X2JKN6_DROME Loading...

Dorsal switch protein 1, isoform G

AlphaFold DB (F2FBA6), UniProt , Accession X2JKN6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dsp1, Length 386 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.8Low67.1Low219 Ų219134.5 Ų134.5100%1.07964%0.638SS**  0-41.10-68.3-154.1-146.300112.4H3 F4 H5M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 3.21Å; M1-F4 WeakPolarHBondContact O-CB 3.28Å; M1-F4 PolarHBondContact O-N 3.09Å; M1-H5 PolarHBondContact O-N 3.49Å
2E51.5Low68.1Low169 Ų169127.4 Ų127.479%0.7962%0.618SS**Hα-helixtrans-49.5-45.6179.5-64.2173.1152.600113.3F4 H5 Q6E2-F4 VanDerWaalsContact C-N 3.26Å; E2-F4 PolarHBondContact O-N 2.94Å; E2-H5 PolarHBondContact O-N 3.18Å; E2-Q6 WeakPolarHBondContact O-CB 3.34Å; E2-Q6 PolarHBondContact O-N 3.47Å
3H52.1Low69.2Low148 Ų148121.5 Ų121.569%0.68560%0.603SS**Hα-helixtrans-55.3-34.2176.4-162.4-87.9000114.3M1 I7M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 3.21Å; H3-I7 WeakPolarHBondContact ND1-CD1 3.45Å; H3-I7 WeakPolarHBondContact O-CB 3.36Å; H3-I7 WeakPolarHBondContact O-CD1 3.33Å; H3-I7 VanDerWaalsContact O-CG1 3.24Å; H3-I7 WeakPolarHBondContact O-CG1 3.24Å; H3-I7 PolarHBondContact O-N 3.4Å
4F59.5Low70.3Confident132 Ų132120.6 Ų120.658%0.57960%0.596SS**Hα-helixtrans-74.8-36.3177.5-175.1-96.2000111.9M1 E2 I7 Q8M1-F4 WeakPolarHBondContact O-CB 3.28Å; M1-F4 PolarHBondContact O-N 3.09Å; E2-F4 VanDerWaalsContact C-N 3.26Å; E2-F4 PolarHBondContact O-N 2.94Å; F4-I7 PolarHBondContact O-N 2.97Å; F4-Q8 HydrophobicContact CE1-CG 4.29Å; F4-Q8 PolarHBondContact O-N 2.86Å
5H67.5Low70.8Confident133 Ų133120.9 Ų120.962%0.61660%0.595SS**Hα-helixtrans-70.4-38.3174.9-135.164.2000111.2M1 E2 Q8 Q9M1-H5 PolarHBondContact O-N 3.49Å; E2-H5 PolarHBondContact O-N 3.18Å; H5-Q8 PolarHBondContact O-N 2.93Å; H5-Q9 WeakPolarHBondContact O-CB 3.47Å; H5-Q9 PolarHBondContact O-N 3.37Å
6Q68.1Low71.2Confident118 Ų118122.6 Ų122.655%0.55160%0.602SS**Hα-helixtrans-60.2-44.8171.8-162.1102.446.200111.3E2 Q9 Q10E2-Q6 WeakPolarHBondContact O-CB 3.34Å; E2-Q6 PolarHBondContact O-N 3.47Å; Q6-Q9 PolarHBondContact O-N 2.92Å; Q6-Q10 WeakPolarHBondContact O-CB 3.37Å; Q6-Q10 PolarHBondContact O-N 3.23Å
7I76.1Confident71.8Confident75 Ų75123.1 Ų123.139%0.38560%0.602SS.*Hα-helixtrans-61.6-48.4174.5-73.5165.7000111.1H3 F4 Q9 Q10 L11H3-I7 WeakPolarHBondContact ND1-CD1 3.45Å; H3-I7 WeakPolarHBondContact O-CB 3.36Å; H3-I7 WeakPolarHBondContact O-CD1 3.33Å; H3-I7 VanDerWaalsContact O-CG1 3.24Å; H3-I7 WeakPolarHBondContact O-CG1 3.24Å; H3-I7 PolarHBondContact O-N 3.4Å; F4-I7 PolarHBondContact O-N 2.97Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.05Å; I7-Q10 PolarHBondContact O-N 2.67Å; I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 PolarHBondContact O-N 2.97Å
8Q71.8Confident72.2Confident107 Ų107123.6 Ų123.650%0.560%0.603SS.*Hα-helixtrans-60.3-40.3177.5-90.4-166.3-23.400112.3F4 H5 L11 A12F4-Q8 HydrophobicContact CE1-CG 4.29Å; F4-Q8 PolarHBondContact O-N 2.86Å; H5-Q8 PolarHBondContact O-N 2.93Å; Q8-L11 PolarHBondContact O-N 3.28Å; Q8-A12 WeakPolarHBondContact O-CB 3.15Å; Q8-A12 PolarHBondContact O-N 3.38Å
9Q78.4Confident72.6Confident135 Ų135120.5 Ų120.563%0.63159%0.592SS**Hα-helixtrans-70.2-37.6178.8-165.7172.163.400112.1H5 Q6 I7 A13H5-Q9 WeakPolarHBondContact O-CB 3.47Å; H5-Q9 PolarHBondContact O-N 3.37Å; Q6-Q9 PolarHBondContact O-N 2.92Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.05Å; Q9-A13 VanDerWaalsContact O-CB 3.32Å; Q9-A13 WeakPolarHBondContact O-CB 2.97Å; Q9-A13 PolarHBondContact O-N 2.96Å
10Q81.1Confident72.9Confident135 Ų135120.6 Ų120.663%0.63159%0.591SS**Hα-helixtrans-63.7-42170.1-86.3-175.6-32.300112.2Q6 I7 A13 Q14Q6-Q10 WeakPolarHBondContact O-CB 3.37Å; Q6-Q10 PolarHBondContact O-N 3.23Å; I7-Q10 PolarHBondContact O-N 2.67Å; Q10-A13 PolarHBondContact O-N 3.44Å; Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.48Å; Q10-Q14 PolarHBondContact O-N 3.28Å
11L80.5Confident73.2Confident109 Ų109121.3 Ų121.357%0.57159%0.593SS**Hα-helixtrans-65.5-41.7179.3-147.577.1000111.3I7 Q8 Q14 Q15I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 PolarHBondContact O-N 2.97Å; Q8-L11 PolarHBondContact O-N 3.28Å; L11-Q14 PolarHBondContact O-N 3.3Å; L11-Q15 WeakPolarHBondContact O-CB 3.47Å; L11-Q15 PolarHBondContact O-N 3.01Å
12A79.1Confident74.5Confident49 Ų49114.4 Ų114.441%0.40556%0.558SS.*Hα-helixtrans-65.1-42.2174.400000112.4Q8 Q15 Q16Q8-A12 WeakPolarHBondContact O-CB 3.15Å; Q8-A12 PolarHBondContact O-N 3.38Å; A12-Q15 PolarHBondContact O-N 3.11Å; A12-Q16 WeakPolarHBondContact O-CG 3.46Å; A12-Q16 PolarHBondContact O-N 3.11Å
13A81.6Confident75.7Confident51 Ų51112.3 Ų112.342%0.42155%0.548SS..Hα-helixtrans-65.7-40.3175.900000112.3Q9 Q10 Q16 Q17Q9-A13 VanDerWaalsContact O-CB 3.32Å; Q9-A13 WeakPolarHBondContact O-CB 2.97Å; Q9-A13 PolarHBondContact O-N 2.96Å; Q10-A13 PolarHBondContact O-N 3.44Å; A13-Q16 PolarHBondContact O-N 3.05Å; A13-Q17 PolarHBondContact O-N 3.27Å
14Q85.3Confident77Confident108 Ų108110.3 Ų110.351%0.50554%0.542SS..Hα-helixtrans-63.9-41.6174.8-177.6176.975.200111.4Q10 L11 Q17 Q18Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.48Å; Q10-Q14 PolarHBondContact O-N 3.28Å; L11-Q14 PolarHBondContact O-N 3.3Å; Q14-Q17 PolarHBondContact O-N 3.46Å; Q14-Q18 PolarHBondContact O-N 3.19Å
15Q78.1Confident77.8Confident125 Ų125110.3 Ų110.358%0.58454%0.544SS*.Hα-helixtrans-64.9-40.8175.4-170.9174.374.700111.8L11 A12 Q18 V19L11-Q15 WeakPolarHBondContact O-CB 3.47Å; L11-Q15 PolarHBondContact O-N 3.01Å; A12-Q15 PolarHBondContact O-N 3.11Å; Q15-Q18 PolarHBondContact O-N 3.07Å; Q15-V19 WeakPolarHBondContact O-CG2 3.48Å; Q15-V19 PolarHBondContact O-N 2.96Å
16Q76.3Confident78Confident149 Ų149108 Ų10870%0.69653%0.534SS*.Hα-helixtrans-63.3-41.4172.9-75-174.9-0.400112.4A12 A13 Q18 V19 Q20A12-Q16 WeakPolarHBondContact O-CG 3.46Å; A12-Q16 PolarHBondContact O-N 3.11Å; A13-Q16 PolarHBondContact O-N 3.05Å; Q16-Q18 PolarHBondContact O-N 3.34Å; Q16-V19 PolarHBondContact O-N 2.97Å; Q16-Q20 WeakPolarHBondContact O-CB 3.22Å; Q16-Q20 PolarHBondContact O-N 2.97Å
17Q82.1Confident78.3Confident131 Ų131108 Ų10861%0.61253%0.533SS*.Hα-helixtrans-62.5-39.7174.1-88.4-172.1-1500112.8A13 Q14 Q20 Q21A13-Q17 PolarHBondContact O-N 3.27Å; Q14-Q17 PolarHBondContact O-N 3.46Å; Q17-Q20 PolarHBondContact O-N 2.67Å; Q17-Q21 PolarHBondContact O-N 3.06Å
18Q79.6Confident78.3Confident131 Ų131111.4 Ų111.461%0.61255%0.547SS*.Hα-helixtrans-63.5-44.6174.7-77.5-173.8-8.200112Q14 Q15 Q16 Q20 Q21 Q22Q14-Q18 PolarHBondContact O-N 3.19Å; Q15-Q18 PolarHBondContact O-N 3.07Å; Q16-Q18 PolarHBondContact O-N 3.34Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-Q20 PolarHBondContact O-N 3.16Å; Q18-Q21 PolarHBondContact O-N 3.14Å; Q18-Q22 WeakPolarHBondContact O-CB 3.44Å; Q18-Q22 PolarHBondContact O-N 3.1Å
19V78.9Confident78.4Confident65 Ų65109.7 Ų109.739%0.39454%0.544SS..Hα-helixtrans-62.3-41.8175.8171.90000111.1Q15 Q16 Q22 Q23Q15-V19 WeakPolarHBondContact O-CG2 3.48Å; Q15-V19 PolarHBondContact O-N 2.96Å; Q16-V19 PolarHBondContact O-N 2.97Å; V19-Q22 PolarHBondContact O-N 3.27Å; V19-Q23 WeakPolarHBondContact O-CG 3.46Å; V19-Q23 PolarHBondContact O-N 3Å
20Q78.7Confident78.1Confident123 Ų123107.2 Ų107.258%0.57554%0.538SS*.Hα-helixtrans-66.6-40.7177.6-168.9174.946.700112.3Q16 Q17 Q18 Q23 L24Q16-Q20 WeakPolarHBondContact O-CB 3.22Å; Q16-Q20 PolarHBondContact O-N 2.97Å; Q17-Q20 PolarHBondContact O-N 2.67Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-Q20 PolarHBondContact O-N 3.16Å; Q20-Q23 PolarHBondContact O-N 3.03Å; Q20-L24 HydrophobicContact CG-CD1 4.48Å; Q20-L24 WeakPolarHBondContact O-CG 3.47Å; Q20-L24 PolarHBondContact O-N 2.97Å
21Q80.1Confident77.8Confident136 Ų136103.9 Ų103.964%0.63653%0.527SS*.Hα-helixtrans-61.1-43.7170.9-93-165.143.600111.9Q17 Q18 Q23 L24 Q25Q17-Q21 PolarHBondContact O-N 3.06Å; Q18-Q21 PolarHBondContact O-N 3.14Å; Q21-Q23 VanDerWaalsContact C-N 3.32Å; Q21-Q23 PolarHBondContact O-N 3.15Å; Q21-L24 PolarHBondContact O-N 3.15Å; Q21-Q25 WeakPolarHBondContact O-CB 3.49Å; Q21-Q25 PolarHBondContact O-N 3.33Å
22Q77.4Confident77.5Confident73 Ų73104.3 Ų104.334%0.34153%0.526SS..Hα-helixtrans-62.8-39178.4-171.6173.663.400111.7Q18 V19 Q25 Q26Q18-Q22 WeakPolarHBondContact O-CB 3.44Å; Q18-Q22 PolarHBondContact O-N 3.1Å; V19-Q22 PolarHBondContact O-N 3.27Å; Q22-Q25 PolarHBondContact O-N 3.06Å; Q22-Q26 WeakPolarHBondContact O-CG 3.36Å; Q22-Q26 PolarHBondContact O-N 3.38Å
23Q77.7Confident76.9Confident126 Ų126105.2 Ų105.259%0.58952%0.522SS*.Hα-helixtrans-65.6-42.7173.3-72.4178.214.100112.4V19 Q20 Q21 Q25 Q26 H27V19-Q23 WeakPolarHBondContact O-CG 3.46Å; V19-Q23 PolarHBondContact O-N 3Å; Q20-Q23 PolarHBondContact O-N 3.03Å; Q21-Q23 VanDerWaalsContact C-N 3.32Å; Q21-Q23 PolarHBondContact O-N 3.15Å; Q23-Q25 VanDerWaalsContact C-N 3.31Å; Q23-Q25 PolarHBondContact O-N 3.29Å; Q23-Q26 PolarHBondContact O-N 3.33Å; Q23-H27 WeakPolarHBondContact O-CB 3.4Å; Q23-H27 PolarHBondContact O-N 2.88Å
24L78.6Confident76.5Confident106 Ų106107.7 Ų107.756%0.55553%0.528SS*.Hα-helixtrans-62.6-37.8174.7-77165.9000112.1Q20 Q21 H27 Q28Q20-L24 HydrophobicContact CG-CD1 4.48Å; Q20-L24 WeakPolarHBondContact O-CG 3.47Å; Q20-L24 PolarHBondContact O-N 2.97Å; Q21-L24 PolarHBondContact O-N 3.15Å; L24-H27 PolarHBondContact O-N 3.32Å; L24-Q28 PolarHBondContact O-N 3.1Å
25Q77.4Confident75.9Confident132 Ų132108.1 Ų108.162%0.61753%0.53SS*.Hα-helixtrans-70.3-42.4178.1-155.817272.400111.1Q21 Q22 Q23 H27 Q28 V29Q21-Q25 WeakPolarHBondContact O-CB 3.49Å; Q21-Q25 PolarHBondContact O-N 3.33Å; Q22-Q25 PolarHBondContact O-N 3.06Å; Q23-Q25 VanDerWaalsContact C-N 3.31Å; Q23-Q25 PolarHBondContact O-N 3.29Å; Q25-H27 VanDerWaalsContact C-N 3.32Å; Q25-H27 PolarHBondContact O-N 3.48Å; Q25-Q28 PolarHBondContact O-N 2.88Å; Q25-V29 WeakPolarHBondContact O-CG2 3.44Å; Q25-V29 PolarHBondContact O-N 3.45Å
26Q70.3Confident75.3Confident85 Ų85107 Ų10740%0.39753%0.525SS..Hα-helixtrans-61.1-40.4170.3-73.4-173.240.900111.8Q22 Q23 V29 V30Q22-Q26 WeakPolarHBondContact O-CG 3.36Å; Q22-Q26 PolarHBondContact O-N 3.38Å; Q23-Q26 PolarHBondContact O-N 3.33Å; Q26-V29 PolarHBondContact O-N 2.9Å; Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 3.23Å
27H75Confident74.6Confident117 Ų117104.3 Ų104.354%0.54251%0.512SS..Hα-helixtrans-63.1-43176.5-170.875.3000111.8Q23 L24 Q25 V29 V30 V31Q23-H27 WeakPolarHBondContact O-CB 3.4Å; Q23-H27 PolarHBondContact O-N 2.88Å; L24-H27 PolarHBondContact O-N 3.32Å; Q25-H27 VanDerWaalsContact C-N 3.32Å; Q25-H27 PolarHBondContact O-N 3.48Å; H27-V29 PolarHBondContact O-N 3.16Å; H27-V30 PolarHBondContact O-N 3.17Å; H27-V31 WeakPolarHBondContact O-CB 3.38Å; H27-V31 VanDerWaalsContact O-CG2 3.31Å; H27-V31 WeakPolarHBondContact O-CG2 3.47Å; H27-V31 PolarHBondContact O-N 3.43Å
28Q76.4Confident73.5Confident146 Ų146100.4 Ų100.468%0.68250%0.502SS*.Hα-helixtrans-60.7-42.1172.6-80.6-165.22100112.6L24 Q25 V30 V31 Q32L24-Q28 PolarHBondContact O-N 3.1Å; Q25-Q28 PolarHBondContact O-N 2.88Å; Q28-V30 PolarHBondContact O-N 3.14Å; Q28-V31 PolarHBondContact O-N 3.14Å; Q28-Q32 VanDerWaalsContact O-CB 3.29Å; Q28-Q32 WeakPolarHBondContact O-CB 3.08Å; Q28-Q32 PolarHBondContact O-N 3.3Å
29V74.1Confident72.3Confident72 Ų72100.3 Ų100.344%0.43650%0.502SS..Hα-helixtrans-62.2-42.8177.3171.40000111.1Q25 Q26 H27 Q32 Q33Q25-V29 WeakPolarHBondContact O-CG2 3.44Å; Q25-V29 PolarHBondContact O-N 3.45Å; Q26-V29 PolarHBondContact O-N 2.9Å; H27-V29 PolarHBondContact O-N 3.16Å; V29-Q32 PolarHBondContact O-N 2.86Å; V29-Q33 WeakPolarHBondContact O-CB 3.48Å; V29-Q33 PolarHBondContact O-N 3.49Å
30V71.9Confident71.2Confident83 Ų83101.4 Ų101.450%0.50350%0.503SS..Hα-helixtrans-64.5-43.7175.61720000111.5Q26 H27 Q28 Q32 Q33 N34Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 3.23Å; H27-V30 PolarHBondContact O-N 3.17Å; Q28-V30 PolarHBondContact O-N 3.14Å; V30-Q32 PolarHBondContact O-N 2.83Å; V30-Q33 PolarHBondContact O-N 3.19Å; V30-N34 WeakPolarHBondContact O-CB 3.27Å; V30-N34 PolarHBondContact O-N 2.92Å
31V74.9Confident69.9Low65 Ų65100.8 Ų100.839%0.39450%0.503SS..Hα-helixtrans-63.2-41.6176.6169.70000111.3H27 Q28 N34 Q35H27-V31 WeakPolarHBondContact O-CB 3.38Å; H27-V31 VanDerWaalsContact O-CG2 3.31Å; H27-V31 WeakPolarHBondContact O-CG2 3.47Å; H27-V31 PolarHBondContact O-N 3.43Å; Q28-V31 PolarHBondContact O-N 3.14Å; V31-N34 PolarHBondContact O-N 3.46Å; V31-Q35 PolarHBondContact O-N 3.36Å
32Q73.4Confident68.4Low118 Ų11898 Ų9855%0.55150%0.499SS*.Hα-helixtrans-68-39.8177.8-173.6170.882.100112Q28 V29 V30 N34 Q35 Q36Q28-Q32 VanDerWaalsContact O-CB 3.29Å; Q28-Q32 WeakPolarHBondContact O-CB 3.08Å; Q28-Q32 PolarHBondContact O-N 3.3Å; V29-Q32 PolarHBondContact O-N 2.86Å; V30-Q32 PolarHBondContact O-N 2.83Å; Q32-N34 VanDerWaalsContact C-N 3.34Å; Q32-Q35 PolarHBondContact O-N 3.29Å; Q32-Q36 WeakPolarHBondContact O-CG 3.41Å; Q32-Q36 PolarHBondContact O-N 2.89Å
33Q68.1Low67.1Low67 Ų6798.8 Ų98.831%0.31351%0.512SS..Hα-helixtrans-63.4-39.9173.3-175.8173.878.400111.6V29 V30 Q36 Q37V29-Q33 WeakPolarHBondContact O-CB 3.48Å; V29-Q33 PolarHBondContact O-N 3.49Å; V30-Q33 PolarHBondContact O-N 3.19Å; Q33-Q36 PolarHBondContact O-N 3.35Å; Q33-Q37 PolarHBondContact O-N 2.78Å
34N71.4Confident65.5Low104 Ų10499 Ų9956%0.55652%0.517SS*.Hα-helixtrans-69.1-37.8177.1-158.4-1000111.8V30 V31 Q32 Q37 A38V30-N34 WeakPolarHBondContact O-CB 3.27Å; V30-N34 PolarHBondContact O-N 2.92Å; V31-N34 PolarHBondContact O-N 3.46Å; Q32-N34 VanDerWaalsContact C-N 3.34Å; N34-Q37 PolarHBondContact O-N 3.06Å; N34-A38 PolarHBondContact O-N 3.29Å
35Q74.5Confident63.7Low117 Ų11799.7 Ų99.755%0.54753%0.526SS..Hα-helixtrans-62.1-42169.3-100.7178.122.900112.5V31 Q32 Q37 A38 H39V31-Q35 PolarHBondContact O-N 3.36Å; Q32-Q35 PolarHBondContact O-N 3.29Å; Q35-Q37 VanDerWaalsContact C-N 3.34Å; Q35-Q37 PolarHBondContact O-N 2.83Å; Q35-A38 WeakPolarHBondContact O-CB 3.46Å; Q35-A38 PolarHBondContact O-N 2.77Å; Q35-H39 PolarHBondContact O-CD2 3.16Å; Q35-H39 PolarHBondContact O-N 3.47Å
36Q65.2Low62.1Low101 Ų10199.8 Ų99.847%0.47254%0.536SS..Hα-helixtrans-63.9-38.7176.1-72.7171.610.400111.9Q32 Q33 H39 Q40Q32-Q36 WeakPolarHBondContact O-CG 3.41Å; Q32-Q36 PolarHBondContact O-N 2.89Å; Q33-Q36 PolarHBondContact O-N 3.35Å; Q36-H39 PolarHBondContact O-N 3.02Å; Q36-Q40 WeakPolarHBondContact O-CG 3.37Å; Q36-Q40 PolarHBondContact O-N 3.04Å
37Q62Low60.5Low92 Ų92100.2 Ų100.243%0.4355%0.554SS.*Hα-helixtrans-65.4-38.6171.7-75.4-179.5-1700112.5Q33 N34 Q35 H39 Q40 N41Q33-Q37 PolarHBondContact O-N 2.78Å; N34-Q37 PolarHBondContact O-N 3.06Å; Q35-Q37 VanDerWaalsContact C-N 3.34Å; Q35-Q37 PolarHBondContact O-N 2.83Å; Q37-H39 VanDerWaalsContact C-N 3.33Å; Q37-H39 PolarHBondContact O-N 3.47Å; Q37-Q40 PolarHBondContact O-N 2.98Å; Q37-N41 PolarHBondContact O-N 2.79Å
38A57Low58.7Low49 Ų4997.9 Ų97.941%0.40556%0.561SS.*Hα-helixtrans-61.4-41.1173.500000111.9N34 Q35 N41 S42N34-A38 PolarHBondContact O-N 3.29Å; Q35-A38 WeakPolarHBondContact O-CB 3.46Å; Q35-A38 PolarHBondContact O-N 2.77Å; A38-N41 PolarHBondContact O-N 3.03Å; A38-S42 PolarHBondContact O-N 2.87Å; A38-S42 PolarHBondContact O-OG 3.42Å; A38-S42 VanDerWaalsContact O-OG 3.13Å
39H54.9Low56.9Low129 Ų12998.5 Ų98.560%0.59758%0.575SS**Hα-helixtrans-66.5-40.8174.1-72-58.9000113Q35 Q36 Q37 N41 S42 S43Q35-H39 PolarHBondContact O-CD2 3.16Å; Q35-H39 PolarHBondContact O-N 3.47Å; Q36-H39 PolarHBondContact O-N 3.02Å; Q37-H39 VanDerWaalsContact C-N 3.33Å; Q37-H39 PolarHBondContact O-N 3.47Å; H39-N41 VanDerWaalsContact C-N 3.33Å; H39-N41 PolarHBondContact O-N 2.88Å; H39-S42 PolarHBondContact O-N 2.82Å; H39-S43 PolarHBondContact O-N 3.38Å; H39-S43 PolarHBondContact O-OG 3.43Å
40Q56.3Low55.2Low89 Ų8998.1 Ų98.142%0.41659%0.585SS.*Hα-helixtrans-61-40.8174-73.3-1788.800112.1Q36 Q37 S43 N44Q36-Q40 WeakPolarHBondContact O-CG 3.37Å; Q36-Q40 PolarHBondContact O-N 3.04Å; Q37-Q40 PolarHBondContact O-N 2.98Å; Q40-S43 WeakPolarHBondContact CA-OG 3.44Å; Q40-S43 PolarHBondContact O-N 2.9Å; Q40-S43 PolarHBondContact O-OG 3.43Å; Q40-N44 PolarHBondContact O-N 2.83Å
41N50.5Low53.5Low109 Ų109100.8 Ų100.858%0.58360%0.602SS**Hα-helixtrans-66-39.1174.9-73.8-19.7000112.3Q37 A38 H39 S43 N44 T45Q37-N41 PolarHBondContact O-N 2.79Å; A38-N41 PolarHBondContact O-N 3.03Å; H39-N41 VanDerWaalsContact C-N 3.33Å; H39-N41 PolarHBondContact O-N 2.88Å; N41-S43 VanDerWaalsContact C-N 3.35Å; N41-S43 PolarHBondContact O-N 3.25Å; N41-N44 PolarHBondContact O-N 3.46Å; N41-T45 PolarHBondContact O-N 2.89Å; N41-T45 PolarHBondContact O-OG1 3.4Å
42S49.8Very low51.9Low78 Ų78105.8 Ų105.855%0.54562%0.621SS.*Hα-helixtrans-60.5-41.3172.5-61.50000112.4A38 H39 N44 T45A38-S42 PolarHBondContact O-N 2.87Å; A38-S42 PolarHBondContact O-OG 3.42Å; A38-S42 VanDerWaalsContact O-OG 3.13Å; H39-S42 PolarHBondContact O-N 2.82Å; S42-N44 VanDerWaalsContact C-N 3.29Å; S42-N44 PolarHBondContact O-N 3.12Å; S42-T45 PolarHBondContact O-N 3.36Å
43S49.2Very low50.1Low89 Ų89108 Ų10862%0.62263%0.631SS**Hα-helixtrans-67.9-22.7176.342.40000114.5H39 Q40 N41H39-S43 PolarHBondContact O-N 3.38Å; H39-S43 PolarHBondContact O-OG 3.43Å; Q40-S43 WeakPolarHBondContact CA-OG 3.44Å; Q40-S43 PolarHBondContact O-N 2.9Å; Q40-S43 PolarHBondContact O-OG 3.43Å; N41-S43 VanDerWaalsContact C-N 3.35Å; N41-S43 PolarHBondContact O-N 3.25Å
44N44.8Very low48.9Very low130 Ų130112.1 Ų112.170%0.69566%0.655SS**Hα-helixtrans-84.8-5.8175.3-101.1-9.8000114Q40 N41 S42 T46Q40-N44 PolarHBondContact O-N 2.83Å; N41-N44 PolarHBondContact O-N 3.46Å; S42-N44 VanDerWaalsContact C-N 3.29Å; S42-N44 PolarHBondContact O-N 3.12Å; N44-T46 VanDerWaalsContact C-N 3.27Å; N44-T46 PolarHBondContact O-N 3.18Å
45T41.2Very low47.2Very low121 Ų121116.7 Ų116.774%0.74267%0.67SS**THydrogen-bonded Turntrans-90.624.6-175.6-43.70000113.2N41 S42N41-T45 PolarHBondContact O-N 2.89Å; N41-T45 PolarHBondContact O-OG1 3.4Å; S42-T45 PolarHBondContact O-N 3.36Å
46T44.2Very low45.3Very low134 Ų134117.2 Ų117.282%0.82268%0.682SS**THydrogen-bonded Turntrans-121.1-3.9178.8-55.80000113.8N44N44-T46 VanDerWaalsContact C-N 3.27Å; N44-T46 PolarHBondContact O-N 3.18Å
47A36.8Very low43.8Very low94 Ų94122.8 Ų122.878%0.77770%0.7SS**SBendtrans-112.4103169.700000109.4
48G36.3Very low42.6Very low68 Ų68127.9 Ų127.970%0.70172%0.72SS**  trans-89.9167.7-164.900000116.9
49V39.5Very low41.8Very low160 Ų160133.5 Ų133.597%0.9774%0.741SS**  trans76.4112.8160-160.40000117.1
50G37.7Very low40.8Very low63 Ų63132.2 Ų132.265%0.64975%0.752SS**  trans170.168169.800000117.6
51T37Very low39.8Very low139 Ų139133.2 Ų133.285%0.85377%0.769SS**  trans55.5114.9159.753.80000120.3
52Q41.3Very low39Very low171 Ų171133.4 Ų133.480%0.79978%0.779SS**  trans-62138.2163.5-69.7-98.427.500112
53Q35.4Very low38Very low164 Ų164139.4 Ų139.477%0.76680%0.795SS**  trans-133115.8158.4-77.8-65.4-7.600109.9F55Q53-F55 PolarHBondContact O-N 2.88Å
54L41.8Very low37.7Very low153 Ų153141 Ų14180%0.80180%0.803SS**  trans-80.8113.7179.1-76.6158.5000109.9
55F36.6Very low36.9Very low200 Ų200142 Ų14288%0.87781%0.809SS**  trans-108.8114.3163.1-96.7-90000110.6Q53Q53-F55 PolarHBondContact O-N 2.88Å
56T34.4Very low37.9Very low129 Ų129141.4 Ų141.479%0.79181%0.807SS**  trans-77.5129.4-179.945.80000111.1K58T56-K58 PolarHBondContact O-N 2.82Å
57Y32.9Very low37.3Very low217 Ų217139.3 Ų139.385%0.85180%0.804SS**  trans-73.5124176-147.5-98000109.8M59Y57-M59 HydrophobicContact CD1-CG 4.44Å; Y57-M59 HydrophobicContact CE1-CG 4.47Å
58K36.4Very low37.2Very low199 Ų199141.2 Ų141.287%0.86581%0.806SS**  trans-128.1113174.3-156.6173.9-173.91800109.9T56T56-K58 PolarHBondContact O-N 2.82Å
59M39.9Very low37.3Very low168 Ų168144 Ų14483%0.82881%0.809SS**  trans-76.1138.4174.7-54.7-166.8-158.800110.4Y57Y57-M59 HydrophobicContact CD1-CG 4.44Å; Y57-M59 HydrophobicContact CE1-CG 4.47Å
60A35.1Very low36.9Very low101 Ų101144.6 Ų144.684%0.83580%0.803SS**  trans-153.9122.7157.100000110
61S35.4Very low36.7Very low110 Ų110146.1 Ų146.177%0.76981%0.81SS**  trans-83.2178.4172480000112.1
62S33.5Very low36.4Very low113 Ų113147.9 Ų147.979%0.7981%0.809SS**  trans80.8123165.933.50000120.5
63F29Very low36.1Very low204 Ų204146.3 Ų146.390%0.89581%0.81SS**  trans-56.3174.6161.8-59.7-90.7000113.4
64P41.7Very low36.1Very low122 Ų122144.8 Ų144.879%0.79281%0.812SS**  cis-142.1178.615.940-18.6000119.2
65N28.1Very low35.7Very low151 Ų151141.5 Ų141.581%0.80781%0.807SS**  trans-49178.4160.1-89.4-12.8000115.9
66P62.7Low35.5Very low110 Ų110138.1 Ų138.171%0.71480%0.803SS**  cis-141.8-178.2-40.240.9-23.6000114.6
67A31.6Very low35.6Very low90 Ų90136.4 Ų136.474%0.74480%0.796SS**  trans77.7152.9153.200000121.8
68T34.5Very low35.7Very low134 Ų134133.4 Ų133.482%0.82280%0.795SS**  trans101.3139.1162.3-43.60000118.4
69T39.1Very low35.5Very low125 Ų125128 Ų12877%0.76779%0.787SS**  trans103.596.3169.6-420000113.5
70M30.9Very low35.1Very low173 Ų173125.4 Ų125.485%0.85279%0.792SS**  65.298.257-71.5-71.3-130.500116
71A33.9Very low35Very low96 Ų96123.6 Ų123.679%0.79378%0.784SS**  trans175.496.9147.200000108.3
72Q30.4Very low34.8Very low176 Ų176124.8 Ų124.882%0.82279%0.786SS**  48.8116.184.8-92.7-173.4-91.700116.8
73V34.9Very low35Very low138 Ų138126.1 Ų126.184%0.83679%0.79SS**  -155121.4116.2-94.20000111.2
74V34.7Very low35.3Very low132 Ų132120 Ų12080%0.879%0.785SS**  trans5.5145.6143.3-99.30000119.3
75A33.7Very low34.8Very low84 Ų84125 Ų12569%0.69479%0.79SS**  cis-157.5-1715.100000109.7
76T33.4Very low35.2Very low129 Ų129125 Ų12579%0.79179%0.789SS**  cis-157.3-175.512.3-24.10000111.8
77S35.7Very low33.9Very low92 Ų92129.1 Ų129.164%0.64379%0.792SS**  trans-20.3155.6158.655.50000120
78N35Very low34.3Very low154 Ų154135.9 Ų135.982%0.82480%0.799SS**  cis-158.1134.34.4-112.74.4000107.3
79A31.9Very low34.5Very low86 Ų86137 Ų13771%0.71180%0.799SS**  81.7122.184.500000116.6
80A32.2Very low34.4Very low113 Ų113137.8 Ų137.893%0.93480%0.798SS**  trans63.9142.517000000118.5
81G32.4Very low34.8Very low64 Ų64138.1 Ų138.166%0.6680%0.8SS**  cis179.4166.3-5.700000111.7
82T32.4Very low35Very low134 Ų134137.4 Ų137.482%0.82279%0.794SS**  trans21.8132.8151.858.20000119.5
83T36.6Very low35.3Very low141 Ų141138.1 Ų138.187%0.86580%0.797SS**  cis-179.2161.318.612.70000108.2
84G35.3Very low35.3Very low77 Ų77136.3 Ų136.379%0.79480%0.797SS**  trans127127.4155.500000116.1
85Y31.7Very low35.4Very low226 Ų226134.9 Ų134.989%0.88680%0.799SS**  trans-90.2147.1174.2-60.5-98.1000111.1
86D36.8Very low35.4Very low150 Ų150135.6 Ų135.680%0.80280%0.804SS**  trans-154.9153.8134-148.3-18.7000111.7
87Y35.8Very low35.3Very low197 Ų197134.4 Ų134.477%0.77381%0.808SS**  trans-106.2132.8178.5-78.5-107000110.5
88R39.7Very low35.2Very low233 Ų233134.9 Ų134.988%0.87982%0.817SS**  trans164.5156.2158.8-91.4146-151.2-130.412.4108.5
89L38.3Very low35.3Very low157 Ų157132.1 Ų132.182%0.82282%0.816SS**  cis-160.1147.8-25.5-175.772.2000105.8M91L89-M91 PolarHBondContact O-N 2.82Å
90N36.8Very low35.7Very low141 Ų141134.8 Ų134.875%0.75482%0.823SS**  trans-39.4128.5166.617813.6000114
91M38.7Very low36.4Very low180 Ų180135.3 Ų135.389%0.88782%0.817SS**  trans-132.9119.4153.4-119-164.182.500110.3L89L89-M91 PolarHBondContact O-N 2.82Å
92A38.4Very low36.9Very low81 Ų81135.8 Ų135.867%0.66982%0.822SS**  trans-72.2140.3171.700000110.4
93Q36.6Very low37.3Very low192 Ų192134.1 Ų134.190%0.89782%0.816SS**  trans-107.3101.5170.1-167.4160.16.400109.9
94A35.6Very low37.5Very low100 Ų100136.9 Ų136.983%0.82682%0.819SS**  trans-75131.116500000109.2
95A36.9Very low37.7Very low102 Ų102142 Ų14284%0.84381%0.814SS**  trans-117.7122.4165.400000108
96A33.1Very low38.2Very low98 Ų98141 Ų14181%0.8181%0.809SS**  trans-101.4178.9-173.900000112.3
97A31.3Very low38.5Very low104 Ų104145 Ų14586%0.8681%0.814SS**  trans74.8135.217200000115.4
98A34.2Very low39Very low102 Ų102139.3 Ų139.384%0.84380%0.804SS**  cis-152.7158.525.800000111.8
99A36.9Very low39.6Very low97 Ų97132.4 Ų132.480%0.80280%0.796SS**  trans-100.7137.2175.400000111.6
100V40.2Very low40.3Very low141 Ų141128.5 Ų128.586%0.85579%0.786SS**  trans-139130.5157.4-178.80000107.5
101P47.6Very low40.9Very low124 Ų124127.3 Ų127.381%0.80578%0.78SS**  trans-94.3160.3-175.536.7-34.9000113.2
102G42Very low41.5Very low74 Ų74125.4 Ų125.476%0.76377%0.769SS**  trans95.587.6153.800000116.5
103S40.2Very low42.1Very low99 Ų99123.8 Ų123.869%0.69276%0.76SS**  trans-159.688.7153.7-85.50000109.9W105S103-W105 PolarHBondContact O-N 3.34Å
104Q41.8Very low42.8Very low199 Ų199121.1 Ų121.193%0.9375%0.748SS**  trans-72.4109.3164.4-76.5-176.8-13.900108.3
105W38.8Very low43.7Very low184 Ų184120.6 Ų120.670%0.69773%0.734SS**  trans-117.5132.2162.9-68.794.9000108.7S103 Y107S103-W105 PolarHBondContact O-N 3.34Å; W105-Y107 PolarHBondContact O-N 3.29Å
106W43.6Very low44.7Very low207 Ų207120.3 Ų120.378%0.78472%0.718SS**PPolyproline II helixtrans-55.2117.6177.639.7-87.4000110
107Y42.2Very low45.8Very low233 Ų233118.5 Ų118.591%0.91470%0.704SS**PPolyproline II helixtrans-80.8120.3161.1-96-88.8000108.4W105 A109W105-Y107 PolarHBondContact O-N 3.29Å; Y107-A109 PolarHBondContact O-N 3.01Å
108S47Very low47.4Very low78 Ų78119.3 Ų119.355%0.54569%0.694SS.*PPolyproline II helixtrans-64120.2176.6-174.20000109.9A110S108-A110 PolarHBondContact O-N 2.6Å
109A51.8Low49Very low87 Ų87117.8 Ų117.872%0.71967%0.674SS**THydrogen-bonded Turntrans-63.3-3-175.600000114.6Y107Y107-A109 PolarHBondContact O-N 3.01Å
110A52Low50.5Low75 Ų75115.5 Ų115.562%0.6266%0.655SS**THydrogen-bonded Turntrans-69.2-29.5-178.900000114.6S108S108-A110 PolarHBondContact O-N 2.6Å
111N51Low52.2Low116 Ų116111.2 Ų111.262%0.6263%0.634SS**THydrogen-bonded Turntrans-89-19.5-174.6-92.8-32.7000114.6Q114 V115N111-Q114 PolarHBondContact O-N 2.89Å; N111-V115 PolarHBondContact O-N 2.8Å
112Q50Low53.7Low140 Ų140112.1 Ų112.165%0.65463%0.628SS**Hα-helixtrans-71.4-44.9-174-159.3152.514.900111.4Q114 V115 D116Q112-Q114 PolarHBondContact O-N 2.99Å; Q112-Q114 VanDerWaalsContact O-N 3.1Å; Q112-V115 WeakPolarHBondContact O-CG2 3.45Å; Q112-V115 PolarHBondContact O-N 2.85Å; Q112-D116 VanDerWaalsContact O-CG 3.26Å; Q112-D116 PolarHBondContact O-N 3.41Å
113G51.5Low55.5Low47 Ų47113.5 Ų113.549%0.48562%0.617SS.*Hα-helixtrans-61.5-20.5174.100000114.7A117G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 2.82Å
114Q51.6Low57.4Low137 Ų137115.7 Ų115.764%0.6462%0.616SS**Hα-helixtrans-84.2-34.7-178.9-146.5172.28.200112.5N111 Q112 N118N111-Q114 PolarHBondContact O-N 2.89Å; Q112-Q114 PolarHBondContact O-N 2.99Å; Q112-Q114 VanDerWaalsContact O-N 3.1Å; Q114-N118 WeakPolarHBondContact O-CB 3.45Å; Q114-N118 PolarHBondContact O-N 3.35Å
115V54.9Low59.3Low88 Ų88111 Ų11153%0.53359%0.594SS.*Hα-helixtrans-73.7-37.4168.5-71.10000111.8N111 Q112 N118 T119N111-V115 PolarHBondContact O-N 2.8Å; Q112-V115 WeakPolarHBondContact O-CG2 3.45Å; Q112-V115 PolarHBondContact O-N 2.85Å; V115-N118 PolarHBondContact O-N 3.05Å; V115-T119 VanDerWaalsContact O-CB 3.31Å; V115-T119 WeakPolarHBondContact O-CB 3.44Å; V115-T119 PolarHBondContact O-N 3.06Å; V115-T119 PolarHBondContact O-OG1 2.9Å
116D56.3Low61.4Low96 Ų96108 Ų10851%0.51359%0.588SS.*Hα-helixtrans-63.8-42.9176.1-66.7-28.6000111.6Q112 T119 A120Q112-D116 VanDerWaalsContact O-CG 3.26Å; Q112-D116 PolarHBondContact O-N 3.41Å; D116-T119 PolarHBondContact O-N 3.34Å; D116-A120 VanDerWaalsContact O-CB 3.25Å; D116-A120 WeakPolarHBondContact O-CB 3.43Å; D116-A120 PolarHBondContact O-N 3.03Å
117A57.5Low63.3Low61 Ų61104.8 Ų104.850%0.50458%0.582SS.*Hα-helixtrans-64.9-40.9175.600000113.1G113 A120 A121G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 2.82Å; A117-A120 PolarHBondContact O-N 2.81Å; A117-A121 WeakPolarHBondContact O-CB 3.46Å; A117-A121 PolarHBondContact O-N 3.36Å
118N64.7Low65.3Low121 Ų12197.8 Ų97.865%0.64756%0.557SS**Hα-helixtrans-70.2-37.1179.7-153.2-3.2000111.3Q114 V115 A121 Q122Q114-N118 WeakPolarHBondContact O-CB 3.45Å; Q114-N118 PolarHBondContact O-N 3.35Å; V115-N118 PolarHBondContact O-N 3.05Å; N118-A121 PolarHBondContact O-N 3.2Å; N118-Q122 WeakPolarHBondContact O-CB 3.49Å; N118-Q122 PolarHBondContact O-N 2.94Å
119T66.6Low66.8Low69 Ų6999.3 Ų99.342%0.42356%0.556SS.*Hα-helixtrans-69.4-40174.6-54.60000111.5V115 D116 Q122 L123V115-T119 VanDerWaalsContact O-CB 3.31Å; V115-T119 WeakPolarHBondContact O-CB 3.44Å; V115-T119 PolarHBondContact O-N 3.06Å; V115-T119 PolarHBondContact O-OG1 2.9Å; D116-T119 PolarHBondContact O-N 3.34Å; T119-Q122 PolarHBondContact O-N 3.41Å; T119-L123 HydrophobicContact CG2-CD1 4.18Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 PolarHBondContact O-N 3.03Å
120A69Low68.3Low49 Ų49101.6 Ų101.641%0.40555%0.552SS.*Hα-helixtrans-63.9-4117400000112.4D116 A117 L123 Q124D116-A120 VanDerWaalsContact O-CB 3.25Å; D116-A120 WeakPolarHBondContact O-CB 3.43Å; D116-A120 PolarHBondContact O-N 3.03Å; A117-A120 PolarHBondContact O-N 2.81Å; A120-L123 PolarHBondContact O-N 3.01Å; A120-Q124 PolarHBondContact O-N 2.81Å
121A75.3Confident69.7Low51 Ų51104.5 Ų104.542%0.42155%0.552SS.*Hα-helixtrans-63.8-41.1173.800000111.9A117 N118 Q124 H125A117-A121 WeakPolarHBondContact O-CB 3.46Å; A117-A121 PolarHBondContact O-N 3.36Å; N118-A121 PolarHBondContact O-N 3.2Å; A121-Q124 PolarHBondContact O-N 2.82Å; A121-H125 WeakPolarHBondContact O-CB 3.26Å; A121-H125 PolarHBondContact O-N 3.46Å
122Q79.4Confident71Confident143 Ų143103.2 Ų103.267%0.66854%0.543SS*.Hα-helixtrans-65.8-39.5176.1-167173.143.100112.3N118 T119 H125 Q126N118-Q122 WeakPolarHBondContact O-CB 3.49Å; N118-Q122 PolarHBondContact O-N 2.94Å; T119-Q122 PolarHBondContact O-N 3.41Å; Q122-H125 PolarHBondContact O-N 3.05Å; Q122-Q126 WeakPolarHBondContact O-CB 3.35Å; Q122-Q126 PolarHBondContact O-N 2.87Å
123L81.4Confident72.4Confident104 Ų104102.1 Ų102.155%0.54554%0.538SS..Hα-helixtrans-64.4-43173.1-85159.5000112.4T119 A120 Q126 Q127T119-L123 HydrophobicContact CG2-CD1 4.18Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 PolarHBondContact O-N 3.03Å; A120-L123 PolarHBondContact O-N 3.01Å; L123-Q126 PolarHBondContact O-N 2.69Å; L123-Q127 WeakPolarHBondContact O-CB 3.17Å; L123-Q127 PolarHBondContact O-N 2.86Å
124Q79.7Confident73.8Confident144 Ų144106 Ų10667%0.67354%0.543SS*.Hα-helixtrans-62.6-43.1173.8-78.6-173.7-11.800111.8A120 A121 Q127 Q128A120-Q124 PolarHBondContact O-N 2.81Å; A121-Q124 PolarHBondContact O-N 2.82Å; Q124-Q127 PolarHBondContact O-N 2.81Å; Q124-Q128 WeakPolarHBondContact O-CB 3.19Å; Q124-Q128 PolarHBondContact O-N 2.7Å
125H80.4Confident75.1Confident101 Ų101103.9 Ų103.947%0.46853%0.533SS..Hα-helixtrans-64.7-40.7177-17072.7000112.1A121 Q122 Q128 Q129A121-H125 WeakPolarHBondContact O-CB 3.26Å; A121-H125 PolarHBondContact O-N 3.46Å; Q122-H125 PolarHBondContact O-N 3.05Å; H125-Q128 PolarHBondContact O-N 3.1Å; H125-Q129 PolarHBondContact CD2-NE2 2.87Å; H125-Q129 VanDerWaalsContact CD2-NE2 3.35Å; H125-Q129 PolarHBondContact NE2-NE2 3.23Å; H125-Q129 WeakPolarHBondContact O-CG 3.48Å; H125-Q129 PolarHBondContact O-N 3.46Å
126Q84.3Confident76.2Confident122 Ų122105.2 Ų105.257%0.5753%0.534SS*.Hα-helixtrans-64.1-42.8174.8-175.817492.200112Q122 L123 Q128 Q129 Q130Q122-Q126 WeakPolarHBondContact O-CB 3.35Å; Q122-Q126 PolarHBondContact O-N 2.87Å; L123-Q126 PolarHBondContact O-N 2.69Å; Q126-Q128 VanDerWaalsContact C-N 3.34Å; Q126-Q129 PolarHBondContact O-N 3.3Å; Q126-Q130 WeakPolarHBondContact O-CB 3.33Å; Q126-Q130 PolarHBondContact O-N 2.8Å
127Q83.4Confident77.4Confident138 Ų138106.4 Ų106.465%0.64554%0.536SS*.Hα-helixtrans-63.2-40.3174.9-175.517683.600111.6L123 Q124 Q130 Q131L123-Q127 WeakPolarHBondContact O-CB 3.17Å; L123-Q127 PolarHBondContact O-N 2.86Å; Q124-Q127 PolarHBondContact O-N 2.81Å; Q127-Q130 PolarHBondContact O-N 2.91Å; Q127-Q131 WeakPolarHBondContact O-CB 3.44Å; Q127-Q131 PolarHBondContact O-N 2.88Å
128Q82.6Confident78.4Confident86 Ų86110 Ų11040%0.40254%0.542SS..Hα-helixtrans-65.5-43.1176.5-171.2169.25000112.1Q124 H125 Q126 Q130 Q131 Q132Q124-Q128 WeakPolarHBondContact O-CB 3.19Å; Q124-Q128 PolarHBondContact O-N 2.7Å; H125-Q128 PolarHBondContact O-N 3.1Å; Q126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-Q130 VanDerWaalsContact C-N 3.35Å; Q128-Q130 PolarHBondContact O-N 3.21Å; Q128-Q131 PolarHBondContact O-N 3.34Å; Q128-Q132 WeakPolarHBondContact O-CB 3.42Å; Q128-Q132 PolarHBondContact O-N 2.89Å
129Q79.8Confident79Confident111 Ų111109.1 Ų109.152%0.51953%0.534SS..Hα-helixtrans-60.3-43.5172.4-74.8-169.920.100111.9H125 Q126 Q131 Q132 Q133H125-Q129 PolarHBondContact CD2-NE2 2.87Å; H125-Q129 VanDerWaalsContact CD2-NE2 3.35Å; H125-Q129 PolarHBondContact NE2-NE2 3.23Å; H125-Q129 WeakPolarHBondContact O-CG 3.48Å; H125-Q129 PolarHBondContact O-N 3.46Å; Q126-Q129 PolarHBondContact O-N 3.3Å; Q129-Q131 PolarHBondContact O-N 3.23Å; Q129-Q132 PolarHBondContact O-N 3.31Å; Q129-Q133 WeakPolarHBondContact O-CB 3.28Å; Q129-Q133 PolarHBondContact O-N 3.13Å
130Q82.4Confident79.5Confident134 Ų134111.7 Ų111.763%0.62654%0.541SS*.Hα-helixtrans-64.9-39.6-179.4-164.9173.584.400111.7Q126 Q127 Q128 Q134Q126-Q130 WeakPolarHBondContact O-CB 3.33Å; Q126-Q130 PolarHBondContact O-N 2.8Å; Q127-Q130 PolarHBondContact O-N 2.91Å; Q128-Q130 VanDerWaalsContact C-N 3.35Å; Q128-Q130 PolarHBondContact O-N 3.21Å; Q130-Q134 WeakPolarHBondContact O-CB 3.33Å; Q130-Q134 PolarHBondContact O-N 2.69Å
131Q81.3Confident80Confident137 Ų137114.3 Ų114.364%0.6455%0.545SS*.Hα-helixtrans-66.1-41173.4-171.4174.678.300112.2Q127 Q128 Q129 Q134 Q135Q127-Q131 WeakPolarHBondContact O-CB 3.44Å; Q127-Q131 PolarHBondContact O-N 2.88Å; Q128-Q131 PolarHBondContact O-N 3.34Å; Q129-Q131 PolarHBondContact O-N 3.23Å; Q131-Q134 PolarHBondContact O-N 2.97Å; Q131-Q135 PolarHBondContact O-N 2.76Å
132Q79.5Confident80.1Confident88 Ų88116 Ų11641%0.41154%0.544SS..Hα-helixtrans-66.3-39.2177.3-161.7173.353.500111.8Q128 Q129 Q135 Q136Q128-Q132 WeakPolarHBondContact O-CB 3.42Å; Q128-Q132 PolarHBondContact O-N 2.89Å; Q129-Q132 PolarHBondContact O-N 3.31Å; Q132-Q135 PolarHBondContact O-N 2.92Å; Q132-Q136 PolarHBondContact O-N 3.35Å
133Q79.1Confident79.9Confident118 Ų118115.7 Ų115.755%0.55154%0.543SS*.Hα-helixtrans-65.9-39.9174.7-170.7176.384.300112.1Q129 Q136 Q137Q129-Q133 WeakPolarHBondContact O-CB 3.28Å; Q129-Q133 PolarHBondContact O-N 3.13Å; Q133-Q136 PolarHBondContact O-N 2.7Å; Q133-Q137 WeakPolarHBondContact O-CG 3.23Å; Q133-Q137 PolarHBondContact O-N 3.29Å
134Q80.8Confident79.7Confident128 Ų128117 Ų11760%0.59855%0.547SS*.Hα-helixtrans-65.1-38.7174.8-171.4175.282.300112Q130 Q131 Q137 Q138Q130-Q134 WeakPolarHBondContact O-CB 3.33Å; Q130-Q134 PolarHBondContact O-N 2.69Å; Q131-Q134 PolarHBondContact O-N 2.97Å; Q134-Q137 PolarHBondContact O-N 2.96Å; Q134-Q138 PolarHBondContact O-N 3.45Å
135Q79Confident79.8Confident92 Ų92115.3 Ų115.343%0.4354%0.538SS..Hα-helixtrans-65.8-38.1174.7-169.2173.480.100112Q131 Q132 Q138 Q139Q131-Q135 PolarHBondContact O-N 2.76Å; Q132-Q135 PolarHBondContact O-N 2.92Å; Q135-Q138 PolarHBondContact O-N 3.44Å; Q135-Q139 PolarHBondContact O-N 3Å
136Q78.7Confident79.5Confident117 Ų117115.6 Ų115.655%0.54754%0.54SS..Hα-helixtrans-66-39.1174.2-169.6175.665.300112.3Q132 Q133 Q139 Q140Q132-Q136 PolarHBondContact O-N 3.35Å; Q133-Q136 PolarHBondContact O-N 2.7Å; Q136-Q139 PolarHBondContact O-N 3.37Å; Q136-Q140 PolarHBondContact O-N 3.04Å
137Q79.9Confident79.3Confident121 Ų121115.9 Ų115.957%0.56554%0.543SS*.Hα-helixtrans-63.7-40.1173-71.9-178.628.400112.2Q133 Q134 Q140 H141Q133-Q137 WeakPolarHBondContact O-CG 3.23Å; Q133-Q137 PolarHBondContact O-N 3.29Å; Q134-Q137 PolarHBondContact O-N 2.96Å; Q137-Q140 PolarHBondContact O-N 3.37Å; Q137-H141 WeakPolarHBondContact O-CB 3.43Å; Q137-H141 PolarHBondContact O-N 3.18Å
138Q78.6Confident79Confident135 Ų135114.8 Ų114.863%0.63154%0.538SS*.Hα-helixtrans-61.9-41.9173.8-81.6-172.74.100112.5Q134 Q135 H141 Q142Q134-Q138 PolarHBondContact O-N 3.45Å; Q135-Q138 PolarHBondContact O-N 3.44Å; Q138-H141 PolarHBondContact O-N 2.96Å; Q138-Q142 WeakPolarHBondContact O-CB 3.4Å; Q138-Q142 PolarHBondContact O-N 3.49Å
139Q77.6Confident78.7Confident103 Ų103116.1 Ų116.148%0.48154%0.544SS..Hα-helixtrans-62.1-45.3174.8-76.3-173.3-1.400112.2Q135 Q136 H141 Q142 Q143Q135-Q139 PolarHBondContact O-N 3Å; Q136-Q139 PolarHBondContact O-N 3.37Å; Q139-H141 VanDerWaalsContact C-N 3.34Å; Q139-H141 PolarHBondContact O-N 2.85Å; Q139-Q142 PolarHBondContact O-N 2.91Å; Q139-Q143 VanDerWaalsContact O-CB 3.32Å; Q139-Q143 WeakPolarHBondContact O-CB 3.45Å; Q139-Q143 PolarHBondContact O-N 3.35Å
140Q76.6Confident78.4Confident123 Ų123117.2 Ų117.258%0.57555%0.549SS*.Hα-helixtrans-60.9-43175.9-72.1-175.614.500111.9Q136 Q137 Q143 Q144Q136-Q140 PolarHBondContact O-N 3.04Å; Q137-Q140 PolarHBondContact O-N 3.37Å; Q140-Q143 PolarHBondContact O-N 2.84Å; Q140-Q144 VanDerWaalsContact O-CB 3.3Å; Q140-Q144 WeakPolarHBondContact O-CB 3.19Å; Q140-Q144 PolarHBondContact O-N 3.48Å
141H79.8Confident77.9Confident105 Ų105117 Ų11749%0.48655%0.548SS..Hα-helixtrans-64.9-42.2177.8-170.375.7000112.2Q137 Q138 Q139 Q144 Q145Q137-H141 WeakPolarHBondContact O-CB 3.43Å; Q137-H141 PolarHBondContact O-N 3.18Å; Q138-H141 PolarHBondContact O-N 2.96Å; Q139-H141 VanDerWaalsContact C-N 3.34Å; Q139-H141 PolarHBondContact O-N 2.85Å; H141-Q144 PolarHBondContact O-N 2.77Å; H141-Q145 PolarHBondContact CD2-NE2 3.47Å; H141-Q145 PolarHBondContact NE2-NE2 3.2Å; H141-Q145 PolarHBondContact O-N 2.69Å
142Q77.7Confident77.4Confident85 Ų85116 Ų11640%0.39754%0.543SS..Hα-helixtrans-65.5-39.7176-175.8169.979.600112.1Q138 Q139 Q145 Q146Q138-Q142 WeakPolarHBondContact O-CB 3.4Å; Q138-Q142 PolarHBondContact O-N 3.49Å; Q139-Q142 PolarHBondContact O-N 2.91Å; Q142-Q145 PolarHBondContact O-N 3.42Å; Q142-Q146 PolarHBondContact O-N 3.15Å
143Q75.1Confident76.8Confident137 Ų137116.9 Ų116.964%0.6455%0.547SS*.Hα-helixtrans-67.3-37.1175.3-168.3174.188.400111.7Q139 Q140 Q146 M147Q139-Q143 VanDerWaalsContact O-CB 3.32Å; Q139-Q143 WeakPolarHBondContact O-CB 3.45Å; Q139-Q143 PolarHBondContact O-N 3.35Å; Q140-Q143 PolarHBondContact O-N 2.84Å; Q143-Q146 PolarHBondContact O-N 3.37Å; Q143-M147 WeakPolarHBondContact O-CB 3.39Å; Q143-M147 PolarHBondContact O-N 3.43Å
144Q78.3Confident75.7Confident133 Ų133115.7 Ų115.762%0.62154%0.542SS*.Hα-helixtrans-68.2-38.5173.8-168.9172.580.900112Q140 H141 M147 Q148Q140-Q144 VanDerWaalsContact O-CB 3.3Å; Q140-Q144 WeakPolarHBondContact O-CB 3.19Å; Q140-Q144 PolarHBondContact O-N 3.48Å; H141-Q144 PolarHBondContact O-N 2.77Å; Q144-M147 PolarHBondContact O-N 3.49Å; Q144-Q148 WeakPolarHBondContact O-CB 3.47Å; Q144-Q148 PolarHBondContact O-N 3.32Å
145Q80.1Confident74.9Confident107 Ų107114.2 Ų114.250%0.554%0.538SS..Hα-helixtrans-63.2-42.2170.1-76.4-169.617.900112H141 Q142 Q148 Q149H141-Q145 PolarHBondContact CD2-NE2 3.47Å; H141-Q145 PolarHBondContact NE2-NE2 3.2Å; H141-Q145 PolarHBondContact O-N 2.69Å; Q142-Q145 PolarHBondContact O-N 3.42Å; Q145-Q148 PolarHBondContact O-N 2.69Å; Q145-Q149 VanDerWaalsContact O-CB 3.28Å; Q145-Q149 WeakPolarHBondContact O-CB 3.26Å; Q145-Q149 PolarHBondContact O-N 2.88Å
146Q75.8Confident74Confident107 Ų107114.6 Ų114.650%0.555%0.546SS..Hα-helixtrans-62.8-44.2175.1-76.4-175.5600111.9Q142 Q143 Q148 Q149 Q150Q142-Q146 PolarHBondContact O-N 3.15Å; Q143-Q146 PolarHBondContact O-N 3.37Å; Q146-Q148 PolarHBondContact O-N 2.94Å; Q146-Q149 PolarHBondContact O-N 2.87Å; Q146-Q150 VanDerWaalsContact O-CB 3.28Å; Q146-Q150 WeakPolarHBondContact O-CB 3.34Å; Q146-Q150 PolarHBondContact O-N 3.35Å
147M78.5Confident72.9Confident128 Ų128114 Ų11463%0.63155%0.546SS*.Hα-helixtrans-58.7-44.8172.2-96-107-72.900112.1Q143 Q144 Q150 Q151Q143-M147 WeakPolarHBondContact O-CB 3.39Å; Q143-M147 PolarHBondContact O-N 3.43Å; Q144-M147 PolarHBondContact O-N 3.49Å; M147-Q150 PolarHBondContact O-N 2.84Å; M147-Q151 VanDerWaalsContact O-CB 3.24Å; M147-Q151 WeakPolarHBondContact O-CB 3.46Å; M147-Q151 PolarHBondContact O-N 2.93Å
148Q78.6Confident71.6Confident115 Ų115113.1 Ų113.154%0.53755%0.545SS..Hα-helixtrans-68.4-37179-171.6170.773.300112Q144 Q145 Q146 Q151 Q152Q144-Q148 WeakPolarHBondContact O-CB 3.47Å; Q144-Q148 PolarHBondContact O-N 3.32Å; Q145-Q148 PolarHBondContact O-N 2.69Å; Q146-Q148 PolarHBondContact O-N 2.94Å; Q148-Q151 PolarHBondContact O-N 2.85Å; Q148-Q152 WeakPolarHBondContact O-CB 3.24Å; Q148-Q152 WeakPolarHBondContact O-CG 3.47Å; Q148-Q152 PolarHBondContact O-N 3.43Å
149Q75.3Confident69.9Low115 Ų115111.2 Ų111.254%0.53755%0.547SS..Hα-helixtrans-70.8-38.1175.4-166.1-179.39700111.6Q145 Q146 Q152 Q153Q145-Q149 VanDerWaalsContact O-CB 3.28Å; Q145-Q149 WeakPolarHBondContact O-CB 3.26Å; Q145-Q149 PolarHBondContact O-N 2.88Å; Q146-Q149 PolarHBondContact O-N 2.87Å; Q149-Q152 PolarHBondContact O-N 3.33Å; Q149-Q153 WeakPolarHBondContact O-CG 3.28Å; Q149-Q153 PolarHBondContact O-N 2.92Å
150Q73.3Confident68.4Low133 Ų133109.1 Ų109.162%0.62155%0.547SS*.Hα-helixtrans-66.9-39.2172-175.7174.476.400111.3Q146 M147 Q153 Q154Q146-Q150 VanDerWaalsContact O-CB 3.28Å; Q146-Q150 WeakPolarHBondContact O-CB 3.34Å; Q146-Q150 PolarHBondContact O-N 3.35Å; M147-Q150 PolarHBondContact O-N 2.84Å; Q150-Q153 PolarHBondContact O-N 3.46Å; Q150-Q154 WeakPolarHBondContact O-CB 3.37Å; Q150-Q154 PolarHBondContact O-N 3.37Å
151Q73.1Confident66.5Low129 Ų129107.3 Ų107.360%0.60355%0.548SS*.Hα-helixtrans-69.1-33.9174.2-170.8177.581.600111.9M147 Q148 Q154 N155M147-Q151 VanDerWaalsContact O-CB 3.24Å; M147-Q151 WeakPolarHBondContact O-CB 3.46Å; M147-Q151 PolarHBondContact O-N 2.93Å; Q148-Q151 PolarHBondContact O-N 2.85Å; Q151-Q154 PolarHBondContact O-N 3.38Å; Q151-N155 VanDerWaalsContact O-CB 3.31Å; Q151-N155 WeakPolarHBondContact O-CB 3.37Å; Q151-N155 PolarHBondContact O-N 2.91Å
152Q70.2Confident64.8Low117 Ų117108.3 Ų108.355%0.54756%0.564SS.*Hα-helixtrans-66.9-44.1169.8-79.1179.410.900111.6Q148 Q149 Q154 N155 V156Q148-Q152 WeakPolarHBondContact O-CB 3.24Å; Q148-Q152 WeakPolarHBondContact O-CG 3.47Å; Q148-Q152 PolarHBondContact O-N 3.43Å; Q149-Q152 PolarHBondContact O-N 3.33Å; Q152-Q154 VanDerWaalsContact C-N 3.32Å; Q152-Q154 PolarHBondContact O-N 2.97Å; Q152-N155 CarbonylContact O-C 3.54Å; Q152-N155 PolarHBondContact O-N 3.35Å; Q152-V156 WeakPolarHBondContact O-CG2 3.35Å; Q152-V156 PolarHBondContact O-N 2.96Å
153Q66.5Low63Low106 Ų106112.2 Ų112.250%0.49558%0.584SS.*Hα-helixtrans-59.1-44.5172.3-73.3175.943.400111.1Q149 Q150 N155 V156 I157Q149-Q153 WeakPolarHBondContact O-CG 3.28Å; Q149-Q153 PolarHBondContact O-N 2.92Å; Q150-Q153 PolarHBondContact O-N 3.46Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; Q153-N155 PolarHBondContact O-N 2.95Å; Q153-V156 PolarHBondContact O-N 3.3Å; Q153-I157 WeakPolarHBondContact O-CD1 3.49Å; Q153-I157 VanDerWaalsContact O-CG1 3.24Å; Q153-I157 WeakPolarHBondContact O-CG1 3.42Å; Q153-I157 PolarHBondContact O-N 2.87Å
154Q56.4Low61.4Low94 Ų94110.3 Ų110.344%0.43959%0.586SS.*Hα-helixtrans-65-36.2175.7-16661.460.400112Q150 Q151 Q152 I157 N158Q150-Q154 WeakPolarHBondContact O-CB 3.37Å; Q150-Q154 PolarHBondContact O-N 3.37Å; Q151-Q154 PolarHBondContact O-N 3.38Å; Q152-Q154 VanDerWaalsContact C-N 3.32Å; Q152-Q154 PolarHBondContact O-N 2.97Å; Q154-I157 CarbonylContact O-C 3.58Å; Q154-I157 PolarHBondContact O-N 2.93Å; Q154-N158 PolarHBondContact NE2-OD1 3.4Å; Q154-N158 VanDerWaalsContact NE2-OD1 3.08Å; Q154-N158 VanDerWaalsContact O-CB 3.28Å; Q154-N158 WeakPolarHBondContact O-CB 3.37Å; Q154-N158 PolarHBondContact O-N 2.74Å; Q154-N158 PolarHBondContact O-ND2 2.78Å; Q154-N158 PolarHBondContact O-OD1 3.16Å
155N63.8Low59.9Low97 Ų97114.9 Ų114.952%0.51960%0.597SS.*Hα-helixtrans-69.6-34172.7-96.2-4.5000112.5Q151 Q152 Q153 I157 N158 S159Q151-N155 VanDerWaalsContact O-CB 3.31Å; Q151-N155 WeakPolarHBondContact O-CB 3.37Å; Q151-N155 PolarHBondContact O-N 2.91Å; Q152-N155 CarbonylContact O-C 3.54Å; Q152-N155 PolarHBondContact O-N 3.35Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; Q153-N155 PolarHBondContact O-N 2.95Å; N155-I157 VanDerWaalsContact C-N 3.34Å; N155-N158 PolarHBondContact O-N 2.76Å; N155-S159 WeakPolarHBondContact O-CA 3.29Å; N155-S159 WeakPolarHBondContact O-CB 3.31Å; N155-S159 PolarHBondContact O-N 2.76Å; N155-S159 PolarHBondContact O-OG 3.03Å
156V60.5Low58.2Low99 Ų99116.6 Ų116.660%0.662%0.615SS**Hα-helixtrans-67.3-37.6171.3172.10000110.7Q152 Q153 N158 S159 A160Q152-V156 WeakPolarHBondContact O-CG2 3.35Å; Q152-V156 PolarHBondContact O-N 2.96Å; Q153-V156 PolarHBondContact O-N 3.3Å; V156-N158 VanDerWaalsContact C-N 3.35Å; V156-S159 PolarHBondContact O-OG 3.44Å; V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.44Å; V156-A160 PolarHBondContact O-N 3.11Å
157I55.5Low56.9Low106 Ų106120.3 Ų120.354%0.54463%0.629SS.*Hα-helixtrans-66.5-34.9172.5-68.3162000111.6Q153 Q154 N155Q153-I157 WeakPolarHBondContact O-CD1 3.49Å; Q153-I157 VanDerWaalsContact O-CG1 3.24Å; Q153-I157 WeakPolarHBondContact O-CG1 3.42Å; Q153-I157 PolarHBondContact O-N 2.87Å; Q154-I157 CarbonylContact O-C 3.58Å; Q154-I157 PolarHBondContact O-N 2.93Å; N155-I157 VanDerWaalsContact C-N 3.34Å
158N51.6Low55.6Low101 Ų101117.7 Ų117.754%0.5463%0.628SS.*Hα-helixtrans-86.5-30.3-179.3-64.3-12.7000113.2Q154 N155 V156Q154-N158 PolarHBondContact NE2-OD1 3.4Å; Q154-N158 VanDerWaalsContact NE2-OD1 3.08Å; Q154-N158 VanDerWaalsContact O-CB 3.28Å; Q154-N158 WeakPolarHBondContact O-CB 3.37Å; Q154-N158 PolarHBondContact O-N 2.74Å; Q154-N158 PolarHBondContact O-ND2 2.78Å; Q154-N158 PolarHBondContact O-OD1 3.16Å; N155-N158 PolarHBondContact O-N 2.76Å; V156-N158 VanDerWaalsContact C-N 3.35Å
159S44.8Very low54.6Low95 Ų95118 Ų11866%0.66463%0.633SS**Hα-helixtrans-81.9-21.4176.173.90000112.1N155 V156 S161N155-S159 WeakPolarHBondContact O-CA 3.29Å; N155-S159 WeakPolarHBondContact O-CB 3.31Å; N155-S159 PolarHBondContact O-N 2.76Å; N155-S159 PolarHBondContact O-OG 3.03Å; V156-S159 PolarHBondContact O-OG 3.44Å; S159-S161 PolarHBondContact O-N 3.39Å
160A45Very low54.1Low59 Ų59116.6 Ų116.649%0.48864%0.642SS.*SBendtrans-60.992.2153.600000108.4V156V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.44Å; V156-A160 PolarHBondContact O-N 3.11Å
161S37.5Very low54.1Low85 Ų85115.6 Ų115.659%0.59464%0.636SS**  trans-42.4138.1169.5-129.40000109.5S159 M163S159-S161 PolarHBondContact O-N 3.39Å; S161-M163 VanDerWaalsContact C-N 3.29Å; S161-M163 PolarHBondContact O-N 2.91Å
162P44Very low54.5Low127 Ų127110.2 Ų110.283%0.82561%0.612SS**  trans-6585.7-162.325.4-35.7000112S164P162-S164 PolarHBondContact O-N 3.18Å
163M38.5Very low55.1Low167 Ų167110 Ų11082%0.82361%0.606SS**  trans-68.7110.4178.9-76.2-148.8-75.400108.2S161 R165S161-M163 VanDerWaalsContact C-N 3.29Å; S161-M163 PolarHBondContact O-N 2.91Å; M163-R165 PolarHBondContact O-N 3Å
164S42.7Very low55.9Low97 Ų97107.1 Ų107.168%0.67861%0.605SS**SBendtrans16.996.1149.9169.90000114.2P162 V166P162-S164 PolarHBondContact O-N 3.18Å; S164-V166 PolarHBondContact O-N 3.48Å
165R45.4Very low57.5Low228 Ų228108.5 Ų108.586%0.8661%0.606SS**  trans-7.196.7171.2-73.4-176.1-179.8122.2-2.4112.4M163 K167M163-R165 PolarHBondContact O-N 3Å; R165-K167 PolarHBondContact O-N 2.88Å
166V45.4Very low58.7Low144 Ų144105.3 Ų105.387%0.87359%0.589SS**  trans-64.195.1171.3-179.20000106.7S164S164-V166 PolarHBondContact O-N 3.48Å
167K49.3Very low60.3Low184 Ų184104.6 Ų104.680%0.859%0.585SS**  trans-94.1126.1178-140.7170.7-170.5172.30106.3R165R165-K167 PolarHBondContact O-N 2.88Å
168A51.4Low61.9Low73 Ų73100 Ų10060%0.60356%0.562SS**SBendtrans-50.8150.9-174.700000113
169D57.2Low63.7Low121 Ų12198.7 Ų98.765%0.64755%0.55SS**SBendtrans7276.8158.4-43.2-37.9000117.4K171D169-K171 WeakPolarHBondContact O-CB 3.05Å; D169-K171 PolarHBondContact O-N 2.89Å
170A64.2Low66Low87 Ų8795.8 Ų95.872%0.71953%0.532SS*.SBendtrans54.81.2151.800000118.7Y241A170-Y241 HydrophobicContact CB-CE2 4Å; A170-Y241 WeakPolarHBondContact O-CD2 3.41Å; A170-Y241 VanDerWaalsContact O-CE2 3.24Å; A170-Y241 WeakPolarHBondContact O-CE2 3.3Å
171K73.4Confident68.1Low112 Ų11295.2 Ų95.249%0.48752%0.517SS..  trans-84.9127.9-166.1-172.9168.9-174.5161.90111.9D169 R173 Y241D169-K171 WeakPolarHBondContact O-CB 3.05Å; D169-K171 PolarHBondContact O-N 2.89Å; K171-R173 PolarHBondContact O-N 3.36Å; K171-Y241 HydrophobicContact CB-CE2 4.26Å; K171-Y241 HydrophobicContact CG-CE1 4.24Å
172P81.4Confident70.7Confident16 Ų1691.2 Ų91.210%0.10449%0.489CS..  trans-46135.9174.7-35.139.2000114G174 Y234 E237 M238 Y241P172-G174 PolarHBondContact O-N 3.34Å; P172-G174 VanDerWaalsContact O-N 3.15Å; P172-Y234 HydrophobicContact CB-CD2 3.98Å; P172-Y234 HydrophobicContact CB-CE2 4.07Å; P172-E237 WeakPolarHBondContact CA-OE2 3.43Å; P172-E237 HydrophobicContact CB-CB 3.63Å; P172-E237 WeakPolarHBondContact CB-OE2 3.37Å; P172-E237 VanDerWaalsContact CG-C 3.49Å; P172-E237 HydrophobicContact CG-CB 3.7Å; P172-E237 VanDerWaalsContact CG-O 3.26Å; P172-E237 WeakPolarHBondContact CG-O 3.24Å; P172-M238 HydrophobicContact CB-CE 3.9Å; P172-M238 HydrophobicContact CG-CE 3.9Å; P172-Y241 VanDerWaalsContact CD-CG 3.45Å; P172-Y241 HydrophobicContact CG-CD2 4.47Å; P172-Y241 HydrophobicContact CG-CG 4.03Å
173R81.6Confident72.9Confident111 Ų11186.7 Ų86.742%0.41946%0.46SS..PPolyproline II helixtrans-64.9117.2178-174.3-16781.11351.2108.6K171 R175 D230 R233 Y234 E237K171-R173 PolarHBondContact O-N 3.36Å; R173-R175 PolarHBondContact O-N 3.39Å; R173-D230 IonicContact CZ-OD1 3.31Å; R173-D230 IonicContact NH2-OD1 2.97Å; R173-D230 PolarHBondContact NH2-OD1 3.18Å; R173-D230 IonicContact NH2-OD2 2.69Å; R173-R233 PolarHBondContact O-NH1 2.9Å; R173-R233 PolarHBondContact O-NH2 3.47Å; R173-Y234 WeakPolarHBondContact O-CD2 3.39Å; R173-E237 PolarHBondContact N-OE2 3.38Å
174G84.4Confident75.2Confident47 Ų4782.7 Ų82.749%0.48544%0.439SS..PPolyproline II helixtrans-47.1135.9-177.500000113.9P172 M176P172-G174 PolarHBondContact O-N 3.34Å; P172-G174 VanDerWaalsContact O-N 3.15Å; G174-M176 PolarHBondContact O-N 3.5Å
175R89.5Confident77.4Confident122 Ų12280.1 Ų80.146%0.4642%0.419SS..PPolyproline II helixtrans-49.2130.117958.9-175.1-73.8-174.4-6.6113R173 D230 Y234 E235R173-R175 PolarHBondContact O-N 3.39Å; R175-D230 VanDerWaalsContact CA-OD2 3.31Å; R175-D230 WeakPolarHBondContact CA-OD2 3.2Å; R175-Y234 HydrophobicContact CB-CD1 3.79Å; R175-Y234 HydrophobicContact CB-CG 3.88Å; R175-Y234 HydrophobicContact CG-CD1 3.96Å; R175-Y234 HydrophobicContact CG-CE1 4.26Å; R175-Y234 HydrophobicContact CG-CG 4.48Å; R175-E235 IonicContact NH1-OE1 3.88Å
176M89.3Confident79.4Confident31 Ų3169.6 Ų69.615%0.15338%0.38CS..PPolyproline II helixtrans-96.4133.1-177.5-159.115583.500110.2G174 A180 Y181 D230G174-M176 PolarHBondContact O-N 3.5Å; M176-A180 HydrophobicContact CG-CB 3.46Å; M176-A180 VanDerWaalsContact CG-CB 3.46Å; M176-A180 HydrophobicContact SD-CB 4.41Å; M176-Y181 HydrophobicContact CB-CD2 4.24Å; M176-Y181 HydrophobicContact CB-CE2 3.82Å; M176-Y181 HydrophobicContact CE-CD1 3.52Å; M176-Y181 HydrophobicContact CE-CD2 3.83Å; M176-Y181 HydrophobicContact CE-CE1 3.39Å; M176-Y181 HydrophobicContact CE-CE2 3.7Å; M176-Y181 HydrophobicContact CE-CG 3.72Å; M176-Y181 VanDerWaalsContact CE-CZ 3.47Å; M176-Y181 HydrophobicContact CG-CD2 4.22Å; M176-Y181 HydrophobicContact CG-CE2 4.21Å; M176-D230 PolarHBondContact N-OD2 3.17Å
177T93.5Very high81.2Confident84 Ų8468.6 Ų68.652%0.51536%0.361SS..PPolyproline II helixtrans-82.8164.2-176.561.90000112Y179 A180 Y181T177-Y179 VanDerWaalsContact C-N 3.28Å; T177-Y179 PolarHBondContact O-N 3.32Å; T177-A180 WeakPolarHBondContact O-CA 3.42Å; T177-A180 WeakPolarHBondContact O-CB 3.14Å; T177-A180 PolarHBondContact O-N 3.35Å; T177-A180 WeakPolarHBondContact OG1-CB 3.12Å; T177-A180 PolarHBondContact OG1-N 3.34Å; T177-Y181 PolarHBondContact O-N 3.03Å
178A90.6Very high83.1Confident8 Ų864.9 Ų64.97%0.06635%0.346CS..Hα-helixtrans-55.1-45.3177.200000111.7A180 Y181 F182 W212 F223 A227A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 2.96Å; A178-Y181 PolarHBondContact O-N 2.94Å; A178-F182 WeakPolarHBondContact O-CB 3.26Å; A178-F182 PolarHBondContact O-N 2.95Å; A178-W212 HydrophobicContact CB-CH2 3.9Å; A178-W212 HydrophobicContact CB-CZ2 4.31Å; A178-F223 WeakPolarHBondContact CA-O 3.25Å; A178-F223 HydrophobicContact CB-CB 4.02Å; A178-F223 WeakPolarHBondContact CB-O 3.14Å; A178-A227 HydrophobicContact CB-CB 4.04Å; A178-A227 VanDerWaalsContact N-CB 3.29Å
179Y89.6Confident84.7Confident75 Ų7565 Ų6529%0.29433%0.334SS..Hα-helixtrans-62.5-35.7173.9-177.5-113.4000113.1T177 F182 V183 W212T177-Y179 VanDerWaalsContact C-N 3.28Å; T177-Y179 PolarHBondContact O-N 3.32Å; Y179-F182 AromaticContact CD2-CD1 3.83Å; Y179-F182 HydrophobicContact CD2-CD1 3.83Å; Y179-F182 HydrophobicContact CD2-CE1 4.47Å; Y179-F182 AromaticContact CE2-CD1 3.88Å; Y179-F182 HydrophobicContact CE2-CD1 3.88Å; Y179-F182 HydrophobicContact CE2-CE1 4.11Å; Y179-F182 PolarHBondContact O-N 3.42Å; Y179-V183 HydrophobicContact CD1-CG2 4.09Å; Y179-V183 HydrophobicContact CD2-CG2 4.15Å; Y179-V183 HydrophobicContact CE1-CG2 3.63Å; Y179-V183 HydrophobicContact CE2-CG2 3.7Å; Y179-V183 HydrophobicContact CG-CG2 4.33Å; Y179-V183 VanDerWaalsContact CZ-CG2 3.41Å; Y179-V183 WeakPolarHBondContact O-CB 3.33Å; Y179-V183 VanDerWaalsContact O-CG2 3.3Å; Y179-V183 WeakPolarHBondContact O-CG2 3.36Å; Y179-V183 PolarHBondContact O-N 3.03Å; Y179-W212 HydrophobicContact CD2-CB 3.83Å; Y179-W212 AromaticContact CD2-CD1 3.74Å; Y179-W212 AromaticContact CD2-CD2 3.67Å; Y179-W212 HydrophobicContact CD2-CD2 3.67Å; Y179-W212 HydrophobicContact CD2-CE3 4.25Å; Y179-W212 AromaticContact CD2-CG 3.45Å; Y179-W212 HydrophobicContact CD2-CG 3.45Å; Y179-W212 VanDerWaalsContact CD2-CG 3.45Å; Y179-W212 HydrophobicContact CE2-CB 3.66Å; Y179-W212 HydrophobicContact CE2-CD2 4.44Å; Y179-W212 AromaticContact CE2-CG 3.81Å; Y179-W212 HydrophobicContact CE2-CG 3.81Å
180A91.1Very high85.9Confident34 Ų3460.9 Ų60.928%0.28131%0.311SS..Hα-helixtrans-69.8-38.5177.800000112.3M176 T177 A178 Q184M176-A180 HydrophobicContact CG-CB 3.46Å; M176-A180 VanDerWaalsContact CG-CB 3.46Å; M176-A180 HydrophobicContact SD-CB 4.41Å; T177-A180 WeakPolarHBondContact O-CA 3.42Å; T177-A180 WeakPolarHBondContact O-CB 3.14Å; T177-A180 PolarHBondContact O-N 3.35Å; T177-A180 WeakPolarHBondContact OG1-CB 3.12Å; T177-A180 PolarHBondContact OG1-N 3.34Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 2.96Å; A180-Q184 WeakPolarHBondContact O-CB 3.44Å; A180-Q184 PolarHBondContact O-N 3.46Å
181Y91Very high86.8Confident46 Ų4663.9 Ų63.918%0.1831%0.308CS..Hα-helixtrans-60.8-45168.2-87.9-76.4000111.9M176 T177 A178 Q184 T185 M226 D230M176-Y181 HydrophobicContact CB-CD2 4.24Å; M176-Y181 HydrophobicContact CB-CE2 3.82Å; M176-Y181 HydrophobicContact CE-CD1 3.52Å; M176-Y181 HydrophobicContact CE-CD2 3.83Å; M176-Y181 HydrophobicContact CE-CE1 3.39Å; M176-Y181 HydrophobicContact CE-CE2 3.7Å; M176-Y181 HydrophobicContact CE-CG 3.72Å; M176-Y181 VanDerWaalsContact CE-CZ 3.47Å; M176-Y181 HydrophobicContact CG-CD2 4.22Å; M176-Y181 HydrophobicContact CG-CE2 4.21Å; T177-Y181 PolarHBondContact O-N 3.03Å; A178-Y181 PolarHBondContact O-N 2.94Å; Y181-Q184 WeakPolarHBondContact O-CB 3.3Å; Y181-Q184 PolarHBondContact O-N 3.07Å; Y181-T185 PolarHBondContact O-N 3.33Å; Y181-T185 PolarHBondContact O-OG1 3.39Å; Y181-M226 HydrophobicContact CD1-CB 4.3Å; Y181-M226 HydrophobicContact CD1-SD 4.23Å; Y181-M226 HydrophobicContact CD2-CB 4.18Å; Y181-M226 HydrophobicContact CE1-CB 4.5Å; Y181-M226 HydrophobicContact CE2-CB 4.39Å; Y181-M226 HydrophobicContact CG-CB 4.15Å; Y181-D230 HydrophobicContact CE2-CB 3.71Å; Y181-D230 VanDerWaalsContact OH-CB 3.32Å; Y181-D230 WeakPolarHBondContact OH-CB 3.39Å; Y181-D230 PolarHBondContact OH-OD1 3.45Å
182F91.7Very high87.5Confident1 Ų167.4 Ų67.40%0.00432%0.323CS..Hα-helixtrans-59.8-50.4176.7164.7-97.5000112.5A178 Y179 Q184 T185 C186 C208 R211 W212 M215 F223A178-F182 WeakPolarHBondContact O-CB 3.26Å; A178-F182 PolarHBondContact O-N 2.95Å; Y179-F182 AromaticContact CD2-CD1 3.83Å; Y179-F182 HydrophobicContact CD2-CD1 3.83Å; Y179-F182 HydrophobicContact CD2-CE1 4.47Å; Y179-F182 AromaticContact CE2-CD1 3.88Å; Y179-F182 HydrophobicContact CE2-CD1 3.88Å; Y179-F182 HydrophobicContact CE2-CE1 4.11Å; Y179-F182 PolarHBondContact O-N 3.42Å; F182-Q184 PolarHBondContact O-N 3.46Å; F182-T185 WeakPolarHBondContact CA-OG1 3.21Å; F182-T185 PolarHBondContact O-N 2.98Å; F182-T185 PolarHBondContact O-OG1 2.86Å; F182-C186 WeakPolarHBondContact CE2-SG 3.27Å; F182-C186 WeakPolarHBondContact CZ-SG 3.35Å; F182-C186 PolarHBondContact O-N 3.38Å; F182-C208 HydrophobicContact CE1-CB 4.22Å; F182-C208 VanDerWaalsContact CE1-O 3.3Å; F182-C208 WeakPolarHBondContact CE1-O 3.31Å; F182-R211 HydrophobicContact CE2-CG 4.22Å; F182-R211 HydrophobicContact CZ-CB 3.96Å; F182-R211 HydrophobicContact CZ-CG 3.83Å; F182-W212 HydrophobicContact CB-CE3 3.67Å; F182-W212 HydrophobicContact CB-CZ3 3.61Å; F182-W212 HydrophobicContact CD1-CB 4.04Å; F182-W212 HydrophobicContact CD1-CD2 4.23Å; F182-W212 AromaticContact CD1-CE3 3.63Å; F182-W212 HydrophobicContact CD1-CE3 3.63Å; F182-W212 HydrophobicContact CD1-CG 4.43Å; F182-W212 HydrophobicContact CD1-CZ3 4.45Å; F182-W212 AromaticContact CD2-CE3 3.87Å; F182-W212 HydrophobicContact CD2-CE3 3.87Å; F182-W212 HydrophobicContact CD2-CZ3 4.28Å; F182-W212 HydrophobicContact CE1-CB 3.69Å; F182-W212 HydrophobicContact CE1-CE3 4.26Å; F182-W212 HydrophobicContact CE2-CE3 4.45Å; F182-W212 HydrophobicContact CG-CD2 4.42Å; F182-W212 AromaticContact CG-CE3 3.41Å; F182-W212 HydrophobicContact CG-CE3 3.41Å; F182-W212 VanDerWaalsContact CG-CE3 3.41Å; F182-W212 AromaticContact CG-CZ3 3.86Å; F182-W212 HydrophobicContact CG-CZ3 3.86Å; F182-W212 HydrophobicContact CZ-CB 4.22Å; F182-M215 HydrophobicContact CD2-CE 3.62Å; F182-M215 HydrophobicContact CD2-SD 4.26Å; F182-M215 HydrophobicContact CE2-CE 3.37Å; F182-M215 HydrophobicContact CE2-SD 4.4Å; F182-M215 HydrophobicContact CZ-CE 4.45Å; F182-F223 HydrophobicContact CB-CD1 3.87Å; F182-F223 HydrophobicContact CB-CD2 4.37Å; F182-F223 HydrophobicContact CB-CE1 3.93Å; F182-F223 HydrophobicContact CB-CE2 4.41Å; F182-F223 HydrophobicContact CB-CG 4.1Å; F182-F223 HydrophobicContact CB-CZ 4.2Å; F182-F223 HydrophobicContact CD2-CE1 4.47Å; F182-F223 AromaticContact CD2-CE2 3.96Å; F182-F223 HydrophobicContact CD2-CE2 3.96Å; F182-F223 AromaticContact CD2-CZ 3.92Å; F182-F223 HydrophobicContact CD2-CZ 3.92Å
183V89.4Confident87.5Confident33 Ų3374 Ų7420%0.235%0.351CS..Hα-helixtrans-60.3-33.9177171.80000111.8Y179 R187 F204 C208Y179-V183 HydrophobicContact CD1-CG2 4.09Å; Y179-V183 HydrophobicContact CD2-CG2 4.15Å; Y179-V183 HydrophobicContact CE1-CG2 3.63Å; Y179-V183 HydrophobicContact CE2-CG2 3.7Å; Y179-V183 HydrophobicContact CG-CG2 4.33Å; Y179-V183 VanDerWaalsContact CZ-CG2 3.41Å; Y179-V183 WeakPolarHBondContact O-CB 3.33Å; Y179-V183 VanDerWaalsContact O-CG2 3.3Å; Y179-V183 WeakPolarHBondContact O-CG2 3.36Å; Y179-V183 PolarHBondContact O-N 3.03Å; V183-R187 WeakPolarHBondContact O-CB 3.44Å; V183-R187 PolarHBondContact O-N 3.2Å; V183-F204 HydrophobicContact CG1-CE1 4.1Å; V183-C208 HydrophobicContact CG2-CB 4.13Å
184Q87.9Confident87.2Confident83 Ų8372.5 Ų72.539%0.38835%0.348SS..Hα-helixtrans-64.2-50.5171.6178.3172.6-1300111.2A180 Y181 F182 C186 R187 E188A180-Q184 WeakPolarHBondContact O-CB 3.44Å; A180-Q184 PolarHBondContact O-N 3.46Å; Y181-Q184 WeakPolarHBondContact O-CB 3.3Å; Y181-Q184 PolarHBondContact O-N 3.07Å; F182-Q184 PolarHBondContact O-N 3.46Å; Q184-C186 VanDerWaalsContact C-N 3.34Å; Q184-C186 PolarHBondContact O-N 2.98Å; Q184-R187 WeakPolarHBondContact O-CB 3.36Å; Q184-R187 PolarHBondContact O-N 3.02Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.5Å; Q184-E188 PolarHBondContact NE2-OE1 3.32Å; Q184-E188 PolarHBondContact O-N 2.99Å
185T89.1Confident87Confident42 Ų4274.6 Ų74.626%0.25835%0.353SS..Hα-helixtrans-60.5-40.3177.756.20000112.8Y181 F182 R187 E188 E189 F223Y181-T185 PolarHBondContact O-N 3.33Å; Y181-T185 PolarHBondContact O-OG1 3.39Å; F182-T185 WeakPolarHBondContact CA-OG1 3.21Å; F182-T185 PolarHBondContact O-N 2.98Å; F182-T185 PolarHBondContact O-OG1 2.86Å; T185-R187 VanDerWaalsContact C-N 3.28Å; T185-R187 PolarHBondContact O-N 3.29Å; T185-E188 PolarHBondContact O-N 3.42Å; T185-E189 WeakPolarHBondContact O-CB 3.45Å; T185-E189 WeakPolarHBondContact O-CG 3.34Å; T185-E189 PolarHBondContact O-N 3.27Å; T185-F223 HydrophobicContact CG2-CE1 4.02Å; T185-F223 WeakPolarHBondContact OG1-CE1 3.12Å
186C86.6Confident86.3Confident7 Ų776.2 Ų76.25%0.04737%0.371CS..Hα-helixtrans-64.5-31.1173.9-700000113F182 Q184 H190 F204 R211F182-C186 WeakPolarHBondContact CE2-SG 3.27Å; F182-C186 WeakPolarHBondContact CZ-SG 3.35Å; F182-C186 PolarHBondContact O-N 3.38Å; Q184-C186 VanDerWaalsContact C-N 3.34Å; Q184-C186 PolarHBondContact O-N 2.98Å; C186-H190 VanDerWaalsContact O-CB 3.29Å; C186-H190 WeakPolarHBondContact O-CB 3.48Å; C186-H190 PolarHBondContact O-N 3.13Å; C186-F204 HydrophobicContact CB-CE2 4.4Å; C186-F204 HydrophobicContact CB-CZ 4.08Å; C186-R211 PolarHBondContact SG-NH1 3.29Å; C186-R211 VanDerWaalsContact SG-NH1 3.44Å
187R83.8Confident85.7Confident124 Ų12480.1 Ų80.147%0.46839%0.389SS..Hα-helixtrans-72.9-39.3176.6-177.6-177.8-70.7-106.3-0.7111V183 Q184 T185 H190 K191 F204V183-R187 WeakPolarHBondContact O-CB 3.44Å; V183-R187 PolarHBondContact O-N 3.2Å; Q184-R187 WeakPolarHBondContact O-CB 3.36Å; Q184-R187 PolarHBondContact O-N 3.02Å; T185-R187 VanDerWaalsContact C-N 3.28Å; T185-R187 PolarHBondContact O-N 3.29Å; R187-H190 PolarHBondContact O-N 3.34Å; R187-K191 WeakPolarHBondContact O-CB 3.24Å; R187-K191 PolarHBondContact O-N 3.34Å; R187-F204 HydrophobicContact CB-CE1 4.22Å; R187-F204 HydrophobicContact CB-CZ 3.72Å; R187-F204 HydrophobicContact CG-CZ 4.49Å
188E88.3Confident84.7Confident106 Ų10682.2 Ų82.250%0.49540%0.401SS..Hα-helixtrans-66.9-44.2175.4-70.2166.2-169.400111.2Q184 T185 H190 K191 K192Q184-E188 WeakPolarHBondContact CG-OE1 3.5Å; Q184-E188 PolarHBondContact NE2-OE1 3.32Å; Q184-E188 PolarHBondContact O-N 2.99Å; T185-E188 PolarHBondContact O-N 3.42Å; E188-H190 PolarHBondContact O-N 2.95Å; E188-K191 PolarHBondContact O-N 2.92Å; E188-K192 WeakPolarHBondContact O-CB 3.48Å; E188-K192 PolarHBondContact O-N 3.15Å
189E85.1Confident83.7Confident74 Ų7484.6 Ų84.635%0.34642%0.415SS..Hα-helixtrans-57.9-46.9171.2-76.3-177.7173.700112.1T185 K192 K193 R211T185-E189 WeakPolarHBondContact O-CB 3.45Å; T185-E189 WeakPolarHBondContact O-CG 3.34Å; T185-E189 PolarHBondContact O-N 3.27Å; E189-K192 PolarHBondContact O-N 3.26Å; E189-K193 WeakPolarHBondContact O-CB 3.5Å; E189-K193 WeakPolarHBondContact O-CG 3.38Å; E189-K193 PolarHBondContact O-N 2.95Å; E189-R211 IonicContact OE1-NH2 2.93Å; E189-R211 PolarHBondContact OE1-NH2 3.44Å; E189-R211 IonicContact OE2-CZ 3.89Å; E189-R211 VanDerWaalsContact OE2-CZ 3.31Å; E189-R211 IonicContact OE2-NH1 3.22Å; E189-R211 PolarHBondContact OE2-NH1 3.26Å; E189-R211 IonicContact OE2-NH2 2.91Å; E189-R211 PolarHBondContact OE2-NH2 3.08Å
190H81.6Confident83.4Confident36 Ų3685.9 Ų85.917%0.16743%0.426CS..Hα-helixtrans-65.5-41.9179.9-165.5-51.6000111.8C186 R187 E188 K192 K193 H194 F204C186-H190 VanDerWaalsContact O-CB 3.29Å; C186-H190 WeakPolarHBondContact O-CB 3.48Å; C186-H190 PolarHBondContact O-N 3.13Å; R187-H190 PolarHBondContact O-N 3.34Å; E188-H190 PolarHBondContact O-N 2.95Å; H190-K192 VanDerWaalsContact C-N 3.27Å; H190-K192 PolarHBondContact O-N 2.88Å; H190-K193 PolarHBondContact O-N 3.48Å; H190-H194 AromaticContact CE1-CD2 3.93Å; H190-H194 AromaticContact CE1-CG 3.88Å; H190-H194 AromaticContact ND1-CD2 3.9Å; H190-H194 WeakPolarHBondContact O-CA 3.48Å; H190-H194 PolarHBondContact O-N 2.79Å; H190-F204 HydrophobicContact CB-CE2 4.11Å; H190-F204 AromaticContact CD2-CD2 3.87Å
191K84.7Confident82.6Confident149 Ų14990.7 Ų90.765%0.64844%0.441SS*.Hα-helixtrans-65.3-30.5176.5-171.3179.3178.8-173.20112.3R187 E188 P195R187-K191 WeakPolarHBondContact O-CB 3.24Å; R187-K191 PolarHBondContact O-N 3.34Å; E188-K191 PolarHBondContact O-N 2.92Å; K191-P195 WeakPolarHBondContact O-CA 3.38Å
192K87.5Confident82.3Confident187 Ų18791 Ų9181%0.81345%0.453SS*.Hα-helixtrans-76.1-37.6175-173.4176.6-179.5179.90112.9E188 E189 H190E188-K192 WeakPolarHBondContact O-CB 3.48Å; E188-K192 PolarHBondContact O-N 3.15Å; E189-K192 PolarHBondContact O-N 3.26Å; H190-K192 VanDerWaalsContact C-N 3.27Å; H190-K192 PolarHBondContact O-N 2.88Å
193K80.9Confident81.9Confident155 Ų15594.8 Ų94.867%0.67447%0.47SS*.Hα-helixtrans-82.9-30.6-178.4-71.6179.8179.2-175.80113.4E189 H190E189-K193 WeakPolarHBondContact O-CB 3.5Å; E189-K193 WeakPolarHBondContact O-CG 3.38Å; E189-K193 PolarHBondContact O-N 2.95Å; H190-K193 PolarHBondContact O-N 3.48Å
194H76.7Confident81.7Confident78 Ų7893.8 Ų93.836%0.36146%0.463SS..  trans-131.774.5-178.1-53.4-106.5000108.7H190 D196 E197H190-H194 AromaticContact CE1-CD2 3.93Å; H190-H194 AromaticContact CE1-CG 3.88Å; H190-H194 AromaticContact ND1-CD2 3.9Å; H190-H194 WeakPolarHBondContact O-CA 3.48Å; H190-H194 PolarHBondContact O-N 2.79Å; H194-D196 VanDerWaalsContact C-N 3.31Å; H194-E197 HydrophobicContact CB-CB 3.76Å; H194-E197 IonicContact CE1-OE2 3.63Å; H194-E197 IonicContact CG-OE2 3.54Å; H194-E197 IonicContact ND1-OE2 2.74Å; H194-E197 PolarHBondContact ND1-OE2 3.16Å
195P78.7Confident81.6Confident91 Ų9192.2 Ų92.259%0.59146%0.462SS*.SBendtrans-66.5-33.4-178.926.2-33.7000112.7K191K191-P195 WeakPolarHBondContact O-CA 3.38Å
196D74.4Confident81.6Confident157 Ų15796.9 Ų96.984%0.8448%0.475SS*.SBendtrans-98.6-7.1-174.3-53.1-46000113.7H194H194-D196 VanDerWaalsContact C-N 3.31Å
197E77.3Confident81.6Confident112 Ų112102.3 Ų102.352%0.52350%0.497SS..SBendtrans-91.4122.7-178.1-158.5-177148.900111.4H194 V199H194-E197 HydrophobicContact CB-CB 3.76Å; H194-E197 IonicContact CE1-OE2 3.63Å; H194-E197 IonicContact CG-OE2 3.54Å; H194-E197 IonicContact ND1-OE2 2.74Å; H194-E197 PolarHBondContact ND1-OE2 3.16Å; E197-V199 PolarHBondContact O-N 3.2Å; E197-V199 VanDerWaalsContact O-N 3.11Å
198T71.9Confident81.8Confident128 Ų12896.6 Ų96.679%0.78548%0.476SS*.  trans-75.2103.6-178.250.40000111.6I200T198-I200 PolarHBondContact O-N 2.83Å
199V71.3Confident81.9Confident59 Ų5993.8 Ų93.836%0.35847%0.472SS..  trans-61.6106.6-174.4-171.20000112.8E197 F201 F204E197-V199 PolarHBondContact O-N 3.2Å; E197-V199 VanDerWaalsContact O-N 3.11Å; V199-F201 PolarHBondContact O-N 3.42Å; V199-F201 VanDerWaalsContact O-N 3.09Å; V199-F204 HydrophobicContact CG1-CB 3.55Å; V199-F204 HydrophobicContact CG1-CD2 3.73Å; V199-F204 HydrophobicContact CG1-CG 3.69Å
200I82.8Confident82.1Confident101 Ų10196 Ų9652%0.51848%0.482SS..  trans-66.8108172.5-58.9177.1000109.3T198 A202 E203 F204T198-I200 PolarHBondContact O-N 2.83Å; I200-A202 VanDerWaalsContact C-N 3.27Å; I200-A202 HydrophobicContact CG2-CB 4.48Å; I200-A202 PolarHBondContact O-N 3.47Å; I200-A202 VanDerWaalsContact O-N 3.16Å; I200-E203 HydrophobicContact CB-CB 4.4Å; I200-E203 HydrophobicContact CG2-CB 4.42Å; I200-E203 HydrophobicContact CG2-CG 4.2Å; I200-E203 PolarHBondContact O-N 3.29Å; I200-E203 VanDerWaalsContact O-N 3.11Å; I200-F204 WeakPolarHBondContact O-CB 3.38Å; I200-F204 PolarHBondContact O-N 3.32Å
201F73.1Confident82.4Confident135 Ų13599.5 Ų99.559%0.59249%0.494SS*.Hα-helixtrans-55.5-38.1-173.4177.9-104.3000113.9V199 S205V199-F201 PolarHBondContact O-N 3.42Å; V199-F201 VanDerWaalsContact O-N 3.09Å; F201-S205 VanDerWaalsContact O-CB 3.3Å; F201-S205 WeakPolarHBondContact O-CB 3.47Å; F201-S205 PolarHBondContact O-N 3.4Å
202A84.7Confident82.6Confident52 Ų5294.7 Ų94.743%0.4347%0.472SS..Hα-helixtrans-65-40.2-18000000112.6I200 R206I200-A202 VanDerWaalsContact C-N 3.27Å; I200-A202 HydrophobicContact CG2-CB 4.48Å; I200-A202 PolarHBondContact O-N 3.47Å; I200-A202 VanDerWaalsContact O-N 3.16Å; A202-R206 WeakPolarHBondContact O-CG 3.34Å; A202-R206 PolarHBondContact O-N 3.23Å
203E84.2Confident82.8Confident81 Ų8194.2 Ų94.238%0.37947%0.469SS..Hα-helixtrans-75.1-44.3176.9-71.8-177.5-169.100111.9I200 S205 R206 K207I200-E203 HydrophobicContact CB-CB 4.4Å; I200-E203 HydrophobicContact CG2-CB 4.42Å; I200-E203 HydrophobicContact CG2-CG 4.2Å; I200-E203 PolarHBondContact O-N 3.29Å; I200-E203 VanDerWaalsContact O-N 3.11Å; E203-S205 VanDerWaalsContact C-N 3.25Å; E203-S205 PolarHBondContact O-N 2.86Å; E203-R206 VanDerWaalsContact CG-NH2 3.27Å; E203-R206 PolarHBondContact O-N 2.96Å; E203-K207 WeakPolarHBondContact O-CG 3.21Å; E203-K207 PolarHBondContact O-N 2.93Å
204F84.9Confident83.2Confident12 Ų1292.1 Ų92.15%0.05347%0.47CS..Hα-helixtrans-57.8-40176.2178.8-96.2000111.7V183 C186 R187 H190 V199 I200 C208V183-F204 HydrophobicContact CG1-CE1 4.1Å; C186-F204 HydrophobicContact CB-CE2 4.4Å; C186-F204 HydrophobicContact CB-CZ 4.08Å; R187-F204 HydrophobicContact CB-CE1 4.22Å; R187-F204 HydrophobicContact CB-CZ 3.72Å; R187-F204 HydrophobicContact CG-CZ 4.49Å; H190-F204 HydrophobicContact CB-CE2 4.11Å; H190-F204 AromaticContact CD2-CD2 3.87Å; V199-F204 HydrophobicContact CG1-CB 3.55Å; V199-F204 HydrophobicContact CG1-CD2 3.73Å; V199-F204 HydrophobicContact CG1-CG 3.69Å; I200-F204 WeakPolarHBondContact O-CB 3.38Å; I200-F204 PolarHBondContact O-N 3.32Å; F204-C208 VanDerWaalsContact CE1-SG 3.51Å; F204-C208 WeakPolarHBondContact CZ-SG 3.44Å; F204-C208 WeakPolarHBondContact O-CB 3.2Å; F204-C208 PolarHBondContact O-N 3.45Å; F204-C208 PolarHBondContact O-SG 3.09Å
205S85.4Confident83.6Confident50 Ų5089.3 Ų89.335%0.3546%0.457SS..Hα-helixtrans-67.7-32.1176-168.40000113.3F201 E203 A209F201-S205 VanDerWaalsContact O-CB 3.3Å; F201-S205 WeakPolarHBondContact O-CB 3.47Å; F201-S205 PolarHBondContact O-N 3.4Å; E203-S205 VanDerWaalsContact C-N 3.25Å; E203-S205 PolarHBondContact O-N 2.86Å; S205-A209 WeakPolarHBondContact O-CB 3.3Å; S205-A209 PolarHBondContact O-N 3.36Å; S205-A209 VanDerWaalsContact O-N 3.14Å
206R89.6Confident84.2Confident140 Ų14089.5 Ų89.553%0.52846%0.456SS..Hα-helixtrans-69.3-53173.2-73.3-174.2-70.6-97.29.9110.8A202 E203 C208 A209 E210A202-R206 WeakPolarHBondContact O-CG 3.34Å; A202-R206 PolarHBondContact O-N 3.23Å; E203-R206 VanDerWaalsContact CG-NH2 3.27Å; E203-R206 PolarHBondContact O-N 2.96Å; R206-C208 VanDerWaalsContact C-N 3.26Å; R206-C208 PolarHBondContact O-N 3.43Å; R206-A209 PolarHBondContact O-N 3.35Å; R206-E210 PolarHBondContact O-N 2.86Å
207K86.5Confident84.9Confident121 Ų12187.6 Ų87.653%0.52645%0.446SS..Hα-helixtrans-55-39.1176.9-68.5174180171.20112.1E203 R211E203-K207 WeakPolarHBondContact O-CG 3.21Å; E203-K207 PolarHBondContact O-N 2.93Å; K207-R211 WeakPolarHBondContact O-CB 3.31Å; K207-R211 PolarHBondContact O-N 3.4Å
208C88.6Confident85.4Confident4 Ų490.9 Ų90.93%0.02746%0.458CS..Hα-helixtrans-67.7-44.3173.8-71.30000113.1F182 V183 F204 R206 E210 R211 W212F182-C208 HydrophobicContact CE1-CB 4.22Å; F182-C208 VanDerWaalsContact CE1-O 3.3Å; F182-C208 WeakPolarHBondContact CE1-O 3.31Å; V183-C208 HydrophobicContact CG2-CB 4.13Å; F204-C208 VanDerWaalsContact CE1-SG 3.51Å; F204-C208 WeakPolarHBondContact CZ-SG 3.44Å; F204-C208 WeakPolarHBondContact O-CB 3.2Å; F204-C208 PolarHBondContact O-N 3.45Å; F204-C208 PolarHBondContact O-SG 3.09Å; R206-C208 VanDerWaalsContact C-N 3.26Å; R206-C208 PolarHBondContact O-N 3.43Å; C208-E210 VanDerWaalsContact C-N 3.34Å; C208-E210 PolarHBondContact O-N 2.94Å; C208-R211 PolarHBondContact O-N 2.9Å; C208-W212 WeakPolarHBondContact O-CB 3.33Å; C208-W212 PolarHBondContact O-N 3.29Å
209A89.1Confident86.1Confident48 Ų4889.8 Ų89.840%0.39745%0.445SS..Hα-helixtrans-63.7-40.7179.900000111.9S205 R206 K213S205-A209 WeakPolarHBondContact O-CB 3.3Å; S205-A209 PolarHBondContact O-N 3.36Å; S205-A209 VanDerWaalsContact O-N 3.14Å; R206-A209 PolarHBondContact O-N 3.35Å; A209-K213 WeakPolarHBondContact O-CB 3.3Å; A209-K213 PolarHBondContact O-N 3.44Å
210E90.1Very high87.1Confident121 Ų12188.6 Ų88.657%0.56543%0.434SS*.Hα-helixtrans-62.6-52.2174-72.6160.2-165.600111.4R206 C208 W212 K213 T214R206-E210 PolarHBondContact O-N 2.86Å; C208-E210 VanDerWaalsContact C-N 3.34Å; C208-E210 PolarHBondContact O-N 2.94Å; E210-W212 VanDerWaalsContact C-N 3.3Å; E210-W212 PolarHBondContact O-N 3.46Å; E210-K213 WeakPolarHBondContact O-CB 3.31Å; E210-K213 PolarHBondContact O-N 3.27Å; E210-T214 PolarHBondContact O-N 2.99Å; E210-T214 PolarHBondContact O-OG1 2.65Å
211R87.2Confident87.5Confident109 Ų10989.9 Ų89.941%0.41144%0.436SS..Hα-helixtrans-61.7-33.8178.5-175.1177.6177-166.7-3.8112.7F182 C186 E189 K207 C208 T214 M215F182-R211 HydrophobicContact CE2-CG 4.22Å; F182-R211 HydrophobicContact CZ-CB 3.96Å; F182-R211 HydrophobicContact CZ-CG 3.83Å; C186-R211 PolarHBondContact SG-NH1 3.29Å; C186-R211 VanDerWaalsContact SG-NH1 3.44Å; E189-R211 IonicContact OE1-NH2 2.93Å; E189-R211 PolarHBondContact OE1-NH2 3.44Å; E189-R211 IonicContact OE2-CZ 3.89Å; E189-R211 VanDerWaalsContact OE2-CZ 3.31Å; E189-R211 IonicContact OE2-NH1 3.22Å; E189-R211 PolarHBondContact OE2-NH1 3.26Å; E189-R211 IonicContact OE2-NH2 2.91Å; E189-R211 PolarHBondContact OE2-NH2 3.08Å; K207-R211 WeakPolarHBondContact O-CB 3.31Å; K207-R211 PolarHBondContact O-N 3.4Å; C208-R211 PolarHBondContact O-N 2.9Å; R211-T214 PolarHBondContact O-OG1 3.01Å; R211-M215 VanDerWaalsContact O-CB 3.24Å; R211-M215 WeakPolarHBondContact O-CB 3.15Å; R211-M215 PolarHBondContact O-N 2.92Å
212W90.5Very high88.3Confident48 Ų4891.6 Ų91.618%0.18244%0.439CS..Hα-helixtrans-69.9-34.6172.8-178.6-104.2000112.9A178 Y179 F182 C208 E210 M215 K220 F223A178-W212 HydrophobicContact CB-CH2 3.9Å; A178-W212 HydrophobicContact CB-CZ2 4.31Å; Y179-W212 HydrophobicContact CD2-CB 3.83Å; Y179-W212 AromaticContact CD2-CD1 3.74Å; Y179-W212 AromaticContact CD2-CD2 3.67Å; Y179-W212 HydrophobicContact CD2-CD2 3.67Å; Y179-W212 HydrophobicContact CD2-CE3 4.25Å; Y179-W212 AromaticContact CD2-CG 3.45Å; Y179-W212 HydrophobicContact CD2-CG 3.45Å; Y179-W212 VanDerWaalsContact CD2-CG 3.45Å; Y179-W212 HydrophobicContact CE2-CB 3.66Å; Y179-W212 HydrophobicContact CE2-CD2 4.44Å; Y179-W212 AromaticContact CE2-CG 3.81Å; Y179-W212 HydrophobicContact CE2-CG 3.81Å; F182-W212 HydrophobicContact CB-CE3 3.67Å; F182-W212 HydrophobicContact CB-CZ3 3.61Å; F182-W212 HydrophobicContact CD1-CB 4.04Å; F182-W212 HydrophobicContact CD1-CD2 4.23Å; F182-W212 AromaticContact CD1-CE3 3.63Å; F182-W212 HydrophobicContact CD1-CE3 3.63Å; F182-W212 HydrophobicContact CD1-CG 4.43Å; F182-W212 HydrophobicContact CD1-CZ3 4.45Å; F182-W212 AromaticContact CD2-CE3 3.87Å; F182-W212 HydrophobicContact CD2-CE3 3.87Å; F182-W212 HydrophobicContact CD2-CZ3 4.28Å; F182-W212 HydrophobicContact CE1-CB 3.69Å; F182-W212 HydrophobicContact CE1-CE3 4.26Å; F182-W212 HydrophobicContact CE2-CE3 4.45Å; F182-W212 HydrophobicContact CG-CD2 4.42Å; F182-W212 AromaticContact CG-CE3 3.41Å; F182-W212 HydrophobicContact CG-CE3 3.41Å; F182-W212 VanDerWaalsContact CG-CE3 3.41Å; F182-W212 AromaticContact CG-CZ3 3.86Å; F182-W212 HydrophobicContact CG-CZ3 3.86Å; F182-W212 HydrophobicContact CZ-CB 4.22Å; C208-W212 WeakPolarHBondContact O-CB 3.33Å; C208-W212 PolarHBondContact O-N 3.29Å; E210-W212 VanDerWaalsContact C-N 3.3Å; E210-W212 PolarHBondContact O-N 3.46Å; W212-M215 HydrophobicContact CE3-SD 4.03Å; W212-M215 HydrophobicContact CZ3-SD 4.04Å; W212-K220 HydrophobicContact CH2-CB 4.14Å; W212-K220 HydrophobicContact CH2-CG 4.1Å; W212-K220 HydrophobicContact CZ2-CD 4.25Å; W212-K220 HydrophobicContact CZ2-CG 4.33Å; W212-K220 HydrophobicContact CZ3-CG 4.22Å; W212-K220 WeakPolarHBondContact O-CE 3.39Å; W212-F223 HydrophobicContact CH2-CB 4.01Å; W212-F223 HydrophobicContact CZ3-CB 4.01Å; W212-F223 AromaticContact CZ3-CD2 3.92Å; W212-F223 HydrophobicContact CZ3-CD2 3.92Å; W212-F223 HydrophobicContact CZ3-CG 4.09Å
213K90.4Very high88.7Confident177 Ų17789.9 Ų89.977%0.7742%0.422SS*.Hα-helixtrans-68.3-42.5176.5-172.5-175.9176.6-170.40111.4A209 E210A209-K213 WeakPolarHBondContact O-CB 3.3Å; A209-K213 PolarHBondContact O-N 3.44Å; E210-K213 WeakPolarHBondContact O-CB 3.31Å; E210-K213 PolarHBondContact O-N 3.27Å
214T89.6Confident89.1Confident111 Ų11190.9 Ų90.968%0.68143%0.426SS*.Hα-helixtrans-83.2-15.6-178.957.10000114.4E210 R211E210-T214 PolarHBondContact O-N 2.99Å; E210-T214 PolarHBondContact O-OG1 2.65Å; R211-T214 PolarHBondContact O-OG1 3.01Å
215M85.9Confident89.4Confident19 Ų1994.9 Ų94.99%0.09445%0.445CS..SBendtrans-58.1137176.1179171.3-77.400112.2F182 R211 W212 E219 K220 F223F182-M215 HydrophobicContact CD2-CE 3.62Å; F182-M215 HydrophobicContact CD2-SD 4.26Å; F182-M215 HydrophobicContact CE2-CE 3.37Å; F182-M215 HydrophobicContact CE2-SD 4.4Å; F182-M215 HydrophobicContact CZ-CE 4.45Å; R211-M215 VanDerWaalsContact O-CB 3.24Å; R211-M215 WeakPolarHBondContact O-CB 3.15Å; R211-M215 PolarHBondContact O-N 2.92Å; W212-M215 HydrophobicContact CE3-SD 4.03Å; W212-M215 HydrophobicContact CZ3-SD 4.04Å; M215-E219 HydrophobicContact CE-CB 4.46Å; M215-E219 HydrophobicContact CG-CB 3.56Å; M215-E219 HydrophobicContact CG-CG 4.49Å; M215-E219 WeakPolarHBondContact CG-OE2 3.31Å; M215-E219 HydrophobicContact SD-CB 3.86Å; M215-K220 HydrophobicContact CB-CG 4.25Å; M215-K220 HydrophobicContact CG-CG 3.81Å; M215-K220 VanDerWaalsContact O-CE 3.27Å; M215-K220 WeakPolarHBondContact O-CE 3.42Å; M215-K220 PolarHBondContact O-NZ 3.06Å; M215-K220 HydrophobicContact SD-CG 3.96Å; M215-F223 HydrophobicContact CE-CE2 3.86Å; M215-F223 HydrophobicContact SD-CD2 3.92Å; M215-F223 HydrophobicContact SD-CE2 3.79Å
216V91.1Very high89.6Confident94 Ų9494.9 Ų94.957%0.5744%0.44SS*.  trans-71.7145.1179.8-1780000110.3K218 E219 K220V216-K218 HydrophobicContact CG1-CB 4.29Å; V216-K218 PolarHBondContact O-N 3.41Å; V216-K218 VanDerWaalsContact O-N 3.11Å; V216-E219 HydrophobicContact CB-CG 4.48Å; V216-E219 PolarHBondContact N-OE2 3.06Å; V216-E219 WeakPolarHBondContact O-CA 3.29Å; V216-E219 WeakPolarHBondContact O-CB 3.32Å; V216-E219 PolarHBondContact O-N 3.45Å; V216-K220 PolarHBondContact O-N 2.98Å
217D88.4Confident89.8Confident117 Ų11788.7 Ų88.763%0.62642%0.419SS*.Hα-helixtrans-62.4-24.9-175.1-63.6-31000113.6E219 K220 K221D217-E219 VanDerWaalsContact C-N 3.31Å; D217-E219 PolarHBondContact O-N 3.5Å; D217-K220 PolarHBondContact O-N 3.13Å; D217-K220 WeakPolarHBondContact OD1-CD 3.28Å; D217-K220 IonicContact OD1-NZ 3.48Å; D217-K220 PolarHBondContact OD1-NZ 2.99Å; D217-K221 WeakPolarHBondContact O-CB 3.41Å; D217-K221 PolarHBondContact O-N 3.12Å
218K88.8Confident90Very high181 Ų18186.8 Ų86.879%0.78741%0.412SS*.Hα-helixtrans-61.9-36.1169.6-171.8178.2-179-179.60112.7V216V216-K218 HydrophobicContact CG1-CB 4.29Å; V216-K218 PolarHBondContact O-N 3.41Å; V216-K218 VanDerWaalsContact O-N 3.11Å
219E86.1Confident90.1Very high106 Ų10693.3 Ų93.350%0.49544%0.44SS..Hα-helixtrans-79.1-42176-58.8-178.1121.400110.7M215 V216 D217 K221 R222 F223M215-E219 HydrophobicContact CE-CB 4.46Å; M215-E219 HydrophobicContact CG-CB 3.56Å; M215-E219 HydrophobicContact CG-CG 4.49Å; M215-E219 WeakPolarHBondContact CG-OE2 3.31Å; M215-E219 HydrophobicContact SD-CB 3.86Å; V216-E219 HydrophobicContact CB-CG 4.48Å; V216-E219 PolarHBondContact N-OE2 3.06Å; V216-E219 WeakPolarHBondContact O-CA 3.29Å; V216-E219 WeakPolarHBondContact O-CB 3.32Å; V216-E219 PolarHBondContact O-N 3.45Å; D217-E219 VanDerWaalsContact C-N 3.31Å; D217-E219 PolarHBondContact O-N 3.5Å; E219-K221 PolarHBondContact O-N 3.47Å; E219-R222 WeakPolarHBondContact O-CB 3.4Å; E219-R222 PolarHBondContact O-N 3.28Å; E219-F223 WeakPolarHBondContact O-CD2 3.42Å
220K90.9Very high90.2Very high33 Ų3391.3 Ų91.314%0.14342%0.422CS..Hα-helixtrans-56.1-38.4171.7-62.2-172.9-172.9106.90111.5W212 M215 V216 D217 R222 F223 H224W212-K220 HydrophobicContact CH2-CB 4.14Å; W212-K220 HydrophobicContact CH2-CG 4.1Å; W212-K220 HydrophobicContact CZ2-CD 4.25Å; W212-K220 HydrophobicContact CZ2-CG 4.33Å; W212-K220 HydrophobicContact CZ3-CG 4.22Å; W212-K220 WeakPolarHBondContact O-CE 3.39Å; M215-K220 HydrophobicContact CB-CG 4.25Å; M215-K220 HydrophobicContact CG-CG 3.81Å; M215-K220 VanDerWaalsContact O-CE 3.27Å; M215-K220 WeakPolarHBondContact O-CE 3.42Å; M215-K220 PolarHBondContact O-NZ 3.06Å; M215-K220 HydrophobicContact SD-CG 3.96Å; V216-K220 PolarHBondContact O-N 2.98Å; D217-K220 PolarHBondContact O-N 3.13Å; D217-K220 WeakPolarHBondContact OD1-CD 3.28Å; D217-K220 IonicContact OD1-NZ 3.48Å; D217-K220 PolarHBondContact OD1-NZ 2.99Å; K220-R222 VanDerWaalsContact C-N 3.27Å; K220-R222 PolarHBondContact O-N 3.31Å; K220-F223 CarbonylContact O-C 3.55Å; K220-F223 WeakPolarHBondContact O-CA 3.41Å; K220-F223 WeakPolarHBondContact O-CB 3.44Å; K220-F223 PolarHBondContact O-N 3.03Å; K220-H224 PolarHBondContact O-CD2 2.96Å; K220-H224 PolarHBondContact O-N 3.1Å
221K92.2Very high90.2Very high128 Ų12888 Ų8856%0.55741%0.406SS*.Hα-helixtrans-52.7-42.7178.4-176.2176.3176.71800112.2D217 E219 F223 H224 E225D217-K221 WeakPolarHBondContact O-CB 3.41Å; D217-K221 PolarHBondContact O-N 3.12Å; E219-K221 PolarHBondContact O-N 3.47Å; K221-F223 VanDerWaalsContact C-N 3.29Å; K221-F223 PolarHBondContact O-N 3.5Å; K221-H224 PolarHBondContact O-N 3.11Å; K221-H224 VanDerWaalsContact O-N 3.13Å; K221-E225 WeakPolarHBondContact CE-OE1 3.32Å; K221-E225 WeakPolarHBondContact O-CG 3.41Å; K221-E225 PolarHBondContact O-N 3.06Å
222R90.6Very high90.4Very high172 Ų17288.5 Ų88.565%0.64941%0.413SS*.Hα-helixtrans-59-39175.3-170-169.5170.6-164.8-2112.2E219 K220 M226E219-R222 WeakPolarHBondContact O-CB 3.4Å; E219-R222 PolarHBondContact O-N 3.28Å; K220-R222 VanDerWaalsContact C-N 3.27Å; K220-R222 PolarHBondContact O-N 3.31Å; R222-M226 HydrophobicContact CG-CE 4.15Å; R222-M226 WeakPolarHBondContact O-CG 3.43Å; R222-M226 PolarHBondContact O-N 3.26Å; R222-M226 VanDerWaalsContact O-N 3.16Å
223F93.1Very high90.4Very high16 Ų1689.5 Ų89.57%0.0742%0.417CS..Hα-helixtrans-74.5-33.2175.5-65.1-73.9000113.1A178 F182 T185 W212 M215 E219 K220 K221 M226 A227A178-F223 WeakPolarHBondContact CA-O 3.25Å; A178-F223 HydrophobicContact CB-CB 4.02Å; A178-F223 WeakPolarHBondContact CB-O 3.14Å; F182-F223 HydrophobicContact CB-CD1 3.87Å; F182-F223 HydrophobicContact CB-CD2 4.37Å; F182-F223 HydrophobicContact CB-CE1 3.93Å; F182-F223 HydrophobicContact CB-CE2 4.41Å; F182-F223 HydrophobicContact CB-CG 4.1Å; F182-F223 HydrophobicContact CB-CZ 4.2Å; F182-F223 HydrophobicContact CD2-CE1 4.47Å; F182-F223 AromaticContact CD2-CE2 3.96Å; F182-F223 HydrophobicContact CD2-CE2 3.96Å; F182-F223 AromaticContact CD2-CZ 3.92Å; F182-F223 HydrophobicContact CD2-CZ 3.92Å; T185-F223 HydrophobicContact CG2-CE1 4.02Å; T185-F223 WeakPolarHBondContact OG1-CE1 3.12Å; W212-F223 HydrophobicContact CH2-CB 4.01Å; W212-F223 HydrophobicContact CZ3-CB 4.01Å; W212-F223 AromaticContact CZ3-CD2 3.92Å; W212-F223 HydrophobicContact CZ3-CD2 3.92Å; W212-F223 HydrophobicContact CZ3-CG 4.09Å; M215-F223 HydrophobicContact CE-CE2 3.86Å; M215-F223 HydrophobicContact SD-CD2 3.92Å; M215-F223 HydrophobicContact SD-CE2 3.79Å; E219-F223 WeakPolarHBondContact O-CD2 3.42Å; K220-F223 CarbonylContact O-C 3.55Å; K220-F223 WeakPolarHBondContact O-CA 3.41Å; K220-F223 WeakPolarHBondContact O-CB 3.44Å; K220-F223 PolarHBondContact O-N 3.03Å; K221-F223 VanDerWaalsContact C-N 3.29Å; K221-F223 PolarHBondContact O-N 3.5Å; F223-M226 HydrophobicContact CD1-CE 3.48Å; F223-M226 VanDerWaalsContact CD1-CE 3.48Å; F223-M226 HydrophobicContact CE1-CE 3.74Å; F223-M226 HydrophobicContact CG-CE 4.21Å; F223-M226 PolarHBondContact O-N 3.29Å; F223-A227 WeakPolarHBondContact O-CB 3.47Å; F223-A227 PolarHBondContact O-N 3.04Å
224H92Very high90.2Very high101 Ų10183.7 Ų83.747%0.46839%0.39SS..Hα-helixtrans-64.9-43.4171.3-75.4-74.6000111.9K220 K221 M226 A227 E228K220-H224 PolarHBondContact O-CD2 2.96Å; K220-H224 PolarHBondContact O-N 3.1Å; K221-H224 PolarHBondContact O-N 3.11Å; K221-H224 VanDerWaalsContact O-N 3.13Å; H224-M226 PolarHBondContact O-N 2.81Å; H224-A227 PolarHBondContact O-N 3.27Å; H224-E228 PolarHBondContact O-N 3.48Å
225E91.9Very high90Very high96 Ų9682.2 Ų82.245%0.44938%0.376SS..Hα-helixtrans-62.2-40.5174.7-72172-165.500112.4K221 K229K221-E225 WeakPolarHBondContact CE-OE1 3.32Å; K221-E225 WeakPolarHBondContact O-CG 3.41Å; K221-E225 PolarHBondContact O-N 3.06Å; E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 2.85Å; E225-K229 VanDerWaalsContact O-N 3.11Å
226M89.4Confident90.1Very high51 Ų5183.5 Ų83.525%0.25139%0.389SS..Hα-helixtrans-63-40172.6-75.3-169.4-86.900112.4Y181 R222 F223 H224 K229 D230Y181-M226 HydrophobicContact CD1-CB 4.3Å; Y181-M226 HydrophobicContact CD1-SD 4.23Å; Y181-M226 HydrophobicContact CD2-CB 4.18Å; Y181-M226 HydrophobicContact CE1-CB 4.5Å; Y181-M226 HydrophobicContact CE2-CB 4.39Å; Y181-M226 HydrophobicContact CG-CB 4.15Å; R222-M226 HydrophobicContact CG-CE 4.15Å; R222-M226 WeakPolarHBondContact O-CG 3.43Å; R222-M226 PolarHBondContact O-N 3.26Å; R222-M226 VanDerWaalsContact O-N 3.16Å; F223-M226 HydrophobicContact CD1-CE 3.48Å; F223-M226 VanDerWaalsContact CD1-CE 3.48Å; F223-M226 HydrophobicContact CE1-CE 3.74Å; F223-M226 HydrophobicContact CG-CE 4.21Å; F223-M226 PolarHBondContact O-N 3.29Å; H224-M226 PolarHBondContact O-N 2.81Å; M226-K229 PolarHBondContact O-N 2.89Å; M226-D230 PolarHBondContact O-N 3.32Å
227A93.4Very high89.8Confident9 Ų982.4 Ų82.47%0.07438%0.378CS..Hα-helixtrans-70.3-36.1178.700000113.4A178 F223 H224 D230 K231A178-A227 HydrophobicContact CB-CB 4.04Å; A178-A227 VanDerWaalsContact N-CB 3.29Å; F223-A227 WeakPolarHBondContact O-CB 3.47Å; F223-A227 PolarHBondContact O-N 3.04Å; H224-A227 PolarHBondContact O-N 3.27Å; A227-D230 PolarHBondContact O-N 3.03Å; A227-K231 VanDerWaalsContact O-CB 3.3Å; A227-K231 WeakPolarHBondContact O-CB 3.45Å; A227-K231 PolarHBondContact O-N 3.16Å
228E90.5Very high89.6Confident82 Ų8279.7 Ų79.738%0.38336%0.362SS..Hα-helixtrans-70.4-34174.6-71.5-60.1110.100111.7H224 K231 Q232H224-E228 PolarHBondContact O-N 3.48Å; E228-K231 WeakPolarHBondContact O-CB 3.46Å; E228-K231 PolarHBondContact O-N 3.46Å; E228-K231 WeakPolarHBondContact OE1-CD 3.48Å; E228-K231 IonicContact OE1-NZ 3.56Å; E228-K231 WeakPolarHBondContact OE2-CD 3.49Å; E228-K231 IonicContact OE2-NZ 2.85Å; E228-K231 PolarHBondContact OE2-NZ 3.11Å; E228-Q232 WeakPolarHBondContact O-CG 3.44Å; E228-Q232 PolarHBondContact O-N 2.7Å
229K91.1Very high89.2Confident141 Ų14178.9 Ų78.961%0.61336%0.361SS*.Hα-helixtrans-64.2-41.9169.6-73.3173.9179.9175.70112.4E225 M226 Q232 R233E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 2.85Å; E225-K229 VanDerWaalsContact O-N 3.11Å; M226-K229 PolarHBondContact O-N 2.89Å; K229-Q232 PolarHBondContact O-N 2.74Å; K229-R233 PolarHBondContact O-N 3.44Å
230D90.2Very high88.9Confident5 Ų580.4 Ų80.43%0.02737%0.373CS..Hα-helixtrans-71.4-30.7176.7-166.779.6000113.2R173 R175 M176 Y181 M226 A227 R233 Y234R173-D230 IonicContact CZ-OD1 3.31Å; R173-D230 IonicContact NH2-OD1 2.97Å; R173-D230 PolarHBondContact NH2-OD1 3.18Å; R173-D230 IonicContact NH2-OD2 2.69Å; R175-D230 VanDerWaalsContact CA-OD2 3.31Å; R175-D230 WeakPolarHBondContact CA-OD2 3.2Å; M176-D230 PolarHBondContact N-OD2 3.17Å; Y181-D230 HydrophobicContact CE2-CB 3.71Å; Y181-D230 VanDerWaalsContact OH-CB 3.32Å; Y181-D230 WeakPolarHBondContact OH-CB 3.39Å; Y181-D230 PolarHBondContact OH-OD1 3.45Å; M226-D230 PolarHBondContact O-N 3.32Å; A227-D230 PolarHBondContact O-N 3.03Å; D230-R233 VanDerWaalsContact CG-NH2 3.26Å; D230-R233 IonicContact OD1-CZ 2.69Å; D230-R233 IonicContact OD1-NE 3.67Å; D230-R233 PolarHBondContact OD1-NE 3.18Å; D230-R233 IonicContact OD1-NH2 3.96Å; D230-R233 PolarHBondContact OD1-NH2 3.13Å; D230-R233 IonicContact OD2-CZ 3.91Å; D230-R233 IonicContact OD2-NH2 2.77Å; D230-R233 PolarHBondContact OD2-NH2 3.2Å; D230-Y234 VanDerWaalsContact O-CB 3.31Å; D230-Y234 WeakPolarHBondContact O-CB 3.44Å; D230-Y234 PolarHBondContact O-N 3.45Å
231K90.9Very high88.3Confident52 Ų5280.2 Ų80.223%0.22637%0.371CS..Hα-helixtrans-61.1-49.6167.7167.1-162.4169.2-169.30110.7A227 E228 R233 Y234 E235A227-K231 VanDerWaalsContact O-CB 3.3Å; A227-K231 WeakPolarHBondContact O-CB 3.45Å; A227-K231 PolarHBondContact O-N 3.16Å; E228-K231 WeakPolarHBondContact O-CB 3.46Å; E228-K231 PolarHBondContact O-N 3.46Å; E228-K231 WeakPolarHBondContact OE1-CD 3.48Å; E228-K231 IonicContact OE1-NZ 3.56Å; E228-K231 WeakPolarHBondContact OE2-CD 3.49Å; E228-K231 IonicContact OE2-NZ 2.85Å; E228-K231 PolarHBondContact OE2-NZ 3.11Å; K231-R233 PolarHBondContact O-N 3.41Å; K231-Y234 PolarHBondContact O-N 3.07Å; K231-E235 WeakPolarHBondContact CE-OE1 3.39Å; K231-E235 HydrophobicContact CG-CG 4.42Å; K231-E235 WeakPolarHBondContact CG-OE1 3.48Å; K231-E235 WeakPolarHBondContact O-CB 3.42Å; K231-E235 WeakPolarHBondContact O-CG 3.4Å; K231-E235 PolarHBondContact O-N 2.85Å
232Q90.6Very high87.3Confident120 Ų12080.2 Ų80.256%0.56138%0.382SS*.Hα-helixtrans-59.4-45.6176.4-73.1169.3-1.400111.5E228 K229 Y234 E235 A236E228-Q232 WeakPolarHBondContact O-CG 3.44Å; E228-Q232 PolarHBondContact O-N 2.7Å; K229-Q232 PolarHBondContact O-N 2.74Å; Q232-Y234 PolarHBondContact O-N 3.03Å; Q232-E235 PolarHBondContact O-N 3.11Å; Q232-A236 WeakPolarHBondContact O-CB 3.31Å; Q232-A236 PolarHBondContact O-N 3.09Å
233R90.6Very high86.4Confident68 Ų6874 Ų7426%0.25736%0.364SS..Hα-helixtrans-53.1-53.1171.6178.3-163.663.573.910.6111.2R173 K229 D230 K231 E235 A236 E237R173-R233 PolarHBondContact O-NH1 2.9Å; R173-R233 PolarHBondContact O-NH2 3.47Å; K229-R233 PolarHBondContact O-N 3.44Å; D230-R233 VanDerWaalsContact CG-NH2 3.26Å; D230-R233 IonicContact OD1-CZ 2.69Å; D230-R233 IonicContact OD1-NE 3.67Å; D230-R233 PolarHBondContact OD1-NE 3.18Å; D230-R233 IonicContact OD1-NH2 3.96Å; D230-R233 PolarHBondContact OD1-NH2 3.13Å; D230-R233 IonicContact OD2-CZ 3.91Å; D230-R233 IonicContact OD2-NH2 2.77Å; D230-R233 PolarHBondContact OD2-NH2 3.2Å; K231-R233 PolarHBondContact O-N 3.41Å; R233-E235 VanDerWaalsContact C-N 3.35Å; R233-E235 PolarHBondContact O-N 3.4Å; R233-A236 PolarHBondContact O-N 3.24Å; R233-E237 WeakPolarHBondContact CD-OE1 3.39Å; R233-E237 HydrophobicContact CG-CG 4.4Å; R233-E237 WeakPolarHBondContact CG-OE1 3.42Å; R233-E237 IonicContact CZ-OE1 3.67Å; R233-E237 IonicContact CZ-OE2 2.76Å; R233-E237 IonicContact NE-OE1 2.7Å; R233-E237 IonicContact NH1-OE1 2.79Å; R233-E237 PolarHBondContact NH1-OE1 3.35Å; R233-E237 IonicContact NH1-OE2 3.64Å; R233-E237 PolarHBondContact NH1-OE2 2.94Å; R233-E237 WeakPolarHBondContact O-CB 3.39Å; R233-E237 VanDerWaalsContact O-CG 3.3Å; R233-E237 WeakPolarHBondContact O-CG 3.37Å; R233-E237 PolarHBondContact O-N 2.92Å
234Y87.4Confident85.4Confident56 Ų5676.3 Ų76.322%0.2238%0.38CS..Hα-helixtrans-65.1-35.9-179175.1-105.1000113P172 R173 R175 D230 K231 Q232 M238P172-Y234 HydrophobicContact CB-CD2 3.98Å; P172-Y234 HydrophobicContact CB-CE2 4.07Å; R173-Y234 WeakPolarHBondContact O-CD2 3.39Å; R175-Y234 HydrophobicContact CB-CD1 3.79Å; R175-Y234 HydrophobicContact CB-CG 3.88Å; R175-Y234 HydrophobicContact CG-CD1 3.96Å; R175-Y234 HydrophobicContact CG-CE1 4.26Å; R175-Y234 HydrophobicContact CG-CG 4.48Å; D230-Y234 VanDerWaalsContact O-CB 3.31Å; D230-Y234 WeakPolarHBondContact O-CB 3.44Å; D230-Y234 PolarHBondContact O-N 3.45Å; K231-Y234 PolarHBondContact O-N 3.07Å; Q232-Y234 PolarHBondContact O-N 3.03Å; Y234-M238 HydrophobicContact CD2-CE 4.39Å; Y234-M238 HydrophobicContact CE1-CE 4.37Å; Y234-M238 HydrophobicContact CE2-CE 3.52Å; Y234-M238 WeakPolarHBondContact O-CB 3.35Å; Y234-M238 PolarHBondContact O-N 3.4Å; Y234-M238 WeakPolarHBondContact OH-CE 3.38Å
235E84.9Confident83.3Confident80 Ų8082.2 Ų82.237%0.37441%0.405SS..Hα-helixtrans-69.2-43177.5-75.8166-17300110.9R175 K231 Q232 R233 M238 Q239R175-E235 IonicContact NH1-OE1 3.88Å; K231-E235 WeakPolarHBondContact CE-OE1 3.39Å; K231-E235 HydrophobicContact CG-CG 4.42Å; K231-E235 WeakPolarHBondContact CG-OE1 3.48Å; K231-E235 WeakPolarHBondContact O-CB 3.42Å; K231-E235 WeakPolarHBondContact O-CG 3.4Å; K231-E235 PolarHBondContact O-N 2.85Å; Q232-E235 PolarHBondContact O-N 3.11Å; R233-E235 VanDerWaalsContact C-N 3.35Å; R233-E235 PolarHBondContact O-N 3.4Å; E235-M238 PolarHBondContact O-N 3.5Å; E235-Q239 WeakPolarHBondContact O-CG 3.24Å; E235-Q239 PolarHBondContact O-N 2.89Å
236A87.8Confident81.7Confident45 Ų4581.3 Ų81.337%0.37242%0.421SS..Hα-helixtrans-64.5-50.2172.300000112.2Q232 R233 M238 Q239 N240Q232-A236 WeakPolarHBondContact O-CB 3.31Å; Q232-A236 PolarHBondContact O-N 3.09Å; R233-A236 PolarHBondContact O-N 3.24Å; A236-M238 PolarHBondContact O-N 2.94Å; A236-Q239 WeakPolarHBondContact O-CB 3.46Å; A236-Q239 PolarHBondContact O-N 3.41Å; A236-N240 PolarHBondContact O-N 2.84Å; A236-N240 PolarHBondContact O-OD1 3.38Å; A236-N240 VanDerWaalsContact O-OD1 3.1Å
237E85.9Confident80.1Confident71 Ų7181 Ų8133%0.33243%0.427SS..Hα-helixtrans-56.4-35.9174.5-75.2176.6-162.100111.8P172 R173 R233 Y241P172-E237 WeakPolarHBondContact CA-OE2 3.43Å; P172-E237 HydrophobicContact CB-CB 3.63Å; P172-E237 WeakPolarHBondContact CB-OE2 3.37Å; P172-E237 VanDerWaalsContact CG-C 3.49Å; P172-E237 HydrophobicContact CG-CB 3.7Å; P172-E237 VanDerWaalsContact CG-O 3.26Å; P172-E237 WeakPolarHBondContact CG-O 3.24Å; R173-E237 PolarHBondContact N-OE2 3.38Å; R233-E237 WeakPolarHBondContact CD-OE1 3.39Å; R233-E237 HydrophobicContact CG-CG 4.4Å; R233-E237 WeakPolarHBondContact CG-OE1 3.42Å; R233-E237 IonicContact CZ-OE1 3.67Å; R233-E237 IonicContact CZ-OE2 2.76Å; R233-E237 IonicContact NE-OE1 2.7Å; R233-E237 IonicContact NH1-OE1 2.79Å; R233-E237 PolarHBondContact NH1-OE1 3.35Å; R233-E237 IonicContact NH1-OE2 3.64Å; R233-E237 PolarHBondContact NH1-OE2 2.94Å; R233-E237 WeakPolarHBondContact O-CB 3.39Å; R233-E237 VanDerWaalsContact O-CG 3.3Å; R233-E237 WeakPolarHBondContact O-CG 3.37Å; R233-E237 PolarHBondContact O-N 2.92Å; E237-Y241 VanDerWaalsContact O-CB 3.25Å; E237-Y241 WeakPolarHBondContact O-CB 3.42Å; E237-Y241 PolarHBondContact O-N 3.32Å
238M83Confident78.3Confident60 Ų6087 Ų8730%0.29646%0.463SS..Hα-helixtrans-73.7-32.7176.5-167.562.748.400113.1P172 Y234 E235 A236 N240 Y241P172-M238 HydrophobicContact CB-CE 3.9Å; P172-M238 HydrophobicContact CG-CE 3.9Å; Y234-M238 HydrophobicContact CD2-CE 4.39Å; Y234-M238 HydrophobicContact CE1-CE 4.37Å; Y234-M238 HydrophobicContact CE2-CE 3.52Å; Y234-M238 WeakPolarHBondContact O-CB 3.35Å; Y234-M238 PolarHBondContact O-N 3.4Å; Y234-M238 WeakPolarHBondContact OH-CE 3.38Å; E235-M238 PolarHBondContact O-N 3.5Å; A236-M238 PolarHBondContact O-N 2.94Å; M238-N240 VanDerWaalsContact C-N 3.34Å; M238-Y241 PolarHBondContact O-N 2.91Å; M238-Y241 HydrophobicContact SD-CD1 3.93Å
239Q81.4Confident76.5Confident165 Ų16587.1 Ų87.177%0.77147%0.468SS*.Hα-helixtrans-65.8-38.2172.7-75.9173.2-4.800111.5E235 A236E235-Q239 WeakPolarHBondContact O-CG 3.24Å; E235-Q239 PolarHBondContact O-N 2.89Å; A236-Q239 WeakPolarHBondContact O-CB 3.46Å; A236-Q239 PolarHBondContact O-N 3.41Å
240N78.8Confident74.9Confident137 Ų13782.1 Ų82.173%0.73346%0.457SS*.Hα-helixtrans-81.1-12.1175.3-68.7100.6000113.9A236 M238 V242A236-N240 PolarHBondContact O-N 2.84Å; A236-N240 PolarHBondContact O-OD1 3.38Å; A236-N240 VanDerWaalsContact O-OD1 3.1Å; M238-N240 VanDerWaalsContact C-N 3.34Å; N240-V242 PolarHBondContact O-N 3.49Å
241Y79.6Confident73.2Confident29 Ų2993.7 Ų93.711%0.11450%0.5CS..  trans-83.8105.1-178.4176.7-113.5000112.1A170 K171 P172 E237 M238 P243 V249A170-Y241 HydrophobicContact CB-CE2 4Å; A170-Y241 WeakPolarHBondContact O-CD2 3.41Å; A170-Y241 VanDerWaalsContact O-CE2 3.24Å; A170-Y241 WeakPolarHBondContact O-CE2 3.3Å; K171-Y241 HydrophobicContact CB-CE2 4.26Å; K171-Y241 HydrophobicContact CG-CE1 4.24Å; P172-Y241 VanDerWaalsContact CD-CG 3.45Å; P172-Y241 HydrophobicContact CG-CD2 4.47Å; P172-Y241 HydrophobicContact CG-CG 4.03Å; E237-Y241 VanDerWaalsContact O-CB 3.25Å; E237-Y241 WeakPolarHBondContact O-CB 3.42Å; E237-Y241 PolarHBondContact O-N 3.32Å; M238-Y241 PolarHBondContact O-N 2.91Å; M238-Y241 HydrophobicContact SD-CD1 3.93Å; Y241-P243 HydrophobicContact CD1-CB 4.46Å; Y241-P243 HydrophobicContact CE1-CB 3.73Å; Y241-P243 HydrophobicContact CE1-CG 4.44Å; Y241-P243 VanDerWaalsContact O-CD 3.24Å; Y241-P243 WeakPolarHBondContact O-CD 3.49Å; Y241-V249 HydrophobicContact CE1-CG1 3.98Å
242V71.1Confident71.3Confident128 Ų12894.1 Ų94.178%0.77652%0.52SS*.  trans-85.7110.5164.4-177.30000108.6N240N240-V242 PolarHBondContact O-N 3.49Å
243P71.1Confident69.4Low42 Ų4298 Ų9827%0.27354%0.535SS..  trans-66.1139.6177.823.5-30.8000111.6Y241 K245 V249Y241-P243 HydrophobicContact CD1-CB 4.46Å; Y241-P243 HydrophobicContact CE1-CB 3.73Å; Y241-P243 HydrophobicContact CE1-CG 4.44Å; Y241-P243 VanDerWaalsContact O-CD 3.24Å; Y241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-K245 PolarHBondContact O-N 2.95Å; P243-V249 HydrophobicContact CB-CB 4.2Å; P243-V249 HydrophobicContact CB-CG1 3.43Å; P243-V249 VanDerWaalsContact CB-CG1 3.43Å; P243-V249 HydrophobicContact CB-CG2 3.74Å; P243-V249 HydrophobicContact CG-CB 4.22Å; P243-V249 HydrophobicContact CG-CG1 3.79Å; P243-V249 HydrophobicContact CG-CG2 3.52Å
244P71.7Confident67.6Low65 Ų65104 Ų10442%0.42256%0.563SS.*  trans-53.1135.7175.7-26.834.3000111.9G246 A247P244-G246 PolarHBondContact O-N 3.33Å; P244-A247 HydrophobicContact CB-CB 4.22Å; P244-A247 HydrophobicContact CG-CB 4.49Å; P244-A247 WeakPolarHBondContact O-CB 3.3Å; P244-A247 PolarHBondContact O-N 3.24Å
245K47.8Very low65.8Low224 Ų224113 Ų11397%0.97460%0.597SS**THydrogen-bonded Turntrans-57111.4177.5-77.8-177.7175.4175.90109.7P243P243-K245 PolarHBondContact O-N 2.95Å
246G57.7Low64.5Low77 Ų77117.7 Ų117.779%0.79462%0.616SS**THydrogen-bonded Turntrans110.1-18.5-176.600000114.7P244 V248P244-G246 PolarHBondContact O-N 3.33Å; G246-V248 PolarHBondContact O-N 3.01Å
247A56.4Low62.8Low46 Ų46122.7 Ų122.738%0.3863%0.631SS.*  trans-72.2116.1171.200000109.8P244 V249P244-A247 HydrophobicContact CB-CB 4.22Å; P244-A247 HydrophobicContact CG-CB 4.49Å; P244-A247 WeakPolarHBondContact O-CB 3.3Å; P244-A247 PolarHBondContact O-N 3.24Å; A247-V249 PolarHBondContact O-N 3.48Å
248V55.3Low61.4Low135 Ų135126.7 Ų126.782%0.81865%0.653SS**  trans-68.991.2-179.6-172.50000109.9G246 G250G246-V248 PolarHBondContact O-N 3.01Å; V248-G250 PolarHBondContact O-N 3.46Å
249V53.8Low60.6Low83 Ų83130.7 Ų130.750%0.50367%0.669SS.*  trans-71.469.4172.8-103.70000111.6Y241 P243 A247Y241-V249 HydrophobicContact CE1-CG1 3.98Å; P243-V249 HydrophobicContact CB-CB 4.2Å; P243-V249 HydrophobicContact CB-CG1 3.43Å; P243-V249 VanDerWaalsContact CB-CG1 3.43Å; P243-V249 HydrophobicContact CB-CG2 3.74Å; P243-V249 HydrophobicContact CG-CB 4.22Å; P243-V249 HydrophobicContact CG-CG1 3.79Å; P243-V249 HydrophobicContact CG-CG2 3.52Å; A247-V249 PolarHBondContact O-N 3.48Å
250G56.1Low59.9Low37 Ų37126.7 Ų126.738%0.38165%0.653SS.*SBendtrans-150.5127.4163.100000106.9V248 G252V248-G250 PolarHBondContact O-N 3.46Å; G250-G252 WeakPolarHBondContact O-CA 3.49Å; G250-G252 PolarHBondContact O-N 2.93Å
251R54.5Low59.7Low247 Ų247126.2 Ų126.293%0.93266%0.657SS**SBendtrans-51.7110.1164.7178.3-179.4-173.9172.11.1106.1K253R251-K253 PolarHBondContact O-N 3.43Å
252G50.8Low59.4Low62 Ų62131.4 Ų131.464%0.63969%0.687SS**  trans-39.5112.5-151.100000112.5G250 K254G250-G252 WeakPolarHBondContact O-CA 3.49Å; G250-G252 PolarHBondContact O-N 2.93Å; G252-K254 PolarHBondContact O-N 2.81Å
253K50.8Low59.8Low200 Ų200126.8 Ų126.887%0.8766%0.662SS**  trans-63.487.3169.2-167.7172.2-167.3169.90104.4R251 R255R251-K253 PolarHBondContact O-N 3.43Å; K253-R255 PolarHBondContact O-N 2.82Å
254K54.1Low60.5Low194 Ų194126 Ų12684%0.84366%0.657SS**  trans-39.2118.2-168.8-78.7-175.8174.2-176.20106.1G252 K256G252-K254 PolarHBondContact O-N 2.81Å; K254-K256 WeakPolarHBondContact O-CA 3.49Å; K254-K256 PolarHBondContact O-N 3.08Å
255R49.8Very low61.2Low247 Ų247131.1 Ų131.193%0.93267%0.673SS**  trans-43.4113.5178.5-70.9178.698.4-1737.7104.4K253 Q257K253-R255 PolarHBondContact O-N 2.82Å; R255-Q257 PolarHBondContact O-N 3.36Å
256K56.8Low63.1Low178 Ų178128.1 Ų128.177%0.77466%0.655SS**  trans-48.2112.3-167.2-75175.2179.2173.70104.8K254 I258K254-K256 WeakPolarHBondContact O-CA 3.49Å; K254-K256 PolarHBondContact O-N 3.08Å; K256-I258 PolarHBondContact O-N 3.38Å
257Q52.9Low64.7Low150 Ų150126.1 Ų126.170%0.70163%0.629SS**  trans-47.7124.5-171-179.7172.8-11.400106.1R255 K259R255-Q257 PolarHBondContact O-N 3.36Å; Q257-K259 VanDerWaalsContact C-N 3.29Å; Q257-K259 WeakPolarHBondContact O-CD 3.47Å; Q257-K259 PolarHBondContact O-N 3.45Å
258I56.8Low66.5Low155 Ų155125.9 Ų125.980%0.79562%0.621SS**  trans-55.2108.8174.9-62174000102.5K256 D260K256-I258 PolarHBondContact O-N 3.38Å; I258-D260 PolarHBondContact O-N 2.86Å
259K65.8Low68.3Low144 Ų144122.8 Ų122.863%0.62661%0.606SS**  trans-67.9137.2-177.9-70.193.9-176.9-168.90104.9Q257Q257-K259 VanDerWaalsContact C-N 3.29Å; Q257-K259 WeakPolarHBondContact O-CD 3.47Å; Q257-K259 PolarHBondContact O-N 3.45Å
260D66.1Low70.2Confident81 Ų81119.1 Ų119.143%0.43358%0.584SS.*  trans-50.2130.6175-45.8-58000107.2I258 N262 A263 Y331I258-D260 PolarHBondContact O-N 2.86Å; D260-N262 PolarHBondContact O-N 3.21Å; D260-A263 HydrophobicContact CB-CB 4.26Å; D260-A263 VanDerWaalsContact O-CB 3.28Å; D260-A263 WeakPolarHBondContact O-CB 3.19Å; D260-A263 PolarHBondContact O-N 3.47Å; D260-Y331 VanDerWaalsContact CB-OH 3.28Å; D260-Y331 WeakPolarHBondContact CB-OH 3.5Å; D260-Y331 PolarHBondContact OD2-OH 3.47Å
261P75.1Confident72Confident127 Ų127120.3 Ų120.383%0.82558%0.579SS**THydrogen-bonded Turntrans-56.1-22.1-178.1-2936.4000113.6
262N73.4Confident73.8Confident137 Ų137113 Ų11373%0.73355%0.554SS**THydrogen-bonded Turntrans-91.8-1.7179.1-58.1-5.4000113.6D260 Y331D260-N262 PolarHBondContact O-N 3.21Å; N262-Y331 HydrophobicContact CB-CE2 4.3Å; N262-Y331 WeakPolarHBondContact O-CD2 3.49Å; N262-Y331 WeakPolarHBondContact O-CE2 3.38Å
263A79.6Confident75.8Confident32 Ų32113 Ų11326%0.26454%0.535SS..SBendtrans-73130.3178.500000110.6D260 K265 Y331D260-A263 HydrophobicContact CB-CB 4.26Å; D260-A263 VanDerWaalsContact O-CB 3.28Å; D260-A263 WeakPolarHBondContact O-CB 3.19Å; D260-A263 PolarHBondContact O-N 3.47Å; A263-K265 PolarHBondContact O-N 3.18Å; A263-Y331 HydrophobicContact CB-CE1 4.22Å; A263-Y331 HydrophobicContact CB-CE2 4.4Å
264P84.2Confident77.9Confident24 Ų24104 Ų10416%0.15650%0.495CS..PPolyproline II helixtrans-50.6136.2176.9-30.436000112.6R266 Y324 E327 M328 Y331P264-R266 PolarHBondContact O-N 2.88Å; P264-Y324 HydrophobicContact CB-CD2 3.98Å; P264-Y324 HydrophobicContact CB-CE2 3.96Å; P264-E327 HydrophobicContact CB-CB 3.79Å; P264-E327 HydrophobicContact CG-CB 3.83Å; P264-E327 VanDerWaalsContact CG-O 3.31Å; P264-E327 WeakPolarHBondContact CG-O 3.48Å; P264-M328 HydrophobicContact CG-SD 4.33Å; P264-Y331 VanDerWaalsContact CD-CG 3.44Å; P264-Y331 HydrophobicContact CG-CG 4.15Å
265K86.4Confident79.7Confident173 Ų17395 Ų9575%0.75246%0.458SS*.PPolyproline II helixtrans-73125.7179.4-172.2177.8-180-177.40108.5A263 S267 Y324A263-K265 PolarHBondContact O-N 3.18Å; K265-S267 PolarHBondContact O-N 2.8Å; K265-Y324 WeakPolarHBondContact O-CD2 3.13Å
266R89.3Confident81.7Confident162 Ų16287.4 Ų87.461%0.61144%0.435SS*.  trans-45.1140177.775.2179.4-168.4138.18.8111.4P264P264-R266 PolarHBondContact O-N 2.88Å
267S90.9Very high83.3Confident35 Ų3582.6 Ų82.625%0.24542%0.418CS..PPolyproline II helixtrans-59.9151.8173.550.10000112.6K265 D320K265-S267 PolarHBondContact O-N 2.8Å; S267-D320 WeakPolarHBondContact CA-OD2 3.46Å; S267-D320 WeakPolarHBondContact CB-OD2 3.32Å
268L92.9Very high85.1Confident40 Ų4077 Ų7721%0.20939%0.392CS..PPolyproline II helixtrans-93.2133175.5-61.3-179.5000110.3F272 W273 D320L268-F272 HydrophobicContact CB-CB 4.21Å; L268-F272 HydrophobicContact CD2-CB 4.29Å; L268-W273 HydrophobicContact CD1-CD2 4.47Å; L268-W273 HydrophobicContact CD1-CZ2 4.23Å; L268-D320 PolarHBondContact N-OD2 3.4Å
269S94.3Very high86.8Confident71 Ų7173.7 Ų73.750%0.49737%0.369SS..PPolyproline II helixtrans-72.2158.4170.4176.30000110.7F271 F272 W273S269-F271 PolarHBondContact O-N 3.23Å; S269-F272 WeakPolarHBondContact O-CA 3.45Å; S269-F272 WeakPolarHBondContact O-CB 3.48Å; S269-F272 PolarHBondContact O-N 2.82Å; S269-W273 PolarHBondContact O-N 3.34Å; S269-W273 VanDerWaalsContact O-N 3.17Å
270A93.6Very high88Confident6 Ų672.2 Ų72.25%0.0537%0.368CS..Hα-helixtrans-48.7-44.4178.900000113F272 W273 F274 W302 E314 A317A270-F272 VanDerWaalsContact C-N 3.28Å; A270-F272 PolarHBondContact O-N 3.3Å; A270-W273 WeakPolarHBondContact O-CB 3.49Å; A270-W273 PolarHBondContact O-N 3.28Å; A270-W273 VanDerWaalsContact O-N 3.14Å; A270-F274 PolarHBondContact O-N 3.16Å; A270-W302 HydrophobicContact CB-CH2 3.7Å; A270-W302 HydrophobicContact CB-CZ2 3.88Å; A270-E314 HydrophobicContact CB-CB 4.34Å; A270-E314 HydrophobicContact CB-CG 3.63Å; A270-A317 HydrophobicContact CB-CB 4.09Å; A270-A317 VanDerWaalsContact N-CB 3.33Å
271F92.8Very high89.2Confident61 Ų6173.5 Ų73.527%0.26837%0.37SS..Hα-helixtrans-58.8-35.8175.1175.3-115.5000113.5S269 C275 W302S269-F271 PolarHBondContact O-N 3.23Å; F271-C275 WeakPolarHBondContact CE2-SG 3.47Å; F271-C275 WeakPolarHBondContact CZ-SG 3.35Å; F271-C275 VanDerWaalsContact O-CB 3.27Å; F271-C275 WeakPolarHBondContact O-CB 3.09Å; F271-C275 PolarHBondContact O-N 3.01Å; F271-C275 PolarHBondContact O-SG 3Å; F271-W302 HydrophobicContact CB-CD2 4.33Å; F271-W302 HydrophobicContact CB-CZ2 4.38Å; F271-W302 HydrophobicContact CD2-CB 3.66Å; F271-W302 AromaticContact CD2-CD1 3.58Å; F271-W302 AromaticContact CD2-CD2 3.85Å; F271-W302 HydrophobicContact CD2-CD2 3.85Å; F271-W302 AromaticContact CD2-CG 3.38Å; F271-W302 HydrophobicContact CD2-CG 3.38Å; F271-W302 HydrophobicContact CE2-CB 3.75Å; F271-W302 AromaticContact CE2-CG 3.99Å; F271-W302 HydrophobicContact CE2-CG 3.99Å; F271-W302 HydrophobicContact CG-CG 4.36Å
272F93.5Very high89.8Confident95 Ų9567.5 Ų67.542%0.41733%0.331SS..Hα-helixtrans-75.9-29.8177.7-80.8-74.6000112.7L268 S269 A270 N276L268-F272 HydrophobicContact CB-CB 4.21Å; L268-F272 HydrophobicContact CD2-CB 4.29Å; S269-F272 WeakPolarHBondContact O-CA 3.45Å; S269-F272 WeakPolarHBondContact O-CB 3.48Å; S269-F272 PolarHBondContact O-N 2.82Å; A270-F272 VanDerWaalsContact C-N 3.28Å; A270-F272 PolarHBondContact O-N 3.3Å; F272-N276 PolarHBondContact O-N 2.71Å; F272-N276 VanDerWaalsContact O-N 3.15Å
273W93.5Very high90.6Very high62 Ų6266.8 Ų66.824%0.23532%0.321CS..Hα-helixtrans-65.8-50.7169.2-76.3111000110.9L268 S269 A270 C275 N276 D277 Y313 D320L268-W273 HydrophobicContact CD1-CD2 4.47Å; L268-W273 HydrophobicContact CD1-CZ2 4.23Å; S269-W273 PolarHBondContact O-N 3.34Å; S269-W273 VanDerWaalsContact O-N 3.17Å; A270-W273 WeakPolarHBondContact O-CB 3.49Å; A270-W273 PolarHBondContact O-N 3.28Å; A270-W273 VanDerWaalsContact O-N 3.14Å; W273-C275 VanDerWaalsContact C-N 3.31Å; W273-C275 PolarHBondContact O-N 3.5Å; W273-N276 WeakPolarHBondContact O-CB 3.45Å; W273-N276 PolarHBondContact O-N 2.91Å; W273-D277 PolarHBondContact O-N 3.36Å; W273-Y313 HydrophobicContact CB-CD1 3.83Å; W273-D320 HydrophobicContact CZ2-CB 4.01Å
274F93.5Very high91.1Very high9 Ų969 Ų694%0.03934%0.34CS..Hα-helixtrans-54.1-45.6172.5174.4-100.7000112.5A270 N276 D277 E278 L298 K301 W302 V305 Y313A270-F274 PolarHBondContact O-N 3.16Å; F274-N276 VanDerWaalsContact C-N 3.25Å; F274-N276 PolarHBondContact O-N 3.32Å; F274-D277 PolarHBondContact O-N 3.06Å; F274-E278 HydrophobicContact CD2-CG 3.97Å; F274-E278 HydrophobicContact CE1-CG 4.34Å; F274-E278 HydrophobicContact CE2-CG 3.59Å; F274-E278 HydrophobicContact CZ-CB 4.41Å; F274-E278 HydrophobicContact CZ-CG 3.8Å; F274-E278 WeakPolarHBondContact O-CB 3.41Å; F274-E278 PolarHBondContact O-N 3.14Å; F274-L298 HydrophobicContact CE1-CD2 4.29Å; F274-K301 HydrophobicContact CE1-CB 4.26Å; F274-K301 HydrophobicContact CZ-CB 3.95Å; F274-W302 HydrophobicContact CB-CE3 3.65Å; F274-W302 HydrophobicContact CB-CZ3 3.65Å; F274-W302 HydrophobicContact CD1-CB 4.08Å; F274-W302 HydrophobicContact CD1-CD2 4.35Å; F274-W302 AromaticContact CD1-CE3 3.68Å; F274-W302 HydrophobicContact CD1-CE3 3.68Å; F274-W302 AromaticContact CD2-CE3 3.93Å; F274-W302 HydrophobicContact CD2-CE3 3.93Å; F274-W302 HydrophobicContact CD2-CZ3 4.2Å; F274-W302 HydrophobicContact CE1-CB 3.9Å; F274-W302 HydrophobicContact CE1-CE3 4.26Å; F274-W302 HydrophobicContact CE2-CE3 4.47Å; F274-W302 AromaticContact CG-CE3 3.48Å; F274-W302 HydrophobicContact CG-CE3 3.48Å; F274-W302 VanDerWaalsContact CG-CE3 3.48Å; F274-W302 AromaticContact CG-CZ3 3.9Å; F274-W302 HydrophobicContact CG-CZ3 3.9Å; F274-V305 HydrophobicContact CE2-CG2 4.26Å; F274-Y313 HydrophobicContact CB-CD1 4.17Å; F274-Y313 HydrophobicContact CB-CD2 4.15Å; F274-Y313 HydrophobicContact CB-CE1 4.25Å; F274-Y313 HydrophobicContact CB-CE2 4.23Å; F274-Y313 HydrophobicContact CB-CG 4.14Å; F274-Y313 HydrophobicContact CD2-CD2 4.15Å; F274-Y313 AromaticContact CD2-CE2 3.64Å; F274-Y313 HydrophobicContact CD2-CE2 3.64Å; F274-Y313 AromaticContact CD2-CZ 3.99Å; F274-Y313 HydrophobicContact CG-CE2 4.44Å
275C92.3Very high91.3Very high7 Ų773.7 Ų73.75%0.04736%0.363CS..Hα-helixtrans-64.7-20.9176.5-77.80000114.8F271 W273 R279 L298F271-C275 WeakPolarHBondContact CE2-SG 3.47Å; F271-C275 WeakPolarHBondContact CZ-SG 3.35Å; F271-C275 VanDerWaalsContact O-CB 3.27Å; F271-C275 WeakPolarHBondContact O-CB 3.09Å; F271-C275 PolarHBondContact O-N 3.01Å; F271-C275 PolarHBondContact O-SG 3Å; W273-C275 VanDerWaalsContact C-N 3.31Å; W273-C275 PolarHBondContact O-N 3.5Å; C275-R279 WeakPolarHBondContact O-CB 3.47Å; C275-R279 PolarHBondContact O-N 3.07Å; C275-L298 HydrophobicContact CB-CD1 4.32Å
276N91.8Very high91.2Very high86 Ų8668.2 Ų68.246%0.4634%0.342SS..Hα-helixtrans-75.2-45.3174.5-94.23.1000110.3F272 W273 F274F272-N276 PolarHBondContact O-N 2.71Å; F272-N276 VanDerWaalsContact O-N 3.15Å; W273-N276 WeakPolarHBondContact O-CB 3.45Å; W273-N276 PolarHBondContact O-N 2.91Å; F274-N276 VanDerWaalsContact C-N 3.25Å; F274-N276 PolarHBondContact O-N 3.32Å
277D91.4Very high91Very high78 Ų7865.6 Ų65.642%0.41735%0.346SS..Hα-helixtrans-76.9-40.6-174.1-62.9-10.9000111.8W273 F274W273-D277 PolarHBondContact O-N 3.36Å; F274-D277 PolarHBondContact O-N 3.06Å
278E90.8Very high90.9Very high33 Ų3372.6 Ų72.615%0.15438%0.375CS..Hα-helixtrans-84.1-24.9-177.5-74.1-58.2132.400114.3F274 N280 K281 V282 L298F274-E278 HydrophobicContact CD2-CG 3.97Å; F274-E278 HydrophobicContact CE1-CG 4.34Å; F274-E278 HydrophobicContact CE2-CG 3.59Å; F274-E278 HydrophobicContact CZ-CB 4.41Å; F274-E278 HydrophobicContact CZ-CG 3.8Å; F274-E278 WeakPolarHBondContact O-CB 3.41Å; F274-E278 PolarHBondContact O-N 3.14Å; E278-N280 VanDerWaalsContact C-N 3.26Å; E278-N280 PolarHBondContact O-N 2.88Å; E278-K281 PolarHBondContact O-N 3.16Å; E278-K281 WeakPolarHBondContact OE1-CD 3.43Å; E278-K281 WeakPolarHBondContact OE1-CE 3.4Å; E278-K281 IonicContact OE1-NZ 2.67Å; E278-K281 PolarHBondContact OE1-NZ 2.93Å; E278-V282 WeakPolarHBondContact O-CG2 3.27Å; E278-V282 PolarHBondContact O-N 3Å; E278-L298 HydrophobicContact CB-CD2 3.36Å
279R91.2Very high90.5Very high84 Ų8474.8 Ų74.832%0.31738%0.383SS..Hα-helixtrans-56.9-39.8-179169.6-176.9-61.8-100.6-8.7112.8C275 K283 I294 L298C275-R279 WeakPolarHBondContact O-CB 3.47Å; C275-R279 PolarHBondContact O-N 3.07Å; R279-K283 VanDerWaalsContact O-CB 3.24Å; R279-K283 WeakPolarHBondContact O-CB 3.46Å; R279-K283 PolarHBondContact O-N 2.89Å; R279-I294 HydrophobicContact CG-CG2 4.24Å; R279-L298 HydrophobicContact CB-CD1 3.96Å
280N90.9Very high90.3Very high113 Ų11373.1 Ų73.160%0.60438%0.377SS*.Hα-helixtrans-69.5-36.9179.1-67.5-27.2000111.3E278 A284E278-N280 VanDerWaalsContact C-N 3.26Å; E278-N280 PolarHBondContact O-N 2.88Å; N280-A284 WeakPolarHBondContact O-CB 3.33Å; N280-A284 PolarHBondContact O-N 3.48Å
281K90.7Very high89.9Confident109 Ų10977.8 Ų77.847%0.47441%0.405SS..Hα-helixtrans-68.2-48176.2-53.3-176-160.4166.30111.4E278 K283 A284 L285E278-K281 PolarHBondContact O-N 3.16Å; E278-K281 WeakPolarHBondContact OE1-CD 3.43Å; E278-K281 WeakPolarHBondContact OE1-CE 3.4Å; E278-K281 IonicContact OE1-NZ 2.67Å; E278-K281 PolarHBondContact OE1-NZ 2.93Å; K281-K283 VanDerWaalsContact C-N 3.31Å; K281-K283 PolarHBondContact O-N 3.42Å; K281-A284 PolarHBondContact O-N 3.23Å; K281-L285 WeakPolarHBondContact O-CG 3.4Å; K281-L285 PolarHBondContact O-N 3.05Å
282V89Confident89.8Confident0 Ų077 Ų770%041%0.414CS..Hα-helixtrans-61.4-39.4176.7176.20000111.4E278 L285 N286 I294 E297 L298 K301E278-V282 WeakPolarHBondContact O-CG2 3.27Å; E278-V282 PolarHBondContact O-N 3Å; V282-L285 PolarHBondContact O-N 2.97Å; V282-N286 PolarHBondContact O-N 3.3Å; V282-N286 PolarHBondContact O-ND2 3.36Å; V282-I294 HydrophobicContact CB-CG2 4.26Å; V282-I294 HydrophobicContact CG1-CB 4.42Å; V282-I294 HydrophobicContact CG1-CG1 4.31Å; V282-I294 HydrophobicContact CG1-CG2 3.97Å; V282-E297 HydrophobicContact CG1-CB 4.3Å; V282-E297 HydrophobicContact CG1-CG 3.97Å; V282-L298 HydrophobicContact CG2-CD2 3.87Å; V282-L298 HydrophobicContact CG2-CG 4.42Å; V282-K301 HydrophobicContact CG2-CD 4.46Å
283K90.3Very high89.7Confident122 Ų12275.7 Ų75.753%0.5341%0.411SS..Hα-helixtrans-68.4-35.9174.7-170.5-178.1177.4-169.10113.1R279 K281 N286 P287 I294R279-K283 VanDerWaalsContact O-CB 3.24Å; R279-K283 WeakPolarHBondContact O-CB 3.46Å; R279-K283 PolarHBondContact O-N 2.89Å; K281-K283 VanDerWaalsContact C-N 3.31Å; K281-K283 PolarHBondContact O-N 3.42Å; K283-N286 CarbonylContact O-C 3.55Å; K283-N286 VanDerWaalsContact O-C 3.28Å; K283-P287 VanDerWaalsContact O-CA 3.28Å; K283-P287 WeakPolarHBondContact O-CA 3.5Å; K283-I294 HydrophobicContact CB-CD1 3.96Å; K283-I294 HydrophobicContact CG-CD1 4.05Å
284A90.1Very high89.5Confident80 Ų8073 Ų7366%0.66140%0.401SS*.Hα-helixtrans-69.4-37.5175.900000112N280 K281N280-A284 WeakPolarHBondContact O-CB 3.33Å; N280-A284 PolarHBondContact O-N 3.48Å; K281-A284 PolarHBondContact O-N 3.23Å
285L88.2Confident89.4Confident122 Ų12274.6 Ų74.664%0.63942%0.416SS*.Hα-helixtrans-72.7-34.5175.6-68.3169.2000112.8K281 V282K281-L285 WeakPolarHBondContact O-CG 3.4Å; K281-L285 PolarHBondContact O-N 3.05Å; V282-L285 PolarHBondContact O-N 2.97Å
286N83.7Confident89.4Confident57 Ų5780.8 Ų80.831%0.30544%0.442SS..  trans-129.674.9-178.8-56.6-86.8000110.2V282 K283 E288 F289V282-N286 PolarHBondContact O-N 3.3Å; V282-N286 PolarHBondContact O-ND2 3.36Å; K283-N286 CarbonylContact O-C 3.55Å; K283-N286 VanDerWaalsContact O-C 3.28Å; N286-E288 PolarHBondContact O-N 3.02Å; N286-F289 HydrophobicContact CB-CB 4.09Å; N286-F289 HydrophobicContact CB-CD1 4.03Å; N286-F289 HydrophobicContact CB-CD2 3.46Å; N286-F289 VanDerWaalsContact CB-CD2 3.46Å; N286-F289 HydrophobicContact CB-CE1 4.32Å; N286-F289 HydrophobicContact CB-CE2 3.8Å; N286-F289 HydrophobicContact CB-CG 3.58Å; N286-F289 HydrophobicContact CB-CZ 4.22Å; N286-F289 PolarHBondContact O-N 2.98Å; N286-F289 VanDerWaalsContact O-N 3.09Å
287P85.4Confident89.4Confident107 Ų10779.5 Ų79.570%0.69543%0.434SS*.THydrogen-bonded Turntrans-66.1-18.5-177.226.2-34.7000113.7K283K283-P287 VanDerWaalsContact O-CA 3.28Å; K283-P287 WeakPolarHBondContact O-CA 3.5Å
288E88Confident89.5Confident183 Ų18375.8 Ų75.886%0.85541%0.414SS*.THydrogen-bonded Turntrans-77.1-22.7174.4-163.3-177.7177.400113.1N286 G290N286-E288 PolarHBondContact O-N 3.02Å; E288-G290 PolarHBondContact O-N 3.38Å
289F86.4Confident89.6Confident85 Ų8575.5 Ų75.537%0.37342%0.419SS..  trans-70.8128.2-174.1-75.93.1000112.4N286 D293 I294N286-F289 HydrophobicContact CB-CB 4.09Å; N286-F289 HydrophobicContact CB-CD1 4.03Å; N286-F289 HydrophobicContact CB-CD2 3.46Å; N286-F289 VanDerWaalsContact CB-CD2 3.46Å; N286-F289 HydrophobicContact CB-CE1 4.32Å; N286-F289 HydrophobicContact CB-CE2 3.8Å; N286-F289 HydrophobicContact CB-CG 3.58Å; N286-F289 HydrophobicContact CB-CZ 4.22Å; N286-F289 PolarHBondContact O-N 2.98Å; N286-F289 VanDerWaalsContact O-N 3.09Å; F289-D293 HydrophobicContact CB-CB 4.38Å; F289-D293 HydrophobicContact CG-CB 4.45Å; F289-I294 HydrophobicContact CB-CD1 4.46Å; F289-I294 HydrophobicContact CB-CG1 3.82Å; F289-I294 WeakPolarHBondContact O-CD1 3.41Å
290G88.4Confident89.6Confident36 Ų3679.8 Ų79.837%0.37144%0.435SS..  trans-63.8159.1171.500000112.5E288 G292 D293 I294E288-G290 PolarHBondContact O-N 3.38Å; G290-G292 PolarHBondContact O-N 2.89Å; G290-D293 PolarHBondContact O-N 3.33Å; G290-I294 WeakPolarHBondContact O-CG1 3.38Å; G290-I294 PolarHBondContact O-N 3.2Å
291V86.8Confident89.6Confident105 Ų10577.8 Ų77.864%0.63642%0.421SS*.Hα-helixtrans-55.8-29179.3-178.50000112.6A295V291-A295 WeakPolarHBondContact O-CB 3.35Å; V291-A295 PolarHBondContact O-N 3.16Å
292G90.2Very high89.8Confident45 Ų4574.3 Ų74.346%0.46441%0.405SS..Hα-helixtrans-71.4-40.3174.900000113.5G290 A295 K296G290-G292 PolarHBondContact O-N 2.89Å; G292-A295 WeakPolarHBondContact O-CB 3.29Å; G292-A295 PolarHBondContact O-N 3.15Å; G292-K296 WeakPolarHBondContact O-CG 3.34Å; G292-K296 PolarHBondContact O-N 3.44Å; G292-K296 VanDerWaalsContact O-N 3.11Å
293D90.2Very high89.9Confident67 Ų6779 Ų7936%0.35844%0.438SS..Hα-helixtrans-78.2-37.5-177.3-55.5-63.5000111.5F289 G290 A295 K296 E297F289-D293 HydrophobicContact CB-CB 4.38Å; F289-D293 HydrophobicContact CG-CB 4.45Å; G290-D293 PolarHBondContact O-N 3.33Å; D293-A295 PolarHBondContact O-N 3.13Å; D293-K296 WeakPolarHBondContact O-CB 3.39Å; D293-K296 PolarHBondContact O-N 3Å; D293-K296 VanDerWaalsContact O-N 3.11Å; D293-K296 WeakPolarHBondContact OD1-CE 3.33Å; D293-K296 IonicContact OD1-NZ 2.67Å; D293-K296 PolarHBondContact OD1-NZ 3.24Å; D293-E297 PolarHBondContact O-N 3.43Å
294I90.1Very high90Very high5 Ų579.5 Ų79.53%0.02645%0.447CS..Hα-helixtrans-54.6-39.8166-63.3167.6000110.7R279 V282 K283 F289 G290 E297 L298R279-I294 HydrophobicContact CG-CG2 4.24Å; V282-I294 HydrophobicContact CB-CG2 4.26Å; V282-I294 HydrophobicContact CG1-CB 4.42Å; V282-I294 HydrophobicContact CG1-CG1 4.31Å; V282-I294 HydrophobicContact CG1-CG2 3.97Å; K283-I294 HydrophobicContact CB-CD1 3.96Å; K283-I294 HydrophobicContact CG-CD1 4.05Å; F289-I294 HydrophobicContact CB-CD1 4.46Å; F289-I294 HydrophobicContact CB-CG1 3.82Å; F289-I294 WeakPolarHBondContact O-CD1 3.41Å; G290-I294 WeakPolarHBondContact O-CG1 3.38Å; G290-I294 PolarHBondContact O-N 3.2Å; I294-E297 PolarHBondContact O-N 2.98Å; I294-L298 HydrophobicContact CG2-CD1 3.88Å; I294-L298 HydrophobicContact CG2-CG 4.37Å; I294-L298 WeakPolarHBondContact O-CB 3.35Å; I294-L298 WeakPolarHBondContact O-CG 3.28Å; I294-L298 PolarHBondContact O-N 2.95Å
295A91.4Very high90.1Very high43 Ų4377.1 Ų77.136%0.35542%0.424SS..Hα-helixtrans-71-33.1178.500000113.4V291 G292 D293 G299V291-A295 WeakPolarHBondContact O-CB 3.35Å; V291-A295 PolarHBondContact O-N 3.16Å; G292-A295 WeakPolarHBondContact O-CB 3.29Å; G292-A295 PolarHBondContact O-N 3.15Å; D293-A295 PolarHBondContact O-N 3.13Å; A295-G299 PolarHBondContact O-N 3.46Å; A295-G299 VanDerWaalsContact O-N 3.1Å
296K93Very high90.3Very high136 Ų13676.6 Ų76.659%0.59142%0.422SS*.Hα-helixtrans-65.5-45.1172.1-65168.9-167.6163.40110.8G292 D293 G299 R300G292-K296 WeakPolarHBondContact O-CG 3.34Å; G292-K296 PolarHBondContact O-N 3.44Å; G292-K296 VanDerWaalsContact O-N 3.11Å; D293-K296 WeakPolarHBondContact O-CB 3.39Å; D293-K296 PolarHBondContact O-N 3Å; D293-K296 VanDerWaalsContact O-N 3.11Å; D293-K296 WeakPolarHBondContact OD1-CE 3.33Å; D293-K296 IonicContact OD1-NZ 2.67Å; D293-K296 PolarHBondContact OD1-NZ 3.24Å; K296-G299 WeakPolarHBondContact O-CA 3.28Å; K296-G299 PolarHBondContact O-N 2.98Å; K296-G299 VanDerWaalsContact O-N 3.16Å; K296-R300 PolarHBondContact O-N 3.47Å
297E91.3Very high90.7Very high60 Ų6078.7 Ų78.728%0.2844%0.438SS..Hα-helixtrans-64-45.9-179.4-176.358.3-162.400111.7V282 D293 I294 G299 R300 K301V282-E297 HydrophobicContact CG1-CB 4.3Å; V282-E297 HydrophobicContact CG1-CG 3.97Å; D293-E297 PolarHBondContact O-N 3.43Å; I294-E297 PolarHBondContact O-N 2.98Å; E297-G299 VanDerWaalsContact C-N 3.25Å; E297-G299 PolarHBondContact O-N 3.41Å; E297-R300 PolarHBondContact O-N 3.34Å; E297-K301 WeakPolarHBondContact O-CG 3.28Å; E297-K301 PolarHBondContact O-N 3.3Å; E297-K301 WeakPolarHBondContact OE1-CE 3.34Å
298L92.9Very high90.9Very high0 Ų081 Ų810%044%0.44CS..Hα-helixtrans-61-33.9172.2-70169.3000112.7F274 C275 E278 R279 V282 I294 W302F274-L298 HydrophobicContact CE1-CD2 4.29Å; C275-L298 HydrophobicContact CB-CD1 4.32Å; E278-L298 HydrophobicContact CB-CD2 3.36Å; R279-L298 HydrophobicContact CB-CD1 3.96Å; V282-L298 HydrophobicContact CG2-CD2 3.87Å; V282-L298 HydrophobicContact CG2-CG 4.42Å; I294-L298 HydrophobicContact CG2-CD1 3.88Å; I294-L298 HydrophobicContact CG2-CG 4.37Å; I294-L298 WeakPolarHBondContact O-CB 3.35Å; I294-L298 WeakPolarHBondContact O-CG 3.28Å; I294-L298 PolarHBondContact O-N 2.95Å; L298-W302 WeakPolarHBondContact O-CB 3.49Å; L298-W302 PolarHBondContact O-N 2.94Å
299G92.8Very high91Very high26 Ų2675 Ų7527%0.26842%0.416SS..Hα-helixtrans-63.2-42.8174.200000112.7A295 K296 E297 S303A295-G299 PolarHBondContact O-N 3.46Å; A295-G299 VanDerWaalsContact O-N 3.1Å; K296-G299 WeakPolarHBondContact O-CA 3.28Å; K296-G299 PolarHBondContact O-N 2.98Å; K296-G299 VanDerWaalsContact O-N 3.16Å; E297-G299 VanDerWaalsContact C-N 3.25Å; E297-G299 PolarHBondContact O-N 3.41Å; G299-S303 PolarHBondContact O-N 3.16Å
300R92.6Very high91.3Very high174 Ų17474.6 Ų74.666%0.65741%0.414SS*.Hα-helixtrans-64.2-54.4174-69-178.1172.8-153.7-3.8111.1K296 E297 W302 S303 D304K296-R300 PolarHBondContact O-N 3.47Å; E297-R300 PolarHBondContact O-N 3.34Å; R300-W302 PolarHBondContact O-N 3.48Å; R300-S303 WeakPolarHBondContact O-CA 3.47Å; R300-S303 WeakPolarHBondContact O-CB 3.47Å; R300-S303 PolarHBondContact O-N 3.21Å; R300-D304 PolarHBondContact O-N 2.92Å; R300-D304 VanDerWaalsContact O-N 3.1Å
301K90.7Very high91.6Very high71 Ų7179.1 Ų79.131%0.30943%0.425SS..Hα-helixtrans-56.6-28.3179.5-68.2-171.8178.3-165.20113.9F274 V282 E297 V305F274-K301 HydrophobicContact CE1-CB 4.26Å; F274-K301 HydrophobicContact CZ-CB 3.95Å; V282-K301 HydrophobicContact CG2-CD 4.46Å; E297-K301 WeakPolarHBondContact O-CG 3.28Å; E297-K301 PolarHBondContact O-N 3.3Å; E297-K301 WeakPolarHBondContact OE1-CE 3.34Å; K301-V305 WeakPolarHBondContact O-CB 3.3Å; K301-V305 PolarHBondContact O-N 2.95Å; K301-V305 VanDerWaalsContact O-N 3.14Å
302W93.6Very high91.9Very high36 Ų3680.6 Ų80.614%0.13642%0.423CS..Hα-helixtrans-77.6-27.9174.6179.1-104.9000114.2A270 F271 F274 L298 R300 V305 K310 Y313A270-W302 HydrophobicContact CB-CH2 3.7Å; A270-W302 HydrophobicContact CB-CZ2 3.88Å; F271-W302 HydrophobicContact CB-CD2 4.33Å; F271-W302 HydrophobicContact CB-CZ2 4.38Å; F271-W302 HydrophobicContact CD2-CB 3.66Å; F271-W302 AromaticContact CD2-CD1 3.58Å; F271-W302 AromaticContact CD2-CD2 3.85Å; F271-W302 HydrophobicContact CD2-CD2 3.85Å; F271-W302 AromaticContact CD2-CG 3.38Å; F271-W302 HydrophobicContact CD2-CG 3.38Å; F271-W302 HydrophobicContact CE2-CB 3.75Å; F271-W302 AromaticContact CE2-CG 3.99Å; F271-W302 HydrophobicContact CE2-CG 3.99Å; F271-W302 HydrophobicContact CG-CG 4.36Å; F274-W302 HydrophobicContact CB-CE3 3.65Å; F274-W302 HydrophobicContact CB-CZ3 3.65Å; F274-W302 HydrophobicContact CD1-CB 4.08Å; F274-W302 HydrophobicContact CD1-CD2 4.35Å; F274-W302 AromaticContact CD1-CE3 3.68Å; F274-W302 HydrophobicContact CD1-CE3 3.68Å; F274-W302 AromaticContact CD2-CE3 3.93Å; F274-W302 HydrophobicContact CD2-CE3 3.93Å; F274-W302 HydrophobicContact CD2-CZ3 4.2Å; F274-W302 HydrophobicContact CE1-CB 3.9Å; F274-W302 HydrophobicContact CE1-CE3 4.26Å; F274-W302 HydrophobicContact CE2-CE3 4.47Å; F274-W302 AromaticContact CG-CE3 3.48Å; F274-W302 HydrophobicContact CG-CE3 3.48Å; F274-W302 VanDerWaalsContact CG-CE3 3.48Å; F274-W302 AromaticContact CG-CZ3 3.9Å; F274-W302 HydrophobicContact CG-CZ3 3.9Å; L298-W302 WeakPolarHBondContact O-CB 3.49Å; L298-W302 PolarHBondContact O-N 2.94Å; R300-W302 PolarHBondContact O-N 3.48Å; W302-V305 HydrophobicContact CD2-CG1 4.47Å; W302-V305 HydrophobicContact CE3-CG1 3.96Å; W302-V305 HydrophobicContact CZ3-CG1 4.25Å; W302-V305 WeakPolarHBondContact O-CG1 3.44Å; W302-K310 HydrophobicContact CH2-CB 4.43Å; W302-K310 HydrophobicContact CH2-CG 3.59Å; W302-K310 HydrophobicContact CZ2-CD 4.43Å; W302-K310 HydrophobicContact CZ2-CG 3.77Å; W302-K310 HydrophobicContact CZ3-CG 4.22Å; W302-Y313 AromaticContact CZ3-CD2 3.94Å; W302-Y313 HydrophobicContact CZ3-CD2 3.94Å; W302-Y313 HydrophobicContact CZ3-CG 4.26Å
303S92Very high92.1Very high99 Ų9979.3 Ų79.369%0.69241%0.405SS*.Hα-helixtrans-71.3-35.6169.8-67.40000111.4G299 R300G299-S303 PolarHBondContact O-N 3.16Å; R300-S303 WeakPolarHBondContact O-CA 3.47Å; R300-S303 WeakPolarHBondContact O-CB 3.47Å; R300-S303 PolarHBondContact O-N 3.21Å
304D92.3Very high92.2Very high132 Ų13280.6 Ų80.671%0.70641%0.408SS*.SBendtrans-933.8-175-51.9-32.8000113.5R300R300-D304 PolarHBondContact O-N 2.92Å; R300-D304 VanDerWaalsContact O-N 3.1Å
305V91.1Very high92.4Very high30 Ų3083.8 Ų83.818%0.18243%0.431CS..SBendtrans-79.5141.5-177.180.40000112F274 K301 W302 V309 K310F274-V305 HydrophobicContact CE2-CG2 4.26Å; K301-V305 WeakPolarHBondContact O-CB 3.3Å; K301-V305 PolarHBondContact O-N 2.95Å; K301-V305 VanDerWaalsContact O-N 3.14Å; W302-V305 HydrophobicContact CD2-CG1 4.47Å; W302-V305 HydrophobicContact CE3-CG1 3.96Å; W302-V305 HydrophobicContact CZ3-CG1 4.25Å; W302-V305 WeakPolarHBondContact O-CG1 3.44Å; V305-V309 HydrophobicContact CG2-CB 3.91Å; V305-V309 HydrophobicContact CG2-CG1 3.57Å; V305-K310 HydrophobicContact CG1-CB 4.02Å; V305-K310 HydrophobicContact CG1-CG 4.35Å
306D93Very high92.4Very high111 Ų11184.6 Ų84.659%0.59443%0.428SS*.  trans-55.3142.6176.8-68.9-59.7000112.8E308 V309 K310D306-E308 VanDerWaalsContact C-N 3.25Å; D306-E308 PolarHBondContact O-N 3.36Å; D306-V309 HydrophobicContact CB-CB 4.47Å; D306-V309 HydrophobicContact CB-CG2 4.3Å; D306-V309 PolarHBondContact O-N 3.35Å; D306-V309 VanDerWaalsContact O-N 3.16Å; D306-K310 WeakPolarHBondContact O-CB 3.4Å; D306-K310 PolarHBondContact O-N 2.92Å
307P91.5Very high92.5Very high101 Ų10178.8 Ų78.866%0.65641%0.406SS*.Hα-helixtrans-62-30.7-177.324.7-34.1000113K310 Q311P307-K310 WeakPolarHBondContact O-CB 3.41Å; P307-K310 PolarHBondContact O-N 3.37Å; P307-Q311 VanDerWaalsContact O-CB 3.26Å; P307-Q311 WeakPolarHBondContact O-CB 3.4Å; P307-Q311 PolarHBondContact O-N 2.91Å
308E91.3Very high92.6Very high155 Ų15580.7 Ų80.772%0.72441%0.414SS*.Hα-helixtrans-66.9-45.9175.8-175.3179.7-176.100111.9D306 K310 Q311 K312D306-E308 VanDerWaalsContact C-N 3.25Å; D306-E308 PolarHBondContact O-N 3.36Å; E308-K310 VanDerWaalsContact C-N 3.32Å; E308-K310 PolarHBondContact O-N 2.96Å; E308-Q311 PolarHBondContact O-N 3.3Å; E308-K312 PolarHBondContact O-N 2.89Å
309V89.9Confident92.6Very high59 Ų5989.9 Ų89.936%0.35845%0.449SS..Hα-helixtrans-63.6-41.9175.2174.60000110V305 D306 K312 Y313V305-V309 HydrophobicContact CG2-CB 3.91Å; V305-V309 HydrophobicContact CG2-CG1 3.57Å; D306-V309 HydrophobicContact CB-CB 4.47Å; D306-V309 HydrophobicContact CB-CG2 4.3Å; D306-V309 PolarHBondContact O-N 3.35Å; D306-V309 VanDerWaalsContact O-N 3.16Å; V309-K312 WeakPolarHBondContact O-CB 3.36Å; V309-K312 PolarHBondContact O-N 3.46Å; V309-Y313 HydrophobicContact CG1-CD2 4.13Å; V309-Y313 HydrophobicContact CG1-CE2 3.64Å; V309-Y313 WeakPolarHBondContact O-CD2 3.3Å; V309-Y313 PolarHBondContact O-N 3.38Å
310K92.7Very high92.6Very high76 Ų7689.2 Ų89.233%0.3344%0.44SS..Hα-helixtrans-58.6-47.4173.9-163.8178.8178.5174.90112.1W302 V305 D306 P307 E308 K312 Y313 E314W302-K310 HydrophobicContact CH2-CB 4.43Å; W302-K310 HydrophobicContact CH2-CG 3.59Å; W302-K310 HydrophobicContact CZ2-CD 4.43Å; W302-K310 HydrophobicContact CZ2-CG 3.77Å; W302-K310 HydrophobicContact CZ3-CG 4.22Å; V305-K310 HydrophobicContact CG1-CB 4.02Å; V305-K310 HydrophobicContact CG1-CG 4.35Å; D306-K310 WeakPolarHBondContact O-CB 3.4Å; D306-K310 PolarHBondContact O-N 2.92Å; P307-K310 WeakPolarHBondContact O-CB 3.41Å; P307-K310 PolarHBondContact O-N 3.37Å; E308-K310 VanDerWaalsContact C-N 3.32Å; E308-K310 PolarHBondContact O-N 2.96Å; K310-K312 VanDerWaalsContact C-N 3.3Å; K310-K312 PolarHBondContact O-N 3.43Å; K310-Y313 PolarHBondContact O-N 3.35Å; K310-E314 WeakPolarHBondContact CE-OE1 3.5Å; K310-E314 WeakPolarHBondContact O-CG 3.32Å; K310-E314 PolarHBondContact O-N 3.29Å
311Q93.7Very high92.6Very high130 Ų13084.5 Ų84.561%0.60742%0.424SS*.Hα-helixtrans-60.8-36.9179-171.1-18030.500112P307 E308 Y313 E314 S315P307-Q311 VanDerWaalsContact O-CB 3.26Å; P307-Q311 WeakPolarHBondContact O-CB 3.4Å; P307-Q311 PolarHBondContact O-N 2.91Å; E308-Q311 PolarHBondContact O-N 3.3Å; Q311-Y313 PolarHBondContact O-N 2.94Å; Q311-E314 PolarHBondContact O-N 3.35Å; Q311-S315 WeakPolarHBondContact O-CB 3.42Å; Q311-S315 PolarHBondContact O-N 3.5Å
312K93.9Very high92.7Very high137 Ų13783.3 Ų83.360%0.59643%0.427SS*.Hα-helixtrans-58.5-46.1171.7-177.2-175.3176.5-178.30111.8E308 V309 K310 M316E308-K312 PolarHBondContact O-N 2.89Å; V309-K312 WeakPolarHBondContact O-CB 3.36Å; V309-K312 PolarHBondContact O-N 3.46Å; K310-K312 VanDerWaalsContact C-N 3.3Å; K310-K312 PolarHBondContact O-N 3.43Å; K312-M316 HydrophobicContact CG-CE 4.4Å; K312-M316 WeakPolarHBondContact O-CG 3.36Å; K312-M316 PolarHBondContact O-N 2.86Å; K312-M316 VanDerWaalsContact O-N 3.14Å
313Y93.9Very high92.7Very high18 Ų1886.8 Ų86.87%0.07144%0.44CS..Hα-helixtrans-70.5-32.3176.8-67.7-70.7000112.9W273 F274 W302 V309 K310 Q311 M316 A317W273-Y313 HydrophobicContact CB-CD1 3.83Å; F274-Y313 HydrophobicContact CB-CD1 4.17Å; F274-Y313 HydrophobicContact CB-CD2 4.15Å; F274-Y313 HydrophobicContact CB-CE1 4.25Å; F274-Y313 HydrophobicContact CB-CE2 4.23Å; F274-Y313 HydrophobicContact CB-CG 4.14Å; F274-Y313 HydrophobicContact CD2-CD2 4.15Å; F274-Y313 AromaticContact CD2-CE2 3.64Å; F274-Y313 HydrophobicContact CD2-CE2 3.64Å; F274-Y313 AromaticContact CD2-CZ 3.99Å; F274-Y313 HydrophobicContact CG-CE2 4.44Å; W302-Y313 AromaticContact CZ3-CD2 3.94Å; W302-Y313 HydrophobicContact CZ3-CD2 3.94Å; W302-Y313 HydrophobicContact CZ3-CG 4.26Å; V309-Y313 HydrophobicContact CG1-CD2 4.13Å; V309-Y313 HydrophobicContact CG1-CE2 3.64Å; V309-Y313 WeakPolarHBondContact O-CD2 3.3Å; V309-Y313 PolarHBondContact O-N 3.38Å; K310-Y313 PolarHBondContact O-N 3.35Å; Q311-Y313 PolarHBondContact O-N 2.94Å; Y313-M316 HydrophobicContact CD1-CE 3.27Å; Y313-M316 HydrophobicContact CE1-CE 3.64Å; Y313-M316 HydrophobicContact CG-CE 4.09Å; Y313-M316 PolarHBondContact O-N 3.39Å; Y313-A317 WeakPolarHBondContact O-CB 3.41Å; Y313-A317 PolarHBondContact O-N 2.8Å
314E93.6Very high92.7Very high94 Ų9485.1 Ų85.144%0.43942%0.419SS..Hα-helixtrans-67-41.5173.5-71.7174.318000112A270 K310 Q311 M316 A317 E318A270-E314 HydrophobicContact CB-CB 4.34Å; A270-E314 HydrophobicContact CB-CG 3.63Å; K310-E314 WeakPolarHBondContact CE-OE1 3.5Å; K310-E314 WeakPolarHBondContact O-CG 3.32Å; K310-E314 PolarHBondContact O-N 3.29Å; Q311-E314 PolarHBondContact O-N 3.35Å; E314-M316 PolarHBondContact O-N 2.8Å; E314-A317 WeakPolarHBondContact O-CB 3.35Å; E314-A317 PolarHBondContact O-N 3.43Å; E314-A317 VanDerWaalsContact O-N 3.16Å; E314-E318 PolarHBondContact O-N 2.8Å
315S93.6Very high92.6Very high72 Ų7283.6 Ų83.650%0.50341%0.407SS..Hα-helixtrans-60.7-42172.1-177.20000112.2Q311 E318 R319Q311-S315 WeakPolarHBondContact O-CB 3.42Å; Q311-S315 PolarHBondContact O-N 3.5Å; S315-E318 PolarHBondContact O-N 2.77Å; S315-R319 WeakPolarHBondContact O-CG 3.38Å; S315-R319 PolarHBondContact O-N 3.11Å
316M91.7Very high92.4Very high60 Ų6089.4 Ų89.430%0.29643%0.426SS..Hα-helixtrans-65.9-36.8173.7-68.3-170.7-63.200112.6K312 Y313 E314 D320K312-M316 HydrophobicContact CG-CE 4.4Å; K312-M316 WeakPolarHBondContact O-CG 3.36Å; K312-M316 PolarHBondContact O-N 2.86Å; K312-M316 VanDerWaalsContact O-N 3.14Å; Y313-M316 HydrophobicContact CD1-CE 3.27Å; Y313-M316 HydrophobicContact CE1-CE 3.64Å; Y313-M316 HydrophobicContact CG-CE 4.09Å; Y313-M316 PolarHBondContact O-N 3.39Å; E314-M316 PolarHBondContact O-N 2.8Å; M316-D320 WeakPolarHBondContact O-CB 3.42Å; M316-D320 PolarHBondContact O-N 3.01Å
317A93.9Very high92.3Very high14 Ų1487.1 Ų87.112%0.11641%0.412CS..Hα-helixtrans-66.5-40.9175.500000112.5A270 Y313 E314 D320 K321A270-A317 HydrophobicContact CB-CB 4.09Å; A270-A317 VanDerWaalsContact N-CB 3.33Å; Y313-A317 WeakPolarHBondContact O-CB 3.41Å; Y313-A317 PolarHBondContact O-N 2.8Å; E314-A317 WeakPolarHBondContact O-CB 3.35Å; E314-A317 PolarHBondContact O-N 3.43Å; E314-A317 VanDerWaalsContact O-N 3.16Å; A317-D320 PolarHBondContact O-N 2.92Å; A317-K321 WeakPolarHBondContact O-CB 3.24Å; A317-K321 PolarHBondContact O-N 3.46Å
318E93.5Very high92Very high99 Ų9984.4 Ų84.446%0.46339%0.391SS..Hα-helixtrans-69.8-38.1178.9-168.855.7-141.700111.3E314 S315 D320 K321 A322E314-E318 PolarHBondContact O-N 2.8Å; S315-E318 PolarHBondContact O-N 2.77Å; E318-D320 VanDerWaalsContact C-N 3.34Å; E318-D320 PolarHBondContact O-N 2.92Å; E318-K321 PolarHBondContact O-N 3.01Å; E318-K321 IonicContact OE1-NZ 2.74Å; E318-K321 PolarHBondContact OE1-NZ 3.09Å; E318-K321 IonicContact OE2-NZ 2.6Å; E318-K321 PolarHBondContact OE2-NZ 3.49Å; E318-A322 WeakPolarHBondContact O-CB 3.42Å; E318-A322 PolarHBondContact O-N 2.98Å
319R93.4Very high91.7Very high194 Ų19480.8 Ų80.873%0.73238%0.379SS*.Hα-helixtrans-60.7-41.6169.7-71.6174.968.596.90.3112.3S315 A322 R323S315-R319 WeakPolarHBondContact O-CG 3.38Å; S315-R319 PolarHBondContact O-N 3.11Å; R319-A322 PolarHBondContact O-N 2.96Å; R319-R323 PolarHBondContact O-N 3.11Å
320D92.3Very high91.3Very high12 Ų1283.2 Ų83.26%0.06439%0.387CS..Hα-helixtrans-71.5-34178.4-166.263.2000112.4S267 L268 W273 M316 A317 E318 R323 Y324S267-D320 WeakPolarHBondContact CA-OD2 3.46Å; S267-D320 WeakPolarHBondContact CB-OD2 3.32Å; L268-D320 PolarHBondContact N-OD2 3.4Å; W273-D320 HydrophobicContact CZ2-CB 4.01Å; M316-D320 WeakPolarHBondContact O-CB 3.42Å; M316-D320 PolarHBondContact O-N 3.01Å; A317-D320 PolarHBondContact O-N 2.92Å; E318-D320 VanDerWaalsContact C-N 3.34Å; E318-D320 PolarHBondContact O-N 2.92Å; D320-R323 PolarHBondContact O-N 2.7Å; D320-R323 IonicContact OD1-CZ 3.22Å; D320-R323 IonicContact OD1-NE 2.78Å; D320-R323 PolarHBondContact OD1-NE 3.43Å; D320-R323 IonicContact OD1-NH2 2.77Å; D320-R323 PolarHBondContact OD1-NH2 3.37Å; D320-Y324 PolarHBondContact O-N 3.2Å
321K92.8Very high90.7Very high75 Ų7582.4 Ų82.433%0.32638%0.382SS..Hα-helixtrans-62.8-47.9169.5169167.5156.8-97.90111.6A317 E318 R323 Y324 E325A317-K321 WeakPolarHBondContact O-CB 3.24Å; A317-K321 PolarHBondContact O-N 3.46Å; E318-K321 PolarHBondContact O-N 3.01Å; E318-K321 IonicContact OE1-NZ 2.74Å; E318-K321 PolarHBondContact OE1-NZ 3.09Å; E318-K321 IonicContact OE2-NZ 2.6Å; E318-K321 PolarHBondContact OE2-NZ 3.49Å; K321-R323 VanDerWaalsContact C-N 3.28Å; K321-R323 PolarHBondContact O-N 2.97Å; K321-Y324 PolarHBondContact O-N 3.22Å; K321-Y324 VanDerWaalsContact O-N 3.12Å; K321-E325 VanDerWaalsContact CE-OE1 3.26Å; K321-E325 WeakPolarHBondContact CE-OE1 3.35Å; K321-E325 WeakPolarHBondContact CG-OE1 3.24Å; K321-E325 WeakPolarHBondContact O-CB 3.4Å; K321-E325 WeakPolarHBondContact O-CG 3.49Å; K321-E325 PolarHBondContact O-N 3.29Å
322A92.4Very high89.9Confident45 Ų4581.9 Ų81.937%0.37238%0.378SS..Hα-helixtrans-62-34.5175.200000112.8E318 R319 R326E318-A322 WeakPolarHBondContact O-CB 3.42Å; E318-A322 PolarHBondContact O-N 2.98Å; R319-A322 PolarHBondContact O-N 2.96Å; A322-R326 WeakPolarHBondContact O-CB 3.29Å; A322-R326 PolarHBondContact O-N 2.97Å
323R93.9Very high88.9Confident109 Ų10980 Ų8041%0.41138%0.378SS..Hα-helixtrans-64.3-50169.6165.6-96.5-82.9-78.8-3.2111.5R319 D320 K321 E325 R326 E327R319-R323 PolarHBondContact O-N 3.11Å; D320-R323 PolarHBondContact O-N 2.7Å; D320-R323 IonicContact OD1-CZ 3.22Å; D320-R323 IonicContact OD1-NE 2.78Å; D320-R323 PolarHBondContact OD1-NE 3.43Å; D320-R323 IonicContact OD1-NH2 2.77Å; D320-R323 PolarHBondContact OD1-NH2 3.37Å; K321-R323 VanDerWaalsContact C-N 3.28Å; K321-R323 PolarHBondContact O-N 2.97Å; R323-E325 VanDerWaalsContact C-N 3.33Å; R323-E325 PolarHBondContact O-N 3.48Å; R323-R326 PolarHBondContact O-N 3.29Å; R323-E327 WeakPolarHBondContact CD-OE1 3.31Å; R323-E327 HydrophobicContact CG-CG 4.35Å; R323-E327 VanDerWaalsContact CG-OE1 3.23Å; R323-E327 WeakPolarHBondContact CG-OE1 3.49Å; R323-E327 IonicContact NH1-OE1 3.35Å; R323-E327 PolarHBondContact NH1-OE1 3.26Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 2.87Å
324Y91.9Very high87.5Confident65 Ų6583.8 Ų83.826%0.25541%0.407SS..Hα-helixtrans-64.3-38.1-179.1172-106.6000111.9P264 K265 D320 K321 M328P264-Y324 HydrophobicContact CB-CD2 3.98Å; P264-Y324 HydrophobicContact CB-CE2 3.96Å; K265-Y324 WeakPolarHBondContact O-CD2 3.13Å; D320-Y324 PolarHBondContact O-N 3.2Å; K321-Y324 PolarHBondContact O-N 3.22Å; K321-Y324 VanDerWaalsContact O-N 3.12Å; Y324-M328 WeakPolarHBondContact O-CB 3.35Å; Y324-M328 PolarHBondContact O-N 3.36Å
325E89.8Confident85.6Confident99 Ų9981.7 Ų81.746%0.46341%0.411SS..Hα-helixtrans-62.6-44.2175.7-75.5173.9-170.300111.2K321 R323 M328 T329K321-E325 VanDerWaalsContact CE-OE1 3.26Å; K321-E325 WeakPolarHBondContact CE-OE1 3.35Å; K321-E325 WeakPolarHBondContact CG-OE1 3.24Å; K321-E325 WeakPolarHBondContact O-CB 3.4Å; K321-E325 WeakPolarHBondContact O-CG 3.49Å; K321-E325 PolarHBondContact O-N 3.29Å; R323-E325 VanDerWaalsContact C-N 3.33Å; R323-E325 PolarHBondContact O-N 3.48Å; E325-M328 PolarHBondContact O-N 2.99Å; E325-T329 WeakPolarHBondContact O-CG2 3.46Å; E325-T329 PolarHBondContact O-N 3Å; E325-T329 PolarHBondContact O-OG1 3.36Å
326R88.8Confident83.4Confident153 Ų15383.5 Ų83.558%0.57741%0.409SS*.Hα-helixtrans-61.9-55.6174.6-166.9-161.3-44.4176.96.6112.2A322 R323 M328 T329 E330A322-R326 WeakPolarHBondContact O-CB 3.29Å; A322-R326 PolarHBondContact O-N 2.97Å; R323-R326 PolarHBondContact O-N 3.29Å; R326-M328 PolarHBondContact O-N 3.36Å; R326-T329 WeakPolarHBondContact CA-OG1 3.35Å; R326-T329 PolarHBondContact O-N 3.04Å; R326-T329 PolarHBondContact O-OG1 3.31Å; R326-E330 WeakPolarHBondContact CG-OE1 3.34Å; R326-E330 WeakPolarHBondContact O-CG 3.3Å; R326-E330 PolarHBondContact O-N 3.04Å
327E89.6Confident81.3Confident62 Ų6288.3 Ų88.329%0.2944%0.435SS..Hα-helixtrans-56.5-36.1177-70.5175.5-170.600111P264 R323 E330 Y331P264-E327 HydrophobicContact CB-CB 3.79Å; P264-E327 HydrophobicContact CG-CB 3.83Å; P264-E327 VanDerWaalsContact CG-O 3.31Å; P264-E327 WeakPolarHBondContact CG-O 3.48Å; R323-E327 WeakPolarHBondContact CD-OE1 3.31Å; R323-E327 HydrophobicContact CG-CG 4.35Å; R323-E327 VanDerWaalsContact CG-OE1 3.23Å; R323-E327 WeakPolarHBondContact CG-OE1 3.49Å; R323-E327 IonicContact NH1-OE1 3.35Å; R323-E327 PolarHBondContact NH1-OE1 3.26Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 2.87Å; E327-E330 PolarHBondContact O-N 3.46Å; E327-Y331 VanDerWaalsContact O-CB 3.29Å; E327-Y331 WeakPolarHBondContact O-CB 3.49Å; E327-Y331 PolarHBondContact O-N 2.76Å
328M85.8Confident78.9Confident45 Ų4591.3 Ų91.322%0.22246%0.46CS..Hα-helixtrans-76.2-30.9177.1-165.768.4-164.200113P264 Y324 E325 R326 Y331 K332P264-M328 HydrophobicContact CG-SD 4.33Å; Y324-M328 WeakPolarHBondContact O-CB 3.35Å; Y324-M328 PolarHBondContact O-N 3.36Å; E325-M328 PolarHBondContact O-N 2.99Å; R326-M328 PolarHBondContact O-N 3.36Å; M328-Y331 HydrophobicContact CE-CD1 3.98Å; M328-Y331 HydrophobicContact SD-CD1 4.1Å; M328-K332 HydrophobicContact CE-CG 4.19Å; M328-K332 HydrophobicContact CG-CD 4.37Å; M328-K332 VanDerWaalsContact O-CB 3.27Å; M328-K332 WeakPolarHBondContact O-CB 3.39Å; M328-K332 WeakPolarHBondContact O-CD 3.46Å; M328-K332 WeakPolarHBondContact O-CG 3.49Å; M328-K332 PolarHBondContact O-N 3.07Å
329T84.1Confident76.4Confident78 Ų7894.3 Ų94.348%0.47948%0.476SS..Hα-helixtrans-67.8-39.6168.350.90000111.6E325 R326 K332 T333E325-T329 WeakPolarHBondContact O-CG2 3.46Å; E325-T329 PolarHBondContact O-N 3Å; E325-T329 PolarHBondContact O-OG1 3.36Å; R326-T329 WeakPolarHBondContact CA-OG1 3.35Å; R326-T329 PolarHBondContact O-N 3.04Å; R326-T329 PolarHBondContact O-OG1 3.31Å; T329-K332 PolarHBondContact O-N 3.34Å; T329-T333 WeakPolarHBondContact O-CB 3.47Å; T329-T333 PolarHBondContact O-N 3Å; T329-T333 VanDerWaalsContact O-N 3.13Å; T329-T333 PolarHBondContact O-OG1 3.32Å
330E83.1Confident74.1Confident110 Ų11089.5 Ų89.551%0.51447%0.472SS..Hα-helixtrans-63.4-50.8174.4-72.2168.5-155.700109.8R326 E327 K332 T333 S334R326-E330 WeakPolarHBondContact CG-OE1 3.34Å; R326-E330 WeakPolarHBondContact O-CG 3.3Å; R326-E330 PolarHBondContact O-N 3.04Å; E327-E330 PolarHBondContact O-N 3.46Å; E330-K332 PolarHBondContact O-N 3.02Å; E330-T333 CarbonylContact O-C 3.28Å; E330-T333 WeakPolarHBondContact O-CA 3.44Å; E330-T333 PolarHBondContact O-N 3.35Å; E330-S334 PolarHBondContact O-N 2.9Å; E330-S334 PolarHBondContact O-OG 2.91Å
331Y80Confident72.1Confident59 Ų5992.2 Ų92.223%0.23150%0.496CS..Hα-helixtrans-58.8-39.5175.9-174.6-106.7000113.6D260 N262 A263 P264 E327 M328 T333 G335D260-Y331 VanDerWaalsContact CB-OH 3.28Å; D260-Y331 WeakPolarHBondContact CB-OH 3.5Å; D260-Y331 PolarHBondContact OD2-OH 3.47Å; N262-Y331 HydrophobicContact CB-CE2 4.3Å; N262-Y331 WeakPolarHBondContact O-CD2 3.49Å; N262-Y331 WeakPolarHBondContact O-CE2 3.38Å; A263-Y331 HydrophobicContact CB-CE1 4.22Å; A263-Y331 HydrophobicContact CB-CE2 4.4Å; P264-Y331 VanDerWaalsContact CD-CG 3.44Å; P264-Y331 HydrophobicContact CG-CG 4.15Å; E327-Y331 VanDerWaalsContact O-CB 3.29Å; E327-Y331 WeakPolarHBondContact O-CB 3.49Å; E327-Y331 PolarHBondContact O-N 2.76Å; M328-Y331 HydrophobicContact CE-CD1 3.98Å; M328-Y331 HydrophobicContact SD-CD1 4.1Å; Y331-T333 PolarHBondContact O-N 3.33Å; Y331-G335 VanDerWaalsContact O-CA 3.3Å; Y331-G335 WeakPolarHBondContact O-CA 3.4Å; Y331-G335 PolarHBondContact O-N 3.33Å
332K75.8Confident70Confident119 Ų11993.9 Ų93.952%0.51751%0.514SS..Hα-helixtrans-69.3-14.4173.6-75.1167.6-178169.70113.8M328 T329 E330 K336M328-K332 HydrophobicContact CE-CG 4.19Å; M328-K332 HydrophobicContact CG-CD 4.37Å; M328-K332 VanDerWaalsContact O-CB 3.27Å; M328-K332 WeakPolarHBondContact O-CB 3.39Å; M328-K332 WeakPolarHBondContact O-CD 3.46Å; M328-K332 WeakPolarHBondContact O-CG 3.49Å; M328-K332 PolarHBondContact O-N 3.07Å; T329-K332 PolarHBondContact O-N 3.34Å; E330-K332 PolarHBondContact O-N 3.02Å; K332-K336 VanDerWaalsContact O-CD 3.29Å; K332-K336 WeakPolarHBondContact O-CD 3.2Å; K332-K336 VanDerWaalsContact O-CE 3.31Å; K332-K336 WeakPolarHBondContact O-CE 3.25Å; K332-K336 VanDerWaalsContact O-CG 3.31Å; K332-K336 WeakPolarHBondContact O-CG 3.48Å
333T73.1Confident68.2Low99 Ų9995.8 Ų95.861%0.60753%0.525SS*.Hα-helixtrans-105-44.8-177.2-54.90000110.8T329 E330 Y331 K336T329-T333 WeakPolarHBondContact O-CB 3.47Å; T329-T333 PolarHBondContact O-N 3Å; T329-T333 VanDerWaalsContact O-N 3.13Å; T329-T333 PolarHBondContact O-OG1 3.32Å; E330-T333 CarbonylContact O-C 3.28Å; E330-T333 WeakPolarHBondContact O-CA 3.44Å; E330-T333 PolarHBondContact O-N 3.35Å; Y331-T333 PolarHBondContact O-N 3.33Å; T333-K336 PolarHBondContact O-N 2.86Å
334S65.4Low66.2Low97 Ų9796.9 Ų96.968%0.67854%0.536SS*.Hα-helixtrans-72.2-30.5172.1620000112.7E330 K336E330-S334 PolarHBondContact O-N 2.9Å; E330-S334 PolarHBondContact O-OG 2.91Å; S334-K336 PolarHBondContact O-N 3.36Å
335G53.6Low64.3Low49 Ų49100.3 Ų100.351%0.50556%0.555SS.*THydrogen-bonded Turntrans-74.15.6171.200000114.8Y331Y331-G335 VanDerWaalsContact O-CA 3.3Å; Y331-G335 WeakPolarHBondContact O-CA 3.4Å; Y331-G335 PolarHBondContact O-N 3.33Å
336K47.8Very low62.9Low110 Ų11098.3 Ų98.348%0.47856%0.555SS.*  trans-99.966176-80.1177.3-178.9175.90112.8K332 T333 S334K332-K336 VanDerWaalsContact O-CD 3.29Å; K332-K336 WeakPolarHBondContact O-CD 3.2Å; K332-K336 VanDerWaalsContact O-CE 3.31Å; K332-K336 WeakPolarHBondContact O-CE 3.25Å; K332-K336 VanDerWaalsContact O-CG 3.31Å; K332-K336 WeakPolarHBondContact O-CG 3.48Å; T333-K336 PolarHBondContact O-N 2.86Å; S334-K336 PolarHBondContact O-N 3.36Å
337I46.8Very low61.7Low161 Ų16193.8 Ų93.883%0.82655%0.547SS*.SBendtrans-114.6135.1132-65.9-171.4000107
338A42.8Very low60.7Low78 Ų7897.2 Ų97.265%0.64557%0.565SS**SBendtrans7081.8-17200000116.9
339M41.5Very low59.8Low162 Ų162100.7 Ų100.780%0.79858%0.58SS**SBendtrans136.4123.8130.1-67.6-58.6142.200115.8
340S44.8Very low59.2Low92 Ų9299.5 Ų99.564%0.64358%0.578SS**  trans6265.7165.2600000119.1
341A51.4Low58.6Low69 Ų69101.1 Ų101.157%0.5759%0.586SS**  trans-74.8-35.1167.500000116.8S343A341-S343 PolarHBondContact O-N 2.86Å
342P48.5Very low58.4Low111 Ų111101.2 Ų101.272%0.72160%0.599SS**Hα-helixtrans-69-27.8-166.1-2534.8000117.2
343S54.4Low58.4Low85 Ų85102.2 Ų102.259%0.59461%0.606SS**Hα-helixtrans-81.7-23.6-162.672.10000115.5A341 S347A341-S343 PolarHBondContact O-N 2.86Å; S343-S347 PolarHBondContact O-N 3.4Å; S343-S347 PolarHBondContact O-OG 3.41Å
344M51Low58.7Low132 Ų132105 Ų10565%0.6561%0.609SS**Hα-helixtrans-83-32.4-174.4-120.2-174.7-73.200113.2S347 M348M344-S347 WeakPolarHBondContact CA-OG 3.43Å; M344-S347 PolarHBondContact O-N 2.74Å; M344-S347 PolarHBondContact O-OG 3.35Å; M344-M348 PolarHBondContact O-N 2.88Å
345Q52.4Low59.2Low137 Ų137103.3 Ų103.364%0.6460%0.601SS**Hα-helixtrans-70.8-40.3179.1-165.1163.3-1.800110.9M348 Q349Q345-M348 PolarHBondContact O-N 2.83Å; Q345-Q349 PolarHBondContact O-N 3.33Å; Q345-Q349 VanDerWaalsContact O-N 3.09Å
346A60.6Low60.5Low57 Ų57103.9 Ų103.947%0.47160%0.601SS.*Hα-helixtrans-60.8-42.2172.400000112.9M348 A350A346-M348 VanDerWaalsContact C-N 3.35Å; A346-M348 PolarHBondContact O-N 2.92Å; A346-A350 WeakPolarHBondContact O-CB 3.44Å; A346-A350 PolarHBondContact O-N 2.95Å
347S63.3Low61.9Low58 Ų58105 Ų10541%0.40661%0.612SS.*Hα-helixtrans-66.8-34.9178.455.10000113.3S343 M344 Q351S343-S347 PolarHBondContact O-N 3.4Å; S343-S347 PolarHBondContact O-OG 3.41Å; M344-S347 WeakPolarHBondContact CA-OG 3.43Å; M344-S347 PolarHBondContact O-N 2.74Å; M344-S347 PolarHBondContact O-OG 3.35Å; S347-Q351 PolarHBondContact O-N 3.47Å; S347-Q351 VanDerWaalsContact O-N 3.07Å
348M69.1Low63.5Low134 Ų134103.5 Ų103.566%0.6661%0.605SS**Hα-helixtrans-73.5-40.4-179.7-161.7172.274.800111.5M344 Q345 A346 Q351 A352M344-M348 PolarHBondContact O-N 2.88Å; Q345-M348 PolarHBondContact O-N 2.83Å; A346-M348 VanDerWaalsContact C-N 3.35Å; A346-M348 PolarHBondContact O-N 2.92Å; M348-Q351 PolarHBondContact O-N 3.4Å; M348-A352 PolarHBondContact O-N 3.41Å
349Q67.4Low65.2Low118 Ų118102.4 Ų102.455%0.55160%0.596SS**Hα-helixtrans-63.6-41.6172.1-75.4177.4-39.600112.1Q345 Q351 A352 Q353Q345-Q349 PolarHBondContact O-N 3.33Å; Q345-Q349 VanDerWaalsContact O-N 3.09Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q349-Q351 PolarHBondContact O-N 3.48Å; Q349-A352 PolarHBondContact O-N 2.96Å; Q349-Q353 WeakPolarHBondContact O-CG 3.45Å; Q349-Q353 PolarHBondContact O-N 3.34Å
350A69.5Low66.8Low53 Ų5396.7 Ų96.744%0.43857%0.574SS.*Hα-helixtrans-64-36176.500000113A346 K354A346-A350 WeakPolarHBondContact O-CB 3.44Å; A346-A350 PolarHBondContact O-N 2.95Å; A350-K354 WeakPolarHBondContact O-CB 3.48Å; A350-K354 PolarHBondContact O-N 3.48Å; A350-K354 VanDerWaalsContact O-N 3.08Å
351Q72.3Confident68.3Low143 Ų14394.5 Ų94.567%0.66856%0.562SS**Hα-helixtrans-69.2-41.1173.1-82.3-175.7-62.600112.4S347 M348 Q349 K354 A355S347-Q351 PolarHBondContact O-N 3.47Å; S347-Q351 VanDerWaalsContact O-N 3.07Å; M348-Q351 PolarHBondContact O-N 3.4Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q349-Q351 PolarHBondContact O-N 3.48Å; Q351-K354 PolarHBondContact O-N 3.02Å; Q351-A355 PolarHBondContact O-N 3.33Å
352A74.4Confident69.5Low62 Ų6293.9 Ų93.951%0.51256%0.556SS.*Hα-helixtrans-62.5-44.8176.200000112.1M348 Q349 K354 A355 A356M348-A352 PolarHBondContact O-N 3.41Å; Q349-A352 PolarHBondContact O-N 2.96Å; A352-K354 PolarHBondContact O-N 3.02Å; A352-A355 PolarHBondContact O-N 2.97Å; A352-A356 PolarHBondContact O-N 2.88Å
353Q76.7Confident70.7Confident140 Ų14095 Ų9565%0.65455%0.552SS**Hα-helixtrans-61-42175-73.9173.8-2100112.1Q349 A355 A356 L357Q349-Q353 WeakPolarHBondContact O-CG 3.45Å; Q349-Q353 PolarHBondContact O-N 3.34Å; Q353-A355 PolarHBondContact O-N 3.24Å; Q353-A356 PolarHBondContact O-N 3.26Å; Q353-L357 WeakPolarHBondContact O-CB 3.38Å; Q353-L357 PolarHBondContact O-N 3.49Å
354K78.2Confident71.6Confident156 Ų15696.7 Ų96.768%0.67855%0.551SS**Hα-helixtrans-65.4-37.7176.9-173175.7179.9-1790112.6A350 Q351 A352 L358A350-K354 WeakPolarHBondContact O-CB 3.48Å; A350-K354 PolarHBondContact O-N 3.48Å; A350-K354 VanDerWaalsContact O-N 3.08Å; Q351-K354 PolarHBondContact O-N 3.02Å; A352-K354 PolarHBondContact O-N 3.02Å; K354-L358 PolarHBondContact O-N 3.38Å; K354-L358 VanDerWaalsContact O-N 3.13Å
355A77.3Confident72.4Confident63 Ų6396.9 Ų96.952%0.52155%0.55SS.*Hα-helixtrans-66.8-43.5176.100000111.7Q351 A352 Q353 L358 A359Q351-A355 PolarHBondContact O-N 3.33Å; A352-A355 PolarHBondContact O-N 2.97Å; Q353-A355 PolarHBondContact O-N 3.24Å; A355-L358 PolarHBondContact O-N 3.49Å; A355-A359 PolarHBondContact O-N 2.87Å
356A80Confident72.9Confident61 Ų6195.8 Ų95.850%0.50455%0.545SS..Hα-helixtrans-61.9-42.8175.700000112.4A352 Q353 L358 A359 A360A352-A356 PolarHBondContact O-N 2.88Å; Q353-A356 PolarHBondContact O-N 3.26Å; A356-L358 VanDerWaalsContact C-N 3.33Å; A356-L358 PolarHBondContact O-N 2.92Å; A356-A359 PolarHBondContact O-N 3.48Å; A356-A360 PolarHBondContact O-N 2.96Å
357L77.6Confident73.2Confident133 Ų13399.4 Ų99.470%0.69655%0.552SS**Hα-helixtrans-63.4-38.5176.7-165.677.7000112.2Q353 A360 A361Q353-L357 WeakPolarHBondContact O-CB 3.38Å; Q353-L357 PolarHBondContact O-N 3.49Å; L357-A360 PolarHBondContact O-N 3.4Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 2.9Å
358L79.6Confident73.1Confident129 Ų129102.9 Ų102.968%0.67556%0.562SS**Hα-helixtrans-68.7-37.2177.6-155.380.1000111.9K354 A355 A356 A362K354-L358 PolarHBondContact O-N 3.38Å; K354-L358 VanDerWaalsContact O-N 3.13Å; A355-L358 PolarHBondContact O-N 3.49Å; A356-L358 VanDerWaalsContact C-N 3.33Å; A356-L358 PolarHBondContact O-N 2.92Å; L358-A362 PolarHBondContact O-N 3.39Å; L358-A362 VanDerWaalsContact O-N 3.12Å
359A78.6Confident72.4Confident55 Ų55102.6 Ų102.646%0.45556%0.562SS.*Hα-helixtrans-66.8-42.417500000112.1A355 A356 A362 Q363A355-A359 PolarHBondContact O-N 2.87Å; A356-A359 PolarHBondContact O-N 3.48Å; A359-A362 PolarHBondContact O-N 2.94Å; A359-Q363 WeakPolarHBondContact O-CG 3.4Å; A359-Q363 PolarHBondContact O-N 3.35Å; A359-Q363 VanDerWaalsContact O-N 3.1Å
360A76.6Confident71.9Confident42 Ų42103 Ų10335%0.34756%0.564SS.*Hα-helixtrans-63.7-40.1175.500000112.3A356 L357 A362 Q363 Q364A356-A360 PolarHBondContact O-N 2.96Å; L357-A360 PolarHBondContact O-N 3.4Å; A360-A362 VanDerWaalsContact C-N 3.34Å; A360-A362 PolarHBondContact O-N 2.94Å; A360-Q363 PolarHBondContact O-N 2.89Å; A360-Q364 PolarHBondContact O-N 3.46Å; A360-Q364 VanDerWaalsContact O-N 3.11Å
361A76.1Confident71.2Confident46 Ų46108.9 Ų108.938%0.3858%0.582SS.*Hα-helixtrans-64.4-36.6175.300000112.7L357 Q364 Q365L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 2.9Å; A361-Q364 PolarHBondContact O-N 3.32Å; A361-Q365 PolarHBondContact O-N 2.99Å
362A75.2Confident70.1Confident56 Ų56109.9 Ų109.946%0.46359%0.587SS.*Hα-helixtrans-67.3-36.4174.900000112.5L358 A359 A360 Q365 H366L358-A362 PolarHBondContact O-N 3.39Å; L358-A362 VanDerWaalsContact O-N 3.12Å; A359-A362 PolarHBondContact O-N 2.94Å; A360-A362 VanDerWaalsContact C-N 3.34Å; A360-A362 PolarHBondContact O-N 2.94Å; A362-Q365 PolarHBondContact O-N 2.91Å; A362-H366 PolarHBondContact O-N 3.1Å; A362-H366 VanDerWaalsContact O-N 3.16Å
363Q75Confident68.9Low134 Ų134114.9 Ų114.963%0.62660%0.599SS**Hα-helixtrans-65.5-40.7174.6-72.3173.6-25.600112.2A359 A360 Q365 H366 Q367A359-Q363 WeakPolarHBondContact O-CG 3.4Å; A359-Q363 PolarHBondContact O-N 3.35Å; A359-Q363 VanDerWaalsContact O-N 3.1Å; A360-Q363 PolarHBondContact O-N 2.89Å; Q363-Q365 VanDerWaalsContact C-N 3.34Å; Q363-Q365 PolarHBondContact O-N 3.29Å; Q363-H366 PolarHBondContact O-N 3.32Å; Q363-Q367 PolarHBondContact O-N 3.39Å; Q363-Q367 VanDerWaalsContact O-N 3.11Å
364Q72.6Confident67.6Low122 Ų122115.4 Ų115.457%0.5761%0.607SS**Hα-helixtrans-63.7-37.1175.6-72.2179.6-13.300112.7A360 A361 H366 Q368A360-Q364 PolarHBondContact O-N 3.46Å; A360-Q364 VanDerWaalsContact O-N 3.11Å; A361-Q364 PolarHBondContact O-N 3.32Å; Q364-H366 VanDerWaalsContact C-N 3.32Å; Q364-Q368 WeakPolarHBondContact O-CG 3.4Å; Q364-Q368 PolarHBondContact O-N 2.91Å; Q364-Q368 VanDerWaalsContact O-N 3.16Å
365Q66.9Low66.2Low136 Ų136116.1 Ų116.164%0.63662%0.618SS**Hα-helixtrans-68.1-30.5174.1-73.4-172.9-28.900112.9A361 A362 Q363 L369A361-Q365 PolarHBondContact O-N 2.99Å; A362-Q365 PolarHBondContact O-N 2.91Å; Q363-Q365 VanDerWaalsContact C-N 3.34Å; Q363-Q365 PolarHBondContact O-N 3.29Å; Q365-L369 WeakPolarHBondContact O-CD1 3.31Å; Q365-L369 WeakPolarHBondContact O-CG 3.15Å; Q365-L369 PolarHBondContact O-N 3.42Å
366H64.8Low64.8Low114 Ų114120.8 Ų120.853%0.52863%0.634SS.*Hα-helixtrans-70.8-44.6176.2-166.611.4000111.6A362 Q363 Q364 Q368 L369 E370A362-H366 PolarHBondContact O-N 3.1Å; A362-H366 VanDerWaalsContact O-N 3.16Å; Q363-H366 PolarHBondContact O-N 3.32Å; Q364-H366 VanDerWaalsContact C-N 3.32Å; H366-Q368 PolarHBondContact O-N 3.04Å; H366-L369 PolarHBondContact O-N 2.77Å; H366-L369 VanDerWaalsContact O-N 3.13Å; H366-E370 IonicContact CE1-OE1 3.92Å; H366-E370 PolarHBondContact O-N 3.26Å
367Q66Low63.2Low133 Ų133126.2 Ų126.262%0.62166%0.655SS**Hα-helixtrans-61.1-41.1175.7-79.4-177.8-45.300112.6Q363 L369 E370 E371Q363-Q367 PolarHBondContact O-N 3.39Å; Q363-Q367 VanDerWaalsContact O-N 3.11Å; Q367-L369 PolarHBondContact O-N 2.92Å; Q367-E370 PolarHBondContact O-N 3.27Å; Q367-E371 PolarHBondContact O-N 3.44Å; Q367-E371 VanDerWaalsContact O-N 3.15Å
368Q60.8Low61.5Low131 Ų131123.6 Ų123.661%0.61266%0.66SS**Hα-helixtrans-67.2-14.5176.9-72.4174.510.900114.4Q364 H366Q364-Q368 WeakPolarHBondContact O-CG 3.4Å; Q364-Q368 PolarHBondContact O-N 2.91Å; Q364-Q368 VanDerWaalsContact O-N 3.16Å; H366-Q368 PolarHBondContact O-N 3.04Å
369L54.1Low59.8Low127 Ų127125.4 Ų125.467%0.66567%0.67SS**Hα-helixtrans-94.4-21.6174.6-74.1166.9000112.8Q365 H366 Q367Q365-L369 WeakPolarHBondContact O-CD1 3.31Å; Q365-L369 WeakPolarHBondContact O-CG 3.15Å; Q365-L369 PolarHBondContact O-N 3.42Å; H366-L369 PolarHBondContact O-N 2.77Å; H366-L369 VanDerWaalsContact O-N 3.13Å; Q367-L369 PolarHBondContact O-N 2.92Å
370E56.9Low58Low127 Ų127125.6 Ų125.659%0.59368%0.678SS**Hα-helixtrans-80.3-31.3171.9-68-177.2149.300111.3H366 Q367 Q372H366-E370 IonicContact CE1-OE1 3.92Å; H366-E370 PolarHBondContact O-N 3.26Å; Q367-E370 PolarHBondContact O-N 3.27Å; E370-Q372 PolarHBondContact O-N 3.28Å
371E56.5Low56.5Low176 Ų176130.6 Ų130.682%0.82270%0.698SS**THydrogen-bonded Turntrans-76.715.4-179.4-136.7172.3-155.800114.6Q367Q367-E371 PolarHBondContact O-N 3.44Å; Q367-E371 VanDerWaalsContact O-N 3.15Å
372Q49.1Very low55.2Low165 Ų165135.7 Ų135.777%0.77172%0.719SS**THydrogen-bonded Turntrans-131.822.7-173.7-164.2159.893.900113.4E370E370-Q372 PolarHBondContact O-N 3.28Å
373H48.6Very low54Low166 Ų166140.6 Ų140.677%0.76974%0.738SS**SBendtrans-137.328.5-178.7-163.946.4000115.6
374D50.1Low53Low151 Ų151143.1 Ų143.181%0.80775%0.75SS**  trans-128.6103.9166.3-73.8-54.4000108.2
375D47.6Very low51.6Low172 Ų172143.3 Ų143.392%0.9275%0.754SS**  trans16665.9160.9-89.8-21.7000110.5
376D48.3Very low50.6Low161 Ų161148.7 Ų148.786%0.86178%0.78SS**  trans-160.969.6157.4-159.341.2000111.3
377D46.8Very low49.9Very low175 Ų175150.5 Ų150.594%0.93679%0.792SS**  trans-137.6120.3171.4-104-38000110.4
378G42Very low49.1Very low77 Ų77151.4 Ų151.479%0.79480%0.801SS**  trans98.5141.5172.400000115.5
379D42.7Very low48.4Very low168 Ų168152.5 Ų152.590%0.89881%0.812SS**  cis-165.9163.8-4.3-159.3-7.2000107.7
380G42Very low48.1Very low59 Ų59154 Ų15461%0.60882%0.82SS**  trans156.279.2171.600000119.1
381D44.2Very low47.5Very low147 Ų147155.7 Ų155.779%0.78684%0.835SS**  trans58105.4134.3-54.6-24.9000121.3
382D49.9Very low46.9Very low152 Ų152154.3 Ų154.381%0.81384%0.835SS**  44.3133.4113.9-71.8-11.9000122.8
383D48.9Very low46.8Very low160 Ų160153.6 Ų153.686%0.85684%0.84SS**  trans-12.4124.9153.2-78.1-50.5000118.2
384E53.9Low46.6Very low187 Ų187152.6 Ų152.687%0.87485%0.845SS**  -162.6140.8119.5-122.2-174.9-171.200115.5
385N42.9Very low46.3Very low126 Ų126152.8 Ų152.867%0.67485%0.849SS**  trans96.6109.5141.5-149.911.4000121.6
386Q46.8Very low46.2Very low249 Ų249151 Ų151100%1.16484%0.842SS**  trans78.60156.2-85.7164.285.700120.8

Retrieved 386 of 386 residues in 195.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).