A0A3Q0KPX4_SCHMA Loading...

Putative tpx2 protein

AlphaFold DB , UniProt , Accession A0A3Q0KPX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 aa.

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

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
1M51.7Low55.3Low247 Ų247171.3 Ų171.3100%1.21786%0.861SS**  0118.30-78.9-172.1151.400109.2A3M1-A3 PolarHBondContact O-N 3.26Å
2R46.5Very low54.7Low253 Ų253164.9 Ų164.996%0.95584%0.844SS**  trans-73.7117.2-177.2-108.1175.6173175.7-2.7109.9K4R2-K4 PolarHBondContact O-N 3.13Å
3A55.7Low54.2Low96 Ų96162.2 Ų162.279%0.79385%0.846SS**  trans-67.9120.6172.900000109.7M1 R5M1-A3 PolarHBondContact O-N 3.26Å; A3-R5 PolarHBondContact O-N 3.47Å
4K62.8Low53.9Low195 Ų195160.4 Ų160.485%0.84884%0.839SS**  trans-64.9110172.9-67.8-178.8177-177.70108.2R2 H6R2-K4 PolarHBondContact O-N 3.13Å; K4-H6 PolarHBondContact O-N 3.23Å
5R57.6Low53.6Low242 Ų242156.4 Ų156.491%0.91383%0.829SS**PPolyproline II helixtrans-71.6120170.3-70.7-177.7176.2-175.9-2.2107.6A3A3-R5 PolarHBondContact O-N 3.47Å
6H54.2Low53.3Low173 Ų173156.3 Ų156.380%0.80183%0.829SS**PPolyproline II helixtrans-70.5141.3173.9-76.3-82.3000109.9K4 S8K4-H6 PolarHBondContact O-N 3.23Å; H6-S8 PolarHBondContact O-N 2.94Å
7P60.4Low52.9Low118 Ų118158.7 Ų158.777%0.76683%0.834SS**PPolyproline II helixtrans-66.6128-17726.4-32.4000110.7V9P7-V9 PolarHBondContact O-N 2.94Å
8S62.5Low52.5Low110 Ų110159.1 Ų159.177%0.76984%0.837SS**PPolyproline II helixtrans-59.4121.6170.1179.40000109.2H6 M10H6-S8 PolarHBondContact O-N 2.94Å; S8-M10 PolarHBondContact O-N 3.03Å
9V54.9Low52.6Low124 Ų124154.4 Ų154.475%0.75282%0.818SS**  trans-66.6114.7173.1-173.20000107.4P7 L11P7-V9 PolarHBondContact O-N 2.94Å; V9-L11 PolarHBondContact O-N 3.41Å
10M51Low52.7Low178 Ų178155.4 Ų155.488%0.87782%0.824SS**  trans-66.9110.3172-68.1-86.6-104.700107.5S8 S12S8-M10 PolarHBondContact O-N 3.03Å; M10-S12 PolarHBondContact O-N 3.12Å
11L50.6Low53Low148 Ų148155.6 Ų155.678%0.77582%0.818SS**  trans-71.7123.7164.4-93.990.8000108V9V9-L11 PolarHBondContact O-N 3.41Å
12S48Very low53.5Low95 Ų95152.8 Ų152.866%0.66480%0.802SS**  trans-60.5124.5171.243.20000110.5M10 D14M10-S12 PolarHBondContact O-N 3.12Å; S12-D14 PolarHBondContact O-N 3.24Å
13C48.5Very low54.5Low129 Ų129148.8 Ų148.887%0.87280%0.8SS**  trans-85.696.8165.3-62.80000107.3S15C13-S15 PolarHBondContact O-N 3.12Å
14D50.3Low55.3Low138 Ų138148.2 Ų148.274%0.73879%0.789SS**  trans-80.2113.2167.5-70.4-40.7000109.2S12S12-D14 PolarHBondContact O-N 3.24Å
15S49.1Very low56.3Low100 Ų100145.2 Ų145.270%0.69979%0.787SS**  trans54.499.8136.8-53.60000120C13C13-S15 PolarHBondContact O-N 3.12Å
16D48.4Very low57.4Low154 Ų154141 Ų14182%0.82478%0.777SS**  29.8100.4122.8-55-36.4000117.8
17H46.5Very low58.9Low198 Ų198138.4 Ų138.492%0.91778%0.776SS**  trans-145111.5137.6-108.9-26.4000111.9S19H17-S19 PolarHBondContact O-N 3.21Å
18D46Very low59.9Low166 Ų166141.3 Ų141.389%0.88878%0.776SS**  trans-54.8108.3173.9-152.4-1000111.3
19S53.9Low61Low69 Ų69141.6 Ų141.648%0.48378%0.775SS.*  trans-155.7123.1154.962.60000109.7H17 K21H17-S19 PolarHBondContact O-N 3.21Å; S19-K21 VanDerWaalsContact C-N 3.25Å; S19-K21 PolarHBondContact O-N 2.69Å; S19-K21 WeakPolarHBondContact OG-CE 3.46Å
20N54.9Low62.4Low174 Ų174143.3 Ų143.393%0.9377%0.773SS**  trans-60.274.5-175.8-155.5-2.1000111.9
21K59.4Low64.1Low161 Ų161138.4 Ų138.470%0.776%0.756SS**  trans-113.8119.3-178.2-67.6-179.1-175.4174.90108.6S19 N23S19-K21 VanDerWaalsContact C-N 3.25Å; S19-K21 PolarHBondContact O-N 2.69Å; S19-K21 WeakPolarHBondContact OG-CE 3.46Å; K21-N23 PolarHBondContact O-N 3.28Å
22E63.2Low66Low187 Ų187136.9 Ų136.987%0.87474%0.743SS**  trans-24.4123.1173.3-62.4171.8175.800112.6C24E22-C24 PolarHBondContact O-N 3.23Å
23N67Low68.1Low170 Ų170138.5 Ų138.591%0.90974%0.741SS**  trans-64.867.6179.7-71.9-13.9000111.4K21 T25K21-N23 PolarHBondContact O-N 3.28Å; N23-T25 PolarHBondContact O-N 3.2Å
24C72.8Confident70.2Confident84 Ų84139 Ų13957%0.56874%0.735SS**  trans-83.2106.3169.6-167.50000107.5E22 H26E22-C24 PolarHBondContact O-N 3.23Å; C24-H26 PolarHBondContact O-N 3.08Å
25T83.6Confident72.2Confident132 Ų132140.5 Ų140.581%0.8173%0.73SS**  trans-70.698.1172.8-58.50000108.2N23 P27N23-T25 PolarHBondContact O-N 3.2Å; T25-P27 WeakPolarHBondContact O-CD 3.48Å
26H80.6Confident74.4Confident153 Ų153141.4 Ų141.471%0.70872%0.723SS**  trans-67.8121173.2-66.3-67.2000109.2C24 K28C24-H26 PolarHBondContact O-N 3.08Å; H26-K28 PolarHBondContact O-N 3.47Å
27P85.2Confident76.6Confident118 Ų118139.3 Ų139.377%0.76671%0.712SS**  trans-64.8113.317926.2-32.7000108.7T25 P29T25-P27 WeakPolarHBondContact O-CD 3.48Å; P27-P29 WeakPolarHBondContact O-CD 3.4Å
28K81.7Confident79Confident179 Ų179133.3 Ų133.378%0.77869%0.692SS**PPolyproline II helixtrans-65.5121.3170.3-174.7174.4-178.11750107.5H26 F30H26-K28 PolarHBondContact O-N 3.47Å; K28-F30 PolarHBondContact O-N 3.42Å
29P84.8Confident81.4Confident116 Ų116129.8 Ų129.875%0.75367%0.672SS**PPolyproline II helixtrans-59.4126.8175.624.3-32.1000108.7P27P27-P29 WeakPolarHBondContact O-CD 3.4Å
30F84.6Confident83.4Confident161 Ų161130.3 Ų130.371%0.70667%0.669SS**PPolyproline II helixtrans-86.8130.817557.9-82.8000108.5K28 F32K28-F30 PolarHBondContact O-N 3.42Å; F30-F32 HydrophobicContact CD2-CD2 4.39Å; F30-F32 HydrophobicContact CD2-CE1 4.31Å; F30-F32 AromaticContact CD2-CE2 3.72Å; F30-F32 HydrophobicContact CD2-CE2 3.72Å; F30-F32 AromaticContact CD2-CZ 3.68Å; F30-F32 HydrophobicContact CD2-CZ 3.68Å; F30-F32 HydrophobicContact CE2-CD2 4.38Å; F30-F32 HydrophobicContact CE2-CE1 4.41Å; F30-F32 AromaticContact CE2-CE2 3.37Å; F30-F32 HydrophobicContact CE2-CE2 3.37Å; F30-F32 AromaticContact CE2-CZ 3.39Å; F30-F32 HydrophobicContact CE2-CZ 3.39Å
31S86.6Confident85.4Confident74 Ų74128.4 Ų128.452%0.51765%0.652SS.*PPolyproline II helixtrans-102.5145.4172178.80000110E33S31-E33 WeakPolarHBondContact OG-CB 3.27Å; S31-E33 VanDerWaalsContact OG-CD 3.23Å; S31-E33 VanDerWaalsContact OG-CG 3.23Å; S31-E33 WeakPolarHBondContact OG-CG 3.38Å; S31-E33 PolarHBondContact OG-N 3.4Å; S31-E33 PolarHBondContact OG-OE1 3.14Å
32F91Very high87.2Confident116 Ų116127.6 Ų127.651%0.50965%0.645SS.*  trans-98.4-0.3174.1-68.1-72000113.1F30 D34 R35 E36F30-F32 HydrophobicContact CD2-CD2 4.39Å; F30-F32 HydrophobicContact CD2-CE1 4.31Å; F30-F32 AromaticContact CD2-CE2 3.72Å; F30-F32 HydrophobicContact CD2-CE2 3.72Å; F30-F32 AromaticContact CD2-CZ 3.68Å; F30-F32 HydrophobicContact CD2-CZ 3.68Å; F30-F32 HydrophobicContact CE2-CD2 4.38Å; F30-F32 HydrophobicContact CE2-CE1 4.41Å; F30-F32 AromaticContact CE2-CE2 3.37Å; F30-F32 HydrophobicContact CE2-CE2 3.37Å; F30-F32 AromaticContact CE2-CZ 3.39Å; F30-F32 HydrophobicContact CE2-CZ 3.39Å; F32-D34 VanDerWaalsContact C-N 3.31Å; F32-D34 PolarHBondContact O-N 3.03Å; F32-R35 WeakPolarHBondContact O-CA 3.31Å; F32-R35 WeakPolarHBondContact O-CB 3.13Å; F32-R35 PolarHBondContact O-N 3.16Å; F32-E36 WeakPolarHBondContact O-CB 3.31Å; F32-E36 PolarHBondContact O-N 3.34Å
33E92Very high88.8Confident130 Ų130127.1 Ų127.161%0.60764%0.635SS**Hα-helixtrans-52.6-48.2-173.2-74.6162.4-126.500111.9S31 R35 E36 L37S31-E33 WeakPolarHBondContact OG-CB 3.27Å; S31-E33 VanDerWaalsContact OG-CD 3.23Å; S31-E33 VanDerWaalsContact OG-CG 3.23Å; S31-E33 WeakPolarHBondContact OG-CG 3.38Å; S31-E33 PolarHBondContact OG-N 3.4Å; S31-E33 PolarHBondContact OG-OE1 3.14Å; E33-R35 VanDerWaalsContact C-N 3.31Å; E33-R35 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.31Å; E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 VanDerWaalsContact O-CG 3.25Å; E33-L37 WeakPolarHBondContact O-CG 3.32Å; E33-L37 PolarHBondContact O-N 2.77Å
34D91.6Very high90.3Very high139 Ų139123.1 Ų123.174%0.74361%0.614SS**Hα-helixtrans-61.4-39.8179.1-68.4-22.5000112.7F32 S38F32-D34 VanDerWaalsContact C-N 3.31Å; F32-D34 PolarHBondContact O-N 3.03Å; D34-S38 WeakPolarHBondContact O-CB 3.5Å; D34-S38 PolarHBondContact O-N 3.49Å; D34-S38 VanDerWaalsContact O-N 3.07Å
35R92.7Very high91.5Very high169 Ų169123.5 Ų123.564%0.63861%0.607SS**Hα-helixtrans-69-41.9178.3-175-178.9179.8-137.31.5110.6F32 E33 S38 L39F32-R35 WeakPolarHBondContact O-CA 3.31Å; F32-R35 WeakPolarHBondContact O-CB 3.13Å; F32-R35 PolarHBondContact O-N 3.16Å; E33-R35 VanDerWaalsContact C-N 3.31Å; E33-R35 PolarHBondContact O-N 3.33Å; R35-S38 PolarHBondContact O-N 3.1Å; R35-L39 HydrophobicContact CG-CD1 4.46Å; R35-L39 WeakPolarHBondContact O-CG 3.39Å; R35-L39 PolarHBondContact O-N 3.49Å
36E95.5Very high92.1Very high119 Ų119125.2 Ų125.256%0.55660%0.599SS**Hα-helixtrans-66-46.7179.4-175.4162.8-152.600111.3F32 E33 S38 L39 I40F32-E36 WeakPolarHBondContact O-CB 3.31Å; F32-E36 PolarHBondContact O-N 3.34Å; E33-E36 PolarHBondContact O-N 3.31Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 2.99Å; E36-L39 WeakPolarHBondContact O-CB 3.26Å; E36-L39 PolarHBondContact O-N 3.28Å; E36-L39 VanDerWaalsContact O-N 3.11Å; E36-I40 HydrophobicContact CG-CD1 3.95Å; E36-I40 VanDerWaalsContact O-CG1 3.31Å; E36-I40 WeakPolarHBondContact O-CG1 3.43Å; E36-I40 PolarHBondContact O-N 2.88Å
37L95.7Very high92.9Very high111 Ų111121.7 Ų121.758%0.58158%0.584SS**Hα-helixtrans-57.7-41.7174.1-70.6173.2000111.8E33 I40 K41E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 VanDerWaalsContact O-CG 3.25Å; E33-L37 WeakPolarHBondContact O-CG 3.32Å; E33-L37 PolarHBondContact O-N 2.77Å; L37-I40 PolarHBondContact O-N 2.89Å; L37-K41 WeakPolarHBondContact O-CB 3.39Å; L37-K41 PolarHBondContact O-N 3.32Å
38S95.3Very high93.5Very high72 Ų72120.4 Ų120.450%0.50357%0.574SS.*Hα-helixtrans-63.9-41175.6-176.20000112.7D34 R35 E36 K41 R42D34-S38 WeakPolarHBondContact O-CB 3.5Å; D34-S38 PolarHBondContact O-N 3.49Å; D34-S38 VanDerWaalsContact O-N 3.07Å; R35-S38 PolarHBondContact O-N 3.1Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 2.99Å; S38-K41 PolarHBondContact O-N 3.46Å; S38-R42 WeakPolarHBondContact O-CB 3.34Å; S38-R42 PolarHBondContact O-N 2.92Å
39L96.6Very high94.3Very high91 Ų91118.1 Ų118.148%0.47657%0.566SS.*Hα-helixtrans-66.3-43.2175.7-74.2173.4000112.1R35 E36 K41 R42 R43R35-L39 HydrophobicContact CG-CD1 4.46Å; R35-L39 WeakPolarHBondContact O-CG 3.39Å; R35-L39 PolarHBondContact O-N 3.49Å; E36-L39 WeakPolarHBondContact O-CB 3.26Å; E36-L39 PolarHBondContact O-N 3.28Å; E36-L39 VanDerWaalsContact O-N 3.11Å; L39-K41 VanDerWaalsContact C-N 3.35Å; L39-R42 PolarHBondContact O-N 3.47Å; L39-R43 WeakPolarHBondContact O-CB 3.49Å; L39-R43 PolarHBondContact O-N 3.05Å
40I96.1Very high94.8Very high80 Ų80115.5 Ų115.541%0.4155%0.554SS.*Hα-helixtrans-60.2-47.3176.1-68.6166000109.8E36 L37 R42 R43 N44E36-I40 HydrophobicContact CG-CD1 3.95Å; E36-I40 VanDerWaalsContact O-CG1 3.31Å; E36-I40 WeakPolarHBondContact O-CG1 3.43Å; E36-I40 PolarHBondContact O-N 2.88Å; L37-I40 PolarHBondContact O-N 2.89Å; I40-R42 PolarHBondContact O-N 3.01Å; I40-R43 WeakPolarHBondContact O-CB 3.43Å; I40-R43 PolarHBondContact O-N 3.48Å; I40-N44 VanDerWaalsContact O-CG 3.25Å; I40-N44 PolarHBondContact O-N 2.87Å; I40-N44 PolarHBondContact O-ND2 3.42Å
41K96.9Very high95.4Very high135 Ų135113 Ų11359%0.58754%0.544SS*.Hα-helixtrans-57.4-50.6176.7-175.4179.1177.3-1790111.8L37 S38 L39 R43 N44 E45L37-K41 WeakPolarHBondContact O-CB 3.39Å; L37-K41 PolarHBondContact O-N 3.32Å; S38-K41 PolarHBondContact O-N 3.46Å; L39-K41 VanDerWaalsContact C-N 3.35Å; K41-R43 VanDerWaalsContact C-N 3.29Å; K41-R43 PolarHBondContact O-N 3.32Å; K41-N44 PolarHBondContact O-N 2.9Å; K41-E45 VanDerWaalsContact CE-OE1 3.23Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 WeakPolarHBondContact O-CG 3.49Å; K41-E45 PolarHBondContact O-N 3.03Å
42R97.4Very high95.9Very high143 Ų143114.2 Ų114.254%0.5455%0.545SS..Hα-helixtrans-60.8-37177.9-179.6-178.6-83171.4-5.1112.2S38 L39 I40 R46S38-R42 WeakPolarHBondContact O-CB 3.34Å; S38-R42 PolarHBondContact O-N 2.92Å; L39-R42 PolarHBondContact O-N 3.47Å; I40-R42 PolarHBondContact O-N 3.01Å; R42-R46 WeakPolarHBondContact O-CG 3.39Å; R42-R46 PolarHBondContact O-N 3.35Å
43R97.2Very high96.1Very high178 Ų178114.1 Ų114.167%0.67255%0.546SS*.Hα-helixtrans-64.8-46.8176.5-171.3179.9-164.9150.93.4111L39 I40 K41 R46 I47L39-R43 WeakPolarHBondContact O-CB 3.49Å; L39-R43 PolarHBondContact O-N 3.05Å; I40-R43 WeakPolarHBondContact O-CB 3.43Å; I40-R43 PolarHBondContact O-N 3.48Å; K41-R43 VanDerWaalsContact C-N 3.29Å; K41-R43 PolarHBondContact O-N 3.32Å; R43-R46 PolarHBondContact O-N 3.46Å; R43-I47 HydrophobicContact CG-CD1 4.32Å; R43-I47 WeakPolarHBondContact O-CG1 3.46Å; R43-I47 PolarHBondContact O-N 3.32Å; R43-I47 VanDerWaalsContact O-N 3.1Å
44N97.7Very high96.3Very high85 Ų85110.5 Ų110.546%0.45554%0.538SS..Hα-helixtrans-63.5-42.2179.2-66.5-14.3000111.6I40 K41 R46 I47 V48I40-N44 VanDerWaalsContact O-CG 3.25Å; I40-N44 PolarHBondContact O-N 2.87Å; I40-N44 PolarHBondContact O-ND2 3.42Å; K41-N44 PolarHBondContact O-N 2.9Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 3.22Å; N44-I47 PolarHBondContact O-N 2.85Å; N44-V48 WeakPolarHBondContact O-CG2 3.36Å; N44-V48 PolarHBondContact O-N 3.33Å
45E97.8Very high96.4Very high92 Ų92110.4 Ų110.443%0.4353%0.531SS..Hα-helixtrans-57.4-42.5174.5-72.9169.2-177.900112.2K41 V48 Q49K41-E45 VanDerWaalsContact CE-OE1 3.23Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 WeakPolarHBondContact O-CG 3.49Å; K41-E45 PolarHBondContact O-N 3.03Å; E45-V48 PolarHBondContact O-N 3.27Å; E45-Q49 WeakPolarHBondContact O-CB 3.29Å; E45-Q49 VanDerWaalsContact O-CG 3.31Å; E45-Q49 WeakPolarHBondContact O-CG 3.39Å; E45-Q49 PolarHBondContact O-N 2.9Å
46R97.7Very high96.4Very high169 Ų169107.4 Ų107.464%0.63853%0.527SS*.Hα-helixtrans-64.5-40.6176.3-75.5179177.1179.6-1.6112.7R42 R43 N44 Q49 A50R42-R46 WeakPolarHBondContact O-CG 3.39Å; R42-R46 PolarHBondContact O-N 3.35Å; R43-R46 PolarHBondContact O-N 3.46Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 3.22Å; R46-Q49 PolarHBondContact O-N 3.35Å; R46-A50 WeakPolarHBondContact O-CB 3.44Å; R46-A50 PolarHBondContact O-N 2.93Å
47I96.9Very high96.2Very high79 Ų79106.5 Ų106.541%0.40553%0.526SS..Hα-helixtrans-61.9-49.4177.4-66.8166.3000109.5R43 N44 Q49 A50 E51R43-I47 HydrophobicContact CG-CD1 4.32Å; R43-I47 WeakPolarHBondContact O-CG1 3.46Å; R43-I47 PolarHBondContact O-N 3.32Å; R43-I47 VanDerWaalsContact O-N 3.1Å; N44-I47 PolarHBondContact O-N 2.85Å; I47-Q49 VanDerWaalsContact C-N 3.34Å; I47-Q49 PolarHBondContact O-N 3.42Å; I47-A50 PolarHBondContact O-N 3.22Å; I47-E51 WeakPolarHBondContact O-CG 3.41Å; I47-E51 PolarHBondContact O-N 2.97Å
48V97.6Very high95.8Very high90 Ų90104.5 Ų104.555%0.54553%0.526SS..Hα-helixtrans-59.4-44178.6172.80000111.6N44 E45 E51 L52N44-V48 WeakPolarHBondContact O-CG2 3.36Å; N44-V48 PolarHBondContact O-N 3.33Å; E45-V48 PolarHBondContact O-N 3.27Å; V48-E51 PolarHBondContact O-N 3.4Å; V48-L52 PolarHBondContact O-N 3.49Å
49Q97.8Very high95.3Very high131 Ų131107.3 Ų107.361%0.61254%0.535SS*.Hα-helixtrans-63-42.2176.5-74.8175.4-1.300112.4E45 R46 I47 L52 H53E45-Q49 WeakPolarHBondContact O-CB 3.29Å; E45-Q49 VanDerWaalsContact O-CG 3.31Å; E45-Q49 WeakPolarHBondContact O-CG 3.39Å; E45-Q49 PolarHBondContact O-N 2.9Å; R46-Q49 PolarHBondContact O-N 3.35Å; I47-Q49 VanDerWaalsContact C-N 3.34Å; I47-Q49 PolarHBondContact O-N 3.42Å; Q49-L52 PolarHBondContact O-N 3.43Å; Q49-H53 WeakPolarHBondContact O-CB 3.26Å; Q49-H53 PolarHBondContact O-N 3.41Å
50A97.1Very high94.9Very high61 Ų61106.3 Ų106.350%0.50454%0.536SS..Hα-helixtrans-63.9-42.5178.400000111.6R46 I47 H53 A54R46-A50 WeakPolarHBondContact O-CB 3.44Å; R46-A50 PolarHBondContact O-N 2.93Å; I47-A50 PolarHBondContact O-N 3.22Å; A50-H53 PolarHBondContact O-N 2.93Å; A50-A54 WeakPolarHBondContact O-CB 3.39Å; A50-A54 PolarHBondContact O-N 3.2Å
51E96.6Very high94.3Very high108 Ų108110.3 Ų110.351%0.50555%0.55SS.*Hα-helixtrans-63.1-43175.4-73-180-17900112.4I47 V48 A54 K55I47-E51 WeakPolarHBondContact O-CG 3.41Å; I47-E51 PolarHBondContact O-N 2.97Å; V48-E51 PolarHBondContact O-N 3.4Å; E51-A54 PolarHBondContact O-N 3.21Å; E51-K55 WeakPolarHBondContact O-CG 3.45Å; E51-K55 PolarHBondContact O-N 2.92Å
52L96.5Very high93.7Very high101 Ų101111.7 Ų111.753%0.52956%0.556SS.*Hα-helixtrans-63.2-44.4177.4-146-169.8000110.7V48 Q49 A54 K55 L56V48-L52 PolarHBondContact O-N 3.49Å; Q49-L52 PolarHBondContact O-N 3.43Å; L52-A54 PolarHBondContact O-N 3.27Å; L52-K55 WeakPolarHBondContact O-CB 3.46Å; L52-K55 PolarHBondContact O-N 3.38Å; L52-L56 HydrophobicContact CD2-CD1 4.11Å; L52-L56 HydrophobicContact CD2-CG 4.05Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L56 PolarHBondContact O-N 3.44Å
53H96.1Very high93Very high113 Ų113108.7 Ų108.752%0.52356%0.562SS.*Hα-helixtrans-62.3-42.5176.4-174.8-100.7000112.1Q49 A50 K55 L56 L57Q49-H53 WeakPolarHBondContact O-CB 3.26Å; Q49-H53 PolarHBondContact O-N 3.41Å; A50-H53 PolarHBondContact O-N 2.93Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 2.99Å; H53-L56 PolarHBondContact O-N 3.36Å; H53-L57 VanDerWaalsContact CE1-CD1 3.45Å; H53-L57 WeakPolarHBondContact CE1-CD1 3.37Å; H53-L57 WeakPolarHBondContact O-CG 3.48Å; H53-L57 PolarHBondContact O-N 2.96Å
54A95Very high92.4Very high55 Ų55108.5 Ų108.546%0.45557%0.569SS.*Hα-helixtrans-60.7-41.4175.200000112A50 E51 L52 L57 A58A50-A54 WeakPolarHBondContact O-CB 3.39Å; A50-A54 PolarHBondContact O-N 3.2Å; E51-A54 PolarHBondContact O-N 3.21Å; L52-A54 PolarHBondContact O-N 3.27Å; A54-L57 PolarHBondContact O-N 2.92Å; A54-A58 WeakPolarHBondContact O-CB 3.31Å; A54-A58 PolarHBondContact O-N 3.44Å
55K93.3Very high91.9Very high136 Ų136110.2 Ų110.259%0.59159%0.585SS**Hα-helixtrans-62.3-42.1174.4-73.2174.9-177.51750112.3E51 L52 H53 A58 N59E51-K55 WeakPolarHBondContact O-CG 3.45Å; E51-K55 PolarHBondContact O-N 2.92Å; L52-K55 WeakPolarHBondContact O-CB 3.46Å; L52-K55 PolarHBondContact O-N 3.38Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 2.99Å; K55-A58 PolarHBondContact O-N 3.25Å; K55-N59 WeakPolarHBondContact O-CB 3.38Å; K55-N59 VanDerWaalsContact O-CG 3.32Å; K55-N59 PolarHBondContact O-N 3.22Å; K55-N59 PolarHBondContact O-ND2 2.95Å
56L93.3Very high91.1Very high106 Ų106113.9 Ų113.956%0.55560%0.604SS**Hα-helixtrans-63.1-44.2176.5-71172.8000111.7L52 H53 N59 S60L52-L56 HydrophobicContact CD2-CD1 4.11Å; L52-L56 HydrophobicContact CD2-CG 4.05Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L56 PolarHBondContact O-N 3.44Å; H53-L56 PolarHBondContact O-N 3.36Å; L56-N59 PolarHBondContact O-N 3.01Å; L56-S60 VanDerWaalsContact O-CB 3.32Å; L56-S60 WeakPolarHBondContact O-CB 3.23Å; L56-S60 PolarHBondContact O-N 3.49Å; L56-S60 PolarHBondContact O-OG 3.03Å
57L91.8Very high90.3Very high100 Ų100116.8 Ų116.852%0.52462%0.615SS.*Hα-helixtrans-64.4-40.9176.5-72.4179.6000112.7H53 A54 N59 S60 F61H53-L57 VanDerWaalsContact CE1-CD1 3.45Å; H53-L57 WeakPolarHBondContact CE1-CD1 3.37Å; H53-L57 WeakPolarHBondContact O-CG 3.48Å; H53-L57 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 2.92Å; L57-N59 VanDerWaalsContact C-N 3.3Å; L57-N59 PolarHBondContact O-N 3.4Å; L57-S60 WeakPolarHBondContact CA-OG 3.43Å; L57-S60 PolarHBondContact O-N 3.38Å; L57-S60 PolarHBondContact O-OG 3.01Å; L57-F61 PolarHBondContact O-N 3.33Å
58A88Confident89.5Confident70 Ų70120.2 Ų120.258%0.57964%0.639SS**Hα-helixtrans-62.6-40.3176.300000111.4A54 K55A54-A58 WeakPolarHBondContact O-CB 3.31Å; A54-A58 PolarHBondContact O-N 3.44Å; K55-A58 PolarHBondContact O-N 3.25Å
59N84.4Confident88.8Confident130 Ų130118.9 Ų118.970%0.69564%0.644SS**Hα-helixtrans-76.7-22.1177.5-70.5-18.1000113.4K55 L56 L57K55-N59 WeakPolarHBondContact O-CB 3.38Å; K55-N59 VanDerWaalsContact O-CG 3.32Å; K55-N59 PolarHBondContact O-N 3.22Å; K55-N59 PolarHBondContact O-ND2 2.95Å; L56-N59 PolarHBondContact O-N 3.01Å; L57-N59 VanDerWaalsContact C-N 3.3Å; L57-N59 PolarHBondContact O-N 3.4Å
60S87.2Confident88Confident71 Ų71118 Ų11850%0.49765%0.652SS.*Hα-helixtrans-85.8-7.9179.872.80000113.8L56 L57 K62L56-S60 VanDerWaalsContact O-CB 3.32Å; L56-S60 WeakPolarHBondContact O-CB 3.23Å; L56-S60 PolarHBondContact O-N 3.49Å; L56-S60 PolarHBondContact O-OG 3.03Å; L57-S60 WeakPolarHBondContact CA-OG 3.43Å; L57-S60 PolarHBondContact O-N 3.38Å; L57-S60 PolarHBondContact O-OG 3.01Å; S60-K62 PolarHBondContact O-N 3.43Å
61F83.4Confident87Confident163 Ų163120.9 Ų120.972%0.71567%0.665SS**  trans-59.4110.5175.5-178-100.9000110.3L57L57-F61 PolarHBondContact O-N 3.33Å
62K84.4Confident86.2Confident165 Ų165122.6 Ų122.672%0.71768%0.678SS**  trans-114.8124.2168.7-60.1-59.2-179.6-166.50106.9S60 Q64S60-K62 PolarHBondContact O-N 3.43Å; K62-Q64 PolarHBondContact O-N 2.92Å
63A84Confident85.6Confident80 Ų80129.5 Ų129.566%0.66170%0.697SS**PPolyproline II helixtrans-58.5124.3172.500000108.5
64Q84Confident85Confident174 Ų174131.6 Ų131.681%0.81371%0.711SS**PPolyproline II helixtrans-68136.7169.8-68.7-173.7-13.600108K62 M66K62-Q64 PolarHBondContact O-N 2.92Å; Q64-M66 PolarHBondContact O-N 3.24Å
65P87.2Confident84.7Confident121 Ų121134.2 Ų134.279%0.78672%0.724SS**PPolyproline II helixtrans-56.2139.6175.924.3-32.8000109.3R67P65-R67 PolarHBondContact O-N 2.92Å
66M81.5Confident84.6Confident169 Ų169133.5 Ų133.583%0.83373%0.733SS**PPolyproline II helixtrans-54.3133.5176.1-74.8-178.662.700109.2Q64 V68Q64-M66 PolarHBondContact O-N 3.24Å; M66-V68 PolarHBondContact O-N 3.48Å
67R79.8Confident84.4Confident230 Ų230139.2 Ų139.287%0.86875%0.747SS**  trans-60.1102.1173.3-69-176.9-178.5174.20.3108P65 G69P65-R67 PolarHBondContact O-N 2.92Å; R67-G69 PolarHBondContact O-N 3.42Å
68V80.8Confident84.4Confident151 Ų151139.6 Ų139.692%0.91575%0.754SS**  trans-79.794.9171.1-81.40000107.5M66M66-V68 PolarHBondContact O-N 3.48Å
69G83Confident84.6Confident62 Ų62141.9 Ų141.964%0.63976%0.76SS**SBendtrans-166.3165.8-178.700000111.1R67R67-G69 PolarHBondContact O-N 3.42Å
70S80.1Confident84.9Confident113 Ų113143.3 Ų143.379%0.7976%0.762SS**PPolyproline II helixtrans-56.1134.3175-53.10000109.9
71P77.2Confident85Confident121 Ų121144.7 Ų144.779%0.78677%0.772SS**PPolyproline II helixtrans-57.2141.8-178.523.9-33.5000110.6R73P71-R73 PolarHBondContact O-N 3.33Å
72D79.9Confident85.3Confident144 Ų144141.7 Ų141.777%0.7777%0.768SS**PPolyproline II helixtrans-51.2131.9178.8-74.3-25.4000110L74D72-L74 PolarHBondContact O-N 3.46Å; D72-L74 VanDerWaalsContact O-N 3.15Å
73R82.7Confident85.7Confident246 Ų246140.6 Ų140.693%0.92878%0.775SS**PPolyproline II helixtrans-61.5120.3-177.4-68.4-176.1-178.3-112.91.7109.1P71P71-R73 PolarHBondContact O-N 3.33Å
74L84.7Confident86Confident156 Ų156143.8 Ų143.882%0.81778%0.776SS**PPolyproline II helixtrans-59.1144.2172.8-66.8174.5000109.9D72D72-L74 PolarHBondContact O-N 3.46Å; D72-L74 VanDerWaalsContact O-N 3.15Å
75P88.9Confident86.3Confident111 Ų111141.6 Ų141.672%0.72178%0.777SS**PPolyproline II helixtrans-60.1147176.825.3-33.5000110.6
76P89.4Confident86.5Confident121 Ų121143.1 Ų143.179%0.78678%0.777SS**PPolyproline II helixtrans-63.4139.4-179.926.8-34000110.8V78P76-V78 PolarHBondContact O-N 3.45Å
77R90Very high87Confident225 Ų225140.2 Ų140.285%0.84977%0.773SS**PPolyproline II helixtrans-65.4123.4175.7-179179.8177.8-170.1-0.2109.6V79R77-V79 HydrophobicContact CG-CG2 4.27Å; R77-V79 PolarHBondContact O-N 2.99Å
78V91.2Very high87.6Confident109 Ų109137.8 Ų137.866%0.66177%0.77SS**  trans-72114.7172.5-175.40000108.5P76P76-V78 PolarHBondContact O-N 3.45Å
79V93.3Very high88.1Confident117 Ų117138 Ų13871%0.70976%0.76SS**  trans-110.6112.3174.2-176.50000107.2R77R77-V79 HydrophobicContact CG-CG2 4.27Å; R77-V79 PolarHBondContact O-N 2.99Å
80H89.6Confident88.3Confident160 Ų160138.9 Ų138.974%0.74176%0.756SS**PPolyproline II helixtrans-79.1137.6176.5-61.2-69.9000110.2
81S89.8Confident88.9Confident101 Ų101139.6 Ų139.671%0.70675%0.746SS**PPolyproline II helixtrans-69.6147.417253.30000110.6V83S81-V83 PolarHBondContact O-N 2.87Å
82P90.3Very high89.6Confident99 Ų99137.2 Ų137.264%0.64373%0.729SS**PPolyproline II helixtrans-61.6134.1176.324.7-32.4000110.8H84P82-H84 PolarHBondContact O-N 3.3Å
83V91.7Very high90.2Very high142 Ų142136.6 Ų136.686%0.86172%0.722SS**PPolyproline II helixtrans-77.1118.8178.8-1790000108.9S81S81-V83 PolarHBondContact O-N 2.87Å
84H91.5Very high90.8Very high148 Ų148131 Ų13169%0.68571%0.706SS**PPolyproline II helixtrans-84.1137.6174.6-62-67000110.5P82P82-H84 PolarHBondContact O-N 3.3Å
85P90.5Very high91.3Very high128 Ų128132 Ų13283%0.83170%0.699SS**PPolyproline II helixtrans-65.4137177.927.5-33.7000110.7
86I90.2Very high91.5Very high153 Ų153130.3 Ų130.379%0.78568%0.683SS**PPolyproline II helixtrans-78.6129.6176-60.1169.1000108.2F88I86-F88 PolarHBondContact O-N 3.17Å
87S92.7Very high91.8Very high107 Ų107127.2 Ų127.275%0.74867%0.668SS**PPolyproline II helixtrans-61.4130.7174.757.80000110.7
88F93.1Very high92Very high180 Ų180122.3 Ų122.379%0.78966%0.658SS**  trans-127.9149.3175.869.1-83.9000110.8I86I86-F88 PolarHBondContact O-N 3.17Å
89H89.6Confident92.1Very high154 Ų154121.9 Ų121.971%0.71365%0.648SS**  trans-98.8128.4176.7-67.583.6000109.6F91H89-F91 PolarHBondContact O-N 2.96Å
90S88.7Confident92.2Very high81 Ų81123.9 Ų123.957%0.56664%0.643SS**  trans-85.6108.217759.40000110.7T92S90-T92 PolarHBondContact O-N 3.39Å
91F91.8Very high92.3Very high128 Ų128119.1 Ų119.156%0.56163%0.628SS**THydrogen-bonded Turntrans-73.825.3174.9-57.4-74.3000113.8H89 E94 R95H89-F91 PolarHBondContact O-N 2.96Å; F91-E94 WeakPolarHBondContact CD1-OE2 3.41Å; F91-R95 PolarHBondContact O-N 2.9Å
92T92.6Very high92.4Very high72 Ų72123.6 Ų123.644%0.44263%0.629SS.*Hα-helixtrans-68-42.7179.940.20000111.2S90 R95 I96S90-T92 PolarHBondContact O-N 3.39Å; T92-R95 PolarHBondContact O-N 3.43Å; T92-I96 WeakPolarHBondContact O-CG1 3.36Å; T92-I96 PolarHBondContact O-N 2.94Å
93E92.5Very high92.3Very high131 Ų131126.7 Ų126.761%0.61263%0.628SS**Hα-helixtrans-65-44.2-178-159.159.8-152.800111.5R95 I96 A97E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 2.97Å; E93-I96 PolarHBondContact O-N 3.43Å; E93-A97 PolarHBondContact O-N 3.15Å
94E94.4Very high92.2Very high129 Ų129126.1 Ų126.160%0.60362%0.616SS**Hα-helixtrans-59.5-41.8175.7-65.6178.1-165.600112.1F91 A97 L98F91-E94 WeakPolarHBondContact CD1-OE2 3.41Å; E94-A97 PolarHBondContact O-N 3.49Å; E94-L98 WeakPolarHBondContact O-CB 3.33Å; E94-L98 PolarHBondContact O-N 3.45Å
95R95Very high91.9Very high176 Ų176122.3 Ų122.366%0.66461%0.61SS**Hα-helixtrans-65.9-40.6178.3-168.1-174.1-54.4159.85.4112F91 T92 E93 H99F91-R95 PolarHBondContact O-N 2.9Å; T92-R95 PolarHBondContact O-N 3.43Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 2.97Å; R95-H99 WeakPolarHBondContact O-CB 3.38Å; R95-H99 PolarHBondContact O-N 2.99Å
96I94.7Very high91.5Very high75 Ų75118.5 Ų118.539%0.38559%0.587SS.*Hα-helixtrans-65-45177.8-68166.1000109.8T92 E93 H99 R100T92-I96 WeakPolarHBondContact O-CG1 3.36Å; T92-I96 PolarHBondContact O-N 2.94Å; E93-I96 PolarHBondContact O-N 3.43Å; I96-H99 PolarHBondContact O-N 2.91Å; I96-R100 WeakPolarHBondContact O-CG 3.46Å; I96-R100 PolarHBondContact O-N 3.23Å
97A94Very high90.9Very high57 Ų57114.5 Ų114.547%0.47157%0.569SS.*Hα-helixtrans-59.8-46.9177.100000112E93 E94 H99 R100 S101E93-A97 PolarHBondContact O-N 3.15Å; E94-A97 PolarHBondContact O-N 3.49Å; A97-H99 VanDerWaalsContact C-N 3.33Å; A97-H99 PolarHBondContact O-N 3.27Å; A97-R100 PolarHBondContact O-N 3.44Å; A97-S101 PolarHBondContact O-N 3.19Å
98L94.6Very high90.1Very high122 Ų122113.2 Ų113.264%0.63956%0.561SS**Hα-helixtrans-61.8-39.9177.2-175.568.4000112.4E94 S101 R102E94-L98 WeakPolarHBondContact O-CB 3.33Å; E94-L98 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-OG 3.28Å; L98-R102 WeakPolarHBondContact O-CB 3.45Å; L98-R102 PolarHBondContact O-N 3.02Å; L98-R102 VanDerWaalsContact O-N 3.07Å
99H94.7Very high89.2Confident100 Ų100106.9 Ų106.946%0.46354%0.542SS..Hα-helixtrans-68.6-37.2178.4-175.3-83.2000112.1R95 I96 A97 R103R95-H99 WeakPolarHBondContact O-CB 3.38Å; R95-H99 PolarHBondContact O-N 2.99Å; I96-H99 PolarHBondContact O-N 2.91Å; A97-H99 VanDerWaalsContact C-N 3.33Å; A97-H99 PolarHBondContact O-N 3.27Å; H99-R103 PolarHBondContact CE1-NE 3.48Å; H99-R103 VanDerWaalsContact CE1-NE 3.34Å; H99-R103 PolarHBondContact O-N 2.96Å; H99-R103 VanDerWaalsContact O-N 3.09Å
100R93.4Very high88.4Confident158 Ų158105 Ų10560%0.59653%0.533SS*.Hα-helixtrans-62.9-49.7174-74.7-178.2-177.6171.63.2111.4I96 A97 R102 R103 E104I96-R100 WeakPolarHBondContact O-CG 3.46Å; I96-R100 PolarHBondContact O-N 3.23Å; A97-R100 PolarHBondContact O-N 3.44Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 3Å; R100-R103 PolarHBondContact O-N 3.48Å; R100-R103 VanDerWaalsContact O-N 3.11Å; R100-E104 WeakPolarHBondContact O-CG 3.45Å; R100-E104 PolarHBondContact O-N 2.97Å
101S91.8Very high87.5Confident60 Ų60107.5 Ų107.542%0.4254%0.536SS..Hα-helixtrans-61.7-39.1179.671.60000112.5A97 L98 R103 E104 A105A97-S101 PolarHBondContact O-N 3.19Å; L98-S101 PolarHBondContact O-OG 3.28Å; S101-R103 PolarHBondContact O-N 3.2Å; S101-E104 PolarHBondContact O-N 3.21Å; S101-A105 WeakPolarHBondContact O-CB 3.37Å; S101-A105 PolarHBondContact O-N 3.1Å
102R92.3Very high86.2Confident196 Ų196104.4 Ų104.474%0.7453%0.53SS*.Hα-helixtrans-62.3-42.8174.9-179.5177169.8179.6-2.5112.1L98 R100 A105 S106L98-R102 WeakPolarHBondContact O-CB 3.45Å; L98-R102 PolarHBondContact O-N 3.02Å; L98-R102 VanDerWaalsContact O-N 3.07Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 3Å; R102-A105 PolarHBondContact O-N 3.38Å; R102-S106 PolarHBondContact O-N 3.24Å; R102-S106 PolarHBondContact O-OG 3.34Å; R102-S106 VanDerWaalsContact O-OG 3.12Å
103R89.2Confident84.8Confident163 Ų163106.4 Ų106.462%0.61554%0.537SS*.Hα-helixtrans-62.1-48.2176.8-90.7-163.7-171.7162.45.6111.4H99 R100 S101 A105 S106 T107H99-R103 PolarHBondContact CE1-NE 3.48Å; H99-R103 VanDerWaalsContact CE1-NE 3.34Å; H99-R103 PolarHBondContact O-N 2.96Å; H99-R103 VanDerWaalsContact O-N 3.09Å; R100-R103 PolarHBondContact O-N 3.48Å; R100-R103 VanDerWaalsContact O-N 3.11Å; S101-R103 PolarHBondContact O-N 3.2Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 3.47Å; R103-S106 WeakPolarHBondContact CA-OG 3.4Å; R103-S106 PolarHBondContact O-N 3Å; R103-S106 VanDerWaalsContact O-N 3.11Å; R103-S106 PolarHBondContact O-OG 3.48Å; R103-T107 WeakPolarHBondContact O-CG2 3.43Å; R103-T107 PolarHBondContact O-N 2.93Å; R103-T107 PolarHBondContact O-OG1 3.36Å
104E88.4Confident83.4Confident130 Ų130106.2 Ų106.261%0.60754%0.539SS*.Hα-helixtrans-59.6-39.8179.7-70.5168.4-165.100111.8R100 S101 T107 S108R100-E104 WeakPolarHBondContact O-CG 3.45Å; R100-E104 PolarHBondContact O-N 2.97Å; S101-E104 PolarHBondContact O-N 3.21Å; E104-T107 PolarHBondContact O-OG1 3.46Å; E104-S108 PolarHBondContact O-N 2.95Å
105A86Confident81.8Confident68 Ų68105.8 Ų105.856%0.56255%0.545SS*.Hα-helixtrans-65.3-41.1174.100000112.7S101 R102 R103 A109S101-A105 WeakPolarHBondContact O-CB 3.37Å; S101-A105 PolarHBondContact O-N 3.1Å; R102-A105 PolarHBondContact O-N 3.38Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 3.47Å; A105-A109 PolarHBondContact O-N 3.38Å
106S81.3Confident80.2Confident48 Ų48107.3 Ų107.334%0.33655%0.551SS.*Hα-helixtrans-69.8-39.117850.50000113.3R102 R103 S108 A109 E110R102-S106 PolarHBondContact O-N 3.24Å; R102-S106 PolarHBondContact O-OG 3.34Å; R102-S106 VanDerWaalsContact O-OG 3.12Å; R103-S106 WeakPolarHBondContact CA-OG 3.4Å; R103-S106 PolarHBondContact O-N 3Å; R103-S106 VanDerWaalsContact O-N 3.11Å; R103-S106 PolarHBondContact O-OG 3.48Å; S106-S108 PolarHBondContact O-N 3.35Å; S106-A109 PolarHBondContact O-N 2.73Å; S106-E110 WeakPolarHBondContact O-CB 3.41Å; S106-E110 WeakPolarHBondContact O-CG 3.31Å; S106-E110 PolarHBondContact O-N 3.41Å
107T77.8Confident78.5Confident69 Ų69106.5 Ų106.542%0.42356%0.56SS.*Hα-helixtrans-65.1-41.8-179.748.80000111.3R103 E104 A109 E110 E111R103-T107 WeakPolarHBondContact O-CG2 3.43Å; R103-T107 PolarHBondContact O-N 2.93Å; R103-T107 PolarHBondContact O-OG1 3.36Å; E104-T107 PolarHBondContact O-OG1 3.46Å; T107-A109 VanDerWaalsContact C-N 3.33Å; T107-A109 PolarHBondContact O-N 3.2Å; T107-E110 PolarHBondContact O-N 3.44Å; T107-E111 WeakPolarHBondContact O-CG 3.38Å; T107-E111 PolarHBondContact O-N 2.94Å
108S75.7Confident76.8Confident81 Ų81114.7 Ų114.757%0.56658%0.579SS**Hα-helixtrans-64-37.8176.1-173.30000112.3E104 S106 S112E104-S108 PolarHBondContact O-N 2.95Å; S106-S108 PolarHBondContact O-N 3.35Å; S108-S112 PolarHBondContact O-N 3.17Å
109A75.5Confident75.2Confident47 Ų47115.8 Ų115.839%0.38859%0.591SS.*Hα-helixtrans-68.1-43.3174.400000112.2A105 S106 T107 S112 I113A105-A109 PolarHBondContact O-N 3.38Å; S106-A109 PolarHBondContact O-N 2.73Å; T107-A109 VanDerWaalsContact C-N 3.33Å; T107-A109 PolarHBondContact O-N 3.2Å; A109-S112 PolarHBondContact O-N 2.84Å; A109-S112 PolarHBondContact O-OG 2.87Å; A109-I113 WeakPolarHBondContact O-CG1 3.28Å; A109-I113 PolarHBondContact O-N 3.17Å
110E71.1Confident73.8Confident115 Ų115120.3 Ų120.354%0.53761%0.61SS.*Hα-helixtrans-67.4-39.9179.9-74.7-178.9-176.900112.6S106 T107 S112 I113 I114S106-E110 WeakPolarHBondContact O-CB 3.41Å; S106-E110 WeakPolarHBondContact O-CG 3.31Å; S106-E110 PolarHBondContact O-N 3.41Å; T107-E110 PolarHBondContact O-N 3.44Å; E110-S112 PolarHBondContact O-N 3.02Å; E110-I113 PolarHBondContact O-N 3.47Å; E110-I114 VanDerWaalsContact O-CG1 3.3Å; E110-I114 WeakPolarHBondContact O-CG1 3.47Å; E110-I114 PolarHBondContact O-N 2.9Å
111E70.1Confident72.8Confident132 Ų132117.5 Ų117.562%0.61761%0.614SS**Hα-helixtrans-57.9-36.4174.5-75.8177.5-178.800111.9T107 I113 T115T107-E111 WeakPolarHBondContact O-CG 3.38Å; T107-E111 PolarHBondContact O-N 2.94Å; E111-I113 VanDerWaalsContact C-N 3.31Å; E111-I113 PolarHBondContact O-N 3.48Å; E111-T115 WeakPolarHBondContact O-CG2 3.25Å; E111-T115 PolarHBondContact O-N 3.35Å; E111-T115 PolarHBondContact O-OG1 2.7Å
112S65Low72Confident63 Ų63118.4 Ų118.444%0.44162%0.619SS.*Hα-helixtrans-70.4-25.3175.383.90000113.8S108 A109 E110 T115S108-S112 PolarHBondContact O-N 3.17Å; A109-S112 PolarHBondContact O-N 2.84Å; A109-S112 PolarHBondContact O-OG 2.87Å; E110-S112 PolarHBondContact O-N 3.02Å; S112-T115 PolarHBondContact O-OG1 3.5Å
113I64Low71.2Confident114 Ų114111.3 Ų111.359%0.58560%0.599SS**Hα-helixtrans-86-41.7179.6-64.1165.1000110.4A109 E110 E111 T115 R116 G117A109-I113 WeakPolarHBondContact O-CG1 3.28Å; A109-I113 PolarHBondContact O-N 3.17Å; E110-I113 PolarHBondContact O-N 3.47Å; E111-I113 VanDerWaalsContact C-N 3.31Å; E111-I113 PolarHBondContact O-N 3.48Å; I113-T115 VanDerWaalsContact C-N 3.31Å; I113-T115 PolarHBondContact O-N 3.39Å; I113-R116 CarbonylContact O-C 3.51Å; I113-R116 PolarHBondContact O-N 3Å; I113-G117 PolarHBondContact O-N 3.42Å
114I61.9Low70.5Confident128 Ų128109.5 Ų109.566%0.65661%0.606SS**Hα-helixtrans-62.5-40.1-179.8-64164.7000110.5E110 R116 G117E110-I114 VanDerWaalsContact O-CG1 3.3Å; E110-I114 WeakPolarHBondContact O-CG1 3.47Å; E110-I114 PolarHBondContact O-N 2.9Å; I114-R116 PolarHBondContact O-N 2.9Å; I114-G117 PolarHBondContact O-N 3.11Å
115T61.4Low70.2Confident119 Ų119109.4 Ų109.473%0.7361%0.608SS**THydrogen-bonded Turntrans-64.6-22.1175.847.10000113.3E111 S112 I113 G117E111-T115 WeakPolarHBondContact O-CG2 3.25Å; E111-T115 PolarHBondContact O-N 3.35Å; E111-T115 PolarHBondContact O-OG1 2.7Å; S112-T115 PolarHBondContact O-OG1 3.5Å; I113-T115 VanDerWaalsContact C-N 3.31Å; I113-T115 PolarHBondContact O-N 3.39Å; T115-G117 VanDerWaalsContact C-N 3.35Å
116R61.9Low70.2Confident209 Ų209115.5 Ų115.579%0.78962%0.618SS**THydrogen-bonded Turntrans-94.812.4173.7-65.2-177.7179-173.61.4113.3I113 I114 R118I113-R116 CarbonylContact O-C 3.51Å; I113-R116 PolarHBondContact O-N 3Å; I114-R116 PolarHBondContact O-N 2.9Å; R116-R118 PolarHBondContact O-N 2.87Å
117G57.8Low70.4Confident57 Ų57122 Ų12259%0.58864%0.635SS**  trans-57.982.9175.900000111.7I113 I114 T115 T119I113-G117 PolarHBondContact O-N 3.42Å; I114-G117 PolarHBondContact O-N 3.11Å; T115-G117 VanDerWaalsContact C-N 3.35Å; G117-T119 PolarHBondContact O-N 2.98Å
118R59.9Low70.9Confident230 Ų230124.9 Ų124.987%0.86865%0.653SS**  trans-49.8115.3169.7-70.2-179173.5-151-2.5107R116 K120R116-R118 PolarHBondContact O-N 2.87Å; R118-K120 VanDerWaalsContact C-N 3.34Å; R118-K120 PolarHBondContact O-N 3.34Å
119T61Low71.5Confident144 Ų144126.1 Ų126.188%0.88366%0.659SS**  trans-47.499.41736.80000107.8G117 S121G117-T119 PolarHBondContact O-N 2.98Å; T119-S121 PolarHBondContact O-N 3.07Å
120K64.8Low72.3Confident196 Ų196132.4 Ų132.485%0.85268%0.677SS**  trans-64.6124.2176.7-67.2-172.3-178.4179.10105.6R118R118-K120 VanDerWaalsContact C-N 3.34Å; R118-K120 PolarHBondContact O-N 3.34Å
121S71.6Confident73.2Confident99 Ų99133.2 Ų133.269%0.69268%0.684SS**  trans-44.4139.6174.4172.50000109.4T119 S123T119-S121 PolarHBondContact O-N 3.07Å; S121-S123 PolarHBondContact O-N 3.4Å
122P75Confident74.3Confident79 Ų79131.6 Ų131.651%0.51369%0.685SS.*SBendtrans-69.741.2-17231.1-38.2000113.9V124 I125P122-V124 PolarHBondContact O-N 3.33Å; P122-I125 HydrophobicContact CB-CD1 3.77Å; P122-I125 HydrophobicContact CB-CG1 4.17Å; P122-I125 WeakPolarHBondContact O-CB 3.5Å; P122-I125 WeakPolarHBondContact O-CG1 3.4Å; P122-I125 PolarHBondContact O-N 3.25Å
123S75.9Confident75.6Confident46 Ų46134.5 Ų134.532%0.32270%0.7SS.*G310 helixtrans-54.3-23.4173.2167.90000112.9S121 I125 Y126 R127S121-S123 PolarHBondContact O-N 3.4Å; S123-I125 PolarHBondContact O-N 3.44Å; S123-Y126 PolarHBondContact O-N 3.4Å; S123-Y126 VanDerWaalsContact O-N 3.13Å; S123-R127 WeakPolarHBondContact O-CG 3.33Å; S123-R127 PolarHBondContact O-N 2.85Å; S123-R127 PolarHBondContact OG-NE 3.22Å
124V75.5Confident76.7Confident126 Ų126138.6 Ų138.676%0.76471%0.714SS**G310 helixtrans-58.2-31.4175173.90000111.7P122 Y126P122-V124 PolarHBondContact O-N 3.33Å; V124-Y126 VanDerWaalsContact C-N 3.26Å; V124-Y126 PolarHBondContact O-N 3.28Å
125I81.8Confident77.9Confident127 Ų127136.5 Ų136.565%0.65171%0.709SS**G310 helixtrans-65.3-32.6179.3-55.6178.2000111.3P122 S123P122-I125 HydrophobicContact CB-CD1 3.77Å; P122-I125 HydrophobicContact CB-CG1 4.17Å; P122-I125 WeakPolarHBondContact O-CB 3.5Å; P122-I125 WeakPolarHBondContact O-CG1 3.4Å; P122-I125 PolarHBondContact O-N 3.25Å; S123-I125 PolarHBondContact O-N 3.44Å
126Y85.4Confident79.3Confident196 Ų196140.7 Ų140.777%0.76972%0.72SS**THydrogen-bonded Turntrans-103.8-4.8-175.4-53.4-70.5000113.6S123 V124S123-Y126 PolarHBondContact O-N 3.4Å; S123-Y126 VanDerWaalsContact O-N 3.13Å; V124-Y126 VanDerWaalsContact C-N 3.26Å; V124-Y126 PolarHBondContact O-N 3.28Å
127R86.1Confident80.6Confident186 Ų186140.3 Ų140.370%0.70272%0.719SS**SBendtrans-85.6133.2177.2-80.2-176.9-175.2-146.9-3.1109.7S123S123-R127 WeakPolarHBondContact O-CG 3.33Å; S123-R127 PolarHBondContact O-N 2.85Å; S123-R127 PolarHBondContact OG-NE 3.22Å
128T87.2Confident82Confident129 Ų129142.4 Ų142.479%0.79173%0.725SS**PPolyproline II helixtrans-61.8138.4168.347.90000109.5
129P87.9Confident83.3Confident107 Ų107137 Ų13770%0.69572%0.719SS**PPolyproline II helixtrans-63.4150.9179.427.2-34.3000110.2I131P129-I131 PolarHBondContact O-N 3.38Å
130F92.3Very high84.6Confident178 Ų178137.9 Ų137.978%0.78172%0.717SS**PPolyproline II helixtrans-63.2123.9174.9170.7-103.2000110.2P132F130-P132 HydrophobicContact CE1-CB 3.87Å; F130-P132 HydrophobicContact CZ-CB 4.34Å
131I91.6Very high85.8Confident132 Ų132134.5 Ų134.568%0.67771%0.712SS**  trans-102.8111.9175-57.3174.7000107.1P129 T133P129-I131 PolarHBondContact O-N 3.38Å; I131-T133 PolarHBondContact O-N 2.97Å
132P92.8Very high86.7Confident99 Ų99134.2 Ų134.264%0.64372%0.716SS**  trans-65.7126.7178.426.3-32.4000109.9F130F130-P132 HydrophobicContact CE1-CB 3.87Å; F130-P132 HydrophobicContact CZ-CB 4.34Å
133T92.1Very high87.6Confident123 Ų123136.6 Ų136.676%0.75573%0.728SS**  trans-104.6142.8175.151.80000110.4I131I131-T133 PolarHBondContact O-N 2.97Å
134F86.5Confident88.3Confident200 Ų200139.3 Ų139.388%0.87775%0.745SS**  trans-70.2140.8172.4-69-73.3000109.8
135P88Confident89.2Confident84 Ų84138.2 Ų138.255%0.54574%0.741SS.*  trans-73.3133179.332.9-35.6000109.7R137P135-R137 HydrophobicContact CB-CG 4.08Å; P135-R137 HydrophobicContact CG-CG 4.38Å; P135-R137 PolarHBondContact O-N 3.16Å
136E89.3Confident89.8Confident207 Ų207141.4 Ų141.497%0.96775%0.75SS**  trans-64.5-10.3-178.7-77.2-176.8155.800114.7
137R89.2Confident90.3Very high202 Ų202136.6 Ų136.676%0.76274%0.737SS**SBendtrans-67.2137.1-177.561.5-172170.2169.1-2.3111.8P135P135-R137 HydrophobicContact CB-CG 4.08Å; P135-R137 HydrophobicContact CG-CG 4.38Å; P135-R137 PolarHBondContact O-N 3.16Å
138S87.7Confident90.9Very high101 Ų101131.1 Ų131.171%0.70673%0.731SS**PPolyproline II helixtrans-61.7150.2175.451.30000111.7I140S138-I140 PolarHBondContact O-N 2.93Å
139P86.8Confident91.4Very high116 Ų116129.7 Ų129.775%0.75372%0.722SS**PPolyproline II helixtrans-58.8136176.8-20.431.2000111.1V141P139-V141 PolarHBondContact O-N 3.35Å; P139-V141 VanDerWaalsContact O-N 3.16Å
140I88.3Confident91.8Very high163 Ų163128.7 Ų128.784%0.83671%0.714SS**  trans-67.1114.5175.8-61.2169.1000108.1S138 A142S138-I140 PolarHBondContact O-N 2.93Å; I140-A142 PolarHBondContact O-N 3.48Å
141V91.2Very high92.1Very high125 Ų125125.8 Ų125.876%0.75870%0.703SS**  trans-76.6118.1173.7-178.70000108.5P139 V143P139-V141 PolarHBondContact O-N 3.35Å; P139-V141 VanDerWaalsContact O-N 3.16Å; V141-V143 PolarHBondContact O-N 2.92Å; V141-V143 VanDerWaalsContact O-N 3.15Å
142A90.3Very high92.4Very high93 Ų93128.9 Ų128.977%0.76971%0.706SS**  trans-67.6111.5177.900000110.3I140I140-A142 PolarHBondContact O-N 3.48Å
143V92.7Very high92.6Very high128 Ų128127 Ų12778%0.77670%0.699SS**PPolyproline II helixtrans-82.1120.4171.1179.50000108V141V141-V143 PolarHBondContact O-N 2.92Å; V141-V143 VanDerWaalsContact O-N 3.15Å
144P91.1Very high92.9Very high103 Ų103126.7 Ų126.767%0.66969%0.691SS**PPolyproline II helixtrans-64.3141.6178.226.3-33.1000110.4
145P94.5Very high93.5Very high104 Ų104120.8 Ų120.868%0.67567%0.674SS**PPolyproline II helixtrans-66.8147179.328.5-34.6000110.6L147P145-L147 HydrophobicContact CG-CD2 4.17Å; P145-L147 PolarHBondContact O-N 3.4Å; P145-L147 VanDerWaalsContact O-N 3.17Å
146K94.8Very high94Very high194 Ų194124.1 Ų124.184%0.84368%0.676SS**  trans-68.4113.2171.2-67.1-177.2-179.9179.50109
147L96.9Very high94.4Very high95 Ų95117.1 Ų117.150%0.49765%0.65SS.*  trans-90.9124.4179.3-58.3-179.2000110.2P145 T149 V150P145-L147 HydrophobicContact CG-CD2 4.17Å; P145-L147 PolarHBondContact O-N 3.4Å; P145-L147 VanDerWaalsContact O-N 3.17Å; L147-T149 WeakPolarHBondContact CB-OG1 3.33Å; L147-T149 PolarHBondContact O-N 3.45Å; L147-T149 VanDerWaalsContact O-N 3.07Å; L147-V150 HydrophobicContact CB-CG2 4.16Å; L147-V150 WeakPolarHBondContact O-CB 3.44Å; L147-V150 PolarHBondContact O-N 3.32Å
148A97.3Very high94.9Very high70 Ų70114 Ų11458%0.57964%0.642SS**Hα-helixtrans-58.5-22.6175.600000113.3E151 R152A148-E151 PolarHBondContact O-N 2.9Å; A148-R152 WeakPolarHBondContact O-CB 3.36Å; A148-R152 PolarHBondContact O-N 2.98Å
149T97.2Very high95.4Very high99 Ų99116 Ų11661%0.60764%0.635SS**Hα-helixtrans-64.5-38.9174.649.60000112.2L147 R152 A153L147-T149 WeakPolarHBondContact CB-OG1 3.33Å; L147-T149 PolarHBondContact O-N 3.45Å; L147-T149 VanDerWaalsContact O-N 3.07Å; T149-R152 PolarHBondContact O-N 2.83Å; T149-A153 WeakPolarHBondContact O-CB 3.49Å; T149-A153 PolarHBondContact O-N 2.99Å
150V97.5Very high95.9Very high86 Ų86113.4 Ų113.452%0.52161%0.614SS.*Hα-helixtrans-66.2-45.5177.1177.40000109.9L147 R152 A153 M154L147-V150 HydrophobicContact CB-CG2 4.16Å; L147-V150 WeakPolarHBondContact O-CB 3.44Å; L147-V150 PolarHBondContact O-N 3.32Å; V150-R152 VanDerWaalsContact C-N 3.34Å; V150-R152 PolarHBondContact O-N 3.21Å; V150-A153 PolarHBondContact O-N 3.25Å; V150-M154 WeakPolarHBondContact O-CG 3.36Å; V150-M154 PolarHBondContact O-N 3.19Å
151E97.5Very high96.4Very high118 Ų118109 Ų10955%0.55159%0.592SS**Hα-helixtrans-62.5-41.2177.9-63.4-178.5167.400112.1A148 M154 S155A148-E151 PolarHBondContact O-N 2.9Å; E151-M154 PolarHBondContact O-N 3.43Å; E151-S155 WeakPolarHBondContact O-CB 3.23Å; E151-S155 PolarHBondContact O-N 3.1Å; E151-S155 PolarHBondContact O-OG 3.41Å
152R98.2Very high96.8Very high197 Ų197107.2 Ų107.274%0.74358%0.576SS**Hα-helixtrans-63.8-43.7175-174.8-177-62.4-154.7-0.3111.7A148 T149 V150 S155 R156A148-R152 WeakPolarHBondContact O-CB 3.36Å; A148-R152 PolarHBondContact O-N 2.98Å; T149-R152 PolarHBondContact O-N 2.83Å; V150-R152 VanDerWaalsContact C-N 3.34Å; V150-R152 PolarHBondContact O-N 3.21Å; R152-S155 PolarHBondContact O-N 2.85Å; R152-R156 WeakPolarHBondContact O-CB 3.5Å; R152-R156 PolarHBondContact O-N 3.33Å
153A98.2Very high97.1Very high60 Ų60103.8 Ų103.850%0.49655%0.547SS..Hα-helixtrans-61.9-45.2178.200000111.3T149 V150 S155 R156 S157T149-A153 WeakPolarHBondContact O-CB 3.49Å; T149-A153 PolarHBondContact O-N 2.99Å; V150-A153 PolarHBondContact O-N 3.25Å; A153-S155 PolarHBondContact O-N 2.91Å; A153-R156 PolarHBondContact O-N 3.27Å; A153-S157 PolarHBondContact O-N 3.06Å
154M98.3Very high97.4Very high116 Ų116102.4 Ų102.457%0.57153%0.533SS*.Hα-helixtrans-61.9-43.3175.9-68.5-63.1-6700112.1V150 E151 R156 S157 K158V150-M154 WeakPolarHBondContact O-CG 3.36Å; V150-M154 PolarHBondContact O-N 3.19Å; E151-M154 PolarHBondContact O-N 3.43Å; M154-R156 VanDerWaalsContact C-N 3.33Å; M154-R156 PolarHBondContact O-N 3.46Å; M154-S157 PolarHBondContact O-N 3.45Å; M154-K158 WeakPolarHBondContact O-CG 3.46Å; M154-K158 PolarHBondContact O-N 3.46Å; M154-K158 VanDerWaalsContact O-N 3.13Å
155S98.3Very high97.7Very high76 Ų76105.1 Ų105.153%0.53153%0.53SS..Hα-helixtrans-63.1-41176.6-59.30000111.8E151 R152 A153 K158 Y159E151-S155 WeakPolarHBondContact O-CB 3.23Å; E151-S155 PolarHBondContact O-N 3.1Å; E151-S155 PolarHBondContact O-OG 3.41Å; R152-S155 PolarHBondContact O-N 2.85Å; A153-S155 PolarHBondContact O-N 2.91Å; S155-K158 PolarHBondContact O-N 3.4Å; S155-Y159 PolarHBondContact O-N 3.33Å; S155-Y159 VanDerWaalsContact O-N 3.11Å
156R98.2Very high97.9Very high154 Ų154106.6 Ų106.658%0.58152%0.522SS*.Hα-helixtrans-65.4-44.6177.2-178.455.4179.8-95.1-1.1111.8R152 A153 M154 K158 Y159 D160R152-R156 WeakPolarHBondContact O-CB 3.5Å; R152-R156 PolarHBondContact O-N 3.33Å; A153-R156 PolarHBondContact O-N 3.27Å; M154-R156 VanDerWaalsContact C-N 3.33Å; M154-R156 PolarHBondContact O-N 3.46Å; R156-K158 VanDerWaalsContact C-N 3.33Å; R156-K158 PolarHBondContact O-N 3Å; R156-Y159 WeakPolarHBondContact O-CB 3.47Å; R156-Y159 PolarHBondContact O-N 3.16Å; R156-Y159 VanDerWaalsContact O-N 3.15Å; R156-D160 IonicContact CZ-OD1 3.9Å; R156-D160 IonicContact NE-OD1 3.6Å; R156-D160 PolarHBondContact NE-OD1 3.24Å; R156-D160 IonicContact NE-OD2 3.19Å; R156-D160 PolarHBondContact NE-OD2 2.99Å; R156-D160 IonicContact NH2-OD1 3.94Å; R156-D160 VanDerWaalsContact O-CG 3.32Å; R156-D160 PolarHBondContact O-N 3.16Å
157S98.6Very high98Very high60 Ų60104.5 Ų104.542%0.4251%0.508SS..Hα-helixtrans-55.9-47.4175.8-170.80000111.5A153 M154 Y159 D160 D161A153-S157 PolarHBondContact O-N 3.06Å; M154-S157 PolarHBondContact O-N 3.45Å; S157-Y159 VanDerWaalsContact C-N 3.33Å; S157-Y159 PolarHBondContact O-N 2.87Å; S157-D160 PolarHBondContact O-N 3.36Å; S157-D161 VanDerWaalsContact O-CG 3.23Å; S157-D161 PolarHBondContact O-N 2.86Å
158K98.7Very high98.1Very high136 Ų136103.1 Ų103.159%0.59150%0.502SS*.Hα-helixtrans-59.7-42.6177.1-70.7177.8-178.5-177.50112.4M154 S155 R156 D161 E162M154-K158 WeakPolarHBondContact O-CG 3.46Å; M154-K158 PolarHBondContact O-N 3.46Å; M154-K158 VanDerWaalsContact O-N 3.13Å; S155-K158 PolarHBondContact O-N 3.4Å; R156-K158 VanDerWaalsContact C-N 3.33Å; R156-K158 PolarHBondContact O-N 3Å; K158-D161 PolarHBondContact O-N 2.96Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.43Å
159Y98.7Very high98.2Very high142 Ų142104 Ų10456%0.55750%0.496SS*.Hα-helixtrans-63.8-44.8177.6177.2-90.3000111.8S155 R156 S157 D161 E162 A163S155-Y159 PolarHBondContact O-N 3.33Å; S155-Y159 VanDerWaalsContact O-N 3.11Å; R156-Y159 WeakPolarHBondContact O-CB 3.47Å; R156-Y159 PolarHBondContact O-N 3.16Å; R156-Y159 VanDerWaalsContact O-N 3.15Å; S157-Y159 VanDerWaalsContact C-N 3.33Å; S157-Y159 PolarHBondContact O-N 2.87Å; Y159-D161 VanDerWaalsContact C-N 3.33Å; Y159-D161 PolarHBondContact O-N 2.97Å; Y159-E162 PolarHBondContact O-N 2.97Å; Y159-A163 HydrophobicContact CE1-CB 4.36Å; Y159-A163 WeakPolarHBondContact O-CB 3.35Å; Y159-A163 PolarHBondContact O-N 3.21Å
160D98.4Very high98.1Very high62 Ų62104.6 Ų104.633%0.33249%0.494SS..Hα-helixtrans-64-40.6-179.6-67.8-22.2000110.6R156 S157 A163 Q164R156-D160 IonicContact CZ-OD1 3.9Å; R156-D160 IonicContact NE-OD1 3.6Å; R156-D160 PolarHBondContact NE-OD1 3.24Å; R156-D160 IonicContact NE-OD2 3.19Å; R156-D160 PolarHBondContact NE-OD2 2.99Å; R156-D160 IonicContact NH2-OD1 3.94Å; R156-D160 VanDerWaalsContact O-CG 3.32Å; R156-D160 PolarHBondContact O-N 3.16Å; S157-D160 PolarHBondContact O-N 3.36Å; D160-A163 PolarHBondContact O-N 3.33Å; D160-Q164 WeakPolarHBondContact O-CB 3.42Å; D160-Q164 PolarHBondContact O-N 3.43Å
161D98.6Very high98.1Very high70 Ų70106 Ų10637%0.37450%0.496SS..Hα-helixtrans-59.7-47.2173.4-68.1-21.9000111.9S157 K158 Y159 Q164 R165S157-D161 VanDerWaalsContact O-CG 3.23Å; S157-D161 PolarHBondContact O-N 2.86Å; K158-D161 PolarHBondContact O-N 2.96Å; Y159-D161 VanDerWaalsContact C-N 3.33Å; Y159-D161 PolarHBondContact O-N 2.97Å; D161-Q164 PolarHBondContact O-N 3.03Å; D161-R165 WeakPolarHBondContact O-CG 3.33Å; D161-R165 PolarHBondContact O-N 2.97Å
162E98.6Very high98.1Very high89 Ų89106.5 Ų106.542%0.41650%0.498SS..Hα-helixtrans-64-43176.8-75.5-175.9-164.700112.3K158 Y159 Q164 R165 R166K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.43Å; Y159-E162 PolarHBondContact O-N 2.97Å; E162-Q164 VanDerWaalsContact C-N 3.26Å; E162-Q164 PolarHBondContact O-N 3.31Å; E162-R165 PolarHBondContact O-N 3.48Å; E162-R166 WeakPolarHBondContact O-CG 3.38Å; E162-R166 PolarHBondContact O-N 3.49Å; E162-R166 IonicContact OE2-CZ 2.99Å; E162-R166 IonicContact OE2-NH1 2.97Å; E162-R166 IonicContact OE2-NH2 3.67Å; E162-R166 PolarHBondContact OE2-NH2 3.26Å
163A97.6Very high98.1Very high20 Ų20102 Ų10217%0.16549%0.485CS..Hα-helixtrans-64.2-34.9178.100000111.4Y159 D160 R167Y159-A163 HydrophobicContact CE1-CB 4.36Å; Y159-A163 WeakPolarHBondContact O-CB 3.35Å; Y159-A163 PolarHBondContact O-N 3.21Å; D160-A163 PolarHBondContact O-N 3.33Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.4Å; A163-R167 VanDerWaalsContact O-N 3.16Å; A163-R167 PolarHBondContact O-NE 2.9Å; A163-R167 VanDerWaalsContact O-NE 3.1Å
164Q98.1Very high97.9Very high100 Ų100102.2 Ų102.247%0.46748%0.483SS..Hα-helixtrans-66.6-50.7172.9-175168.8-12.500111.2D160 D161 E162 R166 R167 D168D160-Q164 WeakPolarHBondContact O-CB 3.42Å; D160-Q164 PolarHBondContact O-N 3.43Å; D161-Q164 PolarHBondContact O-N 3.03Å; E162-Q164 VanDerWaalsContact C-N 3.26Å; E162-Q164 PolarHBondContact O-N 3.31Å; Q164-R166 VanDerWaalsContact C-N 3.28Å; Q164-R166 PolarHBondContact O-N 3.19Å; Q164-R167 WeakPolarHBondContact O-CA 3.33Å; Q164-R167 WeakPolarHBondContact O-CB 3.27Å; Q164-R167 PolarHBondContact O-N 3.43Å; Q164-D168 VanDerWaalsContact O-CG 3.26Å; Q164-D168 PolarHBondContact O-N 3.15Å
165R98.6Very high97.9Very high159 Ų159100 Ų10060%0.647%0.471SS*.Hα-helixtrans-55-42.7176.5-68.9172.3-164.9168.16.4112.5D161 E162 D168 I169D161-R165 WeakPolarHBondContact O-CG 3.33Å; D161-R165 PolarHBondContact O-N 2.97Å; E162-R165 PolarHBondContact O-N 3.48Å; R165-D168 PolarHBondContact O-N 3.28Å; R165-I169 WeakPolarHBondContact O-CD1 3.49Å; R165-I169 VanDerWaalsContact O-CG1 3.27Å; R165-I169 WeakPolarHBondContact O-CG1 3.38Å; R165-I169 PolarHBondContact O-N 3.11Å
166R98Very high97.9Very high136 Ų136102.1 Ų102.151%0.51348%0.476SS..Hα-helixtrans-62.4-42.4176.5-71.8179.7-170115.44.7111.9E162 Q164 L170E162-R166 WeakPolarHBondContact O-CG 3.38Å; E162-R166 PolarHBondContact O-N 3.49Å; E162-R166 IonicContact OE2-CZ 2.99Å; E162-R166 IonicContact OE2-NH1 2.97Å; E162-R166 IonicContact OE2-NH2 3.67Å; E162-R166 PolarHBondContact OE2-NH2 3.26Å; Q164-R166 VanDerWaalsContact C-N 3.28Å; Q164-R166 PolarHBondContact O-N 3.19Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 3.06Å; R166-L170 VanDerWaalsContact O-N 3.16Å
167R97.5Very high97.9Very high149 Ų14999 Ų9956%0.56247%0.47SS*.Hα-helixtrans-63-45.2176.2-77.9178.3-78.2147-7.5111.5A163 Q164 I169 L170 Q171A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.4Å; A163-R167 VanDerWaalsContact O-N 3.16Å; A163-R167 PolarHBondContact O-NE 2.9Å; A163-R167 VanDerWaalsContact O-NE 3.1Å; Q164-R167 WeakPolarHBondContact O-CA 3.33Å; Q164-R167 WeakPolarHBondContact O-CB 3.27Å; Q164-R167 PolarHBondContact O-N 3.43Å; R167-I169 PolarHBondContact O-N 2.9Å; R167-L170 PolarHBondContact O-N 3.4Å; R167-Q171 WeakPolarHBondContact O-CB 3.47Å; R167-Q171 PolarHBondContact O-N 3.42Å
168D98.3Very high97.8Very high67 Ų67102.6 Ų102.636%0.35847%0.474SS..Hα-helixtrans-62.5-43.2-179.3-61.7-18.6000111.5Q164 R165 Q171 Q172Q164-D168 VanDerWaalsContact O-CG 3.26Å; Q164-D168 PolarHBondContact O-N 3.15Å; R165-D168 PolarHBondContact O-N 3.28Å; D168-Q171 PolarHBondContact O-N 2.68Å; D168-Q172 VanDerWaalsContact O-CG 3.29Å; D168-Q172 WeakPolarHBondContact O-CG 3.37Å; D168-Q172 PolarHBondContact O-N 3.25Å
169I98.4Very high97.7Very high89 Ų89100.7 Ų100.746%0.45647%0.47SS..Hα-helixtrans-60.8-47.4176-68.6164.6000111.1R165 R167 Q171 Q172 Q173R165-I169 WeakPolarHBondContact O-CD1 3.49Å; R165-I169 VanDerWaalsContact O-CG1 3.27Å; R165-I169 WeakPolarHBondContact O-CG1 3.38Å; R165-I169 PolarHBondContact O-N 3.11Å; R167-I169 PolarHBondContact O-N 2.9Å; I169-Q171 VanDerWaalsContact C-N 3.31Å; I169-Q171 PolarHBondContact O-N 3.39Å; I169-Q172 PolarHBondContact O-N 2.93Å; I169-Q173 WeakPolarHBondContact O-CG 3.33Å; I169-Q173 PolarHBondContact O-N 2.87Å
170L96.4Very high97.7Very high110 Ų110100.3 Ų100.358%0.57647%0.471SS*.Hα-helixtrans-62.6-40.8178.9-72.9172.7000111.5R166 R167 Q173 S174R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 3.06Å; R166-L170 VanDerWaalsContact O-N 3.16Å; R167-L170 PolarHBondContact O-N 3.4Å; L170-Q173 PolarHBondContact O-N 2.98Å; L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 3.34Å; L170-S174 PolarHBondContact O-OG 2.97Å
171Q97.3Very high97.6Very high117 Ų117105 Ų10555%0.54748%0.484SS..Hα-helixtrans-62.1-48.5176.3-174.7176-7.900111.1R167 D168 I169 Q173 S174 E175R167-Q171 WeakPolarHBondContact O-CB 3.47Å; R167-Q171 PolarHBondContact O-N 3.42Å; D168-Q171 PolarHBondContact O-N 2.68Å; I169-Q171 VanDerWaalsContact C-N 3.31Å; I169-Q171 PolarHBondContact O-N 3.39Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q173 PolarHBondContact O-N 2.76Å; Q171-S174 PolarHBondContact O-N 3.43Å; Q171-S174 VanDerWaalsContact O-N 3.16Å; Q171-S174 PolarHBondContact O-OG 3.5Å; Q171-E175 PolarHBondContact O-N 3.26Å
172Q98.1Very high97.6Very high127 Ų127106.8 Ų106.859%0.59349%0.492SS*.Hα-helixtrans-58-44.6176.6-72.4173.90.800112.1D168 I169 S174 E175 L176D168-Q172 VanDerWaalsContact O-CG 3.29Å; D168-Q172 WeakPolarHBondContact O-CG 3.37Å; D168-Q172 PolarHBondContact O-N 3.25Å; I169-Q172 PolarHBondContact O-N 2.93Å; Q172-S174 VanDerWaalsContact C-N 3.35Å; Q172-S174 PolarHBondContact O-N 3.46Å; Q172-E175 PolarHBondContact O-N 3.45Å; Q172-L176 WeakPolarHBondContact O-CG 3.43Å; Q172-L176 PolarHBondContact O-N 3.47Å
173Q97Very high97.5Very high103 Ų103108.3 Ų108.348%0.48150%0.499SS..Hα-helixtrans-62-42.9176.3-72175.9-3.200111.9I169 L170 Q171 E175 L176 I177I169-Q173 WeakPolarHBondContact O-CG 3.33Å; I169-Q173 PolarHBondContact O-N 2.87Å; L170-Q173 PolarHBondContact O-N 2.98Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q173 PolarHBondContact O-N 2.76Å; Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 3.47Å; Q173-L176 PolarHBondContact O-N 2.98Å; Q173-I177 VanDerWaalsContact O-CG1 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.38Å; Q173-I177 PolarHBondContact O-N 3.44Å
174S95Very high97.6Very high64 Ų64110.7 Ų110.745%0.44851%0.509SS..Hα-helixtrans-63.6-39.8178.475.30000112.2L170 Q171 Q172 I177 R178L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 3.34Å; L170-S174 PolarHBondContact O-OG 2.97Å; Q171-S174 PolarHBondContact O-N 3.43Å; Q171-S174 VanDerWaalsContact O-N 3.16Å; Q171-S174 PolarHBondContact O-OG 3.5Å; Q172-S174 VanDerWaalsContact C-N 3.35Å; Q172-S174 PolarHBondContact O-N 3.46Å; S174-I177 PolarHBondContact O-N 3.07Å; S174-R178 WeakPolarHBondContact O-CB 3.37Å; S174-R178 PolarHBondContact O-N 3Å
175E97.7Very high97.5Very high70 Ų70111.2 Ų111.233%0.32751%0.511SS..Hα-helixtrans-66.7-43.3176.1-75-63.5163.300111.8Q171 Q172 Q173 I177 R178 L179Q171-E175 PolarHBondContact O-N 3.26Å; Q172-E175 PolarHBondContact O-N 3.45Å; Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 3.47Å; E175-I177 VanDerWaalsContact C-N 3.32Å; E175-I177 PolarHBondContact O-N 2.97Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 3.13Å; E175-R178 VanDerWaalsContact O-N 3.17Å; E175-R178 IonicContact OE1-NE 3.83Å; E175-R178 IonicContact OE1-NH2 3.72Å; E175-R178 IonicContact OE2-CZ 3.21Å; E175-R178 IonicContact OE2-NE 2.84Å; E175-R178 PolarHBondContact OE2-NE 3.47Å; E175-R178 IonicContact OE2-NH2 2.73Å; E175-R178 PolarHBondContact OE2-NH2 3.05Å; E175-L179 WeakPolarHBondContact O-CG 3.38Å; E175-L179 PolarHBondContact O-N 3.28Å
176L98.2Very high97.5Very high120 Ų120106 Ų10663%0.62850%0.502SS*.Hα-helixtrans-59.4-43.2174.6-72.5173.3000111.9Q172 Q173 K180Q172-L176 WeakPolarHBondContact O-CG 3.43Å; Q172-L176 PolarHBondContact O-N 3.47Å; Q173-L176 PolarHBondContact O-N 2.98Å; L176-K180 WeakPolarHBondContact O-CB 3.48Å; L176-K180 PolarHBondContact O-N 3.15Å
177I97.4Very high97.5Very high90 Ų90102.9 Ų102.946%0.46250%0.496SS..Hα-helixtrans-64.4-41.7176.2-68.4164.8000110.7Q173 S174 E175 K180 R181Q173-I177 VanDerWaalsContact O-CG1 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.38Å; Q173-I177 PolarHBondContact O-N 3.44Å; S174-I177 PolarHBondContact O-N 3.07Å; E175-I177 VanDerWaalsContact C-N 3.32Å; E175-I177 PolarHBondContact O-N 2.97Å; I177-K180 PolarHBondContact O-N 3.42Å; I177-R181 WeakPolarHBondContact O-CG 3.33Å; I177-R181 PolarHBondContact O-N 3.47Å
178R96.8Very high97.5Very high134 Ų134101.8 Ų101.851%0.50650%0.495SS..Hα-helixtrans-61.4-49177.8-173.3177.673.9117.2-3.4111.4S174 E175 K180 R181 M182S174-R178 WeakPolarHBondContact O-CB 3.37Å; S174-R178 PolarHBondContact O-N 3Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 3.13Å; E175-R178 VanDerWaalsContact O-N 3.17Å; E175-R178 IonicContact OE1-NE 3.83Å; E175-R178 IonicContact OE1-NH2 3.72Å; E175-R178 IonicContact OE2-CZ 3.21Å; E175-R178 IonicContact OE2-NE 2.84Å; E175-R178 PolarHBondContact OE2-NE 3.47Å; E175-R178 IonicContact OE2-NH2 2.73Å; E175-R178 PolarHBondContact OE2-NH2 3.05Å; R178-K180 PolarHBondContact O-N 2.83Å; R178-R181 PolarHBondContact O-N 3.17Å; R178-M182 WeakPolarHBondContact O-CG 3.46Å; R178-M182 PolarHBondContact O-N 2.93Å
179L98Very high97.5Very high97 Ų97102.6 Ų102.651%0.50850%0.499SS..Hα-helixtrans-60.8-44.8178.1-70.7175000111.8E175 R181 M182 E183E175-L179 WeakPolarHBondContact O-CG 3.38Å; E175-L179 PolarHBondContact O-N 3.28Å; L179-R181 PolarHBondContact O-N 3.29Å; L179-M182 PolarHBondContact O-N 3.02Å; L179-E183 PolarHBondContact O-N 2.98Å
180K97.8Very high97.4Very high133 Ų133106.8 Ų106.858%0.57851%0.509SS*.Hα-helixtrans-60.1-43.7176.3-174.5177.4-178.91770112.3L176 I177 R178 M182 E183 D184L176-K180 WeakPolarHBondContact O-CB 3.48Å; L176-K180 PolarHBondContact O-N 3.15Å; I177-K180 PolarHBondContact O-N 3.42Å; R178-K180 PolarHBondContact O-N 2.83Å; K180-M182 PolarHBondContact O-N 3.38Å; K180-E183 PolarHBondContact O-N 3.42Å; K180-D184 VanDerWaalsContact O-CG 3.31Å; K180-D184 PolarHBondContact O-N 3.34Å
181R97Very high97.5Very high161 Ų161106.9 Ų106.961%0.60851%0.506SS*.Hα-helixtrans-60.7-44.3176.1-74.7176.3-178179.51.9111.8I177 R178 L179 E183 D184 E185I177-R181 WeakPolarHBondContact O-CG 3.33Å; I177-R181 PolarHBondContact O-N 3.47Å; R178-R181 PolarHBondContact O-N 3.17Å; L179-R181 PolarHBondContact O-N 3.29Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 2.97Å; R181-D184 PolarHBondContact O-N 3.23Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 VanDerWaalsContact O-CG 3.29Å; R181-E185 WeakPolarHBondContact O-CG 3.32Å; R181-E185 PolarHBondContact O-N 3.04Å
182M97.1Very high97.5Very high107 Ų107106 Ų10653%0.52750%0.504SS..Hα-helixtrans-61.8-40.2176.7-70.8-175.67000112R178 L179 K180 E185 A186R178-M182 WeakPolarHBondContact O-CG 3.46Å; R178-M182 PolarHBondContact O-N 2.93Å; L179-M182 PolarHBondContact O-N 3.02Å; K180-M182 PolarHBondContact O-N 3.38Å; M182-E185 PolarHBondContact O-N 3.26Å; M182-A186 WeakPolarHBondContact O-CB 3.45Å; M182-A186 PolarHBondContact O-N 3.07Å
183E98.1Very high97.4Very high121 Ų121108.5 Ų108.557%0.56551%0.508SS*.Hα-helixtrans-64.9-46175.6-175.1176.8-166.900111.8L179 K180 R181 E185 A186 N187L179-E183 PolarHBondContact O-N 2.98Å; K180-E183 PolarHBondContact O-N 3.42Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 2.97Å; E183-E185 VanDerWaalsContact C-N 3.32Å; E183-E185 PolarHBondContact O-N 2.98Å; E183-A186 PolarHBondContact O-N 3.03Å; E183-N187 WeakPolarHBondContact O-CB 3.46Å; E183-N187 VanDerWaalsContact O-CG 3.29Å; E183-N187 PolarHBondContact O-N 3.01Å; E183-N187 PolarHBondContact O-ND2 3.16Å
184D97.9Very high97.3Very high70 Ų70111.8 Ų111.837%0.37452%0.521SS..Hα-helixtrans-59.9-42.2176.5-72.2-26.9000111.5K180 R181 N187 K188K180-D184 VanDerWaalsContact O-CG 3.31Å; K180-D184 PolarHBondContact O-N 3.34Å; R181-D184 PolarHBondContact O-N 3.23Å; D184-N187 PolarHBondContact O-N 3.42Å; D184-K188 VanDerWaalsContact O-CG 3.26Å; D184-K188 WeakPolarHBondContact O-CG 3.41Å; D184-K188 PolarHBondContact O-N 3.35Å
185E97.6Very high97.3Very high111 Ų111115 Ų11552%0.51953%0.529SS..Hα-helixtrans-63.9-45.6174.8-74.4171-165.600112R181 M182 E183 N187 K188 I189R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 VanDerWaalsContact O-CG 3.29Å; R181-E185 WeakPolarHBondContact O-CG 3.32Å; R181-E185 PolarHBondContact O-N 3.04Å; M182-E185 PolarHBondContact O-N 3.26Å; E183-E185 VanDerWaalsContact C-N 3.32Å; E183-E185 PolarHBondContact O-N 2.98Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.09Å; E185-K188 PolarHBondContact O-N 3.42Å; E185-I189 WeakPolarHBondContact O-CG1 3.4Å; E185-I189 PolarHBondContact O-N 3.29Å
186A97.9Very high97.1Very high49 Ų49114.9 Ų114.941%0.40554%0.536SS..Hα-helixtrans-61.8-39176.700000112.1M182 E183 I189 R190M182-A186 WeakPolarHBondContact O-CB 3.45Å; M182-A186 PolarHBondContact O-N 3.07Å; E183-A186 PolarHBondContact O-N 3.03Å; A186-I189 PolarHBondContact O-N 3.45Å; A186-R190 WeakPolarHBondContact O-CB 3.42Å; A186-R190 PolarHBondContact O-N 3.01Å
187N98.1Very high96.9Very high71 Ų71113.8 Ų113.838%0.3853%0.534SS..Hα-helixtrans-66.4-42.6176-74.6-27.5000111.9E183 D184 E185 R190 Q191E183-N187 WeakPolarHBondContact O-CB 3.46Å; E183-N187 VanDerWaalsContact O-CG 3.29Å; E183-N187 PolarHBondContact O-N 3.01Å; E183-N187 PolarHBondContact O-ND2 3.16Å; D184-N187 PolarHBondContact O-N 3.42Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.09Å; N187-R190 WeakPolarHBondContact O-CB 3.46Å; N187-R190 PolarHBondContact O-N 3.01Å; N187-Q191 PolarHBondContact O-N 3.11Å
188K98Very high96.6Very high126 Ų126118 Ų11855%0.54855%0.551SS.*Hα-helixtrans-59.9-45.9173.1-72.5166.8-173.1170.80111.6D184 E185 R190 Q191 I192D184-K188 VanDerWaalsContact O-CG 3.26Å; D184-K188 WeakPolarHBondContact O-CG 3.41Å; D184-K188 PolarHBondContact O-N 3.35Å; E185-K188 PolarHBondContact O-N 3.42Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 3.22Å; K188-Q191 PolarHBondContact O-N 3.5Å; K188-I192 VanDerWaalsContact O-CG1 3.31Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 2.74Å
189I97.3Very high96.2Very high85 Ų85120.6 Ų120.644%0.43657%0.566SS.*Hα-helixtrans-60.8-41.4176.4-68.3166.6000110.6E185 A186 Q191 I192 R193E185-I189 WeakPolarHBondContact O-CG1 3.4Å; E185-I189 PolarHBondContact O-N 3.29Å; A186-I189 PolarHBondContact O-N 3.45Å; I189-Q191 VanDerWaalsContact C-N 3.34Å; I189-Q191 PolarHBondContact O-N 3.05Å; I189-I192 PolarHBondContact O-N 3.47Å; I189-R193 HydrophobicContact CG2-CG 4.41Å; I189-R193 WeakPolarHBondContact O-CB 3.49Å; I189-R193 VanDerWaalsContact O-CG 3.27Å; I189-R193 WeakPolarHBondContact O-CG 3.35Å; I189-R193 PolarHBondContact O-N 3.12Å
190R97.4Very high95.9Very high176 Ų176121.9 Ų121.966%0.66458%0.581SS**Hα-helixtrans-62.1-41.8176.5-167.9-174.5-57.3-159.63.2111.8A186 N187 K188 R193 K194A186-R190 WeakPolarHBondContact O-CB 3.42Å; A186-R190 PolarHBondContact O-N 3.01Å; N187-R190 WeakPolarHBondContact O-CB 3.46Å; N187-R190 PolarHBondContact O-N 3.01Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 3.22Å; R190-R193 PolarHBondContact O-N 3.31Å; R190-K194 PolarHBondContact O-N 3.11Å
191Q97.1Very high95.6Very high113 Ų113123.4 Ų123.453%0.52859%0.59SS.*Hα-helixtrans-64.6-49.4176.1-179.3173.6-3.400111.6N187 K188 I189 R193 K194 E195N187-Q191 PolarHBondContact O-N 3.11Å; K188-Q191 PolarHBondContact O-N 3.5Å; I189-Q191 VanDerWaalsContact C-N 3.34Å; I189-Q191 PolarHBondContact O-N 3.05Å; Q191-R193 VanDerWaalsContact C-N 3.27Å; Q191-R193 PolarHBondContact O-N 2.9Å; Q191-K194 WeakPolarHBondContact O-CA 3.35Å; Q191-K194 WeakPolarHBondContact O-CB 3.39Å; Q191-K194 PolarHBondContact O-N 3.29Å; Q191-E195 HydrophobicContact CG-CG 4.49Å; Q191-E195 VanDerWaalsContact CG-OE1 3.26Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.39Å; Q191-E195 PolarHBondContact NE2-OE1 3.43Å; Q191-E195 WeakPolarHBondContact O-CG 3.46Å; Q191-E195 PolarHBondContact O-N 3.06Å
192I97.3Very high95.5Very high99 Ų99121.4 Ų121.451%0.50860%0.597SS.*Hα-helixtrans-57.1-43.7176.8-68.1165.9000110.6K188 I189 K194 E195 S196K188-I192 VanDerWaalsContact O-CG1 3.31Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 2.74Å; I189-I192 PolarHBondContact O-N 3.47Å; I192-K194 PolarHBondContact O-N 3.38Å; I192-E195 PolarHBondContact O-N 2.94Å; I192-S196 VanDerWaalsContact O-CB 3.31Å; I192-S196 WeakPolarHBondContact O-CB 3.46Å; I192-S196 PolarHBondContact O-N 3.47Å; I192-S196 PolarHBondContact O-OG 2.86Å
193R96.3Very high95.3Very high178 Ų178123.9 Ų123.967%0.67261%0.611SS**Hα-helixtrans-58.8-46.9175.5-77.5176.1-179.7169.51.8111.2I189 R190 Q191 E195 S196 V197I189-R193 HydrophobicContact CG2-CG 4.41Å; I189-R193 WeakPolarHBondContact O-CB 3.49Å; I189-R193 VanDerWaalsContact O-CG 3.27Å; I189-R193 WeakPolarHBondContact O-CG 3.35Å; I189-R193 PolarHBondContact O-N 3.12Å; R190-R193 PolarHBondContact O-N 3.31Å; Q191-R193 VanDerWaalsContact C-N 3.27Å; Q191-R193 PolarHBondContact O-N 2.9Å; R193-E195 VanDerWaalsContact C-N 3.34Å; R193-E195 PolarHBondContact O-N 3.3Å; R193-S196 PolarHBondContact O-N 3.49Å; R193-V197 WeakPolarHBondContact O-CG2 3.3Å; R193-V197 PolarHBondContact O-N 3.33Å; R193-V197 VanDerWaalsContact O-N 3.1Å
194K95.5Very high95.1Very high172 Ų172126.5 Ų126.575%0.74862%0.616SS**Hα-helixtrans-60.6-41.5178.4-175.2-178.3178.4-177.10112.3R190 Q191 I192 V197R190-K194 PolarHBondContact O-N 3.11Å; Q191-K194 WeakPolarHBondContact O-CA 3.35Å; Q191-K194 WeakPolarHBondContact O-CB 3.39Å; Q191-K194 PolarHBondContact O-N 3.29Å; I192-K194 PolarHBondContact O-N 3.38Å; K194-V197 PolarHBondContact O-N 2.66Å
195E94.2Very high94.9Very high132 Ų132135 Ų13562%0.61764%0.643SS**Hα-helixtrans-70.8-34.4178.4-69.9170.6-172.600112.1Q191 I192 R193 V197Q191-E195 HydrophobicContact CG-CG 4.49Å; Q191-E195 VanDerWaalsContact CG-OE1 3.26Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.39Å; Q191-E195 PolarHBondContact NE2-OE1 3.43Å; Q191-E195 WeakPolarHBondContact O-CG 3.46Å; Q191-E195 PolarHBondContact O-N 3.06Å; I192-E195 PolarHBondContact O-N 2.94Å; R193-E195 VanDerWaalsContact C-N 3.34Å; R193-E195 PolarHBondContact O-N 3.3Å; E195-V197 VanDerWaalsContact C-N 3.31Å; E195-V197 PolarHBondContact O-N 3.32Å
196S93.9Very high94.7Very high68 Ų68137.9 Ų137.948%0.47665%0.65SS.*Hα-helixtrans-77.5-13.3177.8-550000113.5I192 R193 H198I192-S196 VanDerWaalsContact O-CB 3.31Å; I192-S196 WeakPolarHBondContact O-CB 3.46Å; I192-S196 PolarHBondContact O-N 3.47Å; I192-S196 PolarHBondContact O-OG 2.86Å; R193-S196 PolarHBondContact O-N 3.49Å; S196-H198 PolarHBondContact O-CE1 3.33Å; S196-H198 PolarHBondContact O-N 3.27Å; S196-H198 PolarHBondContact O-ND1 3.33Å; S196-H198 VanDerWaalsContact O-ND1 3.16Å
197V94.1Very high94.3Very high97 Ų97145 Ų14559%0.58867%0.672SS**SBendtrans-70.1100.8174.5-177.50000109R193 K194 E195 K199R193-V197 WeakPolarHBondContact O-CG2 3.3Å; R193-V197 PolarHBondContact O-N 3.33Å; R193-V197 VanDerWaalsContact O-N 3.1Å; K194-V197 PolarHBondContact O-N 2.66Å; E195-V197 VanDerWaalsContact C-N 3.31Å; E195-V197 PolarHBondContact O-N 3.32Å; V197-K199 PolarHBondContact O-N 2.99Å
198H90.7Very high93.8Very high178 Ų178148.4 Ų148.482%0.82470%0.696SS**PPolyproline II helixtrans-56.8124.3172.7-51.283.8000110.2S196S196-H198 PolarHBondContact O-CE1 3.33Å; S196-H198 PolarHBondContact O-N 3.27Å; S196-H198 PolarHBondContact O-ND1 3.33Å; S196-H198 VanDerWaalsContact O-ND1 3.16Å
199K89Confident93.3Very high188 Ų188150.2 Ų150.282%0.81771%0.709SS**PPolyproline II helixtrans-87.7134.3170.4-63.3-177.8-177.3178.20108.1V197 E201V197-K199 PolarHBondContact O-N 2.99Å; K199-E201 PolarHBondContact O-N 3.45Å
200P91.8Very high92.6Very high125 Ų125155.9 Ų155.981%0.81273%0.731SS**PPolyproline II helixtrans-59.3133.8176.426.1-33.4000109
201E90.7Very high91.9Very high165 Ų165152.5 Ų152.577%0.77173%0.734SS**PPolyproline II helixtrans-61.8142.6171.4-67.4-173.9173.800109.3K199 I203K199-E201 PolarHBondContact O-N 3.45Å; E201-I203 PolarHBondContact O-N 2.89Å
202P95.4Very high91Very high118 Ų118152.7 Ų152.777%0.76675%0.746SS**PPolyproline II helixtrans-58.1138.7174.525.6-33.4000109.5R204P202-R204 PolarHBondContact O-N 2.96Å
203I92.8Very high90.1Very high160 Ų160153.7 Ų153.782%0.82176%0.756SS**PPolyproline II helixtrans-55.4118.1179.9-58.5173.7000108.7E201 R205E201-I203 PolarHBondContact O-N 2.89Å; I203-R205 PolarHBondContact O-N 3.27Å; I203-R205 VanDerWaalsContact O-N 3.14Å
204R94Very high89.2Confident175 Ų175157.1 Ų157.166%0.6677%0.769SS**PPolyproline II helixtrans-63.4116.8-178.3-63.8179.174.4-175.65.3109.1P202 Y206P202-R204 PolarHBondContact O-N 2.96Å; R204-Y206 HydrophobicContact CB-CE1 4.43Å; R204-Y206 HydrophobicContact CB-CE2 3.92Å; R204-Y206 WeakPolarHBondContact O-CD2 3.38Å; R204-Y206 WeakPolarHBondContact O-CE2 3.4Å; R204-Y206 PolarHBondContact O-N 3.15Å
205R94.1Very high88.5Confident248 Ų248157.3 Ų157.394%0.93677%0.77SS**  trans-85107.2173.3-58.6-177.186.2-170.76.7108.4I203I203-R205 PolarHBondContact O-N 3.27Å; I203-R205 VanDerWaalsContact O-N 3.14Å
206Y92.3Very high87.9Confident172 Ų172156.1 Ų156.168%0.67577%0.774SS**  trans-81.1150.9176.2-60.6-80.8000110.8R204 T208R204-Y206 HydrophobicContact CB-CE1 4.43Å; R204-Y206 HydrophobicContact CB-CE2 3.92Å; R204-Y206 WeakPolarHBondContact O-CD2 3.38Å; R204-Y206 WeakPolarHBondContact O-CE2 3.4Å; R204-Y206 PolarHBondContact O-N 3.15Å; Y206-T208 PolarHBondContact O-N 3.29Å
207K90.8Very high87.4Confident198 Ų198158.7 Ų158.786%0.86179%0.789SS**  trans-61.1136.1170-64.7-178.4179.6-1790108.5I209K207-I209 PolarHBondContact O-N 3.42Å; K207-I209 VanDerWaalsContact O-N 3.08Å
208T87.8Confident87Confident144 Ų144160.5 Ų160.588%0.88380%0.8SS**  trans-61.2114.1173.342.30000108.9Y206Y206-T208 PolarHBondContact O-N 3.29Å
209I87.1Confident86.7Confident163 Ų163157.5 Ų157.584%0.83679%0.794SS**PPolyproline II helixtrans-71.6130.6171.234.3171.6000108.2K207 S211K207-I209 PolarHBondContact O-N 3.42Å; K207-I209 VanDerWaalsContact O-N 3.08Å; I209-S211 PolarHBondContact O-N 2.99Å
210K83.1Confident86.6Confident204 Ų204154.4 Ų154.489%0.88779%0.793SS**PPolyproline II helixtrans-60.2123.2171-69-176.3179.2-178.60107.4
211S81.6Confident86.1Confident105 Ų105157.7 Ų157.773%0.73480%0.795SS**PPolyproline II helixtrans-57.1133.8170.244.20000108.4I209 T213I209-S211 PolarHBondContact O-N 2.99Å; S211-T213 PolarHBondContact O-N 3.37Å
212P78.8Confident85.7Confident118 Ų118154.8 Ų154.877%0.76679%0.793SS**PPolyproline II helixtrans-57.9131175.824-31.9000107.9R214P212-R214 PolarHBondContact O-N 2.7Å
213T77.5Confident85.1Confident119 Ų119154.3 Ų154.373%0.7379%0.79SS**PPolyproline II helixtrans-52132.2170.935.50000108S211 K215S211-T213 PolarHBondContact O-N 3.37Å; T213-K215 PolarHBondContact O-N 3.23Å
214R78Confident84.2Confident251 Ų251152.7 Ų152.795%0.94779%0.787SS**  trans-62.684.5178.6-69.4-175.2178.5-152.60.5108.6P212P212-R214 PolarHBondContact O-N 2.7Å
215K79.9Confident82.9Confident176 Ų176151.4 Ų151.477%0.76579%0.792SS**PPolyproline II helixtrans-62.1133.1166.8-67.2-176.3-178.6179.20106.1T213T213-K215 PolarHBondContact O-N 3.23Å
216P83.3Confident81.5Confident107 Ų107144.3 Ų144.370%0.69578%0.781SS**PPolyproline II helixtrans-56.4145177.224.5-33.2000109.3T218P216-T218 PolarHBondContact O-N 3.04Å
217P83.4Confident80Confident122 Ų122142 Ų14279%0.79279%0.785SS**PPolyproline II helixtrans-53.2127.6179.220.3-30.4000109.7V219P217-V219 PolarHBondContact O-N 3.27Å; P217-V219 VanDerWaalsContact O-N 3.12Å
218T85Confident78.2Confident135 Ų135139 Ų13983%0.82878%0.777SS**  trans-65.8114.1179.8-54.60000108.7P216 P220P216-T218 PolarHBondContact O-N 3.04Å; T218-P220 WeakPolarHBondContact O-CD 3.43Å
219V83.7Confident76.7Confident115 Ų115144.1 Ų144.170%0.69778%0.781SS**PPolyproline II helixtrans-67.2120.3174-178.10000107.8P217 K221P217-V219 PolarHBondContact O-N 3.27Å; P217-V219 VanDerWaalsContact O-N 3.12Å; V219-K221 PolarHBondContact O-N 3.01Å
220P87.2Confident75Confident123 Ų123144.1 Ų144.180%0.79977%0.774SS**PPolyproline II helixtrans-63.7123.5179.426.5-33.4000109.4T218T218-P220 WeakPolarHBondContact O-CD 3.43Å
221K82.5Confident73.6Confident193 Ų193145.2 Ų145.284%0.83977%0.773SS**PPolyproline II helixtrans-103.5119.2171.3-69-175.7177.9-178.70108.3V219V219-K221 PolarHBondContact O-N 3.01Å
222S81.6Confident72.4Confident104 Ų104146.9 Ų146.973%0.72778%0.779SS**PPolyproline II helixtrans-64.7137172.253.40000110V224S222-V224 PolarHBondContact O-N 3.36Å
223P82.5Confident71.4Confident109 Ų109150.3 Ų150.371%0.70878%0.784SS**PPolyproline II helixtrans-60.9134.2175.325.7-33.2000110.4L225P223-L225 PolarHBondContact O-N 3.05Å; P223-L225 VanDerWaalsContact O-N 3.12Å
224V74.1Confident70.4Confident126 Ų126153.4 Ų153.476%0.76479%0.788SS**  trans-77.397.4177.5178.30000108.3S222 S226S222-V224 PolarHBondContact O-N 3.36Å; V224-S226 PolarHBondContact O-N 3Å
225L66.5Low69.4Low147 Ų147149.6 Ų149.677%0.7778%0.78SS**  trans-80.166.3171.4-61.1177.2000109.7P223 T227P223-L225 PolarHBondContact O-N 3.05Å; P223-L225 VanDerWaalsContact O-N 3.12Å; L225-T227 PolarHBondContact O-N 3.04Å
226S65.3Low67.8Low99 Ų99147.6 Ų147.669%0.69278%0.778SS**  trans-78.769.9173.354.60000110.5V224 L228V224-S226 PolarHBondContact O-N 3Å; S226-L228 PolarHBondContact O-N 2.79Å
227T59.6Low65.9Low124 Ų124149 Ų14976%0.76178%0.78SS**  trans-77.155.2168.949.90000111.1L225L225-T227 PolarHBondContact O-N 3.04Å
228L54.1Low64.3Low135 Ų135154.8 Ų154.871%0.70780%0.802SS**  trans-138.949176.6-121.492.9000112.9S226S226-L228 PolarHBondContact O-N 2.79Å
229R55.7Low63.2Low251 Ų251155.8 Ų155.895%0.94780%0.8SS**  trans-102.978.2144.6-76.8-164.6169.2-161.4-1.9109R231R229-R231 PolarHBondContact O-N 3.13Å
230K52.4Low62.2Low163 Ų163157.9 Ų157.971%0.70981%0.806SS**  trans-55.5127.6157.8-77.4176.8174.6176.10108.4
231R53.7Low60.8Low227 Ų227159.9 Ų159.986%0.85781%0.806SS**  trans57.1116137.8-62.2178.9159.8-175.6-7.6117.6R229R229-R231 PolarHBondContact O-N 3.13Å
232T56.5Low59.5Low140 Ų140157.9 Ų157.986%0.85980%0.804SS**  -142.896.7113.641.70000107.8K234T232-K234 PolarHBondContact O-N 3.07Å
233H56.3Low58.1Low190 Ų190161.3 Ų161.388%0.8881%0.809SS**  trans-69.4112166.6-133.9-73000105.6H235H233-H235 PolarHBondContact O-N 2.68Å; H233-H235 VanDerWaalsContact O-N 3.13Å
234K57.6Low56.5Low185 Ų185164.8 Ų164.880%0.80482%0.816SS**  trans-64.5110.4168.5-78.4-178.4173.5-177.60107.1T232 N236T232-K234 PolarHBondContact O-N 3.07Å; K234-N236 PolarHBondContact O-N 3.2Å
235H56Low55.2Low170 Ų170167.6 Ų167.679%0.78782%0.819SS**  trans-80.188.4168-173.5-55.8000107H233H233-H235 PolarHBondContact O-N 2.68Å; H233-H235 VanDerWaalsContact O-N 3.13Å
236N46.4Very low54.4Low135 Ų135169.2 Ų169.272%0.72282%0.823SS**  trans-101.7116.7158.4-83.51.6000105.1K234K234-N236 PolarHBondContact O-N 3.2Å
237D44.2Very low53.4Low136 Ų136175 Ų17573%0.72783%0.834SS**  trans173.3120.2142.9-82.2-19.4000108.8
238I48.9Very low52.9Low244 Ų244179.6 Ų179.6100%1.25184%0.841SS**  trans79.60169-45.9170.9000117.1

Retrieved 238 of 238 residues in 112.4 ms (Link to these results)