A0A093HWI4_STRCA Loading...

Proline-rich protein 5

AlphaFold DB , UniProt , Accession A0A093HWI4, Species STRCA (Struthio camelus australis), Gene n/a, Length 404 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
1M43.7Very low55.7Low238 Ų238113.3 Ų113.3100%1.17266%0.664SS**  091.50-71.9-89.7111.100106.5
2S48.3Very low55.8Low124 Ų124120.8 Ų120.887%0.86767%0.673SS**PPolyproline II helixtrans-87.6119.4-177.2-55.10000108.7
3S57Low56Low113 Ų113121.1 Ų121.179%0.7967%0.666SS**PPolyproline II helixtrans-63.3134178.9-54.80000110.5
4P57.8Low56.4Low101 Ų101120.6 Ų120.666%0.65666%0.657SS**PPolyproline II helixtrans-66.1138.9175.725.7-30.1000110.2
5S59Low56.8Low50 Ų50115.8 Ų115.835%0.3564%0.64SS.*PPolyproline II helixtrans-68.8140179.779.90000110.4S7 D8 L9S5-S7 PolarHBondContact O-N 2.85Å; S5-D8 PolarHBondContact O-N 3.31Å; S5-D8 PolarHBondContact OG-N 3.41Å; S5-D8 PolarHBondContact OG-OD2 3.47Å; S5-L9 PolarHBondContact O-N 2.82Å
6L57.2Low57.3Low159 Ų159111.7 Ų111.783%0.83263%0.625SS**Hα-helixtrans-56.4-24.9176.5-73167.8000112.3L9 G10L6-L9 PolarHBondContact O-N 3.49Å; L6-G10 PolarHBondContact O-N 3.37Å
7S60.5Low57.8Low80 Ų80110.8 Ų110.856%0.55962%0.618SS**Hα-helixtrans-68.9-31.8175.4-420000113.7S5 K11S5-S7 PolarHBondContact O-N 2.85Å; S7-K11 WeakPolarHBondContact O-CG 3.46Å; S7-K11 PolarHBondContact O-N 2.9Å
8D55.8Low58.3Low94 Ų94110.3 Ų110.350%0.50361%0.614SS.*Hα-helixtrans-78.7-28.7176.1-74.3-45.1000112S5 R12S5-D8 PolarHBondContact O-N 3.31Å; S5-D8 PolarHBondContact OG-N 3.41Å; S5-D8 PolarHBondContact OG-OD2 3.47Å; D8-R12 VanDerWaalsContact O-CB 3.22Å; D8-R12 WeakPolarHBondContact O-CB 3.22Å; D8-R12 PolarHBondContact O-N 3.08Å
9L55.6Low58.6Low98 Ų98111.7 Ų111.751%0.51362%0.616SS.*Hα-helixtrans-64.3-48.1174-120.494000111S5 L6 K11 R12 E13S5-L9 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 3.49Å; L9-K11 PolarHBondContact O-N 2.91Å; L9-R12 PolarHBondContact O-N 3Å; L9-E13 WeakPolarHBondContact O-CB 3.42Å; L9-E13 PolarHBondContact O-N 3.17Å
10G57.6Low59Low41 Ų41115.7 Ų115.742%0.42362%0.621SS.*Hα-helixtrans-65.5-36179.700000113.7L6 Q14L6-G10 PolarHBondContact O-N 3.37Å; G10-Q14 WeakPolarHBondContact O-CB 3.46Å; G10-Q14 PolarHBondContact O-N 3.08Å
11K60.4Low59.4Low148 Ų148111.6 Ų111.664%0.64361%0.606SS**Hα-helixtrans-69.6-37.9174.2-72.8177.1-177.7177.40112.4S7 L9 A15S7-K11 WeakPolarHBondContact O-CG 3.46Å; S7-K11 PolarHBondContact O-N 2.9Å; L9-K11 PolarHBondContact O-N 2.91Å; K11-A15 VanDerWaalsContact O-CB 3.26Å; K11-A15 WeakPolarHBondContact O-CB 3.43Å; K11-A15 PolarHBondContact O-N 3.08Å
12R56.6Low60.7Low203 Ų203102.7 Ų102.777%0.76657%0.565SS**Hα-helixtrans-71.6-35.3177.4-168.3175.9-170.1167.22.8112D8 L9 A16D8-R12 VanDerWaalsContact O-CB 3.22Å; D8-R12 WeakPolarHBondContact O-CB 3.22Å; D8-R12 PolarHBondContact O-N 3.08Å; L9-R12 PolarHBondContact O-N 3Å; R12-A16 WeakPolarHBondContact O-CB 3.37Å; R12-A16 PolarHBondContact O-N 3.45Å
13E58.1Low61.8Low125 Ų125101.8 Ų101.858%0.58455%0.547SS*.Hα-helixtrans-69.5-42.4175.4-166.2169-171.300111.3L9 A16 L17L9-E13 WeakPolarHBondContact O-CB 3.42Å; L9-E13 PolarHBondContact O-N 3.17Å; E13-A16 PolarHBondContact O-N 2.97Å; E13-L17 WeakPolarHBondContact O-CB 3.36Å; E13-L17 VanDerWaalsContact O-CG 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 3.3Å
14Q62.1Low62.5Low115 Ų115102.8 Ų102.854%0.53754%0.539SS..Hα-helixtrans-64.8-44.2173.8-162.268.134.800112.2G10 L17 D18G10-Q14 WeakPolarHBondContact O-CB 3.46Å; G10-Q14 PolarHBondContact O-N 3.08Å; Q14-L17 PolarHBondContact O-N 3.49Å; Q14-D18 PolarHBondContact O-N 3.32Å
15A63Low63.1Low48 Ų48106.2 Ų106.240%0.39754%0.539SS..Hα-helixtrans-64-39.8175.500000112.2K11 D18 E19K11-A15 VanDerWaalsContact O-CB 3.26Å; K11-A15 WeakPolarHBondContact O-CB 3.43Å; K11-A15 PolarHBondContact O-N 3.08Å; A15-D18 PolarHBondContact O-N 3.46Å; A15-E19 WeakPolarHBondContact O-CB 3.45Å; A15-E19 WeakPolarHBondContact O-CG 3.2Å; A15-E19 PolarHBondContact O-N 2.69Å
16A64.7Low63.9Low50 Ų50110.5 Ų110.541%0.41355%0.548SS..Hα-helixtrans-68.4-33.7176.600000112.7R12 E13 R20R12-A16 WeakPolarHBondContact O-CB 3.37Å; R12-A16 PolarHBondContact O-N 3.45Å; E13-A16 PolarHBondContact O-N 2.97Å; A16-R20 VanDerWaalsContact O-CB 3.25Å; A16-R20 WeakPolarHBondContact O-CB 3.09Å; A16-R20 PolarHBondContact O-N 3.04Å
17L64.5Low64.7Low97 Ų97105.2 Ų105.251%0.50853%0.527SS..Hα-helixtrans-70.2-40.2173.7-73.8173.4000111.8E13 Q14 R20 G21E13-L17 WeakPolarHBondContact O-CB 3.36Å; E13-L17 VanDerWaalsContact O-CG 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 3.3Å; Q14-L17 PolarHBondContact O-N 3.49Å; L17-R20 PolarHBondContact O-N 2.88Å; L17-G21 PolarHBondContact O-N 2.92Å
18D66.9Low65.4Low102 Ų102104.8 Ų104.855%0.54552%0.523SS..Hα-helixtrans-68-40.4175.5-76.4-17.8000112.1Q14 A15 G21 T22Q14-D18 PolarHBondContact O-N 3.32Å; A15-D18 PolarHBondContact O-N 3.46Å; D18-G21 PolarHBondContact O-N 3.12Å; D18-T22 WeakPolarHBondContact O-CG2 3.4Å; D18-T22 PolarHBondContact O-N 3.33Å; D18-T22 PolarHBondContact O-OG1 3.31Å
19E65.3Low66.5Low136 Ų136101.6 Ų101.664%0.63651%0.509SS*.Hα-helixtrans-63-43.7171.8-78.7-175.917500111.7A15 G21 T22 Q23A15-E19 WeakPolarHBondContact O-CB 3.45Å; A15-E19 WeakPolarHBondContact O-CG 3.2Å; A15-E19 PolarHBondContact O-N 2.69Å; E19-G21 VanDerWaalsContact C-N 3.31Å; E19-G21 PolarHBondContact O-N 2.84Å; E19-T22 WeakPolarHBondContact CA-OG1 3.49Å; E19-T22 PolarHBondContact O-N 3.46Å; E19-T22 PolarHBondContact O-OG1 2.99Å; E19-Q23 VanDerWaalsContact O-CB 3.31Å; E19-Q23 WeakPolarHBondContact O-CB 3.2Å; E19-Q23 PolarHBondContact O-N 3.12Å
20R66.1Low67.9Low192 Ų192101.3 Ų101.373%0.72551%0.507SS*.Hα-helixtrans-63.3-38.1175-168.9179-72-157.6-1.6111.6A16 L17 Q24A16-R20 VanDerWaalsContact O-CB 3.25Å; A16-R20 WeakPolarHBondContact O-CB 3.09Å; A16-R20 PolarHBondContact O-N 3.04Å; L17-R20 PolarHBondContact O-N 2.88Å; R20-Q24 VanDerWaalsContact O-CB 3.29Å; R20-Q24 WeakPolarHBondContact O-CB 3.4Å; R20-Q24 PolarHBondContact O-N 3.13Å
21G67.9Low69.4Low30 Ų30102.2 Ų102.231%0.30951%0.511SS..Hα-helixtrans-69.3-32176.400000114.1L17 D18 E19 R25L17-G21 PolarHBondContact O-N 2.92Å; D18-G21 PolarHBondContact O-N 3.12Å; E19-G21 VanDerWaalsContact C-N 3.31Å; E19-G21 PolarHBondContact O-N 2.84Å; G21-R25 WeakPolarHBondContact O-CG 3.37Å; G21-R25 PolarHBondContact O-N 2.94Å; G21-R25 PolarHBondContact O-NE 3.34Å
22T69.5Low70.8Confident51 Ų5196.3 Ų96.331%0.31349%0.487SS..Hα-helixtrans-78.3-38.3173.853.70000112.1D18 E19 R25 R26D18-T22 WeakPolarHBondContact O-CG2 3.4Å; D18-T22 PolarHBondContact O-N 3.33Å; D18-T22 PolarHBondContact O-OG1 3.31Å; E19-T22 WeakPolarHBondContact CA-OG1 3.49Å; E19-T22 PolarHBondContact O-N 3.46Å; E19-T22 PolarHBondContact O-OG1 2.99Å; T22-R25 PolarHBondContact O-N 3.1Å; T22-R26 PolarHBondContact O-N 3.16Å
23Q71.3Confident72.3Confident105 Ų10588.1 Ų88.149%0.49146%0.456SS..Hα-helixtrans-61-45.9172.7-163.885.4-11.100111.1E19 R25 R26 A27E19-Q23 VanDerWaalsContact O-CB 3.31Å; E19-Q23 WeakPolarHBondContact O-CB 3.2Å; E19-Q23 PolarHBondContact O-N 3.12Å; Q23-R25 PolarHBondContact O-N 3.31Å; Q23-R26 PolarHBondContact O-N 2.91Å; Q23-A27 WeakPolarHBondContact O-CB 3.23Å; Q23-A27 PolarHBondContact O-N 2.93Å
24Q71.8Confident73.9Confident133 Ų13386.8 Ų86.862%0.62145%0.453SS*.Hα-helixtrans-63.8-40.6178-175.163.91700112.1R20 A27 C28R20-Q24 VanDerWaalsContact O-CB 3.29Å; R20-Q24 WeakPolarHBondContact O-CB 3.4Å; R20-Q24 PolarHBondContact O-N 3.13Å; Q24-A27 PolarHBondContact O-N 2.82Å; Q24-C28 WeakPolarHBondContact O-CB 3.35Å; Q24-C28 PolarHBondContact O-N 3.36Å
25R71.6Confident75.4Confident174 Ų17484 Ų8466%0.65745%0.447SS*.Hα-helixtrans-63.3-43.8174.7-83.1-173.7-80.4-174.2-4.2112G21 T22 Q23 C28 S29G21-R25 WeakPolarHBondContact O-CG 3.37Å; G21-R25 PolarHBondContact O-N 2.94Å; G21-R25 PolarHBondContact O-NE 3.34Å; T22-R25 PolarHBondContact O-N 3.1Å; Q23-R25 PolarHBondContact O-N 3.31Å; R25-C28 PolarHBondContact O-N 2.87Å; R25-S29 PolarHBondContact O-N 3.16Å; R25-S29 PolarHBondContact O-OG 2.92Å
26R74.6Confident76.9Confident139 Ų13981.8 Ų81.853%0.52543%0.428SS..Hα-helixtrans-62-45174.7-83.6-173.6-109.9115.51.2112.2T22 Q23 C28 S29 N30T22-R26 PolarHBondContact O-N 3.16Å; Q23-R26 PolarHBondContact O-N 2.91Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-C28 PolarHBondContact O-N 2.84Å; R26-S29 PolarHBondContact O-N 3.21Å; R26-N30 VanDerWaalsContact O-CG 3.27Å; R26-N30 PolarHBondContact O-N 3.48Å; R26-N30 PolarHBondContact O-ND2 2.87Å
27A74.6Confident78.4Confident49 Ų4980.9 Ų80.941%0.40542%0.415SS..Hα-helixtrans-61.4-40.8177.900000112.3Q23 Q24 N30 A31Q23-A27 WeakPolarHBondContact O-CB 3.23Å; Q23-A27 PolarHBondContact O-N 2.93Å; Q24-A27 PolarHBondContact O-N 2.82Å; A27-N30 PolarHBondContact O-N 3.22Å; A27-A31 PolarHBondContact O-N 2.81Å
28C75.1Confident79.9Confident70 Ų7081.1 Ų81.147%0.47342%0.417SS..Hα-helixtrans-65.5-43.6176.5-170.30000112.4Q24 R25 R26 N30 A31 T32Q24-C28 WeakPolarHBondContact O-CB 3.35Å; Q24-C28 PolarHBondContact O-N 3.36Å; R25-C28 PolarHBondContact O-N 2.87Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-C28 PolarHBondContact O-N 2.84Å; C28-N30 VanDerWaalsContact C-N 3.3Å; C28-N30 PolarHBondContact O-N 2.97Å; C28-A31 PolarHBondContact O-N 3.46Å; C28-T32 PolarHBondContact O-N 3.3Å; C28-T32 PolarHBondContact O-OG1 3.01Å
29S80Confident81.3Confident28 Ų2876.2 Ų76.220%0.19639%0.391CS..Hα-helixtrans-60.3-41173.7-62.80000111.7R25 R26 T32 W33R25-S29 PolarHBondContact O-N 3.16Å; R25-S29 PolarHBondContact O-OG 2.92Å; R26-S29 PolarHBondContact O-N 3.21Å; S29-T32 WeakPolarHBondContact O-CB 3.44Å; S29-T32 PolarHBondContact O-N 2.92Å; S29-W33 PolarHBondContact O-N 2.78Å
30N83.9Confident82.8Confident91 Ų9169.8 Ų69.849%0.48736%0.361SS..Hα-helixtrans-65.6-40.4177.6-71.4-14.3000112.6R26 A27 C28 T32 W33 N34R26-N30 VanDerWaalsContact O-CG 3.27Å; R26-N30 PolarHBondContact O-N 3.48Å; R26-N30 PolarHBondContact O-ND2 2.87Å; A27-N30 PolarHBondContact O-N 3.22Å; C28-N30 VanDerWaalsContact C-N 3.3Å; C28-N30 PolarHBondContact O-N 2.97Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.43Å; N30-W33 PolarHBondContact O-N 2.93Å; N30-N34 PolarHBondContact O-N 3.17Å; N30-N34 PolarHBondContact O-ND2 3.06Å
31A89.1Confident84.2Confident60 Ų6061.2 Ų61.250%0.49633%0.329SS..Hα-helixtrans-61.7-41.417400000111.6A27 C28 N34 S35A27-A31 PolarHBondContact O-N 2.81Å; C28-A31 PolarHBondContact O-N 3.46Å; A31-N34 PolarHBondContact O-N 3.33Å; A31-S35 PolarHBondContact O-N 3.4Å
32T90.3Very high85.6Confident25 Ų2560.8 Ų60.815%0.15332%0.322CS..Hα-helixtrans-62.4-44.4176.4-53.30000111.5C28 S29 N30 N34 S35 I36 G60 L64C28-T32 PolarHBondContact O-N 3.3Å; C28-T32 PolarHBondContact O-OG1 3.01Å; S29-T32 WeakPolarHBondContact O-CB 3.44Å; S29-T32 PolarHBondContact O-N 2.92Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.43Å; T32-N34 PolarHBondContact O-N 3.44Å; T32-S35 PolarHBondContact O-N 3.43Å; T32-I36 HydrophobicContact CG2-CD1 4.15Å; T32-I36 WeakPolarHBondContact O-CG1 3.34Å; T32-I36 PolarHBondContact O-N 2.78Å; T32-I36 VanDerWaalsContact O-N 3.07Å; T32-G60 VanDerWaalsContact CG2-CA 3.43Å; T32-L64 HydrophobicContact CG2-CD1 3.96Å; T32-L64 HydrophobicContact CG2-CG 4.15Å
33W88.4Confident87Confident30 Ų3058.8 Ų58.811%0.11431%0.31CS..Hα-helixtrans-58-48.2174.2-81118.3000112.7S29 N30 S35 I36 H37 L64 L69 F73 Y76S29-W33 PolarHBondContact O-N 2.78Å; N30-W33 PolarHBondContact O-N 2.93Å; W33-S35 VanDerWaalsContact C-N 3.29Å; W33-S35 PolarHBondContact O-N 3.32Å; W33-I36 PolarHBondContact O-N 2.79Å; W33-H37 WeakPolarHBondContact O-CB 3.47Å; W33-H37 PolarHBondContact O-N 2.66Å; W33-L64 HydrophobicContact CD2-CD1 3.56Å; W33-L64 HydrophobicContact CD2-CD2 3.98Å; W33-L64 HydrophobicContact CD2-CG 4.42Å; W33-L64 HydrophobicContact CE3-CD1 3.74Å; W33-L64 HydrophobicContact CG-CD1 4.08Å; W33-L64 HydrophobicContact CG-CD2 4.2Å; W33-L64 HydrophobicContact CH2-CD1 4.15Å; W33-L64 HydrophobicContact CZ2-CB 4.48Å; W33-L64 HydrophobicContact CZ2-CD1 3.97Å; W33-L64 HydrophobicContact CZ2-CD2 3.7Å; W33-L64 HydrophobicContact CZ2-CG 4.27Å; W33-L64 HydrophobicContact CZ3-CD1 4Å; W33-L69 HydrophobicContact CZ2-CB 3.92Å; W33-L69 HydrophobicContact CZ2-CD1 4.38Å; W33-F73 AromaticContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CE2 4.03Å; W33-F73 HydrophobicContact CZ3-CD2 4.01Å; W33-F73 AromaticContact CZ3-CE2 3.99Å; W33-F73 HydrophobicContact CZ3-CE2 3.99Å; W33-Y76 AromaticContact CE3-CD1 3.94Å; W33-Y76 HydrophobicContact CE3-CD1 3.94Å; W33-Y76 AromaticContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE2 4.32Å; W33-Y76 HydrophobicContact CE3-CG 4.46Å; W33-Y76 AromaticContact CE3-CZ 3.74Å; W33-Y76 HydrophobicContact CH2-CD1 4.02Å; W33-Y76 HydrophobicContact CH2-CE1 4.44Å; W33-Y76 HydrophobicContact CH2-CG 4.21Å; W33-Y76 AromaticContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD2 4.37Å; W33-Y76 AromaticContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE2 4.45Å; W33-Y76 AromaticContact CZ3-CG 3.8Å; W33-Y76 HydrophobicContact CZ3-CG 3.8Å; W33-Y76 AromaticContact CZ3-CZ 3.96Å
34N91.8Very high88.2Confident98 Ų9853.8 Ų53.852%0.52429%0.287SS..Hα-helixtrans-62.7-38.3-179.8-72.5-24.8000111.7N30 A31 T32 H37 N38N30-N34 PolarHBondContact O-N 3.17Å; N30-N34 PolarHBondContact O-ND2 3.06Å; A31-N34 PolarHBondContact O-N 3.33Å; T32-N34 PolarHBondContact O-N 3.44Å; N34-H37 PolarHBondContact O-N 2.8Å; N34-N38 WeakPolarHBondContact O-CB 3.22Å; N34-N38 PolarHBondContact O-N 3.21Å; N34-N38 PolarHBondContact O-ND2 3.14Å
35S94.1Very high89.4Confident56 Ų5650.7 Ų50.739%0.39227%0.273SS..Hα-helixtrans-61.2-48.1174.2176.50000111.7A31 T32 W33 H37 N38 G39A31-S35 PolarHBondContact O-N 3.4Å; T32-S35 PolarHBondContact O-N 3.43Å; W33-S35 VanDerWaalsContact C-N 3.29Å; W33-S35 PolarHBondContact O-N 3.32Å; S35-H37 PolarHBondContact O-N 2.66Å; S35-N38 PolarHBondContact O-N 2.84Å; S35-G39 PolarHBondContact O-N 2.92Å
36I94.6Very high90.5Very high1 Ų149 Ų491%0.00527%0.266CS..Hα-helixtrans-62-45.2177.7-66.9160.6000111.6T32 W33 G39 V40 L57 V61 L64 L81 F124T32-I36 HydrophobicContact CG2-CD1 4.15Å; T32-I36 WeakPolarHBondContact O-CG1 3.34Å; T32-I36 PolarHBondContact O-N 2.78Å; T32-I36 VanDerWaalsContact O-N 3.07Å; W33-I36 PolarHBondContact O-N 2.79Å; I36-G39 PolarHBondContact O-N 2.99Å; I36-V40 HydrophobicContact CG2-CG2 4.46Å; I36-V40 WeakPolarHBondContact O-CB 3.4Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.34Å; I36-V40 PolarHBondContact O-N 3.47Å; I36-L57 HydrophobicContact CG1-CD2 4.09Å; I36-V61 HydrophobicContact CD1-CG2 3.72Å; I36-V61 HydrophobicContact CG1-CG2 4.18Å; I36-V61 HydrophobicContact CG2-CG2 4.45Å; I36-L64 HydrophobicContact CD1-CD1 3.39Å; I36-L81 HydrophobicContact CG2-CD1 4.45Å; I36-F124 HydrophobicContact CG2-CE1 3.97Å; I36-F124 HydrophobicContact CG2-CZ 4.13Å
37H94.9Very high91.4Very high31 Ų3149.7 Ų49.714%0.14427%0.273CS..Hα-helixtrans-57.4-51.4176.6-177.984.2000111.5W33 N34 S35 G39 V40 I41 L81W33-H37 WeakPolarHBondContact O-CB 3.47Å; W33-H37 PolarHBondContact O-N 2.66Å; N34-H37 PolarHBondContact O-N 2.8Å; S35-H37 PolarHBondContact O-N 2.66Å; H37-G39 PolarHBondContact O-N 3.03Å; H37-V40 PolarHBondContact O-N 3Å; H37-I41 VanDerWaalsContact O-CG1 3.28Å; H37-I41 WeakPolarHBondContact O-CG1 3.34Å; H37-I41 PolarHBondContact O-N 3.13Å; H37-L81 HydrophobicContact CB-CD2 4.11Å; H37-L81 VanDerWaalsContact ND1-CD2 3.32Å; H37-L81 WeakPolarHBondContact ND1-CD2 3.44Å
38N95.5Very high91.9Very high102 Ų10249.4 Ų49.455%0.54528%0.275SS..Hα-helixtrans-63.4-42.7-178.6-71.2-23.4000112N34 S35 V40 I41 A42N34-N38 WeakPolarHBondContact O-CB 3.22Å; N34-N38 PolarHBondContact O-N 3.21Å; N34-N38 PolarHBondContact O-ND2 3.14Å; S35-N38 PolarHBondContact O-N 2.84Å; N38-V40 PolarHBondContact O-N 2.9Å; N38-I41 PolarHBondContact O-N 3.41Å; N38-A42 WeakPolarHBondContact O-CB 3.34Å; N38-A42 PolarHBondContact O-N 3.38Å
39G96.5Very high92.7Very high0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-59.5-46.2175.800000111.9S35 I36 H37 I41 A42 V43S35-G39 PolarHBondContact O-N 2.92Å; I36-G39 PolarHBondContact O-N 2.99Å; H37-G39 PolarHBondContact O-N 3.03Å; G39-I41 PolarHBondContact O-N 2.7Å; G39-A42 WeakPolarHBondContact O-CB 3.37Å; G39-A42 PolarHBondContact O-N 3.47Å; G39-V43 WeakPolarHBondContact O-CG2 3.48Å; G39-V43 PolarHBondContact O-N 3.16Å; G39-V43 VanDerWaalsContact O-N 3.09Å
40V97.1Very high93.2Very high0 Ų050.6 Ų50.60%028%0.279CS..Hα-helixtrans-63.7-44.1177.4170.40000111.8I36 H37 N38 A42 V43 F44 L81 L120 I123 F124I36-V40 HydrophobicContact CG2-CG2 4.46Å; I36-V40 WeakPolarHBondContact O-CB 3.4Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.34Å; I36-V40 PolarHBondContact O-N 3.47Å; H37-V40 PolarHBondContact O-N 3Å; N38-V40 PolarHBondContact O-N 2.9Å; V40-A42 VanDerWaalsContact C-N 3.32Å; V40-A42 PolarHBondContact O-N 3.48Å; V40-V43 WeakPolarHBondContact O-CB 3.42Å; V40-V43 PolarHBondContact O-N 3.48Å; V40-F44 HydrophobicContact CG1-CD2 3.99Å; V40-F44 HydrophobicContact CG1-CE2 3.93Å; V40-F44 WeakPolarHBondContact O-CD2 3.3Å; V40-F44 PolarHBondContact O-N 2.97Å; V40-F44 VanDerWaalsContact O-N 3.15Å; V40-L81 HydrophobicContact CB-CD2 4.39Å; V40-L81 HydrophobicContact CG1-CB 4.13Å; V40-L81 HydrophobicContact CG1-CD2 4.4Å; V40-L81 HydrophobicContact CG2-CD1 4.19Å; V40-L120 HydrophobicContact CG1-CD2 3.76Å; V40-L120 HydrophobicContact CG2-CD2 4.27Å; V40-I123 HydrophobicContact CG2-CD1 4.08Å; V40-I123 HydrophobicContact CG2-CG2 4.4Å; V40-F124 HydrophobicContact CG2-CE2 3.92Å; V40-F124 HydrophobicContact CG2-CZ 3.69Å
41I96.8Very high93.3Very high13 Ų1353.3 Ų53.37%0.06729%0.293CS..Hα-helixtrans-64.8-38177.4-64.5-55.5000111.4H37 N38 G39 V43 F44 Q45 K84 I88H37-I41 VanDerWaalsContact O-CG1 3.28Å; H37-I41 WeakPolarHBondContact O-CG1 3.34Å; H37-I41 PolarHBondContact O-N 3.13Å; N38-I41 PolarHBondContact O-N 3.41Å; G39-I41 PolarHBondContact O-N 2.7Å; I41-V43 VanDerWaalsContact C-N 3.3Å; I41-V43 PolarHBondContact O-N 3.34Å; I41-F44 PolarHBondContact O-N 3.04Å; I41-Q45 HydrophobicContact CG2-CG 4.26Å; I41-Q45 WeakPolarHBondContact O-CB 3.4Å; I41-Q45 VanDerWaalsContact O-CG 3.27Å; I41-Q45 WeakPolarHBondContact O-CG 3.12Å; I41-Q45 PolarHBondContact O-N 3.37Å; I41-K84 HydrophobicContact CD1-CB 4.03Å; I41-K84 HydrophobicContact CD1-CD 3.77Å; I41-K84 HydrophobicContact CD1-CG 3.77Å; I41-K84 HydrophobicContact CG1-CD 4.33Å; I41-I88 HydrophobicContact CD1-CD1 4.17Å; I41-I88 HydrophobicContact CG2-CD1 3.88Å
42A96.9Very high93.3Very high20 Ų2057.9 Ų57.917%0.16530%0.304CS..Hα-helixtrans-59.7-40.6175.100000111.9N38 G39 V40 Q45 R46 K47N38-A42 WeakPolarHBondContact O-CB 3.34Å; N38-A42 PolarHBondContact O-N 3.38Å; G39-A42 WeakPolarHBondContact O-CB 3.37Å; G39-A42 PolarHBondContact O-N 3.47Å; V40-A42 VanDerWaalsContact C-N 3.32Å; V40-A42 PolarHBondContact O-N 3.48Å; A42-Q45 PolarHBondContact O-N 3.04Å; A42-Q45 VanDerWaalsContact O-N 3.17Å; A42-R46 PolarHBondContact O-N 3.47Å; A42-K47 HydrophobicContact CB-CB 4.26Å; A42-K47 PolarHBondContact O-N 2.78Å
43V97.4Very high93.5Very high9 Ų959 Ų596%0.05531%0.308CS..Hα-helixtrans-59-51.6173.2173.40000110.8G39 V40 I41 Q45 R46 L49 F111 V116 M119 I123G39-V43 WeakPolarHBondContact O-CG2 3.48Å; G39-V43 PolarHBondContact O-N 3.16Å; G39-V43 VanDerWaalsContact O-N 3.09Å; V40-V43 WeakPolarHBondContact O-CB 3.42Å; V40-V43 PolarHBondContact O-N 3.48Å; I41-V43 VanDerWaalsContact C-N 3.3Å; I41-V43 PolarHBondContact O-N 3.34Å; V43-Q45 PolarHBondContact O-N 3.13Å; V43-R46 PolarHBondContact O-N 3.13Å; V43-R46 VanDerWaalsContact O-N 3.1Å; V43-L49 HydrophobicContact CG2-CD1 4.27Å; V43-L49 HydrophobicContact CG2-CD2 4.06Å; V43-L49 HydrophobicContact CG2-CG 3.96Å; V43-F111 WeakPolarHBondContact O-CZ 3.33Å; V43-V116 HydrophobicContact CG1-CB 4.22Å; V43-V116 HydrophobicContact CG1-CG1 4.06Å; V43-V116 HydrophobicContact CG1-CG2 4.21Å; V43-M119 HydrophobicContact CB-CG 4.44Å; V43-M119 HydrophobicContact CG1-CB 3.87Å; V43-M119 HydrophobicContact CG1-CG 3.98Å; V43-M119 HydrophobicContact CG2-CB 4.35Å; V43-M119 HydrophobicContact CG2-CG 3.54Å; V43-I123 HydrophobicContact CG2-CD1 4.22Å
44F97.6Very high93.8Very high0 Ų060.5 Ų60.50%032%0.318CS..Hα-helixtrans-61.6-26.1176.9-83-81.1000113.6V40 I41 R46 L82 G85 M86 L89 F112 V116 L120V40-F44 HydrophobicContact CG1-CD2 3.99Å; V40-F44 HydrophobicContact CG1-CE2 3.93Å; V40-F44 WeakPolarHBondContact O-CD2 3.3Å; V40-F44 PolarHBondContact O-N 2.97Å; V40-F44 VanDerWaalsContact O-N 3.15Å; I41-F44 PolarHBondContact O-N 3.04Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 2.77Å; F44-L82 HydrophobicContact CZ-CD2 4.25Å; F44-G85 VanDerWaalsContact CD1-CA 3.49Å; F44-G85 WeakPolarHBondContact CD1-O 3.47Å; F44-G85 VanDerWaalsContact CE1-C 3.46Å; F44-M86 HydrophobicContact CE1-CE 4.37Å; F44-M86 HydrophobicContact CE1-SD 4.16Å; F44-M86 HydrophobicContact CZ-CE 4.44Å; F44-L89 HydrophobicContact CD1-CD1 3.77Å; F44-L89 HydrophobicContact CD1-CD2 4.4Å; F44-L89 HydrophobicContact CD1-CG 3.87Å; F44-L89 HydrophobicContact CE1-CD1 3.88Å; F44-L89 HydrophobicContact CE1-CG 4.4Å; F44-F112 HydrophobicContact CE1-CD2 4.42Å; F44-F112 HydrophobicContact CE1-CE2 4.48Å; F44-V116 HydrophobicContact CD1-CG1 3.89Å; F44-V116 HydrophobicContact CD2-CG1 4.26Å; F44-V116 HydrophobicContact CE1-CG1 3.65Å; F44-V116 HydrophobicContact CE2-CG1 4.02Å; F44-V116 HydrophobicContact CG-CG1 4.2Å; F44-V116 HydrophobicContact CZ-CG1 3.71Å; F44-L120 HydrophobicContact CE2-CD1 4.06Å; F44-L120 HydrophobicContact CE2-CD2 4.12Å; F44-L120 HydrophobicContact CZ-CD1 3.94Å
45Q96.6Very high94Very high69 Ų6963.5 Ų63.532%0.32232%0.323SS..THydrogen-bonded Turntrans-82.91.1178.2-72.5178.4-4.100114.4I41 A42 V43 K47 I88I41-Q45 HydrophobicContact CG2-CG 4.26Å; I41-Q45 WeakPolarHBondContact O-CB 3.4Å; I41-Q45 VanDerWaalsContact O-CG 3.27Å; I41-Q45 WeakPolarHBondContact O-CG 3.12Å; I41-Q45 PolarHBondContact O-N 3.37Å; A42-Q45 PolarHBondContact O-N 3.04Å; A42-Q45 VanDerWaalsContact O-N 3.17Å; V43-Q45 PolarHBondContact O-N 3.13Å; Q45-K47 HydrophobicContact CB-CD 4.15Å; Q45-K47 HydrophobicContact CB-CG 4.04Å; Q45-K47 PolarHBondContact O-N 3.1Å; Q45-I88 HydrophobicContact CG-CD1 4.33Å; Q45-I88 HydrophobicContact CG-CG2 4.3Å
46R95.1Very high94Very high137 Ų13765.4 Ų65.452%0.51733%0.328SS..THydrogen-bonded Turntrans63.621.3-172.1-66.3179-177.5-106.714.1114A42 V43 F44 G48 E107 F111A42-R46 PolarHBondContact O-N 3.47Å; V43-R46 PolarHBondContact O-N 3.13Å; V43-R46 VanDerWaalsContact O-N 3.1Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 2.77Å; R46-G48 VanDerWaalsContact C-N 3.32Å; R46-E107 PolarHBondContact NH2-O 2.76Å; R46-F111 HydrophobicContact CB-CE2 4.35Å; R46-F111 HydrophobicContact CB-CZ 4.11Å; R46-F111 HydrophobicContact CG-CD1 4.11Å; R46-F111 HydrophobicContact CG-CD2 3.93Å; R46-F111 HydrophobicContact CG-CE1 3.52Å; R46-F111 HydrophobicContact CG-CE2 3.38Å; R46-F111 HydrophobicContact CG-CG 4.29Å; R46-F111 HydrophobicContact CG-CZ 3.13Å; R46-F111 VanDerWaalsContact NH1-CD2 3.33Å
47K92.9Very high94.1Very high154 Ų15465.4 Ų65.467%0.6733%0.328SS*.  trans-81.3-14.4179.6-69178.5175.2170.30113.2A42 Q45A42-K47 HydrophobicContact CB-CB 4.26Å; A42-K47 PolarHBondContact O-N 2.78Å; Q45-K47 HydrophobicContact CB-CD 4.15Å; Q45-K47 HydrophobicContact CB-CG 4.04Å; Q45-K47 PolarHBondContact O-N 3.1Å
48G85.3Confident94.1Very high44 Ų4465.1 Ų65.145%0.45433%0.328SS..  trans70.3179.7-172.100000111.9R46R46-G48 VanDerWaalsContact C-N 3.32Å
49L91.9Very high94.1Very high40 Ų4063 Ų6321%0.20932%0.315CS..  trans-113.7136.5169-64.8178.1000108.4V43 E53 L54 L57 M119 I123V43-L49 HydrophobicContact CG2-CD1 4.27Å; V43-L49 HydrophobicContact CG2-CD2 4.06Å; V43-L49 HydrophobicContact CG2-CG 3.96Å; L49-E53 HydrophobicContact CB-CB 4.5Å; L49-E53 HydrophobicContact CD2-CG 4.4Å; L49-L54 HydrophobicContact CD1-CB 4.38Å; L49-L54 HydrophobicContact CD1-CD1 4.35Å; L49-L57 HydrophobicContact CD1-CD1 3.94Å; L49-L57 HydrophobicContact CD2-CD1 4.17Å; L49-M119 HydrophobicContact CD1-CG 4.17Å; L49-M119 HydrophobicContact CD1-SD 3.83Å; L49-I123 HydrophobicContact CD1-CD1 4.15Å; L49-I123 HydrophobicContact CD1-CG1 4.31Å
50P90.2Very high94Very high82 Ų8263.3 Ų63.353%0.53232%0.318SS..  trans-66.2163.917229.1-33.1000111.4H52 E53P50-H52 PolarHBondContact O-N 2.87Å; P50-E53 WeakPolarHBondContact CD-OE2 3.27Å; P50-E53 HydrophobicContact CG-CB 3.86Å; P50-E53 WeakPolarHBondContact CG-OE2 3.41Å; P50-E53 WeakPolarHBondContact O-CB 3.46Å; P50-E53 PolarHBondContact O-N 3.43Å; P50-E53 VanDerWaalsContact O-N 3.16Å
51D87.1Confident93.9Very high149 Ų14963.3 Ų63.380%0.79732%0.318SS*.THydrogen-bonded Turntrans-55.2139.7-179.5-63.8-35.4000111.2E53D51-E53 PolarHBondContact O-N 3.08Å
52H88.4Confident93.7Very high155 Ų15567.8 Ų67.872%0.71833%0.334SS*.THydrogen-bonded Turntrans65.6-8.2-177.3-47.9-72.8000116.8P50 L54 Y55 N56P50-H52 PolarHBondContact O-N 2.87Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 3.25Å; H52-Y55 PolarHBondContact O-N 3.06Å; H52-N56 PolarHBondContact O-N 3.12Å; H52-N56 PolarHBondContact O-ND2 3.09Å
53E94.3Very high93.5Very high50 Ų5071.1 Ų71.123%0.23435%0.346CS..Hα-helixtrans-65-39.2178.9-178.1168.5158.900111.7L49 P50 D51 Y55 N56 L57L49-E53 HydrophobicContact CB-CB 4.5Å; L49-E53 HydrophobicContact CD2-CG 4.4Å; P50-E53 WeakPolarHBondContact CD-OE2 3.27Å; P50-E53 HydrophobicContact CG-CB 3.86Å; P50-E53 WeakPolarHBondContact CG-OE2 3.41Å; P50-E53 WeakPolarHBondContact O-CB 3.46Å; P50-E53 PolarHBondContact O-N 3.43Å; P50-E53 VanDerWaalsContact O-N 3.16Å; D51-E53 PolarHBondContact O-N 3.08Å; E53-Y55 PolarHBondContact O-N 3.25Å; E53-N56 WeakPolarHBondContact O-CB 3.28Å; E53-N56 PolarHBondContact O-N 3.41Å; E53-L57 HydrophobicContact CG-CD1 4.02Å; E53-L57 HydrophobicContact CG-CG 3.95Å; E53-L57 VanDerWaalsContact O-CG 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.44Å; E53-L57 PolarHBondContact O-N 3.19Å
54L95.6Very high93.1Very high61 Ų6170.8 Ų70.832%0.31934%0.344SS..Hα-helixtrans-56.5-37.5176.9-179.462.3000112.7L49 H52 N58 M119 A122 I123L49-L54 HydrophobicContact CD1-CB 4.38Å; L49-L54 HydrophobicContact CD1-CD1 4.35Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 3.25Å; L54-N58 WeakPolarHBondContact O-CB 3.39Å; L54-N58 PolarHBondContact O-N 2.95Å; L54-N58 PolarHBondContact O-ND2 3.22Å; L54-M119 HydrophobicContact CD1-SD 4.19Å; L54-A122 HydrophobicContact CD1-CB 4.01Å; L54-A122 HydrophobicContact CD2-CB 4.16Å; L54-I123 HydrophobicContact CD1-CB 4.42Å; L54-I123 HydrophobicContact CD1-CG1 3.66Å
55Y94.9Very high92.8Very high161 Ų16173 Ų7363%0.63136%0.356SS*.Hα-helixtrans-67.1-46.4176174.4-96.5000111.1H52 E53 L57 N58 E59H52-Y55 PolarHBondContact O-N 3.06Å; E53-Y55 PolarHBondContact O-N 3.25Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.17Å; Y55-N58 WeakPolarHBondContact O-CB 3.32Å; Y55-N58 PolarHBondContact O-N 3.1Å; Y55-E59 PolarHBondContact O-N 3.32Å
56N94.8Very high92.5Very high96 Ų9677.9 Ų77.951%0.51338%0.376SS..Hα-helixtrans-61.5-41.2178.1-65.6-25.9000111.8H52 E53 E59 G60H52-N56 PolarHBondContact O-N 3.12Å; H52-N56 PolarHBondContact O-ND2 3.09Å; E53-N56 WeakPolarHBondContact O-CB 3.28Å; E53-N56 PolarHBondContact O-N 3.41Å; N56-E59 PolarHBondContact O-N 3.36Å; N56-G60 PolarHBondContact O-N 3.49Å
57L96.3Very high92.2Very high1 Ų173.8 Ų73.81%0.00537%0.366CS..Hα-helixtrans-63.4-45.9175.2-67.9-177.5000111.6I36 L49 E53 Y55 E59 G60 V61 I123I36-L57 HydrophobicContact CG1-CD2 4.09Å; L49-L57 HydrophobicContact CD1-CD1 3.94Å; L49-L57 HydrophobicContact CD2-CD1 4.17Å; E53-L57 HydrophobicContact CG-CD1 4.02Å; E53-L57 HydrophobicContact CG-CG 3.95Å; E53-L57 VanDerWaalsContact O-CG 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.44Å; E53-L57 PolarHBondContact O-N 3.19Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.17Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.26Å; L57-G60 PolarHBondContact O-N 3.35Å; L57-V61 VanDerWaalsContact O-CG2 3.32Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.32Å; L57-I123 HydrophobicContact CB-CG2 4.25Å; L57-I123 HydrophobicContact CD1-CD1 4.1Å; L57-I123 HydrophobicContact CD1-CG1 4.05Å; L57-I123 HydrophobicContact CD1-CG2 4.49Å
58N96Very high91.9Very high24 Ų2475 Ų7513%0.12837%0.374CS..Hα-helixtrans-57.3-45.5175.5-95.4-80.1000111.8L54 Y55 V61 R62 A122 P126L54-N58 WeakPolarHBondContact O-CB 3.39Å; L54-N58 PolarHBondContact O-N 2.95Å; L54-N58 PolarHBondContact O-ND2 3.22Å; Y55-N58 WeakPolarHBondContact O-CB 3.32Å; Y55-N58 PolarHBondContact O-N 3.1Å; N58-V61 PolarHBondContact O-N 3.09Å; N58-R62 WeakPolarHBondContact O-CG 2.9Å; N58-R62 PolarHBondContact O-N 3.19Å; N58-A122 PolarHBondContact ND2-O 3.5Å; N58-A122 PolarHBondContact OD1-O 3.15Å; N58-P126 VanDerWaalsContact OD1-CD 3.27Å; N58-P126 WeakPolarHBondContact OD1-CD 3.24Å
59E94.7Very high91.6Very high58 Ų5876.2 Ų76.227%0.27137%0.37SS..Hα-helixtrans-68.5-40.3179.3-171.553.4-145.900111.5Y55 N56 L57 V61 R62 Q63Y55-E59 PolarHBondContact O-N 3.32Å; N56-E59 PolarHBondContact O-N 3.36Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.26Å; E59-V61 VanDerWaalsContact C-N 3.31Å; E59-V61 PolarHBondContact O-N 3.37Å; E59-R62 WeakPolarHBondContact O-CB 3.31Å; E59-R62 PolarHBondContact O-N 3.2Å; E59-R62 VanDerWaalsContact O-N 3.14Å; E59-R62 WeakPolarHBondContact OE2-CD 3.31Å; E59-Q63 VanDerWaalsContact O-CG 3.32Å; E59-Q63 WeakPolarHBondContact O-CG 3.48Å; E59-Q63 PolarHBondContact O-N 3.24Å; E59-Q63 PolarHBondContact OE1-NE2 3.33Å
60G93.6Very high91.3Very high7 Ų774.6 Ų74.67%0.07236%0.363CS..Hα-helixtrans-57.7-42.8172.500000112.5T32 N56 L57 Q63 L64T32-G60 VanDerWaalsContact CG2-CA 3.43Å; N56-G60 PolarHBondContact O-N 3.49Å; L57-G60 PolarHBondContact O-N 3.35Å; G60-Q63 PolarHBondContact O-N 2.64Å; G60-L64 WeakPolarHBondContact O-CB 3.23Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.83Å
61V94.8Very high91.1Very high0 Ų074.7 Ų74.70%037%0.365CS..Hα-helixtrans-63.6-45.2174.4173.80000110.8I36 L57 N58 E59 Q63 L64 L65 F73 F124 P126 V127I36-V61 HydrophobicContact CD1-CG2 3.72Å; I36-V61 HydrophobicContact CG1-CG2 4.18Å; I36-V61 HydrophobicContact CG2-CG2 4.45Å; L57-V61 VanDerWaalsContact O-CG2 3.32Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.32Å; N58-V61 PolarHBondContact O-N 3.09Å; E59-V61 VanDerWaalsContact C-N 3.31Å; E59-V61 PolarHBondContact O-N 3.37Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.82Å; V61-L64 PolarHBondContact O-N 3.24Å; V61-L65 HydrophobicContact CG1-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CG 4.29Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.1Å; V61-F73 HydrophobicContact CG1-CE2 4.17Å; V61-F73 HydrophobicContact CG1-CZ 3.89Å; V61-F73 HydrophobicContact CG2-CZ 4.29Å; V61-F124 HydrophobicContact CG1-CD1 4.35Å; V61-F124 HydrophobicContact CG2-CD1 3.92Å; V61-F124 HydrophobicContact CG2-CE1 3.95Å; V61-P126 HydrophobicContact CB-CG 4.31Å; V61-P126 HydrophobicContact CG1-CB 4.1Å; V61-P126 HydrophobicContact CG1-CG 4.11Å; V61-V127 HydrophobicContact CG1-CG2 3.75Å
62R93.7Very high91.1Very high107 Ų10773.6 Ų73.640%0.40435%0.354SS..Hα-helixtrans-58.3-42.2175.7-74.2175.9-163.9-92.91.5112N58 E59 K66 P126N58-R62 WeakPolarHBondContact O-CG 2.9Å; N58-R62 PolarHBondContact O-N 3.19Å; E59-R62 WeakPolarHBondContact O-CB 3.31Å; E59-R62 PolarHBondContact O-N 3.2Å; E59-R62 VanDerWaalsContact O-N 3.14Å; E59-R62 WeakPolarHBondContact OE2-CD 3.31Å; R62-K66 WeakPolarHBondContact O-CG 2.93Å; R62-K66 PolarHBondContact O-N 2.87Å; R62-P126 HydrophobicContact CG-CB 3.56Å; R62-P126 HydrophobicContact CG-CG 3.64Å
63Q91.6Very high91Very high90 Ų9066.2 Ų66.242%0.42132%0.32SS..Hα-helixtrans-65.8-46.7178.9-71.3176.714.900111E59 G60 V61 L65 K66E59-Q63 VanDerWaalsContact O-CG 3.32Å; E59-Q63 WeakPolarHBondContact O-CG 3.48Å; E59-Q63 PolarHBondContact O-N 3.24Å; E59-Q63 PolarHBondContact OE1-NE2 3.33Å; G60-Q63 PolarHBondContact O-N 2.64Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.82Å; Q63-L65 PolarHBondContact O-N 3.27Å; Q63-K66 WeakPolarHBondContact O-CB 3.41Å; Q63-K66 PolarHBondContact O-N 2.87Å; Q63-K66 VanDerWaalsContact O-N 3.15Å
64L90.1Very high90.7Very high2 Ų265.4 Ų65.41%0.0132%0.318CS..Hα-helixtrans-61.8-41.3178.4-81.4168.5000113.1T32 W33 I36 G60 V61 K66 T67 L69 G70T32-L64 HydrophobicContact CG2-CD1 3.96Å; T32-L64 HydrophobicContact CG2-CG 4.15Å; W33-L64 HydrophobicContact CD2-CD1 3.56Å; W33-L64 HydrophobicContact CD2-CD2 3.98Å; W33-L64 HydrophobicContact CD2-CG 4.42Å; W33-L64 HydrophobicContact CE3-CD1 3.74Å; W33-L64 HydrophobicContact CG-CD1 4.08Å; W33-L64 HydrophobicContact CG-CD2 4.2Å; W33-L64 HydrophobicContact CH2-CD1 4.15Å; W33-L64 HydrophobicContact CZ2-CB 4.48Å; W33-L64 HydrophobicContact CZ2-CD1 3.97Å; W33-L64 HydrophobicContact CZ2-CD2 3.7Å; W33-L64 HydrophobicContact CZ2-CG 4.27Å; W33-L64 HydrophobicContact CZ3-CD1 4Å; I36-L64 HydrophobicContact CD1-CD1 3.39Å; G60-L64 WeakPolarHBondContact O-CB 3.23Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.83Å; V61-L64 PolarHBondContact O-N 3.24Å; L64-K66 PolarHBondContact O-N 3.23Å; L64-T67 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-OG1 3.33Å; L64-L69 HydrophobicContact CD2-CD1 4.37Å; L64-G70 PolarHBondContact O-N 3.42Å
65L90.6Very high90.4Very high46 Ų4667.7 Ų67.724%0.24133%0.327CS..Hα-helixtrans-62-25.7177.5-72.3174000113.3V61 Q63 T67 F73 P126 V127V61-L65 HydrophobicContact CG1-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CG 4.29Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.1Å; Q63-L65 PolarHBondContact O-N 3.27Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-F73 HydrophobicContact CD2-CB 4.06Å; L65-F73 HydrophobicContact CD2-CD1 4.38Å; L65-F73 HydrophobicContact CD2-CD2 4.23Å; L65-F73 HydrophobicContact CD2-CG 3.95Å; L65-P126 HydrophobicContact CD1-CB 4.1Å; L65-P126 WeakPolarHBondContact CD1-O 3.47Å; L65-V127 HydrophobicContact CD1-CG2 4.01Å
66K90.3Very high90.2Very high171 Ų17162.4 Ų62.474%0.74331%0.306SS*.THydrogen-bonded Turntrans-79.6-14.9175.4-67.5169.4-177.2174.60113.2R62 Q63 L64R62-K66 WeakPolarHBondContact O-CG 2.93Å; R62-K66 PolarHBondContact O-N 2.87Å; Q63-K66 WeakPolarHBondContact O-CB 3.41Å; Q63-K66 PolarHBondContact O-N 2.87Å; Q63-K66 VanDerWaalsContact O-N 3.15Å; L64-K66 PolarHBondContact O-N 3.23Å
67T89Confident90.1Very high52 Ų5258 Ų5832%0.31928%0.283SS..SBendtrans-87.8169.7177.172.60000111.3L64 L65 L69 G70L64-T67 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-OG1 3.33Å; L65-T67 VanDerWaalsContact C-N 3.33Å; T67-L69 PolarHBondContact O-N 3.35Å; T67-L69 WeakPolarHBondContact OG1-CB 3.44Å; T67-L69 PolarHBondContact OG1-N 2.94Å; T67-G70 PolarHBondContact O-N 3.4Å
68E85.7Confident89.9Confident180 Ų18060.6 Ų60.684%0.84130%0.295SS*.G310 helixtrans-56.6-22.6172.9-62.4178.7-179.500113G70 S71E68-G70 VanDerWaalsContact C-N 3.26Å; E68-G70 PolarHBondContact O-N 2.83Å; E68-S71 PolarHBondContact O-OG 3.27Å
69L80.7Confident89.8Confident69 Ų6963.4 Ų63.436%0.36131%0.31SS..G310 helixtrans-75-13.1177.9-55.4174.1000113.2W33 L64 T67 S71 F72 F73W33-L69 HydrophobicContact CZ2-CB 3.92Å; W33-L69 HydrophobicContact CZ2-CD1 4.38Å; L64-L69 HydrophobicContact CD2-CD1 4.37Å; T67-L69 PolarHBondContact O-N 3.35Å; T67-L69 WeakPolarHBondContact OG1-CB 3.44Å; T67-L69 PolarHBondContact OG1-N 2.94Å; L69-S71 PolarHBondContact O-N 3.04Å; L69-F72 PolarHBondContact O-N 2.65Å; L69-F73 PolarHBondContact O-N 3.23Å
70G84.9Confident89.6Confident5 Ų565.5 Ų65.55%0.05232%0.32CS..G310 helixtrans-63.6-22.9178.700000114.2L64 T67 E68 F73 K130L64-G70 PolarHBondContact O-N 3.42Å; T67-G70 PolarHBondContact O-N 3.4Å; E68-G70 VanDerWaalsContact C-N 3.26Å; E68-G70 PolarHBondContact O-N 2.83Å; G70-F73 WeakPolarHBondContact O-CB 3.35Å; G70-K130 PolarHBondContact O-NZ 3.01Å
71S84.9Confident89.7Confident84 Ų8465.2 Ų65.259%0.58732%0.316SS*.THydrogen-bonded Turntrans-70.5-4017659.70000112E68 L69 F73E68-S71 PolarHBondContact O-OG 3.27Å; L69-S71 PolarHBondContact O-N 3.04Å; S71-F73 VanDerWaalsContact C-N 3.3Å; S71-F73 PolarHBondContact O-N 3.49Å
72F87.3Confident89.9Confident127 Ų12765.2 Ų65.256%0.55732%0.316SS*.THydrogen-bonded Turntrans-83-4.5179.4-58.7-76.7000113.7L69 T74 E75 Y76L69-F72 PolarHBondContact O-N 2.65Å; F72-T74 VanDerWaalsContact C-N 3.28Å; F72-T74 PolarHBondContact O-N 3.48Å; F72-E75 WeakPolarHBondContact O-CB 3.42Å; F72-E75 PolarHBondContact O-N 3.19Å; F72-Y76 PolarHBondContact O-N 3.25Å
73F86.7Confident90Very high0 Ų062.4 Ų62.40%031%0.311CS..Hα-helixtrans-55.8-41-173.2-169.8-86.2000113.6W33 V61 L65 L69 G70 S71 E75 Y76 L77 F124 V127W33-F73 AromaticContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CE2 4.03Å; W33-F73 HydrophobicContact CZ3-CD2 4.01Å; W33-F73 AromaticContact CZ3-CE2 3.99Å; W33-F73 HydrophobicContact CZ3-CE2 3.99Å; V61-F73 HydrophobicContact CG1-CE2 4.17Å; V61-F73 HydrophobicContact CG1-CZ 3.89Å; V61-F73 HydrophobicContact CG2-CZ 4.29Å; L65-F73 HydrophobicContact CD2-CB 4.06Å; L65-F73 HydrophobicContact CD2-CD1 4.38Å; L65-F73 HydrophobicContact CD2-CD2 4.23Å; L65-F73 HydrophobicContact CD2-CG 3.95Å; L69-F73 PolarHBondContact O-N 3.23Å; G70-F73 WeakPolarHBondContact O-CB 3.35Å; S71-F73 VanDerWaalsContact C-N 3.3Å; S71-F73 PolarHBondContact O-N 3.49Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.42Å; F73-Y76 PolarHBondContact O-N 2.84Å; F73-L77 WeakPolarHBondContact O-CB 3.34Å; F73-L77 PolarHBondContact O-N 2.82Å; F73-F124 AromaticContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CE1 4.06Å; F73-F124 HydrophobicContact CE2-CE1 4.47Å; F73-F124 AromaticContact CZ-CD1 3.47Å; F73-F124 HydrophobicContact CZ-CD1 3.47Å; F73-F124 VanDerWaalsContact CZ-CD1 3.47Å; F73-F124 AromaticContact CZ-CE1 3.45Å; F73-F124 HydrophobicContact CZ-CE1 3.45Å; F73-F124 VanDerWaalsContact CZ-CE1 3.45Å; F73-V127 HydrophobicContact CD1-CG1 4.07Å; F73-V127 HydrophobicContact CD1-CG2 4.01Å; F73-V127 HydrophobicContact CE1-CG1 4.21Å; F73-V127 HydrophobicContact CE1-CG2 3.46Å; F73-V127 VanDerWaalsContact CE1-CG2 3.46Å; F73-V127 HydrophobicContact CZ-CG2 4Å
74T87.8Confident90.3Very high33 Ų3363 Ų6320%0.20231%0.312CS..Hα-helixtrans-65.3-37.9179.5-60.60000111.9F72 Q78 L137F72-T74 VanDerWaalsContact C-N 3.28Å; F72-T74 PolarHBondContact O-N 3.48Å; T74-Q78 VanDerWaalsContact CG2-NE2 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.23Å; T74-Q78 PolarHBondContact O-NE2 2.99Å; T74-L137 HydrophobicContact CG2-CD1 4.19Å
75E90.6Very high90.7Very high108 Ų10862.9 Ų62.951%0.50531%0.312SS..Hα-helixtrans-68.1-44.2175.7-174.4-176.5166.100110.7F72 F73 L77 Q78 N79F72-E75 WeakPolarHBondContact O-CB 3.42Å; F72-E75 PolarHBondContact O-N 3.19Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.42Å; E75-L77 PolarHBondContact O-N 3.37Å; E75-Q78 PolarHBondContact O-N 2.95Å; E75-N79 WeakPolarHBondContact CG-ND2 3.44Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 3.39Å
76Y90.4Very high91Very high51 Ų5160.7 Ų60.720%0.230%0.3CS..Hα-helixtrans-60-46.4175.9177.9-96.6000112.3W33 F72 F73 Q78 Q80 L81W33-Y76 AromaticContact CE3-CD1 3.94Å; W33-Y76 HydrophobicContact CE3-CD1 3.94Å; W33-Y76 AromaticContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE2 4.32Å; W33-Y76 HydrophobicContact CE3-CG 4.46Å; W33-Y76 AromaticContact CE3-CZ 3.74Å; W33-Y76 HydrophobicContact CH2-CD1 4.02Å; W33-Y76 HydrophobicContact CH2-CE1 4.44Å; W33-Y76 HydrophobicContact CH2-CG 4.21Å; W33-Y76 AromaticContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD2 4.37Å; W33-Y76 AromaticContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE2 4.45Å; W33-Y76 AromaticContact CZ3-CG 3.8Å; W33-Y76 HydrophobicContact CZ3-CG 3.8Å; W33-Y76 AromaticContact CZ3-CZ 3.96Å; F72-Y76 PolarHBondContact O-N 3.25Å; F73-Y76 PolarHBondContact O-N 2.84Å; Y76-Q78 VanDerWaalsContact C-N 3.27Å; Y76-Q78 PolarHBondContact O-N 3.45Å; Y76-Q80 HydrophobicContact CD2-CB 3.84Å; Y76-Q80 HydrophobicContact CD2-CG 3.64Å; Y76-Q80 HydrophobicContact CE2-CB 3.72Å; Y76-Q80 HydrophobicContact CE2-CG 3.77Å; Y76-Q80 HydrophobicContact CG-CB 4.42Å; Y76-Q80 HydrophobicContact CG-CG 4.49Å; Y76-Q80 VanDerWaalsContact O-CB 3.32Å; Y76-Q80 WeakPolarHBondContact O-CB 3.44Å; Y76-Q80 PolarHBondContact O-N 3.29Å; Y76-L81 HydrophobicContact CD1-CD1 4.02Å; Y76-L81 HydrophobicContact CD1-CG 4.02Å; Y76-L81 HydrophobicContact CE1-CD1 3.6Å; Y76-L81 HydrophobicContact CE1-CD2 3.8Å; Y76-L81 HydrophobicContact CE1-CG 3.52Å; Y76-L81 PolarHBondContact O-N 3Å
77L92.1Very high91.4Very high3 Ų354.7 Ų54.72%0.01628%0.278CS..Iπ-helixtrans-55.7-44176.3177.561000111.2F73 E75 L81 L82 F124 V134 L137F73-L77 WeakPolarHBondContact O-CB 3.34Å; F73-L77 PolarHBondContact O-N 2.82Å; E75-L77 PolarHBondContact O-N 3.37Å; L77-L81 HydrophobicContact CD1-CB 4.24Å; L77-L81 HydrophobicContact CD1-CD1 4.03Å; L77-L82 HydrophobicContact CD1-CD1 4.3Å; L77-L82 HydrophobicContact CD1-CG 4.07Å; L77-L82 HydrophobicContact CG-CD1 3.99Å; L77-L82 HydrophobicContact CG-CG 4.24Å; L77-L82 WeakPolarHBondContact O-CB 3.42Å; L77-L82 VanDerWaalsContact O-CG 3.25Å; L77-L82 WeakPolarHBondContact O-CG 3.49Å; L77-L82 PolarHBondContact O-N 3.18Å; L77-F124 HydrophobicContact CD1-CD2 3.91Å; L77-F124 HydrophobicContact CD1-CE2 3.47Å; L77-F124 VanDerWaalsContact CD1-CE2 3.47Å; L77-F124 HydrophobicContact CD1-CZ 3.86Å; L77-V134 HydrophobicContact CD2-CB 4.49Å; L77-V134 HydrophobicContact CD2-CG1 4.37Å; L77-V134 HydrophobicContact CD2-CG2 3.91Å; L77-L137 HydrophobicContact CD2-CD1 4.03Å
78Q92.6Very high91.7Very high56 Ų5653.9 Ų53.926%0.26227%0.271SS..Iπ-helixtrans-71.1-58.6179.2-71.9177.160.500112.5T74 E75 Y76 T83 L137 H141T74-Q78 VanDerWaalsContact CG2-NE2 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.23Å; T74-Q78 PolarHBondContact O-NE2 2.99Å; E75-Q78 PolarHBondContact O-N 2.95Å; Y76-Q78 VanDerWaalsContact C-N 3.27Å; Y76-Q78 PolarHBondContact O-N 3.45Å; Q78-T83 PolarHBondContact O-N 3.12Å; Q78-T83 VanDerWaalsContact O-N 3.11Å; Q78-T83 PolarHBondContact O-OG1 2.94Å; Q78-L137 HydrophobicContact CG-CD1 3.92Å; Q78-L137 HydrophobicContact CG-CD2 3.63Å; Q78-L137 HydrophobicContact CG-CG 4.25Å; Q78-H141 WeakPolarHBondContact CA-NE2 3.46Å; Q78-H141 WeakPolarHBondContact CB-NE2 3.27Å; Q78-H141 PolarHBondContact O-NE2 3.4Å
79N92.8Very high92.3Very high82 Ų8245.4 Ų45.444%0.43923%0.232SC..Iπ-helixtrans-78.7-27.7-165.8-66.7-14.7000112.9E75 T83E75-N79 WeakPolarHBondContact CG-ND2 3.44Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 3.39Å; N79-T83 WeakPolarHBondContact O-CB 3.42Å
80Q92.3Very high93.1Very high103 Ų10344.4 Ų44.448%0.48122%0.223SC..Iπ-helixtrans-105.8-60.9-177.7-60.8-65.5-2000111Y76 K84Y76-Q80 HydrophobicContact CD2-CB 3.84Å; Y76-Q80 HydrophobicContact CD2-CG 3.64Å; Y76-Q80 HydrophobicContact CE2-CB 3.72Å; Y76-Q80 HydrophobicContact CE2-CG 3.77Å; Y76-Q80 HydrophobicContact CG-CB 4.42Å; Y76-Q80 HydrophobicContact CG-CG 4.49Å; Y76-Q80 VanDerWaalsContact O-CB 3.32Å; Y76-Q80 WeakPolarHBondContact O-CB 3.44Å; Y76-Q80 PolarHBondContact O-N 3.29Å; Q80-K84 WeakPolarHBondContact O-CB 3.21Å; Q80-K84 PolarHBondContact O-N 3.49Å; Q80-K84 VanDerWaalsContact O-N 3.11Å
81L95.9Very high93.7Very high0 Ų046.6 Ų46.60%023%0.233CC..Iπ-helixtrans-74.7-56.6-168.9-61.7-176000112.9I36 H37 V40 Y76 L77 G85 F124I36-L81 HydrophobicContact CG2-CD1 4.45Å; H37-L81 HydrophobicContact CB-CD2 4.11Å; H37-L81 VanDerWaalsContact ND1-CD2 3.32Å; H37-L81 WeakPolarHBondContact ND1-CD2 3.44Å; V40-L81 HydrophobicContact CB-CD2 4.39Å; V40-L81 HydrophobicContact CG1-CB 4.13Å; V40-L81 HydrophobicContact CG1-CD2 4.4Å; V40-L81 HydrophobicContact CG2-CD1 4.19Å; Y76-L81 HydrophobicContact CD1-CD1 4.02Å; Y76-L81 HydrophobicContact CD1-CG 4.02Å; Y76-L81 HydrophobicContact CE1-CD1 3.6Å; Y76-L81 HydrophobicContact CE1-CD2 3.8Å; Y76-L81 HydrophobicContact CE1-CG 3.52Å; Y76-L81 PolarHBondContact O-N 3Å; L77-L81 HydrophobicContact CD1-CB 4.24Å; L77-L81 HydrophobicContact CD1-CD1 4.03Å; L81-G85 PolarHBondContact O-N 3.29Å; L81-F124 HydrophobicContact CD1-CE1 4.34Å; L81-F124 HydrophobicContact CD1-CE2 4.28Å; L81-F124 HydrophobicContact CD1-CZ 3.52Å
82L97.3Very high94.1Very high0 Ų047.3 Ų47.30%023%0.226CC..Iπ-helixtrans-67.9-42.4-178.4-68.1175.6000110.9F44 L77 K84 G85 M86 L120 L137 A138 H141F44-L82 HydrophobicContact CZ-CD2 4.25Å; L77-L82 HydrophobicContact CD1-CD1 4.3Å; L77-L82 HydrophobicContact CD1-CG 4.07Å; L77-L82 HydrophobicContact CG-CD1 3.99Å; L77-L82 HydrophobicContact CG-CG 4.24Å; L77-L82 WeakPolarHBondContact O-CB 3.42Å; L77-L82 VanDerWaalsContact O-CG 3.25Å; L77-L82 WeakPolarHBondContact O-CG 3.49Å; L77-L82 PolarHBondContact O-N 3.18Å; L82-K84 PolarHBondContact O-N 3.39Å; L82-G85 PolarHBondContact O-N 3.49Å; L82-M86 WeakPolarHBondContact O-CB 3.48Å; L82-M86 WeakPolarHBondContact O-CG 3.06Å; L82-M86 PolarHBondContact O-N 3.48Å; L82-L120 HydrophobicContact CD2-CD1 3.8Å; L82-L137 HydrophobicContact CD1-CB 3.69Å; L82-A138 HydrophobicContact CD1-CB 4.49Å; L82-A138 HydrophobicContact CD2-CB 3.94Å; L82-H141 HydrophobicContact CB-CB 4.25Å
83T97.2Very high94.5Very high49 Ų4941.2 Ų41.230%0.30120%0.199SC..Hα-helixtrans-58.1-51.3176.5-63.10000111.5Q78 N79 V87 I145Q78-T83 PolarHBondContact O-N 3.12Å; Q78-T83 VanDerWaalsContact O-N 3.11Å; Q78-T83 PolarHBondContact O-OG1 2.94Å; N79-T83 WeakPolarHBondContact O-CB 3.42Å; T83-V87 VanDerWaalsContact O-CG2 3.3Å; T83-V87 WeakPolarHBondContact O-CG2 3.3Å; T83-V87 PolarHBondContact O-N 3.41Å; T83-V87 VanDerWaalsContact O-N 3.1Å; T83-I145 HydrophobicContact CG2-CD1 4.4Å
84K97.3Very high94.9Very high102 Ų10246.3 Ų46.344%0.44322%0.219SC..Hα-helixtrans-64.9-43.1178.9-171173.8-178.3-179.70112.2I41 Q80 L82 V87 I88I41-K84 HydrophobicContact CD1-CB 4.03Å; I41-K84 HydrophobicContact CD1-CD 3.77Å; I41-K84 HydrophobicContact CD1-CG 3.77Å; I41-K84 HydrophobicContact CG1-CD 4.33Å; Q80-K84 WeakPolarHBondContact O-CB 3.21Å; Q80-K84 PolarHBondContact O-N 3.49Å; Q80-K84 VanDerWaalsContact O-N 3.11Å; L82-K84 PolarHBondContact O-N 3.39Å; K84-V87 PolarHBondContact O-N 2.93Å; K84-I88 WeakPolarHBondContact O-CG1 3.29Å; K84-I88 PolarHBondContact O-N 2.93Å; K84-I88 VanDerWaalsContact O-N 3.11Å
85G97.9Very high95.2Very high0 Ų052.1 Ų52.10%024%0.241CC..Hα-helixtrans-60.3-46177.800000113.3F44 L81 L82 V87 I88 L89F44-G85 VanDerWaalsContact CD1-CA 3.49Å; F44-G85 WeakPolarHBondContact CD1-O 3.47Å; F44-G85 VanDerWaalsContact CE1-C 3.46Å; L81-G85 PolarHBondContact O-N 3.29Å; L82-G85 PolarHBondContact O-N 3.49Å; G85-V87 PolarHBondContact O-N 3.29Å; G85-I88 WeakPolarHBondContact O-CB 3.42Å; G85-I88 PolarHBondContact O-N 2.93Å; G85-L89 PolarHBondContact O-N 3.31Å
86M97.9Very high95.5Very high0 Ų050.8 Ų50.80%023%0.232CC..Hα-helixtrans-66.7-36.8177.7-67.7-56173.400112.6F44 L82 I88 L89 R90 F112 A138 H141 F142 I145 I146F44-M86 HydrophobicContact CE1-CE 4.37Å; F44-M86 HydrophobicContact CE1-SD 4.16Å; F44-M86 HydrophobicContact CZ-CE 4.44Å; L82-M86 WeakPolarHBondContact O-CB 3.48Å; L82-M86 WeakPolarHBondContact O-CG 3.06Å; L82-M86 PolarHBondContact O-N 3.48Å; M86-I88 VanDerWaalsContact C-N 3.31Å; M86-I88 PolarHBondContact O-N 2.95Å; M86-L89 PolarHBondContact O-N 3.34Å; M86-L89 HydrophobicContact SD-CD1 4.37Å; M86-R90 WeakPolarHBondContact O-CB 3.2Å; M86-R90 PolarHBondContact O-N 3.49Å; M86-F112 HydrophobicContact CE-CD2 4.14Å; M86-F112 HydrophobicContact CE-CE2 3.33Å; M86-F112 HydrophobicContact CE-CZ 3.65Å; M86-F112 HydrophobicContact SD-CD2 4.45Å; M86-F112 HydrophobicContact SD-CE2 4.19Å; M86-A138 WeakPolarHBondContact CE-O 3.5Å; M86-H141 HydrophobicContact CE-CB 3.99Å; M86-H141 HydrophobicContact CG-CB 3.88Å; M86-F142 HydrophobicContact CE-CB 3.89Å; M86-F142 HydrophobicContact SD-CB 4.05Å; M86-F142 HydrophobicContact SD-CD2 4.01Å; M86-F142 HydrophobicContact SD-CG 4.45Å; M86-I145 HydrophobicContact CB-CB 3.88Å; M86-I145 HydrophobicContact CB-CD1 3.81Å; M86-I145 HydrophobicContact CB-CG1 4.43Å; M86-I145 HydrophobicContact CB-CG2 3.7Å; M86-I145 HydrophobicContact CG-CD1 4.21Å; M86-I146 HydrophobicContact CB-CD1 4.39Å; M86-I146 HydrophobicContact CB-CG1 4.41Å; M86-I146 HydrophobicContact SD-CD1 3.88Å
87V97.6Very high95.8Very high44 Ų4452.9 Ų52.927%0.26724%0.244SC..Hα-helixtrans-60.4-42.2173.9167.10000110.7T83 K84 G85 L89 R90 D91 I145T83-V87 VanDerWaalsContact O-CG2 3.3Å; T83-V87 WeakPolarHBondContact O-CG2 3.3Å; T83-V87 PolarHBondContact O-N 3.41Å; T83-V87 VanDerWaalsContact O-N 3.1Å; K84-V87 PolarHBondContact O-N 2.93Å; G85-V87 PolarHBondContact O-N 3.29Å; V87-L89 VanDerWaalsContact C-N 3.3Å; V87-L89 PolarHBondContact O-N 2.96Å; V87-R90 PolarHBondContact O-N 3.01Å; V87-D91 WeakPolarHBondContact O-CB 3.31Å; V87-D91 PolarHBondContact O-N 3.48Å; V87-D91 VanDerWaalsContact O-OD1 3.07Å; V87-I145 HydrophobicContact CG2-CG2 4.29Å
88I96.9Very high96Very high35 Ų3552.9 Ų52.918%0.17924%0.244CC..Hα-helixtrans-57.7-42.8175.2-68165.4000111.4I41 Q45 K84 G85 M86I41-I88 HydrophobicContact CD1-CD1 4.17Å; I41-I88 HydrophobicContact CG2-CD1 3.88Å; Q45-I88 HydrophobicContact CG-CD1 4.33Å; Q45-I88 HydrophobicContact CG-CG2 4.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.29Å; K84-I88 PolarHBondContact O-N 2.93Å; K84-I88 VanDerWaalsContact O-N 3.11Å; G85-I88 WeakPolarHBondContact O-CB 3.42Å; G85-I88 PolarHBondContact O-N 2.93Å; M86-I88 VanDerWaalsContact C-N 3.31Å; M86-I88 PolarHBondContact O-N 2.95Å
89L98Very high96.2Very high2 Ų253.1 Ų53.11%0.0125%0.245CC..Hα-helixtrans-69.8-47178-62.5-177.9000112F44 G85 M86 V87 D91 K92 T108 F111 F112 I146F44-L89 HydrophobicContact CD1-CD1 3.77Å; F44-L89 HydrophobicContact CD1-CD2 4.4Å; F44-L89 HydrophobicContact CD1-CG 3.87Å; F44-L89 HydrophobicContact CE1-CD1 3.88Å; F44-L89 HydrophobicContact CE1-CG 4.4Å; G85-L89 PolarHBondContact O-N 3.31Å; M86-L89 PolarHBondContact O-N 3.34Å; M86-L89 HydrophobicContact SD-CD1 4.37Å; V87-L89 VanDerWaalsContact C-N 3.3Å; V87-L89 PolarHBondContact O-N 2.96Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 3.12Å; L89-K92 WeakPolarHBondContact O-CB 3.28Å; L89-K92 PolarHBondContact O-N 2.79Å; L89-T108 HydrophobicContact CB-CG2 4.04Å; L89-F111 HydrophobicContact CD2-CD1 4.08Å; L89-F111 HydrophobicContact CD2-CE1 3.87Å; L89-F112 HydrophobicContact CD1-CB 4.2Å; L89-F112 HydrophobicContact CD1-CD2 4.05Å; L89-F112 HydrophobicContact CD1-CG 4.48Å; L89-I146 HydrophobicContact CB-CD1 3.71Å; L89-I146 HydrophobicContact CD1-CD1 4.28Å
90R97.8Very high96.4Very high48 Ų4854.9 Ų54.918%0.18125%0.249CC..Hα-helixtrans-58.6-42.9179.5-172.3-163.361.4-166.9-6.8111.5M86 V87 K92 I93 R94 I145 I146 I150M86-R90 WeakPolarHBondContact O-CB 3.2Å; M86-R90 PolarHBondContact O-N 3.49Å; V87-R90 PolarHBondContact O-N 3.01Å; R90-K92 PolarHBondContact O-N 3.07Å; R90-I93 WeakPolarHBondContact O-CG1 3.45Å; R90-I93 PolarHBondContact O-N 3.31Å; R90-R94 HydrophobicContact CG-CB 4.4Å; R90-R94 WeakPolarHBondContact O-CB 3.4Å; R90-R94 PolarHBondContact O-N 2.92Å; R90-I145 WeakPolarHBondContact CD-O 3.49Å; R90-I146 HydrophobicContact CB-CG1 4.15Å; R90-I150 HydrophobicContact CG-CG2 4.24Å
91D96.8Very high96.7Very high51 Ų5150 Ų5027%0.27323%0.226SC..Hα-helixtrans-65.1-24.9-174.4-72.910.7000112.2V87 L89 I93 R94V87-D91 WeakPolarHBondContact O-CB 3.31Å; V87-D91 PolarHBondContact O-N 3.48Å; V87-D91 VanDerWaalsContact O-OD1 3.07Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 3.12Å; D91-I93 VanDerWaalsContact C-N 3.32Å; D91-R94 VanDerWaalsContact CG-CZ 3.48Å; D91-R94 IonicContact OD1-CZ 3.79Å; D91-R94 IonicContact OD1-NE 3.88Å; D91-R94 IonicContact OD1-NH1 2.82Å; D91-R94 PolarHBondContact OD1-NH1 3.48Å; D91-R94 IonicContact OD2-CZ 2.7Å; D91-R94 IonicContact OD2-NH1 3.49Å; D91-R94 PolarHBondContact OD2-NH1 3.11Å; D91-R94 IonicContact OD2-NH2 3.6Å
92K92.5Very high96.8Very high99 Ų9950 Ų5043%0.4323%0.226SC..Hα-helixtrans-71.5-22.7171.7-66.4177.6178.6-177.40113.7L89 R90 Y96L89-K92 WeakPolarHBondContact O-CB 3.28Å; L89-K92 PolarHBondContact O-N 2.79Å; R90-K92 PolarHBondContact O-N 3.07Å; K92-Y96 WeakPolarHBondContact O-CE2 3.36Å
93I95.9Very high96.8Very high0 Ų053.2 Ų53.20%024%0.244CC..Hα-helixtrans-119.4-20.1-171.272.5174.9000114.9R90 D91 F95 Y96 L101 T104 L105 T108 I146 I150R90-I93 WeakPolarHBondContact O-CG1 3.45Å; R90-I93 PolarHBondContact O-N 3.31Å; D91-I93 VanDerWaalsContact C-N 3.32Å; I93-F95 PolarHBondContact O-N 3.47Å; I93-Y96 HydrophobicContact CB-CD2 4.44Å; I93-Y96 PolarHBondContact O-N 3.44Å; I93-L101 WeakPolarHBondContact O-CD1 3.49Å; I93-T104 HydrophobicContact CB-CG2 4.44Å; I93-T104 HydrophobicContact CG2-CG2 3.55Å; I93-L105 HydrophobicContact CD1-CB 4.49Å; I93-L105 HydrophobicContact CD1-CD1 3.69Å; I93-T108 WeakPolarHBondContact CG2-OG1 3.41Å; I93-I146 HydrophobicContact CD1-CG2 3.65Å; I93-I150 HydrophobicContact CD1-CD1 4.06Å; I93-I150 HydrophobicContact CD1-CG2 4.43Å; I93-I150 HydrophobicContact CG1-CG2 4.33Å
94R95.2Very high96.9Very high106 Ų10652 Ų5240%0.424%0.236SC..THydrogen-bonded Turntrans-59.9-20.4-171.968.2-178.1-178.5-152.5-4115.3R90 D91R90-R94 HydrophobicContact CG-CB 4.4Å; R90-R94 WeakPolarHBondContact O-CB 3.4Å; R90-R94 PolarHBondContact O-N 2.92Å; D91-R94 VanDerWaalsContact CG-CZ 3.48Å; D91-R94 IonicContact OD1-CZ 3.79Å; D91-R94 IonicContact OD1-NE 3.88Å; D91-R94 IonicContact OD1-NH1 2.82Å; D91-R94 PolarHBondContact OD1-NH1 3.48Å; D91-R94 IonicContact OD2-CZ 2.7Å; D91-R94 IonicContact OD2-NH1 3.49Å; D91-R94 PolarHBondContact OD2-NH1 3.11Å; D91-R94 IonicContact OD2-NH2 3.6Å
95F95.1Very high97Very high156 Ų15647.1 Ų47.168%0.68422%0.215SC*.THydrogen-bonded Turntrans-92.3-7.4179.9-61-68.6000113.4I93I93-F95 PolarHBondContact O-N 3.47Å
96Y96.9Very high97Very high80 Ų8047.5 Ų47.531%0.31422%0.218SC..  trans-85.5153.2176.4-61-48.2000111.4K92 I93 K100 L101 T104K92-Y96 WeakPolarHBondContact O-CE2 3.36Å; I93-Y96 HydrophobicContact CB-CD2 4.44Å; I93-Y96 PolarHBondContact O-N 3.44Å; Y96-K100 HydrophobicContact CD1-CD 3.61Å; Y96-K100 VanDerWaalsContact CD1-CE 3.49Å; Y96-K100 HydrophobicContact CD1-CG 4Å; Y96-K100 HydrophobicContact CE1-CD 3.89Å; Y96-K100 HydrophobicContact CG-CD 4.26Å; Y96-K100 HydrophobicContact CG-CG 4.14Å; Y96-L101 WeakPolarHBondContact O-CD1 3.43Å; Y96-T104 HydrophobicContact CD2-CG2 3.94Å; Y96-T104 HydrophobicContact CE2-CG2 3.83Å
97E95.9Very high97Very high95 Ų9553.4 Ų53.444%0.44425%0.245SC..  trans-137.9158.2177.4-61.8-167.6168.400111.4L101 K151 R158E97-L101 PolarHBondContact O-N 2.92Å; E97-K151 HydrophobicContact CG-CD 4.47Å; E97-K151 IonicContact OE1-NZ 2.7Å; E97-K151 PolarHBondContact OE1-NZ 3.37Å; E97-R158 IonicContact OE2-NH2 3.8Å
98G96.1Very high97.1Very high2 Ų251.9 Ų51.92%0.02124%0.236CC..Hα-helixtrans62.6-138.7175.400000113.8K100 L101 L102 R158G98-K100 VanDerWaalsContact C-N 3.32Å; G98-K100 PolarHBondContact O-N 3.32Å; G98-L101 WeakPolarHBondContact O-CB 3.45Å; G98-L101 PolarHBondContact O-N 3.48Å; G98-L101 VanDerWaalsContact O-N 3.12Å; G98-L102 PolarHBondContact O-N 3.46Å; G98-L102 VanDerWaalsContact O-N 3.12Å; G98-R158 VanDerWaalsContact CA-CZ 3.45Å
99Q97.4Very high97.1Very high61 Ų6150.2 Ų50.229%0.28523%0.228SC..Hα-helixtrans-60-41.5-176.8-168.959.845.600112.3L101 L102 D103 R162Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.3Å; Q99-L102 WeakPolarHBondContact O-CB 3.44Å; Q99-L102 PolarHBondContact O-N 2.86Å; Q99-D103 PolarHBondContact NE2-OD1 3.36Å; Q99-D103 VanDerWaalsContact O-CG 3.28Å; Q99-D103 PolarHBondContact O-N 2.88Å; Q99-R162 PolarHBondContact NE2-O 3.46Å; Q99-R162 PolarHBondContact OE1-O 2.84Å
100K97Very high97.2Very high119 Ų11952.9 Ų52.952%0.51724%0.242SC..Hα-helixtrans-61.4-36.9177.5-172174.4-176.7-177.10112.1Y96 G98 T104Y96-K100 HydrophobicContact CD1-CD 3.61Å; Y96-K100 VanDerWaalsContact CD1-CE 3.49Å; Y96-K100 HydrophobicContact CD1-CG 4Å; Y96-K100 HydrophobicContact CE1-CD 3.89Å; Y96-K100 HydrophobicContact CG-CD 4.26Å; Y96-K100 HydrophobicContact CG-CG 4.14Å; G98-K100 VanDerWaalsContact C-N 3.32Å; G98-K100 PolarHBondContact O-N 3.32Å; K100-T104 WeakPolarHBondContact O-CB 3.41Å; K100-T104 PolarHBondContact O-N 3.1Å; K100-T104 PolarHBondContact O-OG1 3.47Å
101L98.1Very high97.2Very high0 Ų051.3 Ų51.30%024%0.237CC..Hα-helixtrans-62.7-45.5172.9-179.865.3000110.9I93 Y96 E97 G98 Q99 L105 I150 K151 A155I93-L101 WeakPolarHBondContact O-CD1 3.49Å; Y96-L101 WeakPolarHBondContact O-CD1 3.43Å; E97-L101 PolarHBondContact O-N 2.92Å; G98-L101 WeakPolarHBondContact O-CB 3.45Å; G98-L101 PolarHBondContact O-N 3.48Å; G98-L101 VanDerWaalsContact O-N 3.12Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.3Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 2.97Å; L101-I150 HydrophobicContact CD1-CD1 4.32Å; L101-K151 HydrophobicContact CD2-CB 4.37Å; L101-K151 WeakPolarHBondContact CD2-O 3.09Å; L101-A155 HydrophobicContact CD2-CB 3.97Å
102L98.3Very high97.3Very high0 Ų048.9 Ų48.90%022%0.224CC..Hα-helixtrans-61.9-49.2179.1-60.3179.6000111.2G98 Q99 T104 L105 A106 L152 A155 L156 A161 P164 I167G98-L102 PolarHBondContact O-N 3.46Å; G98-L102 VanDerWaalsContact O-N 3.12Å; Q99-L102 WeakPolarHBondContact O-CB 3.44Å; Q99-L102 PolarHBondContact O-N 2.86Å; L102-T104 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-A106 WeakPolarHBondContact O-CB 3.05Å; L102-A106 PolarHBondContact O-N 3.38Å; L102-L152 HydrophobicContact CD2-CD1 3.6Å; L102-A155 HydrophobicContact CD2-CB 3.83Å; L102-A155 HydrophobicContact CG-CB 4.1Å; L102-L156 HydrophobicContact CD1-CD2 4.48Å; L102-L156 HydrophobicContact CD2-CD2 3.82Å; L102-L156 HydrophobicContact CD2-CG 4.34Å; L102-A161 HydrophobicContact CD1-CB 4.07Å; L102-P164 HydrophobicContact CB-CG 4.36Å; L102-I167 HydrophobicContact CB-CD1 3.75Å; L102-I167 HydrophobicContact CD2-CD1 3.65Å; L102-I167 HydrophobicContact CG-CD1 4.27Å; L102-I167 WeakPolarHBondContact O-CD1 3.39Å
103D98.2Very high97.6Very high68 Ų6846.1 Ų46.136%0.36421%0.212SC..Hα-helixtrans-62.4-45.4-179-59.7-24.5000111.1Q99 L105 A106 E107Q99-D103 PolarHBondContact NE2-OD1 3.36Å; Q99-D103 VanDerWaalsContact O-CG 3.28Å; Q99-D103 PolarHBondContact O-N 2.88Å; D103-L105 PolarHBondContact O-N 2.89Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 3.11Å; D103-E107 PolarHBondContact O-N 3.41Å; D103-E107 VanDerWaalsContact O-N 3.08Å
104T98.3Very high97.7Very high24 Ų2449.7 Ų49.715%0.14724%0.237CC..Hα-helixtrans-70.3-34.4179.4-42.50000112.1I93 Y96 K100 L102 A106 E107 T108I93-T104 HydrophobicContact CB-CG2 4.44Å; I93-T104 HydrophobicContact CG2-CG2 3.55Å; Y96-T104 HydrophobicContact CD2-CG2 3.94Å; Y96-T104 HydrophobicContact CE2-CG2 3.83Å; K100-T104 WeakPolarHBondContact O-CB 3.41Å; K100-T104 PolarHBondContact O-N 3.1Å; K100-T104 PolarHBondContact O-OG1 3.47Å; L102-T104 PolarHBondContact O-N 3.24Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-E107 PolarHBondContact O-N 3.27Å; T104-T108 WeakPolarHBondContact O-CB 3.48Å; T104-T108 PolarHBondContact O-N 3.05Å; T104-T108 PolarHBondContact O-OG1 3.16Å
105L98.6Very high97.8Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-65.4-40.3174.6177.962.1000110.9I93 L101 L102 D103 T108 W109 F142 I146 I150 L152 I167 M170I93-L105 HydrophobicContact CD1-CB 4.49Å; I93-L105 HydrophobicContact CD1-CD1 3.69Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 2.97Å; L102-L105 PolarHBondContact O-N 3.49Å; D103-L105 PolarHBondContact O-N 2.89Å; L105-T108 PolarHBondContact O-N 3.19Å; L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 3.38Å; L105-F142 HydrophobicContact CD1-CZ 4.38Å; L105-I146 HydrophobicContact CD1-CG2 4.13Å; L105-I150 HydrophobicContact CD1-CD1 3.81Å; L105-I150 HydrophobicContact CD2-CD1 3.71Å; L105-I150 HydrophobicContact CG-CD1 4.28Å; L105-L152 HydrophobicContact CD2-CD1 3.69Å; L105-L152 HydrophobicContact CD2-CD2 3.93Å; L105-L152 HydrophobicContact CD2-CG 4.36Å; L105-I167 HydrophobicContact CD2-CD1 4.27Å; L105-M170 HydrophobicContact CD1-SD 4.31Å; L105-M170 HydrophobicContact CD2-CE 3.91Å; L105-M170 HydrophobicContact CG-CE 4.31Å; L105-M170 HydrophobicContact CG-SD 4.36Å
106A98.6Very high97.9Very high7 Ų741.5 Ų41.56%0.05821%0.208CC..Hα-helixtrans-59.4-49.9174.100000111.2L102 D103 T104 T108 W109 D110 P164 I167L102-A106 WeakPolarHBondContact O-CB 3.05Å; L102-A106 PolarHBondContact O-N 3.38Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 3.11Å; T104-A106 VanDerWaalsContact C-N 3.34Å; A106-T108 VanDerWaalsContact C-N 3.28Å; A106-T108 PolarHBondContact O-N 3Å; A106-W109 PolarHBondContact O-N 3.12Å; A106-D110 VanDerWaalsContact O-CG 3.3Å; A106-D110 PolarHBondContact O-N 3.45Å; A106-P164 HydrophobicContact CB-CB 3.73Å; A106-P164 HydrophobicContact CB-CG 3.97Å; A106-I167 HydrophobicContact CB-CG1 4.16Å
107E98.4Very high98Very high124 Ų12437.7 Ų37.758%0.57919%0.193SC*.Hα-helixtrans-60.9-36.4176.2-69.1176.5-172.300113.1R46 D103 T104 F111R46-E107 PolarHBondContact NH2-O 2.76Å; D103-E107 PolarHBondContact O-N 3.41Å; D103-E107 VanDerWaalsContact O-N 3.08Å; T104-E107 PolarHBondContact O-N 3.27Å; E107-F111 WeakPolarHBondContact O-CB 3.33Å; E107-F111 PolarHBondContact O-N 3.33Å; E107-F111 VanDerWaalsContact O-N 3.16Å
108T98.5Very high98.1Very high12 Ų1235.8 Ų35.87%0.07419%0.189CC..Hα-helixtrans-71.3-40.1178.1-59.70000111.3L89 I93 T104 L105 A106 F112L89-T108 HydrophobicContact CB-CG2 4.04Å; I93-T108 WeakPolarHBondContact CG2-OG1 3.41Å; T104-T108 WeakPolarHBondContact O-CB 3.48Å; T104-T108 PolarHBondContact O-N 3.05Å; T104-T108 PolarHBondContact O-OG1 3.16Å; L105-T108 PolarHBondContact O-N 3.19Å; A106-T108 VanDerWaalsContact C-N 3.28Å; A106-T108 PolarHBondContact O-N 3Å; T108-F112 VanDerWaalsContact O-CB 3.3Å; T108-F112 WeakPolarHBondContact O-CB 3.46Å; T108-F112 PolarHBondContact O-N 2.92Å
109W98.7Very high98.2Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-63.2-49173.6169.4-104.8000111.4L105 A106 F111 F112 F113 L139 F142 M170 I173 L174L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 3.38Å; A106-W109 PolarHBondContact O-N 3.12Å; W109-F111 VanDerWaalsContact C-N 3.28Å; W109-F111 PolarHBondContact O-N 2.85Å; W109-F112 AromaticContact CE3-CD1 4Å; W109-F112 HydrophobicContact CE3-CD1 4Å; W109-F112 AromaticContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CE1 4.11Å; W109-F112 PolarHBondContact O-N 3.27Å; W109-F112 VanDerWaalsContact O-N 3.1Å; W109-F113 HydrophobicContact CD2-CB 4.21Å; W109-F113 HydrophobicContact CH2-CB 4.28Å; W109-F113 AromaticContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CD2 3.43Å; W109-F113 VanDerWaalsContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CE2 4.06Å; W109-F113 HydrophobicContact CH2-CG 4.13Å; W109-F113 HydrophobicContact CZ2-CB 3.88Å; W109-F113 AromaticContact CZ2-CD2 3.31Å; W109-F113 HydrophobicContact CZ2-CD2 3.31Å; W109-F113 AromaticContact CZ2-CE2 3.9Å; W109-F113 HydrophobicContact CZ2-CE2 3.9Å; W109-F113 AromaticContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ3-CD2 4.3Å; W109-F113 VanDerWaalsContact O-CB 3.31Å; W109-F113 WeakPolarHBondContact O-CB 3.28Å; W109-F113 PolarHBondContact O-N 3.02Å; W109-L139 HydrophobicContact CH2-CD2 3.77Å; W109-L139 HydrophobicContact CZ3-CD2 4.09Å; W109-F142 HydrophobicContact CB-CZ 4.3Å; W109-F142 HydrophobicContact CE3-CD1 4.09Å; W109-F142 HydrophobicContact CE3-CD2 4.41Å; W109-F142 AromaticContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE2 4.08Å; W109-F142 HydrophobicContact CE3-CG 4.42Å; W109-F142 AromaticContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CZ3-CD1 4.14Å; W109-F142 HydrophobicContact CZ3-CE1 4.28Å; W109-F142 HydrophobicContact CZ3-CG 4.33Å; W109-M170 HydrophobicContact CB-SD 4.01Å; W109-M170 HydrophobicContact CD2-CB 3.48Å; W109-M170 VanDerWaalsContact CD2-CB 3.48Å; W109-M170 HydrophobicContact CD2-CG 3.47Å; W109-M170 VanDerWaalsContact CD2-CG 3.47Å; W109-M170 HydrophobicContact CD2-SD 4.07Å; W109-M170 HydrophobicContact CE3-CB 4.03Å; W109-M170 HydrophobicContact CE3-CG 3.47Å; W109-M170 VanDerWaalsContact CE3-CG 3.47Å; W109-M170 HydrophobicContact CE3-SD 4.01Å; W109-M170 HydrophobicContact CG-CB 3.68Å; W109-M170 HydrophobicContact CG-CG 3.94Å; W109-M170 HydrophobicContact CG-SD 4.08Å; W109-M170 HydrophobicContact CH2-CB 4.47Å; W109-M170 HydrophobicContact CH2-CG 4.22Å; W109-M170 HydrophobicContact CZ2-CB 4.04Å; W109-M170 HydrophobicContact CZ2-CG 4.28Å; W109-M170 HydrophobicContact CZ3-CB 4.48Å; W109-M170 HydrophobicContact CZ3-CG 3.85Å; W109-I173 HydrophobicContact CH2-CB 4.38Å; W109-I173 HydrophobicContact CH2-CG2 4.05Å; W109-I173 HydrophobicContact CZ2-CB 4.3Å; W109-I173 HydrophobicContact CZ2-CD1 3.81Å; W109-I173 HydrophobicContact CZ2-CG2 4.32Å; W109-L174 HydrophobicContact CZ3-CD2 4.4Å
110D98.6Very high98.1Very high59 Ų5935.8 Ų35.832%0.31619%0.189SC..Hα-helixtrans-59.9-42.8-177.6-71.7-21.8000110.9A106 S114 S166A106-D110 VanDerWaalsContact O-CG 3.3Å; A106-D110 PolarHBondContact O-N 3.45Å; D110-S114 WeakPolarHBondContact O-CB 3.21Å; D110-S114 PolarHBondContact O-N 3.49Å; D110-S114 PolarHBondContact O-OG 3.32Å; D110-S166 VanDerWaalsContact OD1-CB 3.23Å; D110-S166 WeakPolarHBondContact OD1-CB 3.43Å; D110-S166 PolarHBondContact OD1-OG 3.34Å; D110-S166 VanDerWaalsContact OD1-OG 3.08Å; D110-S166 PolarHBondContact OD2-OG 2.94Å
111F98.4Very high98.1Very high14 Ų1433.6 Ų33.66%0.06118%0.181CC..Hα-helixtrans-64.5-46.2172.9169.4-116.7000113.3V43 R46 L89 E107 W109 F113 D115 V116V43-F111 WeakPolarHBondContact O-CZ 3.33Å; R46-F111 HydrophobicContact CB-CE2 4.35Å; R46-F111 HydrophobicContact CB-CZ 4.11Å; R46-F111 HydrophobicContact CG-CD1 4.11Å; R46-F111 HydrophobicContact CG-CD2 3.93Å; R46-F111 HydrophobicContact CG-CE1 3.52Å; R46-F111 HydrophobicContact CG-CE2 3.38Å; R46-F111 HydrophobicContact CG-CG 4.29Å; R46-F111 HydrophobicContact CG-CZ 3.13Å; R46-F111 VanDerWaalsContact NH1-CD2 3.33Å; L89-F111 HydrophobicContact CD2-CD1 4.08Å; L89-F111 HydrophobicContact CD2-CE1 3.87Å; E107-F111 WeakPolarHBondContact O-CB 3.33Å; E107-F111 PolarHBondContact O-N 3.33Å; E107-F111 VanDerWaalsContact O-N 3.16Å; W109-F111 VanDerWaalsContact C-N 3.28Å; W109-F111 PolarHBondContact O-N 2.85Å; F111-F113 VanDerWaalsContact C-N 3.34Å; F111-F113 PolarHBondContact O-N 3Å; F111-D115 HydrophobicContact CD2-CB 3.72Å; F111-D115 WeakPolarHBondContact CD2-OD2 3.42Å; F111-D115 HydrophobicContact CE2-CB 3.68Å; F111-D115 WeakPolarHBondContact O-CA 3.2Å; F111-D115 VanDerWaalsContact O-CB 3.31Å; F111-D115 WeakPolarHBondContact O-CB 3.34Å; F111-D115 PolarHBondContact O-N 2.96Å; F111-V116 HydrophobicContact CD1-CG2 3.97Å; F111-V116 HydrophobicContact CD2-CG2 4.48Å; F111-V116 HydrophobicContact CE1-CG2 3.38Å; F111-V116 HydrophobicContact CE2-CG2 3.91Å; F111-V116 HydrophobicContact CG-CG2 4.48Å; F111-V116 HydrophobicContact CZ-CG2 3.31Å; F111-V116 PolarHBondContact O-N 3.42Å; F111-V116 VanDerWaalsContact O-N 3.13Å
112F98.6Very high98Very high0 Ų035.1 Ų35.10%019%0.193CC..Iπ-helixtrans-61.3-46.7178.9169.3-100000111.2F44 M86 L89 T108 W109 V116 L117 A138 L139 F142F44-F112 HydrophobicContact CE1-CD2 4.42Å; F44-F112 HydrophobicContact CE1-CE2 4.48Å; M86-F112 HydrophobicContact CE-CD2 4.14Å; M86-F112 HydrophobicContact CE-CE2 3.33Å; M86-F112 HydrophobicContact CE-CZ 3.65Å; M86-F112 HydrophobicContact SD-CD2 4.45Å; M86-F112 HydrophobicContact SD-CE2 4.19Å; L89-F112 HydrophobicContact CD1-CB 4.2Å; L89-F112 HydrophobicContact CD1-CD2 4.05Å; L89-F112 HydrophobicContact CD1-CG 4.48Å; T108-F112 VanDerWaalsContact O-CB 3.3Å; T108-F112 WeakPolarHBondContact O-CB 3.46Å; T108-F112 PolarHBondContact O-N 2.92Å; W109-F112 AromaticContact CE3-CD1 4Å; W109-F112 HydrophobicContact CE3-CD1 4Å; W109-F112 AromaticContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CE1 4.11Å; W109-F112 PolarHBondContact O-N 3.27Å; W109-F112 VanDerWaalsContact O-N 3.1Å; F112-V116 HydrophobicContact CD2-CB 3.96Å; F112-V116 HydrophobicContact CD2-CG1 3.95Å; F112-V116 HydrophobicContact CE2-CG1 4.19Å; F112-V116 PolarHBondContact O-N 2.87Å; F112-L117 HydrophobicContact CE1-CB 4.38Å; F112-L117 HydrophobicContact CE1-CD2 4.46Å; F112-L117 HydrophobicContact CZ-CB 4.24Å; F112-L117 VanDerWaalsContact O-CB 3.23Å; F112-L117 WeakPolarHBondContact O-CB 3.33Å; F112-L117 PolarHBondContact O-N 3.19Å; F112-A138 HydrophobicContact CE2-CB 4.41Å; F112-A138 HydrophobicContact CZ-CB 3.92Å; F112-L139 HydrophobicContact CE1-CD2 4.06Å; F112-F142 HydrophobicContact CB-CD2 4.03Å; F112-F142 HydrophobicContact CB-CE2 3.74Å; F112-F142 HydrophobicContact CD1-CB 4.48Å; F112-F142 AromaticContact CD1-CD2 3.38Å; F112-F142 HydrophobicContact CD1-CD2 3.38Å; F112-F142 AromaticContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CG 4.07Å; F112-F142 AromaticContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CE1-CB 4.02Å; F112-F142 AromaticContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CG 4.1Å; F112-F142 HydrophobicContact CE2-CD2 4.33Å; F112-F142 AromaticContact CG-CD2 3.48Å; F112-F142 HydrophobicContact CG-CD2 3.48Å; F112-F142 VanDerWaalsContact CG-CD2 3.48Å; F112-F142 AromaticContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CZ-CB 4.21Å; F112-F142 HydrophobicContact CZ-CD2 4.23Å
113F98.5Very high97.9Very high42 Ų4235.1 Ų35.118%0.18419%0.193CC..Iπ-helixtrans-76.9-34.5-173-168.6-99.1000113W109 F111 L117 P118 R135 L139 I173W109-F113 HydrophobicContact CD2-CB 4.21Å; W109-F113 HydrophobicContact CH2-CB 4.28Å; W109-F113 AromaticContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CD2 3.43Å; W109-F113 VanDerWaalsContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CE2 4.06Å; W109-F113 HydrophobicContact CH2-CG 4.13Å; W109-F113 HydrophobicContact CZ2-CB 3.88Å; W109-F113 AromaticContact CZ2-CD2 3.31Å; W109-F113 HydrophobicContact CZ2-CD2 3.31Å; W109-F113 AromaticContact CZ2-CE2 3.9Å; W109-F113 HydrophobicContact CZ2-CE2 3.9Å; W109-F113 AromaticContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ3-CD2 4.3Å; W109-F113 VanDerWaalsContact O-CB 3.31Å; W109-F113 WeakPolarHBondContact O-CB 3.28Å; W109-F113 PolarHBondContact O-N 3.02Å; F111-F113 VanDerWaalsContact C-N 3.34Å; F111-F113 PolarHBondContact O-N 3Å; F113-L117 HydrophobicContact CD2-CD2 3.83Å; F113-L117 HydrophobicContact CE2-CD2 4.06Å; F113-P118 VanDerWaalsContact O-CD 3.27Å; F113-P118 WeakPolarHBondContact O-CD 3.34Å; F113-R135 VanDerWaalsContact CZ-NH2 3.3Å; F113-L139 HydrophobicContact CD2-CD2 4.42Å; F113-I173 HydrophobicContact CE1-CD1 4.32Å; F113-I173 HydrophobicContact CE2-CD1 3.83Å; F113-I173 HydrophobicContact CE2-CG2 4.09Å; F113-I173 HydrophobicContact CZ-CD1 3.69Å
114S98.1Very high97.7Very high75 Ų7532.1 Ų32.152%0.52418%0.177SC..Iπ-helixtrans-92.6-30.6-175.7-48.40000113.2D110 P118D110-S114 WeakPolarHBondContact O-CB 3.21Å; D110-S114 PolarHBondContact O-N 3.49Å; D110-S114 PolarHBondContact O-OG 3.32Å; S114-P118 WeakPolarHBondContact O-CG 3.25Å
115D97.5Very high97.5Very high89 Ų8936.8 Ų36.848%0.47619%0.193SC..Iπ-helixtrans-112.9-58.6-175.7-55.7-80.2000111.9F111 M119F111-D115 HydrophobicContact CD2-CB 3.72Å; F111-D115 WeakPolarHBondContact CD2-OD2 3.42Å; F111-D115 HydrophobicContact CE2-CB 3.68Å; F111-D115 WeakPolarHBondContact O-CA 3.2Å; F111-D115 VanDerWaalsContact O-CB 3.31Å; F111-D115 WeakPolarHBondContact O-CB 3.34Å; F111-D115 PolarHBondContact O-N 2.96Å; D115-M119 VanDerWaalsContact O-CB 3.24Å; D115-M119 WeakPolarHBondContact O-CB 3.38Å; D115-M119 PolarHBondContact O-N 2.77Å; D115-M119 VanDerWaalsContact O-N 3.13Å
116V98.2Very high97.3Very high0 Ų038 Ų380%020%0.201CC..Iπ-helixtrans-66.3-50.7-171.7178.30000111.4V43 F44 F111 F112 M119 L120V43-V116 HydrophobicContact CG1-CB 4.22Å; V43-V116 HydrophobicContact CG1-CG1 4.06Å; V43-V116 HydrophobicContact CG1-CG2 4.21Å; F44-V116 HydrophobicContact CD1-CG1 3.89Å; F44-V116 HydrophobicContact CD2-CG1 4.26Å; F44-V116 HydrophobicContact CE1-CG1 3.65Å; F44-V116 HydrophobicContact CE2-CG1 4.02Å; F44-V116 HydrophobicContact CG-CG1 4.2Å; F44-V116 HydrophobicContact CZ-CG1 3.71Å; F111-V116 HydrophobicContact CD1-CG2 3.97Å; F111-V116 HydrophobicContact CD2-CG2 4.48Å; F111-V116 HydrophobicContact CE1-CG2 3.38Å; F111-V116 HydrophobicContact CE2-CG2 3.91Å; F111-V116 HydrophobicContact CG-CG2 4.48Å; F111-V116 HydrophobicContact CZ-CG2 3.31Å; F111-V116 PolarHBondContact O-N 3.42Å; F111-V116 VanDerWaalsContact O-N 3.13Å; F112-V116 HydrophobicContact CD2-CB 3.96Å; F112-V116 HydrophobicContact CD2-CG1 3.95Å; F112-V116 HydrophobicContact CE2-CG1 4.19Å; F112-V116 PolarHBondContact O-N 2.87Å; V116-M119 PolarHBondContact O-N 2.88Å; V116-L120 HydrophobicContact CG1-CD1 3.8Å; V116-L120 HydrophobicContact CG1-CG 4.13Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 2.93Å
117L98.1Very high96.8Very high0 Ų038.3 Ų38.30%020%0.202CC..Hα-helixtrans-62.9-49.8-175170.161.9000111.9F112 F113 M119 L120 Q121 R135 A138 L139F112-L117 HydrophobicContact CE1-CB 4.38Å; F112-L117 HydrophobicContact CE1-CD2 4.46Å; F112-L117 HydrophobicContact CZ-CB 4.24Å; F112-L117 VanDerWaalsContact O-CB 3.23Å; F112-L117 WeakPolarHBondContact O-CB 3.33Å; F112-L117 PolarHBondContact O-N 3.19Å; F113-L117 HydrophobicContact CD2-CD2 3.83Å; F113-L117 HydrophobicContact CE2-CD2 4.06Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3Å; L117-L120 PolarHBondContact O-N 3.39Å; L117-Q121 HydrophobicContact CD1-CG 4.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.3Å; L117-Q121 PolarHBondContact O-N 3.39Å; L117-R135 HydrophobicContact CD1-CB 4.19Å; L117-R135 HydrophobicContact CD1-CG 4.15Å; L117-R135 HydrophobicContact CD2-CG 4.37Å; L117-R135 VanDerWaalsContact CD2-NH1 3.29Å; L117-A138 HydrophobicContact CD1-CB 3.93Å; L117-L139 HydrophobicContact CD2-CD2 4.2Å; L117-L139 HydrophobicContact CD2-CG 4.39Å
118P97.6Very high96Very high56 Ų5638.8 Ų38.836%0.36420%0.204SC..Hα-helixtrans-59.2-38.7173.4-28.338.9000112.8F113 S114 Q121 A122F113-P118 VanDerWaalsContact O-CD 3.27Å; F113-P118 WeakPolarHBondContact O-CD 3.34Å; S114-P118 WeakPolarHBondContact O-CG 3.25Å; P118-Q121 WeakPolarHBondContact O-CB 3.49Å; P118-Q121 PolarHBondContact O-N 2.94Å; P118-A122 WeakPolarHBondContact O-CB 3.27Å; P118-A122 PolarHBondContact O-N 3.23Å
119M97.6Very high95Very high63 Ų6342.2 Ų42.231%0.3124%0.242SC..Hα-helixtrans-67.8-40.2178.2-164.957.352.700112.4V43 L49 L54 D115 V116 L117 Q121 A122 I123V43-M119 HydrophobicContact CB-CG 4.44Å; V43-M119 HydrophobicContact CG1-CB 3.87Å; V43-M119 HydrophobicContact CG1-CG 3.98Å; V43-M119 HydrophobicContact CG2-CB 4.35Å; V43-M119 HydrophobicContact CG2-CG 3.54Å; L49-M119 HydrophobicContact CD1-CG 4.17Å; L49-M119 HydrophobicContact CD1-SD 3.83Å; L54-M119 HydrophobicContact CD1-SD 4.19Å; D115-M119 VanDerWaalsContact O-CB 3.24Å; D115-M119 WeakPolarHBondContact O-CB 3.38Å; D115-M119 PolarHBondContact O-N 2.77Å; D115-M119 VanDerWaalsContact O-N 3.13Å; V116-M119 PolarHBondContact O-N 2.88Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3Å; M119-Q121 VanDerWaalsContact C-N 3.33Å; M119-Q121 PolarHBondContact O-N 2.93Å; M119-A122 PolarHBondContact O-N 3Å; M119-A122 VanDerWaalsContact O-N 3.16Å; M119-I123 HydrophobicContact CG-CD1 4.18Å; M119-I123 VanDerWaalsContact O-CG1 3.29Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.42Å
120L97Very high94.1Very high0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-60.3-44.2171.4-70.8172.4000111V40 F44 L82 V116 L117 A122 I123 F124 V134 A138V40-L120 HydrophobicContact CG1-CD2 3.76Å; V40-L120 HydrophobicContact CG2-CD2 4.27Å; F44-L120 HydrophobicContact CE2-CD1 4.06Å; F44-L120 HydrophobicContact CE2-CD2 4.12Å; F44-L120 HydrophobicContact CZ-CD1 3.94Å; L82-L120 HydrophobicContact CD2-CD1 3.8Å; V116-L120 HydrophobicContact CG1-CD1 3.8Å; V116-L120 HydrophobicContact CG1-CG 4.13Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 2.93Å; L117-L120 PolarHBondContact O-N 3.39Å; L120-A122 VanDerWaalsContact C-N 3.25Å; L120-A122 PolarHBondContact O-N 3.19Å; L120-I123 PolarHBondContact O-N 2.91Å; L120-F124 HydrophobicContact CB-CD2 4.47Å; L120-F124 HydrophobicContact CD2-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.92Å; L120-F124 WeakPolarHBondContact O-CB 3.2Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.35Å; L120-V134 HydrophobicContact CB-CG1 4.18Å; L120-A138 HydrophobicContact CD1-CB 4.27Å
121Q96.3Very high93.2Very high73 Ų7352.2 Ų52.234%0.34129%0.286SS..Hα-helixtrans-62.2-34.6175.6-68.7178.6-81.200111.9L117 P118 M119 F124 Y125L117-Q121 HydrophobicContact CD1-CG 4.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.3Å; L117-Q121 PolarHBondContact O-N 3.39Å; P118-Q121 WeakPolarHBondContact O-CB 3.49Å; P118-Q121 PolarHBondContact O-N 2.94Å; M119-Q121 VanDerWaalsContact C-N 3.33Å; M119-Q121 PolarHBondContact O-N 2.93Å; Q121-F124 CarbonylContact O-C 3.59Å; Q121-Y125 WeakPolarHBondContact O-CA 3.4Å; Q121-Y125 PolarHBondContact O-N 3.42Å
122A96.1Very high92.7Very high32 Ų3254.2 Ų54.226%0.26430%0.3SS..Hα-helixtrans-73.7-42.6177.300000112.8L54 N58 P118 M119 L120 F124L54-A122 HydrophobicContact CD1-CB 4.01Å; L54-A122 HydrophobicContact CD2-CB 4.16Å; N58-A122 PolarHBondContact ND2-O 3.5Å; N58-A122 PolarHBondContact OD1-O 3.15Å; P118-A122 WeakPolarHBondContact O-CB 3.27Å; P118-A122 PolarHBondContact O-N 3.23Å; M119-A122 PolarHBondContact O-N 3Å; M119-A122 VanDerWaalsContact O-N 3.16Å; L120-A122 VanDerWaalsContact C-N 3.25Å; L120-A122 PolarHBondContact O-N 3.19Å; A122-F124 VanDerWaalsContact C-N 3.33Å
123I95.5Very high92.4Very high0 Ų057 Ų570%032%0.319CS..Hα-helixtrans-63.2-42.8175.5-68.5166.2000110.2V40 V43 L49 L54 L57 M119 L120V40-I123 HydrophobicContact CG2-CD1 4.08Å; V40-I123 HydrophobicContact CG2-CG2 4.4Å; V43-I123 HydrophobicContact CG2-CD1 4.22Å; L49-I123 HydrophobicContact CD1-CD1 4.15Å; L49-I123 HydrophobicContact CD1-CG1 4.31Å; L54-I123 HydrophobicContact CD1-CB 4.42Å; L54-I123 HydrophobicContact CD1-CG1 3.66Å; L57-I123 HydrophobicContact CB-CG2 4.25Å; L57-I123 HydrophobicContact CD1-CD1 4.1Å; L57-I123 HydrophobicContact CD1-CG1 4.05Å; L57-I123 HydrophobicContact CD1-CG2 4.49Å; M119-I123 HydrophobicContact CG-CD1 4.18Å; M119-I123 VanDerWaalsContact O-CG1 3.29Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.42Å; L120-I123 PolarHBondContact O-N 2.91Å
124F95Very high92.3Very high4 Ų455.9 Ų55.92%0.01832%0.316CS..THydrogen-bonded Turntrans-98.619.2-175.7-60.2-57000114I36 V40 V61 F73 L77 L81 L120 Q121 A122 P126 V127 V134I36-F124 HydrophobicContact CG2-CE1 3.97Å; I36-F124 HydrophobicContact CG2-CZ 4.13Å; V40-F124 HydrophobicContact CG2-CE2 3.92Å; V40-F124 HydrophobicContact CG2-CZ 3.69Å; V61-F124 HydrophobicContact CG1-CD1 4.35Å; V61-F124 HydrophobicContact CG2-CD1 3.92Å; V61-F124 HydrophobicContact CG2-CE1 3.95Å; F73-F124 AromaticContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CE1 4.06Å; F73-F124 HydrophobicContact CE2-CE1 4.47Å; F73-F124 AromaticContact CZ-CD1 3.47Å; F73-F124 HydrophobicContact CZ-CD1 3.47Å; F73-F124 VanDerWaalsContact CZ-CD1 3.47Å; F73-F124 AromaticContact CZ-CE1 3.45Å; F73-F124 HydrophobicContact CZ-CE1 3.45Å; F73-F124 VanDerWaalsContact CZ-CE1 3.45Å; L77-F124 HydrophobicContact CD1-CD2 3.91Å; L77-F124 HydrophobicContact CD1-CE2 3.47Å; L77-F124 VanDerWaalsContact CD1-CE2 3.47Å; L77-F124 HydrophobicContact CD1-CZ 3.86Å; L81-F124 HydrophobicContact CD1-CE1 4.34Å; L81-F124 HydrophobicContact CD1-CE2 4.28Å; L81-F124 HydrophobicContact CD1-CZ 3.52Å; L120-F124 HydrophobicContact CB-CD2 4.47Å; L120-F124 HydrophobicContact CD2-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.92Å; L120-F124 WeakPolarHBondContact O-CB 3.2Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.35Å; Q121-F124 CarbonylContact O-C 3.59Å; A122-F124 VanDerWaalsContact C-N 3.33Å; F124-P126 VanDerWaalsContact O-N 3.17Å; F124-V127 HydrophobicContact CB-CG2 4.04Å; F124-V127 HydrophobicContact CD1-CG2 4.33Å; F124-V127 WeakPolarHBondContact O-CB 3.33Å; F124-V127 WeakPolarHBondContact O-CG2 3.28Å; F124-V127 PolarHBondContact O-N 3.47Å; F124-V134 HydrophobicContact CB-CG1 4.35Å; F124-V134 HydrophobicContact CB-CG2 3.68Å; F124-V134 HydrophobicContact CD2-CG1 4.11Å; F124-V134 HydrophobicContact CG-CG2 4.44Å
125Y94.5Very high92.2Very high122 Ų12256.3 Ų56.348%0.47831%0.306SS..G310 helixtrans-49.1-37.5172.6-179.4-89.6000113.5Q121 V127 Q128Q121-Y125 WeakPolarHBondContact O-CA 3.4Å; Q121-Y125 PolarHBondContact O-N 3.42Å; Y125-V127 PolarHBondContact O-N 3.49Å; Y125-V127 VanDerWaalsContact O-N 3.12Å; Y125-Q128 WeakPolarHBondContact O-CG 3Å; Y125-Q128 PolarHBondContact O-N 2.97Å
126P93.1Very high92.1Very high27 Ų2754.3 Ų54.318%0.17529%0.294CS..G310 helixtrans-68.4-10.1179.5-20.534.7000115.1N58 V61 R62 L65 F124 Q128N58-P126 VanDerWaalsContact OD1-CD 3.27Å; N58-P126 WeakPolarHBondContact OD1-CD 3.24Å; V61-P126 HydrophobicContact CB-CG 4.31Å; V61-P126 HydrophobicContact CG1-CB 4.1Å; V61-P126 HydrophobicContact CG1-CG 4.11Å; R62-P126 HydrophobicContact CG-CB 3.56Å; R62-P126 HydrophobicContact CG-CG 3.64Å; L65-P126 HydrophobicContact CD1-CB 4.1Å; L65-P126 WeakPolarHBondContact CD1-O 3.47Å; F124-P126 VanDerWaalsContact O-N 3.17Å; P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 2.92Å
127V88.4Confident91.9Very high13 Ų1354.6 Ų54.68%0.07930%0.295CS..G310 helixtrans-90.610.8-177.2-1640000111.6V61 L65 F73 F124 Y125 K130V61-V127 HydrophobicContact CG1-CG2 3.75Å; L65-V127 HydrophobicContact CD1-CG2 4.01Å; F73-V127 HydrophobicContact CD1-CG1 4.07Å; F73-V127 HydrophobicContact CD1-CG2 4.01Å; F73-V127 HydrophobicContact CE1-CG1 4.21Å; F73-V127 HydrophobicContact CE1-CG2 3.46Å; F73-V127 VanDerWaalsContact CE1-CG2 3.46Å; F73-V127 HydrophobicContact CZ-CG2 4Å; F124-V127 HydrophobicContact CB-CG2 4.04Å; F124-V127 HydrophobicContact CD1-CG2 4.33Å; F124-V127 WeakPolarHBondContact O-CB 3.33Å; F124-V127 WeakPolarHBondContact O-CG2 3.28Å; F124-V127 PolarHBondContact O-N 3.47Å; Y125-V127 PolarHBondContact O-N 3.49Å; Y125-V127 VanDerWaalsContact O-N 3.12Å; V127-K130 HydrophobicContact CG1-CD 3.91Å; V127-K130 HydrophobicContact CG1-CG 4.37Å
128Q81Confident91.9Very high133 Ų13354.6 Ų54.662%0.62130%0.295SS*.THydrogen-bonded Turntrans-55.7144.6-179.6-81.61762.200113.2Y125 P126Y125-Q128 WeakPolarHBondContact O-CG 3Å; Y125-Q128 PolarHBondContact O-N 2.97Å; P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 2.92Å
129G78.3Confident91.9Very high84 Ų8452 Ų5287%0.86628%0.279SS*.THydrogen-bonded Turntrans89-4.9179.500000115.3
130K79.9Confident91.9Very high80 Ų8050 Ų5035%0.34827%0.269SS..PPolyproline II helixtrans-85.3124.9168.8-64.7-166.7-179.9-177.40110.5G70 V127 P132 S133G70-K130 PolarHBondContact O-NZ 3.01Å; V127-K130 HydrophobicContact CG1-CD 3.91Å; V127-K130 HydrophobicContact CG1-CG 4.37Å; K130-P132 CarbonylContact O-C 3.32Å; K130-P132 VanDerWaalsContact O-C 3.32Å; K130-S133 PolarHBondContact O-N 2.65Å
131E79.8Confident91.9Very high190 Ų19051.2 Ų51.289%0.88827%0.274SS*.SBendtrans-93.5134.2165.2-70.2-170.2166.100109.8
132P88Confident92Very high55 Ų5547.7 Ų47.736%0.35726%0.258SS..SBendcis-74.1148-430.3-35.8000113.4K130 Q136 L137K130-P132 CarbonylContact O-C 3.32Å; K130-P132 VanDerWaalsContact O-C 3.32Å; P132-Q136 HydrophobicContact CB-CB 4.12Å; P132-Q136 HydrophobicContact CB-CG 4Å; P132-L137 HydrophobicContact CB-CD2 4.12Å; P132-L137 HydrophobicContact CB-CG 4.19Å; P132-L137 HydrophobicContact CG-CD1 4.27Å; P132-L137 HydrophobicContact CG-CD2 3.39Å; P132-L137 HydrophobicContact CG-CG 3.78Å
133S92.9Very high92Very high59 Ų5946.2 Ų46.241%0.41325%0.246SC..PPolyproline II helixtrans-65.2158.3179.173.10000112.4K130 R135 Q136 L137K130-S133 PolarHBondContact O-N 2.65Å; S133-R135 PolarHBondContact O-N 2.94Å; S133-Q136 WeakPolarHBondContact O-CB 3.42Å; S133-Q136 PolarHBondContact O-N 3.2Å; S133-Q136 PolarHBondContact OG-N 3.29Å; S133-Q136 VanDerWaalsContact OG-N 3.15Å; S133-L137 PolarHBondContact O-N 2.7Å
134V95.1Very high92.1Very high18 Ų1848.4 Ų48.411%0.10926%0.257CS..Hα-helixtrans-53.8-38.7174.9175.40000111.6L77 L120 F124 L137 A138L77-V134 HydrophobicContact CD2-CB 4.49Å; L77-V134 HydrophobicContact CD2-CG1 4.37Å; L77-V134 HydrophobicContact CD2-CG2 3.91Å; L120-V134 HydrophobicContact CB-CG1 4.18Å; F124-V134 HydrophobicContact CB-CG1 4.35Å; F124-V134 HydrophobicContact CB-CG2 3.68Å; F124-V134 HydrophobicContact CD2-CG1 4.11Å; F124-V134 HydrophobicContact CG-CG2 4.44Å; V134-L137 PolarHBondContact O-N 3.22Å; V134-A138 VanDerWaalsContact O-CB 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 3.11Å
135R96Very high92.2Very high84 Ų8449.3 Ų49.332%0.31726%0.262SS..Hα-helixtrans-62.8-48175.3176.2174.8-17889.92.5111.9F113 L117 S133 L137 A138 L139F113-R135 VanDerWaalsContact CZ-NH2 3.3Å; L117-R135 HydrophobicContact CD1-CB 4.19Å; L117-R135 HydrophobicContact CD1-CG 4.15Å; L117-R135 HydrophobicContact CD2-CG 4.37Å; L117-R135 VanDerWaalsContact CD2-NH1 3.29Å; S133-R135 PolarHBondContact O-N 2.94Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.42Å; R135-A138 PolarHBondContact O-N 3.42Å; R135-L139 HydrophobicContact CG-CD1 3.74Å; R135-L139 HydrophobicContact CG-CG 4.44Å; R135-L139 WeakPolarHBondContact O-CB 3.29Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.4Å; R135-L139 PolarHBondContact O-N 3.46Å
136Q95.1Very high92.3Very high47 Ų4743.5 Ų43.522%0.2224%0.239CC..Hα-helixtrans-60.2-46.7179.1-173.169.3200110.8P132 S133 L139 L140 V177 H178P132-Q136 HydrophobicContact CB-CB 4.12Å; P132-Q136 HydrophobicContact CB-CG 4Å; S133-Q136 WeakPolarHBondContact O-CB 3.42Å; S133-Q136 PolarHBondContact O-N 3.2Å; S133-Q136 PolarHBondContact OG-N 3.29Å; S133-Q136 VanDerWaalsContact OG-N 3.15Å; Q136-L139 PolarHBondContact O-N 2.93Å; Q136-L140 HydrophobicContact CG-CD1 4.19Å; Q136-L140 WeakPolarHBondContact O-CB 3.38Å; Q136-L140 VanDerWaalsContact O-CG 3.32Å; Q136-L140 WeakPolarHBondContact O-CG 3.17Å; Q136-L140 PolarHBondContact O-N 3.34Å; Q136-V177 HydrophobicContact CG-CG1 4.4Å; Q136-V177 VanDerWaalsContact NE2-CG1 3.32Å; Q136-H178 VanDerWaalsContact NE2-N 3.14Å; Q136-H178 PolarHBondContact NE2-O 3.36Å
137L95.6Very high92.5Very high6 Ų642.3 Ų42.33%0.03123%0.231CC..Hα-helixtrans-60.7-47.9178-70.9176.8000112.1T74 L77 Q78 L82 P132 S133 V134 R135 L139 L140 H141T74-L137 HydrophobicContact CG2-CD1 4.19Å; L77-L137 HydrophobicContact CD2-CD1 4.03Å; Q78-L137 HydrophobicContact CG-CD1 3.92Å; Q78-L137 HydrophobicContact CG-CD2 3.63Å; Q78-L137 HydrophobicContact CG-CG 4.25Å; L82-L137 HydrophobicContact CD1-CB 3.69Å; P132-L137 HydrophobicContact CB-CD2 4.12Å; P132-L137 HydrophobicContact CB-CG 4.19Å; P132-L137 HydrophobicContact CG-CD1 4.27Å; P132-L137 HydrophobicContact CG-CD2 3.39Å; P132-L137 HydrophobicContact CG-CG 3.78Å; S133-L137 PolarHBondContact O-N 2.7Å; V134-L137 PolarHBondContact O-N 3.22Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.42Å; L137-L139 PolarHBondContact O-N 3.12Å; L137-L140 PolarHBondContact O-N 2.92Å; L137-H141 PolarHBondContact O-CD2 3.48Å; L137-H141 PolarHBondContact O-N 3.22Å
138A97.6Very high92.9Very high0 Ų043.7 Ų43.70%024%0.238CC..Hα-helixtrans-63.5-42-179.700000111.8L82 M86 F112 L117 L120 V134 R135 H141 F142L82-A138 HydrophobicContact CD1-CB 4.49Å; L82-A138 HydrophobicContact CD2-CB 3.94Å; M86-A138 WeakPolarHBondContact CE-O 3.5Å; F112-A138 HydrophobicContact CE2-CB 4.41Å; F112-A138 HydrophobicContact CZ-CB 3.92Å; L117-A138 HydrophobicContact CD1-CB 3.93Å; L120-A138 HydrophobicContact CD1-CB 4.27Å; V134-A138 VanDerWaalsContact O-CB 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 3.11Å; R135-A138 PolarHBondContact O-N 3.42Å; A138-H141 PolarHBondContact O-N 3.41Å; A138-F142 PolarHBondContact O-N 3.32Å
139L97.9Very high93.6Very high3 Ų342.1 Ų42.12%0.01623%0.234CC..Hα-helixtrans-66.9-40.8176.5-69.3168.6000112.3W109 F112 F113 L117 R135 Q136 L137 H141 F142 R143 I173 L174 V177W109-L139 HydrophobicContact CH2-CD2 3.77Å; W109-L139 HydrophobicContact CZ3-CD2 4.09Å; F112-L139 HydrophobicContact CE1-CD2 4.06Å; F113-L139 HydrophobicContact CD2-CD2 4.42Å; L117-L139 HydrophobicContact CD2-CD2 4.2Å; L117-L139 HydrophobicContact CD2-CG 4.39Å; R135-L139 HydrophobicContact CG-CD1 3.74Å; R135-L139 HydrophobicContact CG-CG 4.44Å; R135-L139 WeakPolarHBondContact O-CB 3.29Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.4Å; R135-L139 PolarHBondContact O-N 3.46Å; Q136-L139 PolarHBondContact O-N 2.93Å; L137-L139 PolarHBondContact O-N 3.12Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.08Å; L139-F142 PolarHBondContact O-N 3.01Å; L139-R143 PolarHBondContact O-N 3.35Å; L139-I173 HydrophobicContact CD1-CG2 4.27Å; L139-I173 HydrophobicContact CD2-CG2 4.12Å; L139-L174 HydrophobicContact CB-CD2 4.12Å; L139-L174 HydrophobicContact CD2-CD2 4.06Å; L139-L174 WeakPolarHBondContact O-CD2 3.49Å; L139-V177 HydrophobicContact CB-CB 4.43Å; L139-V177 HydrophobicContact CB-CG1 3.87Å; L139-V177 HydrophobicContact CB-CG2 3.87Å; L139-V177 HydrophobicContact CD1-CG2 3.79Å; L139-V177 HydrophobicContact CG-CG2 4.44Å
140L95.8Very high94.4Very high19 Ų1939 Ų3910%0.09920%0.197CC..Hα-helixtrans-59.5-45.2173.8-79174.1000111.5Q136 L137 R143 N144 V177 E179Q136-L140 HydrophobicContact CG-CD1 4.19Å; Q136-L140 WeakPolarHBondContact O-CB 3.38Å; Q136-L140 VanDerWaalsContact O-CG 3.32Å; Q136-L140 WeakPolarHBondContact O-CG 3.17Å; Q136-L140 PolarHBondContact O-N 3.34Å; L137-L140 PolarHBondContact O-N 2.92Å; L140-R143 WeakPolarHBondContact O-CB 3.48Å; L140-R143 PolarHBondContact O-N 2.88Å; L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 3.11Å; L140-V177 HydrophobicContact CB-CG1 4.4Å; L140-V177 HydrophobicContact CD2-CG1 3.61Å; L140-V177 HydrophobicContact CG-CG1 3.53Å; L140-E179 HydrophobicContact CD1-CG 4.27Å; L140-E179 HydrophobicContact CD2-CG 3.8Å
141H97.3Very high95.2Very high26 Ų2640.4 Ų40.412%0.1220%0.203CC..Hα-helixtrans-66.9-37.6177.8-83.2-68.4000112.3Q78 L82 M86 L137 A138 L139 N144 I145Q78-H141 WeakPolarHBondContact CA-NE2 3.46Å; Q78-H141 WeakPolarHBondContact CB-NE2 3.27Å; Q78-H141 PolarHBondContact O-NE2 3.4Å; L82-H141 HydrophobicContact CB-CB 4.25Å; M86-H141 HydrophobicContact CE-CB 3.99Å; M86-H141 HydrophobicContact CG-CB 3.88Å; L137-H141 PolarHBondContact O-CD2 3.48Å; L137-H141 PolarHBondContact O-N 3.22Å; A138-H141 PolarHBondContact O-N 3.41Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.08Å; H141-N144 PolarHBondContact O-N 3.48Å; H141-I145 HydrophobicContact CB-CD1 4.31Å; H141-I145 VanDerWaalsContact O-CB 3.25Å; H141-I145 WeakPolarHBondContact O-CB 3.45Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.07Å
142F98.4Very high96Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-60.1-48.2173.4-168-76.7000110.6M86 L105 W109 F112 A138 L139 I146 T147 M170 L174M86-F142 HydrophobicContact CE-CB 3.89Å; M86-F142 HydrophobicContact SD-CB 4.05Å; M86-F142 HydrophobicContact SD-CD2 4.01Å; M86-F142 HydrophobicContact SD-CG 4.45Å; L105-F142 HydrophobicContact CD1-CZ 4.38Å; W109-F142 HydrophobicContact CB-CZ 4.3Å; W109-F142 HydrophobicContact CE3-CD1 4.09Å; W109-F142 HydrophobicContact CE3-CD2 4.41Å; W109-F142 AromaticContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE2 4.08Å; W109-F142 HydrophobicContact CE3-CG 4.42Å; W109-F142 AromaticContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CZ3-CD1 4.14Å; W109-F142 HydrophobicContact CZ3-CE1 4.28Å; W109-F142 HydrophobicContact CZ3-CG 4.33Å; F112-F142 HydrophobicContact CB-CD2 4.03Å; F112-F142 HydrophobicContact CB-CE2 3.74Å; F112-F142 HydrophobicContact CD1-CB 4.48Å; F112-F142 AromaticContact CD1-CD2 3.38Å; F112-F142 HydrophobicContact CD1-CD2 3.38Å; F112-F142 AromaticContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CG 4.07Å; F112-F142 AromaticContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CE1-CB 4.02Å; F112-F142 AromaticContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CG 4.1Å; F112-F142 HydrophobicContact CE2-CD2 4.33Å; F112-F142 AromaticContact CG-CD2 3.48Å; F112-F142 HydrophobicContact CG-CD2 3.48Å; F112-F142 VanDerWaalsContact CG-CD2 3.48Å; F112-F142 AromaticContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CZ-CB 4.21Å; F112-F142 HydrophobicContact CZ-CD2 4.23Å; A138-F142 PolarHBondContact O-N 3.32Å; L139-F142 PolarHBondContact O-N 3.01Å; F142-I146 HydrophobicContact CD1-CB 4.41Å; F142-I146 HydrophobicContact CD2-CD1 3.77Å; F142-I146 HydrophobicContact CE1-CB 4.3Å; F142-I146 HydrophobicContact CE1-CG2 4.37Å; F142-I146 HydrophobicContact CE2-CD1 3.73Å; F142-I146 HydrophobicContact CG-CD1 4.32Å; F142-I146 HydrophobicContact CZ-CB 4.47Å; F142-I146 HydrophobicContact CZ-CD1 4.24Å; F142-I146 HydrophobicContact CZ-CG2 4.28Å; F142-I146 WeakPolarHBondContact O-CA 3.21Å; F142-I146 VanDerWaalsContact O-CB 3.27Å; F142-I146 WeakPolarHBondContact O-CB 3.28Å; F142-I146 PolarHBondContact O-N 3.19Å; F142-T147 PolarHBondContact O-N 3.48Å; F142-T147 VanDerWaalsContact O-N 3.12Å; F142-M170 HydrophobicContact CD1-SD 4.48Å; F142-M170 HydrophobicContact CE1-CG 4.28Å; F142-M170 HydrophobicContact CE1-SD 3.53Å; F142-M170 VanDerWaalsContact CE1-SD 3.53Å; F142-M170 HydrophobicContact CZ-SD 4.13Å; F142-L174 HydrophobicContact CD1-CD1 4.15Å
143R97.2Very high96.4Very high0 Ų031.7 Ų31.70%016%0.16CC..Iπ-helixtrans-55.5-54.8176.6-172.8-167.671.3-176.912.7111.4L139 L140 T147 L148 L174 V177 E179 L190L139-R143 PolarHBondContact O-N 3.35Å; L140-R143 WeakPolarHBondContact O-CB 3.48Å; L140-R143 PolarHBondContact O-N 2.88Å; R143-T147 WeakPolarHBondContact O-CB 3.41Å; R143-T147 PolarHBondContact O-N 3.28Å; R143-L148 HydrophobicContact CG-CD1 4.14Å; R143-L148 HydrophobicContact CG-CG 4.31Å; R143-L148 WeakPolarHBondContact O-CB 3.25Å; R143-L148 WeakPolarHBondContact O-CG 3.34Å; R143-L148 PolarHBondContact O-N 3.11Å; R143-L174 HydrophobicContact CB-CD1 4.13Å; R143-L174 HydrophobicContact CB-CD2 4.18Å; R143-L174 HydrophobicContact CG-CD1 4.4Å; R143-V177 PolarHBondContact NH1-O 2.99Å; R143-E179 IonicContact CZ-OE1 3.49Å; R143-E179 IonicContact NH2-OE1 2.64Å; R143-E179 PolarHBondContact NH2-OE1 2.74Å; R143-E179 IonicContact NH2-OE2 3.95Å; R143-L190 HydrophobicContact CG-CD1 4.49Å; R143-L190 HydrophobicContact CG-CD2 4.19Å
144N96.2Very high96.5Very high47 Ų4733 Ų3325%0.25116%0.162SC..Iπ-helixtrans-75.2-38.8-170.4-68.1-5.6000112.9L140 H141 E179L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 3.11Å; H141-N144 PolarHBondContact O-N 3.48Å; N144-E179 PolarHBondContact ND2-OE1 2.86Å
145I97.3Very high96.6Very high23 Ų2332.1 Ų32.112%0.11816%0.157CC..Iπ-helixtrans-90-30.3-174.1-61.3173.9000111.7T83 M86 V87 R90 H141 N149T83-I145 HydrophobicContact CG2-CD1 4.4Å; M86-I145 HydrophobicContact CB-CB 3.88Å; M86-I145 HydrophobicContact CB-CD1 3.81Å; M86-I145 HydrophobicContact CB-CG1 4.43Å; M86-I145 HydrophobicContact CB-CG2 3.7Å; M86-I145 HydrophobicContact CG-CD1 4.21Å; V87-I145 HydrophobicContact CG2-CG2 4.29Å; R90-I145 WeakPolarHBondContact CD-O 3.49Å; H141-I145 HydrophobicContact CB-CD1 4.31Å; H141-I145 VanDerWaalsContact O-CB 3.25Å; H141-I145 WeakPolarHBondContact O-CB 3.45Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.07Å; I145-N149 VanDerWaalsContact O-CB 3.25Å; I145-N149 WeakPolarHBondContact O-CB 3.46Å
146I97.6Very high96.7Very high0 Ų029 Ų290%015%0.147CC..Iπ-helixtrans-109.5-69.6-175-49.2-173.2000110M86 L89 R90 I93 L105 F142 L148 N149 I150M86-I146 HydrophobicContact CB-CD1 4.39Å; M86-I146 HydrophobicContact CB-CG1 4.41Å; M86-I146 HydrophobicContact SD-CD1 3.88Å; L89-I146 HydrophobicContact CB-CD1 3.71Å; L89-I146 HydrophobicContact CD1-CD1 4.28Å; R90-I146 HydrophobicContact CB-CG1 4.15Å; I93-I146 HydrophobicContact CD1-CG2 3.65Å; L105-I146 HydrophobicContact CD1-CG2 4.13Å; F142-I146 HydrophobicContact CD1-CB 4.41Å; F142-I146 HydrophobicContact CD2-CD1 3.77Å; F142-I146 HydrophobicContact CE1-CB 4.3Å; F142-I146 HydrophobicContact CE1-CG2 4.37Å; F142-I146 HydrophobicContact CE2-CD1 3.73Å; F142-I146 HydrophobicContact CG-CD1 4.32Å; F142-I146 HydrophobicContact CZ-CB 4.47Å; F142-I146 HydrophobicContact CZ-CD1 4.24Å; F142-I146 HydrophobicContact CZ-CG2 4.28Å; F142-I146 WeakPolarHBondContact O-CA 3.21Å; F142-I146 VanDerWaalsContact O-CB 3.27Å; F142-I146 WeakPolarHBondContact O-CB 3.28Å; F142-I146 PolarHBondContact O-N 3.19Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 3.49Å; I146-N149 PolarHBondContact O-N 2.8Å; I146-N149 VanDerWaalsContact O-N 3.09Å; I146-I150 HydrophobicContact CG2-CD1 4.39Å; I146-I150 WeakPolarHBondContact O-CG1 3.39Å; I146-I150 WeakPolarHBondContact O-CG2 3.32Å; I146-I150 PolarHBondContact O-N 3.33Å
147T97.6Very high96.7Very high1 Ų130 Ų301%0.00616%0.159CC..Iπ-helixtrans-56.6-44.1-170.4-52.10000113.1F142 R143 L152 M170 L171 L174 L190 L193F142-T147 PolarHBondContact O-N 3.48Å; F142-T147 VanDerWaalsContact O-N 3.12Å; R143-T147 WeakPolarHBondContact O-CB 3.41Å; R143-T147 PolarHBondContact O-N 3.28Å; T147-L152 HydrophobicContact CG2-CD2 3.82Å; T147-M170 HydrophobicContact CG2-CE 4.3Å; T147-L171 HydrophobicContact CG2-CD2 3.85Å; T147-L174 HydrophobicContact CG2-CD1 4.25Å; T147-L174 WeakPolarHBondContact OG1-CD1 3.27Å; T147-L190 HydrophobicContact CG2-CD1 4.26Å; T147-L193 HydrophobicContact CG2-CD1 4.14Å
148L96.6Very high96.7Very high42 Ų4235 Ų3522%0.2218%0.178CC..THydrogen-bonded Turntrans-87.8-6.6-177.8-62.4180000114.2R143 I146 D186 K189 L190 L193R143-L148 HydrophobicContact CG-CD1 4.14Å; R143-L148 HydrophobicContact CG-CG 4.31Å; R143-L148 WeakPolarHBondContact O-CB 3.25Å; R143-L148 WeakPolarHBondContact O-CG 3.34Å; R143-L148 PolarHBondContact O-N 3.11Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 3.49Å; L148-D186 HydrophobicContact CD1-CB 3.69Å; L148-D186 WeakPolarHBondContact CD1-O 3.08Å; L148-K189 HydrophobicContact CD2-CB 3.89Å; L148-L190 HydrophobicContact CD2-CB 4.33Å; L148-L193 HydrophobicContact CD2-CD1 4.06Å
149N95.8Very high96.2Very high100 Ų10041 Ų4154%0.53522%0.22SC..THydrogen-bonded Turntrans-117.77.7-173.6-152.1-17.7000113.2I145 I146I145-N149 VanDerWaalsContact O-CB 3.25Å; I145-N149 WeakPolarHBondContact O-CB 3.46Å; I146-N149 PolarHBondContact O-N 2.8Å; I146-N149 VanDerWaalsContact O-N 3.09Å
150I95.6Very high95.8Very high19 Ų1952 Ų5210%0.09726%0.261CS..SBendtrans-112164.8169.966.4-175.5000109.1R90 I93 L101 L105 I146 L152R90-I150 HydrophobicContact CG-CG2 4.24Å; I93-I150 HydrophobicContact CD1-CD1 4.06Å; I93-I150 HydrophobicContact CD1-CG2 4.43Å; I93-I150 HydrophobicContact CG1-CG2 4.33Å; L101-I150 HydrophobicContact CD1-CD1 4.32Å; L105-I150 HydrophobicContact CD1-CD1 3.81Å; L105-I150 HydrophobicContact CD2-CD1 3.71Å; L105-I150 HydrophobicContact CG-CD1 4.28Å; I146-I150 HydrophobicContact CG2-CD1 4.39Å; I146-I150 WeakPolarHBondContact O-CG1 3.39Å; I146-I150 WeakPolarHBondContact O-CG2 3.32Å; I146-I150 PolarHBondContact O-N 3.33Å; I150-L152 HydrophobicContact CD1-CB 4.3Å; I150-L152 HydrophobicContact CG1-CB 3.92Å; I150-L152 PolarHBondContact O-N 3.49Å
151K95.1Very high95.7Very high109 Ų10952.6 Ų52.647%0.47427%0.269SS..THydrogen-bonded Turntrans-75.245.1178.7-57.6-174.5-174.5177.70113.1E97 L101 D154 A155E97-K151 HydrophobicContact CG-CD 4.47Å; E97-K151 IonicContact OE1-NZ 2.7Å; E97-K151 PolarHBondContact OE1-NZ 3.37Å; L101-K151 HydrophobicContact CD2-CB 4.37Å; L101-K151 WeakPolarHBondContact CD2-O 3.09Å; K151-D154 HydrophobicContact CB-CB 4.36Å; K151-A155 PolarHBondContact O-N 3.45Å; K151-A155 VanDerWaalsContact O-N 3.14Å
152L96.9Very high95.7Very high1 Ų161 Ų611%0.00530%0.299CS..Hα-helixtrans-66.9-39.5-178-178.856.5000111.2L102 L105 T147 I150 D154 A155 L156 M170 L171 L193L102-L152 HydrophobicContact CD2-CD1 3.6Å; L105-L152 HydrophobicContact CD2-CD1 3.69Å; L105-L152 HydrophobicContact CD2-CD2 3.93Å; L105-L152 HydrophobicContact CD2-CG 4.36Å; T147-L152 HydrophobicContact CG2-CD2 3.82Å; I150-L152 HydrophobicContact CD1-CB 4.3Å; I150-L152 HydrophobicContact CG1-CB 3.92Å; I150-L152 PolarHBondContact O-N 3.49Å; L152-D154 PolarHBondContact O-N 3.12Å; L152-A155 PolarHBondContact O-N 2.98Å; L152-A155 VanDerWaalsContact O-N 3.17Å; L152-L156 HydrophobicContact CD1-CD1 4.08Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.94Å; L152-L156 HydrophobicContact CG-CD1 3.96Å; L152-L156 HydrophobicContact CG-CG 4.27Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.4Å; L152-M170 HydrophobicContact CD2-CE 4.36Å; L152-L171 HydrophobicContact CD2-CD2 4.42Å; L152-L193 HydrophobicContact CB-CD2 4.42Å; L152-L193 HydrophobicContact CD2-CD1 4.07Å; L152-L193 HydrophobicContact CD2-CD2 4.46Å; L152-L193 HydrophobicContact CG-CD2 4.16Å
153D96.6Very high95.7Very high62 Ų6262.9 Ų62.933%0.33231%0.311SS..Hα-helixtrans-58.5-47.1178.1-164.471000111.9A155 L156 S157 L193 K196D153-A155 VanDerWaalsContact C-N 3.32Å; D153-A155 PolarHBondContact O-N 3.5Å; D153-L156 PolarHBondContact O-N 3.28Å; D153-S157 WeakPolarHBondContact O-CB 3.22Å; D153-S157 PolarHBondContact O-N 3.14Å; D153-S157 PolarHBondContact O-OG 3.49Å; D153-L193 HydrophobicContact CB-CD2 3.85Å; D153-K196 WeakPolarHBondContact OD1-CE 3.42Å; D153-K196 IonicContact OD1-NZ 2.66Å; D153-K196 PolarHBondContact OD1-NZ 3.46Å; D153-K196 IonicContact OD2-NZ 2.79Å; D153-K196 PolarHBondContact OD2-NZ 3.24Å
154D96.3Very high95.7Very high85 Ų8563.8 Ų63.846%0.45532%0.316SS..Hα-helixtrans-64.8-35.2176.8-63.8-26.9000112.2K151 L152 R158K151-D154 HydrophobicContact CB-CB 4.36Å; L152-D154 PolarHBondContact O-N 3.12Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-NE 3.15Å
155A96.9Very high95.8Very high1 Ų166.5 Ų66.51%0.00834%0.337CS..Hα-helixtrans-71.7-40.7179.200000111.9L101 L102 K151 L152 D153 A161L101-A155 HydrophobicContact CD2-CB 3.97Å; L102-A155 HydrophobicContact CD2-CB 3.83Å; L102-A155 HydrophobicContact CG-CB 4.1Å; K151-A155 PolarHBondContact O-N 3.45Å; K151-A155 VanDerWaalsContact O-N 3.14Å; L152-A155 PolarHBondContact O-N 2.98Å; L152-A155 VanDerWaalsContact O-N 3.17Å; D153-A155 VanDerWaalsContact C-N 3.32Å; D153-A155 PolarHBondContact O-N 3.5Å; A155-A161 WeakPolarHBondContact O-CB 3.46Å
156L96.9Very high95.9Very high17 Ų1766.6 Ų66.69%0.08934%0.339CS..Hα-helixtrans-71-29.8177.7-67.6176.8000112.9L102 L152 D153 R158 V163 L193 K196 V197L102-L156 HydrophobicContact CD1-CD2 4.48Å; L102-L156 HydrophobicContact CD2-CD2 3.82Å; L102-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 HydrophobicContact CD1-CD1 4.08Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.94Å; L152-L156 HydrophobicContact CG-CD1 3.96Å; L152-L156 HydrophobicContact CG-CG 4.27Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.4Å; D153-L156 PolarHBondContact O-N 3.28Å; L156-R158 PolarHBondContact O-N 2.88Å; L156-V163 HydrophobicContact CD2-CG1 4.2Å; L156-V163 HydrophobicContact CD2-CG2 3.68Å; L156-L193 HydrophobicContact CD1-CB 4.5Å; L156-L193 HydrophobicContact CD1-CD2 4.07Å; L156-K196 HydrophobicContact CB-CB 4.3Å; L156-K196 HydrophobicContact CB-CD 4.04Å; L156-K196 HydrophobicContact CD1-CB 4.44Å; L156-V197 HydrophobicContact CD1-CG1 3.9Å; L156-V197 HydrophobicContact CD2-CG1 3.63Å; L156-V197 HydrophobicContact CG-CG1 4.33Å
157S96.3Very high95.9Very high70 Ų7066.6 Ų66.649%0.4934%0.339SS..THydrogen-bonded Turntrans-74.2-9.6-178.5-53.50000114.2D153 K196D153-S157 WeakPolarHBondContact O-CB 3.22Å; D153-S157 PolarHBondContact O-N 3.14Å; D153-S157 PolarHBondContact O-OG 3.49Å; S157-K196 PolarHBondContact OG-NZ 3.4Å
158R94.6Very high95.9Very high110 Ų11069.1 Ų69.142%0.41535%0.352SS..SBendtrans-73.3131.3-177.9-68.5170.6-166.2-160.72.1109.9E97 G98 D154 L156 R160 A161E97-R158 IonicContact OE2-NH2 3.8Å; G98-R158 VanDerWaalsContact CA-CZ 3.45Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-NE 3.15Å; L156-R158 PolarHBondContact O-N 2.88Å; R158-R160 PolarHBondContact O-N 3.38Å; R158-A161 HydrophobicContact CB-CB 4.26Å; R158-A161 WeakPolarHBondContact O-CB 3.39Å; R158-A161 PolarHBondContact O-N 2.97Å
159S88.3Confident96Very high127 Ų12771.1 Ų71.189%0.88836%0.361SS*.THydrogen-bonded Turntrans-58.3-21.1-17858.90000115.3
160R89.1Confident96.1Very high233 Ų23366.4 Ų66.488%0.87934%0.335SS*.THydrogen-bonded Turntrans-107.812177.7-59.7-176.3-177.8176.70.6113.2R158 R162R158-R160 PolarHBondContact O-N 3.38Å; R160-R162 PolarHBondContact O-N 3.38Å
161A93.8Very high96.3Very high31 Ų3165.5 Ų65.526%0.25633%0.33SS..  trans-65.1123.5178.700000110.2L102 A155 R158L102-A161 HydrophobicContact CD1-CB 4.07Å; A155-A161 WeakPolarHBondContact O-CB 3.46Å; R158-A161 HydrophobicContact CB-CB 4.26Å; R158-A161 WeakPolarHBondContact O-CB 3.39Å; R158-A161 PolarHBondContact O-N 2.97Å
162R96.7Very high96.4Very high203 Ų20363.7 Ų63.777%0.76633%0.326SS*.  trans-100.3102.8169.6-178.4179.4177.8161.5-0.6107.7Q99 R160 P164Q99-R162 PolarHBondContact NE2-O 3.46Å; Q99-R162 PolarHBondContact OE1-O 2.84Å; R160-R162 PolarHBondContact O-N 3.38Å; R162-P164 WeakPolarHBondContact O-CD 3.44Å
163V97.7Very high96.4Very high40 Ų4065.6 Ų65.624%0.24234%0.336CS..  trans-73.7118.6-179.3-1720000109.5L156 I167 I168 V197L156-V163 HydrophobicContact CD2-CG1 4.2Å; L156-V163 HydrophobicContact CD2-CG2 3.68Å; V163-I167 HydrophobicContact CG1-CB 3.96Å; V163-I167 HydrophobicContact CG1-CG2 4.01Å; V163-I168 HydrophobicContact CG1-CD1 4.46Å; V163-I168 HydrophobicContact CG1-CG1 3.87Å; V163-V197 HydrophobicContact CB-CG1 4.5Å; V163-V197 HydrophobicContact CG1-CB 4.35Å; V163-V197 HydrophobicContact CG1-CG1 3.89Å; V163-V197 HydrophobicContact CG2-CG1 3.99Å
164P98.2Very high96.4Very high18 Ų1862.7 Ų62.712%0.11732%0.32CS..  trans-63.7143.4173.5-22.134.9000111.5L102 A106 R162 S166 I167L102-P164 HydrophobicContact CB-CG 4.36Å; A106-P164 HydrophobicContact CB-CB 3.73Å; A106-P164 HydrophobicContact CB-CG 3.97Å; R162-P164 WeakPolarHBondContact O-CD 3.44Å; P164-S166 PolarHBondContact O-N 3.1Å; P164-I167 HydrophobicContact CB-CG1 4.37Å; P164-I167 HydrophobicContact CG-CD1 4.2Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 WeakPolarHBondContact O-CB 3.32Å; P164-I167 PolarHBondContact O-N 2.9Å
165P98.2Very high96.4Very high104 Ų10461.7 Ų61.768%0.67531%0.313SS*.Hα-helixtrans-54.8-35.7178.3-2735.1000113.7I167 I168 Q169P165-I167 VanDerWaalsContact C-N 3.26Å; P165-I167 PolarHBondContact O-N 3.41Å; P165-I168 WeakPolarHBondContact O-CB 3.32Å; P165-I168 PolarHBondContact O-N 3.4Å; P165-I168 VanDerWaalsContact O-N 3.1Å; P165-Q169 PolarHBondContact O-N 3.33Å
166S98.4Very high96.1Very high25 Ų2564 Ų6418%0.17534%0.336CS..Hα-helixtrans-58.7-34.3176.2-49.70000112.6D110 P164 M170D110-S166 VanDerWaalsContact OD1-CB 3.23Å; D110-S166 WeakPolarHBondContact OD1-CB 3.43Å; D110-S166 PolarHBondContact OD1-OG 3.34Å; D110-S166 VanDerWaalsContact OD1-OG 3.08Å; D110-S166 PolarHBondContact OD2-OG 2.94Å; P164-S166 PolarHBondContact O-N 3.1Å; S166-M170 WeakPolarHBondContact O-CB 3.46Å; S166-M170 PolarHBondContact O-N 2.94Å
167I98.5Very high95.9Very high0 Ų063.4 Ų63.40%033%0.333CS..Hα-helixtrans-68.8-41.4175.2-61.9-169.8000111L102 L105 A106 V163 P164 P165 Q169 M170 L171L102-I167 HydrophobicContact CB-CD1 3.75Å; L102-I167 HydrophobicContact CD2-CD1 3.65Å; L102-I167 HydrophobicContact CG-CD1 4.27Å; L102-I167 WeakPolarHBondContact O-CD1 3.39Å; L105-I167 HydrophobicContact CD2-CD1 4.27Å; A106-I167 HydrophobicContact CB-CG1 4.16Å; V163-I167 HydrophobicContact CG1-CB 3.96Å; V163-I167 HydrophobicContact CG1-CG2 4.01Å; P164-I167 HydrophobicContact CB-CG1 4.37Å; P164-I167 HydrophobicContact CG-CD1 4.2Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 WeakPolarHBondContact O-CB 3.32Å; P164-I167 PolarHBondContact O-N 2.9Å; P165-I167 VanDerWaalsContact C-N 3.26Å; P165-I167 PolarHBondContact O-N 3.41Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; I167-M170 HydrophobicContact CG2-CE 3.99Å; I167-M170 WeakPolarHBondContact O-CB 3.46Å; I167-M170 PolarHBondContact O-N 2.88Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.29Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 WeakPolarHBondContact O-CG 3.44Å; I167-L171 PolarHBondContact O-N 3.48Å
168I98Very high95.6Very high54 Ų5464.3 Ų64.328%0.27733%0.329SS..Hα-helixtrans-62.7-47.7178.1-55.2176.9000109.1V163 P165 M170 L171 L172 V197 V198V163-I168 HydrophobicContact CG1-CD1 4.46Å; V163-I168 HydrophobicContact CG1-CG1 3.87Å; P165-I168 WeakPolarHBondContact O-CB 3.32Å; P165-I168 PolarHBondContact O-N 3.4Å; P165-I168 VanDerWaalsContact O-N 3.1Å; I168-M170 PolarHBondContact O-N 3.22Å; I168-L171 PolarHBondContact O-N 3.24Å; I168-L172 HydrophobicContact CG2-CD1 4.05Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 WeakPolarHBondContact O-CG 3.23Å; I168-L172 PolarHBondContact O-N 2.9Å; I168-V197 HydrophobicContact CG1-CB 4.34Å; I168-V197 HydrophobicContact CG1-CG2 4.48Å; I168-V198 HydrophobicContact CG2-CG2 3.99Å
169Q98.1Very high95.1Very high85 Ų8561.4 Ų61.440%0.39732%0.321SS..Hα-helixtrans-58.4-47.5175.9-168.9-149.32600111.5P165 I167 L172 I173P165-Q169 PolarHBondContact O-N 3.33Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-L172 PolarHBondContact O-N 3.49Å; Q169-I173 HydrophobicContact CG-CD1 3.75Å; Q169-I173 WeakPolarHBondContact O-CB 3.44Å; Q169-I173 VanDerWaalsContact O-CG1 3.28Å; Q169-I173 WeakPolarHBondContact O-CG1 3.33Å; Q169-I173 PolarHBondContact O-N 3.28Å
170M98.6Very high94.7Very high0 Ų061.4 Ų61.40%032%0.321CS..Hα-helixtrans-53.5-56.1175.8174.8-173.17500111.5L105 W109 F142 T147 L152 S166 I167 I168 L172 I173 L174L105-M170 HydrophobicContact CD1-SD 4.31Å; L105-M170 HydrophobicContact CD2-CE 3.91Å; L105-M170 HydrophobicContact CG-CE 4.31Å; L105-M170 HydrophobicContact CG-SD 4.36Å; W109-M170 HydrophobicContact CB-SD 4.01Å; W109-M170 HydrophobicContact CD2-CB 3.48Å; W109-M170 VanDerWaalsContact CD2-CB 3.48Å; W109-M170 HydrophobicContact CD2-CG 3.47Å; W109-M170 VanDerWaalsContact CD2-CG 3.47Å; W109-M170 HydrophobicContact CD2-SD 4.07Å; W109-M170 HydrophobicContact CE3-CB 4.03Å; W109-M170 HydrophobicContact CE3-CG 3.47Å; W109-M170 VanDerWaalsContact CE3-CG 3.47Å; W109-M170 HydrophobicContact CE3-SD 4.01Å; W109-M170 HydrophobicContact CG-CB 3.68Å; W109-M170 HydrophobicContact CG-CG 3.94Å; W109-M170 HydrophobicContact CG-SD 4.08Å; W109-M170 HydrophobicContact CH2-CB 4.47Å; W109-M170 HydrophobicContact CH2-CG 4.22Å; W109-M170 HydrophobicContact CZ2-CB 4.04Å; W109-M170 HydrophobicContact CZ2-CG 4.28Å; W109-M170 HydrophobicContact CZ3-CB 4.48Å; W109-M170 HydrophobicContact CZ3-CG 3.85Å; F142-M170 HydrophobicContact CD1-SD 4.48Å; F142-M170 HydrophobicContact CE1-CG 4.28Å; F142-M170 HydrophobicContact CE1-SD 3.53Å; F142-M170 VanDerWaalsContact CE1-SD 3.53Å; F142-M170 HydrophobicContact CZ-SD 4.13Å; T147-M170 HydrophobicContact CG2-CE 4.3Å; L152-M170 HydrophobicContact CD2-CE 4.36Å; S166-M170 WeakPolarHBondContact O-CB 3.46Å; S166-M170 PolarHBondContact O-N 2.94Å; I167-M170 HydrophobicContact CG2-CE 3.99Å; I167-M170 WeakPolarHBondContact O-CB 3.46Å; I167-M170 PolarHBondContact O-N 2.88Å; I168-M170 PolarHBondContact O-N 3.22Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-L172 PolarHBondContact O-N 3.03Å; M170-I173 PolarHBondContact O-N 3.46Å; M170-I173 VanDerWaalsContact O-N 3.13Å; M170-L174 HydrophobicContact CG-CD1 3.85Å; M170-L174 HydrophobicContact CG-CG 4.32Å; M170-L174 VanDerWaalsContact O-CG 3.28Å; M170-L174 WeakPolarHBondContact O-CG 3.37Å; M170-L174 PolarHBondContact O-N 3Å
171L98.2Very high94.2Very high0 Ų059.3 Ų59.30%032%0.318CS..Hα-helixtrans-61.9-40.1-175.8-72.2173.2000111.7T147 L152 I167 I168 L174 Q175 L190 L193 I194 V197T147-L171 HydrophobicContact CG2-CD2 3.85Å; L152-L171 HydrophobicContact CD2-CD2 4.42Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.29Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 WeakPolarHBondContact O-CG 3.44Å; I167-L171 PolarHBondContact O-N 3.48Å; I168-L171 PolarHBondContact O-N 3.24Å; L171-L174 PolarHBondContact O-N 3.5Å; L171-Q175 WeakPolarHBondContact O-CB 3.4Å; L171-Q175 PolarHBondContact O-N 3.01Å; L171-L190 HydrophobicContact CD2-CD1 3.63Å; L171-L193 HydrophobicContact CD1-CB 4.48Å; L171-L193 HydrophobicContact CD2-CB 4.17Å; L171-I194 HydrophobicContact CB-CG1 3.87Å; L171-V197 HydrophobicContact CD1-CG1 4.44Å; L171-V197 HydrophobicContact CD1-CG2 3.68Å
172L97.2Very high93.5Very high72 Ų7259.9 Ų59.938%0.37733%0.327SS..Hα-helixtrans-66.9-36.5174.8-70.8176.1000113I168 Q169 M170 Q175 I194 V198I168-L172 HydrophobicContact CG2-CD1 4.05Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 WeakPolarHBondContact O-CG 3.23Å; I168-L172 PolarHBondContact O-N 2.9Å; Q169-L172 PolarHBondContact O-N 3.49Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-L172 PolarHBondContact O-N 3.03Å; L172-Q175 WeakPolarHBondContact O-CB 3.44Å; L172-I194 HydrophobicContact CD2-CG2 4.31Å; L172-V198 HydrophobicContact CD1-CG2 4.45Å; L172-V198 HydrophobicContact CD2-CG2 4.15Å; L172-V198 HydrophobicContact CG-CG2 4.4Å
173I97.8Very high93Very high41 Ų4154.2 Ų54.221%0.2131%0.314CS..Hα-helixtrans-68.3-45.5175.1-73.3165.9000110.4W109 F113 L139 Q169 M170 Q175 G176 V177W109-I173 HydrophobicContact CH2-CB 4.38Å; W109-I173 HydrophobicContact CH2-CG2 4.05Å; W109-I173 HydrophobicContact CZ2-CB 4.3Å; W109-I173 HydrophobicContact CZ2-CD1 3.81Å; W109-I173 HydrophobicContact CZ2-CG2 4.32Å; F113-I173 HydrophobicContact CE1-CD1 4.32Å; F113-I173 HydrophobicContact CE2-CD1 3.83Å; F113-I173 HydrophobicContact CE2-CG2 4.09Å; F113-I173 HydrophobicContact CZ-CD1 3.69Å; L139-I173 HydrophobicContact CD1-CG2 4.27Å; L139-I173 HydrophobicContact CD2-CG2 4.12Å; Q169-I173 HydrophobicContact CG-CD1 3.75Å; Q169-I173 WeakPolarHBondContact O-CB 3.44Å; Q169-I173 VanDerWaalsContact O-CG1 3.28Å; Q169-I173 WeakPolarHBondContact O-CG1 3.33Å; Q169-I173 PolarHBondContact O-N 3.28Å; M170-I173 PolarHBondContact O-N 3.46Å; M170-I173 VanDerWaalsContact O-N 3.13Å; I173-Q175 PolarHBondContact O-N 3.35Å; I173-G176 PolarHBondContact O-N 2.94Å; I173-V177 WeakPolarHBondContact O-CG2 3.32Å
174L97.3Very high92.7Very high0 Ų053.9 Ų53.90%031%0.312CS..Hα-helixtrans-65.5-26.8179.5-65.5179.9000112.3W109 L139 F142 R143 T147 M170 L171 G176 V177 L190W109-L174 HydrophobicContact CZ3-CD2 4.4Å; L139-L174 HydrophobicContact CB-CD2 4.12Å; L139-L174 HydrophobicContact CD2-CD2 4.06Å; L139-L174 WeakPolarHBondContact O-CD2 3.49Å; F142-L174 HydrophobicContact CD1-CD1 4.15Å; R143-L174 HydrophobicContact CB-CD1 4.13Å; R143-L174 HydrophobicContact CB-CD2 4.18Å; R143-L174 HydrophobicContact CG-CD1 4.4Å; T147-L174 HydrophobicContact CG2-CD1 4.25Å; T147-L174 WeakPolarHBondContact OG1-CD1 3.27Å; M170-L174 HydrophobicContact CG-CD1 3.85Å; M170-L174 HydrophobicContact CG-CG 4.32Å; M170-L174 VanDerWaalsContact O-CG 3.28Å; M170-L174 WeakPolarHBondContact O-CG 3.37Å; M170-L174 PolarHBondContact O-N 3Å; L171-L174 PolarHBondContact O-N 3.5Å; L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.34Å; L174-V177 WeakPolarHBondContact O-CB 3.44Å; L174-V177 PolarHBondContact O-N 2.95Å; L174-V177 VanDerWaalsContact O-N 3.12Å; L174-L190 HydrophobicContact CB-CD1 4.31Å; L174-L190 HydrophobicContact CB-CD2 3.9Å; L174-L190 WeakPolarHBondContact O-CD2 3.38Å
175Q94.9Very high92.3Very high65 Ų6559.5 Ų59.530%0.30434%0.337SS..Hα-helixtrans-60.1-37174.8-173.8-116.3-34.200112.5L171 L172 I173 V177 H178 Y187 I194L171-Q175 WeakPolarHBondContact O-CB 3.4Å; L171-Q175 PolarHBondContact O-N 3.01Å; L172-Q175 WeakPolarHBondContact O-CB 3.44Å; I173-Q175 PolarHBondContact O-N 3.35Å; Q175-V177 PolarHBondContact O-N 2.81Å; Q175-H178 PolarHBondContact O-CE1 3.41Å; Q175-H178 PolarHBondContact O-NE2 3.32Å; Q175-Y187 WeakPolarHBondContact O-CE2 3.41Å; Q175-I194 HydrophobicContact CB-CD1 3.66Å; Q175-I194 HydrophobicContact CG-CD1 3.8Å
176G92.3Very high92Very high48 Ų4857.4 Ų57.450%0.49532%0.321SS..THydrogen-bonded Turntrans-76.3-0.2177.600000114.4I173 L174I173-G176 PolarHBondContact O-N 2.94Å; L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.34Å
177V92.6Very high91.8Very high5 Ų556.8 Ų56.83%0.0331%0.314CS..  trans-107.9100-170.6-179.50000109.5Q136 L139 L140 R143 I173 L174 Q175Q136-V177 HydrophobicContact CG-CG1 4.4Å; Q136-V177 VanDerWaalsContact NE2-CG1 3.32Å; L139-V177 HydrophobicContact CB-CB 4.43Å; L139-V177 HydrophobicContact CB-CG1 3.87Å; L139-V177 HydrophobicContact CB-CG2 3.87Å; L139-V177 HydrophobicContact CD1-CG2 3.79Å; L139-V177 HydrophobicContact CG-CG2 4.44Å; L140-V177 HydrophobicContact CB-CG1 4.4Å; L140-V177 HydrophobicContact CD2-CG1 3.61Å; L140-V177 HydrophobicContact CG-CG1 3.53Å; R143-V177 PolarHBondContact NH1-O 2.99Å; I173-V177 WeakPolarHBondContact O-CG2 3.32Å; L174-V177 WeakPolarHBondContact O-CB 3.44Å; L174-V177 PolarHBondContact O-N 2.95Å; L174-V177 VanDerWaalsContact O-N 3.12Å; Q175-V177 PolarHBondContact O-N 2.81Å
178H88.4Confident91.5Very high89 Ų8959.1 Ų59.141%0.41233%0.326SS..  trans-104.5154.4-178.4-54.5-72.9000113.9Q136 Q175 Y187Q136-H178 VanDerWaalsContact NE2-N 3.14Å; Q136-H178 PolarHBondContact NE2-O 3.36Å; Q175-H178 PolarHBondContact O-CE1 3.41Å; Q175-H178 PolarHBondContact O-NE2 3.32Å; H178-Y187 AromaticContact CE1-CE2 3.28Å; H178-Y187 WeakPolarHBondContact CE1-CE2 3.18Å; H178-Y187 AromaticContact CE1-CZ 3.46Å; H178-Y187 VanDerWaalsContact CE1-CZ 3.46Å; H178-Y187 PolarHBondContact CE1-OH 3.48Å; H178-Y187 AromaticContact ND1-CD2 3.78Å; H178-Y187 AromaticContact ND1-CE2 3.38Å; H178-Y187 WeakPolarHBondContact ND1-CE2 3.39Å; H178-Y187 AromaticContact ND1-CZ 3.89Å
179E85.6Confident91.3Very high50 Ų5060.6 Ų60.623%0.23433%0.331CS..  trans-86.2155.5168.8-65.6156.516400109.6L140 R143 N144 K181 G182 T184L140-E179 HydrophobicContact CD1-CG 4.27Å; L140-E179 HydrophobicContact CD2-CG 3.8Å; R143-E179 IonicContact CZ-OE1 3.49Å; R143-E179 IonicContact NH2-OE1 2.64Å; R143-E179 PolarHBondContact NH2-OE1 2.74Å; R143-E179 IonicContact NH2-OE2 3.95Å; N144-E179 PolarHBondContact ND2-OE1 2.86Å; E179-K181 PolarHBondContact O-N 3.49Å; E179-K181 VanDerWaalsContact O-N 3.1Å; E179-G182 PolarHBondContact O-N 2.95Å; E179-T184 VanDerWaalsContact OE2-CG2 3.23Å; E179-T184 WeakPolarHBondContact OE2-CG2 3.44Å; E179-T184 PolarHBondContact OE2-OG1 3.35Å
180S79.3Confident91.2Very high127 Ų12756.5 Ų56.589%0.88831%0.312SS*.THydrogen-bonded Turntrans-64.6-14.9179.1530000114.2G182S180-G182 VanDerWaalsContact C-N 3.33Å; S180-G182 PolarHBondContact O-N 3.43Å
181K79.1Confident91Very high189 Ų18956.9 Ų56.982%0.82231%0.314SS*.THydrogen-bonded Turntrans-86.24-176.7-62.9-178.9-178.6176.50114.1E179E179-K181 PolarHBondContact O-N 3.49Å; E179-K181 VanDerWaalsContact O-N 3.1Å
182G78.8Confident90.8Very high43 Ų4359.1 Ų59.144%0.44333%0.329SS..  trans85.8-153.6179.900000113.4E179 S180 T184E179-G182 PolarHBondContact O-N 2.95Å; S180-G182 VanDerWaalsContact C-N 3.33Å; S180-G182 PolarHBondContact O-N 3.43Å; G182-T184 PolarHBondContact O-N 3.38Å
183V85.9Confident90.8Very high83 Ų8356.1 Ų56.150%0.50331%0.314SS..SBendtrans-71.4117.2-178.3-1800000109.8Y187 L188 T204V183-Y187 HydrophobicContact CG1-CD1 4.22Å; V183-L188 HydrophobicContact CG1-CD2 3.89Å; V183-L188 HydrophobicContact CG1-CG 4.1Å; V183-T204 HydrophobicContact CG1-CG2 4.27Å; V183-T204 HydrophobicContact CG2-CG2 4.05Å
184T90.4Very high90.7Very high33 Ų3354.2 Ų54.220%0.20230%0.304CS..  trans-107.9161.4179.2550000111.7E179 G182 D186 Y187 L188E179-T184 VanDerWaalsContact OE2-CG2 3.23Å; E179-T184 WeakPolarHBondContact OE2-CG2 3.44Å; E179-T184 PolarHBondContact OE2-OG1 3.35Å; G182-T184 PolarHBondContact O-N 3.38Å; T184-D186 PolarHBondContact O-N 3.43Å; T184-Y187 WeakPolarHBondContact O-CB 3.49Å; T184-Y187 PolarHBondContact O-N 3.49Å; T184-Y187 VanDerWaalsContact O-N 3.11Å; T184-Y187 PolarHBondContact OG1-N 3.2Å; T184-L188 PolarHBondContact O-N 3.47Å; T184-L188 VanDerWaalsContact O-N 3.08Å
185E90.7Very high90.6Very high136 Ų13656.7 Ų56.764%0.63632%0.315SS*.Hα-helixtrans-57.9-39.6175.2-169.2-168.8141.400111.5Y187 L188 K189E185-Y187 VanDerWaalsContact C-N 3.3Å; E185-Y187 PolarHBondContact O-N 3.34Å; E185-L188 WeakPolarHBondContact O-CB 3.43Å; E185-L188 PolarHBondContact O-N 3.38Å; E185-L188 VanDerWaalsContact O-N 3.12Å; E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.96Å; E185-K189 WeakPolarHBondContact OE1-CE 3.29Å; E185-K189 IonicContact OE1-NZ 3.57Å; E185-K189 PolarHBondContact OE1-NZ 3.34Å
186D92.2Very high90.5Very high61 Ų6157.8 Ų57.833%0.32632%0.319SS..Hα-helixtrans-63.6-36.1176.6-70.8-13000112.2L148 T184 K189 L190L148-D186 HydrophobicContact CD1-CB 3.69Å; L148-D186 WeakPolarHBondContact CD1-O 3.08Å; T184-D186 PolarHBondContact O-N 3.43Å; D186-K189 PolarHBondContact O-N 3.31Å; D186-K189 IonicContact OD1-NZ 2.8Å; D186-K189 PolarHBondContact OD1-NZ 2.96Å; D186-L190 PolarHBondContact O-N 3.04Å
187Y93.1Very high90.6Very high11 Ų1156.8 Ų56.84%0.04330%0.303CS..Hα-helixtrans-65.5-41172-178.2-94.5000111.8Q175 H178 V183 T184 E185 K189 L190 E191 T204Q175-Y187 WeakPolarHBondContact O-CE2 3.41Å; H178-Y187 AromaticContact CE1-CE2 3.28Å; H178-Y187 WeakPolarHBondContact CE1-CE2 3.18Å; H178-Y187 AromaticContact CE1-CZ 3.46Å; H178-Y187 VanDerWaalsContact CE1-CZ 3.46Å; H178-Y187 PolarHBondContact CE1-OH 3.48Å; H178-Y187 AromaticContact ND1-CD2 3.78Å; H178-Y187 AromaticContact ND1-CE2 3.38Å; H178-Y187 WeakPolarHBondContact ND1-CE2 3.39Å; H178-Y187 AromaticContact ND1-CZ 3.89Å; V183-Y187 HydrophobicContact CG1-CD1 4.22Å; T184-Y187 WeakPolarHBondContact O-CB 3.49Å; T184-Y187 PolarHBondContact O-N 3.49Å; T184-Y187 VanDerWaalsContact O-N 3.11Å; T184-Y187 PolarHBondContact OG1-N 3.2Å; E185-Y187 VanDerWaalsContact C-N 3.3Å; E185-Y187 PolarHBondContact O-N 3.34Å; Y187-K189 VanDerWaalsContact C-N 3.33Å; Y187-K189 PolarHBondContact O-N 3.05Å; Y187-L190 WeakPolarHBondContact O-CB 3.25Å; Y187-L190 PolarHBondContact O-N 3.33Å; Y187-L190 VanDerWaalsContact O-N 3.11Å; Y187-E191 HydrophobicContact CD1-CG 4.19Å; Y187-E191 HydrophobicContact CE1-CG 3.71Å; Y187-E191 PolarHBondContact O-N 2.97Å; Y187-T204 WeakPolarHBondContact CE1-OG1 3.34Å
188L92.6Very high90.7Very high49 Ų4958.4 Ų58.426%0.25731%0.313SS..Hα-helixtrans-65.5-35.7176-62.8175.8000112.5V183 T184 E185 L190 E191 S192 Y205V183-L188 HydrophobicContact CG1-CD2 3.89Å; V183-L188 HydrophobicContact CG1-CG 4.1Å; T184-L188 PolarHBondContact O-N 3.47Å; T184-L188 VanDerWaalsContact O-N 3.08Å; E185-L188 WeakPolarHBondContact O-CB 3.43Å; E185-L188 PolarHBondContact O-N 3.38Å; E185-L188 VanDerWaalsContact O-N 3.12Å; L188-L190 VanDerWaalsContact C-N 3.3Å; L188-L190 PolarHBondContact O-N 3.31Å; L188-E191 PolarHBondContact O-N 3.43Å; L188-S192 PolarHBondContact O-N 3.16Å; L188-Y205 HydrophobicContact CD1-CE2 3.75Å; L188-Y205 HydrophobicContact CD2-CD2 4.04Å; L188-Y205 HydrophobicContact CD2-CE2 3.51Å; L188-Y205 HydrophobicContact CG-CE2 4.29Å
189K94.5Very high90.7Very high85 Ų8559.7 Ų59.737%0.3733%0.332SS..Hα-helixtrans-62.3-36.7170.8-69.9171.4-173.5154.10111.8L148 E185 D186 Y187 S192 L193L148-K189 HydrophobicContact CD2-CB 3.89Å; E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.96Å; E185-K189 WeakPolarHBondContact OE1-CE 3.29Å; E185-K189 IonicContact OE1-NZ 3.57Å; E185-K189 PolarHBondContact OE1-NZ 3.34Å; D186-K189 PolarHBondContact O-N 3.31Å; D186-K189 IonicContact OD1-NZ 2.8Å; D186-K189 PolarHBondContact OD1-NZ 2.96Å; Y187-K189 VanDerWaalsContact C-N 3.33Å; Y187-K189 PolarHBondContact O-N 3.05Å; K189-S192 PolarHBondContact O-N 3.42Å; K189-S192 PolarHBondContact O-OG 3.43Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.05Å
190L96.1Very high90.9Very high0 Ų062.7 Ų62.70%036%0.356CS..Hα-helixtrans-64-44172.1178.268.1000111R143 T147 L148 L171 L174 D186 Y187 L188 S192 L193 I194R143-L190 HydrophobicContact CG-CD1 4.49Å; R143-L190 HydrophobicContact CG-CD2 4.19Å; T147-L190 HydrophobicContact CG2-CD1 4.26Å; L148-L190 HydrophobicContact CD2-CB 4.33Å; L171-L190 HydrophobicContact CD2-CD1 3.63Å; L174-L190 HydrophobicContact CB-CD1 4.31Å; L174-L190 HydrophobicContact CB-CD2 3.9Å; L174-L190 WeakPolarHBondContact O-CD2 3.38Å; D186-L190 PolarHBondContact O-N 3.04Å; Y187-L190 WeakPolarHBondContact O-CB 3.25Å; Y187-L190 PolarHBondContact O-N 3.33Å; Y187-L190 VanDerWaalsContact O-N 3.11Å; L188-L190 VanDerWaalsContact C-N 3.3Å; L188-L190 PolarHBondContact O-N 3.31Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.42Å; L190-L193 WeakPolarHBondContact O-CB 3.31Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-L193 VanDerWaalsContact O-N 3.12Å; L190-I194 HydrophobicContact CD2-CD1 4.48Å; L190-I194 HydrophobicContact CG-CD1 3.98Å; L190-I194 WeakPolarHBondContact O-CG1 3.26Å; L190-I194 PolarHBondContact O-N 3.14Å
191E94.4Very high91.4Very high8 Ų857.8 Ų57.84%0.03732%0.318CS..Hα-helixtrans-60.7-38.8177.7-64.4-156.4114.400112.8Y187 L188 L193 I194 Q195 Y201 G203 T204Y187-E191 HydrophobicContact CD1-CG 4.19Å; Y187-E191 HydrophobicContact CE1-CG 3.71Å; Y187-E191 PolarHBondContact O-N 2.97Å; L188-E191 PolarHBondContact O-N 3.43Å; E191-L193 VanDerWaalsContact C-N 3.27Å; E191-L193 PolarHBondContact O-N 2.98Å; E191-I194 PolarHBondContact O-N 3.23Å; E191-Q195 VanDerWaalsContact O-CG 3.29Å; E191-Q195 WeakPolarHBondContact O-CG 3.43Å; E191-Q195 PolarHBondContact O-N 3.15Å; E191-Q195 VanDerWaalsContact O-N 3.08Å; E191-Q195 PolarHBondContact O-NE2 3.49Å; E191-Y201 HydrophobicContact CB-CE1 4.16Å; E191-Y201 HydrophobicContact CG-CE1 4.39Å; E191-Y201 PolarHBondContact OE1-OH 2.98Å; E191-G203 WeakPolarHBondContact OE1-CA 3.39Å; E191-T204 PolarHBondContact OE1-N 3.23Å; E191-T204 PolarHBondContact OE1-OG1 3.49Å; E191-T204 WeakPolarHBondContact OE2-CB 3.4Å; E191-T204 PolarHBondContact OE2-N 3.39Å; E191-T204 PolarHBondContact OE2-OG1 3.2Å
192S94.1Very high91.9Very high47 Ų4754.2 Ų54.233%0.32931%0.307SS..Hα-helixtrans-64-32.9175.759.60000112.7L188 K189 L190L188-S192 PolarHBondContact O-N 3.16Å; K189-S192 PolarHBondContact O-N 3.42Å; K189-S192 PolarHBondContact O-OG 3.43Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.42Å
193L96.8Very high92.2Very high9 Ų952.7 Ų52.75%0.04729%0.292CS..Hα-helixtrans-69.6-42.2174.1-65.7169.3000111.7T147 L148 L152 D153 L156 L171 K189 L190 E191 Q195 K196T147-L193 HydrophobicContact CG2-CD1 4.14Å; L148-L193 HydrophobicContact CD2-CD1 4.06Å; L152-L193 HydrophobicContact CB-CD2 4.42Å; L152-L193 HydrophobicContact CD2-CD1 4.07Å; L152-L193 HydrophobicContact CD2-CD2 4.46Å; L152-L193 HydrophobicContact CG-CD2 4.16Å; D153-L193 HydrophobicContact CB-CD2 3.85Å; L156-L193 HydrophobicContact CD1-CB 4.5Å; L156-L193 HydrophobicContact CD1-CD2 4.07Å; L171-L193 HydrophobicContact CD1-CB 4.48Å; L171-L193 HydrophobicContact CD2-CB 4.17Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.05Å; L190-L193 WeakPolarHBondContact O-CB 3.31Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-L193 VanDerWaalsContact O-N 3.12Å; E191-L193 VanDerWaalsContact C-N 3.27Å; E191-L193 PolarHBondContact O-N 2.98Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 2.7Å; L193-K196 PolarHBondContact O-N 3.29Å
194I96.3Very high92.3Very high0 Ų051.7 Ų51.70%029%0.286CS..Hα-helixtrans-61.8-41.7179.6-63.3158.9000111L171 L172 Q175 L190 E191 K196 V197 V198 Y201L171-I194 HydrophobicContact CB-CG1 3.87Å; L172-I194 HydrophobicContact CD2-CG2 4.31Å; Q175-I194 HydrophobicContact CB-CD1 3.66Å; Q175-I194 HydrophobicContact CG-CD1 3.8Å; L190-I194 HydrophobicContact CD2-CD1 4.48Å; L190-I194 HydrophobicContact CG-CD1 3.98Å; L190-I194 WeakPolarHBondContact O-CG1 3.26Å; L190-I194 PolarHBondContact O-N 3.14Å; E191-I194 PolarHBondContact O-N 3.23Å; I194-K196 PolarHBondContact O-N 3Å; I194-K196 VanDerWaalsContact O-N 3.16Å; I194-V197 WeakPolarHBondContact O-CG2 3.43Å; I194-V197 PolarHBondContact O-N 2.98Å; I194-V198 HydrophobicContact CG2-CB 4.19Å; I194-V198 HydrophobicContact CG2-CG2 4.17Å; I194-V198 PolarHBondContact O-N 3.07Å; I194-Y201 HydrophobicContact CB-CD2 4.33Å; I194-Y201 HydrophobicContact CB-CE2 4.09Å; I194-Y201 HydrophobicContact CD1-CE2 4.32Å; I194-Y201 HydrophobicContact CG2-CD2 3.34Å; I194-Y201 HydrophobicContact CG2-CE2 3.33Å; I194-Y201 HydrophobicContact CG2-CG 3.98Å
195Q93.6Very high91.8Very high53 Ų5355.8 Ų55.825%0.24830%0.299CS..Hα-helixtrans-58.4-28.6178.8-72.5169.836.900113.6E191 L193 V197 Y201E191-Q195 VanDerWaalsContact O-CG 3.29Å; E191-Q195 WeakPolarHBondContact O-CG 3.43Å; E191-Q195 PolarHBondContact O-N 3.15Å; E191-Q195 VanDerWaalsContact O-N 3.08Å; E191-Q195 PolarHBondContact O-NE2 3.49Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 2.7Å; Q195-V197 VanDerWaalsContact C-N 3.27Å; Q195-V197 PolarHBondContact O-N 3.24Å; Q195-Y201 HydrophobicContact CG-CD1 3.38Å; Q195-Y201 HydrophobicContact CG-CE1 4.14Å; Q195-Y201 HydrophobicContact CG-CG 4.07Å
196K93.6Very high91.3Very high87 Ų8749.5 Ų49.538%0.37827%0.27SS..THydrogen-bonded Turntrans-73.6-19.7177.6-64.9-174.8-179.5-176.80113D153 L156 S157 L193 I194D153-K196 WeakPolarHBondContact OD1-CE 3.42Å; D153-K196 IonicContact OD1-NZ 2.66Å; D153-K196 PolarHBondContact OD1-NZ 3.46Å; D153-K196 IonicContact OD2-NZ 2.79Å; D153-K196 PolarHBondContact OD2-NZ 3.24Å; L156-K196 HydrophobicContact CB-CB 4.3Å; L156-K196 HydrophobicContact CB-CD 4.04Å; L156-K196 HydrophobicContact CD1-CB 4.44Å; S157-K196 PolarHBondContact OG-NZ 3.4Å; L193-K196 PolarHBondContact O-N 3.29Å; I194-K196 PolarHBondContact O-N 3Å; I194-K196 VanDerWaalsContact O-N 3.16Å
197V94.7Very high90.3Very high27 Ų2751.8 Ų51.816%0.16428%0.282CS..THydrogen-bonded Turntrans-119.9-16.9-172.4-53.10000113.9L156 V163 I168 L171 I194 Q195L156-V197 HydrophobicContact CD1-CG1 3.9Å; L156-V197 HydrophobicContact CD2-CG1 3.63Å; L156-V197 HydrophobicContact CG-CG1 4.33Å; V163-V197 HydrophobicContact CB-CG1 4.5Å; V163-V197 HydrophobicContact CG1-CB 4.35Å; V163-V197 HydrophobicContact CG1-CG1 3.89Å; V163-V197 HydrophobicContact CG2-CG1 3.99Å; I168-V197 HydrophobicContact CG1-CB 4.34Å; I168-V197 HydrophobicContact CG1-CG2 4.48Å; L171-V197 HydrophobicContact CD1-CG1 4.44Å; L171-V197 HydrophobicContact CD1-CG2 3.68Å; I194-V197 WeakPolarHBondContact O-CG2 3.43Å; I194-V197 PolarHBondContact O-N 2.98Å; Q195-V197 VanDerWaalsContact C-N 3.27Å; Q195-V197 PolarHBondContact O-N 3.24Å
198V93.9Very high88.5Confident39 Ų3958.2 Ų58.224%0.23631%0.307CS..SBendtrans-123.8123.7175.9179.80000109.4I168 L172 I194 Y201I168-V198 HydrophobicContact CG2-CG2 3.99Å; L172-V198 HydrophobicContact CD1-CG2 4.45Å; L172-V198 HydrophobicContact CD2-CG2 4.15Å; L172-V198 HydrophobicContact CG-CG2 4.4Å; I194-V198 HydrophobicContact CG2-CB 4.19Å; I194-V198 HydrophobicContact CG2-CG2 4.17Å; I194-V198 PolarHBondContact O-N 3.07Å; V198-Y201 WeakPolarHBondContact O-CB 3.14Å
199S89Confident86.7Confident116 Ų11660 Ų6081%0.81132%0.324SS*.SBendtrans-136.6130176.2-177.50000111.2
200P90.1Very high84.6Confident113 Ų11361.8 Ų61.873%0.73435%0.347SS*.SBendcis-74.4141.8-5.731.3-34.1000111.9
201Y89.6Confident82.3Confident24 Ų2468.6 Ų68.69%0.09438%0.383CS..  trans-111.9130.4170.5179-97.3000110.6E191 I194 Q195 V198E191-Y201 HydrophobicContact CB-CE1 4.16Å; E191-Y201 HydrophobicContact CG-CE1 4.39Å; E191-Y201 PolarHBondContact OE1-OH 2.98Å; I194-Y201 HydrophobicContact CB-CD2 4.33Å; I194-Y201 HydrophobicContact CB-CE2 4.09Å; I194-Y201 HydrophobicContact CD1-CE2 4.32Å; I194-Y201 HydrophobicContact CG2-CD2 3.34Å; I194-Y201 HydrophobicContact CG2-CE2 3.33Å; I194-Y201 HydrophobicContact CG2-CG 3.98Å; Q195-Y201 HydrophobicContact CG-CD1 3.38Å; Q195-Y201 HydrophobicContact CG-CE1 4.14Å; Q195-Y201 HydrophobicContact CG-CG 4.07Å; V198-Y201 WeakPolarHBondContact O-CB 3.14Å
202L89Confident80Confident114 Ų11471 Ų7160%0.59741%0.411SS*.  trans-105.296.9177.2-174.172.4000108.9L207L202-L207 HydrophobicContact CD1-CD2 3.96Å; L202-L207 HydrophobicContact CD1-CG 3.97Å
203G86.6Confident77.8Confident12 Ų1274.6 Ų74.612%0.12443%0.432CS..BIsolated β-bridgetrans-84.4-173.718000000113.6E191 Y205 G206E191-G203 WeakPolarHBondContact OE1-CA 3.39Å; G203-Y205 PolarHBondContact O-N 3.4Å; G203-G206 PolarHBondContact N-O 2.93Å; G203-G206 PolarHBondContact O-N 3.43Å
204T86.6Confident75.6Confident61 Ų6183.4 Ų83.437%0.37447%0.471SS..THydrogen-bonded Turntrans-52.7-40179-51.40000112.8V183 Y187 E191V183-T204 HydrophobicContact CG1-CG2 4.27Å; V183-T204 HydrophobicContact CG2-CG2 4.05Å; Y187-T204 WeakPolarHBondContact CE1-OG1 3.34Å; E191-T204 PolarHBondContact OE1-N 3.23Å; E191-T204 PolarHBondContact OE1-OG1 3.49Å; E191-T204 WeakPolarHBondContact OE2-CB 3.4Å; E191-T204 PolarHBondContact OE2-N 3.39Å; E191-T204 PolarHBondContact OE2-OG1 3.2Å
205Y81.1Confident73Confident120 Ų12089.4 Ų89.447%0.47151%0.507SS..THydrogen-bonded Turntrans-95.118.5177.4-59.4-66.6000112.8L188 G203 S217L188-Y205 HydrophobicContact CD1-CE2 3.75Å; L188-Y205 HydrophobicContact CD2-CD2 4.04Å; L188-Y205 HydrophobicContact CD2-CE2 3.51Å; L188-Y205 HydrophobicContact CG-CE2 4.29Å; G203-Y205 PolarHBondContact O-N 3.4Å; Y205-S217 CarbonylContact O-C 3.4Å; Y205-S217 WeakPolarHBondContact O-CB 3.22Å
206G79.7Confident70.6Confident3 Ų394.9 Ų94.93%0.03153%0.533CS..BIsolated β-bridgetrans80.4-152.9-178.600000114G203 Y208G203-G206 PolarHBondContact N-O 2.93Å; G203-G206 PolarHBondContact O-N 3.43Å; G206-Y208 PolarHBondContact O-N 2.89Å
207L70.1Confident68.3Low110 Ų11092 Ų9258%0.57652%0.524SS*.  trans-76.9113.2-175.9-65.3177.4000110.4L202 S209 S217L202-L207 HydrophobicContact CD1-CD2 3.96Å; L202-L207 HydrophobicContact CD1-CG 3.97Å; L207-S209 PolarHBondContact O-N 3.3Å; L207-S217 WeakPolarHBondContact O-CB 3.26Å; L207-S217 PolarHBondContact O-OG 2.99Å
208Y56.5Low65.8Low145 Ų14595.4 Ų95.457%0.56955%0.548SS*.  trans-71120170.3-110.7-101.2000109.6G206 S217G206-Y208 PolarHBondContact O-N 2.89Å; Y208-S217 WeakPolarHBondContact CA-OG 3.44Å
209S53.9Low63.3Low88 Ų8896.5 Ų96.562%0.61556%0.557SS**  trans-86.7126.5167.9-170.50000107.8L207 D211L207-S209 PolarHBondContact O-N 3.3Å; S209-D211 PolarHBondContact O-N 3.41Å; S209-D211 VanDerWaalsContact O-N 3.12Å
210S50.6Low61.3Low122 Ų12298.8 Ų98.885%0.85356%0.559SS**SBendtrans-67.8-5.8-177.9-173.40000113.9
211D47.6Very low59.2Low143 Ų14399.8 Ų99.877%0.76556%0.557SS**SBendtrans-104.196.6-174.4-74.2-22.5000112.4S209S209-D211 PolarHBondContact O-N 3.41Å; S209-D211 VanDerWaalsContact O-N 3.12Å
212G47.6Very low57Low59 Ų59107 Ų10761%0.60859%0.592SS**SBendtrans105.3156.2154.800000117.7F214G212-F214 PolarHBondContact O-N 3.34Å
213P47.8Very low54.8Low121 Ų121111.5 Ų111.579%0.78661%0.606SS**SBendtrans-72.3120.8-170.228.9-31.7000111.2
214F48.9Very low52.7Low194 Ų194121.1 Ų121.185%0.85164%0.639SS**  trans47.978.5165.4-54.2-79.7000115.7G212G212-F214 PolarHBondContact O-N 3.34Å
215T43.1Very low50.5Low126 Ų126128.4 Ų128.477%0.77366%0.661SS**  trans-121.4115.4144.837.40000107.8S217T215-S217 PolarHBondContact O-N 2.85Å
216H43.7Very low48.6Very low169 Ų169132.6 Ų132.678%0.78268%0.682SS**  trans-41.1110.5174.8-66.9-87.8000109.8S218H216-S218 VanDerWaalsContact C-N 3.28Å; H216-S218 PolarHBondContact O-N 3.4Å; H216-S218 PolarHBondContact O-OG 2.88Å
217S45.3Very low46.5Very low27 Ų27144 Ų14419%0.18972%0.724CS.*  trans-49.599.8164-68.10000107.4Y205 L207 Y208 T215 C219Y205-S217 CarbonylContact O-C 3.4Å; Y205-S217 WeakPolarHBondContact O-CB 3.22Å; L207-S217 WeakPolarHBondContact O-CB 3.26Å; L207-S217 PolarHBondContact O-OG 2.99Å; Y208-S217 WeakPolarHBondContact CA-OG 3.44Å; T215-S217 PolarHBondContact O-N 2.85Å; S217-C219 PolarHBondContact O-N 3.29Å
218S42Very low44.8Very low97 Ų97149 Ų14968%0.67874%0.736SS**  trans-88.6102.3-178.3-55.30000104.6H216 I220H216-S218 VanDerWaalsContact C-N 3.28Å; H216-S218 PolarHBondContact O-N 3.4Å; H216-S218 PolarHBondContact O-OG 2.88Å; S218-I220 PolarHBondContact O-N 2.91Å
219C41.6Very low43.9Very low63 Ų63147.9 Ų147.943%0.42675%0.749SS.*  trans-55.8119.2164.565.70000107.2S217 L221S217-C219 PolarHBondContact O-N 3.29Å; C219-L221 PolarHBondContact O-N 3.41Å
220I46.3Very low43.2Very low164 Ų164152.2 Ų152.284%0.84176%0.757SS**THydrogen-bonded Turntrans-74.154.2175.3-58.7171.2000108.5S218S218-I220 PolarHBondContact O-N 2.91Å
221L46.1Very low42.7Very low133 Ų133152.7 Ų152.770%0.69676%0.76SS**THydrogen-bonded Turntrans-118.9-14.8172.8-90.2158000111.9C219 K223C219-L221 PolarHBondContact O-N 3.41Å; L221-K223 PolarHBondContact O-N 3.31Å
222E42.7Very low42.2Very low177 Ų177149.2 Ų149.283%0.82776%0.757SS**THydrogen-bonded Turntrans-83.4-9.8-174.3-147.3179.8178.700115.3
223K43.7Very low41.9Very low207 Ų207154.2 Ų154.290%0.977%0.771SS**THydrogen-bonded Turntrans-108.840.9-178.6-74.1-167.7178.9176.40115.5L221L221-K223 PolarHBondContact O-N 3.31Å
224R42.6Very low41.6Very low215 Ų215156.1 Ų156.181%0.81177%0.772SS**SBendtrans-125.20.3165.4-88.1-168.4-90.8161.1-5.7116.9
225Y39.8Very low41.8Very low214 Ų214153.9 Ų153.984%0.83977%0.768SS**SBendtrans-109.513.5178.4-76.7-77.7000116.3
226F40.7Very low41.6Very low207 Ų207151.8 Ų151.891%0.90876%0.764SS**  trans-130.364.3166.2-89.9-83.9000111.9
227R35.5Very low41.9Very low242 Ų242152.6 Ų152.691%0.91377%0.765SS**  trans-103.192.9144.5-85.3-154-154.6-153.47.5108.2S229R227-S229 PolarHBondContact O-N 2.96Å; R227-S229 VanDerWaalsContact O-N 3.14Å
228R34.8Very low41.4Very low216 Ų216157.9 Ų157.982%0.81579%0.792SS**  trans-56.1112.5158.5-168.7176.1-152.7166.96.7107.3K230R228-K230 PolarHBondContact O-N 2.92Å
229S37.8Very low41.8Very low121 Ų121159 Ų15985%0.84680%0.796SS**  trans-54.6110.9162.4-77.50000108.5R227R227-S229 PolarHBondContact O-N 2.96Å; R227-S229 VanDerWaalsContact O-N 3.14Å
230K38.4Very low41.7Very low180 Ų180160.9 Ų160.978%0.78381%0.806SS**  trans-113.2115.4151.7-80.6-162.9172.6-172.30106.8R228R228-K230 PolarHBondContact O-N 2.92Å
231S40.4Very low42.1Very low132 Ų132160 Ų16092%0.92381%0.808SS**  trans-51.7138165-179.30000110.3
232G37Very low42.4Very low69 Ų69163.8 Ų163.871%0.71181%0.813SS**  trans162.683.7177.200000110.8I234G232-I234 PolarHBondContact O-N 3.15Å
233D42.2Very low42.7Very low165 Ų165160.4 Ų160.488%0.88281%0.809SS**  trans-40.5125.7167-88.3-44.5000112.6
234I41.2Very low43.1Very low161 Ų161160.6 Ų160.683%0.82681%0.81SS**  trans-149.8123132-56.1-171000109.1G232 A236G232-I234 PolarHBondContact O-N 3.15Å; I234-A236 PolarHBondContact O-N 3.34Å
235L52.8Low43.7Very low146 Ų146154.1 Ų154.176%0.76480%0.797SS**  trans-39.2112.5168-179.871.3000114
236A39.3Very low43.9Very low83 Ų83154.2 Ų154.269%0.68680%0.798SS**  trans-137.9105.9162.200000109.9I234 N238I234-A236 PolarHBondContact O-N 3.34Å; A236-N238 PolarHBondContact O-N 2.98Å
237K48.8Very low44.2Very low185 Ų185152 Ų15280%0.80480%0.795SS**  trans-69.6111.1175.2-63.6176.9179.71780108.7
238N36.2Very low44.5Very low139 Ų139147.2 Ų147.274%0.74379%0.788SS**  trans-86.5129.5165.7-85.1-67.5000109.5A236 V240A236-N238 PolarHBondContact O-N 2.98Å; N238-V240 PolarHBondContact O-N 3.4Å; N238-V240 VanDerWaalsContact O-N 3.1Å
239P50.3Low45.4Very low120 Ų120142.7 Ų142.778%0.77979%0.786SS**  trans-83.488.1176.433.6-29.1000108.7V241P239-V241 PolarHBondContact O-N 3.33Å
240V39.6Very low46.1Very low103 Ų103143.7 Ų143.762%0.62478%0.782SS**  trans-88.497.5164.8177.40000107.4N238 R242N238-V240 PolarHBondContact O-N 3.4Å; N238-V240 VanDerWaalsContact O-N 3.1Å; V240-R242 VanDerWaalsContact C-N 3.3Å; V240-R242 HydrophobicContact CG1-CB 4.26Å; V240-R242 HydrophobicContact CG1-CG 4.29Å; V240-R242 PolarHBondContact O-N 2.93Å
241V54Low46.7Very low145 Ų145143.3 Ų143.388%0.87979%0.787SS**  trans-69.593.8163178.10000106.7P239P239-V241 PolarHBondContact O-N 3.33Å
242R52.2Low46.9Very low212 Ų212143.2 Ų143.280%0.878%0.781SS**  trans-90.1123.9172.5-131.9177.9177.387.4-1108.1V240V240-R242 VanDerWaalsContact C-N 3.3Å; V240-R242 HydrophobicContact CG1-CB 4.26Å; V240-R242 HydrophobicContact CG1-CG 4.29Å; V240-R242 PolarHBondContact O-N 2.93Å
243S49.3Very low47.4Very low107 Ų107145.6 Ų145.675%0.74878%0.784SS**  trans-55.5133.9176.235.30000111.6S245S243-S245 PolarHBondContact O-N 3.39Å; S243-S245 VanDerWaalsContact O-N 3.13Å
244K51.5Low47.5Very low211 Ų211144 Ų14492%0.91778%0.78SS**SBendtrans-74.986.3175-68.8-178.9176-179.60110.3
245S55Low48Very low79 Ų79140.1 Ų140.155%0.55277%0.772SS**SBendtrans-1460.2165.780.50000118.3S243S243-S245 PolarHBondContact O-N 3.39Å; S243-S245 VanDerWaalsContact O-N 3.13Å
246Y45.2Very low47.6Very low216 Ų216141.9 Ų141.985%0.84778%0.776SS**  trans-144.374.2171.8-66.9-78.7000111.4
247N46.1Very low47.7Very low159 Ų159148.2 Ų148.285%0.8578%0.784SS**  trans-11095.9157.9-84.9-44.9000107.1
248N43.1Very low47.1Very low142 Ų142148.2 Ų148.276%0.75979%0.787SS**  trans-133.197.2163.3-117.7-33.7000107L250N248-L250 PolarHBondContact O-N 2.9Å
249P52.7Low47.2Very low121 Ų121148.1 Ų148.179%0.78679%0.791SS**  trans-86.992.5170.233.2-24.4000107.1
250L53.4Low46.7Very low143 Ų143151.3 Ų151.375%0.74980%0.796SS**  trans-128.898.3167.3-77.5166.6000106.3N248N248-L250 PolarHBondContact O-N 2.9Å
251L50.4Low46.5Very low172 Ų172150.1 Ų150.190%0.90180%0.804SS**  trans178.8114.4133.2-86.5177.4000107.3
252T45.5Very low45.6Very low130 Ų130151.1 Ų151.180%0.79880%0.803SS**PPolyproline II helixtrans-71137.3174-35.60000109.1V254T252-V254 PolarHBondContact O-N 2.88Å
253P46Very low44.8Very low118 Ų118145.4 Ų145.477%0.76680%0.801SS**PPolyproline II helixtrans-61132.8176.1-2031.4000111A255P253-A255 PolarHBondContact O-N 3.34Å
254V44.6Very low44.2Very low132 Ų132144.5 Ų144.580%0.880%0.8SS**PPolyproline II helixtrans-65.6123172.91730000108.4T252T252-V254 PolarHBondContact O-N 2.88Å
255A52.8Low43.4Very low79 Ų79142.5 Ų142.565%0.65380%0.8SS**PPolyproline II helixtrans-78.7116.2171.700000109P253 Y257P253-A255 PolarHBondContact O-N 3.34Å; A255-Y257 PolarHBondContact O-N 3.03Å
256E44.3Very low42.4Very low183 Ų183142.4 Ų142.486%0.85581%0.811SS**  trans-76.7115.7168.6-66179176.600108.2
257Y41.4Very low42Very low217 Ų217139.2 Ų139.285%0.85181%0.814SS**  trans-86.2111.9170.5-103.2-95.7000108.5A255A255-Y257 PolarHBondContact O-N 3.03Å
258E36.1Very low41.5Very low185 Ų185134.5 Ų134.586%0.86480%0.803SS**  trans-72125.9165.3-73.1-170.8137.600109.3
259T37.8Very low41.5Very low137 Ų137135.6 Ų135.684%0.8481%0.807SS**  trans-93.4113.8168.8-55.80000108.3G261T259-G261 PolarHBondContact O-N 2.95Å
260E39.4Very low41Very low186 Ų186140.5 Ų140.587%0.86981%0.81SS**  trans-60.5124.4172.2-70.6-177.8148.900111
261G36.5Very low40.9Very low78 Ų78145.7 Ų145.780%0.80482%0.82SS**  trans-133.498.8170.100000109.6T259T259-G261 PolarHBondContact O-N 2.95Å
262I35.2Very low40.8Very low167 Ų167144.9 Ų144.986%0.85681%0.811SS**  trans-62.3125.4179.6-67.5152000111.3
263A35Very low41Very low92 Ų92144.6 Ų144.676%0.7682%0.815SS**  trans-172.3110.6137.400000113.2
264A35.8Very low40.8Very low87 Ų87143.8 Ų143.872%0.71981%0.807SS**  trans22.1124.9145.400000122.4
265N34.6Very low40.5Very low170 Ų170143.1 Ų143.191%0.90981%0.808SS**  trans70.9102138-62.2-1000119.1
266G35.3Very low39.9Very low77 Ų77147.6 Ų147.679%0.79482%0.816SS**  trans-173.1100.3161.700000112.6
267T35.2Very low39.5Very low148 Ų148148 Ų14891%0.90882%0.82SS**  trans-50133.1172.720.50000114.8
268G36.5Very low39.3Very low61 Ų61143.7 Ų143.763%0.62982%0.816SS**  78.8112.8126.900000119.9
269I42.3Very low39.2Very low164 Ų164140 Ų14084%0.84181%0.811SS**  trans66.1115.7138.3-51.2150.5000116.8
270R43.6Very low38.8Very low225 Ų225139.9 Ų139.985%0.84981%0.814SS**  161.6126102.4-146.5164.4-175.3164-1.2110H272R270-H272 PolarHBondContact O-N 2.88Å; R270-H272 PolarHBondContact O-ND1 3.39Å
271R51.1Low38.7Very low251 Ų251138.1 Ų138.195%0.94781%0.81SS**  trans-54122.9173.1-64.6172.4167.5174.8-5.8111
272H48.1Very low38.4Very low156 Ų156141.7 Ų141.772%0.72281%0.806SS**  trans-128.6113.3153.250.2-75.8000106.8R270 V274R270-H272 PolarHBondContact O-N 2.88Å; R270-H272 PolarHBondContact O-ND1 3.39Å; H272-V274 HydrophobicContact CB-CG2 4.34Å
273S50.2Low38.3Very low124 Ų124142.4 Ų142.487%0.86781%0.81SS**  trans-80.4110.3166.1-167.20000105.7
274V40.7Very low38.2Very low100 Ų100144.9 Ų144.961%0.60681%0.806SS**  trans-124.9107.2170.7-172.80000105.7H272 E276H272-V274 HydrophobicContact CB-CG2 4.34Å; V274-E276 HydrophobicContact CG1-CG 3.99Å
275S39.4Very low38Very low118 Ų118144.3 Ų144.383%0.82581%0.808SS**  trans-94.891.7161.4-660000106.7
276E40.2Very low37.8Very low173 Ų173146.3 Ų146.381%0.80881%0.805SS**  trans-59.3128.3154.5-71.7173.7157.200107.7V274V274-E276 HydrophobicContact CG1-CG 3.99Å
277M35.4Very low37.6Very low192 Ų192148.6 Ų148.695%0.94681%0.808SS**  trans-109.8112.9168.9-159.8155.8147.400107.2
278T36.8Very low37.4Very low127 Ų127149.2 Ų149.278%0.77981%0.806SS**  trans-63.5136.9-176.733.60000112
279S33.6Very low37.4Very low108 Ų108154.7 Ų154.776%0.75582%0.82SS**  trans-63.3134.3168.142.10000111
280C29.9Very low37Very low133 Ų133152.8 Ų152.890%0.89982%0.816SS**  trans-86.7114.6167.6-71.90000109
281L37Very low36.5Very low150 Ų150148.4 Ų148.479%0.78582%0.815SS**  trans-83.6136.4169.5-91.7160.9000111.1
282E30.7Very low35.7Very low152 Ų152144.5 Ų144.571%0.7181%0.811SS**  trans3.2128.8152.1-76167.9140.200119.7
283L33.4Very low35.4Very low183 Ų183144.5 Ų144.596%0.95881%0.813SS**  trans-112.298.4153.2-149.176000108.8
284Q33.2Very low34.5Very low144 Ų144145.1 Ų145.167%0.67381%0.807SS**PPolyproline II helixtrans-71.9120.2176.8-166.195.411.700110.2
285G30.8Very low34.3Very low74 Ų74147.4 Ų147.476%0.76382%0.815SS**PPolyproline II helixtrans-71127.5170.400000111.8
286Y30.3Very low33.9Very low213 Ų213145 Ų14584%0.83581%0.809SS**PPolyproline II helixtrans-97.7120.7166.2-85.3-91.6000109.6
287S31.8Very low33.7Very low124 Ų124142.9 Ų142.987%0.86781%0.814SS**  trans-165.992.1148.5-83.20000109.4
288N31.8Very low33.8Very low161 Ų161143.4 Ų143.486%0.86181%0.811SS**PPolyproline II helixtrans-98.5120.3159.5-79-46.3000107.4
289L35.1Very low33.7Very low177 Ų177142.9 Ų142.993%0.92781%0.812SS**PPolyproline II helixtrans-101.4138.1156.8-93.1161.7000108.2
290T35.3Very low33.6Very low124 Ų124142.8 Ų142.876%0.76181%0.811SS**PPolyproline II helixtrans-77.7145.3-158.236.30000114.5
291T32.6Very low33.6Very low133 Ų133143.4 Ų143.482%0.81680%0.803SS**PPolyproline II helixtrans-64.6140.1161.140.50000111.6
292I34.2Very low33.3Very low168 Ų168141.8 Ų141.886%0.86280%0.799SS**  trans-121.9127.6156.6-65.6178.9000106.8
293M40.8Very low33.2Very low157 Ų157139.5 Ų139.577%0.77381%0.806SS**  trans-80.7148.5179.3-66.5169.853.900112.1
294D32.8Very low33Very low137 Ų137136.6 Ų136.673%0.73380%0.796SS**  136161104-140.2-4.4000115.5
295N34.6Very low33Very low147 Ų147138.5 Ų138.579%0.78680%0.803SS**  trans98.293.3166.2-85.527.3000118.3
296G31.5Very low33Very low68 Ų68141.8 Ų141.870%0.70180%0.803SS**  trans-7717816800000115.1
297S37.3Very low32.9Very low128 Ų128136.8 Ų136.890%0.89580%0.799SS**  trans-154.5134154.4-810000109.7
298K37.4Very low33Very low204 Ų204138.8 Ų138.889%0.88780%0.799SS**  trans-73.3155.3178.3-62.1169.8174.9175.70110.6
299S33.1Very low32.9Very low116 Ų116137.3 Ų137.381%0.81180%0.801SS**  trans154.999.5144.2-670000107.6
300S32Very low32.6Very low105 Ų105131.8 Ų131.873%0.73479%0.787SS**  66.3139.371.8-158.80000115.7
301M30.4Very low32.4Very low147 Ų147132.8 Ų132.872%0.72479%0.788SS**  trans92.498.5167.2-52-94.980.600115.3
302T29.5Very low32.3Very low116 Ų116134 Ų13471%0.71278%0.784SS**  61.2114.984.962.70000114.6
303A30Very low32Very low103 Ų103134.3 Ų134.385%0.85178%0.782SS**  174.9137.6114.900000111.7
304T29.5Very low31.6Very low123 Ų123138 Ų13876%0.75579%0.787SS**  trans-74.8155.6176.8360000114.6
305K32.8Very low32.3Very low184 Ų184136.7 Ų136.780%0.879%0.786SS**  94.9143.8129.9-99.1179.3-177.9-178.70121.3
306N30Very low32.1Very low143 Ų143135.3 Ų135.377%0.76579%0.788SS**  trans90.6140.2156.7-63.1-0.8000116
307S29.3Very low32Very low108 Ų108137 Ų13776%0.75580%0.795SS**  cis-174.4166-7.441.40000108.5
308L32.6Very low31.6Very low166 Ų166134.3 Ų134.387%0.86979%0.788SS**  trans-53.1168.4-175.8-78.969.2000119
309S29.8Very low31.3Very low129 Ų129129.7 Ų129.790%0.90278%0.781SS**  trans112134.2136-151.30000114.1
310G28.9Very low31.2Very low61 Ų61130.5 Ų130.563%0.62978%0.781SS**  cis176.8161.16.200000109.7
311D32.1Very low31.2Very low146 Ų146133.6 Ų133.678%0.78178%0.784SS**  trans52.6119.2148.1-84.1-39.9000124.9
312Q30.6Very low31.1Very low157 Ų157131.7 Ų131.773%0.73478%0.784SS**  79.3140.2118.3-125.5175.8105.700123.3
313E27.9Very low31.3Very low176 Ų176131.1 Ų131.182%0.82278%0.784SS**  trans93.8129.5154.5-59.7-161.4110.400122.4
314R30.9Very low31.2Very low234 Ų234131.8 Ų131.888%0.88378%0.783SS**  trans-74.2-173.7168.1-106.7-171.2-176.1150.50.2110.6
315P47.2Very low31.3Very low109 Ų109134.8 Ų134.871%0.70879%0.786SS**  cis-138.7178.7-38.436-17.3000114.5
316S30.4Very low31.2Very low119 Ų119132.6 Ų132.683%0.83278%0.782SS**  trans110.8150.2133.4-146.70000122.3
317A31Very low31Very low102 Ų102132.8 Ų132.884%0.84378%0.783SS**  trans82.8133.1164.600000118.9
318G27.8Very low30.9Very low72 Ų72133.1 Ų133.174%0.74278%0.781SS**  cis-161.8156.15.100000109.1
319S31.6Very low30.7Very low108 Ų108131.2 Ų131.276%0.75578%0.775SS**  104.9113.259.71710000111.9
320V31.3Very low30.7Very low132 Ų132132.5 Ų132.580%0.877%0.767SS**  trans-159.895.3136.7-178.50000105.7
321Q32.4Very low30.6Very low170 Ų170136.5 Ų136.579%0.79477%0.77SS**  64.1143.397.9-77.2-170.7-19.200116.4
322C28.6Very low30.6Very low107 Ų107138.1 Ų138.172%0.72377%0.772SS**  cis178.9151-26.9-130.20000109.7
323S32.5Very low30.5Very low104 Ų104140.8 Ų140.873%0.72778%0.781SS**  trans76.8147.4136-66.70000121
324S27.4Very low30.5Very low117 Ų117135.6 Ų135.682%0.81878%0.775SS**  cis-172164.80.638.70000111.4
325K32.1Very low30.4Very low187 Ų187131 Ų13181%0.81377%0.767SS**  trans-90.6164.3-179.7-70.2171164.3-176.60114.7
326L30.7Very low29.6Very low137 Ų137133.7 Ų133.772%0.71777%0.768SS**  trans78.6124.4137.5-101.8135000121.9
327N26Very low29.5Very low147 Ų147136.5 Ų136.579%0.78677%0.768SS**  178.9139.6115.2-87.8-15.5000116.3
328T27.5Very low29.3Very low116 Ų116135.5 Ų135.571%0.71276%0.755SS**  trans-6.8141.2151.7-18.30000124.6
329V28.7Very low29.5Very low125 Ų125139 Ų13976%0.75876%0.761SS**  trans89.2127.7135.2154.60000124.3
330E28.1Very low29.4Very low156 Ų156140.6 Ų140.673%0.72976%0.761SS**  trans89.1135.4145.1-96.4-173.3-172.500126.9
331Q28.5Very low29.4Very low146 Ų146141 Ų14168%0.68276%0.759SS**  trans90.7106.8143.5-77.2179.837.700123.3
332Q30.8Very low30.1Very low180 Ų180136.9 Ų136.984%0.84175%0.747SS**  43.1127.7125.7-68-175.5-11.900121
333K29.5Very low30.1Very low212 Ų212139.9 Ų139.992%0.92275%0.75SS**  -174.5121.7115.6-148.9161.5-177.4174.60114.6
334G27.7Very low30Very low67 Ų67143.3 Ų143.369%0.69176%0.755SS**  trans78.2147142.500000119.7
335L28.5Very low30.1Very low138 Ų138142.3 Ų142.372%0.72375%0.748SS**  cis-178.5137.9-0.6-152.669.8000110.2
336F29.6Very low30.1Very low165 Ų165142.7 Ų142.772%0.72475%0.75SS**  trans67.1114.2157.4-56.9-40.6000122
337H29.2Very low30.2Very low178 Ų178145 Ų14582%0.82476%0.757SS**  65.7144.885.4-87-56.7000114
338S27.3Very low30.4Very low82 Ų82146.4 Ų146.457%0.57376%0.764SS**  cis164.2137.9-11159.50000104.6
339V31.1Very low30.5Very low145 Ų145147.7 Ų147.788%0.87977%0.766SS**  trans-151146149.8-1770000108.7
340D29.6Very low30.6Very low141 Ų141153.2 Ų153.275%0.75477%0.773SS**  trans-77.5161.5-158.8-59.4-75000118.7
341D31.2Very low30.9Very low140 Ų140152.9 Ų152.975%0.74978%0.776SS**  trans-26.5176.7146.1-136.919.3000116
342P47.1Very low31.8Very low85 Ų85151.5 Ų151.555%0.55278%0.78SS**  cis-152.8177.915.239.9-15.4000120.3
343H29.9Very low32Very low169 Ų169147.2 Ų147.278%0.78278%0.775SS**  trans70.9117.7151.1-55.9-48.9000121.4
344Q28.9Very low32.2Very low177 Ų177145 Ų14583%0.82777%0.773SS**  -161.7120.6109.5-159.6147.815.400112.6
345S30.3Very low32.6Very low95 Ų95148.9 Ų148.966%0.66478%0.776SS**  trans-78146.6172.948.30000112.9
346F33Very low32.9Very low195 Ų195148.1 Ų148.186%0.85578%0.78SS**  trans-154.6113.3132.9-82.4-67000110
347E31.2Very low33.2Very low187 Ų187146.4 Ų146.487%0.87478%0.782SS**  trans-78.1152.5163-76.2177.3129.100110.7
348L31Very low33.5Very low176 Ų176143.1 Ų143.192%0.92178%0.777SS**  trans-154.899.9136.3-112.2161.5000111.2
349D29.5Very low34.1Very low143 Ų143145 Ų14577%0.76579%0.79SS**  trans-13.7128.5151.4-153.36.4000119.1
350R30.8Very low34.2Very low241 Ų241143.6 Ų143.691%0.90979%0.787SS**  trans-177.6112.8134.3-122.3-179.6-178.3171.31.5112.4
351D33.9Very low34.6Very low148 Ų148141.9 Ų141.979%0.79179%0.786SS**  trans-109.1171.6148.3-108.7-25.8000107.6
352P48.8Very low35Very low117 Ų117140.8 Ų140.876%0.7679%0.786SS**  cis-138.9166.511.238.4-19.5000115.3
353A33.2Very low34.7Very low90 Ų90145.1 Ų145.174%0.74480%0.799SS**  trans178.8107.8136.900000113.5
354L33.8Very low35.4Very low165 Ų165142.5 Ų142.586%0.86479%0.791SS**  trans35.8113.3133.2-60165.6000119.6
355I36.7Very low36.1Very low150 Ų150140 Ų14077%0.76978%0.782SS**  177.2127.5115.4-82.6151.6000108.4
356P34.9Very low36.9Very low122 Ų122140.3 Ų140.379%0.79278%0.779SS**PPolyproline II helixtrans-84.5121.9173.431.5-27.9000110.7
357V35.3Very low37.2Very low129 Ų129136.1 Ų136.178%0.78277%0.766SS**PPolyproline II helixtrans-95120.1162.6177.50000107.4S359V357-S359 PolarHBondContact O-N 3.45Å
358P35.8Very low37.6Very low109 Ų109134.5 Ų134.571%0.70876%0.759SS**PPolyproline II helixtrans-75.6126.8170.828.6-28.8000109.9S360P358-S360 PolarHBondContact O-N 3.27Å
359S40.3Very low38.4Very low120 Ų120131.6 Ų131.684%0.83974%0.742SS**PPolyproline II helixtrans-51.2127.1160.4520000111.2V357V357-S359 PolarHBondContact O-N 3.45Å
360S32.9Very low39Very low117 Ų117131.5 Ų131.582%0.81874%0.741SS**  trans-145.4131.4157.153.90000111.3P358P358-S360 PolarHBondContact O-N 3.27Å
361S37.5Very low39.6Very low105 Ų105128.6 Ų128.673%0.73474%0.738SS**  trans-67.5158.4-177.3-57.60000112.9E363S361-E363 VanDerWaalsContact C-N 3.29Å; S361-E363 PolarHBondContact O-N 3.01Å; S361-E363 VanDerWaalsContact O-N 3.08Å
362P39.8Very low39.9Very low116 Ų116126 Ų12675%0.75373%0.732SS**SBendtrans-84.225.1-164.134.9-36.2000115.6
363E42.1Very low39.8Very low176 Ų176127.3 Ų127.382%0.82273%0.731SS**THydrogen-bonded Turntrans-94.912.2-166.6-67.6-166.7142.700116S361S361-E363 VanDerWaalsContact C-N 3.29Å; S361-E363 PolarHBondContact O-N 3.01Å; S361-E363 VanDerWaalsContact O-N 3.08Å
364N44.3Very low40.3Very low115 Ų115131 Ų13162%0.61574%0.738SS**THydrogen-bonded Turntrans-132.216.3-174.9-137.722.1000116.6
365I42.2Very low41.2Very low123 Ų123127.9 Ų127.963%0.63173%0.73SS**SBendtrans-93-13.9179.7-66.2170.8000112.2I369I365-I369 HydrophobicContact CG2-CD1 4.37Å
366V47.5Very low41.4Very low102 Ų102128.2 Ų128.262%0.61873%0.734SS**SBendtrans-82-28-174.5-173.40000112.3
367D40.8Very low42.2Very low108 Ų108128.5 Ų128.558%0.57874%0.738SS**Hα-helixtrans-81.2-29-174.5-68.8-25.8000113.6I369 L370D367-I369 VanDerWaalsContact C-N 3.35Å; D367-I369 PolarHBondContact O-N 3.45Å; D367-L370 PolarHBondContact O-N 3.41Å
368Q39Very low42.7Very low153 Ų153131.1 Ų131.172%0.71574%0.742SS**Hα-helixtrans-77.9-16.7178.1-83.3169.325.200114.4
369I47.7Very low43Very low114 Ų114129.2 Ų129.259%0.58574%0.742SS**Hα-helixtrans-87.9-23.1176.3-60.1175.6000110.7I365 D367I365-I369 HydrophobicContact CG2-CD1 4.37Å; D367-I369 VanDerWaalsContact C-N 3.35Å; D367-I369 PolarHBondContact O-N 3.45Å
370L42.2Very low43.5Very low141 Ų141130.9 Ų130.974%0.73874%0.74SS**Hα-helixtrans-80.1-18.4178.8-117.381.8000114.1D367D367-L370 PolarHBondContact O-N 3.41Å
371E43.7Very low43.7Very low180 Ų180134.4 Ų134.484%0.84174%0.741SS**SBendtrans-95.1-2.8-177.6-113179.5177.400114.6
372S40.5Very low44.5Very low95 Ų95135.1 Ų135.166%0.66474%0.735SS**SBendtrans-111.99.3-173.258.60000115.9
373I46Very low44.6Very low144 Ų144136.7 Ų136.774%0.73874%0.737SS**  trans-107.54-175.5-142.5156.9000115.4S375I373-S375 PolarHBondContact O-N 3.43Å
374D44Very low44.6Very low167 Ų167137 Ų13789%0.89374%0.736SS**SBendtrans-95.328-177.5-97.6-7.5000114.7
375S51.8Low44.3Very low100 Ų100134.9 Ų134.970%0.69974%0.741SS**  trans-15197.3169.6-1640000111.8I373I373-S375 PolarHBondContact O-N 3.43Å
376D40.7Very low44.4Very low157 Ų157140.8 Ų140.884%0.8476%0.756SS**  trans-176.695.5131.9-86.7-15.1000109.7E378D376-E378 PolarHBondContact O-N 3.3Å
377S52.7Low43.8Very low128 Ų128139 Ų13990%0.89576%0.758SS**  trans-81.993.8170.548.80000110
378E44.3Very low43.4Very low184 Ų184139.7 Ų139.786%0.8677%0.769SS**  trans-108.9100.9165.8-150.3165.6-152.700109.1D376 I380D376-E378 PolarHBondContact O-N 3.3Å; E378-I380 PolarHBondContact O-N 2.95Å
379G42.7Very low43.6Very low68 Ų68138 Ų13870%0.70177%0.774SS**  trans-69.3122.1177.300000110.7F381G379-F381 PolarHBondContact O-N 3.06Å; G379-F381 VanDerWaalsContact O-N 3.16Å
380I50.9Low43.1Very low156 Ų156140.5 Ų140.580%0.879%0.789SS**  trans-74105.8173.3-59.2174.8000108.5E378 I382E378-I380 PolarHBondContact O-N 2.95Å; I380-I382 HydrophobicContact CG2-CG1 4.01Å
381F37.4Very low42.8Very low190 Ų190139.6 Ų139.683%0.83380%0.795SS**  trans-80.3120.6163.7-100-96000108.9G379G379-F381 PolarHBondContact O-N 3.06Å; G379-F381 VanDerWaalsContact O-N 3.16Å
382I53.8Low42.5Very low120 Ų120136.5 Ų136.562%0.61579%0.793SS**  trans-100.6111.7168.5-52.8-178.8000108I380 F384I380-I382 HydrophobicContact CG2-CG1 4.01Å; I382-F384 HydrophobicContact CB-CE2 4.18Å; I382-F384 HydrophobicContact CG2-CD2 3.84Å; I382-F384 HydrophobicContact CG2-CE1 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.3Å; I382-F384 HydrophobicContact CG2-CZ 3.56Å
383D42.1Very low42.1Very low150 Ų150136.3 Ų136.380%0.80280%0.797SS**  trans-90.9122.8172.6-169.411.8000109.6
384F42.5Very low41.5Very low183 Ų183139.4 Ų139.480%0.80380%0.801SS**  trans-107.778.1174.2-74.1-77000109I382 R386I382-F384 HydrophobicContact CB-CE2 4.18Å; I382-F384 HydrophobicContact CG2-CD2 3.84Å; I382-F384 HydrophobicContact CG2-CE1 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.3Å; I382-F384 HydrophobicContact CG2-CZ 3.56Å; F384-R386 PolarHBondContact O-N 3.38Å
385G38.1Very low41.1Very low69 Ų69137.4 Ų137.471%0.71179%0.79SS**  trans-63.9119.2169.200000111.3
386R44.3Very low40.5Very low248 Ų248137.9 Ų137.994%0.93679%0.789SS**  trans-74.6118.7171.5-165.4-176.1-135.4-101.63.4109.3F384F384-R386 PolarHBondContact O-N 3.38Å
387G35.2Very low40.2Very low65 Ų65137.2 Ų137.267%0.6779%0.785SS**  trans-169.691.5169.500000110.2
388C32.9Very low39.6Very low121 Ų121137.1 Ų137.182%0.81878%0.779SS**  62.6107.4100.2-71.10000113.5
389S43Very low39.2Very low117 Ų117135.6 Ų135.682%0.81878%0.777SS**  trans-38.7133.8169.6-48.50000113.7
390N35.8Very low39.1Very low167 Ų167142.5 Ų142.589%0.89378%0.782SS**  trans-141.2106.8148.9-82.6-35000108.2
391S36.3Very low38.4Very low122 Ų122142.6 Ų142.685%0.85378%0.779SS**  trans-69.1122.7171.855.10000110
392S36.8Very low38.3Very low115 Ų115138.3 Ų138.380%0.80477%0.772SS**  trans-83.8113166.4-178.90000109.1Y394S392-Y394 PolarHBondContact O-N 2.84Å
393A33Very low37.4Very low92 Ų92139.9 Ų139.976%0.7678%0.781SS**PPolyproline II helixtrans-61.6122.6170.400000109.9
394Y33.5Very low36.9Very low208 Ų208144.8 Ų144.882%0.81680%0.802SS**PPolyproline II helixtrans-87.3116.2163.867.4-88.3000107.5S392 V396S392-Y394 PolarHBondContact O-N 2.84Å; Y394-V396 HydrophobicContact CD2-CG2 4.37Å
395N36.2Very low36.7Very low125 Ų125142.9 Ų142.967%0.66880%0.802SS**PPolyproline II helixtrans-90.5118171.5-175-44.5000107.2D397N395-D397 PolarHBondContact OD1-N 3.41Å; N395-D397 PolarHBondContact OD1-OD2 3.38Å
396V38.6Very low36.6Very low111 Ų111146.8 Ų146.867%0.67381%0.806SS**  trans-131.989.3165.1-178.80000107Y394 V398Y394-V396 HydrophobicContact CD2-CG2 4.37Å; V396-V398 HydrophobicContact CG1-CG2 4.11Å; V396-V398 PolarHBondContact O-N 3.23Å
397D33.6Very low36.2Very low143 Ų143141.2 Ų141.277%0.76580%0.799SS**  trans-61.8108.6164.7-82.1-46.8000110N395N395-D397 PolarHBondContact OD1-N 3.41Å; N395-D397 PolarHBondContact OD1-OD2 3.38Å
398V39.9Very low36.2Very low126 Ų126145.6 Ų145.676%0.76481%0.807SS**  trans-101.197.6163.9178.70000107.9V396V396-V398 HydrophobicContact CG1-CG2 4.11Å; V396-V398 PolarHBondContact O-N 3.23Å
399N37.2Very low36.4Very low152 Ų152147.2 Ų147.281%0.81381%0.806SS**  trans-73.3118173.6-169.78.6000110.5
400R39.9Very low36Very low212 Ų212149.2 Ų149.280%0.881%0.805SS**  trans-142.6110.3156.9-92.3-163178.6-167.30.3111.2
401Q37.4Very low36Very low159 Ų159147.9 Ų147.974%0.74380%0.799SS**  trans60.7122.9138.6-73.6155.3-22.500119.3
402S33.5Very low36Very low99 Ų99149.9 Ų149.969%0.69280%0.795SS**  170.7145.693.8-156.90000112.6
403I35.3Very low35.9Very low154 Ų154152.8 Ų152.879%0.7979%0.794SS**  trans71.3120.1160.8-55.1140000114.1
404M32.8Very low36.2Very low253 Ų253158.4 Ų158.4100%1.24680%0.797SS**  cis-155.6038.2-156.9171.3-173.400110.1

Retrieved 404 of 404 residues in 121 ms (Link to these results)