A0A5K4FCI9_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A5K4FCI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low46.7Very low254 Ų254149.9 Ų149.9100%1.25176%0.759SS**  0103.70-81.7169.1159.600108.7
2S44.5Very low47.2Very low122 Ų122145.6 Ų145.685%0.85374%0.74SS**  trans-120.199-178.7-168.80000108.9
3R45.7Very low47.7Very low245 Ų245141.6 Ų141.693%0.92572%0.721SS**  trans-153.783.8169.3-82.4-167170.8169.1-3.6108.5
4K50.9Low48.1Very low196 Ų196138.8 Ų138.885%0.85271%0.714SS**  trans-17156.5163.3-112.1175.6-174-175.60112.6
5F51.1Low48.6Very low174 Ų174139 Ų13976%0.76371%0.711SS**  trans-144.112.9168.4-88.2-68.2000116.1I8F5-I8 HydrophobicContact CD1-CD1 4.33Å; F5-I8 HydrophobicContact CE1-CD1 4.4Å
6T49.1Very low49.4Very low139 Ų139134.1 Ų134.185%0.85369%0.693SS**SBendtrans-93.4-1.2177.739.30000115.1
7H44.1Very low50.2Low155 Ų155136.5 Ų136.572%0.71869%0.691SS**SBendtrans-87.2-10.6-179.3-150.8-88.2000115
8I48.9Very low51.2Low92 Ų92136.2 Ų136.247%0.47269%0.685SS.*Hα-helixtrans-91.3-26.1-173.8-51.8178000112.2F5 G10 Q11F5-I8 HydrophobicContact CD1-CD1 4.33Å; F5-I8 HydrophobicContact CE1-CD1 4.4Å; I8-G10 VanDerWaalsContact C-N 3.27Å; I8-G10 PolarHBondContact O-N 2.76Å; I8-Q11 PolarHBondContact O-N 2.8Å
9V47.5Very low52.1Low110 Ų110130.6 Ų130.667%0.66766%0.664SS**Hα-helixtrans-71.5-23-178.7-178.60000112.3N13V9-N13 PolarHBondContact O-ND2 2.92Å
10G46.5Very low53Low43 Ų43130.4 Ų130.444%0.44366%0.661SS.*Hα-helixtrans-79.1-37.9175.700000113.8I8 N13 V14I8-G10 VanDerWaalsContact C-N 3.27Å; I8-G10 PolarHBondContact O-N 2.76Å; G10-N13 PolarHBondContact O-N 3.25Å; G10-V14 WeakPolarHBondContact O-CG2 3.4Å; G10-V14 PolarHBondContact O-N 3.18Å
11Q48.9Very low54Low119 Ų119128.5 Ų128.556%0.55666%0.656SS**Hα-helixtrans-72.3-38.8-167-150.2167.79.500112.7I8 N13 V14 E15I8-Q11 PolarHBondContact O-N 2.8Å; Q11-N13 VanDerWaalsContact C-N 3.25Å; Q11-N13 PolarHBondContact O-N 2.8Å; Q11-V14 PolarHBondContact O-N 3.38Å; Q11-V14 VanDerWaalsContact O-N 3.15Å; Q11-E15 PolarHBondContact O-N 3.49Å; Q11-E15 VanDerWaalsContact O-N 3.1Å
12N52.7Low55.7Low98 Ų98120.6 Ų120.652%0.52462%0.618SS.*Hα-helixtrans-65.8-28.5179.5-60.50.7000112.7S16N12-S16 PolarHBondContact O-N 3.33Å
13N53.9Low57.2Low94 Ų94117.8 Ų117.850%0.50359%0.593SS.*Hα-helixtrans-77.2-31.3176.5-70.8-28000112.2V9 G10 Q11 R17V9-N13 PolarHBondContact O-ND2 2.92Å; G10-N13 PolarHBondContact O-N 3.25Å; Q11-N13 VanDerWaalsContact C-N 3.25Å; Q11-N13 PolarHBondContact O-N 2.8Å; N13-R17 VanDerWaalsContact O-CB 3.29Å; N13-R17 WeakPolarHBondContact O-CB 3.49Å; N13-R17 WeakPolarHBondContact O-CD 3.43Å; N13-R17 WeakPolarHBondContact O-CG 3.29Å; N13-R17 PolarHBondContact O-N 3.33Å
14V52.5Low58.5Low102 Ų102111.3 Ų111.362%0.61858%0.576SS**Hα-helixtrans-72.3-41.7176.1-173.40000110G10 Q11 R17 F18G10-V14 WeakPolarHBondContact O-CG2 3.4Å; G10-V14 PolarHBondContact O-N 3.18Å; Q11-V14 PolarHBondContact O-N 3.38Å; Q11-V14 VanDerWaalsContact O-N 3.15Å; V14-R17 PolarHBondContact O-N 3.15Å; V14-F18 VanDerWaalsContact O-CB 3.28Å; V14-F18 WeakPolarHBondContact O-CB 3.25Å; V14-F18 PolarHBondContact O-N 3.49Å
15E55.7Low59.6Low142 Ų142104.9 Ų104.966%0.66456%0.555SS**Hα-helixtrans-67.2-41.9-179.3-164.7175.1173.100112.5Q11 F18 G19Q11-E15 PolarHBondContact O-N 3.49Å; Q11-E15 VanDerWaalsContact O-N 3.1Å; E15-F18 PolarHBondContact O-N 3.44Å; E15-G19 PolarHBondContact O-N 3Å
16S62.1Low60.8Low61 Ų61102.5 Ų102.543%0.42755%0.545SS..Hα-helixtrans-67.6-38.9176.383.70000112.3N12 F18 G19 Q20N12-S16 PolarHBondContact O-N 3.33Å; S16-F18 VanDerWaalsContact C-N 3.33Å; S16-G19 PolarHBondContact O-N 3.01Å; S16-Q20 WeakPolarHBondContact O-CB 3.42Å; S16-Q20 WeakPolarHBondContact O-CG 3.3Å; S16-Q20 PolarHBondContact O-N 3.47Å
17R62.5Low62.1Low175 Ų17599 Ų9966%0.6652%0.521SS*.Hα-helixtrans-66-37.1173.8-74.9178.9-179-150.50.6111.7N13 V14 Q20 T21N13-R17 VanDerWaalsContact O-CB 3.29Å; N13-R17 WeakPolarHBondContact O-CB 3.49Å; N13-R17 WeakPolarHBondContact O-CD 3.43Å; N13-R17 WeakPolarHBondContact O-CG 3.29Å; N13-R17 PolarHBondContact O-N 3.33Å; V14-R17 PolarHBondContact O-N 3.15Å; R17-Q20 PolarHBondContact O-N 2.87Å; R17-T21 WeakPolarHBondContact O-CB 3.24Å; R17-T21 PolarHBondContact O-N 3.26Å; R17-T21 PolarHBondContact O-OG1 3.16Å
18F67.4Low63.7Low131 Ų13196.3 Ų96.358%0.57551%0.511SS*.Hα-helixtrans-65.3-47.9177-173.5-103.4000110.9V14 E15 S16 Q20 T21 L22V14-F18 VanDerWaalsContact O-CB 3.28Å; V14-F18 WeakPolarHBondContact O-CB 3.25Å; V14-F18 PolarHBondContact O-N 3.49Å; E15-F18 PolarHBondContact O-N 3.44Å; S16-F18 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 2.97Å; F18-T21 PolarHBondContact O-N 3.12Å; F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CD1-CG 4.34Å; F18-L22 HydrophobicContact CE1-CD1 3.41Å; F18-L22 VanDerWaalsContact CE1-CD1 3.41Å; F18-L22 HydrophobicContact CE1-CG 4.06Å; F18-L22 HydrophobicContact CZ-CD1 3.96Å; F18-L22 HydrophobicContact CZ-CD2 4.36Å; F18-L22 HydrophobicContact CZ-CG 4.25Å; F18-L22 WeakPolarHBondContact O-CG 3.29Å; F18-L22 PolarHBondContact O-N 2.74Å
19G69.1Low65.1Low29 Ų29100.8 Ų100.830%0.29952%0.522SS..Hα-helixtrans-58.9-45.9174.700000112.6E15 S16 T21 L22 I23E15-G19 PolarHBondContact O-N 3Å; S16-G19 PolarHBondContact O-N 3.01Å; G19-T21 PolarHBondContact O-N 2.79Å; G19-L22 PolarHBondContact O-N 2.93Å; G19-I23 WeakPolarHBondContact O-CD1 3.5Å; G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.43Å; G19-I23 PolarHBondContact O-N 2.82Å
20Q69.2Low66.5Low127 Ų127100.9 Ų100.959%0.59351%0.513SS*.Hα-helixtrans-60.9-43174.6-77179.4-10.100112.4S16 R17 F18 L22 I23 L24S16-Q20 WeakPolarHBondContact O-CB 3.42Å; S16-Q20 WeakPolarHBondContact O-CG 3.3Å; S16-Q20 PolarHBondContact O-N 3.47Å; R17-Q20 PolarHBondContact O-N 2.87Å; F18-Q20 PolarHBondContact O-N 2.97Å; Q20-L22 VanDerWaalsContact C-N 3.35Å; Q20-L22 PolarHBondContact O-N 3.37Å; Q20-I23 PolarHBondContact O-N 2.75Å; Q20-L24 WeakPolarHBondContact O-CB 3.48Å; Q20-L24 PolarHBondContact O-N 2.91Å
21T74.1Confident67.9Low90 Ų90102.8 Ų102.855%0.55251%0.513SS*.Hα-helixtrans-64.3-41178.9-55.30000111R17 F18 G19 L24 S25R17-T21 WeakPolarHBondContact O-CB 3.24Å; R17-T21 PolarHBondContact O-N 3.26Å; R17-T21 PolarHBondContact O-OG1 3.16Å; F18-T21 PolarHBondContact O-N 3.12Å; G19-T21 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact O-N 3.31Å; T21-S25 VanDerWaalsContact O-CB 3.32Å; T21-S25 WeakPolarHBondContact O-CB 3.34Å; T21-S25 PolarHBondContact O-N 3.21Å; T21-S25 PolarHBondContact O-OG 3.47Å
22L72.8Confident69.1Low88 Ų88100.6 Ų100.646%0.46151%0.508SS..Hα-helixtrans-62.9-45.6175-73.1-179.7000111.7F18 G19 Q20 L24 S25 F26F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CD1-CG 4.34Å; F18-L22 HydrophobicContact CE1-CD1 3.41Å; F18-L22 VanDerWaalsContact CE1-CD1 3.41Å; F18-L22 HydrophobicContact CE1-CG 4.06Å; F18-L22 HydrophobicContact CZ-CD1 3.96Å; F18-L22 HydrophobicContact CZ-CD2 4.36Å; F18-L22 HydrophobicContact CZ-CG 4.25Å; F18-L22 WeakPolarHBondContact O-CG 3.29Å; F18-L22 PolarHBondContact O-N 2.74Å; G19-L22 PolarHBondContact O-N 2.93Å; Q20-L22 VanDerWaalsContact C-N 3.35Å; Q20-L22 PolarHBondContact O-N 3.37Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.44Å; L22-S25 WeakPolarHBondContact CA-OG 3.49Å; L22-S25 PolarHBondContact O-N 2.82Å; L22-S25 PolarHBondContact O-OG 2.96Å; L22-F26 WeakPolarHBondContact O-CB 3.3Å; L22-F26 PolarHBondContact O-N 3.32Å
23I76.1Confident70.1Confident64 Ų6498.2 Ų98.233%0.32850%0.502SS..Hα-helixtrans-60.1-46.2176.4-68163.2000110.3G19 Q20 S25 F26 I27G19-I23 WeakPolarHBondContact O-CD1 3.5Å; G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.43Å; G19-I23 PolarHBondContact O-N 2.82Å; Q20-I23 PolarHBondContact O-N 2.75Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 2.77Å; I23-F26 WeakPolarHBondContact O-CB 3.3Å; I23-F26 PolarHBondContact O-N 3.47Å; I23-I27 HydrophobicContact CG2-CD1 3.73Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 3.2Å
24L73.2Confident71Confident109 Ų10995.7 Ų95.757%0.57149%0.487SS*.Hα-helixtrans-64.2-41.1179.6-145.5124.1000111Q20 T21 L22 F26 I27 L28Q20-L24 WeakPolarHBondContact O-CB 3.48Å; Q20-L24 PolarHBondContact O-N 2.91Å; T21-L24 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.44Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-F26 PolarHBondContact O-N 2.81Å; L24-I27 PolarHBondContact O-N 3.45Å; L24-L28 HydrophobicContact CD2-CD1 3.94Å; L24-L28 HydrophobicContact CD2-CG 4.48Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 3.19Å
25S74.1Confident72Confident60 Ų6095 Ų9542%0.4248%0.479SS..Hα-helixtrans-63-38.1174.577.70000112.3T21 L22 I23 L28 W29T21-S25 VanDerWaalsContact O-CB 3.32Å; T21-S25 WeakPolarHBondContact O-CB 3.34Å; T21-S25 PolarHBondContact O-N 3.21Å; T21-S25 PolarHBondContact O-OG 3.47Å; L22-S25 WeakPolarHBondContact CA-OG 3.49Å; L22-S25 PolarHBondContact O-N 2.82Å; L22-S25 PolarHBondContact O-OG 2.96Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 2.77Å; S25-L28 PolarHBondContact O-N 2.99Å; S25-W29 VanDerWaalsContact O-CB 3.3Å; S25-W29 WeakPolarHBondContact O-CB 3.3Å; S25-W29 PolarHBondContact O-N 2.84Å
26F75.6Confident73Confident125 Ų12593.2 Ų93.255%0.54847%0.473SS..Hα-helixtrans-69.9-40.9177.9-175.6-98.3000111.7L22 I23 L24 W29 K30L22-F26 WeakPolarHBondContact O-CB 3.3Å; L22-F26 PolarHBondContact O-N 3.32Å; I23-F26 WeakPolarHBondContact O-CB 3.3Å; I23-F26 PolarHBondContact O-N 3.47Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-F26 PolarHBondContact O-N 2.81Å; F26-W29 PolarHBondContact O-N 3.34Å; F26-K30 HydrophobicContact CD1-CG 4.34Å; F26-K30 HydrophobicContact CE1-CG 4.03Å; F26-K30 HydrophobicContact CZ-CG 4.3Å; F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 WeakPolarHBondContact O-CG 3.38Å; F26-K30 PolarHBondContact O-N 2.68Å
27I77.6Confident73.5Confident65 Ų6595.5 Ų95.533%0.33348%0.48SS..Hα-helixtrans-63.3-48.2174.2-67.7166000109.9I23 L24 W29 K30 L31I23-I27 HydrophobicContact CG2-CD1 3.73Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 3.2Å; L24-I27 PolarHBondContact O-N 3.45Å; I27-W29 VanDerWaalsContact C-N 3.33Å; I27-W29 PolarHBondContact O-N 2.74Å; I27-K30 PolarHBondContact O-N 3.44Å; I27-L31 VanDerWaalsContact O-CB 3.29Å; I27-L31 WeakPolarHBondContact O-CB 3.22Å; I27-L31 PolarHBondContact O-N 3.35Å
28L76.2Confident73.5Confident98 Ų9889.4 Ų89.451%0.51346%0.463SS..Hα-helixtrans-58.6-46177.1-74171.5000111L24 S25 K30 L31 T32L24-L28 HydrophobicContact CD2-CD1 3.94Å; L24-L28 HydrophobicContact CD2-CG 4.48Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 3.19Å; S25-L28 PolarHBondContact O-N 2.99Å; L28-K30 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 3.39Å; L28-L31 VanDerWaalsContact O-N 3.17Å; L28-T32 PolarHBondContact O-N 3.28Å; L28-T32 PolarHBondContact O-OG1 3.34Å
29W78.4Confident73.5Confident187 Ų18788.3 Ų88.371%0.70846%0.463SS*.Hα-helixtrans-59.5-46177-179.5-95.9000112.5S25 F26 I27 L31 T32 A33S25-W29 VanDerWaalsContact O-CB 3.3Å; S25-W29 WeakPolarHBondContact O-CB 3.3Å; S25-W29 PolarHBondContact O-N 2.84Å; F26-W29 PolarHBondContact O-N 3.34Å; I27-W29 VanDerWaalsContact C-N 3.33Å; I27-W29 PolarHBondContact O-N 2.74Å; W29-L31 VanDerWaalsContact C-N 3.3Å; W29-L31 PolarHBondContact O-N 2.87Å; W29-T32 PolarHBondContact O-N 2.79Å; W29-A33 WeakPolarHBondContact O-CB 3.21Å; W29-A33 PolarHBondContact O-N 3.3Å
30K78.7Confident73.5Confident112 Ų11290.3 Ų90.349%0.48747%0.472SS..Hα-helixtrans-59.9-41.5175.1-79.6-73.5-168.7175.90111.8F26 I27 L28 A33 Q34F26-K30 HydrophobicContact CD1-CG 4.34Å; F26-K30 HydrophobicContact CE1-CG 4.03Å; F26-K30 HydrophobicContact CZ-CG 4.3Å; F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 WeakPolarHBondContact O-CG 3.38Å; F26-K30 PolarHBondContact O-N 2.68Å; I27-K30 PolarHBondContact O-N 3.44Å; L28-K30 PolarHBondContact O-N 3.48Å; K30-A33 PolarHBondContact O-N 3.46Å; K30-Q34 PolarHBondContact O-N 3.2Å
31L75.2Confident73.2Confident83 Ų8386.6 Ų86.644%0.43546%0.456SS..Hα-helixtrans-71.3-39.8-178.4-156.8136.4000111.3I27 L28 W29 Q34 I35I27-L31 VanDerWaalsContact O-CB 3.29Å; I27-L31 WeakPolarHBondContact O-CB 3.22Å; I27-L31 PolarHBondContact O-N 3.35Å; L28-L31 PolarHBondContact O-N 3.39Å; L28-L31 VanDerWaalsContact O-N 3.17Å; W29-L31 VanDerWaalsContact C-N 3.3Å; W29-L31 PolarHBondContact O-N 2.87Å; L31-Q34 PolarHBondContact O-N 3.34Å; L31-I35 HydrophobicContact CD2-CD1 3.67Å; L31-I35 HydrophobicContact CD2-CG1 4.42Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.84Å
32T73.7Confident72.8Confident72 Ų7288.6 Ų88.644%0.44246%0.459SS..Hα-helixtrans-63.8-43.8172.1-52.10000111.4L28 W29 Q34 I35 I36L28-T32 PolarHBondContact O-N 3.28Å; L28-T32 PolarHBondContact O-OG1 3.34Å; W29-T32 PolarHBondContact O-N 2.79Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.21Å; T32-I35 PolarHBondContact O-N 2.84Å; T32-I36 HydrophobicContact CG2-CD1 3.91Å; T32-I36 HydrophobicContact CG2-CG1 4.44Å; T32-I36 VanDerWaalsContact O-CG1 3.27Å; T32-I36 WeakPolarHBondContact O-CG1 3.43Å; T32-I36 PolarHBondContact O-N 3.35Å
33A74.8Confident72.5Confident48 Ų4886.3 Ų86.340%0.39746%0.457SS..Hα-helixtrans-61.8-39175.500000111.8W29 K30 L37W29-A33 WeakPolarHBondContact O-CB 3.21Å; W29-A33 PolarHBondContact O-N 3.3Å; K30-A33 PolarHBondContact O-N 3.46Å; A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.29Å
34Q71.8Confident71.6Confident42 Ų4289 Ų8920%0.19647%0.468CS..Hα-helixtrans-63.9-46.5172.4-84.8178.1-27.400112K30 L31 T32 I36 L37 C38 T87K30-Q34 PolarHBondContact O-N 3.2Å; L31-Q34 PolarHBondContact O-N 3.34Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.21Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 3.05Å; Q34-L37 PolarHBondContact O-N 3.43Å; Q34-C38 WeakPolarHBondContact O-CB 3.42Å; Q34-C38 PolarHBondContact O-N 3.32Å; Q34-C38 PolarHBondContact O-SG 3.47Å; Q34-T87 VanDerWaalsContact NE2-CB 3.32Å; Q34-T87 PolarHBondContact NE2-OG1 3.36Å; Q34-T87 VanDerWaalsContact NE2-OG1 3.15Å
35I73.1Confident70.8Confident88 Ų8887.2 Ų87.245%0.45146%0.459SS..Hα-helixtrans-60.1-44.4177.6-69.4166.4000110.8L31 T32 L37 C38 L39L31-I35 HydrophobicContact CD2-CD1 3.67Å; L31-I35 HydrophobicContact CD2-CG1 4.42Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.84Å; T32-I35 PolarHBondContact O-N 2.84Å; I35-L37 VanDerWaalsContact C-N 3.35Å; I35-C38 WeakPolarHBondContact O-CB 3.49Å; I35-C38 PolarHBondContact O-N 3.33Å; I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.4Å; I35-L39 WeakPolarHBondContact O-CB 3.39Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.49Å
36I76.2Confident70.3Confident104 Ų10492.1 Ų92.153%0.53347%0.472SS..Hα-helixtrans-62.8-43.8177.1-66.8165.8000110.5T32 Q34 C38 L39 S40T32-I36 HydrophobicContact CG2-CD1 3.91Å; T32-I36 HydrophobicContact CG2-CG1 4.44Å; T32-I36 VanDerWaalsContact O-CG1 3.27Å; T32-I36 WeakPolarHBondContact O-CG1 3.43Å; T32-I36 PolarHBondContact O-N 3.35Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 3.05Å; I36-C38 VanDerWaalsContact C-N 3.35Å; I36-L39 PolarHBondContact O-N 3.25Å; I36-S40 WeakPolarHBondContact O-CB 3.35Å; I36-S40 PolarHBondContact O-N 3.28Å
37L72.8Confident69.9Low109 Ų10990.2 Ų90.257%0.57147%0.471SS*.Hα-helixtrans-61.9-44.2176.3-169.975000110.9A33 Q34 I35 S40 L41A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.29Å; Q34-L37 PolarHBondContact O-N 3.43Å; I35-L37 VanDerWaalsContact C-N 3.35Å; L37-S40 PolarHBondContact O-N 2.93Å; L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 PolarHBondContact O-N 2.89Å
38C64.3Low68.9Low47 Ų4792.7 Ų92.732%0.31848%0.484SS..Hα-helixtrans-60.5-45.6175.8-68.20000111.8Q34 I35 I36 L41 E42Q34-C38 WeakPolarHBondContact O-CB 3.42Å; Q34-C38 PolarHBondContact O-N 3.32Å; Q34-C38 PolarHBondContact O-SG 3.47Å; I35-C38 WeakPolarHBondContact O-CB 3.49Å; I35-C38 PolarHBondContact O-N 3.33Å; I36-C38 VanDerWaalsContact C-N 3.35Å; C38-L41 CarbonylContact O-C 3.48Å; C38-L41 WeakPolarHBondContact O-CB 3.49Å; C38-L41 PolarHBondContact O-N 3.23Å; C38-E42 WeakPolarHBondContact O-CB 3.29Å; C38-E42 PolarHBondContact O-N 3.42Å
39L66Low68.3Low108 Ų10894 Ų9457%0.56549%0.491SS*.Hα-helixtrans-63.7-42177.3-77.4162.1000111.6I35 I36 L41 E42 G43I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.4Å; I35-L39 WeakPolarHBondContact O-CB 3.39Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.49Å; I36-L39 PolarHBondContact O-N 3.25Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.45Å; L39-E42 PolarHBondContact O-N 2.96Å; L39-G43 PolarHBondContact O-N 3.45Å
40S69.5Low67.8Low70 Ų7090.6 Ų90.649%0.4949%0.487SS..Hα-helixtrans-62.8-39.5174.4-170.10000111.2I36 L37 H44I36-S40 WeakPolarHBondContact O-CB 3.35Å; I36-S40 PolarHBondContact O-N 3.28Å; L37-S40 PolarHBondContact O-N 2.93Å; S40-H44 PolarHBondContact O-N 2.86Å
41L63.1Low67.1Low50 Ų5088.2 Ų88.226%0.26248%0.484SS..Hα-helixtrans-69.7-39.5176.4-133.578.1000111.3L37 C38 L39 H44 L45 A80 L84L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 PolarHBondContact O-N 2.89Å; C38-L41 CarbonylContact O-C 3.48Å; C38-L41 WeakPolarHBondContact O-CB 3.49Å; C38-L41 PolarHBondContact O-N 3.23Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.45Å; L41-H44 CarbonylContact O-C 3.44Å; L41-H44 PolarHBondContact O-N 3.31Å; L41-L45 HydrophobicContact CB-CD1 4.46Å; L41-L45 HydrophobicContact CD2-CD1 4.17Å; L41-L45 HydrophobicContact CG-CD1 3.99Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 VanDerWaalsContact O-CD1 3.22Å; L41-L45 WeakPolarHBondContact O-CD1 3.27Å; L41-L45 PolarHBondContact O-N 3.12Å; L41-A80 HydrophobicContact CD2-CB 4.27Å; L41-L84 HydrophobicContact CD2-CD1 4.13Å
42E64.9Low66.3Low132 Ų13288.9 Ų88.962%0.61748%0.484SS*.Hα-helixtrans-66.3-39.4179.4-172.7165.7-176.100111.1C38 L39 H44 L45 K46C38-E42 WeakPolarHBondContact O-CB 3.29Å; C38-E42 PolarHBondContact O-N 3.42Å; L39-E42 PolarHBondContact O-N 2.96Å; E42-H44 VanDerWaalsContact C-N 3.35Å; E42-H44 PolarHBondContact O-N 3.22Å; E42-L45 PolarHBondContact O-N 3.43Å; E42-K46 VanDerWaalsContact O-CB 3.3Å; E42-K46 WeakPolarHBondContact O-CB 3Å; E42-K46 PolarHBondContact O-N 2.81Å
43G66.1Low65.6Low40 Ų4088.4 Ų88.441%0.41248%0.483SS..Hα-helixtrans-58.7-44.6169.800000112.5L39 T47L39-G43 PolarHBondContact O-N 3.45Å; G43-T47 PolarHBondContact O-N 3.15Å; G43-T47 VanDerWaalsContact O-N 3.16Å; G43-T47 PolarHBondContact O-OG1 3.43Å
44H59.1Low64.9Low119 Ų11992.5 Ų92.555%0.55149%0.494SS*.Hα-helixtrans-69.2-40.7174.5-85.4-35.3000113.3S40 L41 E42 K46 T47 L48S40-H44 PolarHBondContact O-N 2.86Å; L41-H44 CarbonylContact O-C 3.44Å; L41-H44 PolarHBondContact O-N 3.31Å; E42-H44 VanDerWaalsContact C-N 3.35Å; E42-H44 PolarHBondContact O-N 3.22Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 2.92Å; H44-T47 PolarHBondContact O-N 3.13Å; H44-L48 VanDerWaalsContact O-CB 3.3Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 WeakPolarHBondContact O-CG 3.34Å; H44-L48 PolarHBondContact O-N 3.43Å
45L56.2Low64.2Low73 Ų7392.8 Ų92.838%0.38250%0.501SS..Hα-helixtrans-63.3-41.5177.5-103.883.1000110.7L41 E42 L48 L49L41-L45 HydrophobicContact CB-CD1 4.46Å; L41-L45 HydrophobicContact CD2-CD1 4.17Å; L41-L45 HydrophobicContact CG-CD1 3.99Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 VanDerWaalsContact O-CD1 3.22Å; L41-L45 WeakPolarHBondContact O-CD1 3.27Å; L41-L45 PolarHBondContact O-N 3.12Å; E42-L45 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 PolarHBondContact O-N 3.48Å
46K63.3Low63.2Low162 Ų16292.6 Ų92.670%0.70450%0.501SS*.Hα-helixtrans-64.6-43.2177.7-167.6166.9-175.4170.20111.1E42 H44 L49 D50E42-K46 VanDerWaalsContact O-CB 3.3Å; E42-K46 WeakPolarHBondContact O-CB 3Å; E42-K46 PolarHBondContact O-N 2.81Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 2.92Å; K46-L49 PolarHBondContact O-N 2.93Å; K46-D50 VanDerWaalsContact O-CB 3.29Å; K46-D50 WeakPolarHBondContact O-CB 3.3Å; K46-D50 PolarHBondContact O-N 3.39Å
47T66Low62.3Low86 Ų8692.8 Ų92.853%0.52850%0.502SS..Hα-helixtrans-64.9-42.6175.9-50.60000111.8G43 H44 S51G43-T47 PolarHBondContact O-N 3.15Å; G43-T47 VanDerWaalsContact O-N 3.16Å; G43-T47 PolarHBondContact O-OG1 3.43Å; H44-T47 PolarHBondContact O-N 3.13Å; T47-S51 WeakPolarHBondContact O-CB 3.38Å; T47-S51 PolarHBondContact O-N 2.88Å; T47-S51 PolarHBondContact O-OG 3.46Å
48L58.3Low61.3Low116 Ų11691.5 Ų91.561%0.60750%0.498SS*.Hα-helixtrans-67.2-41.8177.4-74.5170000111.5H44 L45 S51 F52H44-L48 VanDerWaalsContact O-CB 3.3Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 WeakPolarHBondContact O-CG 3.34Å; H44-L48 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.45Å; L48-S51 CarbonylContact O-C 3.54Å; L48-S51 WeakPolarHBondContact O-CB 3.44Å; L48-S51 PolarHBondContact O-N 3.44Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 3.43Å
49L63Low60.7Low127 Ų12792.6 Ų92.667%0.66551%0.507SS*.Hα-helixtrans-68.2-38.9178.8-17266.6000111.3L45 K46 F52 S53L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 PolarHBondContact O-N 3.48Å; K46-L49 PolarHBondContact O-N 2.93Å; L49-F52 PolarHBondContact O-N 2.88Å; L49-S53 WeakPolarHBondContact O-CB 3.29Å; L49-S53 PolarHBondContact O-N 3.26Å
50D67.2Low59.9Low115 Ų11595 Ų9562%0.61552%0.515SS*.Hα-helixtrans-66-42.3174.2-161.439.1000111K46 F52 S53 Q54K46-D50 VanDerWaalsContact O-CB 3.29Å; K46-D50 WeakPolarHBondContact O-CB 3.3Å; K46-D50 PolarHBondContact O-N 3.39Å; D50-F52 VanDerWaalsContact C-N 3.25Å; D50-F52 PolarHBondContact O-N 2.96Å; D50-S53 WeakPolarHBondContact O-CB 3.17Å; D50-S53 PolarHBondContact O-N 2.87Å; D50-Q54 WeakPolarHBondContact O-CB 3.4Å; D50-Q54 PolarHBondContact O-N 3.17Å
51S63.7Low59.1Low61 Ų6197 Ų9743%0.42753%0.525SS..Hα-helixtrans-60.8-34.9171.4-56.90000112.1T47 L48 S55T47-S51 WeakPolarHBondContact O-CB 3.38Å; T47-S51 PolarHBondContact O-N 2.88Å; T47-S51 PolarHBondContact O-OG 3.46Å; L48-S51 CarbonylContact O-C 3.54Å; L48-S51 WeakPolarHBondContact O-CB 3.44Å; L48-S51 PolarHBondContact O-N 3.44Å; S51-S55 VanDerWaalsContact O-CB 3.3Å; S51-S55 WeakPolarHBondContact O-CB 3.4Å; S51-S55 PolarHBondContact O-N 3.43Å; S51-S55 PolarHBondContact O-OG 3.17Å
52F58.9Low58.4Low97 Ų9798.1 Ų98.143%0.42554%0.536SS..Hα-helixtrans-76.7-37.4178.7-148.5-87.9000112.7L48 L49 D50 Q54 S55 N56 V73L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 3.43Å; L49-F52 PolarHBondContact O-N 2.88Å; D50-F52 VanDerWaalsContact C-N 3.25Å; D50-F52 PolarHBondContact O-N 2.96Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-S55 WeakPolarHBondContact CA-OG 3.36Å; F52-S55 PolarHBondContact O-N 3.34Å; F52-S55 PolarHBondContact O-OG 2.95Å; F52-S55 VanDerWaalsContact O-OG 3.12Å; F52-N56 VanDerWaalsContact O-CB 3.24Å; F52-N56 WeakPolarHBondContact O-CB 3.24Å; F52-N56 PolarHBondContact O-N 3.15Å; F52-V73 HydrophobicContact CD2-CG1 4.2Å; F52-V73 HydrophobicContact CE2-CB 4.06Å; F52-V73 HydrophobicContact CE2-CG1 3.69Å; F52-V73 HydrophobicContact CE2-CG2 4.25Å
53S59Low57.3Low62 Ų6298 Ų9843%0.43454%0.54SS..Hα-helixtrans-56.8-49.6168.7155.90000109.8L49 D50 N56 I57L49-S53 WeakPolarHBondContact O-CB 3.29Å; L49-S53 PolarHBondContact O-N 3.26Å; D50-S53 WeakPolarHBondContact O-CB 3.17Å; D50-S53 PolarHBondContact O-N 2.87Å; S53-N56 PolarHBondContact O-N 2.87Å; S53-I57 VanDerWaalsContact O-CG1 3.3Å; S53-I57 WeakPolarHBondContact O-CG1 3.44Å; S53-I57 PolarHBondContact O-N 3.11Å; S53-I57 VanDerWaalsContact O-N 3.15Å
54Q59.8Low56.5Low134 Ų134101.2 Ų101.263%0.62656%0.556SS**Hα-helixtrans-65.3-44178.2-166.617548.300111.7D50 F52 N56 I57 V58D50-Q54 WeakPolarHBondContact O-CB 3.4Å; D50-Q54 PolarHBondContact O-N 3.17Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 3.05Å; Q54-I57 PolarHBondContact O-N 3.4Å; Q54-V58 VanDerWaalsContact O-CG2 3.25Å; Q54-V58 WeakPolarHBondContact O-CG2 3.5Å; Q54-V58 PolarHBondContact O-N 3.37Å
55S58.2Low55.9Low49 Ų49102.7 Ų102.734%0.34357%0.568SS.*Hα-helixtrans-65.8-38.4179.176.60000112.2S51 F52 I57 V58 S59S51-S55 VanDerWaalsContact O-CB 3.3Å; S51-S55 WeakPolarHBondContact O-CB 3.4Å; S51-S55 PolarHBondContact O-N 3.43Å; S51-S55 PolarHBondContact O-OG 3.17Å; F52-S55 WeakPolarHBondContact CA-OG 3.36Å; F52-S55 PolarHBondContact O-N 3.34Å; F52-S55 PolarHBondContact O-OG 2.95Å; F52-S55 VanDerWaalsContact O-OG 3.12Å; S55-I57 PolarHBondContact O-N 3.12Å; S55-V58 CarbonylContact O-C 3.6Å; S55-V58 PolarHBondContact O-N 2.95Å; S55-S59 VanDerWaalsContact O-CB 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.34Å; S55-S59 PolarHBondContact O-N 3.43Å; S55-S59 PolarHBondContact O-OG 2.96Å
56N51.8Low55.4Low84 Ų84107.5 Ų107.545%0.44959%0.589SS.*Hα-helixtrans-69.9-33.4179.2-161.833.3000112.1F52 S53 Q54 Q60F52-N56 VanDerWaalsContact O-CB 3.24Å; F52-N56 WeakPolarHBondContact O-CB 3.24Å; F52-N56 PolarHBondContact O-N 3.15Å; S53-N56 PolarHBondContact O-N 2.87Å; Q54-N56 PolarHBondContact O-N 3.05Å; N56-Q60 WeakPolarHBondContact O-CB 3.41Å; N56-Q60 WeakPolarHBondContact O-CG 3.44Å; N56-Q60 PolarHBondContact O-N 3.34Å
57I56.1Low54.7Low107 Ų107106.8 Ų106.855%0.54960%0.598SS.*Hα-helixtrans-67.7-43.2171.3-65.3166.1000110.3S53 Q54 S55 T61S53-I57 VanDerWaalsContact O-CG1 3.3Å; S53-I57 WeakPolarHBondContact O-CG1 3.44Å; S53-I57 PolarHBondContact O-N 3.11Å; S53-I57 VanDerWaalsContact O-N 3.15Å; Q54-I57 PolarHBondContact O-N 3.4Å; S55-I57 PolarHBondContact O-N 3.12Å; I57-T61 WeakPolarHBondContact O-CB 3.32Å; I57-T61 PolarHBondContact O-N 3.22Å; I57-T61 PolarHBondContact O-OG1 3.39Å
58V53.6Low53.8Low82 Ų82105 Ų10550%0.49760%0.597SS.*Hα-helixtrans-66.6-40.6177.6173.70000111.4Q54 S55 T61 S62Q54-V58 VanDerWaalsContact O-CG2 3.25Å; Q54-V58 WeakPolarHBondContact O-CG2 3.5Å; Q54-V58 PolarHBondContact O-N 3.37Å; S55-V58 CarbonylContact O-C 3.6Å; S55-V58 PolarHBondContact O-N 2.95Å; V58-T61 CarbonylContact O-C 3.56Å; V58-T61 PolarHBondContact O-N 2.92Å; V58-S62 WeakPolarHBondContact O-CB 3.45Å; V58-S62 PolarHBondContact O-N 3Å
59S50.1Low53.5Low71 Ų71104.9 Ų104.950%0.49760%0.597SS.*Hα-helixtrans-73-32.1178.8-64.30000113.6S55 T61 S62S55-S59 VanDerWaalsContact O-CB 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.34Å; S55-S59 PolarHBondContact O-N 3.43Å; S55-S59 PolarHBondContact O-OG 2.96Å; S59-T61 VanDerWaalsContact C-N 3.27Å; S59-S62 CarbonylContact O-C 3.51Å; S59-S62 VanDerWaalsContact O-O 3.13Å
60Q50.1Low53.1Low157 Ų157102.6 Ų102.673%0.73459%0.592SS**Hα-helixtrans-69.4-29.6169.8-79.9-175.622.400112.2N56N56-Q60 WeakPolarHBondContact O-CB 3.41Å; N56-Q60 WeakPolarHBondContact O-CG 3.44Å; N56-Q60 PolarHBondContact O-N 3.34Å
61T52.1Low52.3Low114 Ų114102.1 Ų102.170%0.69959%0.593SS**Hα-helixtrans-83.9-25.2177.9-46.30000111.9I57 V58 S59I57-T61 WeakPolarHBondContact O-CB 3.32Å; I57-T61 PolarHBondContact O-N 3.22Å; I57-T61 PolarHBondContact O-OG1 3.39Å; V58-T61 CarbonylContact O-C 3.56Å; V58-T61 PolarHBondContact O-N 2.92Å; S59-T61 VanDerWaalsContact C-N 3.27Å
62S48Very low51.7Low72 Ų72106.3 Ų106.350%0.50361%0.606SS.*SBendtrans-118.188.3176.9-710000111.1V58 S59V58-S62 WeakPolarHBondContact O-CB 3.45Å; V58-S62 PolarHBondContact O-N 3Å; S59-S62 CarbonylContact O-C 3.51Å; S59-S62 VanDerWaalsContact O-O 3.13Å
63N43.6Very low51.2Low131 Ų131104.9 Ų104.970%0.70161%0.605SS**  trans86.6106150.1-60.4-12.6000118.7
64S48.7Very low50.9Low107 Ų107109.4 Ų109.475%0.74862%0.617SS**SBend-29.6130.4126.850.20000112.3
65N46.2Very low50.5Low149 Ų149106 Ų10680%0.79761%0.611SS**  trans84.179.3-177-54.9-16.7000114.7
66E44.9Very low50.3Low174 Ų174109.5 Ų109.581%0.81363%0.626SS**  trans-176.891132-101.5173.6-165.100109.8G68E66-G68 PolarHBondContact O-N 2.92Å
67T48.6Very low50.3Low147 Ų147110.7 Ų110.790%0.90263%0.632SS**THydrogen-bonded Turntrans-74.326.4176.3-46.90000112.4
68G47.9Very low50.3Low49 Ų49110 Ų11051%0.50563%0.632SS.*THydrogen-bonded Turntrans-90.3-29.1-163.200000117.6E66E66-G68 PolarHBondContact O-N 2.92Å
69N52.4Low50.3Low114 Ų114115 Ų11561%0.6164%0.643SS**SBendtrans-124.14-152.7-47.47.4000114.3T71N69-T71 PolarHBondContact O-N 3.4Å
70S53.6Low50.6Low79 Ų79113 Ų11355%0.55263%0.631SS**Hα-helixtrans-80.2-11.6-172.457.80000114.9
71T50.2Low50.9Low105 Ų105109.3 Ų109.364%0.64462%0.619SS**Hα-helixtrans-80.9-36.2178.530.90000113.3N69 V73 K74 A75N69-T71 PolarHBondContact O-N 3.4Å; T71-V73 PolarHBondContact O-N 3.44Å; T71-K74 PolarHBondContact O-N 2.7Å; T71-A75 PolarHBondContact O-N 2.82Å
72E51.9Low51.3Low148 Ų148109.1 Ų109.169%0.69261%0.609SS**Hα-helixtrans-64.6-39.6-177.9-76.8-170147.600112.6A75 L76E72-A75 WeakPolarHBondContact O-CB 3.32Å; E72-A75 PolarHBondContact O-N 3.46Å; E72-L76 PolarHBondContact O-N 3.37Å
73V49.3Very low51.8Low67 Ų67108.7 Ų108.741%0.40661%0.605SS.*Hα-helixtrans-75.1-32.4-176.5-163.90000112.2F52 T71 A75 L76 L77F52-V73 HydrophobicContact CD2-CG1 4.2Å; F52-V73 HydrophobicContact CE2-CB 4.06Å; F52-V73 HydrophobicContact CE2-CG1 3.69Å; F52-V73 HydrophobicContact CE2-CG2 4.25Å; T71-V73 PolarHBondContact O-N 3.44Å; V73-A75 VanDerWaalsContact C-N 3.28Å; V73-A75 PolarHBondContact O-N 3.29Å; V73-L76 PolarHBondContact O-N 2.86Å; V73-L77 PolarHBondContact O-N 3.5Å
74K51.5Low52.7Low157 Ų157105.7 Ų105.768%0.68359%0.588SS**Hα-helixtrans-63.6-36172.9-72.9-176.9179.1177.80111.5T71 V78T71-K74 PolarHBondContact O-N 2.7Å; K74-V78 WeakPolarHBondContact O-CG2 3.36Å; K74-V78 PolarHBondContact O-N 2.85Å
75A52.5Low53.5Low62 Ų62107 Ų10751%0.51258%0.576SS.*Hα-helixtrans-66.3-37.7176.300000112.4T71 E72 V73 L77 V78 Y79T71-A75 PolarHBondContact O-N 2.82Å; E72-A75 WeakPolarHBondContact O-CB 3.32Å; E72-A75 PolarHBondContact O-N 3.46Å; V73-A75 VanDerWaalsContact C-N 3.28Å; V73-A75 PolarHBondContact O-N 3.29Å; A75-L77 PolarHBondContact O-N 3.46Å; A75-V78 PolarHBondContact O-N 3.32Å; A75-Y79 PolarHBondContact O-N 2.88Å
76L52.6Low54.6Low123 Ų123102.3 Ų102.364%0.64455%0.553SS**Hα-helixtrans-61.9-41.1177.3-103.7161.6000113E72 V73 Y79 A80E72-L76 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 2.86Å; L76-Y79 PolarHBondContact O-N 3.18Å; L76-A80 PolarHBondContact O-N 3.45Å
77L52.3Low55.7Low110 Ų11096.8 Ų96.858%0.57653%0.532SS*.Hα-helixtrans-68.5-38.8178.5-163.1133.8000111.8V73 A75 Y79 A80 V81V73-L77 PolarHBondContact O-N 3.5Å; A75-L77 PolarHBondContact O-N 3.46Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 2.67Å; L77-A80 PolarHBondContact O-N 2.86Å; L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 3.47Å
78V55.6Low56.7Low93 Ų9394.4 Ų94.456%0.56451%0.512SS*.Hα-helixtrans-62.8-38.7172.7176.20000110.8K74 A75 A80 V81 F82K74-V78 WeakPolarHBondContact O-CG2 3.36Å; K74-V78 PolarHBondContact O-N 2.85Å; A75-V78 PolarHBondContact O-N 3.32Å; V78-A80 PolarHBondContact O-N 3.02Å; V78-V81 PolarHBondContact O-N 3.36Å; V78-F82 PolarHBondContact O-N 2.98Å; V78-F82 VanDerWaalsContact O-N 3.13Å
79Y54.2Low57.9Low185 Ų18595.2 Ų95.273%0.72551%0.506SS*.Hα-helixtrans-66.6-34.5177.7-160.7-97000112.8A75 L76 L77 P83A75-Y79 PolarHBondContact O-N 2.88Å; L76-Y79 PolarHBondContact O-N 3.18Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 2.67Å; Y79-P83 WeakPolarHBondContact O-CD 3.27Å
80A56.4Low58.9Low30 Ų3093.5 Ų93.525%0.24850%0.5CS..Hα-helixtrans-73.1-33.4177.700000113.5L41 L76 L77 V78 P83L41-A80 HydrophobicContact CD2-CB 4.27Å; L76-A80 PolarHBondContact O-N 3.45Å; L77-A80 PolarHBondContact O-N 2.86Å; V78-A80 PolarHBondContact O-N 3.02Å; A80-P83 WeakPolarHBondContact O-CD 3.34Å; A80-P83 WeakPolarHBondContact O-CG 3.35Å
81V56.8Low59.6Low79 Ų7991.6 Ų91.648%0.47949%0.486SS..Hα-helixtrans-77.5-24.5176.5179.80000111.5L77 V78 L84 W85L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 3.47Å; V78-V81 PolarHBondContact O-N 3.36Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.32Å; V81-L84 VanDerWaalsContact O-N 3.15Å; V81-W85 PolarHBondContact O-N 3.34Å
82F59.6Low60.6Low111 Ų11191.9 Ų91.949%0.48748%0.483SS..Hα-helixtrans-59.1-44.1-177.9-143.1-94.9000115.9V78 L84 W85 T86V78-F82 PolarHBondContact O-N 2.98Å; V78-F82 VanDerWaalsContact O-N 3.13Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 2.96Å; F82-W85 VanDerWaalsContact C-CD1 3.48Å; F82-W85 VanDerWaalsContact CA-CD1 3.43Å; F82-W85 AromaticContact CD1-NE1 3.73Å; F82-W85 HydrophobicContact CD2-CZ2 4.4Å; F82-W85 AromaticContact CD2-NE1 3.43Å; F82-W85 AromaticContact CE1-CZ2 3.96Å; F82-W85 HydrophobicContact CE1-CZ2 3.96Å; F82-W85 AromaticContact CE1-NE1 4Å; F82-W85 AromaticContact CE2-CZ2 3.78Å; F82-W85 HydrophobicContact CE2-CZ2 3.78Å; F82-W85 AromaticContact CE2-NE1 3.71Å; F82-W85 AromaticContact CG-NE1 3.46Å; F82-W85 AromaticContact CZ-CZ2 3.55Å; F82-W85 HydrophobicContact CZ-CZ2 3.55Å; F82-W85 PolarHBondContact O-NE1 3.43Å; F82-T86 HydrophobicContact CD1-CG2 4.23Å; F82-T86 HydrophobicContact CE1-CG2 4.22Å; F82-T86 WeakPolarHBondContact O-CG2 3.37Å; F82-T86 PolarHBondContact O-N 3.25Å; F82-T86 PolarHBondContact O-OG1 3.17Å
83P59.6Low61.6Low63 Ų6389.8 Ų89.841%0.40948%0.476SS..Hα-helixtrans-68.8-25.5175.722.8-31.6000112.9Y79 A80 T86 T87Y79-P83 WeakPolarHBondContact O-CD 3.27Å; A80-P83 WeakPolarHBondContact O-CD 3.34Å; A80-P83 WeakPolarHBondContact O-CG 3.35Å; P83-T86 WeakPolarHBondContact CA-OG1 3.26Å; P83-T86 PolarHBondContact O-OG1 3.46Å; P83-T86 VanDerWaalsContact O-OG1 3.12Å; P83-T87 WeakPolarHBondContact O-CB 3.32Å; P83-T87 WeakPolarHBondContact O-CG2 3.22Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-T87 VanDerWaalsContact O-N 3.11Å; P83-T87 PolarHBondContact O-OG1 3.02Å
84L62.3Low62.6Low67 Ų6790.5 Ų90.535%0.35148%0.477SS..Hα-helixtrans-68-49.1-178.3-103.7148.5000112.2L41 V81 F82 T87 M88L41-L84 HydrophobicContact CD2-CD1 4.13Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.32Å; V81-L84 VanDerWaalsContact O-N 3.15Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 2.96Å; L84-T87 PolarHBondContact O-OG1 2.9Å; L84-T87 VanDerWaalsContact O-OG1 3.05Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 2.87Å; L84-M88 VanDerWaalsContact O-N 3.17Å
85W65.3Low63.4Low134 Ų13486 Ų8651%0.50846%0.462SS..Hα-helixtrans-72.9-38.9-18076.2-74.2000112.3V81 F82 T87 M88 V89V81-W85 PolarHBondContact O-N 3.34Å; F82-W85 VanDerWaalsContact C-CD1 3.48Å; F82-W85 VanDerWaalsContact CA-CD1 3.43Å; F82-W85 AromaticContact CD1-NE1 3.73Å; F82-W85 HydrophobicContact CD2-CZ2 4.4Å; F82-W85 AromaticContact CD2-NE1 3.43Å; F82-W85 AromaticContact CE1-CZ2 3.96Å; F82-W85 HydrophobicContact CE1-CZ2 3.96Å; F82-W85 AromaticContact CE1-NE1 4Å; F82-W85 AromaticContact CE2-CZ2 3.78Å; F82-W85 HydrophobicContact CE2-CZ2 3.78Å; F82-W85 AromaticContact CE2-NE1 3.71Å; F82-W85 AromaticContact CG-NE1 3.46Å; F82-W85 AromaticContact CZ-CZ2 3.55Å; F82-W85 HydrophobicContact CZ-CZ2 3.55Å; F82-W85 PolarHBondContact O-NE1 3.43Å; W85-T87 VanDerWaalsContact C-N 3.31Å; W85-T87 PolarHBondContact O-N 3.47Å; W85-M88 WeakPolarHBondContact O-CB 3.28Å; W85-M88 PolarHBondContact O-N 3.35Å; W85-V89 HydrophobicContact CE3-CG2 4.3Å; W85-V89 WeakPolarHBondContact O-CG2 3.3Å; W85-V89 PolarHBondContact O-N 3.21Å
86T68.5Low64.1Low51 Ų5186.2 Ų86.231%0.31346%0.459SS..Hα-helixtrans-61.7-40.9177.950.60000111.4F82 P83 V89 V90F82-T86 HydrophobicContact CD1-CG2 4.23Å; F82-T86 HydrophobicContact CE1-CG2 4.22Å; F82-T86 WeakPolarHBondContact O-CG2 3.37Å; F82-T86 PolarHBondContact O-N 3.25Å; F82-T86 PolarHBondContact O-OG1 3.17Å; P83-T86 WeakPolarHBondContact CA-OG1 3.26Å; P83-T86 PolarHBondContact O-OG1 3.46Å; P83-T86 VanDerWaalsContact O-OG1 3.12Å; T86-V89 PolarHBondContact O-N 2.84Å; T86-V90 VanDerWaalsContact O-CG2 3.26Å; T86-V90 WeakPolarHBondContact O-CG2 3.43Å; T86-V90 PolarHBondContact O-N 3.22Å
87T69.2Low64.6Low58 Ų5882.4 Ų82.436%0.35645%0.445SS..Hα-helixtrans-69.3-36.9176.258.70000112.7Q34 P83 L84 W85 V90 C91Q34-T87 VanDerWaalsContact NE2-CB 3.32Å; Q34-T87 PolarHBondContact NE2-OG1 3.36Å; Q34-T87 VanDerWaalsContact NE2-OG1 3.15Å; P83-T87 WeakPolarHBondContact O-CB 3.32Å; P83-T87 WeakPolarHBondContact O-CG2 3.22Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-T87 VanDerWaalsContact O-N 3.11Å; P83-T87 PolarHBondContact O-OG1 3.02Å; L84-T87 PolarHBondContact O-OG1 2.9Å; L84-T87 VanDerWaalsContact O-OG1 3.05Å; W85-T87 VanDerWaalsContact C-N 3.31Å; W85-T87 PolarHBondContact O-N 3.47Å; T87-V90 PolarHBondContact O-N 3.22Å; T87-C91 WeakPolarHBondContact O-CB 3.35Å; T87-C91 PolarHBondContact O-N 3.45Å; T87-C91 PolarHBondContact O-SG 3.5Å; T87-C91 VanDerWaalsContact O-SG 3.34Å
88M68.5Low65Low98 Ų9880.8 Ų80.848%0.48344%0.435SS..Hα-helixtrans-60.4-44.6171.7-78.9-94.175.600112.3L84 W85 C91 L92L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 2.87Å; L84-M88 VanDerWaalsContact O-N 3.17Å; W85-M88 WeakPolarHBondContact O-CB 3.28Å; W85-M88 PolarHBondContact O-N 3.35Å; M88-C91 PolarHBondContact O-N 3.49Å; M88-L92 WeakPolarHBondContact O-CG 3.43Å; M88-L92 PolarHBondContact O-N 3.47Å
89V73.1Confident65.3Low65 Ų6582.3 Ų82.339%0.39444%0.439SS..Hα-helixtrans-63.5-44.5177.2172.60000110.9W85 T86 C91 L92 I93W85-V89 HydrophobicContact CE3-CG2 4.3Å; W85-V89 WeakPolarHBondContact O-CG2 3.3Å; W85-V89 PolarHBondContact O-N 3.21Å; T86-V89 PolarHBondContact O-N 2.84Å; V89-C91 VanDerWaalsContact C-N 3.35Å; V89-C91 PolarHBondContact O-N 2.95Å; V89-L92 PolarHBondContact O-N 2.94Å; V89-I93 HydrophobicContact CG1-CD1 3.79Å; V89-I93 HydrophobicContact CG1-CG1 4.37Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.14Å; V89-I93 PolarHBondContact O-N 3.43Å
90V73.3Confident65.5Low79 Ų7978.8 Ų78.848%0.47944%0.436SS..Hα-helixtrans-61.9-42.4176.6171.40000111.3T86 T87 I93 I94T86-V90 VanDerWaalsContact O-CG2 3.26Å; T86-V90 WeakPolarHBondContact O-CG2 3.43Å; T86-V90 PolarHBondContact O-N 3.22Å; T87-V90 PolarHBondContact O-N 3.22Å; V90-I93 PolarHBondContact O-N 3.48Å; V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.48Å; V90-I94 VanDerWaalsContact O-CG1 3.29Å; V90-I94 WeakPolarHBondContact O-CG1 3.29Å; V90-I94 PolarHBondContact O-N 2.98Å
91C68.2Low65.2Low39 Ų3983 Ų8326%0.26445%0.454SS..Hα-helixtrans-59.5-46.3174.5-77.10000111.9T87 M88 V89 I94 V95T87-C91 WeakPolarHBondContact O-CB 3.35Å; T87-C91 PolarHBondContact O-N 3.45Å; T87-C91 PolarHBondContact O-SG 3.5Å; T87-C91 VanDerWaalsContact O-SG 3.34Å; M88-C91 PolarHBondContact O-N 3.49Å; V89-C91 VanDerWaalsContact C-N 3.35Å; V89-C91 PolarHBondContact O-N 2.95Å; C91-I94 PolarHBondContact O-N 3.29Å; C91-V95 WeakPolarHBondContact O-CG2 3.48Å; C91-V95 PolarHBondContact O-N 3.2Å
92L70.9Confident64.9Low110 Ų11082.6 Ų82.658%0.57645%0.454SS*.Hα-helixtrans-62.3-43.2176.3-73.9171.8000111.9M88 V89 I94 V95 C96M88-L92 WeakPolarHBondContact O-CG 3.43Å; M88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 2.94Å; L92-I94 VanDerWaalsContact C-N 3.34Å; L92-I94 PolarHBondContact O-N 2.95Å; L92-V95 PolarHBondContact O-N 3.44Å; L92-C96 VanDerWaalsContact O-CB 3.22Å; L92-C96 WeakPolarHBondContact O-CB 3.26Å; L92-C96 PolarHBondContact O-N 3.42Å; L92-C96 PolarHBondContact O-SG 3.34Å
93I73.8Confident64.4Low105 Ų10581.8 Ų81.854%0.53846%0.459SS..Hα-helixtrans-60.8-43.3177.4-69.2167.1000110.9V89 V90 C96 A97V89-I93 HydrophobicContact CG1-CD1 3.79Å; V89-I93 HydrophobicContact CG1-CG1 4.37Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.14Å; V89-I93 PolarHBondContact O-N 3.43Å; V90-I93 PolarHBondContact O-N 3.48Å; I93-C96 PolarHBondContact O-N 3.41Å; I93-A97 WeakPolarHBondContact O-CB 3.29Å; I93-A97 PolarHBondContact O-N 3.1Å
94I70.8Confident63.7Low82 Ų8284.5 Ų84.542%0.42148%0.48SS..Hα-helixtrans-65-45.9179.4-66.8165.4000110.7V90 C91 L92 A97 Q98V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.48Å; V90-I94 VanDerWaalsContact O-CG1 3.29Å; V90-I94 WeakPolarHBondContact O-CG1 3.29Å; V90-I94 PolarHBondContact O-N 2.98Å; C91-I94 PolarHBondContact O-N 3.29Å; L92-I94 VanDerWaalsContact C-N 3.34Å; L92-I94 PolarHBondContact O-N 2.95Å; I94-A97 PolarHBondContact O-N 3.3Å; I94-Q98 WeakPolarHBondContact O-CG 3.4Å; I94-Q98 PolarHBondContact O-N 2.85Å
95V68.1Low62.9Low61 Ų6187.2 Ų87.237%0.3750%0.499SS..Hα-helixtrans-62.7-46.5177.6172.90000110.5C91 L92 A97 Q98 I99C91-V95 WeakPolarHBondContact O-CG2 3.48Å; C91-V95 PolarHBondContact O-N 3.2Å; L92-V95 PolarHBondContact O-N 3.44Å; V95-A97 VanDerWaalsContact C-N 3.34Å; V95-A97 PolarHBondContact O-N 2.78Å; V95-Q98 PolarHBondContact O-N 2.76Å; V95-I99 HydrophobicContact CG1-CD1 3.94Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.44Å
96C66.6Low62Low67 Ų6783.4 Ų83.445%0.45350%0.502SS..Hα-helixtrans-61.9-40.9175.7-70.70000111.9L92 I93 Q98 I99 V100L92-C96 VanDerWaalsContact O-CB 3.22Å; L92-C96 WeakPolarHBondContact O-CB 3.26Å; L92-C96 PolarHBondContact O-N 3.42Å; L92-C96 PolarHBondContact O-SG 3.34Å; I93-C96 PolarHBondContact O-N 3.41Å; C96-Q98 VanDerWaalsContact C-N 3.31Å; C96-Q98 PolarHBondContact O-N 3.29Å; C96-I99 PolarHBondContact O-N 3.22Å; C96-V100 WeakPolarHBondContact O-CB 3.34Å; C96-V100 VanDerWaalsContact O-CG2 3.28Å; C96-V100 WeakPolarHBondContact O-CG2 3.3Å; C96-V100 PolarHBondContact O-N 3.3Å
97A64.2Low60.6Low44 Ų4486.3 Ų86.336%0.36451%0.514SS..Hα-helixtrans-64.8-35.117700000111.9I93 I94 V95 N101I93-A97 WeakPolarHBondContact O-CB 3.29Å; I93-A97 PolarHBondContact O-N 3.1Å; I94-A97 PolarHBondContact O-N 3.3Å; V95-A97 VanDerWaalsContact C-N 3.34Å; V95-A97 PolarHBondContact O-N 2.78Å; A97-N101 CarbonylContact O-C 3.35Å; A97-N101 VanDerWaalsContact O-CA 3.31Å; A97-N101 WeakPolarHBondContact O-CA 3.31Å; A97-N101 VanDerWaalsContact O-CB 3.29Å; A97-N101 WeakPolarHBondContact O-CB 3.15Å; A97-N101 PolarHBondContact O-N 3.15Å
98Q60.6Low59.1Low75 Ų7594.9 Ų94.935%0.3554%0.54SS..Hα-helixtrans-71.7-30.9174-70.91781000112.9I94 V95 C96 N101 P102I94-Q98 WeakPolarHBondContact O-CG 3.4Å; I94-Q98 PolarHBondContact O-N 2.85Å; V95-Q98 PolarHBondContact O-N 2.76Å; C96-Q98 VanDerWaalsContact C-N 3.31Å; C96-Q98 PolarHBondContact O-N 3.29Å; Q98-N101 CarbonylContact O-C 3.6Å; Q98-P102 VanDerWaalsContact O-CA 3.3Å; Q98-P102 WeakPolarHBondContact O-CA 3.28Å
99I62.6Low57.8Low126 Ų12694.2 Ų94.265%0.64655%0.545SS*.Hα-helixtrans-74.4-42.7174.8-65.3164000110.9V95 C96V95-I99 HydrophobicContact CG1-CD1 3.94Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.44Å; C96-I99 PolarHBondContact O-N 3.22Å
100V58.2Low56.5Low110 Ų11099 Ų9967%0.66756%0.561SS**Hα-helixtrans-78.8-39.7-177.51750000111.5C96 P102C96-V100 WeakPolarHBondContact O-CB 3.34Å; C96-V100 VanDerWaalsContact O-CG2 3.28Å; C96-V100 WeakPolarHBondContact O-CG2 3.3Å; C96-V100 PolarHBondContact O-N 3.3Å; V100-P102 VanDerWaalsContact O-CD 3.27Å; V100-P102 WeakPolarHBondContact O-CD 3.27Å
101N48.5Very low55.1Low118 Ų118104.2 Ų104.263%0.63158%0.577SS**SBendtrans-114.475.1171.6-59.2-49.9000108.3A97 Q98A97-N101 CarbonylContact O-C 3.35Å; A97-N101 VanDerWaalsContact O-CA 3.31Å; A97-N101 WeakPolarHBondContact O-CA 3.31Å; A97-N101 VanDerWaalsContact O-CB 3.29Å; A97-N101 WeakPolarHBondContact O-CB 3.15Å; A97-N101 PolarHBondContact O-N 3.15Å; Q98-N101 CarbonylContact O-C 3.6Å
102P51Low53.7Low72 Ų72107.1 Ų107.147%0.46860%0.598SS.*  trans-54.1135.1163.625.6-31.9000106.3Q98 V100 S104Q98-P102 VanDerWaalsContact O-CA 3.3Å; Q98-P102 WeakPolarHBondContact O-CA 3.28Å; V100-P102 VanDerWaalsContact O-CD 3.27Å; V100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-S104 PolarHBondContact O-N 2.71Å
103P48.6Very low52.1Low94 Ų94108 Ų10861%0.6160%0.604SS**  trans-47.7120.9175.719.4-30.9000106.7T105P103-T105 PolarHBondContact O-N 2.92Å
104S46.3Very low50.3Low120 Ų120111.1 Ų111.184%0.83962%0.621SS**SBendtrans-72.953.1-176.660.20000109.8P102P102-S104 PolarHBondContact O-N 2.71Å
105T45.6Very low48.8Very low124 Ų124114.8 Ų114.876%0.76164%0.636SS**SBendtrans-105.479.7162.528.70000106.7P103P103-T105 PolarHBondContact O-N 2.92Å
106G44.6Very low47.6Very low54 Ų54117.9 Ų117.956%0.55766%0.658SS**SBendtrans103.6-2.7148.500000120.2S109G106-S109 PolarHBondContact O-OG 3.29Å
107I39.3Very low46.2Very low112 Ų112120.7 Ų120.757%0.57468%0.677SS**  trans-97.9-8.2178.6-46.3177.6000113S109 F110I107-S109 PolarHBondContact O-N 2.96Å; I107-F110 HydrophobicContact CG2-CB 4.31Å; I107-F110 PolarHBondContact O-N 2.98Å
108R38.1Very low45Very low237 Ų237124.1 Ų124.189%0.89470%0.697SS**THydrogen-bonded Turntrans-62.2-10.7173.3-150.3179.4-172.8-164.82.2113.3
109S42.6Very low44.2Very low84 Ų84125.6 Ų125.659%0.58771%0.707SS**THydrogen-bonded Turntrans-85.7-11.7172.257.10000114.9G106 I107G106-S109 PolarHBondContact O-OG 3.29Å; I107-S109 PolarHBondContact O-N 2.96Å
110F45.1Very low43.4Very low165 Ų165126.2 Ų126.272%0.72471%0.712SS**THydrogen-bonded Turntrans-97.7-25.4-178.1-77.3-77.5000114.5I107I107-F110 HydrophobicContact CG2-CB 4.31Å; I107-F110 PolarHBondContact O-N 2.98Å
111F44.1Very low42.8Very low190 Ų190126.6 Ų126.683%0.83371%0.71SS**SBendtrans-97.71.1177.4-89.2-81.3000115.2
112S38.2Very low42.7Very low99 Ų99126.4 Ų126.469%0.69271%0.705SS**SBendtrans-11157.1167.5-1710000110.6
113N38.1Very low42.5Very low130 Ų130132.2 Ų132.270%0.69572%0.718SS**  trans-148.339.4157.3-134.93.7000112.4Q115N113-Q115 PolarHBondContact O-N 3.38Å; N113-Q115 VanDerWaalsContact O-N 3.15Å
114N36.5Very low42.4Very low169 Ų169137 Ų13790%0.90472%0.724SS**  trans-7866.7147-80-9.9000107.9
115Q38.7Very low42.6Very low159 Ų159140.8 Ų140.874%0.74372%0.72SS**SBendtrans-139.3124.3158.9-150.1154.511.100107.6N113 C117N113-Q115 PolarHBondContact O-N 3.38Å; N113-Q115 VanDerWaalsContact O-N 3.15Å; Q115-C117 PolarHBondContact O-N 3.15Å
116P42.5Very low42.7Very low126 Ų126140.8 Ų140.882%0.81871%0.711SS**  trans-65.1132.6-152.221.8-31.9000112.3C118P116-C118 PolarHBondContact O-N 3.12Å; P116-C118 VanDerWaalsContact O-N 3.12Å
117C36.2Very low42.9Very low127 Ų127148 Ų14886%0.85872%0.722SS**  trans-48.2114.5156.8-840000109.2Q115Q115-C117 PolarHBondContact O-N 3.15Å
118C40.8Very low43.2Very low115 Ų115150.7 Ų150.778%0.77773%0.729SS**  trans170.678.1135.4-88.10000109.5P116P116-C118 PolarHBondContact O-N 3.12Å; P116-C118 VanDerWaalsContact O-N 3.12Å
119D42.2Very low43.8Very low107 Ų107143.3 Ų143.357%0.57271%0.71SS**  trans-137.826.9160.4-142.617.4000114.8N121 E122D119-N121 VanDerWaalsContact C-N 3.25Å; D119-E122 VanDerWaalsContact OD1-CB 3.31Å; D119-E122 WeakPolarHBondContact OD1-CB 3.31Å
120N46.7Very low43.8Very low138 Ų138144.7 Ų144.774%0.73871%0.711SS**Hα-helixtrans-79.3-9.6167.3-81.8-33.8000112.8
121N46.3Very low44Very low118 Ų118141.7 Ų141.763%0.63171%0.706SS**Hα-helixtrans-81.7-28.4175.6-76.9-27.4000112.6D119 R124 R125D119-N121 VanDerWaalsContact C-N 3.25Å; N121-R124 PolarHBondContact O-N 3.2Å; N121-R125 PolarHBondContact O-N 3.48Å
122E45.9Very low44.2Very low114 Ų114136.5 Ų136.553%0.53369%0.693SS.*Hα-helixtrans-67.5-46.2177.4-146.288.4177.900111.5D119 R124 R125 Q126D119-E122 VanDerWaalsContact OD1-CB 3.31Å; D119-E122 WeakPolarHBondContact OD1-CB 3.31Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3.25Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-Q126 PolarHBondContact O-N 3.03Å
123R46.2Very low44.9Very low195 Ų195135.9 Ų135.974%0.73669%0.685SS**Hα-helixtrans-65.6-31178.4-77.2-167.2-167.1-173.35113.4R127R123-R127 PolarHBondContact O-N 3.08Å; R123-R127 VanDerWaalsContact O-N 3.08Å
124R47.3Very low45.4Very low195 Ų195131.8 Ų131.874%0.73667%0.674SS**Hα-helixtrans-73.7-27.8175.6-104.3-173.6-178.8-171.82.2112.5N121 E122 K128N121-R124 PolarHBondContact O-N 3.2Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3.25Å; R124-K128 PolarHBondContact O-N 3.14Å
125R49.3Very low46.1Very low199 Ų199130.8 Ų130.875%0.75166%0.662SS**Hα-helixtrans-72.7-47171.3-75.9-173.6173.8-168.2-0.8111N121 E122 R127 K128 T129N121-R125 PolarHBondContact O-N 3.48Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 VanDerWaalsContact O-N 3.14Å; R125-R127 PolarHBondContact O-N 3.08Å; R125-K128 PolarHBondContact O-N 3.33Å; R125-T129 PolarHBondContact O-N 3.45Å; R125-T129 VanDerWaalsContact O-N 3.08Å; R125-T129 PolarHBondContact O-OG1 3.39Å
126Q49.4Very low46.6Very low123 Ų123128.1 Ų128.158%0.57566%0.656SS**Hα-helixtrans-60-42.8177.5-81.3175.8-12.200113.3E122 K128 T129 D130E122-Q126 PolarHBondContact O-N 3.03Å; Q126-K128 PolarHBondContact O-N 3.23Å; Q126-T129 PolarHBondContact O-N 3.39Å; Q126-T129 PolarHBondContact O-OG1 2.86Å; Q126-D130 PolarHBondContact O-N 3.19Å
127R47Very low46.8Very low207 Ų207130.6 Ų130.678%0.78165%0.654SS**Hα-helixtrans-67-20175.7-91.5-166.3-173.3-167.32.9114.8R123 R125 V131R123-R127 PolarHBondContact O-N 3.08Å; R123-R127 VanDerWaalsContact O-N 3.08Å; R125-R127 PolarHBondContact O-N 3.08Å; R127-V131 WeakPolarHBondContact O-CG2 3.41Å
128K47.1Very low47.5Very low167 Ų167132.5 Ų132.573%0.72665%0.648SS**Hα-helixtrans-87.8-31.9175.6-79.8-173.4174-1730112.2R124 R125 Q126R124-K128 PolarHBondContact O-N 3.14Å; R125-K128 PolarHBondContact O-N 3.33Å; Q126-K128 PolarHBondContact O-N 3.23Å
129T49.9Very low47.9Very low82 Ų82133.5 Ų133.550%0.50365%0.645SS.*Hα-helixtrans-70.7-38.2175.77.20000112.6R125 Q126 V131 S132 T133R125-T129 PolarHBondContact O-N 3.45Å; R125-T129 VanDerWaalsContact O-N 3.08Å; R125-T129 PolarHBondContact O-OG1 3.39Å; Q126-T129 PolarHBondContact O-N 3.39Å; Q126-T129 PolarHBondContact O-OG1 2.86Å; T129-V131 VanDerWaalsContact C-N 3.33Å; T129-V131 PolarHBondContact O-N 3.33Å; T129-S132 PolarHBondContact O-N 3.46Å; T129-T133 PolarHBondContact O-N 3.2Å; T129-T133 PolarHBondContact O-OG1 3.24Å
130D43.2Very low48.1Very low113 Ų113137.7 Ų137.760%0.60466%0.658SS**Hα-helixtrans-68.6-29.1-178.4-74.5-26.1000113.8Q126 S132 G134Q126-D130 PolarHBondContact O-N 3.19Å; D130-S132 VanDerWaalsContact C-N 3.35Å; D130-G134 PolarHBondContact O-N 3.49Å
131V49.7Very low48.1Very low102 Ų102136 Ų13662%0.61866%0.657SS**Hα-helixtrans-73.8-30.4176.7-179.40000111.3R127 T129R127-V131 WeakPolarHBondContact O-CG2 3.41Å; T129-V131 VanDerWaalsContact C-N 3.33Å; T129-V131 PolarHBondContact O-N 3.33Å
132S47.4Very low48Very low81 Ų81143.5 Ų143.557%0.56668%0.678SS**Hα-helixtrans-77.9-41.2-179.8-1670000112.3T129 D130 G134 F135T129-S132 PolarHBondContact O-N 3.46Å; D130-S132 VanDerWaalsContact C-N 3.35Å; S132-G134 PolarHBondContact O-N 3.44Å; S132-F135 PolarHBondContact O-N 3.29Å
133T51.7Low48.1Very low86 Ų86145 Ų14553%0.52869%0.686SS.*Hα-helixtrans-73-27.417951.80000113.1T129 K137T129-T133 PolarHBondContact O-N 3.2Å; T129-T133 PolarHBondContact O-OG1 3.24Å; T133-K137 PolarHBondContact O-N 3.41Å
134G48.6Very low48.2Very low44 Ų44142.4 Ų142.445%0.45468%0.683SS.*Hα-helixtrans-67.7-34.5173.800000114.1D130 S132D130-G134 PolarHBondContact O-N 3.49Å; S132-G134 PolarHBondContact O-N 3.44Å
135F51.4Low48.2Very low149 Ų149139.4 Ų139.465%0.65468%0.68SS**Hα-helixtrans-74.6-36.7179.9-112.5-90.8000112.8S132 K137 K138 L139S132-F135 PolarHBondContact O-N 3.29Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 3.24Å; F135-K138 PolarHBondContact O-N 3.44Å; F135-L139 PolarHBondContact O-N 3.49Å
136V50.4Low48.2Very low103 Ų103135.9 Ų135.962%0.62468%0.676SS**Hα-helixtrans-67.5-33.9178.5-179.80000111.8K138V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.44Å
137K47.2Very low48.1Very low178 Ų178136.8 Ų136.877%0.77468%0.682SS**Hα-helixtrans-69.1-27.2175.5-84.2-173.7177179.70113.5T133 F135T133-K137 PolarHBondContact O-N 3.41Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 3.24Å
138K49.7Very low48.1Very low167 Ų167132.1 Ų132.173%0.72668%0.676SS**Hα-helixtrans-82.1-24.5-177.8-145.4175.5-174.5-177.30113.3F135 V136F135-K138 PolarHBondContact O-N 3.44Å; V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.44Å
139L49.5Very low48.2Very low136 Ų136129.6 Ų129.671%0.71267%0.672SS**Hα-helixtrans-84.2-17.8179.8-123.1105.9000114.4F135 S141F135-L139 PolarHBondContact O-N 3.49Å; L139-S141 VanDerWaalsContact C-N 3.35Å
140K46.7Very low48.1Very low195 Ų195133.2 Ų133.285%0.84869%0.685SS**THydrogen-bonded Turntrans-90.93.7-179.5-142.8179.7-174.5-177.40114
141S46Very low48.5Very low102 Ų102134.9 Ų134.971%0.71369%0.692SS**THydrogen-bonded Turntrans-113.117.5179.7-167.50000113.2L139L139-S141 VanDerWaalsContact C-N 3.35Å
142Y43.8Very low48.4Very low276 Ų276137.9 Ų137.9100%1.08270%0.698SS**  trans-1240163.3-85.2-85.1000108

Retrieved 142 of 142 residues in 141.8 ms (Link to these results)