ų158121.8 Ų121.885%0.84571%0.712SS**  trans-57.5127.2-172.4-73.2-68.3000116.9
70R48Very low49Very low231 Ų231127.5 Ų127.587%0.87273%0.73SS**  172.4155.1124.5-102.8-177.8-170.2-116.3-3.7113.4
71P58.4Low49Very low120 Ų120127.3 Ų127.378%0.77973%0.727SS**  trans-87.6112.1-17633.4-27.7000111
72L42.4Very low49.2Very low170 Ų170127.8 Ų127.889%0.8973%0.731SS**  trans-133.7145.6172.6-80.3168.6000111.5
73G41.2Very low49.8Very low64 Ų64125.5 Ų125.566%0.6673%0.725SS**  trans-54.4154.1-166.600000117.1S75G73-S75 PolarHBondContact O-N 2.95Å
74V52.8Low50.7Low147 Ų147123.8 Ų123.889%0.89172%0.717SS**  trans2887.1143-167.90000114.9
75S41.9Very low52.3Low95 Ų95125.4 Ų125.466%0.66472%0.716SS**  trans-117.1103153.664.10000108G73 T77G73-S75 PolarHBondContact O-N 2.95Å; S75-T77 PolarHBondContact O-N 3.39Å
76V48.7Very low54Low129 Ų129122.5 Ų122.578%0.78270%0.696SS**  trans-58.989.8160.2173.70000106.2K78V76-K78 PolarHBondContact O-N 3.27Å; V76-K78 VanDerWaalsContact O-N 3.12Å
77T44.6Very low56.2Low82 Ų82120.4 Ų120.450%0.50368%0.677SS.*  trans-69.1109.3167.342.80000105.8S75 A79S75-T77 PolarHBondContact O-N 3.39Å; T77-A79 PolarHBondContact O-N 3.05Å
78K49.1Very low58.4Low190 Ų190119.5 Ų119.583%0.82666%0.657SS**  trans-59.581.7159.4-70.6175.3-179174.90106.2V76 E80V76-K78 PolarHBondContact O-N 3.27Å; V76-K78 VanDerWaalsContact O-N 3.12Å; K78-E80 PolarHBondContact O-N 2.99Å
79A49.6Very low60.5Low36 Ų36118.9 Ų118.930%0.29864%0.639SS.*  trans-52.8126.7157.700000105.1H56 T77 V81H56-A79 WeakPolarHBondContact CE1-CB 3.48Å; H56-A79 WeakPolarHBondContact ND1-CB 3.46Å; T77-A79 PolarHBondContact O-N 3.05Å; A79-V81 PolarHBondContact O-N 3.43Å
80E51.3Low62.6Low197 Ų197117.7 Ų117.792%0.92163%0.627SS**  trans-57.684.9-178.8-62.7-170.3149.300109.3K78 A82K78-E80 PolarHBondContact O-N 2.99Å; E80-A82 PolarHBondContact O-N 3.39Å
81V56.2Low64.9Low54 Ų54114.9 Ų114.933%0.32762%0.616SS.*  trans-60.9120163.2170.60000103.7A79 E85 D86A79-V81 PolarHBondContact O-N 3.43Å; V81-E85 HydrophobicContact CG1-CB 3.29Å; V81-E85 HydrophobicContact CG1-CG 4.38Å; V81-D86 HydrophobicContact CG1-CB 4.43Å
82A59.8Low66.8Low59 Ų59116.9 Ų116.949%0.48861%0.608SS.*  trans-41130.3-17900000109.3E80 E84 E85E80-A82 PolarHBondContact O-N 3.39Å; A82-E84 CarbonylContact O-C 3.54Å; A82-E84 PolarHBondContact O-N 2.96Å; A82-E85 WeakPolarHBondContact O-CB 3.23Å; A82-E85 PolarHBondContact O-N 2.99Å
83P65.1Low69.4Low116 Ų116116.5 Ų116.575%0.75360%0.595SS**Hα-helixtrans-53.2-24-166.510.5-25.3000114.2E87P83-E87 PolarHBondContact O-N 3.29Å
84E70.8Confident72.1Confident134 Ų134117.9 Ų117.963%0.62658%0.584SS**Hα-helixtrans-66.8-39.7172.1-159.7-159.4139.700114.3A82 R88A82-E84 CarbonylContact O-C 3.54Å; A82-E84 PolarHBondContact O-N 2.96Å; E84-R88 WeakPolarHBondContact O-CB 3.34Å; E84-R88 PolarHBondContact O-N 2.95Å; E84-R88 IonicContact OE1-NH2 3.08Å; E84-R88 PolarHBondContact OE1-NH2 3.4Å; E84-R88 VanDerWaalsContact OE1-NH2 3.08Å
85E78.6Confident74.3Confident116 Ų116118.7 Ų118.754%0.54257%0.571SS.*Hα-helixtrans-69.6-35.7178.7-76.9-158.4155.700112.1V81 A82 R88 K89V81-E85 HydrophobicContact CG1-CB 3.29Å; V81-E85 HydrophobicContact CG1-CG 4.38Å; A82-E85 WeakPolarHBondContact O-CB 3.23Å; A82-E85 PolarHBondContact O-N 2.99Å; E85-R88 PolarHBondContact O-N 2.98Å; E85-K89 WeakPolarHBondContact O-CB 3.39Å; E85-K89 PolarHBondContact O-N 2.99Å
86D84.9Confident76.9Confident76 Ų76119.6 Ų119.641%0.40657%0.569SS.*Hα-helixtrans-68.7-40.1176.9-97-9.3000112V81 K89 K90V81-D86 HydrophobicContact CG1-CB 4.43Å; D86-K89 WeakPolarHBondContact O-CB 3.27Å; D86-K89 PolarHBondContact O-N 3.35Å; D86-K90 WeakPolarHBondContact O-CB 2.97Å; D86-K90 PolarHBondContact O-N 2.95Å
87E90.9Very high79.3Confident90 Ų90119.9 Ų119.942%0.42156%0.559SS.*Hα-helixtrans-64.4-40.7172.2-79.6-61.3139.400111.8P83 K89 K90 R91P83-E87 PolarHBondContact O-N 3.29Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 2.93Å; E87-K90 PolarHBondContact O-N 3.15Å; E87-K90 IonicContact OE1-NZ 3.8Å; E87-R91 WeakPolarHBondContact O-CG 3.3Å; E87-R91 PolarHBondContact O-N 3.47Å
88R92.6Very high81.9Confident127 Ų127120.8 Ų120.848%0.47956%0.56SS.*Hα-helixtrans-60.2-41.7173.6-171.5-178.3-65.5179.21111.5E84 E85 R92E84-R88 WeakPolarHBondContact O-CB 3.34Å; E84-R88 PolarHBondContact O-N 2.95Å; E84-R88 IonicContact OE1-NH2 3.08Å; E84-R88 PolarHBondContact OE1-NH2 3.4Å; E84-R88 VanDerWaalsContact OE1-NH2 3.08Å; E85-R88 PolarHBondContact O-N 2.98Å; R88-R92 WeakPolarHBondContact O-CG 3.37Å; R88-R92 PolarHBondContact O-N 3.37Å; R88-R92 VanDerWaalsContact O-N 3.08Å
89K94.1Very high84.2Confident105 Ų105114.4 Ų114.446%0.45754%0.543SS..Hα-helixtrans-65.6-42.6176.5-168-178.3-169179.80111.6E85 D86 E87 R92 R93E85-K89 WeakPolarHBondContact O-CB 3.39Å; E85-K89 PolarHBondContact O-N 2.99Å; D86-K89 WeakPolarHBondContact O-CB 3.27Å; D86-K89 PolarHBondContact O-N 3.35Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 2.93Å; K89-R92 PolarHBondContact O-N 3.43Å; K89-R93 VanDerWaalsContact CE-NH2 3.33Å; K89-R93 WeakPolarHBondContact O-CG 3.47Å; K89-R93 PolarHBondContact O-N 3.12Å
90K94.6Very high86.6Confident133 Ų133114.4 Ų114.458%0.57854%0.543SS*.Hα-helixtrans-60.4-47.5176-172.1-178.9178.4-174.70111.5D86 E87 R92 R93 E94D86-K90 WeakPolarHBondContact O-CB 2.97Å; D86-K90 PolarHBondContact O-N 2.95Å; E87-K90 PolarHBondContact O-N 3.15Å; E87-K90 IonicContact OE1-NZ 3.8Å; K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 3.36Å; K90-R93 PolarHBondContact O-N 2.98Å; K90-E94 PolarHBondContact O-N 2.8Å
91R95.6Very high88.8Confident173 Ų173107.3 Ų107.365%0.65352%0.518SS*.Hα-helixtrans-60.9-36174.9-68.4-177.7-168.9-163.54.3112.9E87 R95E87-R91 WeakPolarHBondContact O-CG 3.3Å; E87-R91 PolarHBondContact O-N 3.47Å; R91-R95 WeakPolarHBondContact O-CG 3.5Å; R91-R95 PolarHBondContact O-N 3.42Å; R91-R95 VanDerWaalsContact O-N 3.13Å; R91-R95 PolarHBondContact O-NE 3.1Å
92R97.5Very high90.9Very high161 Ų161112.1 Ų112.161%0.60853%0.534SS*.Hα-helixtrans-67.1-44.2174.2-76.3-179.5178.8-174.90.6111.9R88 K89 K90 R95 N96R88-R92 WeakPolarHBondContact O-CG 3.37Å; R88-R92 PolarHBondContact O-N 3.37Å; R88-R92 VanDerWaalsContact O-N 3.08Å; K89-R92 PolarHBondContact O-N 3.43Å; K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 3.36Å; R92-R95 PolarHBondContact O-N 3.15Å; R92-N96 WeakPolarHBondContact O-CB 3.3Å; R92-N96 PolarHBondContact O-N 2.92Å
93R97.8Very high92.7Very high162 Ų162113.6 Ų113.661%0.61154%0.54SS*.Hα-helixtrans-62.7-43176.6-69.5-179-165.5-129.415.3111.9K89 K90 N96 K97K89-R93 VanDerWaalsContact CE-NH2 3.33Å; K89-R93 WeakPolarHBondContact O-CG 3.47Å; K89-R93 PolarHBondContact O-N 3.12Å; K90-R93 PolarHBondContact O-N 2.98Å; R93-N96 PolarHBondContact O-N 3.31Å; R93-K97 WeakPolarHBondContact O-CB 3.45Å; R93-K97 PolarHBondContact O-N 3.46Å
94E97.6Very high94.3Very high93 Ų93117 Ų11744%0.43554%0.538SS..Hα-helixtrans-64.5-43.2179-166.257.6-145.600111.3K90 N96 K97 I98K90-E94 PolarHBondContact O-N 2.8Å; E94-N96 PolarHBondContact O-N 2.91Å; E94-K97 WeakPolarHBondContact O-CB 3.36Å; E94-K97 PolarHBondContact O-N 2.96Å; E94-K97 IonicContact OE1-NZ 3.78Å; E94-I98 HydrophobicContact CG-CD1 4.38Å; E94-I98 WeakPolarHBondContact O-CG1 3.48Å; E94-I98 PolarHBondContact O-N 3.35Å
95R98.4Very high95.6Very high165 Ų165114.9 Ų114.962%0.62353%0.531SS*.Hα-helixtrans-59.4-43.9172.4-76.6-172.8-72.5174-5.9112.5R91 R92 I98 A99R91-R95 WeakPolarHBondContact O-CG 3.5Å; R91-R95 PolarHBondContact O-N 3.42Å; R91-R95 VanDerWaalsContact O-N 3.13Å; R91-R95 PolarHBondContact O-NE 3.1Å; R92-R95 PolarHBondContact O-N 3.15Å; R95-I98 PolarHBondContact O-N 3.33Å; R95-A99 WeakPolarHBondContact O-CB 3.47Å; R95-A99 PolarHBondContact O-N 3.44Å
96N98.1Very high96.6Very high114 Ų114116.6 Ų116.661%0.6154%0.536SS*.Hα-helixtrans-66.1-38.2177.7-177.4-100000112.1R92 R93 E94 A99 A100R92-N96 WeakPolarHBondContact O-CB 3.3Å; R92-N96 PolarHBondContact O-N 2.92Å; R93-N96 PolarHBondContact O-N 3.31Å; E94-N96 PolarHBondContact O-N 2.91Å; N96-A99 PolarHBondContact O-N 2.93Å; N96-A100 VanDerWaalsContact O-CB 3.31Å; N96-A100 WeakPolarHBondContact O-CB 3.39Å; N96-A100 PolarHBondContact O-N 2.98Å
97K98.5Very high97.2Very high134 Ų134120.4 Ų120.458%0.58355%0.549SS*.Hα-helixtrans-59.2-47.3174.7-177.7-175.4174.2-165.30111R93 E94 A100 A101R93-K97 WeakPolarHBondContact O-CB 3.45Å; R93-K97 PolarHBondContact O-N 3.46Å; E94-K97 WeakPolarHBondContact O-CB 3.36Å; E94-K97 PolarHBondContact O-N 2.96Å; E94-K97 IonicContact OE1-NZ 3.78Å; K97-A100 PolarHBondContact O-N 3.44Å; K97-A101 WeakPolarHBondContact O-CB 3.33Å; K97-A101 PolarHBondContact O-N 3.15Å
98I98.4Very high97.6Very high102 Ų102122.2 Ų122.252%0.52356%0.556SS.*Hα-helixtrans-63.9-44.7175.9-63.8164.8000110.7E94 R95 A100 A101 K102E94-I98 HydrophobicContact CG-CD1 4.38Å; E94-I98 WeakPolarHBondContact O-CG1 3.48Å; E94-I98 PolarHBondContact O-N 3.35Å; R95-I98 PolarHBondContact O-N 3.33Å; I98-A100 PolarHBondContact O-N 3.43Å; I98-A101 PolarHBondContact O-N 2.85Å; I98-K102 WeakPolarHBondContact O-CB 3.2Å; I98-K102 PolarHBondContact O-N 2.86Å
99A98.6Very high97.9Very high55 Ų55121.9 Ų121.946%0.45556%0.56SS.*Hα-helixtrans-62.7-41.7179.100000112.4R95 N96 K102 C103R95-A99 WeakPolarHBondContact O-CB 3.47Å; R95-A99 PolarHBondContact O-N 3.44Å; N96-A99 PolarHBondContact O-N 2.93Å; A99-K102 PolarHBondContact O-N 2.69Å; A99-C103 WeakPolarHBondContact O-CB 3.36Å; A99-C103 PolarHBondContact O-N 3.44Å
100A98.6Very high98.1Very high37 Ų37123.8 Ų123.831%0.30657%0.568SS.*Hα-helixtrans-64.9-43.5176.100000111.5N96 K97 I98 C103 R104N96-A100 VanDerWaalsContact O-CB 3.31Å; N96-A100 WeakPolarHBondContact O-CB 3.39Å; N96-A100 PolarHBondContact O-N 2.98Å; K97-A100 PolarHBondContact O-N 3.44Å; I98-A100 PolarHBondContact O-N 3.43Å; A100-C103 PolarHBondContact O-N 3.49Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.38Å; A100-R104 PolarHBondContact O-N 3.02Å
101A98.6Very high98.3Very high47 Ų47121.5 Ų121.539%0.38857%0.565SS.*Hα-helixtrans-60.9-45.9174.100000111.4K97 I98 C103 R104 N105K97-A101 WeakPolarHBondContact O-CB 3.33Å; K97-A101 PolarHBondContact O-N 3.15Å; I98-A101 PolarHBondContact O-N 2.85Å; A101-C103 VanDerWaalsContact C-N 3.35Å; A101-C103 PolarHBondContact O-N 3.47Å; A101-R104 PolarHBondContact O-N 3.5Å; A101-N105 WeakPolarHBondContact O-CB 3.33Å; A101-N105 PolarHBondContact O-N 3.48Å; A101-N105 PolarHBondContact O-OD1 2.96Å
102K98.8Very high98.5Very high156 Ų156117.1 Ų117.168%0.67855%0.552SS**Hα-helixtrans-62.6-39.9177-170174-176.3175.60112.3I98 A99 N105 K106I98-K102 WeakPolarHBondContact O-CB 3.2Å; I98-K102 PolarHBondContact O-N 2.86Å; A99-K102 PolarHBondContact O-N 2.69Å; K102-N105 PolarHBondContact O-N 2.9Å; K102-K106 VanDerWaalsContact O-CB 3.27Å; K102-K106 WeakPolarHBondContact O-CB 3.42Å; K102-K106 PolarHBondContact O-N 3.04Å
103C98.7Very high98.5Very high89 Ų89113.2 Ų113.260%0.60155%0.549SS*.Hα-helixtrans-63-46.6175.6-177.50000111.5A99 A100 A101 K106 K107A99-C103 WeakPolarHBondContact O-CB 3.36Å; A99-C103 PolarHBondContact O-N 3.44Å; A100-C103 PolarHBondContact O-N 3.49Å; A101-C103 VanDerWaalsContact C-N 3.35Å; A101-C103 PolarHBondContact O-N 3.47Å; C103-K106 PolarHBondContact O-N 2.98Å; C103-K107 WeakPolarHBondContact O-CB 2.74Å; C103-K107 PolarHBondContact O-N 3.33Å
104R98.7Very high98.6Very high188 Ų188110.2 Ų110.271%0.70954%0.544SS*.Hα-helixtrans-61.6-46.3176.1-71.4173.4-178.8177.4-0111.7A100 A101 K107 K108A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.38Å; A100-R104 PolarHBondContact O-N 3.02Å; A101-R104 PolarHBondContact O-N 3.5Å; R104-K107 PolarHBondContact O-N 3.43Å; R104-K108 WeakPolarHBondContact O-CB 3.34Å; R104-K108 PolarHBondContact O-N 3.5Å
105N98.6Very high98.6Very high90 Ų90110.7 Ų110.748%0.48155%0.546SS..Hα-helixtrans-63.8-46.7178.5-73.44.6000111.5A101 K102 K107 K108 E109A101-N105 WeakPolarHBondContact O-CB 3.33Å; A101-N105 PolarHBondContact O-N 3.48Å; A101-N105 PolarHBondContact O-OD1 2.96Å; K102-N105 PolarHBondContact O-N 2.9Å; N105-K107 VanDerWaalsContact C-N 3.27Å; N105-K107 PolarHBondContact O-N 2.98Å; N105-K108 CarbonylContact O-C 3.59Å; N105-K108 WeakPolarHBondContact O-CB 3.43Å; N105-K108 PolarHBondContact O-N 3.4Å; N105-K108 VanDerWaalsContact O-N 3.08Å; N105-E109 WeakPolarHBondContact O-CB 3.39Å; N105-E109 WeakPolarHBondContact O-CG 3.31Å; N105-E109 PolarHBondContact O-N 3.34Å
106K98.8Very high98.6Very high152 Ų152109.4 Ų109.466%0.66155%0.545SS*.Hα-helixtrans-59.7-38.3177.1-172.7174.6-176.11790112.2K102 C103 K110K102-K106 VanDerWaalsContact O-CB 3.27Å; K102-K106 WeakPolarHBondContact O-CB 3.42Å; K102-K106 PolarHBondContact O-N 3.04Å; C103-K106 PolarHBondContact O-N 2.98Å; K106-K110 WeakPolarHBondContact O-CB 3.48Å; K106-K110 PolarHBondContact O-N 2.94Å
107K98.7Very high98.6Very high155 Ų155109.1 Ų109.167%0.67454%0.54SS*.Hα-helixtrans-65.3-46.4174.3-172.6176.8-179.2-179.40111C103 R104 N105 K110 T111C103-K107 WeakPolarHBondContact O-CB 2.74Å; C103-K107 PolarHBondContact O-N 3.33Å; R104-K107 PolarHBondContact O-N 3.43Å; N105-K107 VanDerWaalsContact C-N 3.27Å; N105-K107 PolarHBondContact O-N 2.98Å; K107-K110 PolarHBondContact O-N 3.41Å; K107-T111 PolarHBondContact O-N 2.92Å; K107-T111 PolarHBondContact O-OG1 2.93Å
108K98.7Very high98.7Very high128 Ų128105 Ų10556%0.55753%0.529SS*.Hα-helixtrans-59.9-51.7177.7-179.7175.8170.1178.60111.6R104 N105 K110 T111 E112R104-K108 WeakPolarHBondContact O-CB 3.34Å; R104-K108 PolarHBondContact O-N 3.5Å; N105-K108 CarbonylContact O-C 3.59Å; N105-K108 WeakPolarHBondContact O-CB 3.43Å; N105-K108 PolarHBondContact O-N 3.4Å; N105-K108 VanDerWaalsContact O-N 3.08Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K108-K110 PolarHBondContact O-N 3.21Å; K108-T111 PolarHBondContact O-N 3.38Å; K108-T111 VanDerWaalsContact O-N 3.13Å; K108-E112 WeakPolarHBondContact CE-OE1 3.45Å; K108-E112 HydrophobicContact CG-CG 4.38Å; K108-E112 WeakPolarHBondContact CG-OE1 3.32Å; K108-E112 IonicContact NZ-OE1 3.92Å; K108-E112 WeakPolarHBondContact O-CG 3.38Å; K108-E112 PolarHBondContact O-N 3.36Å
109E98.7Very high98.7Very high120 Ų120105 Ų10556%0.56153%0.526SS*.Hα-helixtrans-57.3-42.8177.1-72.7167.4-166.700112N105 E112 C113N105-E109 WeakPolarHBondContact O-CB 3.39Å; N105-E109 WeakPolarHBondContact O-CG 3.31Å; N105-E109 PolarHBondContact O-N 3.34Å; E109-E112 PolarHBondContact O-N 3.18Å; E109-C113 VanDerWaalsContact O-CB 3.29Å; E109-C113 WeakPolarHBondContact O-CB 3.46Å; E109-C113 PolarHBondContact O-N 3.18Å
110K98.7Very high98.7Very high145 Ų145109.4 Ų109.463%0.6354%0.535SS*.Hα-helixtrans-61.6-46.2176.1-175.5177.7-179.3-178.80111.4K106 K107 K108 C113 L114K106-K110 WeakPolarHBondContact O-CB 3.48Å; K106-K110 PolarHBondContact O-N 2.94Å; K107-K110 PolarHBondContact O-N 3.41Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K108-K110 PolarHBondContact O-N 3.21Å; K110-C113 PolarHBondContact O-N 3.13Å; K110-L114 HydrophobicContact CG-CD1 4.37Å; K110-L114 WeakPolarHBondContact O-CG 3.49Å; K110-L114 PolarHBondContact O-N 3.36Å; K110-L114 VanDerWaalsContact O-N 3.11Å
111T98.6Very high98.7Very high85 Ų85112.9 Ų112.952%0.52155%0.548SS..Hα-helixtrans-64.7-43.2178.3-61.90000111.5K107 K108 C113 L114 Q115K107-T111 PolarHBondContact O-N 2.92Å; K107-T111 PolarHBondContact O-OG1 2.93Å; K108-T111 PolarHBondContact O-N 3.38Å; K108-T111 VanDerWaalsContact O-N 3.13Å; T111-C113 VanDerWaalsContact C-N 3.34Å; T111-C113 PolarHBondContact O-N 3.03Å; T111-L114 PolarHBondContact O-N 2.84Å; T111-Q115 WeakPolarHBondContact O-CB 3.47Å; T111-Q115 PolarHBondContact O-N 3.11Å
112E98.7Very high98.7Very high82 Ų82116.4 Ų116.438%0.38356%0.557SS.*Hα-helixtrans-63.7-38.6176.8-73.7177.1-179.500112.4K108 E109 Q115 K116K108-E112 WeakPolarHBondContact CE-OE1 3.45Å; K108-E112 HydrophobicContact CG-CG 4.38Å; K108-E112 WeakPolarHBondContact CG-OE1 3.32Å; K108-E112 IonicContact NZ-OE1 3.92Å; K108-E112 WeakPolarHBondContact O-CG 3.38Å; K108-E112 PolarHBondContact O-N 3.36Å; E109-E112 PolarHBondContact O-N 3.18Å; E112-Q115 PolarHBondContact O-N 3.43Å; E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 VanDerWaalsContact O-CG 3.31Å; E112-K116 WeakPolarHBondContact O-CG 3.47Å; E112-K116 PolarHBondContact O-N 3.41Å
113C98.6Very high98.7Very high79 Ų79112.6 Ų112.653%0.53455%0.55SS..Hα-helixtrans-61.8-49.8175.8-170.90000111.1E109 K110 T111 Q115 K116 E117E109-C113 VanDerWaalsContact O-CB 3.29Å; E109-C113 WeakPolarHBondContact O-CB 3.46Å; E109-C113 PolarHBondContact O-N 3.18Å; K110-C113 PolarHBondContact O-N 3.13Å; T111-C113 VanDerWaalsContact C-N 3.34Å; T111-C113 PolarHBondContact O-N 3.03Å; C113-Q115 VanDerWaalsContact C-N 3.31Å; C113-Q115 PolarHBondContact O-N 3.47Å; C113-K116 PolarHBondContact O-N 2.95Å; C113-E117 WeakPolarHBondContact O-CB 3.48Å; C113-E117 PolarHBondContact O-N 2.92Å
114L98.8Very high98.7Very high99 Ų99111.3 Ų111.352%0.51854%0.539SS..Hα-helixtrans-61.8-39.8177.8-69.1172.3000112K110 T111 E117 S118K110-L114 HydrophobicContact CG-CD1 4.37Å; K110-L114 WeakPolarHBondContact O-CG 3.49Å; K110-L114 PolarHBondContact O-N 3.36Å; K110-L114 VanDerWaalsContact O-N 3.11Å; T111-L114 PolarHBondContact O-N 2.84Å; L114-E117 PolarHBondContact O-N 3.38Å; L114-S118 PolarHBondContact O-N 3.32Å
115Q98.7Very high98.7Very high102 Ų102106.1 Ų106.148%0.47753%0.525SS..Hα-helixtrans-63.2-47.8177.8-176.460.733.500111.3T111 E112 C113 E117 S118 E119T111-Q115 WeakPolarHBondContact O-CB 3.47Å; T111-Q115 PolarHBondContact O-N 3.11Å; E112-Q115 PolarHBondContact O-N 3.43Å; C113-Q115 VanDerWaalsContact C-N 3.31Å; C113-Q115 PolarHBondContact O-N 3.47Å; Q115-E117 VanDerWaalsContact C-N 3.3Å; Q115-E117 PolarHBondContact O-N 3.43Å; Q115-S118 WeakPolarHBondContact O-CB 3.36Å; Q115-S118 PolarHBondContact O-N 2.87Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.31Å; Q115-E119 PolarHBondContact NE2-OE1 3.29Å; Q115-E119 WeakPolarHBondContact O-CG 3.44Å; Q115-E119 PolarHBondContact O-N 2.79Å
116K98.8Very high98.7Very high138 Ų138104.7 Ų104.760%0.653%0.526SS*.Hα-helixtrans-61.9-38.3176.6-73.1174.7-178.3178.30112.4E112 C113 K120E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 VanDerWaalsContact O-CG 3.31Å; E112-K116 WeakPolarHBondContact O-CG 3.47Å; E112-K116 PolarHBondContact O-N 3.41Å; C113-K116 PolarHBondContact O-N 2.95Å; K116-K120 WeakPolarHBondContact O-CB 3.29Å; K116-K120 PolarHBondContact O-N 3.16Å
117E98.6Very high98.7Very high109 Ų109102.7 Ų102.751%0.50952%0.519SS..Hα-helixtrans-65.5-42.9175.9-172.7173.5-170.100111.3C113 L114 Q115 K120 L121C113-E117 WeakPolarHBondContact O-CB 3.48Å; C113-E117 PolarHBondContact O-N 2.92Å; L114-E117 PolarHBondContact O-N 3.38Å; Q115-E117 VanDerWaalsContact C-N 3.3Å; Q115-E117 PolarHBondContact O-N 3.43Å; E117-K120 PolarHBondContact O-N 3.01Å; E117-L121 HydrophobicContact CG-CD1 4.23Å; E117-L121 WeakPolarHBondContact O-CB 3.27Å; E117-L121 WeakPolarHBondContact O-CG 3.43Å; E117-L121 PolarHBondContact O-N 3.18Å
118S98.8Very high98.7Very high48 Ų4899.5 Ų99.534%0.33651%0.509SS..Hα-helixtrans-57.9-52173.8-162.80000111.5L114 Q115 K120 L121 E122L114-S118 PolarHBondContact O-N 3.32Å; Q115-S118 WeakPolarHBondContact O-CB 3.36Å; Q115-S118 PolarHBondContact O-N 2.87Å; S118-K120 VanDerWaalsContact C-N 3.3Å; S118-K120 PolarHBondContact O-N 3.25Å; S118-L121 PolarHBondContact O-N 3.38Å; S118-L121 VanDerWaalsContact O-N 3.15Å; S118-E122 WeakPolarHBondContact O-CB 3.35Å; S118-E122 WeakPolarHBondContact O-CG 3.42Å; S118-E122 PolarHBondContact O-N 3.07Å; S118-E122 PolarHBondContact OG-OE1 3.35Å
119E98.8Very high98.7Very high100 Ų10099.7 Ų99.747%0.46751%0.509SS..Hα-helixtrans-58.9-42179.5-72.1166.9-168.400111.8Q115 E122 S123Q115-E119 WeakPolarHBondContact CG-OE1 3.31Å; Q115-E119 PolarHBondContact NE2-OE1 3.29Å; Q115-E119 WeakPolarHBondContact O-CG 3.44Å; Q115-E119 PolarHBondContact O-N 2.79Å; E119-E122 PolarHBondContact O-N 3.08Å; E119-S123 WeakPolarHBondContact O-CB 3.4Å; E119-S123 PolarHBondContact O-N 3.32Å
120K98.8Very high98.7Very high149 Ų14996.5 Ų96.565%0.64850%0.504SS*.Hα-helixtrans-62.6-47.2175.9-176.8-178.2177.8-175.50111.4K116 E117 S118 E122 S123 V124K116-K120 WeakPolarHBondContact O-CB 3.29Å; K116-K120 PolarHBondContact O-N 3.16Å; E117-K120 PolarHBondContact O-N 3.01Å; S118-K120 VanDerWaalsContact C-N 3.3Å; S118-K120 PolarHBondContact O-N 3.25Å; K120-E122 VanDerWaalsContact C-N 3.34Å; K120-S123 PolarHBondContact O-N 2.99Å; K120-V124 WeakPolarHBondContact O-CG2 3.44Å; K120-V124 PolarHBondContact O-N 3.36Å
121L98.8Very high98.7Very high109 Ų10993.7 Ų93.757%0.57149%0.493SS*.Hα-helixtrans-64.9-38.8179.5-72.3173.8000111.6E117 S118 V124 N125E117-L121 HydrophobicContact CG-CD1 4.23Å; E117-L121 WeakPolarHBondContact O-CB 3.27Å; E117-L121 WeakPolarHBondContact O-CG 3.43Å; E117-L121 PolarHBondContact O-N 3.18Å; S118-L121 PolarHBondContact O-N 3.38Å; S118-L121 VanDerWaalsContact O-N 3.15Å; L121-V124 PolarHBondContact O-N 3.46Å; L121-N125 WeakPolarHBondContact O-CB 3.35Å; L121-N125 PolarHBondContact O-N 3.15Å
122E98.7Very high98.7Very high122 Ų12294 Ų9457%0.5749%0.49SS*.Hα-helixtrans-62.1-44.8174.5-75.3169-149.200111.6S118 E119 K120 N125 A126S118-E122 WeakPolarHBondContact O-CB 3.35Å; S118-E122 WeakPolarHBondContact O-CG 3.42Å; S118-E122 PolarHBondContact O-N 3.07Å; S118-E122 PolarHBondContact OG-OE1 3.35Å; E119-E122 PolarHBondContact O-N 3.08Å; K120-E122 VanDerWaalsContact C-N 3.34Å; E122-N125 PolarHBondContact O-N 3.47Å; E122-A126 WeakPolarHBondContact O-CB 3.16Å; E122-A126 PolarHBondContact O-N 2.81Å
123S98.7Very high98.7Very high76 Ų7696 Ų9653%0.53150%0.499SS..Hα-helixtrans-60-49.5175.4-175.20000111.8E119 K120 N125 A126 E127E119-S123 WeakPolarHBondContact O-CB 3.4Å; E119-S123 PolarHBondContact O-N 3.32Å; K120-S123 PolarHBondContact O-N 2.99Å; S123-N125 VanDerWaalsContact C-N 3.3Å; S123-N125 PolarHBondContact O-N 2.97Å; S123-A126 PolarHBondContact O-N 3.5Å; S123-E127 PolarHBondContact O-N 3.43Å
124V98.7Very high98.7Very high62 Ų6298.6 Ų98.638%0.37650%0.504SS..Hα-helixtrans-63.8-38.3179.1172.90000110.8K120 L121 E127 L128K120-V124 WeakPolarHBondContact O-CG2 3.44Å; K120-V124 PolarHBondContact O-N 3.36Å; L121-V124 PolarHBondContact O-N 3.46Å; V124-E127 PolarHBondContact O-N 2.86Å; V124-L128 HydrophobicContact CG1-CD1 3.93Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CB 3.48Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 3.46Å
125N98.7Very high98.7Very high79 Ų7999 Ų9942%0.42251%0.506SS..Hα-helixtrans-63.8-43.7176.9-169.1-67.8000111.7L121 E122 S123 L128 K129L121-N125 WeakPolarHBondContact O-CB 3.35Å; L121-N125 PolarHBondContact O-N 3.15Å; E122-N125 PolarHBondContact O-N 3.47Å; S123-N125 VanDerWaalsContact C-N 3.3Å; S123-N125 PolarHBondContact O-N 2.97Å; N125-L128 PolarHBondContact O-N 2.86Å; N125-K129 WeakPolarHBondContact O-CB 3.47Å; N125-K129 WeakPolarHBondContact O-CG 3.16Å; N125-K129 PolarHBondContact O-N 3.38Å; N125-K129 VanDerWaalsContact OD1-CD 3.3Å; N125-K129 WeakPolarHBondContact OD1-CD 3.43Å; N125-K129 WeakPolarHBondContact OD1-CE 3.35Å; N125-K129 PolarHBondContact OD1-NZ 2.99Å
126A98.8Very high98.7Very high60 Ų60100.1 Ų100.150%0.49651%0.509SS..Hα-helixtrans-62.2-44.3176.300000111.5E122 S123 K129 A130E122-A126 WeakPolarHBondContact O-CB 3.16Å; E122-A126 PolarHBondContact O-N 2.81Å; S123-A126 PolarHBondContact O-N 3.5Å; A126-K129 PolarHBondContact O-N 2.85Å; A126-A130 PolarHBondContact O-N 3.28Å
127E98.8Very high98.7Very high110 Ų11097.7 Ų97.751%0.51450%0.503SS..Hα-helixtrans-61.1-49.2176.6-174.5-179.217700112S123 V124 K129 A130 Q131S123-E127 PolarHBondContact O-N 3.43Å; V124-E127 PolarHBondContact O-N 2.86Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.48Å; E127-A130 WeakPolarHBondContact O-CB 3.48Å; E127-A130 PolarHBondContact O-N 3.12Å; E127-A130 VanDerWaalsContact O-N 3.15Å; E127-Q131 WeakPolarHBondContact O-CG 3.27Å; E127-Q131 PolarHBondContact O-N 3.23Å; E127-Q131 PolarHBondContact OE1-NE2 2.88Å
128L98.8Very high98.7Very high88 Ų8897.8 Ų97.846%0.46150%0.503SS..Hα-helixtrans-62-38178.1-71.5173.2000112.1V124 N125 Q131 I132V124-L128 HydrophobicContact CG1-CD1 3.93Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CB 3.48Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 3.46Å; N125-L128 PolarHBondContact O-N 2.86Å; L128-Q131 PolarHBondContact O-N 3.27Å; L128-I132 WeakPolarHBondContact O-CD1 3.42Å; L128-I132 VanDerWaalsContact O-CG1 3.23Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 2.91Å
129K98.6Very high98.6Very high131 Ų131101.9 Ų101.957%0.5752%0.515SS*.Hα-helixtrans-63.3-42.3174.4-79.9172.3173.9159.40111.9N125 A126 E127 I132 E133N125-K129 WeakPolarHBondContact O-CB 3.47Å; N125-K129 WeakPolarHBondContact O-CG 3.16Å; N125-K129 PolarHBondContact O-N 3.38Å; N125-K129 VanDerWaalsContact OD1-CD 3.3Å; N125-K129 WeakPolarHBondContact OD1-CD 3.43Å; N125-K129 WeakPolarHBondContact OD1-CE 3.35Å; N125-K129 PolarHBondContact OD1-NZ 2.99Å; A126-K129 PolarHBondContact O-N 2.85Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.48Å; K129-I132 PolarHBondContact O-N 3.13Å; K129-E133 PolarHBondContact O-N 3.41Å
130A98.7Very high98.5Very high54 Ų54103.2 Ų103.245%0.44652%0.521SS..Hα-helixtrans-62.6-45.3176.100000111.3A126 E127 I132 E133 E134A126-A130 PolarHBondContact O-N 3.28Å; E127-A130 WeakPolarHBondContact O-CB 3.48Å; E127-A130 PolarHBondContact O-N 3.12Å; E127-A130 VanDerWaalsContact O-N 3.15Å; A130-I132 VanDerWaalsContact C-N 3.33Å; A130-I132 PolarHBondContact O-N 2.8Å; A130-E133 PolarHBondContact O-N 2.99Å; A130-E133 VanDerWaalsContact O-N 3.15Å; A130-E134 WeakPolarHBondContact O-CB 3.26Å; A130-E134 PolarHBondContact O-N 3.25Å
131Q98.8Very high98.5Very high86 Ų86101.2 Ų101.240%0.40251%0.514SS..Hα-helixtrans-61.2-40.3175.7-68.9177.914.800112.1E127 L128 E133 E134 L135E127-Q131 WeakPolarHBondContact O-CG 3.27Å; E127-Q131 PolarHBondContact O-N 3.23Å; E127-Q131 PolarHBondContact OE1-NE2 2.88Å; L128-Q131 PolarHBondContact O-N 3.27Å; Q131-E133 VanDerWaalsContact C-N 3.32Å; Q131-E133 PolarHBondContact O-N 2.82Å; Q131-E134 PolarHBondContact O-N 2.95Å; Q131-L135 WeakPolarHBondContact O-CB 2.97Å; Q131-L135 VanDerWaalsContact O-CG 3.27Å; Q131-L135 WeakPolarHBondContact O-CG 3.26Å; Q131-L135 PolarHBondContact O-N 3.45Å
132I98.6Very high98.4Very high90 Ų90100.2 Ų100.246%0.46251%0.509SS..Hα-helixtrans-61.7-42.4175.1-72.2164.5000111L128 K129 A130 K136L128-I132 WeakPolarHBondContact O-CD1 3.42Å; L128-I132 VanDerWaalsContact O-CG1 3.23Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 2.91Å; K129-I132 PolarHBondContact O-N 3.13Å; A130-I132 VanDerWaalsContact C-N 3.33Å; A130-I132 PolarHBondContact O-N 2.8Å; I132-K136 HydrophobicContact CG2-CD 4.07Å; I132-K136 WeakPolarHBondContact O-CB 3.35Å; I132-K136 VanDerWaalsContact O-CG 3.23Å; I132-K136 WeakPolarHBondContact O-CG 3.43Å; I132-K136 PolarHBondContact O-N 2.91Å
133E98.7Very high98.1Very high124 Ų12498 Ų9858%0.57950%0.5SS*.Hα-helixtrans-66.5-44.6178.6-174.6170.9-168.800111.7K129 A130 Q131 K136 N137K129-E133 PolarHBondContact O-N 3.41Å; A130-E133 PolarHBondContact O-N 2.99Å; A130-E133 VanDerWaalsContact O-N 3.15Å; Q131-E133 VanDerWaalsContact C-N 3.32Å; Q131-E133 PolarHBondContact O-N 2.82Å; E133-K136 WeakPolarHBondContact O-CB 3.38Å; E133-K136 PolarHBondContact O-N 2.7Å; E133-N137 VanDerWaalsContact O-CG 3.24Å; E133-N137 PolarHBondContact O-N 3.17Å; E133-N137 PolarHBondContact O-ND2 3.12Å
134E98.7Very high97.9Very high134 Ų134101.4 Ų101.463%0.62650%0.502SS*.Hα-helixtrans-57.1-51.5175.1-177174.5-159.200111.6A130 Q131 K136 N137 E138A130-E134 WeakPolarHBondContact O-CB 3.26Å; A130-E134 PolarHBondContact O-N 3.25Å; Q131-E134 PolarHBondContact O-N 2.95Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.46Å; E134-N137 WeakPolarHBondContact O-CB 3.37Å; E134-N137 PolarHBondContact O-N 3.18Å; E134-N137 VanDerWaalsContact O-N 3.1Å; E134-E138 PolarHBondContact O-N 3.29Å
135L98.8Very high97.7Very high107 Ų107103.3 Ų103.356%0.5651%0.509SS*.Hα-helixtrans-63.1-34.4178.3-70.6171.6000112.6Q131 K139Q131-L135 WeakPolarHBondContact O-CB 2.97Å; Q131-L135 VanDerWaalsContact O-CG 3.27Å; Q131-L135 WeakPolarHBondContact O-CG 3.26Å; Q131-L135 PolarHBondContact O-N 3.45Å; L135-K139 VanDerWaalsContact O-CB 3.29Å; L135-K139 WeakPolarHBondContact O-CB 3.4Å; L135-K139 PolarHBondContact O-N 2.97Å
136K98.3Very high97.3Very high127 Ų127105 Ų10555%0.55252%0.517SS*.Hα-helixtrans-65.2-43.2173.5-81.1174.1178.7177.60111.3I132 E133 E134 K139 Q140I132-K136 HydrophobicContact CG2-CD 4.07Å; I132-K136 WeakPolarHBondContact O-CB 3.35Å; I132-K136 VanDerWaalsContact O-CG 3.23Å; I132-K136 WeakPolarHBondContact O-CG 3.43Å; I132-K136 PolarHBondContact O-N 2.91Å; E133-K136 WeakPolarHBondContact O-CB 3.38Å; E133-K136 PolarHBondContact O-N 2.7Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.46Å; K136-K139 PolarHBondContact O-N 3.48Å; K136-Q140 WeakPolarHBondContact O-CB 3.42Å; K136-Q140 VanDerWaalsContact O-CG 3.3Å; K136-Q140 WeakPolarHBondContact O-CG 3.28Å; K136-Q140 PolarHBondContact O-N 3.3Å
137N98.4Very high96.7Very high87 Ų87106.1 Ų106.147%0.46552%0.515SS..Hα-helixtrans-65.5-44178.4-69-20.1000110.9E133 E134 Q140 H141E133-N137 VanDerWaalsContact O-CG 3.24Å; E133-N137 PolarHBondContact O-N 3.17Å; E133-N137 PolarHBondContact O-ND2 3.12Å; E134-N137 WeakPolarHBondContact O-CB 3.37Å; E134-N137 PolarHBondContact O-N 3.18Å; E134-N137 VanDerWaalsContact O-N 3.1Å; N137-Q140 PolarHBondContact O-N 3.44Å; N137-H141 WeakPolarHBondContact O-CB 3.3Å; N137-H141 PolarHBondContact O-N 2.92Å
138E98.4Very high96.2Very high111 Ų111106.4 Ų106.452%0.51952%0.519SS..Hα-helixtrans-61.7-46.3176-171.4177.9-165.200111.5E134 Q140 H141 L142E134-E138 PolarHBondContact O-N 3.29Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.2Å; E138-H141 WeakPolarHBondContact O-CB 3.27Å; E138-H141 PolarHBondContact O-N 3.27Å; E138-L142 HydrophobicContact CG-CD1 4.29Å; E138-L142 WeakPolarHBondContact O-CG 3.2Å; E138-L142 PolarHBondContact O-N 2.99Å
139K97.4Very high95.7Very high133 Ų133107 Ų10758%0.57852%0.519SS*.Hα-helixtrans-56.2-47.4173.7175-175.5172.1179.80111.7L135 K136 H141 L142 I143L135-K139 VanDerWaalsContact O-CB 3.29Å; L135-K139 WeakPolarHBondContact O-CB 3.4Å; L135-K139 PolarHBondContact O-N 2.97Å; K136-K139 PolarHBondContact O-N 3.48Å; K139-H141 VanDerWaalsContact C-N 3.32Å; K139-H141 PolarHBondContact O-N 2.88Å; K139-L142 PolarHBondContact O-N 3.42Å; K139-I143 HydrophobicContact CD-CD1 4.4Å; K139-I143 HydrophobicContact CG-CD1 3.8Å; K139-I143 HydrophobicContact CG-CG1 4.47Å; K139-I143 WeakPolarHBondContact O-CB 3.45Å; K139-I143 VanDerWaalsContact O-CG1 3.24Å; K139-I143 WeakPolarHBondContact O-CG1 3.43Å; K139-I143 PolarHBondContact O-N 3.45Å
140Q97.1Very high94.9Very high128 Ų128104.1 Ų104.160%0.59851%0.505SS*.Hα-helixtrans-62.5-41.2179.2-76.2177.1-3.700111.5K136 N137 E138 I143 Y144K136-Q140 WeakPolarHBondContact O-CB 3.42Å; K136-Q140 VanDerWaalsContact O-CG 3.3Å; K136-Q140 WeakPolarHBondContact O-CG 3.28Å; K136-Q140 PolarHBondContact O-N 3.3Å; N137-Q140 PolarHBondContact O-N 3.44Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.2Å; Q140-I143 PolarHBondContact O-N 3.18Å; Q140-Y144 WeakPolarHBondContact O-CB 3.34Å; Q140-Y144 PolarHBondContact O-N 3.35Å
141H97.4Very high94.1Very high108 Ų108106.9 Ų106.950%0.552%0.518SS..Hα-helixtrans-62.2-46.4176.6-175.464000112N137 E138 K139 I143 Y144 M145N137-H141 WeakPolarHBondContact O-CB 3.3Å; N137-H141 PolarHBondContact O-N 2.92Å; E138-H141 WeakPolarHBondContact O-CB 3.27Å; E138-H141 PolarHBondContact O-N 3.27Å; K139-H141 VanDerWaalsContact C-N 3.32Å; K139-H141 PolarHBondContact O-N 2.88Å; H141-I143 PolarHBondContact O-N 3.13Å; H141-Y144 WeakPolarHBondContact O-CB 3.48Å; H141-Y144 PolarHBondContact O-N 3.43Å; H141-M145 WeakPolarHBondContact O-CG 3.32Å; H141-M145 PolarHBondContact O-N 3.23Å
142L96.9Very high93.4Very high88 Ų88107.5 Ų107.546%0.46153%0.528SS..Hα-helixtrans-62.7-42.8176.2-69.6172.9000111.9E138 K139 Y144 M145 L146E138-L142 HydrophobicContact CG-CD1 4.29Å; E138-L142 WeakPolarHBondContact O-CG 3.2Å; E138-L142 PolarHBondContact O-N 2.99Å; K139-L142 PolarHBondContact O-N 3.42Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 3.08Å; L142-M145 PolarHBondContact O-N 2.88Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 VanDerWaalsContact O-CG 3.32Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.44Å
143I93.8Very high92.6Very high75 Ų75104.2 Ų104.239%0.38551%0.512SS..Hα-helixtrans-60.4-43.7174.9-71.9169.1000110.7K139 Q140 H141 L146 N147K139-I143 HydrophobicContact CD-CD1 4.4Å; K139-I143 HydrophobicContact CG-CD1 3.8Å; K139-I143 HydrophobicContact CG-CG1 4.47Å; K139-I143 WeakPolarHBondContact O-CB 3.45Å; K139-I143 VanDerWaalsContact O-CG1 3.24Å; K139-I143 WeakPolarHBondContact O-CG1 3.43Å; K139-I143 PolarHBondContact O-N 3.45Å; Q140-I143 PolarHBondContact O-N 3.18Å; H141-I143 PolarHBondContact O-N 3.13Å; I143-L146 PolarHBondContact O-N 2.77Å; I143-N147 WeakPolarHBondContact O-CB 3.32Å; I143-N147 VanDerWaalsContact O-CG 3.31Å; I143-N147 PolarHBondContact O-N 2.95Å; I143-N147 PolarHBondContact O-ND2 3.23Å
144Y92.8Very high91.5Very high148 Ų148104.3 Ų104.358%0.5852%0.516SS*.Hα-helixtrans-59.8-48.9176.9170.6-100.9000111.4Q140 H141 L142 L146 N147 L148Q140-Y144 WeakPolarHBondContact O-CB 3.34Å; Q140-Y144 PolarHBondContact O-N 3.35Å; H141-Y144 WeakPolarHBondContact O-CB 3.48Å; H141-Y144 PolarHBondContact O-N 3.43Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 3.08Å; Y144-L146 PolarHBondContact O-N 3.4Å; Y144-N147 PolarHBondContact O-N 3.03Å; Y144-L148 PolarHBondContact O-N 3.18Å
145M95Very high90.1Very high102 Ų102102.9 Ų102.950%0.50252%0.516SS..Hα-helixtrans-58.8-44.6176.5-75.1-177.551.700112.4H141 L142 N147 L148 H149H141-M145 WeakPolarHBondContact O-CG 3.32Å; H141-M145 PolarHBondContact O-N 3.23Å; L142-M145 PolarHBondContact O-N 2.88Å; M145-N147 PolarHBondContact O-N 3.48Å; M145-L148 PolarHBondContact O-N 3.17Å; M145-H149 PolarHBondContact O-N 3.4Å
146L89.8Confident88.4Confident114 Ų114100.4 Ų100.460%0.59750%0.499SS*.Hα-helixtrans-62.8-42177.6-74.2173.9000111.8L142 I143 Y144 L148 H149 R150L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 VanDerWaalsContact O-CG 3.32Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.44Å; I143-L146 PolarHBondContact O-N 2.77Å; Y144-L146 PolarHBondContact O-N 3.4Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 2.9Å; L146-H149 PolarHBondContact O-N 3.46Å; L146-R150 WeakPolarHBondContact O-CB 3.3Å; L146-R150 PolarHBondContact O-N 2.82Å
147N86.8Confident86.4Confident84 Ų8498.6 Ų98.645%0.44951%0.508SS..Hα-helixtrans-64.8-37.3177.4-76.5-27.8000112I143 Y144 M145 P151I143-N147 WeakPolarHBondContact O-CB 3.32Å; I143-N147 VanDerWaalsContact O-CG 3.31Å; I143-N147 PolarHBondContact O-N 2.95Å; I143-N147 PolarHBondContact O-ND2 3.23Å; Y144-N147 PolarHBondContact O-N 3.03Å; M145-N147 PolarHBondContact O-N 3.48Å; N147-P151 WeakPolarHBondContact O-CD 3.18Å
148L89.3Confident84.4Confident115 Ų115101.7 Ų101.760%0.60252%0.52SS*.Hα-helixtrans-66.1-40.1175.1-171.567.5000112Y144 M145 L146 P151Y144-L148 PolarHBondContact O-N 3.18Å; M145-L148 PolarHBondContact O-N 3.17Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 2.9Å; L148-P151 WeakPolarHBondContact O-CD 3.38Å
149H87.6Confident82.4Confident100 Ų100101.8 Ų101.846%0.46352%0.524SS..Hα-helixtrans-70.7-37.1177.8178.163.7000112.8M145 L146 P151 T152 C153M145-H149 PolarHBondContact O-N 3.4Å; L146-H149 PolarHBondContact O-N 3.46Å; H149-P151 VanDerWaalsContact C-CD 3.47Å; H149-P151 VanDerWaalsContact O-N 3.15Å; H149-T152 CarbonylContact O-C 3.59Å; H149-T152 WeakPolarHBondContact O-CA 3.07Å; H149-T152 PolarHBondContact O-N 3.42Å; H149-T152 PolarHBondContact O-OG1 3.29Å; H149-C153 WeakPolarHBondContact NE2-CB 3.42Å; H149-C153 PolarHBondContact NE2-SG 3.22Å; H149-C153 VanDerWaalsContact NE2-SG 3.43Å; H149-C153 PolarHBondContact O-N 3.02Å; H149-C153 VanDerWaalsContact O-N 3.16Å
150R81.3Confident80.4Confident72 Ų7299 Ų9927%0.27253%0.533SS..G310 helixtrans-43.6-48.5-171.8-152.7-176.4-148.9121.523.2115.9L146 T152 C153 R156 P163 E166L146-R150 WeakPolarHBondContact O-CB 3.3Å; L146-R150 PolarHBondContact O-N 2.82Å; R150-T152 PolarHBondContact O-N 3.23Å; R150-C153 WeakPolarHBondContact O-CB 3.45Å; R150-C153 PolarHBondContact O-N 2.84Å; R150-R156 VanDerWaalsContact NE-NH1 3.12Å; R150-R156 VanDerWaalsContact NH2-CZ 3.33Å; R150-P163 VanDerWaalsContact CZ-CB 3.44Å; R150-P163 VanDerWaalsContact NH2-CG 3.3Å; R150-E166 IonicContact NH2-OE2 3.88Å
151P81.7Confident78.7Confident112 Ų112100.2 Ų100.273%0.72753%0.532SS*.G310 helixtrans-68.8-20.2179.627-36.4000114.2N147 L148 H149N147-P151 WeakPolarHBondContact O-CD 3.18Å; L148-P151 WeakPolarHBondContact O-CD 3.38Å; H149-P151 VanDerWaalsContact C-CD 3.47Å; H149-P151 VanDerWaalsContact O-N 3.15Å
152T84.2Confident77.1Confident98 Ų9898 Ų9860%0.60153%0.526SS*.G310 helixtrans-100-1.5179.365.50000113.2H149 R150 I154H149-T152 CarbonylContact O-C 3.59Å; H149-T152 WeakPolarHBondContact O-CA 3.07Å; H149-T152 PolarHBondContact O-N 3.42Å; H149-T152 PolarHBondContact O-OG1 3.29Å; R150-T152 PolarHBondContact O-N 3.23Å; T152-I154 PolarHBondContact O-N 2.91Å
153C83Confident75.6Confident21 Ų2196.7 Ų96.714%0.14252%0.523CS..  trans-73.1111-173.4-173.20000111.5H149 R150 V155 R156 A157H149-C153 WeakPolarHBondContact NE2-CB 3.42Å; H149-C153 PolarHBondContact NE2-SG 3.22Å; H149-C153 VanDerWaalsContact NE2-SG 3.43Å; H149-C153 PolarHBondContact O-N 3.02Å; H149-C153 VanDerWaalsContact O-N 3.16Å; R150-C153 WeakPolarHBondContact O-CB 3.45Å; R150-C153 PolarHBondContact O-N 2.84Å; C153-V155 PolarHBondContact O-N 2.94Å; C153-R156 HydrophobicContact CB-CB 4.29Å; C153-R156 PolarHBondContact O-N 2.81Å; C153-R156 VanDerWaalsContact O-N 3.09Å; C153-A157 PolarHBondContact O-N 2.8Å
154I74.3Confident74.3Confident126 Ų12698.5 Ų98.565%0.64653%0.53SS*.Hα-helixtrans-60.1-32.3-179.6-56.6172.8000111.6T152 R156 A157 Q158T152-I154 PolarHBondContact O-N 2.91Å; I154-R156 VanDerWaalsContact C-N 3.35Å; I154-R156 PolarHBondContact O-N 2.81Å; I154-A157 PolarHBondContact O-N 3.45Å; I154-Q158 PolarHBondContact O-N 3.32Å
155V70.6Confident73.3Confident104 Ų10494.1 Ų94.163%0.6352%0.516SS*.Hα-helixtrans-66.3-35.1178.2-176.30000111.8C153 Q158 N159C153-V155 PolarHBondContact O-N 2.94Å; V155-Q158 PolarHBondContact O-N 2.81Å; V155-N159 PolarHBondContact O-N 3.39Å
156R61.8Low72.1Confident56 Ų5693.8 Ų93.821%0.21151%0.513CS..Hα-helixtrans-78-27.2175.8-83.4178.3176.7-90.6-21.5113.5R150 C153 I154 Q158 N159 R161 E166R150-R156 VanDerWaalsContact NE-NH1 3.12Å; R150-R156 VanDerWaalsContact NH2-CZ 3.33Å; C153-R156 HydrophobicContact CB-CB 4.29Å; C153-R156 PolarHBondContact O-N 2.81Å; C153-R156 VanDerWaalsContact O-N 3.09Å; I154-R156 VanDerWaalsContact C-N 3.35Å; I154-R156 PolarHBondContact O-N 2.81Å; R156-Q158 PolarHBondContact O-N 3.32Å; R156-N159 CarbonylContact O-C 3.58Å; R156-R161 PolarHBondContact NH1-O 2.84Å; R156-R161 PolarHBondContact NH2-O 3.49Å; R156-E166 IonicContact CZ-OE1 3.79Å; R156-E166 IonicContact NH2-OE1 2.81Å; R156-E166 PolarHBondContact NH2-OE1 3.31Å; R156-E166 IonicContact NH2-OE2 3.06Å; R156-E166 PolarHBondContact NH2-OE2 2.9Å
157A57.5Low71.3Confident89 Ų8994.9 Ų94.974%0.73651%0.51SS*.Hα-helixtrans-65.9-26.1172.500000112.1C153 I154C153-A157 PolarHBondContact O-N 2.8Å; I154-A157 PolarHBondContact O-N 3.45Å
158Q54.9Low70.8Confident152 Ų15294.8 Ų94.871%0.7151%0.509SS*.Hα-helixtrans-95.3-35.2178.6-64.1-178.114.100112.9I154 V155 R156I154-Q158 PolarHBondContact O-N 3.32Å; V155-Q158 PolarHBondContact O-N 2.81Å; R156-Q158 PolarHBondContact O-N 3.32Å
159N57.5Low70.2Confident113 Ų11393.5 Ų93.560%0.60450%0.502SS*.SBendtrans-129.293.1179.9-66.7-25.6000109.9V155 R156 R161V155-N159 PolarHBondContact O-N 3.39Å; R156-N159 CarbonylContact O-C 3.58Å; N159-R161 PolarHBondContact O-N 3.21Å
160G55.8Low69.5Low75 Ų7594.9 Ų94.977%0.77351%0.507SS*.  trans-67.959.4-177.500000115.2
161R60.3Low69.5Low152 Ų15295 Ų9557%0.57451%0.512SS*.  trans-83.4129.3172.6-70.6-73.9-166.2-1802.4109.9R156 N159R156-R161 PolarHBondContact NH1-O 2.84Å; R156-R161 PolarHBondContact NH2-O 3.49Å; N159-R161 PolarHBondContact O-N 3.21Å
162T63.7Low69.3Low63 Ų6394.5 Ų94.539%0.38750%0.501SS..  trans-75.7155.8178.168.10000110.9E164 D165 E166T162-E164 PolarHBondContact O-N 3.11Å; T162-E164 VanDerWaalsContact O-N 3.15Å; T162-D165 WeakPolarHBondContact CB-OD2 3.4Å; T162-D165 PolarHBondContact N-OD2 3.46Å; T162-D165 WeakPolarHBondContact O-CB 3.45Å; T162-D165 PolarHBondContact O-N 2.92Å; T162-D165 VanDerWaalsContact O-N 3.15Å; T162-D165 PolarHBondContact OG1-N 3.32Å; T162-D165 PolarHBondContact OG1-OD2 3.16Å; T162-E166 PolarHBondContact O-N 2.79Å
163P66Low69Low59 Ų5996 Ų9638%0.38350%0.501SS..Hα-helixtrans-46.6-35.4167.8-2.8-9.5000114.4R150 R167R150-P163 VanDerWaalsContact CZ-CB 3.44Å; R150-P163 VanDerWaalsContact NH2-CG 3.3Å; P163-R167 PolarHBondContact O-N 2.85Å; P163-R167 VanDerWaalsContact O-N 3.15Å
164E67.1Low68.8Low114 Ų11499.4 Ų99.453%0.53352%0.517SS..Hα-helixtrans-72.4-36.9-176.2-58.9-167.6144.100110.8T162 E166 R167 N168T162-E164 PolarHBondContact O-N 3.11Å; T162-E164 VanDerWaalsContact O-N 3.15Å; E164-E166 PolarHBondContact O-N 3.29Å; E164-R167 PolarHBondContact O-N 2.91Å; E164-N168 VanDerWaalsContact O-CB 3.27Å; E164-N168 WeakPolarHBondContact O-CB 3.4Å; E164-N168 PolarHBondContact O-N 2.92Å; E164-N168 PolarHBondContact O-ND2 3.48Å; E164-N168 VanDerWaalsContact O-ND2 3.09Å; E164-N168 PolarHBondContact O-OD1 2.83Å
165D72Confident68.9Low55 Ų55100 Ų10029%0.29452%0.515SS..Hα-helixtrans-61.7-44.5175.8-59.3-41.4000111.8T162 N168 L169T162-D165 WeakPolarHBondContact CB-OD2 3.4Å; T162-D165 PolarHBondContact N-OD2 3.46Å; T162-D165 WeakPolarHBondContact O-CB 3.45Å; T162-D165 PolarHBondContact O-N 2.92Å; T162-D165 VanDerWaalsContact O-N 3.15Å; T162-D165 PolarHBondContact OG1-N 3.32Å; T162-D165 PolarHBondContact OG1-OD2 3.16Å; D165-N168 PolarHBondContact O-N 2.76Å; D165-L169 WeakPolarHBondContact O-CB 3.26Å; D165-L169 WeakPolarHBondContact O-CD1 3.46Å; D165-L169 WeakPolarHBondContact O-CG 3.46Å; D165-L169 PolarHBondContact O-N 2.96Å
166E69.3Low69.3Low96 Ų96100 Ų10045%0.44951%0.507SS..Hα-helixtrans-65-42.8178-70.1168.1-175.200111.6R150 R156 T162 E164 N168 L169 F170R150-E166 IonicContact NH2-OE2 3.88Å; R156-E166 IonicContact CZ-OE1 3.79Å; R156-E166 IonicContact NH2-OE1 2.81Å; R156-E166 PolarHBondContact NH2-OE1 3.31Å; R156-E166 IonicContact NH2-OE2 3.06Å; R156-E166 PolarHBondContact NH2-OE2 2.9Å; T162-E166 PolarHBondContact O-N 2.79Å; E164-E166 PolarHBondContact O-N 3.29Å; E166-N168 VanDerWaalsContact C-N 3.35Å; E166-L169 PolarHBondContact O-N 2.89Å; E166-F170 PolarHBondContact O-N 3.23Å; E166-F170 VanDerWaalsContact O-N 3.08Å
167R71.9Confident69.6Low137 Ų13799.2 Ų99.252%0.51752%0.517SS..Hα-helixtrans-62.8-42.4174.8-176.4-171.164.2-167-8.4111.5P163 E164 F170 I171P163-R167 PolarHBondContact O-N 2.85Å; P163-R167 VanDerWaalsContact O-N 3.15Å; E164-R167 PolarHBondContact O-N 2.91Å; R167-F170 PolarHBondContact O-N 3.04Å; R167-I171 HydrophobicContact CG-CD1 4.15Å; R167-I171 WeakPolarHBondContact O-CG1 3.02Å; R167-I171 PolarHBondContact O-N 3.26Å
168N77.1Confident69.7Low81 Ų8199.7 Ų99.743%0.43351%0.511SS..Hα-helixtrans-66.2-40.5-179.7-68.1-19.2000111.1E164 D165 E166 I171 Q172E164-N168 VanDerWaalsContact O-CB 3.27Å; E164-N168 WeakPolarHBondContact O-CB 3.4Å; E164-N168 PolarHBondContact O-N 2.92Å; E164-N168 PolarHBondContact O-ND2 3.48Å; E164-N168 VanDerWaalsContact O-ND2 3.09Å; E164-N168 PolarHBondContact O-OD1 2.83Å; D165-N168 PolarHBondContact O-N 2.76Å; E166-N168 VanDerWaalsContact C-N 3.35Å; N168-I171 PolarHBondContact O-N 2.95Å; N168-Q172 WeakPolarHBondContact O-CB 3.47Å; N168-Q172 PolarHBondContact O-N 3.49Å
169L76.9Confident69.6Low88 Ų8899.9 Ų99.946%0.46152%0.516SS..Hα-helixtrans-60.5-44.3173.7-80.1158.6000112.4D165 E166 Q172 Q173D165-L169 WeakPolarHBondContact O-CB 3.26Å; D165-L169 WeakPolarHBondContact O-CD1 3.46Å; D165-L169 WeakPolarHBondContact O-CG 3.46Å; D165-L169 PolarHBondContact O-N 2.96Å; E166-L169 PolarHBondContact O-N 2.89Å; L169-Q172 WeakPolarHBondContact O-CB 3.48Å; L169-Q172 PolarHBondContact O-N 3.48Å; L169-Q173 PolarHBondContact O-N 3.32Å
170F73.4Confident69.3Low129 Ų129102.9 Ų102.957%0.56653%0.526SS*.Hα-helixtrans-65-43.5178.5-175.9-101.6000112.4E166 R167 Q172 Q173 I174E166-F170 PolarHBondContact O-N 3.23Å; E166-F170 VanDerWaalsContact O-N 3.08Å; R167-F170 PolarHBondContact O-N 3.04Å; F170-Q172 VanDerWaalsContact C-N 3.26Å; F170-Q172 PolarHBondContact O-N 3.27Å; F170-Q173 PolarHBondContact O-N 3.32Å; F170-I174 HydrophobicContact CD1-CD1 4.14Å; F170-I174 HydrophobicContact CE1-CD1 3.47Å; F170-I174 VanDerWaalsContact CE1-CD1 3.47Å; F170-I174 HydrophobicContact CE1-CG1 4.29Å; F170-I174 HydrophobicContact CZ-CD1 3.77Å; F170-I174 HydrophobicContact CZ-CG1 4.41Å; F170-I174 PolarHBondContact O-N 3.05Å; F170-I174 VanDerWaalsContact O-N 3.1Å
171I80.5Confident68.6Low75 Ų75107.3 Ų107.339%0.38555%0.545SS..Hα-helixtrans-61.9-38.3175.5-69.7174.2000110.8R167 N168 I174 K175R167-I171 HydrophobicContact CG-CD1 4.15Å; R167-I171 WeakPolarHBondContact O-CG1 3.02Å; R167-I171 PolarHBondContact O-N 3.26Å; N168-I171 PolarHBondContact O-N 2.95Å; I171-I174 PolarHBondContact O-N 3.47Å; I171-K175 HydrophobicContact CG2-CD 4.35Å; I171-K175 WeakPolarHBondContact O-CG 3.39Å; I171-K175 PolarHBondContact O-N 3.4Å; I171-K175 VanDerWaalsContact O-N 3.12Å
172Q78.1Confident69.1Low102 Ų102105.1 Ų105.148%0.47754%0.544SS..Hα-helixtrans-65.6-44.5177.2-175.7168.43.900111.9N168 L169 F170 I174 K175 E176N168-Q172 WeakPolarHBondContact O-CB 3.47Å; N168-Q172 PolarHBondContact O-N 3.49Å; L169-Q172 WeakPolarHBondContact O-CB 3.48Å; L169-Q172 PolarHBondContact O-N 3.48Å; F170-Q172 VanDerWaalsContact C-N 3.26Å; F170-Q172 PolarHBondContact O-N 3.27Å; Q172-I174 VanDerWaalsContact C-N 3.32Å; Q172-I174 PolarHBondContact O-N 2.76Å; Q172-K175 WeakPolarHBondContact O-CB 3.27Å; Q172-K175 PolarHBondContact O-N 2.9Å; Q172-K175 VanDerWaalsContact O-N 3.15Å; Q172-E176 HydrophobicContact CG-CG 4.46Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.35Å; Q172-E176 PolarHBondContact NE2-OE1 2.66Å; Q172-E176 WeakPolarHBondContact O-CG 3.41Å; Q172-E176 PolarHBondContact O-N 2.77Å
173Q76.5Confident69.3Low129 Ų129107.3 Ų107.360%0.60355%0.552SS**Hα-helixtrans-59.9-39.3175.2-82.3177.3-38.300113.1L169 F170 E176 G177L169-Q173 PolarHBondContact O-N 3.32Å; F170-Q173 PolarHBondContact O-N 3.32Å; Q173-E176 PolarHBondContact O-N 2.93Å; Q173-G177 PolarHBondContact O-N 3.37Å
174I78.8Confident69.5Low93 Ų93110 Ų11048%0.47756%0.562SS.*Hα-helixtrans-65-43175.6-69.6-171000110.9F170 I171 Q172 E176 G177 T178F170-I174 HydrophobicContact CD1-CD1 4.14Å; F170-I174 HydrophobicContact CE1-CD1 3.47Å; F170-I174 VanDerWaalsContact CE1-CD1 3.47Å; F170-I174 HydrophobicContact CE1-CG1 4.29Å; F170-I174 HydrophobicContact CZ-CD1 3.77Å; F170-I174 HydrophobicContact CZ-CG1 4.41Å; F170-I174 PolarHBondContact O-N 3.05Å; F170-I174 VanDerWaalsContact O-N 3.1Å; I171-I174 PolarHBondContact O-N 3.47Å; Q172-I174 VanDerWaalsContact C-N 3.32Å; Q172-I174 PolarHBondContact O-N 2.76Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.98Å; I174-G177 PolarHBondContact O-N 3.5Å; I174-T178 WeakPolarHBondContact O-CB 3.38Å; I174-T178 PolarHBondContact O-N 2.92Å; I174-T178 PolarHBondContact O-OG1 3.04Å
175K77.8Confident69.7Low139 Ų139109.8 Ų109.860%0.60456%0.563SS**Hα-helixtrans-62.6-40.9177.2-73.8176.4177.8-177.70112I171 Q172I171-K175 HydrophobicContact CG2-CD 4.35Å; I171-K175 WeakPolarHBondContact O-CG 3.39Å; I171-K175 PolarHBondContact O-N 3.4Å; I171-K175 VanDerWaalsContact O-N 3.12Å; Q172-K175 WeakPolarHBondContact O-CB 3.27Å; Q172-K175 PolarHBondContact O-N 2.9Å; Q172-K175 VanDerWaalsContact O-N 3.15Å
176E77.6Confident69.5Low103 Ų103113.2 Ų113.248%0.48158%0.58SS.*Hα-helixtrans-70.8-38.7179.4-71.1171.6-172.800112.1Q172 Q173 I174 T178 L179Q172-E176 HydrophobicContact CG-CG 4.46Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.35Å; Q172-E176 PolarHBondContact NE2-OE1 2.66Å; Q172-E176 WeakPolarHBondContact O-CG 3.41Å; Q172-E176 PolarHBondContact O-N 2.77Å; Q173-E176 PolarHBondContact O-N 2.93Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.98Å; E176-T178 VanDerWaalsContact C-N 3.35Å; E176-T178 PolarHBondContact O-N 2.75Å; E176-L179 PolarHBondContact O-N 2.83Å
177G69.4Low69.5Low40 Ų40114.3 Ų114.341%0.41259%0.589SS.*Hα-helixtrans-69.4-28.8175.300000114.1Q173 I174 L179Q173-G177 PolarHBondContact O-N 3.37Å; I174-G177 PolarHBondContact O-N 3.5Å; G177-L179 VanDerWaalsContact C-N 3.32Å; G177-L179 PolarHBondContact O-N 3.08Å
178T58.6Low69.4Low98 Ų98112.7 Ų112.760%0.60159%0.594SS**Hα-helixtrans-75.9-19.9178.7-50.10000112.5I174 E176 Q180I174-T178 WeakPolarHBondContact O-CB 3.38Å; I174-T178 PolarHBondContact O-N 2.92Å; I174-T178 PolarHBondContact O-OG1 3.04Å; E176-T178 VanDerWaalsContact C-N 3.35Å; E176-T178 PolarHBondContact O-N 2.75Å; T178-Q180 VanDerWaalsContact C-N 3.35Å
179L54.2Low68.8Low156 Ų156115.2 Ų115.282%0.81761%0.607SS**THydrogen-bonded Turntrans-86.4-3178.7-70.7171.6000113.9E176 G177E176-L179 PolarHBondContact O-N 2.83Å; G177-L179 VanDerWaalsContact C-N 3.32Å; G177-L179 PolarHBondContact O-N 3.08Å
180Q50.1Low68.1Low177 Ų177117.4 Ų117.483%0.82762%0.619SS**THydrogen-bonded Turntrans-102.35.9179.7-71.4-174-6.500114T178T178-Q180 VanDerWaalsContact C-N 3.35Å
181S42.3Very low67.6Low168 Ų168116.4 Ų116.4100%1.17562%0.624SS**  trans-116.20-180-52.20000112.5

Retrieved 181 of 181 residues in 1015.6 ms (Link to these results)