A0A087X3D5_POEFO Loading...

Ubiquitin-like-conjugating enzyme ATG10

AlphaFold DB , UniProt , Accession A0A087X3D5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M38Very low74.7Confident241 Ų24186.3 Ų86.3100%1.18747%0.469SS*.  0115.60-66.7178.8177.300105.9C3M1-C3 PolarHBondContact O-N 2.84Å; M1-C3 VanDerWaalsContact O-N 3.07Å
2S44.3Very low76.5Confident109 Ų10985.5 Ų85.576%0.76245%0.454SS*.  trans-67104.5-174.5520000109.9S4S2-S4 PolarHBondContact O-N 2.99Å; S2-S4 VanDerWaalsContact O-N 3.14Å
3C50.6Low77.9Confident90 Ų9092.5 Ų92.561%0.60847%0.471SS*.  trans-85.151.5178.7-1710000110.4M1 Q198M1-C3 PolarHBondContact O-N 2.84Å; M1-C3 VanDerWaalsContact O-N 3.07Å; C3-Q198 PolarHBondContact SG-NE2 2.78Å
4S60.4Low79.2Confident19 Ų1987 Ų8713%0.13345%0.445CS..  trans-118.1-17.4-167.558.70000116.2S2 E187S2-S4 PolarHBondContact O-N 2.99Å; S2-S4 VanDerWaalsContact O-N 3.14Å; S4-E187 VanDerWaalsContact CB-OE1 3.31Å; S4-E187 WeakPolarHBondContact CB-OE1 3.43Å; S4-E187 PolarHBondContact OG-OE1 3.05Å
5V71.8Confident80.5Confident98 Ų9881.3 Ų81.359%0.59442%0.415SS*.PPolyproline II helixtrans-97.5118.4-174.5-171.20000110.1
6L88.9Confident81.5Confident4 Ų483.7 Ų83.72%0.02142%0.424CS..PPolyproline II helixtrans-76.7125.9172.4-175.874.7000108.1Q10 F11 F120 G125 Y206 V207L6-Q10 HydrophobicContact CD1-CB 3.59Å; L6-Q10 HydrophobicContact CG-CB 4.4Å; L6-F11 HydrophobicContact CD2-CB 3.85Å; L6-F11 HydrophobicContact CD2-CD2 4Å; L6-F11 HydrophobicContact CD2-CG 4.43Å; L6-F11 HydrophobicContact CG-CB 4.24Å; L6-F120 WeakPolarHBondContact O-CE2 3.18Å; L6-F120 WeakPolarHBondContact O-CZ 3.3Å; L6-G125 WeakPolarHBondContact CB-O 3.45Å; L6-G125 PolarHBondContact N-O 3.49Å; L6-G125 VanDerWaalsContact N-O 3.08Å; L6-G125 CarbonylContact O-C 3.6Å; L6-G125 WeakPolarHBondContact O-CA 3.37Å; L6-Y206 HydrophobicContact CB-CD2 4.5Å; L6-Y206 HydrophobicContact CB-CE1 4.4Å; L6-Y206 HydrophobicContact CB-CE2 4.26Å; L6-Y206 HydrophobicContact CD1-CD1 4.24Å; L6-Y206 HydrophobicContact CD1-CD2 4.1Å; L6-Y206 HydrophobicContact CD1-CG 3.86Å; L6-Y206 HydrophobicContact CD2-CD1 3.76Å; L6-Y206 HydrophobicContact CD2-CE1 4.04Å; L6-Y206 HydrophobicContact CD2-CG 4.25Å; L6-Y206 HydrophobicContact CG-CD1 4.43Å; L6-Y206 HydrophobicContact CG-CG 4.5Å; L6-V207 HydrophobicContact CD2-CG2 4.46Å
7D92.4Very high82.3Confident68 Ų6883.5 Ų83.536%0.36442%0.424SS..PPolyproline II helixtrans-90169.117069.145.8000111.8E9 Q10 F11D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 3.06Å; D7-E9 PolarHBondContact OD1-N 3.04Å; D7-E9 VanDerWaalsContact OD1-N 3.08Å; D7-Q10 PolarHBondContact O-N 3.41Å; D7-Q10 WeakPolarHBondContact OD1-CB 3.31Å; D7-Q10 WeakPolarHBondContact OD1-CG 3.38Å; D7-Q10 PolarHBondContact OD1-N 3.26Å; D7-Q10 PolarHBondContact OD2-NE2 3.17Å; D7-F11 WeakPolarHBondContact O-CB 3.47Å; D7-F11 PolarHBondContact O-N 3.06Å
8E92.6Very high83.1Confident79 Ų7978.9 Ų78.937%0.36940%0.401SS..Hα-helixtrans-66.3-34.2-175.5-168.7178.8165.700113F11 R12 F120E8-F11 PolarHBondContact O-N 2.78Å; E8-R12 WeakPolarHBondContact O-CG 3.42Å; E8-R12 PolarHBondContact O-N 3.05Å; E8-F120 HydrophobicContact CB-CD1 3.75Å; E8-F120 HydrophobicContact CB-CE1 3.67Å; E8-F120 HydrophobicContact CB-CG 4.43Å; E8-F120 HydrophobicContact CB-CZ 4.29Å; E8-F120 HydrophobicContact CG-CD1 3.8Å; E8-F120 HydrophobicContact CG-CE1 4.24Å; E8-F120 HydrophobicContact CG-CG 4.35Å
9E93.4Very high83.9Confident148 Ų14876.1 Ų76.169%0.69239%0.387SS*.Hα-helixtrans-68.6-44.5178.2-172-174.8160.100110.5D7 F11 R12 R13D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 3.06Å; D7-E9 PolarHBondContact OD1-N 3.04Å; D7-E9 VanDerWaalsContact OD1-N 3.08Å; E9-F11 VanDerWaalsContact C-N 3.33Å; E9-F11 PolarHBondContact O-N 3.19Å; E9-R12 PolarHBondContact O-N 2.97Å; E9-R13 WeakPolarHBondContact O-CB 3.34Å; E9-R13 PolarHBondContact O-N 2.93Å
10Q94Very high84.5Confident90 Ų9078 Ų7842%0.42139%0.394SS..Hα-helixtrans-61.9-41.7173.9-69170.215.400111.4L6 D7 R13 C14L6-Q10 HydrophobicContact CD1-CB 3.59Å; L6-Q10 HydrophobicContact CG-CB 4.4Å; D7-Q10 PolarHBondContact O-N 3.41Å; D7-Q10 WeakPolarHBondContact OD1-CB 3.31Å; D7-Q10 WeakPolarHBondContact OD1-CG 3.38Å; D7-Q10 PolarHBondContact OD1-N 3.26Å; D7-Q10 PolarHBondContact OD2-NE2 3.17Å; Q10-R13 PolarHBondContact O-N 3.37Å; Q10-C14 WeakPolarHBondContact O-CB 3.33Å; Q10-C14 PolarHBondContact O-N 3.41Å; Q10-C14 PolarHBondContact O-SG 3.43Å
11F95.6Very high85Confident3 Ų376 Ų761%0.01338%0.382CS..Hα-helixtrans-58.3-51.6173.5172.8-96.4000111L6 D7 E8 E9 R13 C14 C15 W31 I118 F120 P127 V207L6-F11 HydrophobicContact CD2-CB 3.85Å; L6-F11 HydrophobicContact CD2-CD2 4Å; L6-F11 HydrophobicContact CD2-CG 4.43Å; L6-F11 HydrophobicContact CG-CB 4.24Å; D7-F11 WeakPolarHBondContact O-CB 3.47Å; D7-F11 PolarHBondContact O-N 3.06Å; E8-F11 PolarHBondContact O-N 2.78Å; E9-F11 VanDerWaalsContact C-N 3.33Å; E9-F11 PolarHBondContact O-N 3.19Å; F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 3.39Å; F11-C14 WeakPolarHBondContact O-CB 3.24Å; F11-C14 PolarHBondContact O-N 3.24Å; F11-C15 VanDerWaalsContact CE1-SG 3.58Å; F11-C15 WeakPolarHBondContact CZ-SG 3.35Å; F11-C15 PolarHBondContact O-N 2.76Å; F11-C15 PolarHBondContact O-SG 3.01Å; F11-W31 HydrophobicContact CE1-CH2 4.15Å; F11-W31 HydrophobicContact CE1-CZ3 4.15Å; F11-I118 HydrophobicContact CE2-CG2 4.06Å; F11-I118 HydrophobicContact CZ-CG2 4.27Å; F11-F120 HydrophobicContact CB-CB 4.42Å; F11-F120 HydrophobicContact CB-CD2 3.79Å; F11-F120 HydrophobicContact CB-CE2 4.43Å; F11-F120 HydrophobicContact CB-CG 4.3Å; F11-F120 HydrophobicContact CD1-CB 3.66Å; F11-F120 HydrophobicContact CD1-CG 4.39Å; F11-F120 HydrophobicContact CD2-CB 4.27Å; F11-F120 HydrophobicContact CD2-CD2 4.24Å; F11-F120 HydrophobicContact CE1-CB 3.89Å; F11-F120 HydrophobicContact CE2-CB 4.49Å; F11-F120 HydrophobicContact CG-CB 3.85Å; F11-F120 AromaticContact CG-CD2 3.95Å; F11-F120 HydrophobicContact CG-CD2 3.95Å; F11-F120 HydrophobicContact CG-CG 4.23Å; F11-F120 HydrophobicContact CZ-CB 4.31Å; F11-P127 HydrophobicContact CD2-CB 4.32Å; F11-P127 HydrophobicContact CE2-CB 3.97Å; F11-V207 HydrophobicContact CD2-CG2 3.56Å; F11-V207 HydrophobicContact CE2-CG2 3.85Å; F11-V207 HydrophobicContact CG-CG2 4.49Å
12R95.5Very high87.8Confident77 Ų7764.7 Ų64.729%0.29133%0.326SS..Hα-helixtrans-58.2-44.3178.2-78.6-169.6-79.6166.7-10.9111.7E8 E9 C14 C15 Q16 W31 E38E8-R12 WeakPolarHBondContact O-CG 3.42Å; E8-R12 PolarHBondContact O-N 3.05Å; E9-R12 PolarHBondContact O-N 2.97Å; R12-C14 PolarHBondContact O-N 3.23Å; R12-C15 WeakPolarHBondContact O-CB 3.27Å; R12-C15 PolarHBondContact O-N 2.72Å; R12-Q16 WeakPolarHBondContact O-CG 3.49Å; R12-Q16 PolarHBondContact O-N 3.09Å; R12-W31 HydrophobicContact CG-CH2 4.4Å; R12-E38 IonicContact CZ-OE2 3.96Å; R12-E38 IonicContact NH1-OE2 3.43Å; R12-E38 PolarHBondContact NH1-OE2 3.02Å; R12-E38 IonicContact NH2-OE2 2.72Å; R12-E38 PolarHBondContact NH2-OE2 3.16Å
13R95.6Very high90.2Very high177 Ų17765.4 Ų65.467%0.66832%0.322SS*.Hα-helixtrans-61.7-43.8176.4-174.5177.2-179.4178.20.6112.2E9 Q10 F11 C15 Q16 L17E9-R13 WeakPolarHBondContact O-CB 3.34Å; E9-R13 PolarHBondContact O-N 2.93Å; Q10-R13 PolarHBondContact O-N 3.37Å; F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 3.39Å; R13-C15 VanDerWaalsContact C-N 3.32Å; R13-C15 PolarHBondContact O-N 2.9Å; R13-Q16 PolarHBondContact O-N 3.43Å; R13-L17 WeakPolarHBondContact O-CG 3.44Å; R13-L17 PolarHBondContact O-N 2.84Å; R13-L17 VanDerWaalsContact O-N 3.1Å
14C96.3Very high92.3Very high15 Ų1566.2 Ų66.210%0.10132%0.317CS..Hα-helixtrans-62.2-40.4175.8-71.50000111.8Q10 F11 R12 L17 L18 N205 V207Q10-C14 WeakPolarHBondContact O-CB 3.33Å; Q10-C14 PolarHBondContact O-N 3.41Å; Q10-C14 PolarHBondContact O-SG 3.43Å; F11-C14 WeakPolarHBondContact O-CB 3.24Å; F11-C14 PolarHBondContact O-N 3.24Å; R12-C14 PolarHBondContact O-N 3.23Å; C14-L17 PolarHBondContact O-N 2.52Å; C14-L18 WeakPolarHBondContact O-CB 3.37Å; C14-L18 PolarHBondContact O-N 2.81Å; C14-N205 WeakPolarHBondContact CB-OD1 3.49Å; C14-N205 PolarHBondContact O-ND2 3.49Å; C14-V207 HydrophobicContact CB-CB 3.84Å; C14-V207 HydrophobicContact CB-CG2 3.5Å; C14-V207 VanDerWaalsContact CB-CG2 3.5Å
15C97.4Very high94Very high1 Ų167.6 Ų67.61%0.00732%0.322CS..Hα-helixtrans-63.5-44.7175.9-65.30000111.9F11 R12 R13 L17 L18 L19 W31 L42F11-C15 VanDerWaalsContact CE1-SG 3.58Å; F11-C15 WeakPolarHBondContact CZ-SG 3.35Å; F11-C15 PolarHBondContact O-N 2.76Å; F11-C15 PolarHBondContact O-SG 3.01Å; R12-C15 WeakPolarHBondContact O-CB 3.27Å; R12-C15 PolarHBondContact O-N 2.72Å; R13-C15 VanDerWaalsContact C-N 3.32Å; R13-C15 PolarHBondContact O-N 2.9Å; C15-L17 VanDerWaalsContact C-N 3.35Å; C15-L17 PolarHBondContact O-N 3.03Å; C15-L18 WeakPolarHBondContact O-CB 3.25Å; C15-L18 PolarHBondContact O-N 3.22Å; C15-L18 VanDerWaalsContact O-N 3.16Å; C15-L19 VanDerWaalsContact O-CG 3.31Å; C15-L19 WeakPolarHBondContact O-CG 3.48Å; C15-L19 PolarHBondContact O-N 3.24Å; C15-W31 HydrophobicContact CB-CE3 4.26Å; C15-W31 HydrophobicContact CB-CZ3 4Å; C15-L42 HydrophobicContact CB-CD1 3.94Å; C15-L42 HydrophobicContact CB-CD2 4.02Å; C15-L42 HydrophobicContact CB-CG 3.94Å; C15-L42 VanDerWaalsContact SG-CD1 3.52Å
16Q96.8Very high95.1Very high120 Ų12066.2 Ų66.256%0.56133%0.327SS*.Hα-helixtrans-59.8-43.5176.5-72.7172.1-9.900112.2R12 R13 L18 L19 Q20R12-Q16 WeakPolarHBondContact O-CG 3.49Å; R12-Q16 PolarHBondContact O-N 3.09Å; R13-Q16 PolarHBondContact O-N 3.43Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3.17Å; Q16-L19 PolarHBondContact O-N 2.95Å; Q16-Q20 WeakPolarHBondContact O-CG 3.44Å; Q16-Q20 PolarHBondContact O-N 3.31Å
17L95.9Very high95.4Very high81 Ų8167.5 Ų67.542%0.42433%0.334SS..Hα-helixtrans-64.6-37.7175.9-69.4173.4000112.1R13 C14 C15 R21R13-L17 WeakPolarHBondContact O-CG 3.44Å; R13-L17 PolarHBondContact O-N 2.84Å; R13-L17 VanDerWaalsContact O-N 3.1Å; C14-L17 PolarHBondContact O-N 2.52Å; C15-L17 VanDerWaalsContact C-N 3.35Å; C15-L17 PolarHBondContact O-N 3.03Å; L17-R21 PolarHBondContact O-N 2.88Å
18L96.6Very high95.6Very high1 Ų166.6 Ų66.61%0.00534%0.341CS..Hα-helixtrans-63.1-45.8174.5-175.4158000110.5C14 C15 Q16 R21 S22 W29 L42 V207 L208 L211 Y226C14-L18 WeakPolarHBondContact O-CB 3.37Å; C14-L18 PolarHBondContact O-N 2.81Å; C15-L18 WeakPolarHBondContact O-CB 3.25Å; C15-L18 PolarHBondContact O-N 3.22Å; C15-L18 VanDerWaalsContact O-N 3.16Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3.17Å; L18-R21 CarbonylContact O-C 3.52Å; L18-R21 WeakPolarHBondContact O-CB 3.41Å; L18-R21 PolarHBondContact O-N 3.49Å; L18-R21 VanDerWaalsContact O-N 3.17Å; L18-S22 PolarHBondContact O-N 3.43Å; L18-W29 HydrophobicContact CD2-CB 3.98Å; L18-W29 HydrophobicContact CD2-CD2 3.92Å; L18-W29 HydrophobicContact CD2-CG 3.65Å; L18-L42 HydrophobicContact CD1-CD1 4.12Å; L18-L42 HydrophobicContact CD2-CD1 4.33Å; L18-V207 HydrophobicContact CD1-CG1 4.34Å; L18-L208 HydrophobicContact CD1-CB 4.41Å; L18-L208 HydrophobicContact CD1-CD1 4.32Å; L18-L211 HydrophobicContact CD1-CD2 4.21Å; L18-Y226 HydrophobicContact CG-CE1 4.19Å
19L97.4Very high95.8Very high24 Ų2463.5 Ų63.513%0.12633%0.326CS..Hα-helixtrans-64.1-43.2179.4-69.8164.1000112.4C15 Q16 R21 S22 D23 W29 W31 L42C15-L19 VanDerWaalsContact O-CG 3.31Å; C15-L19 WeakPolarHBondContact O-CG 3.48Å; C15-L19 PolarHBondContact O-N 3.24Å; Q16-L19 PolarHBondContact O-N 2.95Å; L19-R21 PolarHBondContact O-N 3.16Å; L19-S22 WeakPolarHBondContact O-CA 3.36Å; L19-S22 WeakPolarHBondContact O-CB 3.38Å; L19-S22 PolarHBondContact O-N 3.1Å; L19-D23 PolarHBondContact O-N 3.18Å; L19-W29 HydrophobicContact CD2-CB 3.85Å; L19-W31 HydrophobicContact CD1-CB 3.73Å; L19-L42 HydrophobicContact CD1-CD2 3.74Å; L19-L42 HydrophobicContact CD2-CD2 3.68Å; L19-L42 HydrophobicContact CG-CD2 3.63Å
20Q95.9Very high96Very high114 Ų11458.6 Ų58.653%0.53331%0.308SS..Hα-helixtrans-55.5-38.7173.6-74.8174.62.400112.1Q16 Q24Q16-Q20 WeakPolarHBondContact O-CG 3.44Å; Q16-Q20 PolarHBondContact O-N 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.2Å
21R95Very high96.2Very high38 Ų3858.4 Ų58.414%0.14330%0.303CS..Hα-helixtrans-73.4-41.8175.4-173.154.6168.2176.7-5111.3L17 L18 L19 D23 Q24 L25 Q225 Y226 T228 L230L17-R21 PolarHBondContact O-N 2.88Å; L18-R21 CarbonylContact O-C 3.52Å; L18-R21 WeakPolarHBondContact O-CB 3.41Å; L18-R21 PolarHBondContact O-N 3.49Å; L18-R21 VanDerWaalsContact O-N 3.17Å; L19-R21 PolarHBondContact O-N 3.16Å; R21-D23 VanDerWaalsContact C-N 3.33Å; R21-D23 PolarHBondContact O-N 2.9Å; R21-Q24 WeakPolarHBondContact O-CB 3.45Å; R21-Q24 PolarHBondContact O-N 3.48Å; R21-Q24 VanDerWaalsContact O-N 3.17Å; R21-L25 HydrophobicContact CG-CD1 4.15Å; R21-L25 HydrophobicContact CG-CG 4.46Å; R21-L25 WeakPolarHBondContact O-CG 3.37Å; R21-L25 PolarHBondContact O-N 3.45Å; R21-L25 VanDerWaalsContact O-N 3.09Å; R21-Q225 VanDerWaalsContact CZ-O 3.28Å; R21-Q225 PolarHBondContact NE-O 3Å; R21-Q225 PolarHBondContact NH2-O 3.42Å; R21-Y226 HydrophobicContact CB-CD1 3.92Å; R21-Y226 HydrophobicContact CB-CE1 3.76Å; R21-Y226 HydrophobicContact CG-CD1 3.41Å; R21-Y226 VanDerWaalsContact CG-CD1 3.41Å; R21-Y226 HydrophobicContact CG-CE1 3.6Å; R21-Y226 HydrophobicContact CG-CG 4.16Å; R21-T228 PolarHBondContact NH2-O 2.83Å; R21-T228 PolarHBondContact NH2-OG1 3.21Å; R21-L230 VanDerWaalsContact NH1-CG 3.27Å
22S96.6Very high96.3Very high2 Ų261.1 Ų61.11%0.01432%0.316CS..Hα-helixtrans-58.1-43.4176.9-176.80000112.6L18 L19 Q24 L25 G26 D27 W29 Y226L18-S22 PolarHBondContact O-N 3.43Å; L19-S22 WeakPolarHBondContact O-CA 3.36Å; L19-S22 WeakPolarHBondContact O-CB 3.38Å; L19-S22 PolarHBondContact O-N 3.1Å; S22-Q24 PolarHBondContact O-N 2.98Å; S22-L25 CarbonylContact O-C 3.56Å; S22-L25 PolarHBondContact O-N 3.37Å; S22-G26 PolarHBondContact O-N 3.2Å; S22-D27 VanDerWaalsContact CA-OD1 3.25Å; S22-D27 WeakPolarHBondContact CA-OD1 3.29Å; S22-D27 VanDerWaalsContact CB-OD1 3.24Å; S22-D27 WeakPolarHBondContact CB-OD1 3.46Å; S22-D27 PolarHBondContact OG-OD1 2.89Å; S22-W29 VanDerWaalsContact OG-CB 3.27Å; S22-W29 WeakPolarHBondContact OG-CB 3.43Å; S22-W29 PolarHBondContact OG-N 3.49Å; S22-Y226 WeakPolarHBondContact CA-OH 3.45Å; S22-Y226 WeakPolarHBondContact CB-OH 3.44Å
23D96.1Very high96.2Very high125 Ų12560.6 Ų60.667%0.66833%0.328SS*.Hα-helixtrans-58.3-37.1177.6-72.8-19.3000111.9L19 R21L19-D23 PolarHBondContact O-N 3.18Å; R21-D23 VanDerWaalsContact C-N 3.33Å; R21-D23 PolarHBondContact O-N 2.9Å
24Q94.2Very high95.9Very high107 Ų10754.2 Ų54.250%0.531%0.309SS..Hα-helixtrans-73.4-33176.7-63.6166.26.100112.6Q20 R21 S22 L230Q20-Q24 WeakPolarHBondContact O-CG 3.2Å; R21-Q24 WeakPolarHBondContact O-CB 3.45Å; R21-Q24 PolarHBondContact O-N 3.48Å; R21-Q24 VanDerWaalsContact O-N 3.17Å; S22-Q24 PolarHBondContact O-N 2.98Å; Q24-L230 VanDerWaalsContact OE1-CD1 3.28Å
25L95.2Very high95.4Very high48 Ų4862.9 Ų62.925%0.25135%0.348SS..Hα-helixtrans-83.3-21179.2-62-177.7000112.4R21 S22 D27 Q225 Y226R21-L25 HydrophobicContact CG-CD1 4.15Å; R21-L25 HydrophobicContact CG-CG 4.46Å; R21-L25 WeakPolarHBondContact O-CG 3.37Å; R21-L25 PolarHBondContact O-N 3.45Å; R21-L25 VanDerWaalsContact O-N 3.09Å; S22-L25 CarbonylContact O-C 3.56Å; S22-L25 PolarHBondContact O-N 3.37Å; L25-D27 HydrophobicContact CB-CB 4.32Å; L25-D27 PolarHBondContact O-N 2.9Å; L25-Q225 HydrophobicContact CD1-CB 4.13Å; L25-Q225 HydrophobicContact CD2-CB 3.81Å; L25-Y226 HydrophobicContact CD1-CD1 4.47Å; L25-Y226 HydrophobicContact CD1-CD2 3.61Å; L25-Y226 HydrophobicContact CD1-CE1 4.27Å; L25-Y226 HydrophobicContact CD1-CE2 3.36Å; L25-Y226 HydrophobicContact CD1-CG 4.17Å
26G95.4Very high94.6Very high68 Ų6867.4 Ų67.470%0.70140%0.395SS*.THydrogen-bonded Turntrans63.928.3-17400000113.1S22S22-G26 PolarHBondContact O-N 3.2Å
27D95.1Very high93.9Very high32 Ų3264.2 Ų64.217%0.17139%0.386CS..  trans-94.510.1-172.879.1-36000114.2S22 L25 K44 Y226S22-D27 VanDerWaalsContact CA-OD1 3.25Å; S22-D27 WeakPolarHBondContact CA-OD1 3.29Å; S22-D27 VanDerWaalsContact CB-OD1 3.24Å; S22-D27 WeakPolarHBondContact CB-OD1 3.46Å; S22-D27 PolarHBondContact OG-OD1 2.89Å; L25-D27 HydrophobicContact CB-CB 4.32Å; L25-D27 PolarHBondContact O-N 2.9Å; D27-K44 WeakPolarHBondContact O-CE 3.49Å; D27-K44 PolarHBondContact O-NZ 2.83Å; D27-K44 VanDerWaalsContact O-NZ 3.08Å; D27-K44 IonicContact OD2-NZ 3.6Å; D27-K44 PolarHBondContact OD2-NZ 2.97Å; D27-Y226 PolarHBondContact OD1-OH 2.97Å; D27-Y226 WeakPolarHBondContact OD2-CE2 3.39Å; D27-Y226 PolarHBondContact OD2-OH 3.35Å
28G96.1Very high93.2Very high49 Ų4967.1 Ų67.151%0.50540%0.397SS..  trans80.122.216100000116.5
29W98.2Very high92.7Very high14 Ų1471.5 Ų71.55%0.05342%0.417CS..  trans-72.1144.8165.4-70.195.4000110.6L18 L19 S22 L42 R43 K44 I118 L211 L220 Y226L18-W29 HydrophobicContact CD2-CB 3.98Å; L18-W29 HydrophobicContact CD2-CD2 3.92Å; L18-W29 HydrophobicContact CD2-CG 3.65Å; L19-W29 HydrophobicContact CD2-CB 3.85Å; S22-W29 VanDerWaalsContact OG-CB 3.27Å; S22-W29 WeakPolarHBondContact OG-CB 3.43Å; S22-W29 PolarHBondContact OG-N 3.49Å; W29-L42 HydrophobicContact CE3-CB 3.97Å; W29-L42 HydrophobicContact CZ3-CB 4.01Å; W29-R43 WeakPolarHBondContact CA-O 3.42Å; W29-K44 HydrophobicContact CD2-CB 3.79Å; W29-K44 HydrophobicContact CD2-CD 3.74Å; W29-K44 HydrophobicContact CD2-CG 4.37Å; W29-K44 HydrophobicContact CE3-CB 3.58Å; W29-K44 HydrophobicContact CE3-CD 4.38Å; W29-K44 HydrophobicContact CG-CD 4.1Å; W29-K44 HydrophobicContact CH2-CB 3.73Å; W29-K44 HydrophobicContact CH2-CD 4.14Å; W29-K44 HydrophobicContact CZ2-CB 3.95Å; W29-K44 HydrophobicContact CZ2-CD 3.46Å; W29-K44 VanDerWaalsContact CZ2-CD 3.46Å; W29-K44 HydrophobicContact CZ2-CG 4.33Å; W29-K44 HydrophobicContact CZ3-CB 3.56Å; W29-I118 HydrophobicContact CH2-CD1 3.58Å; W29-I118 HydrophobicContact CH2-CG1 4.41Å; W29-I118 HydrophobicContact CZ3-CD1 3.69Å; W29-I118 HydrophobicContact CZ3-CG1 4.35Å; W29-L211 HydrophobicContact CH2-CD2 3.96Å; W29-L211 HydrophobicContact CZ2-CD2 3.57Å; W29-L220 HydrophobicContact CH2-CD2 3.88Å; W29-L220 HydrophobicContact CZ2-CD1 4.25Å; W29-L220 HydrophobicContact CZ2-CD2 4.05Å; W29-Y226 VanDerWaalsContact CD1-OH 3.22Å
30S98Very high92.6Very high44 Ų4470.8 Ų70.831%0.30842%0.416SS..EExtended strand (participates in β ladder)trans-143.1157.817652.80000110.6L42 R43S30-L42 CarbonylContact O-C 3.6Å; S30-L42 WeakPolarHBondContact O-CA 3.44Å; S30-R43 PolarHBondContact N-O 3.08Å; S30-R43 PolarHBondContact O-N 3.18Å; S30-R43 PolarHBondContact OG-O 3.07Å
31W97.6Very high92.7Very high86 Ų8666.1 Ų66.133%0.32639%0.394SS..EExtended strand (participates in β ladder)trans-98.5125.7168.7-177.4-98.8000109.5F11 R12 C15 L19 G40 L42F11-W31 HydrophobicContact CE1-CH2 4.15Å; F11-W31 HydrophobicContact CE1-CZ3 4.15Å; R12-W31 HydrophobicContact CG-CH2 4.4Å; C15-W31 HydrophobicContact CB-CE3 4.26Å; C15-W31 HydrophobicContact CB-CZ3 4Å; L19-W31 HydrophobicContact CD1-CB 3.73Å; W31-G40 VanDerWaalsContact CH2-C 3.4Å; W31-G40 WeakPolarHBondContact CH2-O 3.34Å; W31-L42 HydrophobicContact CE3-CD2 4.17Å; W31-L42 HydrophobicContact CE3-CG 4.27Å; W31-L42 HydrophobicContact CZ3-CG 4.47Å
32E97Very high92.9Very high60 Ų6064.3 Ų64.328%0.2839%0.387SS..EExtended strand (participates in β ladder)trans-103113.4172.9-64.2-72.1-174.100108.5G40 Y41 R43E32-G40 CarbonylContact O-C 3.53Å; E32-G40 WeakPolarHBondContact O-CA 3.18Å; E32-Y41 HydrophobicContact CB-CD1 4.14Å; E32-Y41 HydrophobicContact CB-CD2 4.11Å; E32-Y41 HydrophobicContact CB-CE1 3.72Å; E32-Y41 HydrophobicContact CB-CE2 3.65Å; E32-Y41 HydrophobicContact CB-CG 4.34Å; E32-Y41 VanDerWaalsContact CB-CZ 3.44Å; E32-Y41 HydrophobicContact CG-CD2 4.43Å; E32-Y41 HydrophobicContact CG-CE2 3.75Å; E32-Y41 PolarHBondContact N-O 2.97Å; E32-Y41 PolarHBondContact O-N 3.09Å; E32-R43 HydrophobicContact CG-CB 3.77Å; E32-R43 HydrophobicContact CG-CG 4.38Å; E32-R43 VanDerWaalsContact OE1-CD 3.28Å; E32-R43 WeakPolarHBondContact OE1-CD 3.33Å; E32-R43 IonicContact OE1-CZ 2.85Å; E32-R43 IonicContact OE1-NE 2.79Å; E32-R43 IonicContact OE1-NH1 3.21Å; E32-R43 PolarHBondContact OE1-NH1 2.85Å
33A93.7Very high92.9Very high66 Ų6667.8 Ų67.855%0.54540%0.4SS..EExtended strand (participates in β ladder)trans-88.6140.7177.200000110.7
34V89.2Confident93Very high43 Ų4362.8 Ų62.826%0.26137%0.372SS..PPolyproline II helixtrans-78.7130.4171.5-179.10000108.8G36 S37 E39 L173V34-G36 PolarHBondContact O-N 3.11Å; V34-G36 VanDerWaalsContact O-N 3.16Å; V34-S37 PolarHBondContact O-N 3.2Å; V34-S37 VanDerWaalsContact O-N 3.09Å; V34-E39 HydrophobicContact CG2-CB 4.41Å; V34-E39 PolarHBondContact N-O 2.9Å; V34-L173 HydrophobicContact CG2-CB 3.93Å; V34-L173 HydrophobicContact CG2-CD1 3.74Å; V34-L173 HydrophobicContact CG2-CD2 4.12Å; V34-L173 HydrophobicContact CG2-CG 4.12Å
35Q85.2Confident93.2Very high197 Ų19760.8 Ų60.892%0.92137%0.367SS*.THydrogen-bonded Turntrans-58.2123.2-178.7-72.8-175.7-2.800111.1S37Q35-S37 VanDerWaalsContact C-N 3.34Å
36G80.5Confident93.2Very high96 Ų9659.7 Ų59.799%0.9937%0.365SS*.THydrogen-bonded Turntrans78.512178.300000115.2V34V34-G36 PolarHBondContact O-N 3.11Å; V34-G36 VanDerWaalsContact O-N 3.16Å
37S83Confident93.2Very high53 Ų5362 Ų6237%0.37136%0.36SS..SBendtrans-129.6159175.5-174.10000111.6V34 Q35 E39V34-S37 PolarHBondContact O-N 3.2Å; V34-S37 VanDerWaalsContact O-N 3.09Å; Q35-S37 VanDerWaalsContact C-N 3.34Å; S37-E39 WeakPolarHBondContact OG-CB 3.36Å; S37-E39 WeakPolarHBondContact OG-CG 3.4Å; S37-E39 PolarHBondContact OG-N 3.49Å
38E80.3Confident93.1Very high142 Ų14262.3 Ų62.366%0.66436%0.359SS*.SBendtrans-79.5-7.9165-63.9-160.6171.200112.4R12R12-E38 IonicContact CZ-OE2 3.96Å; R12-E38 IonicContact NH1-OE2 3.43Å; R12-E38 PolarHBondContact NH1-OE2 3.02Å; R12-E38 IonicContact NH2-OE2 2.72Å; R12-E38 PolarHBondContact NH2-OE2 3.16Å
39E88.1Confident92.8Very high93 Ų9363.8 Ų63.844%0.43536%0.362SS..  trans-70.4151.7177.5-67.5174.4-168.300111.8V34 S37 L173V34-E39 HydrophobicContact CG2-CB 4.41Å; V34-E39 PolarHBondContact N-O 2.9Å; S37-E39 WeakPolarHBondContact OG-CB 3.36Å; S37-E39 WeakPolarHBondContact OG-CG 3.4Å; S37-E39 PolarHBondContact OG-N 3.49Å; E39-L173 VanDerWaalsContact OE2-CD2 3.28Å; E39-L173 WeakPolarHBondContact OE2-CD2 3.45Å
40G94.8Very high92.3Very high9 Ų963.4 Ų63.49%0.09336%0.361CS..EExtended strand (participates in β ladder)trans-178.7-173.3176.600000111.3W31 E32W31-G40 VanDerWaalsContact CH2-C 3.4Å; W31-G40 WeakPolarHBondContact CH2-O 3.34Å; E32-G40 CarbonylContact O-C 3.53Å; E32-G40 WeakPolarHBondContact O-CA 3.18Å
41Y97.5Very high91.7Very high17 Ų1763.3 Ų63.37%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-149.4153.5-176.859.2-87.5000111.3E32 R43 H117 I118 H171 L173E32-Y41 HydrophobicContact CB-CD1 4.14Å; E32-Y41 HydrophobicContact CB-CD2 4.11Å; E32-Y41 HydrophobicContact CB-CE1 3.72Å; E32-Y41 HydrophobicContact CB-CE2 3.65Å; E32-Y41 HydrophobicContact CB-CG 4.34Å; E32-Y41 VanDerWaalsContact CB-CZ 3.44Å; E32-Y41 HydrophobicContact CG-CD2 4.43Å; E32-Y41 HydrophobicContact CG-CE2 3.75Å; E32-Y41 PolarHBondContact N-O 2.97Å; E32-Y41 PolarHBondContact O-N 3.09Å; Y41-R43 HydrophobicContact CD2-CB 4.29Å; Y41-R43 HydrophobicContact CE2-CB 4.06Å; Y41-H117 HydrophobicContact CD2-CB 3.75Å; Y41-H117 AromaticContact CD2-CD2 3.96Å; Y41-H117 AromaticContact CD2-CG 3.58Å; Y41-H117 AromaticContact CD2-ND1 3.78Å; Y41-H117 HydrophobicContact CE2-CB 4.17Å; Y41-H117 AromaticContact CE2-CD2 3.58Å; Y41-H117 AromaticContact CE2-CE1 3.39Å; Y41-H117 WeakPolarHBondContact CE2-CE1 3.44Å; Y41-H117 AromaticContact CE2-CG 3.46Å; Y41-H117 VanDerWaalsContact CE2-CG 3.46Å; Y41-H117 AromaticContact CE2-ND1 3.32Å; Y41-H117 VanDerWaalsContact CE2-ND1 3.32Å; Y41-H117 WeakPolarHBondContact CE2-ND1 3.31Å; Y41-H117 AromaticContact CE2-NE2 3.56Å; Y41-H117 AromaticContact CZ-CE1 3.78Å; Y41-H117 AromaticContact CZ-ND1 3.85Å; Y41-I118 WeakPolarHBondContact CA-O 3.32Å; Y41-I118 WeakPolarHBondContact CB-O 3.13Å; Y41-H171 AromaticContact CE1-CE1 3.97Å; Y41-L173 HydrophobicContact CD1-CD1 3.75Å; Y41-L173 HydrophobicContact CE1-CD1 4.48Å
42L98.3Very high90.7Very high0 Ų061.9 Ų61.90%036%0.363CS..EExtended strand (participates in β ladder)trans-76.3136.5167.7-72.6171.8000109.2C15 L18 L19 W29 S30 W31 H117 I118 V207C15-L42 HydrophobicContact CB-CD1 3.94Å; C15-L42 HydrophobicContact CB-CD2 4.02Å; C15-L42 HydrophobicContact CB-CG 3.94Å; C15-L42 VanDerWaalsContact SG-CD1 3.52Å; L18-L42 HydrophobicContact CD1-CD1 4.12Å; L18-L42 HydrophobicContact CD2-CD1 4.33Å; L19-L42 HydrophobicContact CD1-CD2 3.74Å; L19-L42 HydrophobicContact CD2-CD2 3.68Å; L19-L42 HydrophobicContact CG-CD2 3.63Å; W29-L42 HydrophobicContact CE3-CB 3.97Å; W29-L42 HydrophobicContact CZ3-CB 4.01Å; S30-L42 CarbonylContact O-C 3.6Å; S30-L42 WeakPolarHBondContact O-CA 3.44Å; W31-L42 HydrophobicContact CE3-CD2 4.17Å; W31-L42 HydrophobicContact CE3-CG 4.27Å; W31-L42 HydrophobicContact CZ3-CG 4.47Å; L42-H117 CarbonylContact O-C 3.52Å; L42-H117 WeakPolarHBondContact O-CA 3.46Å; L42-I118 HydrophobicContact CB-CB 4.13Å; L42-I118 HydrophobicContact CB-CD1 4.41Å; L42-I118 HydrophobicContact CD1-CD1 4.2Å; L42-I118 PolarHBondContact N-O 3.49Å; L42-I118 PolarHBondContact O-N 3.16Å; L42-V207 HydrophobicContact CD1-CG1 4.14Å
43R98.4Very high89.8Confident75 Ų7565.2 Ų65.228%0.28338%0.382SS..EExtended strand (participates in β ladder)trans-122.8139177-177.4175.1-176.9-146.20.1111W29 S30 E32 Y41 E115 Y116W29-R43 WeakPolarHBondContact CA-O 3.42Å; S30-R43 PolarHBondContact N-O 3.08Å; S30-R43 PolarHBondContact O-N 3.18Å; S30-R43 PolarHBondContact OG-O 3.07Å; E32-R43 HydrophobicContact CG-CB 3.77Å; E32-R43 HydrophobicContact CG-CG 4.38Å; E32-R43 VanDerWaalsContact OE1-CD 3.28Å; E32-R43 WeakPolarHBondContact OE1-CD 3.33Å; E32-R43 IonicContact OE1-CZ 2.85Å; E32-R43 IonicContact OE1-NE 2.79Å; E32-R43 IonicContact OE1-NH1 3.21Å; E32-R43 PolarHBondContact OE1-NH1 2.85Å; Y41-R43 HydrophobicContact CD2-CB 4.29Å; Y41-R43 HydrophobicContact CE2-CB 4.06Å; R43-E115 IonicContact CZ-OE1 3.5Å; R43-E115 IonicContact NE-OE1 3.8Å; R43-E115 PolarHBondContact NE-OE1 3.5Å; R43-E115 IonicContact NH2-OE1 2.84Å; R43-E115 PolarHBondContact NH2-OE1 3.42Å; R43-Y116 CarbonylContact C-O 3.49Å; R43-Y116 WeakPolarHBondContact CA-O 3.45Å
44K98.1Very high89.2Confident20 Ų2064.3 Ų64.39%0.08737%0.365CS..EExtended strand (participates in β ladder)trans-141.4139.7168.8179.7156.4-176161.10111.2D27 W29 E115 Y116 L220D27-K44 WeakPolarHBondContact O-CE 3.49Å; D27-K44 PolarHBondContact O-NZ 2.83Å; D27-K44 VanDerWaalsContact O-NZ 3.08Å; D27-K44 IonicContact OD2-NZ 3.6Å; D27-K44 PolarHBondContact OD2-NZ 2.97Å; W29-K44 HydrophobicContact CD2-CB 3.79Å; W29-K44 HydrophobicContact CD2-CD 3.74Å; W29-K44 HydrophobicContact CD2-CG 4.37Å; W29-K44 HydrophobicContact CE3-CB 3.58Å; W29-K44 HydrophobicContact CE3-CD 4.38Å; W29-K44 HydrophobicContact CG-CD 4.1Å; W29-K44 HydrophobicContact CH2-CB 3.73Å; W29-K44 HydrophobicContact CH2-CD 4.14Å; W29-K44 HydrophobicContact CZ2-CB 3.95Å; W29-K44 HydrophobicContact CZ2-CD 3.46Å; W29-K44 VanDerWaalsContact CZ2-CD 3.46Å; W29-K44 HydrophobicContact CZ2-CG 4.33Å; W29-K44 HydrophobicContact CZ3-CB 3.56Å; K44-E115 CarbonylContact O-C 3.56Å; K44-E115 WeakPolarHBondContact O-CA 3.33Å; K44-Y116 PolarHBondContact N-O 2.9Å; K44-Y116 PolarHBondContact O-N 3.05Å; K44-L220 HydrophobicContact CD-CD1 4.12Å
45T97.4Very high87.9Confident64 Ų6463.5 Ų63.539%0.39337%0.365SS..EExtended strand (participates in β ladder)trans-112.7137.9169.6-56.10000109.4Q113 Y114T45-Q113 HydrophobicContact CG2-CG 3.7Å; T45-Y114 CarbonylContact C-O 3.57Å; T45-Y114 WeakPolarHBondContact CA-O 3.28Å; T45-Y114 VanDerWaalsContact CG2-O 3.29Å; T45-Y114 WeakPolarHBondContact CG2-O 3.39Å
46A95.8Very high86.7Confident26 Ų2659.1 Ų59.122%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-143.8139.4178.400000111.2Y114 Y116A46-Y114 PolarHBondContact N-O 3.05Å; A46-Y114 PolarHBondContact O-N 2.96Å; A46-Y116 HydrophobicContact CB-CE2 4.32Å
47L95.2Very high85.5Confident115 Ų11558 Ų5860%0.60233%0.325SS*.EExtended strand (participates in β ladder)trans-87.5133.8167-69.9170.1000108.9V111 V112 Q113 L136L47-V111 HydrophobicContact CB-CG1 4.49Å; L47-V111 HydrophobicContact CD2-CG1 4.27Å; L47-V112 WeakPolarHBondContact CA-O 3.45Å; L47-Q113 HydrophobicContact CD2-CB 3.77Å; L47-Q113 HydrophobicContact CD2-CG 4.17Å; L47-L136 HydrophobicContact CD2-CD2 3.91Å
48R92.3Very high84.1Confident39 Ų3964 Ų6415%0.14735%0.347CS..EExtended strand (participates in β ladder)trans-130.3132-179.2-66.8-174.861.5-113.5-5.8110.5V111 V112 Y114 G219R48-V111 CarbonylContact O-C 3.57Å; R48-V111 WeakPolarHBondContact O-CA 3.19Å; R48-V112 PolarHBondContact N-O 2.99Å; R48-V112 PolarHBondContact O-N 3.48Å; R48-Y114 HydrophobicContact CB-CD2 4.1Å; R48-Y114 HydrophobicContact CB-CE2 4Å; R48-Y114 HydrophobicContact CG-CD2 3.93Å; R48-Y114 HydrophobicContact CG-CE2 4.18Å; R48-Y114 VanDerWaalsContact NH1-CE2 3.3Å; R48-Y114 VanDerWaalsContact NH1-CZ 3.26Å; R48-Y114 PolarHBondContact NH1-OH 2.79Å; R48-G219 WeakPolarHBondContact CD-O 3.18Å; R48-G219 PolarHBondContact NE-O 2.81Å
49S90.7Very high82.4Confident81 Ų8164.4 Ų64.457%0.56635%0.353SS*.EExtended strand (participates in β ladder)trans-86.4119.4167.3-600000109L110S49-L110 CarbonylContact C-O 3.54Å; S49-L110 WeakPolarHBondContact CA-O 3.02Å
50V87.6Confident80.2Confident6 Ų668.6 Ų68.64%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-98.7119.7175.8-178.60000107.9S52 W54 S109 L110 V112 T149V50-S52 PolarHBondContact O-N 3.18Å; V50-W54 HydrophobicContact CG1-CE3 3.93Å; V50-W54 HydrophobicContact CG1-CZ3 4.37Å; V50-S109 CarbonylContact O-C 3.56Å; V50-S109 WeakPolarHBondContact O-CA 3.41Å; V50-L110 HydrophobicContact CB-CB 4.41Å; V50-L110 PolarHBondContact N-O 3.07Å; V50-L110 PolarHBondContact O-N 3.09Å; V50-V112 HydrophobicContact CG2-CG2 4.11Å; V50-T149 HydrophobicContact CG2-CG2 4.04Å
51P85.2Confident77.5Confident41 Ų4177.4 Ų77.427%0.26641%0.412SS..PPolyproline II helixtrans-60.1135.2174.7-25.436.6000111.7D53 W54P51-D53 WeakPolarHBondContact CB-OD1 3.32Å; P51-D53 PolarHBondContact O-N 2.92Å; P51-W54 HydrophobicContact CB-CD2 4.36Å; P51-W54 HydrophobicContact CB-CG 4.27Å; P51-W54 HydrophobicContact CG-CD2 4.2Å; P51-W54 HydrophobicContact CG-CH2 4.41Å; P51-W54 HydrophobicContact CG-CZ2 3.72Å; P51-W54 PolarHBondContact O-N 3.29Å
52S77Confident74.7Confident57 Ų5779.2 Ų79.240%0.39944%0.436SS..G310 helixtrans-67.8-23-177.2-21.30000112.8V50 W54 S108V50-S52 PolarHBondContact O-N 3.18Å; S52-W54 VanDerWaalsContact C-N 3.27Å; S52-W54 PolarHBondContact O-N 3.49Å; S52-S108 PolarHBondContact OG-N 3.48Å; S52-S108 PolarHBondContact OG-O 3.07Å
53D78.7Confident71.6Confident129 Ų12988.6 Ų88.669%0.6948%0.476SS*.G310 helixtrans-76.8-9.9-178.865.4-37.1000113.3P51 G55P51-D53 WeakPolarHBondContact CB-OD1 3.32Å; P51-D53 PolarHBondContact O-N 2.92Å; D53-G55 PolarHBondContact O-N 3.08Å
54W80.4Confident68.4Low48 Ų4890.8 Ų90.818%0.18250%0.503CS..G310 helixtrans-68.5-18.5175.7-70.75.4000113.1V50 P51 S52 T149 H151 P152 R155V50-W54 HydrophobicContact CG1-CE3 3.93Å; V50-W54 HydrophobicContact CG1-CZ3 4.37Å; P51-W54 HydrophobicContact CB-CD2 4.36Å; P51-W54 HydrophobicContact CB-CG 4.27Å; P51-W54 HydrophobicContact CG-CD2 4.2Å; P51-W54 HydrophobicContact CG-CH2 4.41Å; P51-W54 HydrophobicContact CG-CZ2 3.72Å; P51-W54 PolarHBondContact O-N 3.29Å; S52-W54 VanDerWaalsContact C-N 3.27Å; S52-W54 PolarHBondContact O-N 3.49Å; W54-T149 WeakPolarHBondContact CZ3-O 3.21Å; W54-H151 AromaticContact CE2-CD2 3.9Å; W54-H151 HydrophobicContact CH2-CB 4.06Å; W54-H151 AromaticContact CH2-CD2 3.94Å; W54-H151 HydrophobicContact CZ2-CB 4.32Å; W54-H151 AromaticContact CZ2-CD2 3.42Å; W54-H151 VanDerWaalsContact CZ2-CD2 3.42Å; W54-H151 WeakPolarHBondContact CZ2-CD2 3.37Å; W54-H151 HydrophobicContact CZ3-CB 4.27Å; W54-P152 HydrophobicContact CB-CG 4.31Å; W54-P152 HydrophobicContact CG-CG 4.13Å; W54-R155 PolarHBondContact O-NH1 3.44Å
55G62.5Low65.3Low26 Ų2698.9 Ų98.927%0.26854%0.539SS..  trans57.8169.6170.100000115.8D53 R155D53-G55 PolarHBondContact O-N 3.08Å; G55-R155 PolarHBondContact O-NH1 3.43Å
56P59.5Low62.2Low104 Ų104103.3 Ų103.368%0.67556%0.555SS**SBendtrans-63.9167.4161.91.910.6000110.4H58P56-H58 PolarHBondContact O-N 3.08Å
57L55.8Low59.3Low72 Ų72107.8 Ų107.838%0.37758%0.582SS.*  trans-54.6115.4165.3-68.4175.3000107.9D59 W147 R155L57-D59 PolarHBondContact O-N 2.84Å; L57-W147 HydrophobicContact CD1-CB 4.46Å; L57-R155 HydrophobicContact CD2-CB 4.42Å
58H53.1Low56.4Low181 Ų181110.7 Ų110.784%0.83859%0.592SS**  trans-63.4120.6165.5-103-95000106.5P56 Q60P56-H58 PolarHBondContact O-N 3.08Å; H58-Q60 PolarHBondContact O-N 2.88Å
59D43.7Very low53.7Low150 Ų150114.8 Ų114.880%0.80262%0.622SS**  trans-58.297.1162.3-71.8-34.4000106.4L57 E61L57-D59 PolarHBondContact O-N 2.84Å; D59-E61 PolarHBondContact O-N 2.91Å
60Q42.1Very low51Low180 Ų180119.5 Ų119.584%0.84164%0.64SS**  trans-65.2101152.6-101.4-171.7-10.500104.6H58 G62H58-Q60 PolarHBondContact O-N 2.88Å; Q60-G62 PolarHBondContact O-N 2.85Å
61E39.5Very low48.3Very low195 Ų195124.6 Ų124.691%0.91167%0.674SS**THydrogen-bonded Turntrans-43.4106.3167.5-65.3-170.2142.300108.1D59D59-E61 PolarHBondContact O-N 2.91Å
62G37.2Very low45.6Very low55 Ų55129.9 Ų129.957%0.56770%0.7SS**THydrogen-bonded Turntrans161.3-8.8-17900000119.2Q60Q60-G62 PolarHBondContact O-N 2.85Å
63F34.6Very low43.5Very low196 Ų196132 Ų13286%0.8672%0.715SS**  trans-145.891.1172.2-70.3-75.1000112.3F65F63-F65 PolarHBondContact O-N 3.19Å
64S30Very low41.2Very low121 Ų121132.3 Ų132.385%0.84672%0.722SS**  trans-61.4120.9167.8-55.30000110H66S64-H66 PolarHBondContact O-N 2.9Å
65F32.3Very low38.7Very low191 Ų191133.2 Ų133.284%0.83875%0.746SS**  trans-66.997.2169.2-72.9-92.1000109.7F63F63-F65 PolarHBondContact O-N 3.19Å
66H33.7Very low37.2Very low156 Ų156141.2 Ų141.272%0.72278%0.776SS**  trans-109.7118.2157.7-94.8-8.9000109.2S64 Q68S64-H66 PolarHBondContact O-N 2.9Å; H66-Q68 VanDerWaalsContact C-N 3.3Å; H66-Q68 PolarHBondContact O-N 2.76Å
67P35Very low35.8Very low121 Ų121144.5 Ų144.579%0.78678%0.783SS**  trans-66.794167.3-6.821.6000107.5T69P67-T69 PolarHBondContact O-N 3.41Å; P67-T69 VanDerWaalsContact O-N 3.16Å
68Q34.3Very low34.7Very low176 Ų176150.1 Ų150.182%0.82280%0.804SS**  trans-80.897.4170.1-69.4-153.7-5.800108.8H66 L70H66-Q68 VanDerWaalsContact C-N 3.3Å; H66-Q68 PolarHBondContact O-N 2.76Å; Q68-L70 PolarHBondContact O-N 3.37Å
69T34.7Very low33.7Very low125 Ų125149.7 Ų149.777%0.76780%0.802SS**  trans-52.9114.7153.640.90000108.9P67 C71P67-T69 PolarHBondContact O-N 3.41Å; P67-T69 VanDerWaalsContact O-N 3.16Å; T69-C71 PolarHBondContact O-N 2.84Å; T69-C71 VanDerWaalsContact O-N 3.13Å
70L34.7Very low33Very low179 Ų179150.4 Ų150.494%0.93780%0.801SS**  trans-65.9104.9168.4-172.380.1000108.6Q68Q68-L70 PolarHBondContact O-N 3.37Å
71C30.7Very low32.4Very low113 Ų113150.5 Ų150.576%0.76480%0.801SS**  trans-140119.1156.761.10000110.1T69T69-C71 PolarHBondContact O-N 2.84Å; T69-C71 VanDerWaalsContact O-N 3.13Å
72D29Very low32.1Very low152 Ų152148.6 Ų148.681%0.81380%0.797SS**  trans-68.7137.4178.3-165.810.8000111.2
73S33Very low32.9Very low101 Ų101151.6 Ų151.671%0.70681%0.807SS**  trans168.1115.9139.3-74.50000113
74T29.4Very low32.7Very low136 Ų136147.2 Ų147.283%0.83481%0.807SS**  trans57.7107.814049.20000121.4
75G27.2Very low32.8Very low67 Ų67146.1 Ų146.169%0.69181%0.805SS**  77.1109.2119.100000119.4
76H31.4Very low33.1Very low194 Ų194143.1 Ų143.190%0.89881%0.808SS**  -176.7149.9116.4-101.987.3000112.1
77E31.4Very low33Very low174 Ų174141.9 Ų141.981%0.81381%0.811SS**  trans-81.9155.7-173.2-53.6162.1147.700112.7
78K32.3Very low32.8Very low190 Ų190139.2 Ų139.283%0.82681%0.805SS**  trans163108.9142.1-91.5168.9-177.7-168.90109.9
79E31.3Very low33Very low171 Ų171136.2 Ų136.280%0.79980%0.804SS**  85.7108.185.6-89.2-176.3163.400114.8
80E29.1Very low32.9Very low166 Ų166137.6 Ų137.678%0.77681%0.807SS**  trans31.6127.4140.4-70.1-171154.100122.5
81Q29.7Very low32.9Very low181 Ų181138 Ų13885%0.84680%0.801SS**  175.7128.7102.7-106.2157.738.700113.5
82D32.2Very low33.3Very low156 Ų156139.9 Ų139.983%0.83480%0.803SS**  trans-76.2-170.3163.3-90-30.2000111.5
83P54.5Low33.7Very low117 Ų117144.5 Ų144.576%0.7681%0.809SS**  -135.1177.8-5137.7-21.4000111.5
84A31.2Very low34.1Very low105 Ų105143.9 Ų143.987%0.86881%0.81SS**  trans-177.8134140.100000115.6
85A32.3Very low34.7Very low98 Ų98146.4 Ų146.481%0.8181%0.812SS**  trans-33.5150.7169.300000120.5
86S37.4Very low35.7Very low127 Ų127152.1 Ų152.189%0.88882%0.821SS**  trans-151.8153.6135.1-166.90000112
87T32.4Very low36.2Very low131 Ų131152 Ų15280%0.80482%0.821SS**  trans-108.1134.6-153.2-67.10000112
88G31.3Very low37.5Very low64 Ų64151.2 Ų151.266%0.6682%0.823SS**  81.2151.9128.900000121.5
89S37.8Very low38.1Very low114 Ų114149.2 Ų149.280%0.79782%0.821SS**  trans89.4139.6167.476.40000116.6
90D33.2Very low39.1Very low154 Ų154144.1 Ų144.182%0.82482%0.815SS**  cis-164.3165-19.6-119-30.1000108.1
91F34.1Very low39.9Very low186 Ų186140.2 Ų140.282%0.81681%0.805SS**  trans-55.6138.3179.4-94.7-119.5000116.4
92L39.6Very low40.6Very low154 Ų154137.6 Ų137.681%0.80681%0.806SS**  trans25.8120.5138.6-53175.2000119.9
93R37.2Very low41.2Very low248 Ų248135.1 Ų135.194%0.93680%0.797SS**  trans-149.2123.8138.3-114175.6-178.3174.9-0.9111.5
94A40.8Very low40.7Very low88 Ų88132.8 Ų132.873%0.72779%0.793SS**  trans-80.113617100000109.6
95E42.5Very low41.5Very low189 Ų189133.7 Ų133.788%0.88379%0.788SS**  trans-135.3112.6151.9-67.4-170.7149.500106.9
96E48.4Very low42.2Very low187 Ų187136.5 Ų136.587%0.87479%0.79SS**  trans-79.1117171.1-63.2175171.400107.2
97E41.9Very low43.2Very low192 Ų192134.6 Ų134.690%0.89778%0.776SS**  trans-117.895.6161.2-74.5-16615900108.6D99E97-D99 PolarHBondContact O-N 2.8Å
98D58.8Low45Very low158 Ų158132.9 Ų132.985%0.84577%0.77SS**  trans-68.297164.6173.837.2000109.2
99D44Very low47.3Very low147 Ų147132.8 Ų132.879%0.78676%0.759SS**  trans-11484.5159.1-17321000108.5E97 S101E97-D99 PolarHBondContact O-N 2.8Å; D99-S101 PolarHBondContact O-N 2.98Å
100G51.7Low49.6Very low65 Ų65131.4 Ų131.467%0.6774%0.742SS**  trans-63.875.6172.400000112.4
101S45.8Very low52.4Low83 Ų83126.3 Ų126.358%0.5872%0.717SS**  trans-93.696158.3-174.60000108.3D99 T103D99-S101 PolarHBondContact O-N 2.98Å; S101-T103 PolarHBondContact O-N 3.46Å
102C45Very low55.3Low127 Ų127117.5 Ų117.586%0.85868%0.678SS**  trans-70.173.1168.255.30000109.7G104C102-G104 VanDerWaalsContact C-N 3.28Å; C102-G104 PolarHBondContact O-N 3Å
103T44.6Very low58Low104 Ų104113.8 Ų113.864%0.63866%0.657SS**  trans-62.8102.9154.357.20000105.2S101 T105S101-T103 PolarHBondContact O-N 3.46Å; T103-T105 PolarHBondContact O-N 3.49Å
104G45.3Very low60.9Low67 Ų67102.1 Ų102.169%0.69161%0.612SS**  trans-54.496.9167.700000107.2C102 N106C102-G104 VanDerWaalsContact C-N 3.28Å; C102-G104 PolarHBondContact O-N 3Å; G104-N106 PolarHBondContact O-N 3.19Å
105T46.2Very low63.6Low124 Ų12498.4 Ų98.476%0.76158%0.58SS**  trans-61102164.627.20000103.6T103 S107T103-T105 PolarHBondContact O-N 3.49Å; T105-S107 PolarHBondContact O-N 2.97Å
106N47.4Very low66.2Low157 Ų15789.5 Ų89.584%0.8454%0.538SS*.  trans-56.990.4162.7-85.2-2000105.3G104 S108G104-N106 PolarHBondContact O-N 3.19Å; N106-S108 PolarHBondContact O-N 2.85Å
107S58.7Low68.6Low87 Ų8780.6 Ų80.661%0.60850%0.497SS*.  trans-66.287172.546.50000106.4T105 S109T105-S107 PolarHBondContact O-N 2.97Å; S107-S109 VanDerWaalsContact C-N 3.35Å; S107-S109 PolarHBondContact O-N 3.15Å
108S71.3Confident71.3Confident95 Ų9571.4 Ų71.466%0.66445%0.454SS*.  trans-67.693.9-17658.90000108.6S52 N106 L110S52-S108 PolarHBondContact OG-N 3.48Å; S52-S108 PolarHBondContact OG-O 3.07Å; N106-S108 PolarHBondContact O-N 2.85Å; S108-L110 PolarHBondContact O-N 3.16Å
109S79.2Confident73.1Confident63 Ų6364.4 Ų64.444%0.44142%0.416SS..PPolyproline II helixtrans-63.8128177.9-62.30000109.4V50 S107V50-S109 CarbonylContact O-C 3.56Å; V50-S109 WeakPolarHBondContact O-CA 3.41Å; S107-S109 VanDerWaalsContact C-N 3.35Å; S107-S109 PolarHBondContact O-N 3.15Å
110L86.1Confident75.6Confident85 Ų8559.5 Ų59.545%0.44539%0.388SS..EExtended strand (participates in β ladder)trans-77.7126.1176175.268.7000108.5S49 V50 S108 V112S49-L110 CarbonylContact C-O 3.54Å; S49-L110 WeakPolarHBondContact CA-O 3.02Å; V50-L110 HydrophobicContact CB-CB 4.41Å; V50-L110 PolarHBondContact N-O 3.07Å; V50-L110 PolarHBondContact O-N 3.09Å; S108-L110 PolarHBondContact O-N 3.16Å; L110-V112 HydrophobicContact CD2-CG2 3.75Å; L110-V112 HydrophobicContact CG-CG2 3.77Å
111V92.2Very high77.5Confident47 Ų4757.5 Ų57.529%0.28536%0.364SS..EExtended strand (participates in β ladder)trans-94.9126.4173.9-176.20000109.5L47 R48 L136L47-V111 HydrophobicContact CB-CG1 4.49Å; L47-V111 HydrophobicContact CD2-CG1 4.27Å; R48-V111 CarbonylContact O-C 3.57Å; R48-V111 WeakPolarHBondContact O-CA 3.19Å; V111-L136 HydrophobicContact CB-CD1 3.99Å; V111-L136 HydrophobicContact CB-CG 4.27Å; V111-L136 HydrophobicContact CG1-CD1 4.23Å; V111-L136 HydrophobicContact CG1-CD2 4.01Å; V111-L136 HydrophobicContact CG1-CG 4.32Å
112V94.4Very high79.7Confident0 Ų058.5 Ų58.50%037%0.37CS..EExtended strand (participates in β ladder)trans-126135.6-176.6-176.50000109.3L47 R48 V50 L110 Y114 A133 F134 L141 T149L47-V112 WeakPolarHBondContact CA-O 3.45Å; R48-V112 PolarHBondContact N-O 2.99Å; R48-V112 PolarHBondContact O-N 3.48Å; V50-V112 HydrophobicContact CG2-CG2 4.11Å; L110-V112 HydrophobicContact CD2-CG2 3.75Å; L110-V112 HydrophobicContact CG-CG2 3.77Å; V112-Y114 HydrophobicContact CB-CD2 4.4Å; V112-Y114 HydrophobicContact CB-CE2 3.87Å; V112-Y114 HydrophobicContact CG1-CD2 4.06Å; V112-Y114 HydrophobicContact CG1-CE2 3.63Å; V112-A133 HydrophobicContact CG1-CB 3.69Å; V112-F134 CarbonylContact C-O 3.49Å; V112-F134 WeakPolarHBondContact CA-O 3.28Å; V112-F134 WeakPolarHBondContact CG1-O 3.48Å; V112-L141 HydrophobicContact CG1-CD1 3.82Å; V112-L141 HydrophobicContact CG1-CG 4.48Å; V112-L141 HydrophobicContact CG2-CD1 4.45Å; V112-T149 HydrophobicContact CG2-CG2 4.4Å
113Q96.6Very high81.8Confident77 Ų7757.5 Ų57.536%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-91.9118.4171.9-175.2178.1-46.200110.2T45 L47 A133 F134T45-Q113 HydrophobicContact CG2-CG 3.7Å; L47-Q113 HydrophobicContact CD2-CB 3.77Å; L47-Q113 HydrophobicContact CD2-CG 4.17Å; Q113-A133 CarbonylContact O-C 3.01Å; Q113-A133 VanDerWaalsContact O-CA 3.31Å; Q113-A133 WeakPolarHBondContact O-CA 3.32Å; Q113-F134 PolarHBondContact N-O 2.74Å; Q113-F134 PolarHBondContact O-N 2.88Å
114Y97.4Very high83.9Confident2 Ų258 Ų581%0.00836%0.355CS..EExtended strand (participates in β ladder)trans-97.1146.9173.4-75.6-101.4000111.5T45 A46 R48 V112 Y116 F131 R132 A133 M146 T149T45-Y114 CarbonylContact C-O 3.57Å; T45-Y114 WeakPolarHBondContact CA-O 3.28Å; T45-Y114 VanDerWaalsContact CG2-O 3.29Å; T45-Y114 WeakPolarHBondContact CG2-O 3.39Å; A46-Y114 PolarHBondContact N-O 3.05Å; A46-Y114 PolarHBondContact O-N 2.96Å; R48-Y114 HydrophobicContact CB-CD2 4.1Å; R48-Y114 HydrophobicContact CB-CE2 4Å; R48-Y114 HydrophobicContact CG-CD2 3.93Å; R48-Y114 HydrophobicContact CG-CE2 4.18Å; R48-Y114 VanDerWaalsContact NH1-CE2 3.3Å; R48-Y114 VanDerWaalsContact NH1-CZ 3.26Å; R48-Y114 PolarHBondContact NH1-OH 2.79Å; V112-Y114 HydrophobicContact CB-CD2 4.4Å; V112-Y114 HydrophobicContact CB-CE2 3.87Å; V112-Y114 HydrophobicContact CG1-CD2 4.06Å; V112-Y114 HydrophobicContact CG1-CE2 3.63Å; Y114-Y116 VanDerWaalsContact CB-CZ 3.46Å; Y114-Y116 AromaticContact CD1-CE1 3.88Å; Y114-Y116 HydrophobicContact CD1-CE1 3.88Å; Y114-Y116 HydrophobicContact CD1-CE2 4.32Å; Y114-Y116 AromaticContact CD1-CZ 3.57Å; Y114-Y116 VanDerWaalsContact CD1-OH 3.27Å; Y114-Y116 WeakPolarHBondContact CD1-OH 3.35Å; Y114-Y116 HydrophobicContact CG-CE1 4.39Å; Y114-Y116 HydrophobicContact CG-CE2 4Å; Y114-Y116 AromaticContact CG-CZ 3.65Å; Y114-Y116 VanDerWaalsContact CG-OH 3.29Å; Y114-F131 HydrophobicContact CD1-CD2 4.41Å; Y114-F131 HydrophobicContact CE1-CD2 4.41Å; Y114-R132 WeakPolarHBondContact CA-O 3.37Å; Y114-A133 HydrophobicContact CD1-CB 3.95Å; Y114-A133 HydrophobicContact CE1-CB 3.78Å; Y114-A133 HydrophobicContact CE2-CB 4.4Å; Y114-A133 HydrophobicContact CG-CB 4.34Å; Y114-M146 HydrophobicContact CE1-CE 4.18Å; Y114-M146 HydrophobicContact CE1-SD 3.9Å; Y114-T149 WeakPolarHBondContact OH-CB 3.39Å; Y114-T149 PolarHBondContact OH-OG1 2.85Å
115E97.9Very high86.2Confident11 Ų1155 Ų555%0.05133%0.325CS..EExtended strand (participates in β ladder)trans-125.9120.1166.3-179.8172.4-167.800108.3R43 K44 H117 F131 R132R43-E115 IonicContact CZ-OE1 3.5Å; R43-E115 IonicContact NE-OE1 3.8Å; R43-E115 PolarHBondContact NE-OE1 3.5Å; R43-E115 IonicContact NH2-OE1 2.84Å; R43-E115 PolarHBondContact NH2-OE1 3.42Å; K44-E115 CarbonylContact O-C 3.56Å; K44-E115 WeakPolarHBondContact O-CA 3.33Å; E115-H117 WeakPolarHBondContact CG-NE2 3.2Å; E115-H117 IonicContact OE1-CE1 3.88Å; E115-H117 IonicContact OE1-NE2 3.19Å; E115-H117 PolarHBondContact OE1-NE2 2.8Å; E115-F131 CarbonylContact O-C 3.34Å; E115-F131 WeakPolarHBondContact O-CA 3.2Å; E115-R132 HydrophobicContact CB-CG 4.01Å; E115-R132 PolarHBondContact N-O 2.83Å; E115-R132 PolarHBondContact O-N 3Å; E115-R132 IonicContact OE1-NH2 2.83Å; E115-R132 PolarHBondContact OE1-NH2 3.2Å; E115-R132 IonicContact OE2-CZ 3.17Å; E115-R132 IonicContact OE2-NE 2.78Å; E115-R132 PolarHBondContact OE2-NE 2.92Å; E115-R132 IonicContact OE2-NH2 2.85Å; E115-R132 PolarHBondContact OE2-NH2 3.39Å
116Y98.3Very high88.4Confident1 Ų149.3 Ų49.30%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-114.2128.5-175.3-60.2-80.1000110R43 K44 A46 Y114 L129 Y130 F131 V218 L220R43-Y116 CarbonylContact C-O 3.49Å; R43-Y116 WeakPolarHBondContact CA-O 3.45Å; K44-Y116 PolarHBondContact N-O 2.9Å; K44-Y116 PolarHBondContact O-N 3.05Å; A46-Y116 HydrophobicContact CB-CE2 4.32Å; Y114-Y116 VanDerWaalsContact CB-CZ 3.46Å; Y114-Y116 AromaticContact CD1-CE1 3.88Å; Y114-Y116 HydrophobicContact CD1-CE1 3.88Å; Y114-Y116 HydrophobicContact CD1-CE2 4.32Å; Y114-Y116 AromaticContact CD1-CZ 3.57Å; Y114-Y116 VanDerWaalsContact CD1-OH 3.27Å; Y114-Y116 WeakPolarHBondContact CD1-OH 3.35Å; Y114-Y116 HydrophobicContact CG-CE1 4.39Å; Y114-Y116 HydrophobicContact CG-CE2 4Å; Y114-Y116 AromaticContact CG-CZ 3.65Å; Y114-Y116 VanDerWaalsContact CG-OH 3.29Å; Y116-L129 HydrophobicContact CD1-CD1 4.27Å; Y116-Y130 CarbonylContact C-O 3.48Å; Y116-Y130 WeakPolarHBondContact CA-O 3.23Å; Y116-F131 HydrophobicContact CD1-CB 3.61Å; Y116-F131 HydrophobicContact CD1-CG 4.41Å; Y116-F131 HydrophobicContact CE1-CB 4.04Å; Y116-F131 HydrophobicContact CE1-CG 4.49Å; Y116-F131 HydrophobicContact CG-CB 4.47Å; Y116-V218 HydrophobicContact CD1-CG2 4.37Å; Y116-V218 HydrophobicContact CE1-CB 4.39Å; Y116-V218 HydrophobicContact CE1-CG2 3.78Å; Y116-V218 PolarHBondContact OH-O 3.05Å; Y116-L220 HydrophobicContact CD1-CB 4.28Å; Y116-L220 HydrophobicContact CD1-CD2 4.07Å; Y116-L220 HydrophobicContact CD2-CD1 3.92Å; Y116-L220 HydrophobicContact CD2-CD2 4.23Å; Y116-L220 HydrophobicContact CD2-CG 4.46Å; Y116-L220 HydrophobicContact CE1-CB 3.89Å; Y116-L220 HydrophobicContact CE2-CB 4.1Å; Y116-L220 HydrophobicContact CE2-CD1 3.9Å; Y116-L220 HydrophobicContact CE2-CG 4.43Å; Y116-L220 HydrophobicContact CG-CD1 4.46Å; Y116-L220 HydrophobicContact CG-CD2 3.93Å
117H98.3Very high90.7Very high0 Ų041.9 Ų41.90%025%0.25CS..EExtended strand (participates in β ladder)trans-119128.8175.8-62.7-178.3000110Y41 L42 E115 L119 Y130 H171 F178Y41-H117 HydrophobicContact CD2-CB 3.75Å; Y41-H117 AromaticContact CD2-CD2 3.96Å; Y41-H117 AromaticContact CD2-CG 3.58Å; Y41-H117 AromaticContact CD2-ND1 3.78Å; Y41-H117 HydrophobicContact CE2-CB 4.17Å; Y41-H117 AromaticContact CE2-CD2 3.58Å; Y41-H117 AromaticContact CE2-CE1 3.39Å; Y41-H117 WeakPolarHBondContact CE2-CE1 3.44Å; Y41-H117 AromaticContact CE2-CG 3.46Å; Y41-H117 VanDerWaalsContact CE2-CG 3.46Å; Y41-H117 AromaticContact CE2-ND1 3.32Å; Y41-H117 VanDerWaalsContact CE2-ND1 3.32Å; Y41-H117 WeakPolarHBondContact CE2-ND1 3.31Å; Y41-H117 AromaticContact CE2-NE2 3.56Å; Y41-H117 AromaticContact CZ-CE1 3.78Å; Y41-H117 AromaticContact CZ-ND1 3.85Å; L42-H117 CarbonylContact O-C 3.52Å; L42-H117 WeakPolarHBondContact O-CA 3.46Å; E115-H117 WeakPolarHBondContact CG-NE2 3.2Å; E115-H117 IonicContact OE1-CE1 3.88Å; E115-H117 IonicContact OE1-NE2 3.19Å; E115-H117 PolarHBondContact OE1-NE2 2.8Å; H117-L119 HydrophobicContact CB-CD1 3.96Å; H117-Y130 PolarHBondContact N-O 3.26Å; H117-Y130 PolarHBondContact O-N 2.85Å; H117-H171 AromaticContact CE1-NE2 3.99Å; H117-H171 AromaticContact CG-NE2 3.7Å; H117-H171 AromaticContact ND1-CD2 3.32Å; H117-H171 PolarHBondContact ND1-CD2 3.08Å; H117-H171 VanDerWaalsContact ND1-CD2 3.32Å; H117-H171 AromaticContact ND1-CE1 3.91Å; H117-H171 AromaticContact ND1-NE2 2.92Å; H117-H171 PolarHBondContact ND1-NE2 2.79Å; H117-F178 AromaticContact CE1-CE1 3.63Å; H117-F178 AromaticContact CE1-CZ 3.45Å; H117-F178 VanDerWaalsContact CE1-CZ 3.45Å; H117-F178 WeakPolarHBondContact CE1-CZ 3.35Å; H117-F178 AromaticContact CG-CE1 3.97Å; H117-F178 AromaticContact ND1-CE1 3.53Å; H117-F178 AromaticContact ND1-CZ 3.67Å
118I98.1Very high92.4Very high0 Ų038 Ų380%022%0.223CC..EExtended strand (participates in β ladder)trans-110.9118.8174.1-53.6163.3000108.7F11 W29 Y41 L42 P127 V128 L129 V207 W210 L211F11-I118 HydrophobicContact CE2-CG2 4.06Å; F11-I118 HydrophobicContact CZ-CG2 4.27Å; W29-I118 HydrophobicContact CH2-CD1 3.58Å; W29-I118 HydrophobicContact CH2-CG1 4.41Å; W29-I118 HydrophobicContact CZ3-CD1 3.69Å; W29-I118 HydrophobicContact CZ3-CG1 4.35Å; Y41-I118 WeakPolarHBondContact CA-O 3.32Å; Y41-I118 WeakPolarHBondContact CB-O 3.13Å; L42-I118 HydrophobicContact CB-CB 4.13Å; L42-I118 HydrophobicContact CB-CD1 4.41Å; L42-I118 HydrophobicContact CD1-CD1 4.2Å; L42-I118 PolarHBondContact N-O 3.49Å; L42-I118 PolarHBondContact O-N 3.16Å; I118-P127 HydrophobicContact CG2-CB 3.94Å; I118-V128 WeakPolarHBondContact CA-O 3.36Å; I118-L129 HydrophobicContact CG1-CD1 3.86Å; I118-V207 HydrophobicContact CG2-CG1 4.49Å; I118-W210 HydrophobicContact CB-CZ3 4.42Å; I118-W210 HydrophobicContact CD1-CZ3 4.02Å; I118-W210 HydrophobicContact CG1-CH2 4.39Å; I118-W210 HydrophobicContact CG1-CZ3 4.01Å; I118-W210 HydrophobicContact CG2-CE3 4.5Å; I118-W210 HydrophobicContact CG2-CH2 3.87Å; I118-W210 HydrophobicContact CG2-CZ3 3.54Å; I118-L211 HydrophobicContact CD1-CD1 3.68Å; I118-L211 HydrophobicContact CD1-CD2 4Å; I118-L211 HydrophobicContact CD1-CG 4.38Å
119L96.6Very high93.6Very high10 Ų1033.5 Ų33.55%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-114.4156.8-179.1-64.494.4000110.7H117 P127 V128 Y130 P172 L173H117-L119 HydrophobicContact CB-CD1 3.96Å; L119-P127 CarbonylContact O-C 3.56Å; L119-P127 VanDerWaalsContact O-CA 3.3Å; L119-P127 WeakPolarHBondContact O-CA 3.34Å; L119-V128 PolarHBondContact N-O 3.31Å; L119-V128 PolarHBondContact O-N 2.84Å; L119-Y130 HydrophobicContact CD1-CD2 3.36Å; L119-Y130 HydrophobicContact CD1-CE2 3.94Å; L119-Y130 HydrophobicContact CD1-CG 3.98Å; L119-P172 HydrophobicContact CD2-CB 4.48Å; L119-P172 HydrophobicContact CD2-CG 4.32Å; L119-L173 HydrophobicContact CD2-CD1 3.74Å; L119-L173 HydrophobicContact CD2-CG 3.95Å
120F95.6Very high94.5Very high44 Ų4431.2 Ų31.219%0.19317%0.174CC..EExtended strand (participates in β ladder)trans-82.6134165-177.3-113.9000110.3L6 E8 F11 C122L6-F120 WeakPolarHBondContact O-CE2 3.18Å; L6-F120 WeakPolarHBondContact O-CZ 3.3Å; E8-F120 HydrophobicContact CB-CD1 3.75Å; E8-F120 HydrophobicContact CB-CE1 3.67Å; E8-F120 HydrophobicContact CB-CG 4.43Å; E8-F120 HydrophobicContact CB-CZ 4.29Å; E8-F120 HydrophobicContact CG-CD1 3.8Å; E8-F120 HydrophobicContact CG-CE1 4.24Å; E8-F120 HydrophobicContact CG-CG 4.35Å; F11-F120 HydrophobicContact CB-CB 4.42Å; F11-F120 HydrophobicContact CB-CD2 3.79Å; F11-F120 HydrophobicContact CB-CE2 4.43Å; F11-F120 HydrophobicContact CB-CG 4.3Å; F11-F120 HydrophobicContact CD1-CB 3.66Å; F11-F120 HydrophobicContact CD1-CG 4.39Å; F11-F120 HydrophobicContact CD2-CB 4.27Å; F11-F120 HydrophobicContact CD2-CD2 4.24Å; F11-F120 HydrophobicContact CE1-CB 3.89Å; F11-F120 HydrophobicContact CE2-CB 4.49Å; F11-F120 HydrophobicContact CG-CB 3.85Å; F11-F120 AromaticContact CG-CD2 3.95Å; F11-F120 HydrophobicContact CG-CD2 3.95Å; F11-F120 HydrophobicContact CG-CG 4.23Å; F11-F120 HydrophobicContact CZ-CB 4.31Å; F120-C122 HydrophobicContact CE1-CB 4.2Å
121S92.9Very high95Very high23 Ų2327.2 Ų27.216%0.16115%0.152CC..EExtended strand (participates in β ladder)trans-108.8109170.31670000110.8S123 Y124 G125 A126S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.49Å; S121-Y124 PolarHBondContact O-N 3.5Å; S121-Y124 WeakPolarHBondContact OG-CD2 3.44Å; S121-G125 PolarHBondContact O-N 2.85Å; S121-A126 PolarHBondContact N-O 3.47Å; S121-A126 PolarHBondContact O-N 3.25Å
122C91.1Very high95.3Very high105 Ų10527.1 Ų27.171%0.70915%0.147SC*.THydrogen-bonded Turntrans-59.2-38.7177.459.50000112.9F120 Y124 G125F120-C122 HydrophobicContact CE1-CB 4.2Å; C122-Y124 PolarHBondContact O-N 3.14Å; C122-G125 PolarHBondContact O-N 3.02Å
123S90.2Very high95.3Very high105 Ų10527.1 Ų27.173%0.73415%0.147SC*.THydrogen-bonded Turntrans-64-24.8-180-54.90000113.9S121S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.49Å
124Y89.2Confident95.3Very high114 Ų11425.4 Ų25.445%0.44714%0.138SC..THydrogen-bonded Turntrans-112.6-11.5-177.8-71.6-82.4000112.7S121 C122 A126 H182 P183 C184S121-Y124 PolarHBondContact O-N 3.5Å; S121-Y124 WeakPolarHBondContact OG-CD2 3.44Å; C122-Y124 PolarHBondContact O-N 3.14Å; Y124-A126 VanDerWaalsContact C-N 3.26Å; Y124-A126 PolarHBondContact O-N 3.3Å; Y124-H182 AromaticContact CZ-CE1 3.64Å; Y124-H182 AromaticContact CZ-NE2 3.93Å; Y124-H182 PolarHBondContact OH-CE1 3.13Å; Y124-H182 PolarHBondContact OH-NE2 3.44Å; Y124-P183 HydrophobicContact CD1-CG 4.09Å; Y124-P183 HydrophobicContact CD2-CG 3.42Å; Y124-P183 VanDerWaalsContact CD2-CG 3.42Å; Y124-P183 HydrophobicContact CE1-CG 4.4Å; Y124-P183 HydrophobicContact CE2-CG 3.76Å; Y124-P183 HydrophobicContact CG-CB 4.31Å; Y124-P183 HydrophobicContact CG-CG 3.62Å; Y124-C184 HydrophobicContact CE1-CB 4.5Å
125G92.5Very high95.1Very high6 Ų626.2 Ų26.26%0.06214%0.144CC..THydrogen-bonded Turntrans53.544.5-171.700000112.3L6 S121 C122L6-G125 WeakPolarHBondContact CB-O 3.45Å; L6-G125 PolarHBondContact N-O 3.49Å; L6-G125 VanDerWaalsContact N-O 3.08Å; L6-G125 CarbonylContact O-C 3.6Å; L6-G125 WeakPolarHBondContact O-CA 3.37Å; S121-G125 PolarHBondContact O-N 2.85Å; C122-G125 PolarHBondContact O-N 3.02Å
126A93.3Very high94.9Very high4 Ų430.7 Ų30.73%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-152.8154.9-170.200000112.2S121 Y124 T186S121-A126 PolarHBondContact N-O 3.47Å; S121-A126 PolarHBondContact O-N 3.25Å; Y124-A126 VanDerWaalsContact C-N 3.26Å; Y124-A126 PolarHBondContact O-N 3.3Å; A126-T186 HydrophobicContact CB-CG2 3.76Å
127P95.5Very high94.7Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-67.3148.3168.529.5-35.2000111.8F11 I118 L119 Y206 W210F11-P127 HydrophobicContact CD2-CB 4.32Å; F11-P127 HydrophobicContact CE2-CB 3.97Å; I118-P127 HydrophobicContact CG2-CB 3.94Å; L119-P127 CarbonylContact O-C 3.56Å; L119-P127 VanDerWaalsContact O-CA 3.3Å; L119-P127 WeakPolarHBondContact O-CA 3.34Å; P127-Y206 HydrophobicContact CG-CD1 4.39Å; P127-Y206 HydrophobicContact CG-CE1 4.05Å; P127-W210 HydrophobicContact CB-CD2 3.87Å; P127-W210 HydrophobicContact CB-CE3 3.82Å; P127-W210 HydrophobicContact CB-CH2 3.95Å; P127-W210 HydrophobicContact CB-CZ2 4.01Å; P127-W210 HydrophobicContact CB-CZ3 3.88Å; P127-W210 HydrophobicContact CG-CB 4.11Å; P127-W210 HydrophobicContact CG-CD2 3.3Å; P127-W210 HydrophobicContact CG-CE3 3.71Å; P127-W210 HydrophobicContact CG-CG 3.47Å; P127-W210 VanDerWaalsContact CG-CG 3.47Å; P127-W210 HydrophobicContact CG-CH2 4.41Å; P127-W210 HydrophobicContact CG-CZ2 4.09Å; P127-W210 HydrophobicContact CG-CZ3 4.26Å; P127-W210 WeakPolarHBondContact O-CZ2 3.31Å
128V94.8Very high94.4Very high7 Ų740.9 Ų40.94%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-130.1133.4177.4-171.10000109.6I118 L119 Y130 F180 P183I118-V128 WeakPolarHBondContact CA-O 3.36Å; L119-V128 PolarHBondContact N-O 3.31Å; L119-V128 PolarHBondContact O-N 2.84Å; V128-Y130 HydrophobicContact CB-CD2 4.45Å; V128-Y130 HydrophobicContact CB-CE2 4.06Å; V128-Y130 HydrophobicContact CG1-CD2 3.99Å; V128-Y130 HydrophobicContact CG1-CE2 3.55Å; V128-F180 HydrophobicContact CG1-CD2 4.46Å; V128-P183 HydrophobicContact CG2-CB 3.96Å; V128-P183 HydrophobicContact CG2-CG 3.84Å
129L96.3Very high94.2Very high0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-96.4115.9178.8-173.958.6000110.3Y116 I118 F131 F180 L181 W210 V214 V218Y116-L129 HydrophobicContact CD1-CD1 4.27Å; I118-L129 HydrophobicContact CG1-CD1 3.86Å; L129-F131 HydrophobicContact CG-CD1 4.5Å; L129-F180 VanDerWaalsContact O-CA 3.31Å; L129-F180 WeakPolarHBondContact O-CA 3.42Å; L129-L181 HydrophobicContact CB-CB 4.46Å; L129-L181 HydrophobicContact CB-CD1 4.46Å; L129-L181 HydrophobicContact CD2-CD1 4.01Å; L129-L181 PolarHBondContact O-N 3.02Å; L129-W210 HydrophobicContact CB-CH2 3.76Å; L129-W210 HydrophobicContact CB-CZ2 4.23Å; L129-V214 HydrophobicContact CB-CG1 4.32Å; L129-V214 HydrophobicContact CD2-CG1 4.12Å; L129-V218 HydrophobicContact CD2-CG2 3.45Å; L129-V218 VanDerWaalsContact CD2-CG2 3.45Å
130Y97.6Very high94.1Very high15 Ų1549 Ų496%0.05927%0.271CS..EExtended strand (participates in β ladder)trans-102.6145.1166.3-73.1-106.2000108.7Y116 H117 L119 V128 P172 F178 F179 F180Y116-Y130 CarbonylContact C-O 3.48Å; Y116-Y130 WeakPolarHBondContact CA-O 3.23Å; H117-Y130 PolarHBondContact N-O 3.26Å; H117-Y130 PolarHBondContact O-N 2.85Å; L119-Y130 HydrophobicContact CD1-CD2 3.36Å; L119-Y130 HydrophobicContact CD1-CE2 3.94Å; L119-Y130 HydrophobicContact CD1-CG 3.98Å; V128-Y130 HydrophobicContact CB-CD2 4.45Å; V128-Y130 HydrophobicContact CB-CE2 4.06Å; V128-Y130 HydrophobicContact CG1-CD2 3.99Å; V128-Y130 HydrophobicContact CG1-CE2 3.55Å; Y130-P172 HydrophobicContact CE2-CG 4.46Å; Y130-P172 WeakPolarHBondContact OH-CG 3.4Å; Y130-F178 HydrophobicContact CD1-CB 3.85Å; Y130-F179 CarbonylContact C-O 3.58Å; Y130-F179 VanDerWaalsContact CA-O 3.3Å; Y130-F179 WeakPolarHBondContact CA-O 3.31Å; Y130-F180 HydrophobicContact CD1-CB 3.72Å; Y130-F180 HydrophobicContact CD2-CB 4.37Å; Y130-F180 HydrophobicContact CE1-CB 3.76Å; Y130-F180 HydrophobicContact CE1-CG 4.36Å; Y130-F180 HydrophobicContact CE2-CB 4.42Å; Y130-F180 HydrophobicContact CG-CB 4.04Å
131F97.1Very high94Very high0 Ų047.2 Ų47.20%026%0.264CS..EExtended strand (participates in β ladder)trans-155.1155.7178.762.7-72.1000112.2Y114 E115 Y116 L129 M146 I166 F179 L181 V218Y114-F131 HydrophobicContact CD1-CD2 4.41Å; Y114-F131 HydrophobicContact CE1-CD2 4.41Å; E115-F131 CarbonylContact O-C 3.34Å; E115-F131 WeakPolarHBondContact O-CA 3.2Å; Y116-F131 HydrophobicContact CD1-CB 3.61Å; Y116-F131 HydrophobicContact CD1-CG 4.41Å; Y116-F131 HydrophobicContact CE1-CB 4.04Å; Y116-F131 HydrophobicContact CE1-CG 4.49Å; Y116-F131 HydrophobicContact CG-CB 4.47Å; L129-F131 HydrophobicContact CG-CD1 4.5Å; F131-M146 HydrophobicContact CD2-CE 3.41Å; F131-M146 VanDerWaalsContact CD2-CE 3.41Å; F131-M146 HydrophobicContact CD2-SD 4.15Å; F131-M146 HydrophobicContact CE2-CE 3.34Å; F131-M146 HydrophobicContact CE2-CG 4.08Å; F131-M146 HydrophobicContact CE2-SD 3.61Å; F131-M146 HydrophobicContact CZ-CE 4.49Å; F131-I166 HydrophobicContact CE1-CG2 4.41Å; F131-I166 HydrophobicContact CZ-CD1 4.08Å; F131-I166 HydrophobicContact CZ-CG1 4.1Å; F131-I166 HydrophobicContact CZ-CG2 3.79Å; F131-F179 HydrophobicContact CD1-CB 4.12Å; F131-F179 HydrophobicContact CD2-CB 4.24Å; F131-F179 HydrophobicContact CE1-CB 3.74Å; F131-F179 HydrophobicContact CE2-CB 3.9Å; F131-F179 HydrophobicContact CG-CB 4.34Å; F131-F179 HydrophobicContact CZ-CB 3.61Å; F131-F179 PolarHBondContact N-O 2.92Å; F131-F179 WeakPolarHBondContact O-CA 3.31Å; F131-F179 WeakPolarHBondContact O-CB 3.46Å; F131-F179 PolarHBondContact O-N 2.86Å; F131-L181 HydrophobicContact CE1-CG 4.23Å; F131-V218 HydrophobicContact CD1-CG1 4.38Å; F131-V218 HydrophobicContact CD2-CB 4.41Å; F131-V218 HydrophobicContact CD2-CG1 4.47Å; F131-V218 HydrophobicContact CE1-CG1 3.74Å; F131-V218 HydrophobicContact CE2-CB 4.12Å; F131-V218 HydrophobicContact CE2-CG1 3.81Å; F131-V218 HydrophobicContact CZ-CB 4.2Å; F131-V218 HydrophobicContact CZ-CG1 3.42Å; F131-V218 VanDerWaalsContact CZ-CG1 3.42Å
132R96.8Very high93.9Very high46 Ų4648.2 Ų48.217%0.17427%0.273CS..EExtended strand (participates in β ladder)trans-141.4158.4169.560-176.5-174.5-171-1.3109.1Y114 E115 F134 F178Y114-R132 WeakPolarHBondContact CA-O 3.37Å; E115-R132 HydrophobicContact CB-CG 4.01Å; E115-R132 PolarHBondContact N-O 2.83Å; E115-R132 PolarHBondContact O-N 3Å; E115-R132 IonicContact OE1-NH2 2.83Å; E115-R132 PolarHBondContact OE1-NH2 3.2Å; E115-R132 IonicContact OE2-CZ 3.17Å; E115-R132 IonicContact OE2-NE 2.78Å; E115-R132 PolarHBondContact OE2-NE 2.92Å; E115-R132 IonicContact OE2-NH2 2.85Å; E115-R132 PolarHBondContact OE2-NH2 3.39Å; R132-F134 HydrophobicContact CB-CE2 4.42Å; R132-F134 VanDerWaalsContact CD-CZ 3.42Å; R132-F134 HydrophobicContact CG-CE2 3.6Å; R132-F134 HydrophobicContact CG-CZ 3.84Å; R132-F178 HydrophobicContact CB-CD1 4.31Å; R132-F178 HydrophobicContact CB-CE1 4.41Å; R132-F178 HydrophobicContact CG-CD1 4.21Å; R132-F178 HydrophobicContact CG-CE1 3.82Å; R132-F178 HydrophobicContact CG-CZ 4.06Å
133A95.9Very high93.7Very high0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-135.5143.1-175.800000110V112 Q113 Y114 S140 L141 M146V112-A133 HydrophobicContact CG1-CB 3.69Å; Q113-A133 CarbonylContact O-C 3.01Å; Q113-A133 VanDerWaalsContact O-CA 3.31Å; Q113-A133 WeakPolarHBondContact O-CA 3.32Å; Y114-A133 HydrophobicContact CD1-CB 3.95Å; Y114-A133 HydrophobicContact CE1-CB 3.78Å; Y114-A133 HydrophobicContact CE2-CB 4.4Å; Y114-A133 HydrophobicContact CG-CB 4.34Å; A133-S140 WeakPolarHBondContact O-CA 3.49Å; A133-L141 HydrophobicContact CB-CB 4.37Å; A133-L141 HydrophobicContact CB-CD1 3.73Å; A133-L141 HydrophobicContact CB-CG 3.98Å; A133-L141 PolarHBondContact O-N 3Å; A133-M146 HydrophobicContact CB-CE 3.53Å; A133-M146 HydrophobicContact CB-SD 4.15Å
134F95.9Very high93.5Very high40 Ų4047.3 Ų47.318%0.17525%0.248CC..EExtended strand (participates in β ladder)trans-131.3142.2-177.6-54.5-87.3000110.4V112 Q113 R132 K139V112-F134 CarbonylContact C-O 3.49Å; V112-F134 WeakPolarHBondContact CA-O 3.28Å; V112-F134 WeakPolarHBondContact CG1-O 3.48Å; Q113-F134 PolarHBondContact N-O 2.74Å; Q113-F134 PolarHBondContact O-N 2.88Å; R132-F134 HydrophobicContact CB-CE2 4.42Å; R132-F134 VanDerWaalsContact CD-CZ 3.42Å; R132-F134 HydrophobicContact CG-CE2 3.6Å; R132-F134 HydrophobicContact CG-CZ 3.84Å; F134-K139 CarbonylContact C-O 3.58Å; F134-K139 VanDerWaalsContact CA-O 3.27Å; F134-K139 WeakPolarHBondContact CA-O 3.38Å
135T94.2Very high93.5Very high20 Ų2045 Ų4512%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-61.5162.9162.160.80000110.5E137 G138 K139 L141T135-E137 WeakPolarHBondContact CB-OE2 3.45Å; T135-E137 PolarHBondContact O-N 3.43Å; T135-G138 PolarHBondContact O-N 2.78Å; T135-G138 PolarHBondContact OG1-N 3.19Å; T135-K139 HydrophobicContact CG2-CB 4.28Å; T135-K139 PolarHBondContact N-O 3.22Å; T135-K139 VanDerWaalsContact OG1-CB 3.29Å; T135-K139 WeakPolarHBondContact OG1-CB 3.29Å; T135-K139 PolarHBondContact OG1-N 3.32Å; T135-K139 PolarHBondContact OG1-O 2.72Å; T135-L141 HydrophobicContact CG2-CD2 3.82Å
136L92.8Very high93.3Very high105 Ų10544.8 Ų44.855%0.5524%0.239SC..THydrogen-bonded Turntrans-63.7-22.1175.5-67.1-176.5000112.5L47 V111 G138L47-L136 HydrophobicContact CD2-CD2 3.91Å; V111-L136 HydrophobicContact CB-CD1 3.99Å; V111-L136 HydrophobicContact CB-CG 4.27Å; V111-L136 HydrophobicContact CG1-CD1 4.23Å; V111-L136 HydrophobicContact CG1-CD2 4.01Å; V111-L136 HydrophobicContact CG1-CG 4.32Å; L136-G138 PolarHBondContact O-N 2.92Å
137E93.7Very high93Very high165 Ų16545.8 Ų45.877%0.77124%0.242SC*.THydrogen-bonded Turntrans-79.2-2.5173.2-59.471.7-153.100112.8T135T135-E137 WeakPolarHBondContact CB-OE2 3.45Å; T135-E137 PolarHBondContact O-N 3.43Å
138G92.7Very high92.5Very high50 Ų5047.5 Ų47.552%0.51525%0.254SS..  trans86.22.8177.400000115.2T135 L136 S140T135-G138 PolarHBondContact O-N 2.78Å; T135-G138 PolarHBondContact OG1-N 3.19Å; L136-G138 PolarHBondContact O-N 2.92Å; G138-S140 PolarHBondContact O-N 3.26Å
139K94.4Very high92.2Very high116 Ų11647.2 Ų47.250%0.50425%0.252SS..PPolyproline II helixtrans-69126.4173.1-175.5-156.2170.2-162.90109.8F134 T135 E145F134-K139 CarbonylContact C-O 3.58Å; F134-K139 VanDerWaalsContact CA-O 3.27Å; F134-K139 WeakPolarHBondContact CA-O 3.38Å; T135-K139 HydrophobicContact CG2-CB 4.28Å; T135-K139 PolarHBondContact N-O 3.22Å; T135-K139 VanDerWaalsContact OG1-CB 3.29Å; T135-K139 WeakPolarHBondContact OG1-CB 3.29Å; T135-K139 PolarHBondContact OG1-N 3.32Å; T135-K139 PolarHBondContact OG1-O 2.72Å; K139-E145 IonicContact NZ-OE1 2.79Å; K139-E145 PolarHBondContact NZ-OE1 2.99Å; K139-E145 IonicContact NZ-OE2 3.44Å; K139-E145 PolarHBondContact NZ-OE2 3.44Å
140S94.4Very high91.8Very high63 Ų6347.4 Ų47.444%0.44125%0.253SS..BIsolated β-bridgetrans-65.1138.3170.3-172.70000110.8A133 G138A133-S140 WeakPolarHBondContact O-CA 3.49Å; G138-S140 PolarHBondContact O-N 3.26Å
141L92.8Very high91.3Very high8 Ų849.8 Ų49.84%0.04227%0.265CS..PPolyproline II helixtrans-72.4138.2174-60.9-167000111.1V112 A133 T135 E145 T149V112-L141 HydrophobicContact CG1-CD1 3.82Å; V112-L141 HydrophobicContact CG1-CG 4.48Å; V112-L141 HydrophobicContact CG2-CD1 4.45Å; A133-L141 HydrophobicContact CB-CB 4.37Å; A133-L141 HydrophobicContact CB-CD1 3.73Å; A133-L141 HydrophobicContact CB-CG 3.98Å; A133-L141 PolarHBondContact O-N 3Å; T135-L141 HydrophobicContact CG2-CD2 3.82Å; L141-E145 WeakPolarHBondContact CA-OE2 3.15Å; L141-E145 HydrophobicContact CB-CB 4.05Å; L141-E145 HydrophobicContact CD2-CB 4.24Å; L141-E145 HydrophobicContact CG-CB 4.5Å; L141-T149 HydrophobicContact CD1-CG2 3.76Å
142A90.9Very high90.8Very high43 Ų4352.2 Ų52.236%0.35528%0.281SS..PPolyproline II helixtrans-72.3170.2165.600000111.1E144 E145 M146A142-E144 VanDerWaalsContact C-N 3.33Å; A142-E144 PolarHBondContact O-N 2.97Å; A142-E145 HydrophobicContact CB-CG 4.42Å; A142-E145 PolarHBondContact N-OE2 2.86Å; A142-E145 PolarHBondContact O-N 2.76Å; A142-M146 WeakPolarHBondContact O-CB 3.5Å; A142-M146 PolarHBondContact O-N 3.19Å
143L87Confident90.2Very high53 Ų5355.4 Ų55.428%0.27730%0.301SS..Hα-helixtrans-60.4-42.8-177.5-179.162.3000111.8M146 W147 I166 F179L143-M146 WeakPolarHBondContact O-CB 3.27Å; L143-M146 PolarHBondContact O-N 3.35Å; L143-W147 PolarHBondContact O-N 2.88Å; L143-I166 HydrophobicContact CD1-CG2 4.48Å; L143-F179 HydrophobicContact CB-CE1 4.01Å; L143-F179 HydrophobicContact CD1-CD1 3.85Å; L143-F179 HydrophobicContact CD1-CE1 3.58Å; L143-F179 HydrophobicContact CG-CE1 4.41Å
144E85.6Confident89.6Confident138 Ų13859.1 Ų59.165%0.64532%0.316SS*.Hα-helixtrans-66.1-43.2-179.8-6073.8-16300111.3A142 M146 W147 S148A142-E144 VanDerWaalsContact C-N 3.33Å; A142-E144 PolarHBondContact O-N 2.97Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-W147 PolarHBondContact O-N 3.41Å; E144-S148 PolarHBondContact O-N 2.83Å; E144-S148 VanDerWaalsContact O-N 3.15Å
145E89.1Confident88.9Confident67 Ų6757.7 Ų57.731%0.31331%0.309SS..Hα-helixtrans-63.6-39.3173.2-65.4173.914200110.5K139 L141 A142 S148 T149K139-E145 IonicContact NZ-OE1 2.79Å; K139-E145 PolarHBondContact NZ-OE1 2.99Å; K139-E145 IonicContact NZ-OE2 3.44Å; K139-E145 PolarHBondContact NZ-OE2 3.44Å; L141-E145 WeakPolarHBondContact CA-OE2 3.15Å; L141-E145 HydrophobicContact CB-CB 4.05Å; L141-E145 HydrophobicContact CD2-CB 4.24Å; L141-E145 HydrophobicContact CG-CB 4.5Å; A142-E145 HydrophobicContact CB-CG 4.42Å; A142-E145 PolarHBondContact N-OE2 2.86Å; A142-E145 PolarHBondContact O-N 2.76Å; E145-S148 PolarHBondContact O-N 2.95Å; E145-S148 PolarHBondContact O-OG 2.81Å; E145-T149 WeakPolarHBondContact O-CG2 3.3Å; E145-T149 PolarHBondContact O-N 2.8Å
146M88.6Confident88.1Confident1 Ų161.6 Ų61.61%0.00533%0.329CS..Hα-helixtrans-63.2-44.9175.6179.761.99400111.1Y114 F131 A133 A142 L143 E144 S148 T149 F179Y114-M146 HydrophobicContact CE1-CE 4.18Å; Y114-M146 HydrophobicContact CE1-SD 3.9Å; F131-M146 HydrophobicContact CD2-CE 3.41Å; F131-M146 VanDerWaalsContact CD2-CE 3.41Å; F131-M146 HydrophobicContact CD2-SD 4.15Å; F131-M146 HydrophobicContact CE2-CE 3.34Å; F131-M146 HydrophobicContact CE2-CG 4.08Å; F131-M146 HydrophobicContact CE2-SD 3.61Å; F131-M146 HydrophobicContact CZ-CE 4.49Å; A133-M146 HydrophobicContact CB-CE 3.53Å; A133-M146 HydrophobicContact CB-SD 4.15Å; A142-M146 WeakPolarHBondContact O-CB 3.5Å; A142-M146 PolarHBondContact O-N 3.19Å; L143-M146 WeakPolarHBondContact O-CB 3.27Å; L143-M146 PolarHBondContact O-N 3.35Å; E144-M146 VanDerWaalsContact C-N 3.32Å; M146-S148 PolarHBondContact O-N 2.9Å; M146-T149 WeakPolarHBondContact O-CB 3.39Å; M146-T149 PolarHBondContact O-N 3.37Å; M146-T149 PolarHBondContact O-OG1 2.9Å; M146-F179 HydrophobicContact CB-CE1 4.36Å; M146-F179 HydrophobicContact CB-CE2 4.1Å; M146-F179 HydrophobicContact CB-CZ 3.98Å; M146-F179 HydrophobicContact CE-CD2 3.2Å; M146-F179 HydrophobicContact CE-CE2 3.52Å; M146-F179 HydrophobicContact CE-CG 4.02Å; M146-F179 HydrophobicContact CG-CD2 4.18Å; M146-F179 HydrophobicContact CG-CE2 4.19Å; M146-F179 HydrophobicContact CG-CG 4.34Å; M146-F179 HydrophobicContact CG-CZ 4.4Å
147W86.1Confident87.3Confident25 Ų2565.4 Ų65.410%0.09534%0.336CS..Hα-helixtrans-58.5-38.9176.6-78.5109.3000111.7L57 L143 E144 T149 I150 R155 L158 I166L57-W147 HydrophobicContact CD1-CB 4.46Å; L143-W147 PolarHBondContact O-N 2.88Å; E144-W147 PolarHBondContact O-N 3.41Å; W147-T149 PolarHBondContact O-N 3.36Å; W147-T149 VanDerWaalsContact O-N 3.11Å; W147-I150 HydrophobicContact CD2-CD1 4.22Å; W147-I150 HydrophobicContact CE3-CD1 3.59Å; W147-I150 HydrophobicContact CZ3-CD1 3.95Å; W147-I150 PolarHBondContact O-N 2.9Å; W147-I150 VanDerWaalsContact O-N 3.11Å; W147-R155 HydrophobicContact CE3-CG 4.37Å; W147-R155 PolarHBondContact O-NE 3.22Å; W147-R155 PolarHBondContact O-NH2 2.79Å; W147-L158 HydrophobicContact CH2-CB 4.09Å; W147-L158 HydrophobicContact CH2-CD1 4.14Å; W147-L158 HydrophobicContact CZ3-CB 4.06Å; W147-L158 HydrophobicContact CZ3-CD1 3.73Å; W147-I166 HydrophobicContact CE3-CD1 4.5Å; W147-I166 HydrophobicContact CH2-CB 3.98Å; W147-I166 HydrophobicContact CH2-CD1 4.01Å; W147-I166 HydrophobicContact CH2-CG1 4.21Å; W147-I166 HydrophobicContact CZ2-CB 3.73Å; W147-I166 HydrophobicContact CZ2-CD1 4.4Å; W147-I166 HydrophobicContact CZ2-CG1 4.45Å; W147-I166 HydrophobicContact CZ3-CD1 4.06Å
148S86.8Confident86.4Confident36 Ų3658.7 Ų58.725%0.25231%0.305SS..Hα-helixtrans-66.3-10.617881.30000114.5E144 E145 M146 R155E144-S148 PolarHBondContact O-N 2.83Å; E144-S148 VanDerWaalsContact O-N 3.15Å; E145-S148 PolarHBondContact O-N 2.95Å; E145-S148 PolarHBondContact O-OG 2.81Å; M146-S148 PolarHBondContact O-N 2.9Å; S148-R155 PolarHBondContact O-NH2 2.88Å
149T87.9Confident85.1Confident1 Ų161.3 Ų61.31%0.00630%0.304CS..THydrogen-bonded Turntrans-93.1-7.9174.871.20000115.3V50 W54 V112 Y114 L141 E145 M146 W147V50-T149 HydrophobicContact CG2-CG2 4.04Å; W54-T149 WeakPolarHBondContact CZ3-O 3.21Å; V112-T149 HydrophobicContact CG2-CG2 4.4Å; Y114-T149 WeakPolarHBondContact OH-CB 3.39Å; Y114-T149 PolarHBondContact OH-OG1 2.85Å; L141-T149 HydrophobicContact CD1-CG2 3.76Å; E145-T149 WeakPolarHBondContact O-CG2 3.3Å; E145-T149 PolarHBondContact O-N 2.8Å; M146-T149 WeakPolarHBondContact O-CB 3.39Å; M146-T149 PolarHBondContact O-N 3.37Å; M146-T149 PolarHBondContact O-OG1 2.9Å; W147-T149 PolarHBondContact O-N 3.36Å; W147-T149 VanDerWaalsContact O-N 3.11Å
150I87.6Confident83.6Confident3 Ų361.7 Ų61.72%0.01531%0.311CS..SBendtrans-89.1141-178.9-64.2165.5000108.8W147 R155 L158 I166 V217W147-I150 HydrophobicContact CD2-CD1 4.22Å; W147-I150 HydrophobicContact CE3-CD1 3.59Å; W147-I150 HydrophobicContact CZ3-CD1 3.95Å; W147-I150 PolarHBondContact O-N 2.9Å; W147-I150 VanDerWaalsContact O-N 3.11Å; I150-R155 HydrophobicContact CB-CG 3.98Å; I150-R155 HydrophobicContact CG2-CG 3.82Å; I150-R155 PolarHBondContact O-NE 3.23Å; I150-R155 PolarHBondContact O-NH2 3.44Å; I150-L158 HydrophobicContact CG2-CD1 4.49Å; I150-I166 HydrophobicContact CD1-CD1 3.09Å; I150-I166 HydrophobicContact CG1-CD1 4.33Å; I150-V217 WeakPolarHBondContact CG2-O 3.26Å
151H87.4Confident81.9Confident66 Ų6660.2 Ų60.231%0.30630%0.301SS..  trans-60.1137178.7-171.8-76.9000111.1W54 N153 Y154 R155W54-H151 AromaticContact CE2-CD2 3.9Å; W54-H151 HydrophobicContact CH2-CB 4.06Å; W54-H151 AromaticContact CH2-CD2 3.94Å; W54-H151 HydrophobicContact CZ2-CB 4.32Å; W54-H151 AromaticContact CZ2-CD2 3.42Å; W54-H151 VanDerWaalsContact CZ2-CD2 3.42Å; W54-H151 WeakPolarHBondContact CZ2-CD2 3.37Å; W54-H151 HydrophobicContact CZ3-CB 4.27Å; H151-N153 VanDerWaalsContact C-N 3.29Å; H151-N153 VanDerWaalsContact CE1-CG 3.47Å; H151-N153 PolarHBondContact CE1-ND2 2.89Å; H151-N153 VanDerWaalsContact CE1-ND2 3.31Å; H151-N153 WeakPolarHBondContact ND1-CB 3.34Å; H151-N153 PolarHBondContact ND1-N 3.26Å; H151-N153 VanDerWaalsContact ND1-N 3.13Å; H151-N153 PolarHBondContact O-N 3Å; H151-N153 VanDerWaalsContact O-N 3.15Å; H151-Y154 HydrophobicContact CB-CD2 3.77Å; H151-Y154 HydrophobicContact CB-CE2 4.29Å; H151-Y154 PolarHBondContact O-N 3.06Å; H151-R155 PolarHBondContact O-N 3.22Å; H151-R155 VanDerWaalsContact O-N 3.11Å
152P86.2Confident79.7Confident51 Ų5166 Ų6633%0.33134%0.339SS..Hα-helixtrans-50.7-41.8-177.7-3135.8000114.9W54 Y154 R155 L156W54-P152 HydrophobicContact CB-CG 4.31Å; W54-P152 HydrophobicContact CG-CG 4.13Å; P152-Y154 VanDerWaalsContact C-N 3.25Å; P152-Y154 PolarHBondContact O-N 3.02Å; P152-R155 PolarHBondContact O-N 3.31Å; P152-R155 VanDerWaalsContact O-N 3.12Å; P152-L156 PolarHBondContact O-N 3.46Å
153N84.1Confident77.4Confident113 Ų11369 Ų6960%0.60435%0.349SS*.Hα-helixtrans-56.4-35.2174.9-66.8-11.6000114H151 R157H151-N153 VanDerWaalsContact C-N 3.29Å; H151-N153 VanDerWaalsContact CE1-CG 3.47Å; H151-N153 PolarHBondContact CE1-ND2 2.89Å; H151-N153 VanDerWaalsContact CE1-ND2 3.31Å; H151-N153 WeakPolarHBondContact ND1-CB 3.34Å; H151-N153 PolarHBondContact ND1-N 3.26Å; H151-N153 VanDerWaalsContact ND1-N 3.13Å; H151-N153 PolarHBondContact O-N 3Å; H151-N153 VanDerWaalsContact O-N 3.15Å; N153-R157 WeakPolarHBondContact O-CG 3.38Å
154Y82.9Confident75.9Confident77 Ų7771.4 Ų71.430%0.30236%0.362SS..Hα-helixtrans-78.1-42.2175.1-65.1-57.8000110.6H151 P152 L156 R157 L158 P216 V217H151-Y154 HydrophobicContact CB-CD2 3.77Å; H151-Y154 HydrophobicContact CB-CE2 4.29Å; H151-Y154 PolarHBondContact O-N 3.06Å; P152-Y154 VanDerWaalsContact C-N 3.25Å; P152-Y154 PolarHBondContact O-N 3.02Å; Y154-L156 PolarHBondContact O-N 3.36Å; Y154-R157 PolarHBondContact O-N 3.3Å; Y154-R157 VanDerWaalsContact O-N 3.11Å; Y154-L158 WeakPolarHBondContact O-CB 3.47Å; Y154-L158 WeakPolarHBondContact O-CG 3.3Å; Y154-L158 PolarHBondContact O-N 3.45Å; Y154-P216 HydrophobicContact CE2-CB 4.41Å; Y154-P216 VanDerWaalsContact CE2-O 3.25Å; Y154-P216 WeakPolarHBondContact CE2-O 3.49Å; Y154-P216 WeakPolarHBondContact OH-CB 3.44Å; Y154-V217 HydrophobicContact CD1-CG2 4.35Å; Y154-V217 HydrophobicContact CE1-CG2 4.47Å
155R82.3Confident75.2Confident11 Ų1165.8 Ų65.84%0.04234%0.338CS..Hα-helixtrans-53.4-51.5177.9-62.5-171.4-157.8154.36112.3W54 G55 L57 W147 S148 I150 H151 P152 R157 L158 Q159W54-R155 PolarHBondContact O-NH1 3.44Å; G55-R155 PolarHBondContact O-NH1 3.43Å; L57-R155 HydrophobicContact CD2-CB 4.42Å; W147-R155 HydrophobicContact CE3-CG 4.37Å; W147-R155 PolarHBondContact O-NE 3.22Å; W147-R155 PolarHBondContact O-NH2 2.79Å; S148-R155 PolarHBondContact O-NH2 2.88Å; I150-R155 HydrophobicContact CB-CG 3.98Å; I150-R155 HydrophobicContact CG2-CG 3.82Å; I150-R155 PolarHBondContact O-NE 3.23Å; I150-R155 PolarHBondContact O-NH2 3.44Å; H151-R155 PolarHBondContact O-N 3.22Å; H151-R155 VanDerWaalsContact O-N 3.11Å; P152-R155 PolarHBondContact O-N 3.31Å; P152-R155 VanDerWaalsContact O-N 3.12Å; R155-R157 VanDerWaalsContact C-N 3.26Å; R155-R157 PolarHBondContact O-N 2.87Å; R155-L158 PolarHBondContact O-N 3.49Å; R155-L158 VanDerWaalsContact O-N 3.13Å; R155-Q159 WeakPolarHBondContact O-CB 3.19Å; R155-Q159 VanDerWaalsContact O-CG 3.27Å; R155-Q159 WeakPolarHBondContact O-CG 3.48Å; R155-Q159 PolarHBondContact O-N 3.03Å
156L77.6Confident75Confident102 Ų10262.6 Ų62.653%0.53432%0.324SS..Hα-helixtrans-58.8-40.1-179.6-177.465.6000111.6P152 Y154 N160P152-L156 PolarHBondContact O-N 3.46Å; Y154-L156 PolarHBondContact O-N 3.36Å; L156-N160 PolarHBondContact O-N 2.87Å; L156-N160 PolarHBondContact O-ND2 2.81Å
157R75.4Confident74.9Confident184 Ų18464.4 Ų64.469%0.69434%0.336SS*.Hα-helixtrans-71.1-36.2178.3-71.4-173.666.5-164.4-2.2112.8N153 Y154 R155N153-R157 WeakPolarHBondContact O-CG 3.38Å; Y154-R157 PolarHBondContact O-N 3.3Å; Y154-R157 VanDerWaalsContact O-N 3.11Å; R155-R157 VanDerWaalsContact C-N 3.26Å; R155-R157 PolarHBondContact O-N 2.87Å
158L73.9Confident75.1Confident25 Ų2568.9 Ų68.913%0.13136%0.358CS..Hα-helixtrans-72.3-35178.6-63.8166.1000111.2W147 I150 Y154 R155 N160 C161 A165 I166 V217W147-L158 HydrophobicContact CH2-CB 4.09Å; W147-L158 HydrophobicContact CH2-CD1 4.14Å; W147-L158 HydrophobicContact CZ3-CB 4.06Å; W147-L158 HydrophobicContact CZ3-CD1 3.73Å; I150-L158 HydrophobicContact CG2-CD1 4.49Å; Y154-L158 WeakPolarHBondContact O-CB 3.47Å; Y154-L158 WeakPolarHBondContact O-CG 3.3Å; Y154-L158 PolarHBondContact O-N 3.45Å; R155-L158 PolarHBondContact O-N 3.49Å; R155-L158 VanDerWaalsContact O-N 3.13Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 2.91Å; L158-C161 PolarHBondContact O-N 2.79Å; L158-A165 HydrophobicContact CB-CB 4.28Å; L158-A165 HydrophobicContact CD2-CB 3.31Å; L158-A165 HydrophobicContact CG-CB 4.27Å; L158-I166 HydrophobicContact CD1-CD1 4.31Å; L158-V217 HydrophobicContact CD1-CG1 3.74Å; L158-V217 HydrophobicContact CD2-CG1 3.91Å; L158-V217 HydrophobicContact CG-CG1 4.31Å
159Q66.2Low75.3Confident105 Ų10571.6 Ų71.649%0.49137%0.367SS..Hα-helixtrans-65.5-33.7175.4-74.9173.3-23.500113.3R155 C161R155-Q159 WeakPolarHBondContact O-CB 3.19Å; R155-Q159 VanDerWaalsContact O-CG 3.27Å; R155-Q159 WeakPolarHBondContact O-CG 3.48Å; R155-Q159 PolarHBondContact O-N 3.03Å; Q159-C161 PolarHBondContact O-N 3.21Å
160N62Low75.7Confident123 Ų12378 Ų7866%0.65840%0.397SS*.THydrogen-bonded Turntrans-79.3-1.4177.1-71.9-54.9000113.4L156 L158L156-N160 PolarHBondContact O-N 2.87Å; L156-N160 PolarHBondContact O-ND2 2.81Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 2.91Å
161C60.3Low76.1Confident32 Ų3278 Ų7822%0.21640%0.397CS..SBendtrans-91.1126167.3-80.10000108.9L158 Q159 L163 R185L158-C161 PolarHBondContact O-N 2.79Å; Q159-C161 PolarHBondContact O-N 3.21Å; C161-L163 CarbonylContact O-C 3.58Å; C161-L163 PolarHBondContact O-N 2.82Å; C161-R185 VanDerWaalsContact SG-CZ 3.55Å; C161-R185 PolarHBondContact SG-NH2 2.81Å; C161-R185 VanDerWaalsContact SG-NH2 3.44Å
162P46.3Very low76.4Confident130 Ų13078.7 Ų78.784%0.84441%0.407SS*.SBendtrans-60.1-1.8-179.5-22.631.1000115.6
163L42.3Very low76.8Confident107 Ų10778.5 Ų78.556%0.5640%0.403SS*.SBendtrans-119.1123.7176.2-63.9171.7000106.7C161 A165C161-L163 CarbonylContact O-C 3.58Å; C161-L163 PolarHBondContact O-N 2.82Å; L163-A165 PolarHBondContact O-N 2.78Å
164N55.3Low77.3Confident103 Ų10376.3 Ų76.355%0.55139%0.391SS*.  trans-50.390.1167.3-80-23.5000109.1I166 S167N164-I166 CarbonylContact O-C 3.34Å; N164-I166 PolarHBondContact O-N 2.84Å; N164-S167 PolarHBondContact O-OG 2.92Å
165A71.5Confident77.9Confident19 Ų1975 Ų7516%0.15740%0.401CS..SBendtrans-55.2-29.8-17300000111L158 L163 L181 H182L158-A165 HydrophobicContact CB-CB 4.28Å; L158-A165 HydrophobicContact CD2-CB 3.31Å; L158-A165 HydrophobicContact CG-CB 4.27Å; L163-A165 PolarHBondContact O-N 2.78Å; A165-L181 VanDerWaalsContact O-CA 3.29Å; A165-L181 WeakPolarHBondContact O-CA 3.3Å; A165-L181 WeakPolarHBondContact O-CD2 3.37Å; A165-H182 PolarHBondContact O-N 3.21Å
166I84.6Confident78.5Confident1 Ų178.6 Ų78.61%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-104.8119.1166.7-60.9167.9000108.6F131 L143 W147 I150 L158 N164 F179 F180 L181 V218F131-I166 HydrophobicContact CE1-CG2 4.41Å; F131-I166 HydrophobicContact CZ-CD1 4.08Å; F131-I166 HydrophobicContact CZ-CG1 4.1Å; F131-I166 HydrophobicContact CZ-CG2 3.79Å; L143-I166 HydrophobicContact CD1-CG2 4.48Å; W147-I166 HydrophobicContact CE3-CD1 4.5Å; W147-I166 HydrophobicContact CH2-CB 3.98Å; W147-I166 HydrophobicContact CH2-CD1 4.01Å; W147-I166 HydrophobicContact CH2-CG1 4.21Å; W147-I166 HydrophobicContact CZ2-CB 3.73Å; W147-I166 HydrophobicContact CZ2-CD1 4.4Å; W147-I166 HydrophobicContact CZ2-CG1 4.45Å; W147-I166 HydrophobicContact CZ3-CD1 4.06Å; I150-I166 HydrophobicContact CD1-CD1 3.09Å; I150-I166 HydrophobicContact CG1-CD1 4.33Å; L158-I166 HydrophobicContact CD1-CD1 4.31Å; N164-I166 CarbonylContact O-C 3.34Å; N164-I166 PolarHBondContact O-N 2.84Å; I166-F179 HydrophobicContact CG2-CB 4.05Å; I166-F179 HydrophobicContact CG2-CD1 4.23Å; I166-F179 HydrophobicContact CG2-CG 4.46Å; I166-F180 WeakPolarHBondContact CA-O 3.47Å; I166-L181 HydrophobicContact CD1-CD2 4.25Å; I166-L181 HydrophobicContact CG1-CD2 3.37Å; I166-L181 HydrophobicContact CG1-CG 4.42Å; I166-V218 HydrophobicContact CD1-CG1 4.09Å
167S85.4Confident79.3Confident39 Ų3977.7 Ų77.727%0.27342%0.418SS..EExtended strand (participates in β ladder)trans-130.3168.7173.9-70.10000109.6N164 F179 F180N164-S167 PolarHBondContact O-OG 2.92Å; S167-F179 CarbonylContact O-C 3.49Å; S167-F179 VanDerWaalsContact O-CA 3.27Å; S167-F179 WeakPolarHBondContact O-CA 3.27Å; S167-F180 VanDerWaalsContact CB-CE1 3.45Å; S167-F180 PolarHBondContact N-O 2.88Å; S167-F180 VanDerWaalsContact O-CD1 3.28Å; S167-F180 WeakPolarHBondContact O-CD1 3.42Å; S167-F180 PolarHBondContact O-N 3.26Å
168Q90.5Very high80.3Confident119 Ų11969 Ų6956%0.55639%0.386SS*.EExtended strand (participates in β ladder)trans-102.5132.3175.8-169.3175.2-36.800110.2P177 F178 F179Q168-P177 HydrophobicContact CG-CB 4.5Å; Q168-F178 WeakPolarHBondContact CA-O 3.48Å; Q168-F179 HydrophobicContact CB-CD1 4.48Å
169Q92.3Very high81.3Confident93 Ų9368.2 Ų68.244%0.43538%0.381SS..EExtended strand (participates in β ladder)trans-145.1159.1176.9-171.3170.15.300110F178 F180Q169-F178 PolarHBondContact N-O 3.24Å; Q169-F178 PolarHBondContact O-N 2.97Å; Q169-F180 HydrophobicContact CB-CD1 3.59Å; Q169-F180 HydrophobicContact CB-CE1 3.67Å; Q169-F180 HydrophobicContact CB-CG 4.44Å
170E96Very high82.5Confident136 Ų13664.3 Ų64.364%0.63636%0.363SS*.EExtended strand (participates in β ladder)trans-68.5133.3167.8-66-175.3146.600110.7P172 Q176E170-P172 WeakPolarHBondContact O-CD 3.06Å; E170-Q176 CarbonylContact C-O 3.6Å; E170-Q176 WeakPolarHBondContact CA-O 3.36Å
171H95.9Very high83.8Confident1 Ų159.1 Ų59.11%0.00534%0.335CS..  trans-62.7121.5174.1-175.5-76.1000109.7Y41 H117 L173 L174 G175 Q176 F178Y41-H171 AromaticContact CE1-CE1 3.97Å; H117-H171 AromaticContact CE1-NE2 3.99Å; H117-H171 AromaticContact CG-NE2 3.7Å; H117-H171 AromaticContact ND1-CD2 3.32Å; H117-H171 PolarHBondContact ND1-CD2 3.08Å; H117-H171 VanDerWaalsContact ND1-CD2 3.32Å; H117-H171 AromaticContact ND1-CE1 3.91Å; H117-H171 AromaticContact ND1-NE2 2.92Å; H117-H171 PolarHBondContact ND1-NE2 2.79Å; H171-L173 PolarHBondContact ND1-N 2.85Å; H171-L173 PolarHBondContact O-N 2.74Å; H171-L174 HydrophobicContact CB-CB 4.03Å; H171-L174 WeakPolarHBondContact ND1-CG 3.49Å; H171-L174 PolarHBondContact ND1-N 3.35Å; H171-L174 PolarHBondContact O-N 2.92Å; H171-G175 PolarHBondContact O-N 3.5Å; H171-Q176 PolarHBondContact N-O 3.18Å; H171-F178 HydrophobicContact CB-CD2 3.69Å; H171-F178 HydrophobicContact CB-CE2 4.05Å; H171-F178 HydrophobicContact CB-CG 4.21Å
172P93.8Very high85.1Confident82 Ų8260.8 Ų60.853%0.53234%0.339SS..THydrogen-bonded Turntrans-54.5-33.9-169.3-29.334.5000114.6L119 Y130 E170L119-P172 HydrophobicContact CD2-CB 4.48Å; L119-P172 HydrophobicContact CD2-CG 4.32Å; Y130-P172 HydrophobicContact CE2-CG 4.46Å; Y130-P172 WeakPolarHBondContact OH-CG 3.4Å; E170-P172 WeakPolarHBondContact O-CD 3.06Å
173L94.1Very high87.1Confident46 Ų4655 Ų5524%0.24130%0.302CS..THydrogen-bonded Turntrans-98.8-14.2-176.5-52.9174.5000114.1V34 E39 Y41 L119 H171V34-L173 HydrophobicContact CG2-CB 3.93Å; V34-L173 HydrophobicContact CG2-CD1 3.74Å; V34-L173 HydrophobicContact CG2-CD2 4.12Å; V34-L173 HydrophobicContact CG2-CG 4.12Å; E39-L173 VanDerWaalsContact OE2-CD2 3.28Å; E39-L173 WeakPolarHBondContact OE2-CD2 3.45Å; Y41-L173 HydrophobicContact CD1-CD1 3.75Å; Y41-L173 HydrophobicContact CE1-CD1 4.48Å; L119-L173 HydrophobicContact CD2-CD1 3.74Å; L119-L173 HydrophobicContact CD2-CG 3.95Å; H171-L173 PolarHBondContact ND1-N 2.85Å; H171-L173 PolarHBondContact O-N 2.74Å
174L94.4Very high89Confident68 Ų6852.8 Ų52.836%0.35630%0.295SS..THydrogen-bonded Turntrans-115.7-18.6-173.3-60.9176.1000113.1H171 Q176 F178H171-L174 HydrophobicContact CB-CB 4.03Å; H171-L174 WeakPolarHBondContact ND1-CG 3.49Å; H171-L174 PolarHBondContact ND1-N 3.35Å; H171-L174 PolarHBondContact O-N 2.92Å; L174-Q176 PolarHBondContact O-N 3.06Å; L174-F178 HydrophobicContact CD1-CE2 4.31Å; L174-F178 HydrophobicContact CD1-CZ 4.29Å
175G95Very high90.2Very high49 Ų4954 Ų5451%0.50529%0.292SS..  trans63.925.9-177.600000113.9H171H171-G175 PolarHBondContact O-N 3.5Å
176Q95.1Very high91Very high87 Ų8753.5 Ų53.541%0.40729%0.286SS..SBendtrans-118151.9-178-70.8-178.71.700110.9E170 H171 L174 F178E170-Q176 CarbonylContact C-O 3.6Å; E170-Q176 WeakPolarHBondContact CA-O 3.36Å; H171-Q176 PolarHBondContact N-O 3.18Å; L174-Q176 PolarHBondContact O-N 3.06Å; Q176-F178 HydrophobicContact CB-CD2 4.47Å; Q176-F178 HydrophobicContact CB-CE2 4.25Å; Q176-F178 PolarHBondContact O-N 2.63Å
177P95.3Very high91Very high82 Ų8258.7 Ų58.753%0.53231%0.311SS..EExtended strand (participates in β ladder)trans-68.1128.5179.827.6-34.4000111.7Q168Q168-P177 HydrophobicContact CG-CB 4.5Å
178F97Very high91.1Very high3 Ų363.2 Ų63.21%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-133.3153173.2-86.5-115000109.1H117 Y130 R132 Q168 Q169 H171 L174 Q176H117-F178 AromaticContact CE1-CE1 3.63Å; H117-F178 AromaticContact CE1-CZ 3.45Å; H117-F178 VanDerWaalsContact CE1-CZ 3.45Å; H117-F178 WeakPolarHBondContact CE1-CZ 3.35Å; H117-F178 AromaticContact CG-CE1 3.97Å; H117-F178 AromaticContact ND1-CE1 3.53Å; H117-F178 AromaticContact ND1-CZ 3.67Å; Y130-F178 HydrophobicContact CD1-CB 3.85Å; R132-F178 HydrophobicContact CB-CD1 4.31Å; R132-F178 HydrophobicContact CB-CE1 4.41Å; R132-F178 HydrophobicContact CG-CD1 4.21Å; R132-F178 HydrophobicContact CG-CE1 3.82Å; R132-F178 HydrophobicContact CG-CZ 4.06Å; Q168-F178 WeakPolarHBondContact CA-O 3.48Å; Q169-F178 PolarHBondContact N-O 3.24Å; Q169-F178 PolarHBondContact O-N 2.97Å; H171-F178 HydrophobicContact CB-CD2 3.69Å; H171-F178 HydrophobicContact CB-CE2 4.05Å; H171-F178 HydrophobicContact CB-CG 4.21Å; L174-F178 HydrophobicContact CD1-CE2 4.31Å; L174-F178 HydrophobicContact CD1-CZ 4.29Å; Q176-F178 HydrophobicContact CB-CD2 4.47Å; Q176-F178 HydrophobicContact CB-CE2 4.25Å; Q176-F178 PolarHBondContact O-N 2.63Å
179F94.6Very high90.9Very high8 Ų859.9 Ų59.94%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-76.6147.8159.8-56.6-76.5000108.6Y130 F131 L143 M146 I166 S167 Q168Y130-F179 CarbonylContact C-O 3.58Å; Y130-F179 VanDerWaalsContact CA-O 3.3Å; Y130-F179 WeakPolarHBondContact CA-O 3.31Å; F131-F179 HydrophobicContact CD1-CB 4.12Å; F131-F179 HydrophobicContact CD2-CB 4.24Å; F131-F179 HydrophobicContact CE1-CB 3.74Å; F131-F179 HydrophobicContact CE2-CB 3.9Å; F131-F179 HydrophobicContact CG-CB 4.34Å; F131-F179 HydrophobicContact CZ-CB 3.61Å; F131-F179 PolarHBondContact N-O 2.92Å; F131-F179 WeakPolarHBondContact O-CA 3.31Å; F131-F179 WeakPolarHBondContact O-CB 3.46Å; F131-F179 PolarHBondContact O-N 2.86Å; L143-F179 HydrophobicContact CB-CE1 4.01Å; L143-F179 HydrophobicContact CD1-CD1 3.85Å; L143-F179 HydrophobicContact CD1-CE1 3.58Å; L143-F179 HydrophobicContact CG-CE1 4.41Å; M146-F179 HydrophobicContact CB-CE1 4.36Å; M146-F179 HydrophobicContact CB-CE2 4.1Å; M146-F179 HydrophobicContact CB-CZ 3.98Å; M146-F179 HydrophobicContact CE-CD2 3.2Å; M146-F179 HydrophobicContact CE-CE2 3.52Å; M146-F179 HydrophobicContact CE-CG 4.02Å; M146-F179 HydrophobicContact CG-CD2 4.18Å; M146-F179 HydrophobicContact CG-CE2 4.19Å; M146-F179 HydrophobicContact CG-CG 4.34Å; M146-F179 HydrophobicContact CG-CZ 4.4Å; I166-F179 HydrophobicContact CG2-CB 4.05Å; I166-F179 HydrophobicContact CG2-CD1 4.23Å; I166-F179 HydrophobicContact CG2-CG 4.46Å; S167-F179 CarbonylContact O-C 3.49Å; S167-F179 VanDerWaalsContact O-CA 3.27Å; S167-F179 WeakPolarHBondContact O-CA 3.27Å; Q168-F179 HydrophobicContact CB-CD1 4.48Å
180F91.4Very high90.8Very high22 Ų2255.5 Ų55.510%0.09629%0.291CS..EExtended strand (participates in β ladder)trans-140.1147.3176.783.1-77.1000111.3V128 L129 Y130 I166 S167 Q169 H182V128-F180 HydrophobicContact CG1-CD2 4.46Å; L129-F180 VanDerWaalsContact O-CA 3.31Å; L129-F180 WeakPolarHBondContact O-CA 3.42Å; Y130-F180 HydrophobicContact CD1-CB 3.72Å; Y130-F180 HydrophobicContact CD2-CB 4.37Å; Y130-F180 HydrophobicContact CE1-CB 3.76Å; Y130-F180 HydrophobicContact CE1-CG 4.36Å; Y130-F180 HydrophobicContact CE2-CB 4.42Å; Y130-F180 HydrophobicContact CG-CB 4.04Å; I166-F180 WeakPolarHBondContact CA-O 3.47Å; S167-F180 VanDerWaalsContact CB-CE1 3.45Å; S167-F180 PolarHBondContact N-O 2.88Å; S167-F180 VanDerWaalsContact O-CD1 3.28Å; S167-F180 WeakPolarHBondContact O-CD1 3.42Å; S167-F180 PolarHBondContact O-N 3.26Å; Q169-F180 HydrophobicContact CB-CD1 3.59Å; Q169-F180 HydrophobicContact CB-CE1 3.67Å; Q169-F180 HydrophobicContact CB-CG 4.44Å; F180-H182 HydrophobicContact CE2-CB 4.12Å; F180-H182 AromaticContact CE2-CD2 3.87Å
181L89.3Confident90.5Very high15 Ų1550.2 Ų50.28%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-90.9121169.5-72.9176.2000110L129 F131 A165 I166 V214 V217 V218L129-L181 HydrophobicContact CB-CB 4.46Å; L129-L181 HydrophobicContact CB-CD1 4.46Å; L129-L181 HydrophobicContact CD2-CD1 4.01Å; L129-L181 PolarHBondContact O-N 3.02Å; F131-L181 HydrophobicContact CE1-CG 4.23Å; A165-L181 VanDerWaalsContact O-CA 3.29Å; A165-L181 WeakPolarHBondContact O-CA 3.3Å; A165-L181 WeakPolarHBondContact O-CD2 3.37Å; I166-L181 HydrophobicContact CD1-CD2 4.25Å; I166-L181 HydrophobicContact CG1-CD2 3.37Å; I166-L181 HydrophobicContact CG1-CG 4.42Å; L181-V214 HydrophobicContact CD1-CG1 3.42Å; L181-V214 VanDerWaalsContact CD1-CG1 3.42Å; L181-V217 HydrophobicContact CD1-CB 4.48Å; L181-V217 HydrophobicContact CD2-CG1 4.45Å; L181-V218 HydrophobicContact CD1-CG1 3.85Å; L181-V218 HydrophobicContact CD1-CG2 4.4Å; L181-V218 HydrophobicContact CD2-CG1 4.27Å; L181-V218 HydrophobicContact CG-CG1 4.16Å
182H87.9Confident90.1Very high66 Ų6655.9 Ų55.931%0.30630%0.302SS..  trans-66.4129.3-178.2-167-83.8000111.5Y124 A165 F180 C184Y124-H182 AromaticContact CZ-CE1 3.64Å; Y124-H182 AromaticContact CZ-NE2 3.93Å; Y124-H182 PolarHBondContact OH-CE1 3.13Å; Y124-H182 PolarHBondContact OH-NE2 3.44Å; A165-H182 PolarHBondContact O-N 3.21Å; F180-H182 HydrophobicContact CE2-CB 4.12Å; F180-H182 AromaticContact CE2-CD2 3.87Å; H182-C184 VanDerWaalsContact C-N 3.31Å; H182-C184 VanDerWaalsContact ND1-CB 3.26Å; H182-C184 WeakPolarHBondContact ND1-CB 3.36Å; H182-C184 PolarHBondContact ND1-N 2.98Å; H182-C184 PolarHBondContact ND1-SG 3.4Å; H182-C184 PolarHBondContact O-N 3.31Å
183P87.3Confident89.7Confident10 Ų1055 Ų557%0.06529%0.291CS..G310 helixtrans-82.13.1-170.833.2-38.1000115.1Y124 V128 R185 T186Y124-P183 HydrophobicContact CD1-CG 4.09Å; Y124-P183 HydrophobicContact CD2-CG 3.42Å; Y124-P183 VanDerWaalsContact CD2-CG 3.42Å; Y124-P183 HydrophobicContact CE1-CG 4.4Å; Y124-P183 HydrophobicContact CE2-CG 3.76Å; Y124-P183 HydrophobicContact CG-CB 4.31Å; Y124-P183 HydrophobicContact CG-CG 3.62Å; V128-P183 HydrophobicContact CG2-CB 3.96Å; V128-P183 HydrophobicContact CG2-CG 3.84Å; P183-R185 PolarHBondContact O-N 2.89Å; P183-T186 WeakPolarHBondContact O-CB 3.29Å; P183-T186 PolarHBondContact O-N 3.23Å; P183-T186 PolarHBondContact O-OG1 2.9Å
184C82.6Confident89.4Confident60 Ų6054.3 Ų54.341%0.40529%0.288SS..G310 helixtrans-55.1-27.6-170.755.30000115.7Y124 H182Y124-C184 HydrophobicContact CE1-CB 4.5Å; H182-C184 VanDerWaalsContact C-N 3.31Å; H182-C184 VanDerWaalsContact ND1-CB 3.26Å; H182-C184 WeakPolarHBondContact ND1-CB 3.36Å; H182-C184 PolarHBondContact ND1-N 2.98Å; H182-C184 PolarHBondContact ND1-SG 3.4Å; H182-C184 PolarHBondContact O-N 3.31Å
185R80.9Confident89.1Confident129 Ų12956.6 Ų56.649%0.48730%0.297SS..G310 helixtrans-994.7178.4-60.9-164-177.1-168.32.3113.8C161 P183 E187 E188 F189C161-R185 VanDerWaalsContact SG-CZ 3.55Å; C161-R185 PolarHBondContact SG-NH2 2.81Å; C161-R185 VanDerWaalsContact SG-NH2 3.44Å; P183-R185 PolarHBondContact O-N 2.89Å; R185-E187 PolarHBondContact O-N 2.91Å; R185-E188 WeakPolarHBondContact O-CB 3.31Å; R185-E188 PolarHBondContact O-N 2.82Å; R185-F189 WeakPolarHBondContact O-CD1 3.38Å; R185-F189 WeakPolarHBondContact O-CE1 3.49Å
186T87.8Confident88.8Confident7 Ų756.1 Ų56.14%0.04329%0.288CS..Hα-helixtrans-60-46.7-177.7-610000111.8A126 P183 E188 F189 M190 W210A126-T186 HydrophobicContact CB-CG2 3.76Å; P183-T186 WeakPolarHBondContact O-CB 3.29Å; P183-T186 PolarHBondContact O-N 3.23Å; P183-T186 PolarHBondContact O-OG1 2.9Å; T186-E188 VanDerWaalsContact C-N 3.29Å; T186-E188 PolarHBondContact O-N 3.28Å; T186-F189 VanDerWaalsContact CA-CE1 3.49Å; T186-F189 HydrophobicContact CG2-CZ 4.36Å; T186-M190 HydrophobicContact CG2-CG 3.99Å; T186-M190 VanDerWaalsContact O-CB 3.23Å; T186-M190 WeakPolarHBondContact O-CB 3.35Å; T186-M190 VanDerWaalsContact O-CG 3.31Å; T186-M190 WeakPolarHBondContact O-CG 2.94Å; T186-M190 PolarHBondContact O-N 3.18Å; T186-W210 VanDerWaalsContact CG2-CD1 3.47Å
187E85.4Confident88.4Confident111 Ų11152.1 Ų52.152%0.51927%0.27SS..Hα-helixtrans-61.9-38.5-179.2-171.2180-166.600112.1S4 R185 F189 G191S4-E187 VanDerWaalsContact CB-OE1 3.31Å; S4-E187 WeakPolarHBondContact CB-OE1 3.43Å; S4-E187 PolarHBondContact OG-OE1 3.05Å; R185-E187 PolarHBondContact O-N 2.91Å; E187-F189 PolarHBondContact O-N 3.49Å; E187-G191 PolarHBondContact O-N 2.6Å
188E85.9Confident88Confident133 Ų13354.4 Ų54.462%0.62127%0.273SS*.Hα-helixtrans-57.7-52.1-176.8-172.3-173166.400111.8R185 T186R185-E188 WeakPolarHBondContact O-CB 3.31Å; R185-E188 PolarHBondContact O-N 2.82Å; T186-E188 VanDerWaalsContact C-N 3.29Å; T186-E188 PolarHBondContact O-N 3.28Å
189F86.1Confident87.7Confident50 Ų5060.5 Ų60.522%0.21931%0.306CS..Hα-helixtrans-83.8-31.8-178.768-100.8000113R185 T186 E187 M193 W210 V213 V214R185-F189 WeakPolarHBondContact O-CD1 3.38Å; R185-F189 WeakPolarHBondContact O-CE1 3.49Å; T186-F189 VanDerWaalsContact CA-CE1 3.49Å; T186-F189 HydrophobicContact CG2-CZ 4.36Å; E187-F189 PolarHBondContact O-N 3.49Å; F189-M193 PolarHBondContact O-N 2.71Å; F189-W210 AromaticContact CE2-CD1 3.92Å; F189-W210 AromaticContact CZ-CD1 3.6Å; F189-V213 HydrophobicContact CD2-CB 4.2Å; F189-V213 HydrophobicContact CD2-CG1 3.91Å; F189-V213 HydrophobicContact CD2-CG2 4.17Å; F189-V213 HydrophobicContact CE2-CB 3.85Å; F189-V213 HydrophobicContact CE2-CG1 3.83Å; F189-V213 HydrophobicContact CE2-CG2 4.18Å; F189-V213 HydrophobicContact CG-CG1 4.32Å; F189-V213 HydrophobicContact CZ-CB 4.42Å; F189-V213 HydrophobicContact CZ-CG1 4.16Å; F189-V214 HydrophobicContact CE1-CG2 4.36Å; F189-V214 HydrophobicContact CE2-CG2 4.45Å; F189-V214 HydrophobicContact CZ-CG2 3.64Å
190M91.2Very high87.3Confident1 Ų166.1 Ų66.11%0.00533%0.333CS..Hα-helixtrans-70.3-36.3178.5-73.4-56.4-62.400112.1T186 L192 M193 L194 Y206 W210T186-M190 HydrophobicContact CG2-CG 3.99Å; T186-M190 VanDerWaalsContact O-CB 3.23Å; T186-M190 WeakPolarHBondContact O-CB 3.35Å; T186-M190 VanDerWaalsContact O-CG 3.31Å; T186-M190 WeakPolarHBondContact O-CG 2.94Å; T186-M190 PolarHBondContact O-N 3.18Å; M190-L192 VanDerWaalsContact C-N 3.31Å; M190-L192 PolarHBondContact O-N 2.83Å; M190-M193 PolarHBondContact O-N 3.22Å; M190-M193 HydrophobicContact SD-SD 4.35Å; M190-L194 WeakPolarHBondContact O-CB 2.91Å; M190-L194 VanDerWaalsContact O-CG 3.31Å; M190-L194 WeakPolarHBondContact O-CG 3.42Å; M190-L194 PolarHBondContact O-N 3.13Å; M190-Y206 HydrophobicContact CB-CE2 4.13Å; M190-Y206 WeakPolarHBondContact CB-OH 3.34Å; M190-Y206 HydrophobicContact CE-CD1 3.77Å; M190-Y206 HydrophobicContact CE-CD2 3.81Å; M190-Y206 HydrophobicContact CE-CE1 3.78Å; M190-Y206 HydrophobicContact CE-CE2 3.87Å; M190-Y206 HydrophobicContact CE-CG 3.76Å; M190-Y206 HydrophobicContact CG-CE1 3.99Å; M190-Y206 HydrophobicContact CG-CE2 4.44Å; M190-W210 HydrophobicContact CE-CB 4.21Å; M190-W210 HydrophobicContact CG-CB 4.38Å; M190-W210 VanDerWaalsContact SD-CA 3.58Å; M190-W210 HydrophobicContact SD-CB 3.74Å
191G89Confident87Confident24 Ų2468.4 Ų68.425%0.24736%0.362CS..Hα-helixtrans-56.4-45.6175.800000112.1E187 L194 Q195E187-G191 PolarHBondContact O-N 2.6Å; G191-L194 PolarHBondContact O-N 3.11Å; G191-Q195 WeakPolarHBondContact O-CB 3.45Å; G191-Q195 PolarHBondContact O-N 2.6Å
192L87.6Confident86.8Confident120 Ų12072.9 Ų72.963%0.62838%0.378SS*.Hα-helixtrans-63.9-43176.8-63.1175.4000112.2M190 A196M190-L192 VanDerWaalsContact C-N 3.31Å; M190-L192 PolarHBondContact O-N 2.83Å; L192-A196 WeakPolarHBondContact O-CB 3.37Å; L192-A196 PolarHBondContact O-N 3.11Å
193M86Confident86.6Confident63 Ų6376 Ų7631%0.3140%0.404SS..Hα-helixtrans-65.1-42.4178.9-78.6-165.864.800112.9F189 M190 A197 V213F189-M193 PolarHBondContact O-N 2.71Å; M190-M193 PolarHBondContact O-N 3.22Å; M190-M193 HydrophobicContact SD-SD 4.35Å; M193-A197 WeakPolarHBondContact O-CB 3.25Å; M193-A197 PolarHBondContact O-N 3.03Å; M193-A197 VanDerWaalsContact O-N 3.09Å; M193-V213 HydrophobicContact SD-CG2 3.94Å
194L88Confident86.7Confident32 Ų3278 Ų7817%0.16842%0.416CS..Hα-helixtrans-67.7-42.3178.7-71.1177.6000111.2M190 G191 A197 Q198 V204 Y206M190-L194 WeakPolarHBondContact O-CB 2.91Å; M190-L194 VanDerWaalsContact O-CG 3.31Å; M190-L194 WeakPolarHBondContact O-CG 3.42Å; M190-L194 PolarHBondContact O-N 3.13Å; G191-L194 PolarHBondContact O-N 3.11Å; L194-A197 WeakPolarHBondContact O-CB 3.48Å; L194-A197 PolarHBondContact O-N 3.27Å; L194-A197 VanDerWaalsContact O-N 3.15Å; L194-Q198 WeakPolarHBondContact O-CG 3.42Å; L194-Q198 PolarHBondContact O-N 2.98Å; L194-V204 HydrophobicContact CD2-CB 4.48Å; L194-V204 HydrophobicContact CD2-CG1 4.28Å; L194-Y206 HydrophobicContact CD1-CD2 3.81Å; L194-Y206 HydrophobicContact CD1-CE2 3.68Å; L194-Y206 HydrophobicContact CD2-CD2 4.23Å; L194-Y206 HydrophobicContact CG-CD2 4.41Å
195Q88.4Confident87.2Confident117 Ų11776.2 Ų76.255%0.54740%0.402SS..Hα-helixtrans-58.9-50.9176-174.4173.87.400111.1G191 A197 Q198 D199G191-Q195 WeakPolarHBondContact O-CB 3.45Å; G191-Q195 PolarHBondContact O-N 2.6Å; Q195-A197 PolarHBondContact O-N 2.71Å; Q195-A197 VanDerWaalsContact O-N 3.16Å; Q195-Q198 PolarHBondContact O-N 2.7Å; Q195-Q198 VanDerWaalsContact O-N 3.11Å; Q195-D199 VanDerWaalsContact O-CG 3.31Å; Q195-D199 PolarHBondContact O-N 2.88Å
196A87.9Confident87.9Confident38 Ų3870.8 Ų70.831%0.31438%0.382SS..Hα-helixtrans-59.5-30.4177.400000113L192 Q200L192-A196 WeakPolarHBondContact O-CB 3.37Å; L192-A196 PolarHBondContact O-N 3.11Å; A196-Q200 VanDerWaalsContact O-CG 3.29Å; A196-Q200 WeakPolarHBondContact O-CG 3.29Å; A196-Q200 PolarHBondContact O-N 3.32Å
197A87.5Confident88.3Confident3 Ų370.5 Ų70.53%0.02538%0.38CS..Hα-helixtrans-76.1-39.517600000113.6M193 L194 Q195 D199 Q200 G201 R202 V204M193-A197 WeakPolarHBondContact O-CB 3.25Å; M193-A197 PolarHBondContact O-N 3.03Å; M193-A197 VanDerWaalsContact O-N 3.09Å; L194-A197 WeakPolarHBondContact O-CB 3.48Å; L194-A197 PolarHBondContact O-N 3.27Å; L194-A197 VanDerWaalsContact O-N 3.15Å; Q195-A197 PolarHBondContact O-N 2.71Å; Q195-A197 VanDerWaalsContact O-N 3.16Å; A197-D199 VanDerWaalsContact C-N 3.33Å; A197-Q200 CarbonylContact O-C 3.5Å; A197-Q200 PolarHBondContact O-N 3.3Å; A197-G201 PolarHBondContact O-N 2.71Å; A197-R202 VanDerWaalsContact CA-NE 3.33Å; A197-R202 HydrophobicContact CB-CG 3.64Å; A197-R202 VanDerWaalsContact CB-NE 3.28Å; A197-R202 PolarHBondContact O-N 3.35Å; A197-R202 VanDerWaalsContact O-N 3.08Å; A197-V204 HydrophobicContact CB-CG2 3.21Å
198Q87.1Confident88.7Confident130 Ų13066.2 Ų66.261%0.60736%0.361SS*.Hα-helixtrans-62.2-43.4175-69.1-138.20.500111.2C3 L194 Q195 Q200 G201C3-Q198 PolarHBondContact SG-NE2 2.78Å; L194-Q198 WeakPolarHBondContact O-CG 3.42Å; L194-Q198 PolarHBondContact O-N 2.98Å; Q195-Q198 PolarHBondContact O-N 2.7Å; Q195-Q198 VanDerWaalsContact O-N 3.11Å; Q198-Q200 PolarHBondContact O-N 3.2Å; Q198-Q200 VanDerWaalsContact O-N 3.16Å; Q198-G201 PolarHBondContact O-N 3.3Å
199D89Confident89.1Confident131 Ų13160.9 Ų60.970%0.70134%0.338SS*.Hα-helixtrans-59.7-28.2177.3-65.5-20.7000112.4Q195 A197Q195-D199 VanDerWaalsContact O-CG 3.31Å; Q195-D199 PolarHBondContact O-N 2.88Å; A197-D199 VanDerWaalsContact C-N 3.33Å
200Q87.8Confident89.5Confident127 Ų12758.7 Ų58.759%0.59333%0.328SS*.THydrogen-bonded Turntrans-95-1.8178.3-66.4176.75.900113.6A196 A197 Q198 R202A196-Q200 VanDerWaalsContact O-CG 3.29Å; A196-Q200 WeakPolarHBondContact O-CG 3.29Å; A196-Q200 PolarHBondContact O-N 3.32Å; A197-Q200 CarbonylContact O-C 3.5Å; A197-Q200 PolarHBondContact O-N 3.3Å; Q198-Q200 PolarHBondContact O-N 3.2Å; Q198-Q200 VanDerWaalsContact O-N 3.16Å; Q200-R202 HydrophobicContact CB-CG 4.34Å; Q200-R202 PolarHBondContact O-N 3.45Å
201G85.2Confident89.7Confident69 Ų6958.7 Ų58.771%0.71133%0.328SS*.THydrogen-bonded Turntrans60.123-17600000114.1A197 Q198A197-G201 PolarHBondContact O-N 2.71Å; Q198-G201 PolarHBondContact O-N 3.3Å
202R83.6Confident89.9Confident110 Ų11060 Ų6042%0.41533%0.333SS..  trans-92.7134.4-176.272.2-174.2-178.1-171.80.7110.7A197 Q200 V204A197-R202 VanDerWaalsContact CA-NE 3.33Å; A197-R202 HydrophobicContact CB-CG 3.64Å; A197-R202 VanDerWaalsContact CB-NE 3.28Å; A197-R202 PolarHBondContact O-N 3.35Å; A197-R202 VanDerWaalsContact O-N 3.08Å; Q200-R202 HydrophobicContact CB-CG 4.34Å; Q200-R202 PolarHBondContact O-N 3.45Å; R202-V204 HydrophobicContact CG-CG2 4.26Å
203P85.5Confident90.1Very high131 Ų13157.2 Ų57.285%0.85132%0.321SS*.  trans-67.3143.8170.429-33.5000110.1
204V88.7Confident90.3Very high51 Ų5155.1 Ų55.131%0.30931%0.312SS..  trans-129.9133-179.8-179.80000109.7L194 A197 R202 S209L194-V204 HydrophobicContact CD2-CB 4.48Å; L194-V204 HydrophobicContact CD2-CG1 4.28Å; A197-V204 HydrophobicContact CB-CG2 3.21Å; R202-V204 HydrophobicContact CG-CG2 4.26Å; V204-S209 WeakPolarHBondContact CG1-OG 3.42Å
205N93.4Very high90.6Very high23 Ų2353.6 Ų53.612%0.12330%0.304CS..  trans-85.1110.1162.6-178.7-37.5000107.9C14 V207 L208 S209C14-N205 WeakPolarHBondContact CB-OD1 3.49Å; C14-N205 PolarHBondContact O-ND2 3.49Å; N205-V207 PolarHBondContact OD1-N 3.11Å; N205-L208 HydrophobicContact CB-CB 3.88Å; N205-L208 HydrophobicContact CB-CD2 4.37Å; N205-L208 PolarHBondContact O-N 3.11Å; N205-L208 PolarHBondContact OD1-N 2.87Å; N205-S209 WeakPolarHBondContact O-CB 3.4Å; N205-S209 PolarHBondContact O-N 2.76Å; N205-S209 PolarHBondContact O-OG 2.8Å
206Y94.4Very high90.7Very high16 Ų1649.5 Ų49.56%0.06329%0.288CS..Hα-helixtrans-58.2-51.3-176-172.4-68.9000111L6 P127 M190 L194 L208 S209 W210L6-Y206 HydrophobicContact CB-CD2 4.5Å; L6-Y206 HydrophobicContact CB-CE1 4.4Å; L6-Y206 HydrophobicContact CB-CE2 4.26Å; L6-Y206 HydrophobicContact CD1-CD1 4.24Å; L6-Y206 HydrophobicContact CD1-CD2 4.1Å; L6-Y206 HydrophobicContact CD1-CG 3.86Å; L6-Y206 HydrophobicContact CD2-CD1 3.76Å; L6-Y206 HydrophobicContact CD2-CE1 4.04Å; L6-Y206 HydrophobicContact CD2-CG 4.25Å; L6-Y206 HydrophobicContact CG-CD1 4.43Å; L6-Y206 HydrophobicContact CG-CG 4.5Å; P127-Y206 HydrophobicContact CG-CD1 4.39Å; P127-Y206 HydrophobicContact CG-CE1 4.05Å; M190-Y206 HydrophobicContact CB-CE2 4.13Å; M190-Y206 WeakPolarHBondContact CB-OH 3.34Å; M190-Y206 HydrophobicContact CE-CD1 3.77Å; M190-Y206 HydrophobicContact CE-CD2 3.81Å; M190-Y206 HydrophobicContact CE-CE1 3.78Å; M190-Y206 HydrophobicContact CE-CE2 3.87Å; M190-Y206 HydrophobicContact CE-CG 3.76Å; M190-Y206 HydrophobicContact CG-CE1 3.99Å; M190-Y206 HydrophobicContact CG-CE2 4.44Å; L194-Y206 HydrophobicContact CD1-CD2 3.81Å; L194-Y206 HydrophobicContact CD1-CE2 3.68Å; L194-Y206 HydrophobicContact CD2-CD2 4.23Å; L194-Y206 HydrophobicContact CG-CD2 4.41Å; Y206-L208 PolarHBondContact O-N 3.13Å; Y206-S209 PolarHBondContact O-N 3.15Å; Y206-W210 HydrophobicContact CD1-CB 4.38Å; Y206-W210 HydrophobicContact CE1-CB 4.34Å; Y206-W210 VanDerWaalsContact O-CB 3.3Å; Y206-W210 WeakPolarHBondContact O-CB 3.5Å; Y206-W210 PolarHBondContact O-N 2.87Å
207V95.9Very high90.7Very high0 Ų048.9 Ų48.90%028%0.28CS..Hα-helixtrans-62.6-44.6-176174.90000110.8L6 F11 C14 L18 L42 I118 N205 S209 W210 L211L6-V207 HydrophobicContact CD2-CG2 4.46Å; F11-V207 HydrophobicContact CD2-CG2 3.56Å; F11-V207 HydrophobicContact CE2-CG2 3.85Å; F11-V207 HydrophobicContact CG-CG2 4.49Å; C14-V207 HydrophobicContact CB-CB 3.84Å; C14-V207 HydrophobicContact CB-CG2 3.5Å; C14-V207 VanDerWaalsContact CB-CG2 3.5Å; L18-V207 HydrophobicContact CD1-CG1 4.34Å; L42-V207 HydrophobicContact CD1-CG1 4.14Å; I118-V207 HydrophobicContact CG2-CG1 4.49Å; N205-V207 PolarHBondContact OD1-N 3.11Å; V207-S209 PolarHBondContact O-N 3.12Å; V207-W210 PolarHBondContact O-N 3.36Å; V207-L211 WeakPolarHBondContact O-CB 3.27Å; V207-L211 PolarHBondContact O-N 3.25Å
208L95.3Very high90.9Very high22 Ų2248.9 Ų48.912%0.11528%0.279CS..Hα-helixtrans-64.3-40.9177.4177.964.9000112.4L18 N205 Y206 L211 S212 V222 Y226L18-L208 HydrophobicContact CD1-CB 4.41Å; L18-L208 HydrophobicContact CD1-CD1 4.32Å; N205-L208 HydrophobicContact CB-CB 3.88Å; N205-L208 HydrophobicContact CB-CD2 4.37Å; N205-L208 PolarHBondContact O-N 3.11Å; N205-L208 PolarHBondContact OD1-N 2.87Å; Y206-L208 PolarHBondContact O-N 3.13Å; L208-L211 PolarHBondContact O-N 3.44Å; L208-S212 PolarHBondContact O-N 2.95Å; L208-S212 PolarHBondContact O-OG 2.73Å; L208-V222 HydrophobicContact CD1-CG1 3.66Å; L208-Y226 HydrophobicContact CD1-CD1 3.64Å; L208-Y226 HydrophobicContact CD1-CE1 4.33Å; L208-Y226 HydrophobicContact CD1-CG 3.78Å; L208-Y226 HydrophobicContact CD2-CD1 4.03Å; L208-Y226 HydrophobicContact CD2-CG 4.35Å; L208-Y226 HydrophobicContact CG-CD1 4.49Å
209S93.3Very high91Very high21 Ų2143.2 Ų43.215%0.14726%0.256CS..Hα-helixtrans-66.7-45.5178.6-630000111.4V204 N205 Y206 V207 L211 S212 V213V204-S209 WeakPolarHBondContact CG1-OG 3.42Å; N205-S209 WeakPolarHBondContact O-CB 3.4Å; N205-S209 PolarHBondContact O-N 2.76Å; N205-S209 PolarHBondContact O-OG 2.8Å; Y206-S209 PolarHBondContact O-N 3.15Å; V207-S209 PolarHBondContact O-N 3.12Å; S209-L211 VanDerWaalsContact C-N 3.33Å; S209-L211 PolarHBondContact O-N 3.44Å; S209-S212 WeakPolarHBondContact O-CB 3.37Å; S209-S212 PolarHBondContact O-N 2.81Å; S209-V213 PolarHBondContact O-N 3.39Å
210W95Very high91.3Very high4 Ų437.1 Ų37.12%0.01522%0.224CC..Hα-helixtrans-57.4-46.4171.8167.986.3000111.6I118 P127 L129 T186 F189 M190 Y206 V207 S212 V213 V214I118-W210 HydrophobicContact CB-CZ3 4.42Å; I118-W210 HydrophobicContact CD1-CZ3 4.02Å; I118-W210 HydrophobicContact CG1-CH2 4.39Å; I118-W210 HydrophobicContact CG1-CZ3 4.01Å; I118-W210 HydrophobicContact CG2-CE3 4.5Å; I118-W210 HydrophobicContact CG2-CH2 3.87Å; I118-W210 HydrophobicContact CG2-CZ3 3.54Å; P127-W210 HydrophobicContact CB-CD2 3.87Å; P127-W210 HydrophobicContact CB-CE3 3.82Å; P127-W210 HydrophobicContact CB-CH2 3.95Å; P127-W210 HydrophobicContact CB-CZ2 4.01Å; P127-W210 HydrophobicContact CB-CZ3 3.88Å; P127-W210 HydrophobicContact CG-CB 4.11Å; P127-W210 HydrophobicContact CG-CD2 3.3Å; P127-W210 HydrophobicContact CG-CE3 3.71Å; P127-W210 HydrophobicContact CG-CG 3.47Å; P127-W210 VanDerWaalsContact CG-CG 3.47Å; P127-W210 HydrophobicContact CG-CH2 4.41Å; P127-W210 HydrophobicContact CG-CZ2 4.09Å; P127-W210 HydrophobicContact CG-CZ3 4.26Å; P127-W210 WeakPolarHBondContact O-CZ2 3.31Å; L129-W210 HydrophobicContact CB-CH2 3.76Å; L129-W210 HydrophobicContact CB-CZ2 4.23Å; T186-W210 VanDerWaalsContact CG2-CD1 3.47Å; F189-W210 AromaticContact CE2-CD1 3.92Å; F189-W210 AromaticContact CZ-CD1 3.6Å; M190-W210 HydrophobicContact CE-CB 4.21Å; M190-W210 HydrophobicContact CG-CB 4.38Å; M190-W210 VanDerWaalsContact SD-CA 3.58Å; M190-W210 HydrophobicContact SD-CB 3.74Å; Y206-W210 HydrophobicContact CD1-CB 4.38Å; Y206-W210 HydrophobicContact CE1-CB 4.34Å; Y206-W210 VanDerWaalsContact O-CB 3.3Å; Y206-W210 WeakPolarHBondContact O-CB 3.5Å; Y206-W210 PolarHBondContact O-N 2.87Å; V207-W210 PolarHBondContact O-N 3.36Å; W210-S212 PolarHBondContact O-N 3.33Å; W210-V213 PolarHBondContact O-N 2.9Å; W210-V214 HydrophobicContact CD2-CB 4.41Å; W210-V214 HydrophobicContact CD2-CG2 4.23Å; W210-V214 HydrophobicContact CG-CG2 4.32Å; W210-V214 HydrophobicContact CH2-CG1 4.42Å; W210-V214 HydrophobicContact CZ2-CB 4.19Å; W210-V214 HydrophobicContact CZ2-CG1 3.92Å; W210-V214 HydrophobicContact CZ2-CG2 4.23Å; W210-V214 PolarHBondContact O-N 3.03Å
211L95.4Very high91.4Very high1 Ų136.8 Ų36.81%0.00523%0.226CC..Hα-helixtrans-63-33.3-179.3-173.562.3000112L18 W29 I118 V207 L208 S209 V213 V214 G215 L220 V222L18-L211 HydrophobicContact CD1-CD2 4.21Å; W29-L211 HydrophobicContact CH2-CD2 3.96Å; W29-L211 HydrophobicContact CZ2-CD2 3.57Å; I118-L211 HydrophobicContact CD1-CD1 3.68Å; I118-L211 HydrophobicContact CD1-CD2 4Å; I118-L211 HydrophobicContact CD1-CG 4.38Å; V207-L211 WeakPolarHBondContact O-CB 3.27Å; V207-L211 PolarHBondContact O-N 3.25Å; L208-L211 PolarHBondContact O-N 3.44Å; S209-L211 VanDerWaalsContact C-N 3.33Å; S209-L211 PolarHBondContact O-N 3.44Å; L211-V213 PolarHBondContact O-N 2.84Å; L211-V214 PolarHBondContact O-N 2.79Å; L211-G215 WeakPolarHBondContact O-CA 3.28Å; L211-G215 PolarHBondContact O-N 3.23Å; L211-L220 HydrophobicContact CD1-CD2 3.68Å; L211-V222 HydrophobicContact CB-CG2 4.29Å; L211-V222 HydrophobicContact CD2-CG2 3.95Å; L211-V222 HydrophobicContact CG-CG2 3.66Å
212S93.3Very high91.7Very high50 Ų5035 Ų3535%0.3520%0.201SC..Hα-helixtrans-66.8-22.7176.7-57.10000112.7L208 S209 W210L208-S212 PolarHBondContact O-N 2.95Å; L208-S212 PolarHBondContact O-OG 2.73Å; S209-S212 WeakPolarHBondContact O-CB 3.37Å; S209-S212 PolarHBondContact O-N 2.81Å; W210-S212 PolarHBondContact O-N 3.33Å
213V90.5Very high92.2Very high63 Ų6331.9 Ų31.938%0.38220%0.195SC..Hα-helixtrans-92.1-44.7175.7179.60000111.1F189 M193 S209 W210 L211F189-V213 HydrophobicContact CD2-CB 4.2Å; F189-V213 HydrophobicContact CD2-CG1 3.91Å; F189-V213 HydrophobicContact CD2-CG2 4.17Å; F189-V213 HydrophobicContact CE2-CB 3.85Å; F189-V213 HydrophobicContact CE2-CG1 3.83Å; F189-V213 HydrophobicContact CE2-CG2 4.18Å; F189-V213 HydrophobicContact CG-CG1 4.32Å; F189-V213 HydrophobicContact CZ-CB 4.42Å; F189-V213 HydrophobicContact CZ-CG1 4.16Å; M193-V213 HydrophobicContact SD-CG2 3.94Å; S209-V213 PolarHBondContact O-N 3.39Å; W210-V213 PolarHBondContact O-N 2.9Å; L211-V213 PolarHBondContact O-N 2.84Å
214V91.8Very high92.4Very high18 Ų1832.5 Ų32.511%0.10919%0.19CC..Hα-helixtrans-85.6-36.8-171.6176.60000112.8L129 L181 F189 W210 L211 V217L129-V214 HydrophobicContact CB-CG1 4.32Å; L129-V214 HydrophobicContact CD2-CG1 4.12Å; L181-V214 HydrophobicContact CD1-CG1 3.42Å; L181-V214 VanDerWaalsContact CD1-CG1 3.42Å; F189-V214 HydrophobicContact CE1-CG2 4.36Å; F189-V214 HydrophobicContact CE2-CG2 4.45Å; F189-V214 HydrophobicContact CZ-CG2 3.64Å; W210-V214 HydrophobicContact CD2-CB 4.41Å; W210-V214 HydrophobicContact CD2-CG2 4.23Å; W210-V214 HydrophobicContact CG-CG2 4.32Å; W210-V214 HydrophobicContact CH2-CG1 4.42Å; W210-V214 HydrophobicContact CZ2-CB 4.19Å; W210-V214 HydrophobicContact CZ2-CG1 3.92Å; W210-V214 HydrophobicContact CZ2-CG2 4.23Å; W210-V214 PolarHBondContact O-N 3.03Å; L211-V214 PolarHBondContact O-N 2.79Å; V214-V217 VanDerWaalsContact O-CB 3.3Å; V214-V217 WeakPolarHBondContact O-CB 3.4Å; V214-V217 WeakPolarHBondContact O-CG2 3.41Å; V214-V217 PolarHBondContact O-N 2.99Å
215G93.2Very high92.6Very high0 Ų035.3 Ų35.30%020%0.2CC..G310 helixtrans-55.3-51.2-177.400000113.9L211 V217 V218 G219 L220L211-G215 WeakPolarHBondContact O-CA 3.28Å; L211-G215 PolarHBondContact O-N 3.23Å; G215-V217 PolarHBondContact O-N 3.15Å; G215-V218 CarbonylContact O-C 3.54Å; G215-V218 WeakPolarHBondContact O-CG2 3.39Å; G215-V218 PolarHBondContact O-N 3.34Å; G215-G219 PolarHBondContact O-N 2.8Å; G215-L220 CarbonylContact C-O 3.58Å; G215-L220 WeakPolarHBondContact CA-O 3.49Å; G215-L220 PolarHBondContact O-N 3.29Å
216P91.2Very high92.5Very high32 Ų3235 Ų3521%0.20820%0.197CC..G310 helixtrans-57.8-26.8-177.8-29.537000114.4Y154 V218 G219Y154-P216 HydrophobicContact CE2-CB 4.41Å; Y154-P216 VanDerWaalsContact CE2-O 3.25Å; Y154-P216 WeakPolarHBondContact CE2-O 3.49Å; Y154-P216 WeakPolarHBondContact OH-CB 3.44Å; P216-V218 PolarHBondContact O-N 2.83Å; P216-G219 PolarHBondContact O-N 3.28Å
217V88.6Confident92Very high25 Ų2538.9 Ų38.915%0.15223%0.225CC..G310 helixtrans-58.1-35.1177.3-177.30000111.6I150 Y154 L158 L181 V214 G215I150-V217 WeakPolarHBondContact CG2-O 3.26Å; Y154-V217 HydrophobicContact CD1-CG2 4.35Å; Y154-V217 HydrophobicContact CE1-CG2 4.47Å; L158-V217 HydrophobicContact CD1-CG1 3.74Å; L158-V217 HydrophobicContact CD2-CG1 3.91Å; L158-V217 HydrophobicContact CG-CG1 4.31Å; L181-V217 HydrophobicContact CD1-CB 4.48Å; L181-V217 HydrophobicContact CD2-CG1 4.45Å; V214-V217 VanDerWaalsContact O-CB 3.3Å; V214-V217 WeakPolarHBondContact O-CB 3.4Å; V214-V217 WeakPolarHBondContact O-CG2 3.41Å; V214-V217 PolarHBondContact O-N 2.99Å; G215-V217 PolarHBondContact O-N 3.15Å
218V90.4Very high91.3Very high2 Ų242.4 Ų42.41%0.01225%0.247CC..G310 helixtrans-112.721.3178.7-64.70000111.7Y116 L129 F131 I166 L181 G215 P216 L220Y116-V218 HydrophobicContact CD1-CG2 4.37Å; Y116-V218 HydrophobicContact CE1-CB 4.39Å; Y116-V218 HydrophobicContact CE1-CG2 3.78Å; Y116-V218 PolarHBondContact OH-O 3.05Å; L129-V218 HydrophobicContact CD2-CG2 3.45Å; L129-V218 VanDerWaalsContact CD2-CG2 3.45Å; F131-V218 HydrophobicContact CD1-CG1 4.38Å; F131-V218 HydrophobicContact CD2-CB 4.41Å; F131-V218 HydrophobicContact CD2-CG1 4.47Å; F131-V218 HydrophobicContact CE1-CG1 3.74Å; F131-V218 HydrophobicContact CE2-CB 4.12Å; F131-V218 HydrophobicContact CE2-CG1 3.81Å; F131-V218 HydrophobicContact CZ-CB 4.2Å; F131-V218 HydrophobicContact CZ-CG1 3.42Å; F131-V218 VanDerWaalsContact CZ-CG1 3.42Å; I166-V218 HydrophobicContact CD1-CG1 4.09Å; L181-V218 HydrophobicContact CD1-CG1 3.85Å; L181-V218 HydrophobicContact CD1-CG2 4.4Å; L181-V218 HydrophobicContact CD2-CG1 4.27Å; L181-V218 HydrophobicContact CG-CG1 4.16Å; G215-V218 CarbonylContact O-C 3.54Å; G215-V218 WeakPolarHBondContact O-CG2 3.39Å; G215-V218 PolarHBondContact O-N 3.34Å; P216-V218 PolarHBondContact O-N 2.83Å; V218-L220 VanDerWaalsContact C-N 3.28Å; V218-L220 PolarHBondContact O-N 2.89Å
219G90.4Very high90Very high11 Ų1146.8 Ų46.811%0.11328%0.277CS..THydrogen-bonded Turntrans69.82017600000115.4R48 G215 P216R48-G219 WeakPolarHBondContact CD-O 3.18Å; R48-G219 PolarHBondContact NE-O 2.81Å; G215-G219 PolarHBondContact O-N 2.8Å; P216-G219 PolarHBondContact O-N 3.28Å
220L93.4Very high88.4Confident4 Ų451 Ų512%0.02130%0.297CS..  trans-87.6105.4171.2174.758.7000109.6W29 K44 Y116 L211 G215 V218W29-L220 HydrophobicContact CH2-CD2 3.88Å; W29-L220 HydrophobicContact CZ2-CD1 4.25Å; W29-L220 HydrophobicContact CZ2-CD2 4.05Å; K44-L220 HydrophobicContact CD-CD1 4.12Å; Y116-L220 HydrophobicContact CD1-CB 4.28Å; Y116-L220 HydrophobicContact CD1-CD2 4.07Å; Y116-L220 HydrophobicContact CD2-CD1 3.92Å; Y116-L220 HydrophobicContact CD2-CD2 4.23Å; Y116-L220 HydrophobicContact CD2-CG 4.46Å; Y116-L220 HydrophobicContact CE1-CB 3.89Å; Y116-L220 HydrophobicContact CE2-CB 4.1Å; Y116-L220 HydrophobicContact CE2-CD1 3.9Å; Y116-L220 HydrophobicContact CE2-CG 4.43Å; Y116-L220 HydrophobicContact CG-CD1 4.46Å; Y116-L220 HydrophobicContact CG-CD2 3.93Å; L211-L220 HydrophobicContact CD1-CD2 3.68Å; G215-L220 CarbonylContact C-O 3.58Å; G215-L220 WeakPolarHBondContact CA-O 3.49Å; G215-L220 PolarHBondContact O-N 3.29Å; V218-L220 VanDerWaalsContact C-N 3.28Å; V218-L220 PolarHBondContact O-N 2.89Å
221D91.1Very high86.5Confident120 Ų12059.6 Ų59.664%0.64234%0.337SS*.  trans-82.3135.8178.4-64.8-39000111.7
222V92.2Very high84.3Confident32 Ų3264.3 Ų64.319%0.19437%0.37CS..  trans-104.1110.2171.7-176.90000108.4L208 L211 L224 Y226L208-V222 HydrophobicContact CD1-CG1 3.66Å; L211-V222 HydrophobicContact CB-CG2 4.29Å; L211-V222 HydrophobicContact CD2-CG2 3.95Å; L211-V222 HydrophobicContact CG-CG2 3.66Å; V222-L224 PolarHBondContact O-N 3.38Å; V222-Y226 HydrophobicContact CG1-CD2 4.04Å; V222-Y226 HydrophobicContact CG1-CG 4.32Å
223P92.7Very high82Confident43 Ų4366.5 Ų66.528%0.27939%0.391SS..  trans-57.1138179.9-25.833000112.6Q225 Y226P223-Q225 HydrophobicContact CB-CB 4.46Å; P223-Q225 PolarHBondContact O-N 3.49Å; P223-Y226 HydrophobicContact CB-CD2 4.2Å; P223-Y226 HydrophobicContact CG-CD2 4.33Å; P223-Y226 HydrophobicContact CG-CE2 4.23Å; P223-Y226 WeakPolarHBondContact O-CB 3.27Å; P223-Y226 WeakPolarHBondContact O-CD2 3.48Å; P223-Y226 PolarHBondContact O-N 3.22Å
224L90.9Very high79.8Confident145 Ų14569.4 Ų69.476%0.75941%0.409SS*.G310 helixtrans-59.3-18.3176.5-64.5178.8000113.5V222 Y226 C227V222-L224 PolarHBondContact O-N 3.38Å; L224-Y226 PolarHBondContact O-N 2.79Å; L224-C227 WeakPolarHBondContact O-CB 3.35Å; L224-C227 PolarHBondContact O-N 2.81Å
225Q92.5Very high77.5Confident109 Ų10973.3 Ų73.351%0.50944%0.437SS..G310 helixtrans-61.4-20.4174.2-61.8161.46.300112.2R21 L25 P223 C227 T228R21-Q225 VanDerWaalsContact CZ-O 3.28Å; R21-Q225 PolarHBondContact NE-O 3Å; R21-Q225 PolarHBondContact NH2-O 3.42Å; L25-Q225 HydrophobicContact CD1-CB 4.13Å; L25-Q225 HydrophobicContact CD2-CB 3.81Å; P223-Q225 HydrophobicContact CB-CB 4.46Å; P223-Q225 PolarHBondContact O-N 3.49Å; Q225-C227 PolarHBondContact O-N 2.81Å; Q225-T228 PolarHBondContact O-N 3.02Å; Q225-T228 PolarHBondContact O-OG1 3.31Å
226Y91.1Very high75.2Confident18 Ų1881.6 Ų81.67%0.07148%0.48CS..G310 helixtrans-67.2-20.9169.9-82.4-85.9000113.4L18 R21 S22 L25 D27 W29 L208 V222 P223 L224L18-Y226 HydrophobicContact CG-CE1 4.19Å; R21-Y226 HydrophobicContact CB-CD1 3.92Å; R21-Y226 HydrophobicContact CB-CE1 3.76Å; R21-Y226 HydrophobicContact CG-CD1 3.41Å; R21-Y226 VanDerWaalsContact CG-CD1 3.41Å; R21-Y226 HydrophobicContact CG-CE1 3.6Å; R21-Y226 HydrophobicContact CG-CG 4.16Å; S22-Y226 WeakPolarHBondContact CA-OH 3.45Å; S22-Y226 WeakPolarHBondContact CB-OH 3.44Å; L25-Y226 HydrophobicContact CD1-CD1 4.47Å; L25-Y226 HydrophobicContact CD1-CD2 3.61Å; L25-Y226 HydrophobicContact CD1-CE1 4.27Å; L25-Y226 HydrophobicContact CD1-CE2 3.36Å; L25-Y226 HydrophobicContact CD1-CG 4.17Å; D27-Y226 PolarHBondContact OD1-OH 2.97Å; D27-Y226 WeakPolarHBondContact OD2-CE2 3.39Å; D27-Y226 PolarHBondContact OD2-OH 3.35Å; W29-Y226 VanDerWaalsContact CD1-OH 3.22Å; L208-Y226 HydrophobicContact CD1-CD1 3.64Å; L208-Y226 HydrophobicContact CD1-CE1 4.33Å; L208-Y226 HydrophobicContact CD1-CG 3.78Å; L208-Y226 HydrophobicContact CD2-CD1 4.03Å; L208-Y226 HydrophobicContact CD2-CG 4.35Å; L208-Y226 HydrophobicContact CG-CD1 4.49Å; V222-Y226 HydrophobicContact CG1-CD2 4.04Å; V222-Y226 HydrophobicContact CG1-CG 4.32Å; P223-Y226 HydrophobicContact CB-CD2 4.2Å; P223-Y226 HydrophobicContact CG-CD2 4.33Å; P223-Y226 HydrophobicContact CG-CE2 4.23Å; P223-Y226 WeakPolarHBondContact O-CB 3.27Å; P223-Y226 WeakPolarHBondContact O-CD2 3.48Å; P223-Y226 PolarHBondContact O-N 3.22Å; L224-Y226 PolarHBondContact O-N 2.79Å
227C83.6Confident73.1Confident96 Ų9687.2 Ų87.265%0.64951%0.509SS*.G310 helixtrans-95.1-9.7179.7-590000113.4L224 Q225L224-C227 WeakPolarHBondContact O-CB 3.35Å; L224-C227 PolarHBondContact O-N 2.81Å; Q225-C227 PolarHBondContact O-N 2.81Å
228T80.8Confident71.3Confident75 Ų7591.3 Ų91.346%0.4654%0.538SS..SBendtrans-83.5127.2-178.851.20000110.8R21 Q225 L230R21-T228 PolarHBondContact NH2-O 2.83Å; R21-T228 PolarHBondContact NH2-OG1 3.21Å; Q225-T228 PolarHBondContact O-N 3.02Å; Q225-T228 PolarHBondContact O-OG1 3.31Å; T228-L230 PolarHBondContact O-N 3.3Å
229P69.1Low68.9Low113 Ų11397.8 Ų97.873%0.73458%0.578SS**PPolyproline II helixtrans-58.1136.2169.9-19.530.6000109.5H231P229-H231 PolarHBondContact O-N 3Å
230L59.9Low66.7Low110 Ų110106.4 Ų106.458%0.57661%0.612SS**PPolyproline II helixtrans-64.3119.7168.6-79.3165.5000108.6R21 Q24 T228 S232R21-L230 VanDerWaalsContact NH1-CG 3.27Å; Q24-L230 VanDerWaalsContact OE1-CD1 3.28Å; T228-L230 PolarHBondContact O-N 3.3Å; L230-S232 PolarHBondContact O-N 2.89Å
231H55.4Low64.8Low185 Ų185110.9 Ų110.986%0.85664%0.642SS**  trans-63.2108.8158.9-76.5-91.4000106.5P229 A233P229-H231 PolarHBondContact O-N 3Å; H231-A233 PolarHBondContact O-N 3.16Å
232S47.7Very low62.7Low100 Ų100116 Ų11670%0.69967%0.669SS**  trans-55.3116.6166.131.80000107L230 V234L230-S232 PolarHBondContact O-N 2.89Å; S232-V234 PolarHBondContact O-N 3.13Å
233A45.7Very low61.3Low96 Ų96120.2 Ų120.279%0.79369%0.693SS**  trans-62.393.2168.800000106.8H231 S235H231-A233 PolarHBondContact O-N 3.16Å; A233-S235 PolarHBondContact O-N 3.25Å
234V43.9Very low59.6Low124 Ų124124.2 Ų124.275%0.75271%0.714SS**  trans-62.8110.9169.4174.10000105.6S232 L236S232-V234 PolarHBondContact O-N 3.13Å; V234-L236 PolarHBondContact O-N 2.99Å
235S44.4Very low57.9Low99 Ų99123.1 Ų123.169%0.69271%0.712SS**  trans-47.8108.7172.8-50.70000109.6A233 N237A233-S235 PolarHBondContact O-N 3.25Å; S235-N237 PolarHBondContact O-N 2.9Å
236L44.1Very low55.8Low174 Ų174123.9 Ų123.991%0.91172%0.724SS**  trans-70.173.8164.7-81.6157.7000108.3V234V234-L236 PolarHBondContact O-N 2.99Å
237N47.7Very low53.6Low151 Ų151130.5 Ų130.581%0.80777%0.765SS**  trans-125.980.5164.9-90.8-3.4000107.9S235S235-N237 PolarHBondContact O-N 2.9Å
238S49.8Very low51.6Low111 Ų111132.8 Ų132.878%0.77677%0.772SS**  trans-179.4104.5138.9-167.40000109.6
239T40.3Very low49.5Very low138 Ų138136.9 Ų136.985%0.84780%0.795SS**  trans-157.991.9139.820.10000107.4
240K43.8Very low48Very low192 Ų192138.8 Ų138.884%0.83580%0.799SS**  trans-91.4128.7147-157.2-176.8-173.1-170.60106.1
241P55Low47Very low98 Ų98141.2 Ų141.264%0.63682%0.818SS**  trans-125.7136.1144.122.5-4.6000111.2
242D46.8Very low46.3Very low226 Ų226137.2 Ų137.2100%1.20981%0.814SS**  trans58.10157.4-52.1-23.2000119.9

Retrieved 242 of 242 residues in 134.8 ms (Link to these results)

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