A0A061HX98_CRIGR Loading...

Dual specificity protein phosphatase

AlphaFold DB , UniProt , Accession A0A061HX98, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Dusp9, Length 384 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
1M40.9Very low80.9Confident242 Ų24269.5 Ų69.5100%1.19236%0.36SS*.  0103.80-162.3179.2-68.100105.9S3M1-S3 PolarHBondContact O-N 2.91Å
2E53.6Low81.6Confident150 Ų15072.7 Ų72.770%0.70136%0.364SS*.  trans-61.1132.1180-70.6-174.8171.200109.5L4 R6E2-L4 PolarHBondContact O-N 3.26Å; E2-R6 IonicContact OE2-NH2 3.87Å
3S77.2Confident82.1Confident73 Ų7377.7 Ų77.751%0.5139%0.386SS..  trans-58.2134.6173.1178.10000109M1 G5 R6M1-S3 PolarHBondContact O-N 2.91Å; S3-G5 VanDerWaalsContact C-N 3.28Å; S3-G5 PolarHBondContact OG-N 3.46Å; S3-R6 PolarHBondContact O-NH1 3.09Å
4L85.1Confident82.4Confident45 Ų4577.1 Ų77.124%0.23638%0.381CS..SBendtrans-74.1-22.5177.2-83.5174.9000113.3E2 L110 R114 S120 Y121 Y122E2-L4 PolarHBondContact O-N 3.26Å; L4-L110 HydrophobicContact CD1-CD2 4.24Å; L4-R114 VanDerWaalsContact CD1-NH1 3.31Å; L4-S120 VanDerWaalsContact CD2-O 3.28Å; L4-S120 WeakPolarHBondContact CD2-O 3.28Å; L4-Y121 HydrophobicContact CD2-CD1 4.49Å; L4-Y121 WeakPolarHBondContact O-CA 3.33Å; L4-Y121 WeakPolarHBondContact O-CB 3.03Å; L4-Y122 HydrophobicContact CB-CD1 3.88Å; L4-Y122 HydrophobicContact CB-CE1 3.62Å; L4-Y122 PolarHBondContact O-N 3.43Å
5G87.8Confident82.6Confident6 Ų674.5 Ų74.56%0.06237%0.369CS..EExtended strand (participates in β ladder)trans-79138.7-179.400000110.9S3 Y122S3-G5 VanDerWaalsContact C-N 3.28Å; S3-G5 PolarHBondContact OG-N 3.46Å; G5-Y122 CarbonylContact C-O 3.58Å; G5-Y122 VanDerWaalsContact CA-CE1 3.5Å; G5-Y122 WeakPolarHBondContact CA-O 3.43Å; G5-Y122 VanDerWaalsContact N-CE1 3.31Å
6R90.9Very high82.3Confident36 Ų3673.6 Ų73.614%0.13637%0.372CS..EExtended strand (participates in β ladder)trans-115.6135.6170.7-66-64-177.1-100.38.7109.8E2 S3 W10 L79 Y121 Y122 Q124E2-R6 IonicContact OE2-NH2 3.87Å; S3-R6 PolarHBondContact O-NH1 3.09Å; R6-W10 HydrophobicContact CB-CB 4.43Å; R6-W10 HydrophobicContact CB-CD2 3.85Å; R6-W10 HydrophobicContact CB-CE3 3.4Å; R6-W10 VanDerWaalsContact CB-CE3 3.4Å; R6-W10 HydrophobicContact CB-CG 4.29Å; R6-W10 HydrophobicContact CB-CZ3 3.91Å; R6-W10 VanDerWaalsContact CD-CD2 3.41Å; R6-W10 HydrophobicContact CG-CD2 3.75Å; R6-W10 HydrophobicContact CG-CE3 3.51Å; R6-W10 HydrophobicContact CG-CG 4.41Å; R6-W10 HydrophobicContact CG-CH2 4.03Å; R6-W10 HydrophobicContact CG-CZ2 4.25Å; R6-W10 HydrophobicContact CG-CZ3 3.66Å; R6-L79 HydrophobicContact CB-CD1 4.02Å; R6-L79 HydrophobicContact CG-CD1 4.13Å; R6-Y121 HydrophobicContact CG-CD1 4.4Å; R6-Y121 HydrophobicContact CG-CG 4.01Å; R6-Y121 VanDerWaalsContact CZ-CD1 3.46Å; R6-Y121 PolarHBondContact NH2-OH 3.31Å; R6-Y122 PolarHBondContact N-O 3.2Å; R6-Q124 WeakPolarHBondContact O-CB 3.45Å; R6-Q124 PolarHBondContact O-N 3.37Å
7S91.3Very high81.4Confident50 Ų5076.3 Ų76.335%0.3540%0.396SS..  trans-73.5162178.264.10000110.8L9 W10 L11S7-L9 PolarHBondContact O-N 2.9Å; S7-W10 WeakPolarHBondContact O-CB 3.41Å; S7-W10 PolarHBondContact O-N 3.48Å; S7-W10 VanDerWaalsContact O-N 3.15Å; S7-W10 PolarHBondContact OG-N 3.34Å; S7-L11 PolarHBondContact O-N 3.29Å; S7-L11 VanDerWaalsContact O-N 3.1Å
8C90.9Very high79.9Confident2 Ų279.3 Ų79.31%0.01442%0.421CS..Hα-helixtrans-59.3-37.4173.2-65.60000111.7W10 L11 R12 F130 E133C8-W10 PolarHBondContact O-N 3.07Å; C8-L11 PolarHBondContact O-N 2.86Å; C8-R12 WeakPolarHBondContact O-CB 3.45Å; C8-R12 PolarHBondContact O-N 3.37Å; C8-F130 HydrophobicContact CB-CD2 3.8Å; C8-F130 VanDerWaalsContact SG-CA 3.59Å; C8-E133 WeakPolarHBondContact CB-OE2 3.28Å
9L90Very high79Confident107 Ų10785.4 Ų85.456%0.5644%0.437SS*.Hα-helixtrans-60.8-42.2173.7-69.9178.3000112.9S7 R12 Q13S7-L9 PolarHBondContact O-N 2.9Å; L9-R12 PolarHBondContact O-N 3.48Å; L9-Q13 WeakPolarHBondContact O-CG 3.29Å; L9-Q13 PolarHBondContact O-N 3.16Å; L9-Q13 VanDerWaalsContact O-N 3.17Å
10W91.3Very high78.1Confident54 Ų5486.2 Ų86.221%0.20545%0.449CS..Hα-helixtrans-62.7-48.5176.5179.788.6000111R6 S7 C8 R12 Q13 E14 L22 L79 Y121R6-W10 HydrophobicContact CB-CB 4.43Å; R6-W10 HydrophobicContact CB-CD2 3.85Å; R6-W10 HydrophobicContact CB-CE3 3.4Å; R6-W10 VanDerWaalsContact CB-CE3 3.4Å; R6-W10 HydrophobicContact CB-CG 4.29Å; R6-W10 HydrophobicContact CB-CZ3 3.91Å; R6-W10 VanDerWaalsContact CD-CD2 3.41Å; R6-W10 HydrophobicContact CG-CD2 3.75Å; R6-W10 HydrophobicContact CG-CE3 3.51Å; R6-W10 HydrophobicContact CG-CG 4.41Å; R6-W10 HydrophobicContact CG-CH2 4.03Å; R6-W10 HydrophobicContact CG-CZ2 4.25Å; R6-W10 HydrophobicContact CG-CZ3 3.66Å; S7-W10 WeakPolarHBondContact O-CB 3.41Å; S7-W10 PolarHBondContact O-N 3.48Å; S7-W10 VanDerWaalsContact O-N 3.15Å; S7-W10 PolarHBondContact OG-N 3.34Å; C8-W10 PolarHBondContact O-N 3.07Å; W10-R12 VanDerWaalsContact C-N 3.3Å; W10-R12 PolarHBondContact O-N 3.3Å; W10-Q13 WeakPolarHBondContact O-CB 3.13Å; W10-Q13 PolarHBondContact O-N 3.15Å; W10-Q13 VanDerWaalsContact O-N 3.1Å; W10-E14 HydrophobicContact CD2-CG 3.9Å; W10-E14 HydrophobicContact CE3-CG 3.97Å; W10-E14 HydrophobicContact CH2-CG 3.69Å; W10-E14 HydrophobicContact CZ2-CG 3.57Å; W10-E14 HydrophobicContact CZ3-CG 3.87Å; W10-E14 PolarHBondContact O-N 2.99Å; W10-L22 HydrophobicContact CH2-CD1 4.24Å; W10-L22 HydrophobicContact CZ3-CD2 4.46Å; W10-L79 HydrophobicContact CZ3-CD1 4.27Å; W10-L79 HydrophobicContact CZ3-CD2 4.26Å; W10-Y121 HydrophobicContact CH2-CD2 4.26Å
11L91.4Very high77.8Confident0 Ų088.7 Ų88.70%046%0.458CS..Hα-helixtrans-61.9-40.3179.8174.755.9000111.5S7 C8 Q13 E14 L15 L22 L24 I38 L79 L123 F130S7-L11 PolarHBondContact O-N 3.29Å; S7-L11 VanDerWaalsContact O-N 3.1Å; C8-L11 PolarHBondContact O-N 2.86Å; L11-Q13 VanDerWaalsContact C-N 3.27Å; L11-Q13 PolarHBondContact O-N 3.5Å; L11-E14 PolarHBondContact O-N 3.2Å; L11-L15 HydrophobicContact CD1-CD1 3.81Å; L11-L15 HydrophobicContact CD1-CD2 4.45Å; L11-L15 HydrophobicContact CD1-CG 3.78Å; L11-L15 HydrophobicContact CG-CD1 3.89Å; L11-L15 HydrophobicContact CG-CG 4.3Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.3Å; L11-L22 HydrophobicContact CD1-CD2 3.68Å; L11-L24 HydrophobicContact CD1-CD1 4.47Å; L11-L24 HydrophobicContact CD1-CD2 3.87Å; L11-L24 HydrophobicContact CD2-CD2 4.38Å; L11-I38 HydrophobicContact CD2-CD1 3.69Å; L11-L79 HydrophobicContact CB-CD2 4.24Å; L11-L79 HydrophobicContact CD1-CD2 3.61Å; L11-L79 HydrophobicContact CD2-CD2 3.67Å; L11-L79 HydrophobicContact CG-CD2 4.03Å; L11-L123 HydrophobicContact CB-CD1 4.19Å; L11-L123 HydrophobicContact CD2-CD1 3.87Å; L11-L123 HydrophobicContact CD2-CD2 3.91Å; L11-L123 HydrophobicContact CD2-CG 4.49Å; L11-F130 HydrophobicContact CB-CD2 4.46Å; L11-F130 HydrophobicContact CB-CE2 3.89Å; L11-F130 HydrophobicContact CD2-CD2 3.84Å; L11-F130 HydrophobicContact CD2-CE1 4.48Å; L11-F130 HydrophobicContact CD2-CE2 3.55Å; L11-F130 HydrophobicContact CD2-CG 4.43Å; L11-F130 HydrophobicContact CD2-CZ 3.89Å; L11-F130 HydrophobicContact CG-CD2 4.38Å; L11-F130 HydrophobicContact CG-CE2 3.66Å; L11-F130 HydrophobicContact CG-CZ 4.01Å
12R89.1Confident79.9Confident107 Ų10778.2 Ų78.240%0.40441%0.407SS..Hα-helixtrans-57.1-41174.8179.3-178.4179.7166.5-1.5112.4C8 L9 W10 S16 L137C8-R12 WeakPolarHBondContact O-CB 3.45Å; C8-R12 PolarHBondContact O-N 3.37Å; L9-R12 PolarHBondContact O-N 3.48Å; W10-R12 VanDerWaalsContact C-N 3.3Å; W10-R12 PolarHBondContact O-N 3.3Å; R12-S16 PolarHBondContact O-N 3.48Å; R12-S16 PolarHBondContact O-OG 3.4Å; R12-L137 HydrophobicContact CB-CD1 4.29Å; R12-L137 HydrophobicContact CG-CD1 3.92Å
13Q88.1Confident81.5Confident138 Ų13873 Ų7365%0.64538%0.384SS*.Hα-helixtrans-67.4-42.4177.8-71.4173.1-10.900111.5L9 W10 L11 L15 S16L9-Q13 WeakPolarHBondContact O-CG 3.29Å; L9-Q13 PolarHBondContact O-N 3.16Å; L9-Q13 VanDerWaalsContact O-N 3.17Å; W10-Q13 WeakPolarHBondContact O-CB 3.13Å; W10-Q13 PolarHBondContact O-N 3.15Å; W10-Q13 VanDerWaalsContact O-N 3.1Å; L11-Q13 VanDerWaalsContact C-N 3.27Å; L11-Q13 PolarHBondContact O-N 3.5Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 3.34Å; Q13-S16 WeakPolarHBondContact O-CB 3.27Å; Q13-S16 PolarHBondContact O-N 3.03Å
14E86.7Confident82.1Confident69 Ų6969.9 Ų69.932%0.32236%0.361SS..Hα-helixtrans-67.5-29.6178-68.7-63.314500113.6W10 L11 S16 L22W10-E14 HydrophobicContact CD2-CG 3.9Å; W10-E14 HydrophobicContact CE3-CG 3.97Å; W10-E14 HydrophobicContact CH2-CG 3.69Å; W10-E14 HydrophobicContact CZ2-CG 3.57Å; W10-E14 HydrophobicContact CZ3-CG 3.87Å; W10-E14 PolarHBondContact O-N 2.99Å; L11-E14 PolarHBondContact O-N 3.2Å; E14-S16 VanDerWaalsContact C-N 3.31Å; E14-L22 HydrophobicContact CB-CD2 4Å
15L84.3Confident82.4Confident39 Ų3967.9 Ų67.920%0.20435%0.351CS..THydrogen-bonded Turntrans-80.3-9.8175.5-73.1177.4000113.6L11 Q13 L24 I38 F130 L137L11-L15 HydrophobicContact CD1-CD1 3.81Å; L11-L15 HydrophobicContact CD1-CD2 4.45Å; L11-L15 HydrophobicContact CD1-CG 3.78Å; L11-L15 HydrophobicContact CG-CD1 3.89Å; L11-L15 HydrophobicContact CG-CG 4.3Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.3Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 3.34Å; L15-L24 HydrophobicContact CD1-CD1 4.44Å; L15-L24 HydrophobicContact CD2-CD1 3.7Å; L15-I38 HydrophobicContact CD1-CG2 3.74Å; L15-F130 HydrophobicContact CD1-CZ 4.09Å; L15-L137 HydrophobicContact CB-CD1 4.43Å; L15-L137 HydrophobicContact CD1-CD1 4.29Å
16S78.3Confident82.6Confident60 Ų6067.6 Ų67.642%0.4235%0.348SS..SBendtrans-80.7127-179.3-62.80000110.4R12 Q13 E14R12-S16 PolarHBondContact O-N 3.48Å; R12-S16 PolarHBondContact O-OG 3.4Å; Q13-S16 WeakPolarHBondContact O-CB 3.27Å; Q13-S16 PolarHBondContact O-N 3.03Å; E14-S16 VanDerWaalsContact C-N 3.31Å
17P67.3Low82.6Confident119 Ų11966.6 Ų66.677%0.77335%0.346SS*.THydrogen-bonded Turntrans-58.9149.4178.420.6-29.9000112
18P54.2Low82.6Confident130 Ų13064.9 Ų64.984%0.84433%0.332SS*.THydrogen-bonded Turncis-102.929.724.839.2-35.5000115.7
19R63.2Low82.4Confident195 Ų19567.3 Ų67.374%0.73635%0.349SS*.  trans-123137.5175.9-63.4-177.1-179.4176.50.5110.3
20P60Low82.1Confident102 Ų10267.9 Ų67.966%0.66234%0.344SS*.  -137.9128.811533.1-18.8000112.3
21Q71.9Confident81.8Confident139 Ų13971.5 Ų71.565%0.6536%0.363SS*.  trans-111.229.6150.8-65.6-173.81000108.9A76 P77Q21-A76 HydrophobicContact CB-CB 4.3Å; Q21-A76 WeakPolarHBondContact O-CA 3.4Å; Q21-A76 WeakPolarHBondContact O-CB 3.5Å; Q21-P77 VanDerWaalsContact O-CD 3.28Å; Q21-P77 WeakPolarHBondContact O-CD 3.2Å
22L85.3Confident81.7Confident21 Ų2174.4 Ų74.411%0.1138%0.378CS..PPolyproline II helixtrans-99.9126.1179.7-178.470.9000109.5W10 L11 E14 L24 P77 L79W10-L22 HydrophobicContact CH2-CD1 4.24Å; W10-L22 HydrophobicContact CZ3-CD2 4.46Å; L11-L22 HydrophobicContact CD1-CD2 3.68Å; E14-L22 HydrophobicContact CB-CD2 4Å; L22-L24 HydrophobicContact CD2-CD2 4.19Å; L22-L24 HydrophobicContact CD2-CG 4.29Å; L22-L24 HydrophobicContact CG-CG 4.48Å; L22-P77 HydrophobicContact CD1-CB 3.89Å; L22-P77 HydrophobicContact CD1-CG 3.77Å; L22-P77 WeakPolarHBondContact CD1-O 3.25Å; L22-L79 HydrophobicContact CD1-CB 4.1Å
23L87.6Confident81.7Confident41 Ų4170.7 Ų70.722%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-93.7117.9173.7-172.665.6000110L25 L42 L65 P77 V78 L79L23-L25 HydrophobicContact CD2-CD2 4.32Å; L23-L25 HydrophobicContact CG-CD2 4.12Å; L23-L42 HydrophobicContact CD1-CD1 3.67Å; L23-L65 HydrophobicContact CD2-CD1 4.09Å; L23-L65 HydrophobicContact CD2-CD2 3.81Å; L23-L65 HydrophobicContact CD2-CG 4.45Å; L23-P77 PolarHBondContact N-O 2.93Å; L23-V78 HydrophobicContact CB-CG1 4.39Å; L23-V78 HydrophobicContact CB-CG2 4.21Å; L23-V78 HydrophobicContact CD2-CG1 4.33Å; L23-V78 HydrophobicContact CD2-CG2 4.13Å; L23-V78 CarbonylContact O-C 3.55Å; L23-V78 WeakPolarHBondContact O-CA 3.39Å; L23-L79 PolarHBondContact O-N 3.23Å
24L90.2Very high81.7Confident7 Ų769.2 Ų69.24%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-100124.4179.5-76.7167.9000111.1L11 L15 L22 I38 A41 L42 L79L11-L24 HydrophobicContact CD1-CD1 4.47Å; L11-L24 HydrophobicContact CD1-CD2 3.87Å; L11-L24 HydrophobicContact CD2-CD2 4.38Å; L15-L24 HydrophobicContact CD1-CD1 4.44Å; L15-L24 HydrophobicContact CD2-CD1 3.7Å; L22-L24 HydrophobicContact CD2-CD2 4.19Å; L22-L24 HydrophobicContact CD2-CG 4.29Å; L22-L24 HydrophobicContact CG-CG 4.48Å; L24-I38 HydrophobicContact CD1-CG2 4.03Å; L24-A41 HydrophobicContact CB-CB 3.94Å; L24-L42 PolarHBondContact O-N 2.79Å; L24-L79 HydrophobicContact CD2-CB 3.91Å; L24-L79 HydrophobicContact CD2-CD2 3.75Å; L24-L79 HydrophobicContact CD2-CG 4.24Å
25L91.3Very high81.7Confident4 Ų468.7 Ų68.72%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-117.2120.5178.9-57.3-176.6000110.7L23 L42 V44 L65 V78 L79 L80 Y81 L113L23-L25 HydrophobicContact CD2-CD2 4.32Å; L23-L25 HydrophobicContact CG-CD2 4.12Å; L25-L42 WeakPolarHBondContact CA-O 3.44Å; L25-L42 HydrophobicContact CD2-CB 4.13Å; L25-L42 HydrophobicContact CD2-CD1 4.34Å; L25-V44 HydrophobicContact CB-CG2 3.87Å; L25-V44 HydrophobicContact CD1-CG2 4.33Å; L25-V44 HydrophobicContact CD2-CG2 3.86Å; L25-V44 HydrophobicContact CG-CG2 4.22Å; L25-L65 HydrophobicContact CD1-CD2 4.08Å; L25-L65 HydrophobicContact CD2-CD2 4.2Å; L25-V78 HydrophobicContact CD1-CG1 3.65Å; L25-V78 HydrophobicContact CG-CG1 3.95Å; L25-L79 PolarHBondContact N-O 2.88Å; L25-L80 HydrophobicContact CB-CD2 4.44Å; L25-L80 HydrophobicContact CB-CG 4.2Å; L25-L80 HydrophobicContact CD1-CD2 4.15Å; L25-L80 HydrophobicContact CD1-CG 4.26Å; L25-L80 WeakPolarHBondContact O-CA 3.34Å; L25-Y81 PolarHBondContact O-N 3.27Å; L25-Y81 VanDerWaalsContact O-N 3.08Å; L25-L113 HydrophobicContact CD1-CD1 4.39Å
26D92.3Very high82Confident0 Ų067.2 Ų67.20%036%0.355CS..EExtended strand (participates in β ladder)trans-92.1110.4175-163.8-36000109.7R28 Y33 L42 V44 Y81D26-R28 VanDerWaalsContact C-N 3.33Å; D26-R28 WeakPolarHBondContact OD1-CB 3.32Å; D26-R28 WeakPolarHBondContact OD1-CG 3.34Å; D26-R28 IonicContact OD1-CZ 3.93Å; D26-R28 PolarHBondContact OD1-N 2.96Å; D26-R28 IonicContact OD1-NE 3.53Å; D26-R28 PolarHBondContact OD1-NE 3.43Å; D26-R28 IonicContact OD1-NH2 2.71Å; D26-R28 IonicContact OD2-CZ 2.96Å; D26-R28 IonicContact OD2-NE 3.86Å; D26-R28 PolarHBondContact OD2-NE 2.93Å; D26-R28 IonicContact OD2-NH2 3.87Å; D26-R28 PolarHBondContact OD2-NH2 2.85Å; D26-Y33 HydrophobicContact CB-CD2 3.68Å; D26-Y33 HydrophobicContact CB-CE2 4.05Å; D26-Y33 WeakPolarHBondContact OD2-CD2 3.33Å; D26-L42 PolarHBondContact N-O 3.25Å; D26-V44 PolarHBondContact O-N 3.42Å; D26-Y81 HydrophobicContact CB-CE1 4.18Å; D26-Y81 HydrophobicContact CB-CE2 3.94Å; D26-Y81 WeakPolarHBondContact CB-OH 3.48Å; D26-Y81 VanDerWaalsContact CG-CZ 3.43Å; D26-Y81 VanDerWaalsContact CG-OH 3.25Å; D26-Y81 WeakPolarHBondContact OD2-CE2 3.38Å; D26-Y81 PolarHBondContact OD2-OH 3.34Å
27C90.9Very high82.7Confident15 Ų1566.7 Ų66.710%0.10134%0.344CS..  trans-92.49.9-177.9-620000113Y81 V105 L106C27-Y81 WeakPolarHBondContact CB-O 3.43Å; C27-Y81 PolarHBondContact N-O 3.37Å; C27-V105 HydrophobicContact CB-CG1 4.18Å; C27-L106 HydrophobicContact CB-CB 4.14Å
28R89.9Confident83.9Confident14 Ų1461 Ų615%0.05331%0.307CS..SBendtrans-80.5172.1-179.9-58.4-179.5-65.6151.60.7111.8D26 L32 A36 Q83 F127D26-R28 VanDerWaalsContact C-N 3.33Å; D26-R28 WeakPolarHBondContact OD1-CB 3.32Å; D26-R28 WeakPolarHBondContact OD1-CG 3.34Å; D26-R28 IonicContact OD1-CZ 3.93Å; D26-R28 PolarHBondContact OD1-N 2.96Å; D26-R28 IonicContact OD1-NE 3.53Å; D26-R28 PolarHBondContact OD1-NE 3.43Å; D26-R28 IonicContact OD1-NH2 2.71Å; D26-R28 IonicContact OD2-CZ 2.96Å; D26-R28 IonicContact OD2-NE 3.86Å; D26-R28 PolarHBondContact OD2-NE 2.93Å; D26-R28 IonicContact OD2-NH2 3.87Å; D26-R28 PolarHBondContact OD2-NH2 2.85Å; R28-L32 HydrophobicContact CB-CB 3.95Å; R28-L32 HydrophobicContact CB-CD1 4.22Å; R28-L32 PolarHBondContact NH1-O 2.85Å; R28-L32 PolarHBondContact NH2-O 3.33Å; R28-A36 PolarHBondContact NH2-O 3.41Å; R28-Q83 VanDerWaalsContact CD-CA 3.47Å; R28-Q83 HydrophobicContact CG-CB 4.24Å; R28-Q83 VanDerWaalsContact CG-N 3.3Å; R28-F127 VanDerWaalsContact CZ-CG 3.5Å
29S86.7Confident85.5Confident53 Ų5356.9 Ų56.937%0.37128%0.281SS..  trans-62.2157.4172.485.10000110.9E31 L32 Y33S29-E31 WeakPolarHBondContact CB-OE2 3.39Å; S29-E31 PolarHBondContact O-N 2.82Å; S29-E31 PolarHBondContact OG-OE2 3.27Å; S29-L32 PolarHBondContact O-N 3.37Å; S29-L32 VanDerWaalsContact O-N 3.16Å; S29-L32 PolarHBondContact OG-N 2.73Å; S29-Y33 PolarHBondContact O-N 3.34Å
30R84Confident86.5Confident118 Ų11850.5 Ų50.545%0.44528%0.275SS..Hα-helixtrans-60.3-37.3-177.6-176.8169.3-180169.9-2.7111.9L32 Y33 E34 V45 L165R30-L32 VanDerWaalsContact C-N 3.34Å; R30-L32 PolarHBondContact O-N 2.95Å; R30-Y33 PolarHBondContact O-N 3.03Å; R30-E34 HydrophobicContact CG-CG 4.21Å; R30-E34 IonicContact CZ-OE1 3.42Å; R30-E34 IonicContact NE-OE1 3.22Å; R30-E34 PolarHBondContact NE-OE1 2.83Å; R30-E34 IonicContact NH2-OE1 2.71Å; R30-E34 PolarHBondContact NH2-OE1 2.82Å; R30-E34 WeakPolarHBondContact O-CB 3.3Å; R30-E34 WeakPolarHBondContact O-CG 3.41Å; R30-E34 PolarHBondContact O-N 2.99Å; R30-V45 HydrophobicContact CB-CG2 4.39Å; R30-L165 PolarHBondContact NH2-O 2.85Å
31E85.9Confident87.9Confident130 Ų13045.7 Ų45.761%0.60725%0.245SC*.Hα-helixtrans-63.8-40.9178.9-52.876.1-162.400111.3S29 S35S29-E31 WeakPolarHBondContact CB-OE2 3.39Å; S29-E31 PolarHBondContact O-N 2.82Å; S29-E31 PolarHBondContact OG-OE2 3.27Å; E31-S35 WeakPolarHBondContact O-CB 3.27Å; E31-S35 PolarHBondContact O-N 3.1Å; E31-S35 VanDerWaalsContact O-N 3.08Å; E31-S35 PolarHBondContact O-OG 3.24Å
32L89.1Confident88.6Confident62 Ų6240.5 Ų40.533%0.32522%0.221SC..Hα-helixtrans-70.9-33.6177-69.5175.2000112.3R28 S29 R30 S35 A36 Q83R28-L32 HydrophobicContact CB-CB 3.95Å; R28-L32 HydrophobicContact CB-CD1 4.22Å; R28-L32 PolarHBondContact NH1-O 2.85Å; R28-L32 PolarHBondContact NH2-O 3.33Å; S29-L32 PolarHBondContact O-N 3.37Å; S29-L32 VanDerWaalsContact O-N 3.16Å; S29-L32 PolarHBondContact OG-N 2.73Å; R30-L32 VanDerWaalsContact C-N 3.34Å; R30-L32 PolarHBondContact O-N 2.95Å; L32-S35 WeakPolarHBondContact CA-OG 3.39Å; L32-S35 PolarHBondContact O-OG 2.8Å; L32-A36 PolarHBondContact O-N 2.84Å; L32-Q83 HydrophobicContact CD1-CB 4.22Å; L32-Q83 HydrophobicContact CD1-CG 4.2Å
33Y89.1Confident88.7Confident29 Ų2940.5 Ų40.511%0.11422%0.223CC..Hα-helixtrans-70.7-43.7174.7175.5-94.4000112.6D26 S29 R30 A36 R37 A41 S43D26-Y33 HydrophobicContact CB-CD2 3.68Å; D26-Y33 HydrophobicContact CB-CE2 4.05Å; D26-Y33 WeakPolarHBondContact OD2-CD2 3.33Å; S29-Y33 PolarHBondContact O-N 3.34Å; R30-Y33 PolarHBondContact O-N 3.03Å; Y33-A36 CarbonylContact O-C 3.59Å; Y33-R37 HydrophobicContact CD2-CB 3.99Å; Y33-R37 HydrophobicContact CE2-CB 4.12Å; Y33-R37 VanDerWaalsContact CE2-CD 3.48Å; Y33-R37 HydrophobicContact CE2-CG 4.43Å; Y33-R37 PolarHBondContact OH-NH1 3.24Å; Y33-A41 PolarHBondContact OH-O 2.67Å; Y33-A41 VanDerWaalsContact OH-O 3.1Å; Y33-S43 PolarHBondContact OH-N 2.71Å
34E86.9Confident88.5Confident106 Ų10639.3 Ų39.350%0.49522%0.217SC..Hα-helixtrans-70.4-31.1-178.8-73.9177.4170.700112.3R30 S141R30-E34 HydrophobicContact CG-CG 4.21Å; R30-E34 IonicContact CZ-OE1 3.42Å; R30-E34 IonicContact NE-OE1 3.22Å; R30-E34 PolarHBondContact NE-OE1 2.83Å; R30-E34 IonicContact NH2-OE1 2.71Å; R30-E34 PolarHBondContact NH2-OE1 2.82Å; R30-E34 WeakPolarHBondContact O-CB 3.3Å; R30-E34 WeakPolarHBondContact O-CG 3.41Å; R30-E34 PolarHBondContact O-N 2.99Å; E34-S141 PolarHBondContact O-OG 2.9Å
35S88.4Confident87.9Confident59 Ų5943.1 Ų43.141%0.41324%0.24SC..Hα-helixtrans-71.6-45176.453.80000113.1E31 L32 S141E31-S35 WeakPolarHBondContact O-CB 3.27Å; E31-S35 PolarHBondContact O-N 3.1Å; E31-S35 VanDerWaalsContact O-N 3.08Å; E31-S35 PolarHBondContact O-OG 3.24Å; L32-S35 WeakPolarHBondContact CA-OG 3.39Å; L32-S35 PolarHBondContact O-OG 2.8Å; S35-S141 WeakPolarHBondContact CA-OG 3.46Å; S35-S141 PolarHBondContact O-N 3.31Å; S35-S141 PolarHBondContact O-OG 3.3Å; S35-S141 VanDerWaalsContact O-OG 3.07Å
36A90.3Very high87.1Confident8 Ų843.7 Ų43.77%0.06624%0.243CC..EExtended strand (participates in β ladder)trans-160.1143.9175.900000111R28 L32 Y33 F127 E139 T140R28-A36 PolarHBondContact NH2-O 3.41Å; L32-A36 PolarHBondContact O-N 2.84Å; Y33-A36 CarbonylContact O-C 3.59Å; A36-F127 HydrophobicContact CB-CE1 3.84Å; A36-F127 HydrophobicContact CB-CZ 3.63Å; A36-E139 CarbonylContact C-O 3.17Å; A36-E139 WeakPolarHBondContact CA-O 3.37Å; A36-T140 HydrophobicContact CB-CG2 3.87Å
37R92.9Very high86.5Confident48 Ų4847.1 Ų47.118%0.18127%0.266CS..EExtended strand (participates in β ladder)trans-148.616317863-177.9-178.9-172.3-6111.6Y33 C138 E139Y33-R37 HydrophobicContact CD2-CB 3.99Å; Y33-R37 HydrophobicContact CE2-CB 4.12Å; Y33-R37 VanDerWaalsContact CE2-CD 3.48Å; Y33-R37 HydrophobicContact CE2-CG 4.43Å; Y33-R37 PolarHBondContact OH-NH1 3.24Å; R37-C138 CarbonylContact O-C 3.53Å; R37-C138 WeakPolarHBondContact O-CA 3.41Å; R37-C138 WeakPolarHBondContact O-CB 3.38Å; R37-E139 HydrophobicContact CG-CB 4.17Å; R37-E139 IonicContact CZ-OE2 3.13Å; R37-E139 PolarHBondContact N-O 2.87Å; R37-E139 IonicContact NE-OE2 2.88Å; R37-E139 PolarHBondContact NE-OE2 3.31Å; R37-E139 IonicContact NH2-OE2 2.6Å; R37-E139 PolarHBondContact NH2-OE2 2.83Å; R37-E139 PolarHBondContact O-N 2.9Å
38I92.7Very high85.8Confident0 Ų050.4 Ų50.40%029%0.294CS..EExtended strand (participates in β ladder)trans-70.5137.3171-56-177.6000108L11 L15 L24 G40 A41 Y81 L123 F127 F130L11-I38 HydrophobicContact CD2-CD1 3.69Å; L15-I38 HydrophobicContact CD1-CG2 3.74Å; L24-I38 HydrophobicContact CD1-CG2 4.03Å; I38-G40 PolarHBondContact O-N 3.17Å; I38-A41 HydrophobicContact CB-CB 4.35Å; I38-A41 WeakPolarHBondContact O-CB 3.36Å; I38-A41 PolarHBondContact O-N 3.47Å; I38-Y81 HydrophobicContact CB-CE1 4.26Å; I38-Y81 HydrophobicContact CD1-CD1 3.98Å; I38-Y81 HydrophobicContact CD1-CE1 3.75Å; I38-Y81 HydrophobicContact CD1-CE2 4.38Å; I38-Y81 HydrophobicContact CD1-CG 4.38Å; I38-Y81 HydrophobicContact CG1-CE1 4.06Å; I38-Y81 HydrophobicContact CG1-CE2 4.39Å; I38-Y81 PolarHBondContact N-OH 3.46Å; I38-L123 HydrophobicContact CD1-CD2 3.79Å; I38-F127 HydrophobicContact CD1-CD2 4.45Å; I38-F127 HydrophobicContact CG1-CD2 3.83Å; I38-F127 HydrophobicContact CG1-CE2 3.91Å; I38-F130 HydrophobicContact CB-CE1 4.48Å; I38-F130 HydrophobicContact CD1-CB 4.48Å; I38-F130 HydrophobicContact CD1-CD1 3.53Å; I38-F130 HydrophobicContact CD1-CE1 3.84Å; I38-F130 HydrophobicContact CD1-CG 3.95Å; I38-F130 HydrophobicContact CD1-CZ 4.49Å; I38-F130 HydrophobicContact CG1-CD1 3.72Å; I38-F130 HydrophobicContact CG1-CE1 3.9Å; I38-F130 HydrophobicContact CG2-CE1 3.9Å; I38-F130 HydrophobicContact CG2-CZ 4.4Å
39C87.6Confident85.1Confident44 Ų4455.7 Ų55.730%0.29732%0.322SS..THydrogen-bonded Turntrans-52.1129.2180-63.30000110.9A41 L137 E139C39-A41 VanDerWaalsContact C-N 3.29Å; C39-A41 PolarHBondContact O-N 3.41Å; C39-L137 PolarHBondContact N-O 2.7Å; C39-L137 PolarHBondContact SG-O 3.23Å; C39-E139 HydrophobicContact CB-CG 4.47Å
40G83.6Confident84.7Confident60 Ų6055.1 Ų55.162%0.61931%0.314SS*.THydrogen-bonded Turntrans75.84.6-179.700000116.3I38I38-G40 PolarHBondContact O-N 3.17Å
41A88.8Confident84.5Confident2 Ų250.4 Ų50.42%0.01730%0.298CS..PPolyproline II helixtrans-71.7144.6174.100000112.7L24 Y33 I38 C39 Y81L24-A41 HydrophobicContact CB-CB 3.94Å; Y33-A41 PolarHBondContact OH-O 2.67Å; Y33-A41 VanDerWaalsContact OH-O 3.1Å; I38-A41 HydrophobicContact CB-CB 4.35Å; I38-A41 WeakPolarHBondContact O-CB 3.36Å; I38-A41 PolarHBondContact O-N 3.47Å; C39-A41 VanDerWaalsContact C-N 3.29Å; C39-A41 PolarHBondContact O-N 3.41Å; A41-Y81 HydrophobicContact CB-CE1 3.92Å; A41-Y81 WeakPolarHBondContact CB-OH 3.42Å
42L86.6Confident84.2Confident30 Ų3052.2 Ų52.216%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-101129.7175.7-58.5176.6000110.3L23 L24 L25 D26 P66 V159L23-L42 HydrophobicContact CD1-CD1 3.67Å; L24-L42 PolarHBondContact O-N 2.79Å; L25-L42 WeakPolarHBondContact CA-O 3.44Å; L25-L42 HydrophobicContact CD2-CB 4.13Å; L25-L42 HydrophobicContact CD2-CD1 4.34Å; D26-L42 PolarHBondContact N-O 3.25Å; L42-P66 HydrophobicContact CD1-CG 3.92Å; L42-V159 HydrophobicContact CD1-CG2 4.06Å; L42-V159 HydrophobicContact CD2-CG2 4.4Å
43S87.4Confident83.7Confident21 Ų2154.4 Ų54.415%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-70.3129.8174.1-174.20000111.4Y33Y33-S43 PolarHBondContact OH-N 2.71Å
44V83.9Confident83.3Confident15 Ų1553 Ų539%0.09130%0.298CS..  trans-115.990.5175-175.80000109.3L25 D26 L46 L109L25-V44 HydrophobicContact CB-CG2 3.87Å; L25-V44 HydrophobicContact CD1-CG2 4.33Å; L25-V44 HydrophobicContact CD2-CG2 3.86Å; L25-V44 HydrophobicContact CG-CG2 4.22Å; D26-V44 PolarHBondContact O-N 3.42Å; V44-L46 HydrophobicContact CG1-CD1 4Å; V44-L46 HydrophobicContact CG1-CD2 4.35Å; V44-L46 HydrophobicContact CG1-CG 3.81Å; V44-L109 HydrophobicContact CB-CD1 4.41Å; V44-L109 HydrophobicContact CG1-CD1 3.57Å
45V77.8Confident83Confident87 Ų8753.5 Ų53.553%0.52730%0.295SS..  trans-97.7106.7173.6-177.30000108.7R30 P47R30-V45 HydrophobicContact CB-CG2 4.39Å; V45-P47 WeakPolarHBondContact O-CD 3.43Å
46L75.4Confident82.6Confident16 Ų1659.4 Ų59.48%0.08431%0.308CS..  trans-106.9111.6179.3-66.1175.7000111.2V44 M50 L51 L54 L64 V105 L109V44-L46 HydrophobicContact CG1-CD1 4Å; V44-L46 HydrophobicContact CG1-CD2 4.35Å; V44-L46 HydrophobicContact CG1-CG 3.81Å; L46-M50 HydrophobicContact CD2-CB 4.35Å; L46-M50 HydrophobicContact CD2-CE 3.95Å; L46-M50 HydrophobicContact CD2-SD 4.39Å; L46-L51 HydrophobicContact CB-CD1 4.48Å; L46-L51 HydrophobicContact CB-CD2 3.87Å; L46-L51 HydrophobicContact CB-CG 3.85Å; L46-L51 HydrophobicContact CD1-CD2 3.77Å; L46-L54 HydrophobicContact CD1-CD1 3.67Å; L46-L64 HydrophobicContact CD1-CD1 4.11Å; L46-L64 HydrophobicContact CD2-CD1 3.9Å; L46-L64 HydrophobicContact CD2-CD2 3.85Å; L46-L64 HydrophobicContact CD2-CG 4.47Å; L46-V105 HydrophobicContact CD1-CG1 4.34Å; L46-L109 HydrophobicContact CD1-CD1 3.86Å; L46-L109 HydrophobicContact CD1-CD2 3.81Å; L46-L109 HydrophobicContact CD1-CG 3.93Å
47P79.1Confident82Confident73 Ų7361.7 Ų61.747%0.47433%0.333SS..  trans-53.6148.5167.7-2533.7000111.5V45 L49 M50 L51V45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-L49 PolarHBondContact O-N 3.29Å; P47-M50 HydrophobicContact CG-SD 4.33Å; P47-M50 WeakPolarHBondContact O-CA 3.29Å; P47-M50 WeakPolarHBondContact O-CB 3.48Å; P47-M50 PolarHBondContact O-N 3.16Å; P47-L51 PolarHBondContact O-N 3.13Å; P47-L51 VanDerWaalsContact O-N 3.11Å
48A75.4Confident81.4Confident83 Ų8362.1 Ų62.169%0.68634%0.343SS*.Hα-helixtrans-52.3-32.5-178.200000113.7L51 R52A48-L51 PolarHBondContact O-N 3.39Å; A48-R52 WeakPolarHBondContact O-CB 3.41Å; A48-R52 PolarHBondContact O-N 2.7Å
49L76.1Confident80.6Confident125 Ų12563.2 Ų63.265%0.65435%0.349SS*.Hα-helixtrans-68-38.6177.8-135.9156.2000112.1P47 R52 R53P47-L49 PolarHBondContact O-N 3.29Å; L49-R52 PolarHBondContact O-N 3.27Å; L49-R53 HydrophobicContact CD2-CG 4.47Å; L49-R53 VanDerWaalsContact O-CG 3.31Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 3.29Å
50M78.6Confident80.2Confident41 Ų4163.3 Ų63.320%0.20235%0.35CS..Hα-helixtrans-70.6-40.9174.6-68.2-176.769.100111.3L46 P47 R52 R53 L54 L59 L64 V160L46-M50 HydrophobicContact CD2-CB 4.35Å; L46-M50 HydrophobicContact CD2-CE 3.95Å; L46-M50 HydrophobicContact CD2-SD 4.39Å; P47-M50 HydrophobicContact CG-SD 4.33Å; P47-M50 WeakPolarHBondContact O-CA 3.29Å; P47-M50 WeakPolarHBondContact O-CB 3.48Å; P47-M50 PolarHBondContact O-N 3.16Å; M50-R52 VanDerWaalsContact C-N 3.32Å; M50-R52 PolarHBondContact O-N 2.89Å; M50-R53 PolarHBondContact O-N 3.47Å; M50-R53 VanDerWaalsContact O-N 3.16Å; M50-L54 WeakPolarHBondContact O-CG 3.45Å; M50-L54 PolarHBondContact O-N 3.22Å; M50-L59 HydrophobicContact CB-CD2 4.04Å; M50-L59 HydrophobicContact CE-CD2 3.77Å; M50-L59 HydrophobicContact CG-CD2 4.26Å; M50-L64 HydrophobicContact CE-CD2 3.3Å; M50-V160 HydrophobicContact CE-CG1 4.21Å
51L79.4Confident80Confident19 Ų1960.5 Ų60.510%0.09932%0.321CS..Hα-helixtrans-57.7-45.1171.6-69.3169.8000111.3L46 P47 A48 R53 L54 R55 V105 I108L46-L51 HydrophobicContact CB-CD1 4.48Å; L46-L51 HydrophobicContact CB-CD2 3.87Å; L46-L51 HydrophobicContact CB-CG 3.85Å; L46-L51 HydrophobicContact CD1-CD2 3.77Å; P47-L51 PolarHBondContact O-N 3.13Å; P47-L51 VanDerWaalsContact O-N 3.11Å; A48-L51 PolarHBondContact O-N 3.39Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 2.81Å; L51-L54 PolarHBondContact O-N 3.36Å; L51-R55 WeakPolarHBondContact O-CG 3.47Å; L51-R55 PolarHBondContact O-N 3.22Å; L51-V105 HydrophobicContact CD1-CG2 3.93Å; L51-V105 HydrophobicContact CD2-CG1 4.44Å; L51-V105 HydrophobicContact CD2-CG2 4.23Å; L51-I108 HydrophobicContact CD2-CD1 4.02Å; L51-I108 HydrophobicContact CD2-CG2 4.49Å
52R78.3Confident79.2Confident168 Ų16864.1 Ų64.163%0.63433%0.334SS*.Hα-helixtrans-61.5-39.6175.8-175.3177177-175.9-1.7112.4A48 L49 M50 R56A48-R52 WeakPolarHBondContact O-CB 3.41Å; A48-R52 PolarHBondContact O-N 2.7Å; L49-R52 PolarHBondContact O-N 3.27Å; M50-R52 VanDerWaalsContact C-N 3.32Å; M50-R52 PolarHBondContact O-N 2.89Å; R52-R56 WeakPolarHBondContact O-CB 3.32Å; R52-R56 WeakPolarHBondContact O-CG 3.41Å; R52-R56 PolarHBondContact O-N 3.19Å; R52-R56 VanDerWaalsContact O-N 3.12Å
53R78.5Confident78.5Confident108 Ų10865.8 Ų65.841%0.40835%0.348SS..Hα-helixtrans-70.3-39.9177.4-72.4-179.863.2-171.7-2.5112.7L49 M50 L51 R56 G57 S58 L59L49-R53 HydrophobicContact CD2-CG 4.47Å; L49-R53 VanDerWaalsContact O-CG 3.31Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 3.29Å; M50-R53 PolarHBondContact O-N 3.47Å; M50-R53 VanDerWaalsContact O-N 3.16Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 2.81Å; R53-R56 CarbonylContact O-C 3.47Å; R53-R56 PolarHBondContact O-N 2.77Å; R53-G57 PolarHBondContact O-N 3.49Å; R53-G57 VanDerWaalsContact O-N 3.08Å; R53-S58 WeakPolarHBondContact CB-OG 3.32Å; R53-S58 PolarHBondContact NH2-O 2.95Å; R53-S58 PolarHBondContact O-N 3.49Å; R53-S58 PolarHBondContact O-OG 3.43Å; R53-L59 HydrophobicContact CB-CB 3.75Å; R53-L59 HydrophobicContact CB-CD2 4.4Å; R53-L59 PolarHBondContact O-N 3.42Å
54L81.7Confident77.8Confident0 Ų065.1 Ų65.10%034%0.343CS..Hα-helixtrans-58.8-49.9172.2-74.1162.2000110.5L46 M50 L51 R56 G57 L59 V61 L64 I108 L109 K112L46-L54 HydrophobicContact CD1-CD1 3.67Å; M50-L54 WeakPolarHBondContact O-CG 3.45Å; M50-L54 PolarHBondContact O-N 3.22Å; L51-L54 PolarHBondContact O-N 3.36Å; L54-R56 VanDerWaalsContact C-N 3.27Å; L54-R56 PolarHBondContact O-N 3.5Å; L54-G57 PolarHBondContact O-N 2.91Å; L54-L59 HydrophobicContact CD2-CB 4.28Å; L54-L59 HydrophobicContact CD2-CD2 4.33Å; L54-L59 HydrophobicContact CD2-CG 4.16Å; L54-L59 WeakPolarHBondContact CD2-O 3.29Å; L54-L59 HydrophobicContact CG-CB 4.37Å; L54-L59 HydrophobicContact CG-CD2 4.07Å; L54-L59 HydrophobicContact CG-CG 4.36Å; L54-V61 HydrophobicContact CD2-CG2 3.92Å; L54-L64 HydrophobicContact CD1-CD1 3.8Å; L54-L64 HydrophobicContact CD2-CD1 3.95Å; L54-L64 HydrophobicContact CG-CD1 4.42Å; L54-I108 HydrophobicContact CB-CG2 4.2Å; L54-L109 HydrophobicContact CD1-CD2 4.25Å; L54-K112 WeakPolarHBondContact O-CD 3.26Å; L54-K112 WeakPolarHBondContact O-CE 3.48Å; L54-K112 PolarHBondContact O-NZ 3.08Å
55R80.4Confident77.2Confident117 Ų11765.7 Ų65.744%0.44235%0.345SS..Hα-helixtrans-54.5-44176.9-72.6179.1-165.7163.13.3111.9L51 G57 D103 I108L51-R55 WeakPolarHBondContact O-CG 3.47Å; L51-R55 PolarHBondContact O-N 3.22Å; R55-G57 VanDerWaalsContact C-N 3.27Å; R55-G57 PolarHBondContact O-N 3.29Å; R55-D103 IonicContact CZ-OD1 3.74Å; R55-D103 IonicContact NE-OD1 3.21Å; R55-D103 IonicContact NH1-OD1 3.92Å; R55-D103 PolarHBondContact NH2-O 3.29Å; R55-D103 VanDerWaalsContact NH2-O 3.14Å; R55-D103 IonicContact NH2-OD1 3.42Å; R55-I108 HydrophobicContact CG-CD1 4.3Å; R55-I108 HydrophobicContact CG-CG1 4.34Å; R55-I108 HydrophobicContact CG-CG2 4.16Å; R55-I108 VanDerWaalsContact NH2-CD1 3.32Å
56R80.9Confident76.2Confident183 Ų18365.1 Ų65.169%0.69134%0.343SS*.THydrogen-bonded Turntrans-76.5-4.9178.8-71.2179.764.6-147.2-1.6114.7R52 R53 L54 S58R52-R56 WeakPolarHBondContact O-CB 3.32Å; R52-R56 WeakPolarHBondContact O-CG 3.41Å; R52-R56 PolarHBondContact O-N 3.19Å; R52-R56 VanDerWaalsContact O-N 3.12Å; R53-R56 CarbonylContact O-C 3.47Å; R53-R56 PolarHBondContact O-N 2.77Å; L54-R56 VanDerWaalsContact C-N 3.27Å; L54-R56 PolarHBondContact O-N 3.5Å; R56-S58 PolarHBondContact O-N 3.43Å
57G77.4Confident75.4Confident56 Ų5667.3 Ų67.358%0.57737%0.37SS*.THydrogen-bonded Turntrans71.311.3-176.400000114.7R53 L54 R55 L59R53-G57 PolarHBondContact O-N 3.49Å; R53-G57 VanDerWaalsContact O-N 3.08Å; L54-G57 PolarHBondContact O-N 2.91Å; R55-G57 VanDerWaalsContact C-N 3.27Å; R55-G57 PolarHBondContact O-N 3.29Å; G57-L59 VanDerWaalsContact C-N 3.3Å
58S78.8Confident74Confident56 Ų5668.4 Ų68.439%0.39238%0.377SS..SBendtrans-90.97.1177.6680000113.7R53 R56R53-S58 WeakPolarHBondContact CB-OG 3.32Å; R53-S58 PolarHBondContact NH2-O 2.95Å; R53-S58 PolarHBondContact O-N 3.49Å; R53-S58 PolarHBondContact O-OG 3.43Å; R56-S58 PolarHBondContact O-N 3.43Å
59L76.1Confident72.9Confident24 Ų2469.8 Ų69.813%0.12638%0.379CS..SBendtrans-142.4131171.6-175.264.3000107.2M50 R53 L54 G57 S63 L64M50-L59 HydrophobicContact CB-CD2 4.04Å; M50-L59 HydrophobicContact CE-CD2 3.77Å; M50-L59 HydrophobicContact CG-CD2 4.26Å; R53-L59 HydrophobicContact CB-CB 3.75Å; R53-L59 HydrophobicContact CB-CD2 4.4Å; R53-L59 PolarHBondContact O-N 3.42Å; L54-L59 HydrophobicContact CD2-CB 4.28Å; L54-L59 HydrophobicContact CD2-CD2 4.33Å; L54-L59 HydrophobicContact CD2-CG 4.16Å; L54-L59 WeakPolarHBondContact CD2-O 3.29Å; L54-L59 HydrophobicContact CG-CB 4.37Å; L54-L59 HydrophobicContact CG-CD2 4.07Å; L54-L59 HydrophobicContact CG-CG 4.36Å; G57-L59 VanDerWaalsContact C-N 3.3Å; L59-S63 WeakPolarHBondContact CD1-OG 3.48Å; L59-L64 HydrophobicContact CD2-CD2 4.28Å
60S80.8Confident71.7Confident46 Ų4669.3 Ų69.332%0.32238%0.377SS..  trans-93.2143.9176.81510000110.4R62 S63 E116S60-R62 PolarHBondContact O-N 2.83Å; S60-R62 VanDerWaalsContact OG-CB 3.32Å; S60-R62 WeakPolarHBondContact OG-CB 3.31Å; S60-R62 PolarHBondContact OG-N 3.34Å; S60-S63 WeakPolarHBondContact O-CB 3.36Å; S60-S63 PolarHBondContact O-N 2.83Å; S60-S63 VanDerWaalsContact O-N 3.08Å; S60-S63 PolarHBondContact O-OG 3.17Å; S60-E116 WeakPolarHBondContact CA-OE1 3.23Å; S60-E116 WeakPolarHBondContact CB-OE1 2.85Å; S60-E116 PolarHBondContact OG-OE1 3.35Å; S60-E116 PolarHBondContact OG-OE2 2.95Å
61V77.6Confident70.5Confident1 Ų175.5 Ų75.51%0.00641%0.405CS..G310 helixtrans-63.2-28.9177.4-176.10000111.6L54 S63 L64 L65 L109 K112 L113 E116L54-V61 HydrophobicContact CD2-CG2 3.92Å; V61-S63 PolarHBondContact O-N 3.25Å; V61-S63 VanDerWaalsContact O-N 3.16Å; V61-L64 HydrophobicContact CG1-CD1 4.31Å; V61-L64 WeakPolarHBondContact O-CA 3.24Å; V61-L64 VanDerWaalsContact O-CB 3.23Å; V61-L64 WeakPolarHBondContact O-CB 3.19Å; V61-L64 PolarHBondContact O-N 3.22Å; V61-L65 PolarHBondContact O-N 3.36Å; V61-L109 HydrophobicContact CG1-CD2 4.18Å; V61-L109 HydrophobicContact CG2-CD2 4.36Å; V61-K112 HydrophobicContact CG2-CB 3.34Å; V61-L113 HydrophobicContact CB-CD2 4.03Å; V61-L113 HydrophobicContact CB-CG 4.32Å; V61-L113 HydrophobicContact CG1-CD1 4.47Å; V61-L113 HydrophobicContact CG1-CD2 3.35Å; V61-L113 HydrophobicContact CG1-CG 3.68Å; V61-L113 HydrophobicContact CG2-CG 4.42Å; V61-E116 PolarHBondContact N-OE1 3.4Å; V61-E116 PolarHBondContact N-OE2 2.89Å
62R73.1Confident69.4Low77 Ų7779.8 Ų79.829%0.29143%0.434SS..G310 helixtrans-55.9-30.9173.4-171.3175.8179.5-157.92113.4S60 L64 L65 P69 L70 E116S60-R62 PolarHBondContact O-N 2.83Å; S60-R62 VanDerWaalsContact OG-CB 3.32Å; S60-R62 WeakPolarHBondContact OG-CB 3.31Å; S60-R62 PolarHBondContact OG-N 3.34Å; R62-L64 PolarHBondContact O-N 3.11Å; R62-L65 PolarHBondContact O-N 3.41Å; R62-P69 PolarHBondContact NH2-O 2.95Å; R62-L70 PolarHBondContact NH2-O 2.78Å; R62-E116 PolarHBondContact N-OE2 3.16Å
63S72.1Confident68.5Low66 Ų6674.6 Ų74.646%0.46242%0.422SS..G310 helixtrans-70.9-12.3175.171.50000113.7L59 S60 V61L59-S63 WeakPolarHBondContact CD1-OG 3.48Å; S60-S63 WeakPolarHBondContact O-CB 3.36Å; S60-S63 PolarHBondContact O-N 2.83Å; S60-S63 VanDerWaalsContact O-N 3.08Å; S60-S63 PolarHBondContact O-OG 3.17Å; V61-S63 PolarHBondContact O-N 3.25Å; V61-S63 VanDerWaalsContact O-N 3.16Å
64L71.7Confident67.5Low7 Ų772.7 Ų72.74%0.03742%0.424CS..G310 helixtrans-98.6-8.1178.8-48.7177.1000113L46 M50 L54 L59 V61 R62 L109 V159 V160L46-L64 HydrophobicContact CD1-CD1 4.11Å; L46-L64 HydrophobicContact CD2-CD1 3.9Å; L46-L64 HydrophobicContact CD2-CD2 3.85Å; L46-L64 HydrophobicContact CD2-CG 4.47Å; M50-L64 HydrophobicContact CE-CD2 3.3Å; L54-L64 HydrophobicContact CD1-CD1 3.8Å; L54-L64 HydrophobicContact CD2-CD1 3.95Å; L54-L64 HydrophobicContact CG-CD1 4.42Å; L59-L64 HydrophobicContact CD2-CD2 4.28Å; V61-L64 HydrophobicContact CG1-CD1 4.31Å; V61-L64 WeakPolarHBondContact O-CA 3.24Å; V61-L64 VanDerWaalsContact O-CB 3.23Å; V61-L64 WeakPolarHBondContact O-CB 3.19Å; V61-L64 PolarHBondContact O-N 3.22Å; R62-L64 PolarHBondContact O-N 3.11Å; L64-L109 HydrophobicContact CD1-CD2 3.85Å; L64-V159 WeakPolarHBondContact O-CG1 3.43Å; L64-V160 HydrophobicContact CB-CG2 4.15Å; L64-V160 HydrophobicContact CD2-CG2 3.88Å
65L71.3Confident66.5Low26 Ų2677.7 Ų77.714%0.13646%0.456CS..SBendtrans-101.9147.5-177.7-60.2-176.1000110.4L23 L25 V61 R62 L113 Y118 V159L23-L65 HydrophobicContact CD2-CD1 4.09Å; L23-L65 HydrophobicContact CD2-CD2 3.81Å; L23-L65 HydrophobicContact CD2-CG 4.45Å; L25-L65 HydrophobicContact CD1-CD2 4.08Å; L25-L65 HydrophobicContact CD2-CD2 4.2Å; V61-L65 PolarHBondContact O-N 3.36Å; R62-L65 PolarHBondContact O-N 3.41Å; L65-L113 HydrophobicContact CD1-CD2 4.32Å; L65-Y118 HydrophobicContact CD1-CE1 3.88Å; L65-V159 VanDerWaalsContact C-CG1 3.48Å
66P57.8Low66.3Low75 Ų7573.2 Ų73.249%0.48744%0.444SS..SBendtrans-74.7141.3-178.329.5-30.3000110.9L42 V159L42-P66 HydrophobicContact CD1-CG 3.92Å; P66-V159 HydrophobicContact CB-CB 4.47Å; P66-V159 HydrophobicContact CB-CG1 3.96Å; P66-V159 HydrophobicContact CB-CG2 3.63Å; P66-V159 HydrophobicContact CG-CG1 4.25Å; P66-V159 HydrophobicContact CG-CG2 3.7Å; P66-V159 VanDerWaalsContact N-CG1 3.31Å
67G58.4Low66.6Low63 Ų6365.9 Ų65.965%0.64942%0.42SS*.SBendtrans124.6164.9169.500000114.3
68P49Very low67.3Low96 Ų9663.3 Ų63.362%0.62339%0.393SS*.SBendtrans-63154.1175.126.3-32.2000110.4L70P68-L70 HydrophobicContact CG-CG 4.36Å; P68-L70 PolarHBondContact O-N 3.16Å
69P52.5Low67.9Low112 Ų11260.6 Ų60.673%0.72737%0.374SS*.  trans-66.884.4175.827.8-33.4000110.4R62R62-P69 PolarHBondContact NH2-O 2.95Å
70L52Low68.7Low115 Ų11559.5 Ų59.560%0.60237%0.368SS*.PPolyproline II helixtrans-79.6117.4169.3-65.6172.2000109.8R62 P68 P72R62-L70 PolarHBondContact NH2-O 2.78Å; P68-L70 HydrophobicContact CG-CG 4.36Å; P68-L70 PolarHBondContact O-N 3.16Å; L70-P72 CarbonylContact C-O 3.29Å; L70-P72 CarbonylContact O-C 3.31Å
71Q53.2Low69.3Low171 Ų17157.3 Ų57.380%0.79935%0.353SS*.SBendtrans-102128.7160.6-85.3-179.4-27.900106.9
72P55.7Low70Confident109 Ų10960.3 Ų60.371%0.70837%0.369SS*.SBendcis-76.51673.231.4-34.8000114.5L70L70-P72 CarbonylContact C-O 3.29Å; L70-P72 CarbonylContact O-C 3.31Å
73P58.7Low70.8Confident59 Ų5959.3 Ų59.338%0.38337%0.368SS..PPolyproline II helixtrans-55145173.223.5-33.3000110.7Y118P73-Y118 HydrophobicContact CB-CE1 4.22Å
74P59.1Low71.1Confident68 Ų6857 Ų5744%0.44236%0.355SS..PPolyproline II helixtrans-62.4144.3-178.125.8-32.9000110.2A76P74-A76 HydrophobicContact CB-CB 4.32Å; P74-A76 PolarHBondContact O-N 2.92Å
75P60.8Low70.3Confident105 Ų10561.9 Ų61.968%0.68239%0.39SS*.SBendtrans-701.5178.630.3-35.9000113.6
76A76Confident69.4Low22 Ų2264.7 Ų64.718%0.18242%0.424CS..  trans-68.5121.8-177.600000111.3Q21 P74Q21-A76 HydrophobicContact CB-CB 4.3Å; Q21-A76 WeakPolarHBondContact O-CA 3.4Å; Q21-A76 WeakPolarHBondContact O-CB 3.5Å; P74-A76 HydrophobicContact CB-CB 4.32Å; P74-A76 PolarHBondContact O-N 2.92Å
77P87.7Confident68.9Low29 Ų2970 Ų7019%0.18844%0.435CS..  trans-60.8149.7170.723.7-33.3000111.6Q21 L22 L23 L119 Y121Q21-P77 VanDerWaalsContact O-CD 3.28Å; Q21-P77 WeakPolarHBondContact O-CD 3.2Å; L22-P77 HydrophobicContact CD1-CB 3.89Å; L22-P77 HydrophobicContact CD1-CG 3.77Å; L22-P77 WeakPolarHBondContact CD1-O 3.25Å; L23-P77 PolarHBondContact N-O 2.93Å; P77-L119 CarbonylContact C-O 3.41Å; P77-L119 VanDerWaalsContact CA-O 3.31Å; P77-L119 WeakPolarHBondContact CA-O 3.31Å; P77-Y121 HydrophobicContact CB-CD2 4.32Å; P77-Y121 HydrophobicContact CB-CE2 3.99Å
78V90.2Very high67.9Low2 Ų271.9 Ų71.91%0.01244%0.438CS..EExtended strand (participates in β ladder)trans-114.7127.6176.1-173.60000108.8L23 L25 L80 L113 Y118 L119 S120 Y121L23-V78 HydrophobicContact CB-CG1 4.39Å; L23-V78 HydrophobicContact CB-CG2 4.21Å; L23-V78 HydrophobicContact CD2-CG1 4.33Å; L23-V78 HydrophobicContact CD2-CG2 4.13Å; L23-V78 CarbonylContact O-C 3.55Å; L23-V78 WeakPolarHBondContact O-CA 3.39Å; L25-V78 HydrophobicContact CD1-CG1 3.65Å; L25-V78 HydrophobicContact CG-CG1 3.95Å; V78-L80 HydrophobicContact CG1-CD1 4.25Å; V78-L113 HydrophobicContact CB-CD1 4.49Å; V78-L113 HydrophobicContact CG1-CD1 3.95Å; V78-Y118 HydrophobicContact CG2-CD1 4.18Å; V78-L119 PolarHBondContact N-O 3.49Å; V78-S120 CarbonylContact O-C 3.42Å; V78-S120 VanDerWaalsContact O-CA 3.25Å; V78-S120 WeakPolarHBondContact O-CA 3.42Å; V78-Y121 PolarHBondContact O-N 3.02Å
79L92.3Very high67.4Low0 Ų078 Ų780%045%0.449CS..EExtended strand (participates in β ladder)trans-116.7126174.1-175.779.7000110.1R6 W10 L11 L22 L23 L24 L25 Y121 L123R6-L79 HydrophobicContact CB-CD1 4.02Å; R6-L79 HydrophobicContact CG-CD1 4.13Å; W10-L79 HydrophobicContact CZ3-CD1 4.27Å; W10-L79 HydrophobicContact CZ3-CD2 4.26Å; L11-L79 HydrophobicContact CB-CD2 4.24Å; L11-L79 HydrophobicContact CD1-CD2 3.61Å; L11-L79 HydrophobicContact CD2-CD2 3.67Å; L11-L79 HydrophobicContact CG-CD2 4.03Å; L22-L79 HydrophobicContact CD1-CB 4.1Å; L23-L79 PolarHBondContact O-N 3.23Å; L24-L79 HydrophobicContact CD2-CB 3.91Å; L24-L79 HydrophobicContact CD2-CD2 3.75Å; L24-L79 HydrophobicContact CD2-CG 4.24Å; L25-L79 PolarHBondContact N-O 2.88Å; L79-Y121 WeakPolarHBondContact CA-O 3.47Å; L79-L123 HydrophobicContact CD2-CB 4.39Å
80L93.4Very high66.6Low0 Ų081.3 Ų81.30%045%0.454CS..EExtended strand (participates in β ladder)trans-105.6145.9177.7-56.596.1000110.9L25 V78 L106 L109 L110 L113 Y121 Y122 L123L25-L80 HydrophobicContact CB-CD2 4.44Å; L25-L80 HydrophobicContact CB-CG 4.2Å; L25-L80 HydrophobicContact CD1-CD2 4.15Å; L25-L80 HydrophobicContact CD1-CG 4.26Å; L25-L80 WeakPolarHBondContact O-CA 3.34Å; V78-L80 HydrophobicContact CG1-CD1 4.25Å; L80-L106 HydrophobicContact CB-CD1 4.29Å; L80-L106 HydrophobicContact CB-CG 4.21Å; L80-L109 HydrophobicContact CD2-CB 3.53Å; L80-L109 HydrophobicContact CD2-CD1 4.17Å; L80-L110 HydrophobicContact CD1-CD1 3.9Å; L80-L113 HydrophobicContact CD1-CD1 3.79Å; L80-L113 HydrophobicContact CD2-CD1 4.08Å; L80-L113 HydrophobicContact CG-CD1 4.41Å; L80-Y121 WeakPolarHBondContact CD1-O 3.49Å; L80-Y121 PolarHBondContact N-O 2.86Å; L80-Y122 CarbonylContact O-C 3.52Å; L80-Y122 WeakPolarHBondContact O-CA 3.45Å; L80-L123 PolarHBondContact O-N 2.91Å
81Y92.8Very high65.8Low0 Ų078.4 Ų78.40%045%0.452CS..EExtended strand (participates in β ladder)trans-145.8151.7173.167.4-93.8000112.4L25 D26 C27 I38 A41 L123 F127L25-Y81 PolarHBondContact O-N 3.27Å; L25-Y81 VanDerWaalsContact O-N 3.08Å; D26-Y81 HydrophobicContact CB-CE1 4.18Å; D26-Y81 HydrophobicContact CB-CE2 3.94Å; D26-Y81 WeakPolarHBondContact CB-OH 3.48Å; D26-Y81 VanDerWaalsContact CG-CZ 3.43Å; D26-Y81 VanDerWaalsContact CG-OH 3.25Å; D26-Y81 WeakPolarHBondContact OD2-CE2 3.38Å; D26-Y81 PolarHBondContact OD2-OH 3.34Å; C27-Y81 WeakPolarHBondContact CB-O 3.43Å; C27-Y81 PolarHBondContact N-O 3.37Å; I38-Y81 HydrophobicContact CB-CE1 4.26Å; I38-Y81 HydrophobicContact CD1-CD1 3.98Å; I38-Y81 HydrophobicContact CD1-CE1 3.75Å; I38-Y81 HydrophobicContact CD1-CE2 4.38Å; I38-Y81 HydrophobicContact CD1-CG 4.38Å; I38-Y81 HydrophobicContact CG1-CE1 4.06Å; I38-Y81 HydrophobicContact CG1-CE2 4.39Å; I38-Y81 PolarHBondContact N-OH 3.46Å; A41-Y81 HydrophobicContact CB-CE1 3.92Å; A41-Y81 WeakPolarHBondContact CB-OH 3.42Å; Y81-L123 HydrophobicContact CG-CD2 4.25Å; Y81-F127 HydrophobicContact CD2-CB 3.88Å; Y81-F127 HydrophobicContact CD2-CD2 4.42Å; Y81-F127 HydrophobicContact CE2-CB 3.99Å; Y81-F127 AromaticContact CE2-CD2 3.81Å; Y81-F127 HydrophobicContact CE2-CD2 3.81Å; Y81-F127 HydrophobicContact CE2-CG 4.26Å
82D91.4Very high65.2Low65 Ų6579.7 Ų79.735%0.34846%0.458SS..  trans-113.3-166.517372.2-12.9000109.9G84 L106 F127D82-G84 VanDerWaalsContact C-N 3.26Å; D82-G84 PolarHBondContact O-N 3.46Å; D82-G84 PolarHBondContact OD1-N 3.25Å; D82-L106 HydrophobicContact CB-CD1 4.03Å; D82-F127 WeakPolarHBondContact O-CB 3.36Å; D82-F127 PolarHBondContact O-N 3.36Å
83Q90.4Very high64.2Low55 Ų5578.6 Ų78.626%0.25746%0.458SS..  trans-69.5-27.2178.7-173.361.427.600111.9R28 L32 S128R28-Q83 VanDerWaalsContact CD-CA 3.47Å; R28-Q83 HydrophobicContact CG-CB 4.24Å; R28-Q83 VanDerWaalsContact CG-N 3.3Å; L32-Q83 HydrophobicContact CD1-CB 4.22Å; L32-Q83 HydrophobicContact CD1-CG 4.2Å; Q83-S128 PolarHBondContact NE2-OG 3.44Å; Q83-S128 WeakPolarHBondContact O-CB 3.22Å; Q83-S128 PolarHBondContact O-N 3.33Å; Q83-S128 VanDerWaalsContact O-N 3.08Å; Q83-S128 PolarHBondContact O-OG 3.36Å
84G79.1Confident63.2Low19 Ų1984.6 Ų84.620%0.19648%0.481CS..  trans73.390.5-168.500000110.9D82D82-G84 VanDerWaalsContact C-N 3.26Å; D82-G84 PolarHBondContact O-N 3.46Å; D82-G84 PolarHBondContact OD1-N 3.25Å
85S54.8Low62.3Low109 Ų10986.2 Ų86.276%0.76250%0.5SS*.  trans-78.9124.5166.9-62.50000108.6R87S85-R87 PolarHBondContact O-N 3.03Å
86G52.5Low61.2Low84 Ų8490 Ų9087%0.86651%0.509SS*.  trans-50.1106-173.900000114
87R46.1Very low59.6Low188 Ų18893.1 Ų93.171%0.70953%0.534SS*.  trans-10778.9153.8-72.9-172.4178.3-164.81.2107.4S85 R89 E99S85-R87 PolarHBondContact O-N 3.03Å; R87-R89 PolarHBondContact O-N 2.93Å; R87-R89 VanDerWaalsContact O-N 3.16Å; R87-E99 IonicContact NH1-OE2 2.75Å
88S39.3Very low57.7Low101 Ų10195.2 Ų95.271%0.70655%0.548SS*.  trans-67.4103.7156.2-175.50000106.5
89R37.9Very low55.7Low226 Ų226102.3 Ų102.385%0.85358%0.581SS**  trans-91.397.9149.7-96.2-171.3169.8-170.40.1106.3R87R87-R89 PolarHBondContact O-N 2.93Å; R87-R89 VanDerWaalsContact O-N 3.16Å
90H35.7Very low54.2Low180 Ų180106.5 Ų106.583%0.83360%0.597SS**  trans-58.3131.8145.9-91.5-70.1000108
91G35.3Very low52.6Low55 Ų55113.5 Ų113.557%0.56763%0.63SS**SBendtrans91.2104.8160.700000115.3
92E39.8Very low51.1Low198 Ų198116.3 Ų116.393%0.92565%0.653SS**  trans52.1141.4130.1-58.5178.5177.200120.9
93A34.8Very low50Low86 Ų86118.4 Ų118.471%0.71166%0.664SS**  trans85.298.1171.400000117.8
94E38.4Very low49.6Very low185 Ų185117.4 Ų117.486%0.86466%0.663SS**  50.9114.5126.4-61.2-175.3167.700120.4E96E94-E96 PolarHBondContact O-N 3.42Å
95A40.3Very low49.9Very low102 Ų102118.3 Ų118.384%0.84367%0.665SS**  trans53.558.7135.100000118.9
96E36.5Very low51.5Low185 Ų185113.9 Ų113.986%0.86463%0.632SS**  trans-131.5134.3153.1-70.5-164.2156.500110.5E94E94-E96 PolarHBondContact O-N 3.42Å
97A42.4Very low53.1Low86 Ų86109.9 Ų109.971%0.71159%0.591SS**  trans-54.7146.4-177.300000110.4E99A97-E99 PolarHBondContact O-N 3.4Å
98P48.2Very low55Low73 Ų73101.2 Ų101.247%0.47456%0.559SS.*  trans-63.6117.4177.611-3.8000107.9W100 Y122P98-W100 PolarHBondContact O-N 2.99Å; P98-Y122 HydrophobicContact CG-CE1 4.41Å; P98-Y122 WeakPolarHBondContact CG-OH 3.33Å
99E48.9Very low57.3Low151 Ų15196.5 Ų96.571%0.70653%0.525SS*.  trans-65.877.9165.1-69.1179.1153.600108.3R87 A97R87-E99 IonicContact NH1-OE2 2.75Å; A97-E99 PolarHBondContact O-N 3.4Å
100W59.8Low59.8Low89 Ų8985.9 Ų85.934%0.33749%0.486SS..  trans-64.2133.8154.749.2-82.8000106.2P98 A102 G107 Q111P98-W100 PolarHBondContact O-N 2.99Å; W100-A102 VanDerWaalsContact CZ3-CA 3.43Å; W100-A102 HydrophobicContact CZ3-CB 4.16Å; W100-A102 PolarHBondContact O-N 2.89Å; W100-G107 WeakPolarHBondContact CZ3-O 3.49Å; W100-Q111 HydrophobicContact CH2-CB 4.17Å
101E60Low62.2Low147 Ų14781.5 Ų81.569%0.68747%0.465SS*.  trans-56.3114.1171.2-74.6176.6-178.800106.9D103 S104E101-D103 PolarHBondContact O-N 3.2Å; E101-S104 WeakPolarHBondContact O-CB 3.38Å; E101-S104 PolarHBondContact O-N 3.4Å; E101-S104 PolarHBondContact O-OG 2.93Å
102A61.7Low64.7Low59 Ų5980 Ų8049%0.48844%0.444SS..THydrogen-bonded Turntrans-52.9-23.4-178.200000112.4W100 I108W100-A102 VanDerWaalsContact CZ3-CA 3.43Å; W100-A102 HydrophobicContact CZ3-CB 4.16Å; W100-A102 PolarHBondContact O-N 2.89Å; A102-I108 WeakPolarHBondContact O-CG1 3.5Å
103D67.6Low66.9Low108 Ų10870.6 Ų70.658%0.57840%0.4SS*.THydrogen-bonded Turntrans-90-5.7-179.7-72.1-50.6000115.5R55 E101 I108R55-D103 IonicContact CZ-OD1 3.74Å; R55-D103 IonicContact NE-OD1 3.21Å; R55-D103 IonicContact NH1-OD1 3.92Å; R55-D103 PolarHBondContact NH2-O 3.29Å; R55-D103 VanDerWaalsContact NH2-O 3.14Å; R55-D103 IonicContact NH2-OD1 3.42Å; E101-D103 PolarHBondContact O-N 3.2Å; D103-I108 VanDerWaalsContact O-CD1 3.32Å; D103-I108 WeakPolarHBondContact O-CD1 3.45Å
104S82.6Confident69.4Low34 Ų3472.9 Ų72.924%0.23839%0.39CS..SBendtrans-69.615317667.20000112.2E101 L106 G107 I108E101-S104 WeakPolarHBondContact O-CB 3.38Å; E101-S104 PolarHBondContact O-N 3.4Å; E101-S104 PolarHBondContact O-OG 2.93Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 3.28Å; S104-G107 PolarHBondContact O-N 3.2Å; S104-G107 PolarHBondContact OG-N 3.37Å; S104-G107 VanDerWaalsContact OG-N 3.13Å; S104-I108 WeakPolarHBondContact O-CD1 3.32Å; S104-I108 VanDerWaalsContact O-CG1 3.31Å; S104-I108 WeakPolarHBondContact O-CG1 3.44Å; S104-I108 PolarHBondContact O-N 2.74Å
105V84.9Confident71.7Confident39 Ų3969.4 Ų69.424%0.23637%0.373CS..Hα-helixtrans-56.2-47.4177.6177.30000111.1C27 L46 L51 G107 L109C27-V105 HydrophobicContact CB-CG1 4.18Å; L46-V105 HydrophobicContact CD1-CG1 4.34Å; L51-V105 HydrophobicContact CD1-CG2 3.93Å; L51-V105 HydrophobicContact CD2-CG1 4.44Å; L51-V105 HydrophobicContact CD2-CG2 4.23Å; V105-G107 VanDerWaalsContact C-N 3.34Å; V105-G107 PolarHBondContact O-N 2.81Å; V105-L109 HydrophobicContact CG1-CD1 3.83Å; V105-L109 WeakPolarHBondContact O-CB 3.35Å; V105-L109 WeakPolarHBondContact O-CG 3.22Å; V105-L109 PolarHBondContact O-N 3.02Å
106L88.8Confident73.7Confident16 Ų1667.4 Ų67.48%0.08435%0.347CS..Hα-helixtrans-59.4-45.7177.4-179147.7000111.2C27 L80 D82 S104 L110C27-L106 HydrophobicContact CB-CB 4.14Å; L80-L106 HydrophobicContact CB-CD1 4.29Å; L80-L106 HydrophobicContact CB-CG 4.21Å; D82-L106 HydrophobicContact CB-CD1 4.03Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 3.28Å; L106-L110 WeakPolarHBondContact O-CB 3.13Å; L106-L110 PolarHBondContact O-N 2.63Å
107G86Confident76Confident0 Ų061.3 Ų61.30%033%0.333CS..Hα-helixtrans-59.9-53.6179.600000113.9W100 S104 V105 L109 L110 Q111W100-G107 WeakPolarHBondContact CZ3-O 3.49Å; S104-G107 PolarHBondContact O-N 3.2Å; S104-G107 PolarHBondContact OG-N 3.37Å; S104-G107 VanDerWaalsContact OG-N 3.13Å; V105-G107 VanDerWaalsContact C-N 3.34Å; V105-G107 PolarHBondContact O-N 2.81Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 2.87Å; G107-L110 PolarHBondContact O-N 3.5Å; G107-Q111 WeakPolarHBondContact O-CB 3.48Å; G107-Q111 PolarHBondContact O-N 2.87Å
108I86.6Confident78.1Confident5 Ų558.2 Ų58.23%0.02630%0.303CS..Hα-helixtrans-60.3-45.2-179.4-65.1158.7000110.6L51 L54 R55 A102 D103 S104 K112L51-I108 HydrophobicContact CD2-CD1 4.02Å; L51-I108 HydrophobicContact CD2-CG2 4.49Å; L54-I108 HydrophobicContact CB-CG2 4.2Å; R55-I108 HydrophobicContact CG-CD1 4.3Å; R55-I108 HydrophobicContact CG-CG1 4.34Å; R55-I108 HydrophobicContact CG-CG2 4.16Å; R55-I108 VanDerWaalsContact NH2-CD1 3.32Å; A102-I108 WeakPolarHBondContact O-CG1 3.5Å; D103-I108 VanDerWaalsContact O-CD1 3.32Å; D103-I108 WeakPolarHBondContact O-CD1 3.45Å; S104-I108 WeakPolarHBondContact O-CD1 3.32Å; S104-I108 VanDerWaalsContact O-CG1 3.31Å; S104-I108 WeakPolarHBondContact O-CG1 3.44Å; S104-I108 PolarHBondContact O-N 2.74Å; I108-K112 HydrophobicContact CG2-CG 4.38Å; I108-K112 WeakPolarHBondContact O-CB 3.31Å; I108-K112 WeakPolarHBondContact O-CG 3.49Å; I108-K112 PolarHBondContact O-N 2.95Å
109L87.9Confident80Confident2 Ų259.7 Ų59.71%0.0131%0.307CS..Hα-helixtrans-66.3-44.4179.3-78.2173.6000112.2V44 L46 L54 V61 L64 L80 V105 G107 Q111 K112 L113V44-L109 HydrophobicContact CB-CD1 4.41Å; V44-L109 HydrophobicContact CG1-CD1 3.57Å; L46-L109 HydrophobicContact CD1-CD1 3.86Å; L46-L109 HydrophobicContact CD1-CD2 3.81Å; L46-L109 HydrophobicContact CD1-CG 3.93Å; L54-L109 HydrophobicContact CD1-CD2 4.25Å; V61-L109 HydrophobicContact CG1-CD2 4.18Å; V61-L109 HydrophobicContact CG2-CD2 4.36Å; L64-L109 HydrophobicContact CD1-CD2 3.85Å; L80-L109 HydrophobicContact CD2-CB 3.53Å; L80-L109 HydrophobicContact CD2-CD1 4.17Å; V105-L109 HydrophobicContact CG1-CD1 3.83Å; V105-L109 WeakPolarHBondContact O-CB 3.35Å; V105-L109 WeakPolarHBondContact O-CG 3.22Å; V105-L109 PolarHBondContact O-N 3.02Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 2.87Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 3.39Å; L109-K112 PolarHBondContact O-N 3.01Å; L109-L113 VanDerWaalsContact O-CB 3.31Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 WeakPolarHBondContact O-CD1 3.5Å; L109-L113 VanDerWaalsContact O-CG 3.28Å; L109-L113 WeakPolarHBondContact O-CG 3.32Å; L109-L113 PolarHBondContact O-N 3.25Å
110L88.5Confident82Confident3 Ų352.7 Ų52.72%0.01628%0.275CS..Hα-helixtrans-58.3-47.5177.6-177.568.5000110.3L4 L80 L106 G107 R114 S120 Y122L4-L110 HydrophobicContact CD1-CD2 4.24Å; L80-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 WeakPolarHBondContact O-CB 3.13Å; L106-L110 PolarHBondContact O-N 2.63Å; G107-L110 PolarHBondContact O-N 3.5Å; L110-R114 WeakPolarHBondContact O-CG 3.43Å; L110-R114 PolarHBondContact O-N 3.31Å; L110-S120 PolarHBondContact O-OG 3.43Å; L110-Y122 HydrophobicContact CD2-CD1 3.9Å
111Q87.1Confident83.5Confident88 Ų8849.9 Ų49.941%0.41126%0.264SS..Hα-helixtrans-59.9-51.3176.6-179.8178.8-12.100111.6W100 G107 L109 L113 R114 E115W100-Q111 HydrophobicContact CH2-CB 4.17Å; G107-Q111 WeakPolarHBondContact O-CB 3.48Å; G107-Q111 PolarHBondContact O-N 2.87Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 3.39Å; Q111-L113 PolarHBondContact O-N 3.38Å; Q111-R114 PolarHBondContact O-N 2.69Å; Q111-R114 VanDerWaalsContact O-N 3.15Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.45Å; Q111-E115 PolarHBondContact NE2-OE1 3.4Å; Q111-E115 PolarHBondContact O-N 2.87Å
112K87.1Confident85Confident25 Ų2544.5 Ų44.511%0.10924%0.238CC..Hα-helixtrans-67.7-36.8-174.7-69.8-75.7158.8-167.10113.2L54 V61 I108 L109 R114 E115 E116L54-K112 WeakPolarHBondContact O-CD 3.26Å; L54-K112 WeakPolarHBondContact O-CE 3.48Å; L54-K112 PolarHBondContact O-NZ 3.08Å; V61-K112 HydrophobicContact CG2-CB 3.34Å; I108-K112 HydrophobicContact CG2-CG 4.38Å; I108-K112 WeakPolarHBondContact O-CB 3.31Å; I108-K112 WeakPolarHBondContact O-CG 3.49Å; I108-K112 PolarHBondContact O-N 2.95Å; L109-K112 PolarHBondContact O-N 3.01Å; K112-R114 VanDerWaalsContact C-N 3.25Å; K112-R114 PolarHBondContact O-N 2.99Å; K112-E115 WeakPolarHBondContact CD-OE2 3.33Å; K112-E115 VanDerWaalsContact CE-OE2 3.32Å; K112-E115 WeakPolarHBondContact CE-OE2 2.84Å; K112-E115 IonicContact NZ-OE1 3.48Å; K112-E115 IonicContact NZ-OE2 3.87Å; K112-E115 PolarHBondContact NZ-OE2 2.94Å; K112-E115 PolarHBondContact O-N 3.11Å; K112-E116 WeakPolarHBondContact O-CG 3.07Å; K112-E116 PolarHBondContact O-N 3.44Å
113L87.3Confident86.5Confident0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-57.6-40.7172.4-80.1165.5000111.5L25 V61 L65 V78 L80 L109 Q111 E116 G117 Y118L25-L113 HydrophobicContact CD1-CD1 4.39Å; V61-L113 HydrophobicContact CB-CD2 4.03Å; V61-L113 HydrophobicContact CB-CG 4.32Å; V61-L113 HydrophobicContact CG1-CD1 4.47Å; V61-L113 HydrophobicContact CG1-CD2 3.35Å; V61-L113 HydrophobicContact CG1-CG 3.68Å; V61-L113 HydrophobicContact CG2-CG 4.42Å; L65-L113 HydrophobicContact CD1-CD2 4.32Å; V78-L113 HydrophobicContact CB-CD1 4.49Å; V78-L113 HydrophobicContact CG1-CD1 3.95Å; L80-L113 HydrophobicContact CD1-CD1 3.79Å; L80-L113 HydrophobicContact CD2-CD1 4.08Å; L80-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 VanDerWaalsContact O-CB 3.31Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 WeakPolarHBondContact O-CD1 3.5Å; L109-L113 VanDerWaalsContact O-CG 3.28Å; L109-L113 WeakPolarHBondContact O-CG 3.32Å; L109-L113 PolarHBondContact O-N 3.25Å; Q111-L113 PolarHBondContact O-N 3.38Å; L113-E116 CarbonylContact O-C 3.58Å; L113-E116 PolarHBondContact O-N 3.18Å; L113-G117 PolarHBondContact O-N 3.28Å; L113-Y118 HydrophobicContact CD2-CD1 4.26Å; L113-Y118 HydrophobicContact CD2-CD2 3.86Å; L113-Y118 HydrophobicContact CD2-CE2 4.35Å; L113-Y118 HydrophobicContact CD2-CG 3.81Å; L113-Y118 WeakPolarHBondContact O-CB 3.48Å; L113-Y118 WeakPolarHBondContact O-CD2 3.12Å; L113-Y118 PolarHBondContact O-N 2.82Å
114R86.4Confident87.6Confident134 Ų13440 Ų4051%0.50620%0.203SC..Hα-helixtrans-72.7-40.6179.2-65.1-170.368158.76.9112.9L4 L110 Q111 K112 E116 G117 S120L4-R114 VanDerWaalsContact CD1-NH1 3.31Å; L110-R114 WeakPolarHBondContact O-CG 3.43Å; L110-R114 PolarHBondContact O-N 3.31Å; Q111-R114 PolarHBondContact O-N 2.69Å; Q111-R114 VanDerWaalsContact O-N 3.15Å; K112-R114 VanDerWaalsContact C-N 3.25Å; K112-R114 PolarHBondContact O-N 2.99Å; R114-E116 PolarHBondContact O-N 3.13Å; R114-G117 PolarHBondContact O-N 2.92Å; R114-S120 WeakPolarHBondContact CG-OG 3.44Å
115E86.4Confident87.6Confident111 Ų11140.4 Ų40.452%0.51921%0.213SC..Hα-helixtrans-56.8-34.9172.9-72174.7-169.500111.2Q111 K112 G117Q111-E115 WeakPolarHBondContact CG-OE1 3.45Å; Q111-E115 PolarHBondContact NE2-OE1 3.4Å; Q111-E115 PolarHBondContact O-N 2.87Å; K112-E115 WeakPolarHBondContact CD-OE2 3.33Å; K112-E115 VanDerWaalsContact CE-OE2 3.32Å; K112-E115 WeakPolarHBondContact CE-OE2 2.84Å; K112-E115 IonicContact NZ-OE1 3.48Å; K112-E115 IonicContact NZ-OE2 3.87Å; K112-E115 PolarHBondContact NZ-OE2 2.94Å; K112-E115 PolarHBondContact O-N 3.11Å; E115-G117 VanDerWaalsContact C-N 3.33Å
116E83.9Confident87.9Confident60 Ų6038.6 Ų38.628%0.2820%0.202SC..THydrogen-bonded Turntrans-87.87.9176.8-66.9-177.3-145.200114.2S60 V61 R62 K112 L113 R114 Y118S60-E116 WeakPolarHBondContact CA-OE1 3.23Å; S60-E116 WeakPolarHBondContact CB-OE1 2.85Å; S60-E116 PolarHBondContact OG-OE1 3.35Å; S60-E116 PolarHBondContact OG-OE2 2.95Å; V61-E116 PolarHBondContact N-OE1 3.4Å; V61-E116 PolarHBondContact N-OE2 2.89Å; R62-E116 PolarHBondContact N-OE2 3.16Å; K112-E116 WeakPolarHBondContact O-CG 3.07Å; K112-E116 PolarHBondContact O-N 3.44Å; L113-E116 CarbonylContact O-C 3.58Å; L113-E116 PolarHBondContact O-N 3.18Å; R114-E116 PolarHBondContact O-N 3.13Å; E116-Y118 HydrophobicContact CB-CD2 4Å; E116-Y118 HydrophobicContact CB-CE2 4.02Å
117G83.9Confident88.2Confident57 Ų5738 Ų3859%0.58820%0.199SC*.THydrogen-bonded Turntrans85.612171.100000116.2L113 R114 E115L113-G117 PolarHBondContact O-N 3.28Å; R114-G117 PolarHBondContact O-N 2.92Å; E115-G117 VanDerWaalsContact C-N 3.33Å
118Y85.9Confident88.4Confident21 Ų2140.1 Ų40.18%0.08221%0.214CC..  trans-78.8144.7175.5-67.1-99.6000111.8L65 P73 V78 L113 E116 S120L65-Y118 HydrophobicContact CD1-CE1 3.88Å; P73-Y118 HydrophobicContact CB-CE1 4.22Å; V78-Y118 HydrophobicContact CG2-CD1 4.18Å; L113-Y118 HydrophobicContact CD2-CD1 4.26Å; L113-Y118 HydrophobicContact CD2-CD2 3.86Å; L113-Y118 HydrophobicContact CD2-CE2 4.35Å; L113-Y118 HydrophobicContact CD2-CG 3.81Å; L113-Y118 WeakPolarHBondContact O-CB 3.48Å; L113-Y118 WeakPolarHBondContact O-CD2 3.12Å; L113-Y118 PolarHBondContact O-N 2.82Å; E116-Y118 HydrophobicContact CB-CD2 4Å; E116-Y118 HydrophobicContact CB-CE2 4.02Å; Y118-S120 PolarHBondContact O-N 3.36Å; Y118-S120 VanDerWaalsContact O-N 3.13Å
119L88.8Confident88.6Confident104 Ų10444.7 Ų44.755%0.54523%0.234SC..  trans-77.491.7166.7-66.8178.7000109.1P77 V78P77-L119 CarbonylContact C-O 3.41Å; P77-L119 VanDerWaalsContact CA-O 3.31Å; P77-L119 WeakPolarHBondContact CA-O 3.31Å; V78-L119 PolarHBondContact N-O 3.49Å
120S90.3Very high88.9Confident4 Ų444.6 Ų44.63%0.02823%0.233CC..EExtended strand (participates in β ladder)trans-112.5142.2-176.9630000113.7L4 V78 L110 R114 Y118L4-S120 VanDerWaalsContact CD2-O 3.28Å; L4-S120 WeakPolarHBondContact CD2-O 3.28Å; V78-S120 CarbonylContact O-C 3.42Å; V78-S120 VanDerWaalsContact O-CA 3.25Å; V78-S120 WeakPolarHBondContact O-CA 3.42Å; L110-S120 PolarHBondContact O-OG 3.43Å; R114-S120 WeakPolarHBondContact CG-OG 3.44Å; Y118-S120 PolarHBondContact O-N 3.36Å; Y118-S120 VanDerWaalsContact O-N 3.13Å
121Y92.1Very high89.1Confident30 Ų3047.7 Ų47.712%0.11825%0.247CC..EExtended strand (participates in β ladder)trans-134.1166.1-178-57.1-63.7000110.4L4 R6 W10 P77 V78 L79 L80L4-Y121 HydrophobicContact CD2-CD1 4.49Å; L4-Y121 WeakPolarHBondContact O-CA 3.33Å; L4-Y121 WeakPolarHBondContact O-CB 3.03Å; R6-Y121 HydrophobicContact CG-CD1 4.4Å; R6-Y121 HydrophobicContact CG-CG 4.01Å; R6-Y121 VanDerWaalsContact CZ-CD1 3.46Å; R6-Y121 PolarHBondContact NH2-OH 3.31Å; W10-Y121 HydrophobicContact CH2-CD2 4.26Å; P77-Y121 HydrophobicContact CB-CD2 4.32Å; P77-Y121 HydrophobicContact CB-CE2 3.99Å; V78-Y121 PolarHBondContact O-N 3.02Å; L79-Y121 WeakPolarHBondContact CA-O 3.47Å; L80-Y121 WeakPolarHBondContact CD1-O 3.49Å; L80-Y121 PolarHBondContact N-O 2.86Å
122Y92.1Very high89.2Confident34 Ų3447.4 Ų47.413%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-124.5153.4168.972.9-89.6000112.3L4 G5 R6 L80 P98 L110 Q124L4-Y122 HydrophobicContact CB-CD1 3.88Å; L4-Y122 HydrophobicContact CB-CE1 3.62Å; L4-Y122 PolarHBondContact O-N 3.43Å; G5-Y122 CarbonylContact C-O 3.58Å; G5-Y122 VanDerWaalsContact CA-CE1 3.5Å; G5-Y122 WeakPolarHBondContact CA-O 3.43Å; G5-Y122 VanDerWaalsContact N-CE1 3.31Å; R6-Y122 PolarHBondContact N-O 3.2Å; L80-Y122 CarbonylContact O-C 3.52Å; L80-Y122 WeakPolarHBondContact O-CA 3.45Å; P98-Y122 HydrophobicContact CG-CE1 4.41Å; P98-Y122 WeakPolarHBondContact CG-OH 3.33Å; L110-Y122 HydrophobicContact CD2-CD1 3.9Å; Y122-Q124 HydrophobicContact CE2-CG 3.92Å
123L92.8Very high89.4Confident3 Ų350.3 Ų50.32%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-81.9118.1178.1-17558.5000111.4L11 I38 L79 L80 Y81 G125 G126 F130L11-L123 HydrophobicContact CB-CD1 4.19Å; L11-L123 HydrophobicContact CD2-CD1 3.87Å; L11-L123 HydrophobicContact CD2-CD2 3.91Å; L11-L123 HydrophobicContact CD2-CG 4.49Å; I38-L123 HydrophobicContact CD1-CD2 3.79Å; L79-L123 HydrophobicContact CD2-CB 4.39Å; L80-L123 PolarHBondContact O-N 2.91Å; Y81-L123 HydrophobicContact CG-CD2 4.25Å; L123-G125 PolarHBondContact O-N 3.18Å; L123-G126 PolarHBondContact O-N 3.03Å; L123-F130 HydrophobicContact CD1-CD2 4.35Å; L123-F130 HydrophobicContact CD2-CB 3.84Å; L123-F130 HydrophobicContact CD2-CD2 4.3Å; L123-F130 HydrophobicContact CD2-CG 4.15Å
124Q89.9Confident89.6Confident70 Ų7050.4 Ų50.433%0.32728%0.275SS..THydrogen-bonded Turntrans-69124.7177.7-69.9177-10.400111.1R6 Y122 G126R6-Q124 WeakPolarHBondContact O-CB 3.45Å; R6-Q124 PolarHBondContact O-N 3.37Å; Y122-Q124 HydrophobicContact CE2-CG 3.92Å; Q124-G126 VanDerWaalsContact C-N 3.29Å
125G84Confident89.7Confident43 Ų4347.8 Ų47.844%0.44328%0.276SS..THydrogen-bonded Turntrans82.92.8-177.200000114.4L123 K129L123-G125 PolarHBondContact O-N 3.18Å; G125-K129 VanDerWaalsContact O-CB 3.25Å; G125-K129 WeakPolarHBondContact O-CB 3.44Å; G125-K129 PolarHBondContact O-N 3.34Å
126G91.2Very high89.9Confident1 Ų148.1 Ų48.11%0.0128%0.277CS..Hα-helixtrans61.9-166.5174.500000114.2L123 Q124 S128 F130L123-G126 PolarHBondContact O-N 3.03Å; Q124-G126 VanDerWaalsContact C-N 3.29Å; G126-S128 PolarHBondContact O-N 2.95Å; G126-F130 PolarHBondContact O-N 2.92Å
127F93.9Very high90.1Very high2 Ų246.8 Ų46.81%0.00927%0.271CS..Hα-helixtrans-61.3-42-179.3-178.3-101.6000112.6R28 A36 I38 Y81 D82 K129 F130 Q131 C138R28-F127 VanDerWaalsContact CZ-CG 3.5Å; A36-F127 HydrophobicContact CB-CE1 3.84Å; A36-F127 HydrophobicContact CB-CZ 3.63Å; I38-F127 HydrophobicContact CD1-CD2 4.45Å; I38-F127 HydrophobicContact CG1-CD2 3.83Å; I38-F127 HydrophobicContact CG1-CE2 3.91Å; Y81-F127 HydrophobicContact CD2-CB 3.88Å; Y81-F127 HydrophobicContact CD2-CD2 4.42Å; Y81-F127 HydrophobicContact CE2-CB 3.99Å; Y81-F127 AromaticContact CE2-CD2 3.81Å; Y81-F127 HydrophobicContact CE2-CD2 3.81Å; Y81-F127 HydrophobicContact CE2-CG 4.26Å; D82-F127 WeakPolarHBondContact O-CB 3.36Å; D82-F127 PolarHBondContact O-N 3.36Å; F127-K129 VanDerWaalsContact C-N 3.33Å; F127-K129 PolarHBondContact O-N 2.57Å; F127-F130 PolarHBondContact O-N 3.31Å; F127-F130 VanDerWaalsContact O-N 3.16Å; F127-Q131 HydrophobicContact CD1-CB 4.41Å; F127-Q131 HydrophobicContact CE1-CB 4.01Å; F127-Q131 HydrophobicContact CE1-CG 4.24Å; F127-Q131 HydrophobicContact CZ-CB 4.1Å; F127-Q131 HydrophobicContact CZ-CG 4.24Å; F127-Q131 WeakPolarHBondContact O-CB 3.29Å; F127-Q131 PolarHBondContact O-N 2.88Å; F127-C138 HydrophobicContact CZ-CB 4.45Å
128S90.4Very high90.4Very high46 Ų4644.8 Ų44.832%0.32225%0.248SC..Hα-helixtrans-58.8-43.6-175.6-56.20000112.2Q83 G126 A132Q83-S128 PolarHBondContact NE2-OG 3.44Å; Q83-S128 WeakPolarHBondContact O-CB 3.22Å; Q83-S128 PolarHBondContact O-N 3.33Å; Q83-S128 VanDerWaalsContact O-N 3.08Å; Q83-S128 PolarHBondContact O-OG 3.36Å; G126-S128 PolarHBondContact O-N 2.95Å; S128-A132 PolarHBondContact O-N 3.34Å
129K91.2Very high90.5Very high101 Ų10147.5 Ų47.544%0.43926%0.262SS..Hα-helixtrans-68.1-43.4177.3-173.5178.3177.21760111.6G125 F127 A132 E133G125-K129 VanDerWaalsContact O-CB 3.25Å; G125-K129 WeakPolarHBondContact O-CB 3.44Å; G125-K129 PolarHBondContact O-N 3.34Å; F127-K129 VanDerWaalsContact C-N 3.33Å; F127-K129 PolarHBondContact O-N 2.57Å; K129-A132 PolarHBondContact O-N 3.3Å; K129-E133 WeakPolarHBondContact CE-OE1 3.17Å; K129-E133 WeakPolarHBondContact CG-OE1 3.44Å; K129-E133 PolarHBondContact O-N 3Å; K129-E133 VanDerWaalsContact O-N 3.08Å
130F93.3Very high90.3Very high0 Ų045.4 Ų45.40%025%0.253CS..Hα-helixtrans-65.4-41.4-179.8-173.4-92.6000112.5C8 L11 L15 I38 L123 G126 F127 A132 E133 C134 L137C8-F130 HydrophobicContact CB-CD2 3.8Å; C8-F130 VanDerWaalsContact SG-CA 3.59Å; L11-F130 HydrophobicContact CB-CD2 4.46Å; L11-F130 HydrophobicContact CB-CE2 3.89Å; L11-F130 HydrophobicContact CD2-CD2 3.84Å; L11-F130 HydrophobicContact CD2-CE1 4.48Å; L11-F130 HydrophobicContact CD2-CE2 3.55Å; L11-F130 HydrophobicContact CD2-CG 4.43Å; L11-F130 HydrophobicContact CD2-CZ 3.89Å; L11-F130 HydrophobicContact CG-CD2 4.38Å; L11-F130 HydrophobicContact CG-CE2 3.66Å; L11-F130 HydrophobicContact CG-CZ 4.01Å; L15-F130 HydrophobicContact CD1-CZ 4.09Å; I38-F130 HydrophobicContact CB-CE1 4.48Å; I38-F130 HydrophobicContact CD1-CB 4.48Å; I38-F130 HydrophobicContact CD1-CD1 3.53Å; I38-F130 HydrophobicContact CD1-CE1 3.84Å; I38-F130 HydrophobicContact CD1-CG 3.95Å; I38-F130 HydrophobicContact CD1-CZ 4.49Å; I38-F130 HydrophobicContact CG1-CD1 3.72Å; I38-F130 HydrophobicContact CG1-CE1 3.9Å; I38-F130 HydrophobicContact CG2-CE1 3.9Å; I38-F130 HydrophobicContact CG2-CZ 4.4Å; L123-F130 HydrophobicContact CD1-CD2 4.35Å; L123-F130 HydrophobicContact CD2-CB 3.84Å; L123-F130 HydrophobicContact CD2-CD2 4.3Å; L123-F130 HydrophobicContact CD2-CG 4.15Å; G126-F130 PolarHBondContact O-N 2.92Å; F127-F130 PolarHBondContact O-N 3.31Å; F127-F130 VanDerWaalsContact O-N 3.16Å; F130-A132 VanDerWaalsContact C-N 3.3Å; F130-A132 PolarHBondContact O-N 3.03Å; F130-E133 PolarHBondContact O-N 3.41Å; F130-C134 HydrophobicContact CD1-CB 4.4Å; F130-C134 HydrophobicContact CE1-CB 3.99Å; F130-C134 HydrophobicContact CE2-CB 4.14Å; F130-C134 HydrophobicContact CZ-CB 3.86Å; F130-C134 WeakPolarHBondContact O-CA 3.41Å; F130-C134 WeakPolarHBondContact O-CB 3.48Å; F130-C134 PolarHBondContact O-N 2.87Å; F130-L137 HydrophobicContact CE1-CB 4.06Å; F130-L137 HydrophobicContact CZ-CB 4.16Å; F130-L137 HydrophobicContact CZ-CD1 4.15Å
131Q93.3Very high89.1Confident67 Ų6749 Ų4931%0.31328%0.278SS..Hα-helixtrans-61.7-39.1175.9-174.5-178.835.800111.8F127 P135F127-Q131 HydrophobicContact CD1-CB 4.41Å; F127-Q131 HydrophobicContact CE1-CB 4.01Å; F127-Q131 HydrophobicContact CE1-CG 4.24Å; F127-Q131 HydrophobicContact CZ-CB 4.1Å; F127-Q131 HydrophobicContact CZ-CG 4.24Å; F127-Q131 WeakPolarHBondContact O-CB 3.29Å; F127-Q131 PolarHBondContact O-N 2.88Å; Q131-P135 WeakPolarHBondContact O-CA 3.42Å; Q131-P135 WeakPolarHBondContact O-CB 3.13Å; Q131-P135 WeakPolarHBondContact O-CD 3.48Å
132A89.3Confident87Confident83 Ų8357.1 Ų57.169%0.68632%0.315SS*.Hα-helixtrans-66.9-39.3176.400000112.7S128 K129 F130S128-A132 PolarHBondContact O-N 3.34Å; K129-A132 PolarHBondContact O-N 3.3Å; F130-A132 VanDerWaalsContact C-N 3.3Å; F130-A132 PolarHBondContact O-N 3.03Å
133E91.7Very high84.8Confident86 Ų8660.2 Ų60.240%0.40234%0.341SS..Hα-helixtrans-83.5-32.5-178.5-68.6-177.7-154.500113.4C8 K129 F130C8-E133 WeakPolarHBondContact CB-OE2 3.28Å; K129-E133 WeakPolarHBondContact CE-OE1 3.17Å; K129-E133 WeakPolarHBondContact CG-OE1 3.44Å; K129-E133 PolarHBondContact O-N 3Å; K129-E133 VanDerWaalsContact O-N 3.08Å; F130-E133 PolarHBondContact O-N 3.41Å
134C89.9Confident82.3Confident1 Ų163.8 Ų63.81%0.00738%0.378CS..  trans-136.256.2-170.7-620000112.7F130 H136 L137F130-C134 HydrophobicContact CD1-CB 4.4Å; F130-C134 HydrophobicContact CE1-CB 3.99Å; F130-C134 HydrophobicContact CE2-CB 4.14Å; F130-C134 HydrophobicContact CZ-CB 3.86Å; F130-C134 WeakPolarHBondContact O-CA 3.41Å; F130-C134 WeakPolarHBondContact O-CB 3.48Å; F130-C134 PolarHBondContact O-N 2.87Å; C134-H136 PolarHBondContact O-N 3.29Å; C134-H136 VanDerWaalsContact O-N 3.14Å; C134-L137 HydrophobicContact CB-CB 4.47Å; C134-L137 HydrophobicContact CB-CD1 4.33Å; C134-L137 PolarHBondContact O-N 3.33Å
135P90.2Very high79.5Confident80 Ų8066.5 Ų66.552%0.51940%0.404SS..G310 helixtrans-61.9-28.3-174.524.1-34.4000113.8Q131 L137 C138Q131-P135 WeakPolarHBondContact O-CA 3.42Å; Q131-P135 WeakPolarHBondContact O-CB 3.13Å; Q131-P135 WeakPolarHBondContact O-CD 3.48Å; P135-L137 PolarHBondContact O-N 3.34Å; P135-C138 PolarHBondContact O-N 3.13Å
136H89.2Confident77Confident117 Ų11769.1 Ų69.154%0.54242%0.421SS..G310 helixtrans-70.8-13.5178.462-78.7000114.2C134C134-H136 PolarHBondContact O-N 3.29Å; C134-H136 VanDerWaalsContact O-N 3.14Å
137L89.6Confident74Confident33 Ų3372.5 Ų72.517%0.17346%0.456CS..G310 helixtrans-101.413.7174.5-61.9179000111.9R12 L15 C39 F130 C134 P135R12-L137 HydrophobicContact CB-CD1 4.29Å; R12-L137 HydrophobicContact CG-CD1 3.92Å; L15-L137 HydrophobicContact CB-CD1 4.43Å; L15-L137 HydrophobicContact CD1-CD1 4.29Å; C39-L137 PolarHBondContact N-O 2.7Å; C39-L137 PolarHBondContact SG-O 3.23Å; F130-L137 HydrophobicContact CE1-CB 4.06Å; F130-L137 HydrophobicContact CZ-CB 4.16Å; F130-L137 HydrophobicContact CZ-CD1 4.15Å; C134-L137 HydrophobicContact CB-CB 4.47Å; C134-L137 HydrophobicContact CB-CD1 4.33Å; C134-L137 PolarHBondContact O-N 3.33Å; P135-L137 PolarHBondContact O-N 3.34Å
138C90.4Very high70.9Confident15 Ų1578.3 Ų78.310%0.10150%0.497CS..EExtended strand (participates in β ladder)trans-115.6138.5174.7-62.10000110.3R37 F127 P135R37-C138 CarbonylContact O-C 3.53Å; R37-C138 WeakPolarHBondContact O-CA 3.41Å; R37-C138 WeakPolarHBondContact O-CB 3.38Å; F127-C138 HydrophobicContact CZ-CB 4.45Å; P135-C138 PolarHBondContact O-N 3.13Å
139E87.1Confident68.5Low77 Ų7782.1 Ų82.136%0.3652%0.524SS..EExtended strand (participates in β ladder)trans-89.9135.2169.3-66.9169.1-159.900108.8A36 R37 C39A36-E139 CarbonylContact C-O 3.17Å; A36-E139 WeakPolarHBondContact CA-O 3.37Å; R37-E139 HydrophobicContact CG-CB 4.17Å; R37-E139 IonicContact CZ-OE2 3.13Å; R37-E139 PolarHBondContact N-O 2.87Å; R37-E139 IonicContact NE-OE2 2.88Å; R37-E139 PolarHBondContact NE-OE2 3.31Å; R37-E139 IonicContact NH2-OE2 2.6Å; R37-E139 PolarHBondContact NH2-OE2 2.83Å; R37-E139 PolarHBondContact O-N 2.9Å; C39-E139 HydrophobicContact CB-CG 4.47Å
140T85.4Confident65.7Low61 Ų6185.4 Ų85.437%0.37455%0.545SS..EExtended strand (participates in β ladder)trans-127.1147.217462.30000109.8A36 F142 S143A36-T140 HydrophobicContact CB-CG2 3.87Å; T140-F142 PolarHBondContact O-N 2.86Å; T140-S143 PolarHBondContact O-N 2.6Å; T140-S143 PolarHBondContact OG1-OG 3.08Å
141S65.3Low62.7Low78 Ų7889.6 Ų89.655%0.54558%0.58SS.*THydrogen-bonded Turntrans-66-5.7-173.3-10.30000114.7E34 S35E34-S141 PolarHBondContact O-OG 2.9Å; S35-S141 WeakPolarHBondContact CA-OG 3.46Å; S35-S141 PolarHBondContact O-N 3.31Å; S35-S141 PolarHBondContact O-OG 3.3Å; S35-S141 VanDerWaalsContact O-OG 3.07Å
142F48Very low59.7Low202 Ų20291.6 Ų91.689%0.88661%0.608SS**THydrogen-bonded Turntrans-111.311.5-176-80.2-80000115.2T140 G144T140-F142 PolarHBondContact O-N 2.86Å; F142-G144 PolarHBondContact O-N 2.8Å
143S44.3Very low57Low99 Ų9995.2 Ų95.269%0.69262%0.615SS**  trans-93.381.9176-62.30000111.7T140T140-S143 PolarHBondContact O-N 2.6Å; T140-S143 PolarHBondContact OG1-OG 3.08Å
144G41.3Very low54.2Low77 Ų7796.5 Ų96.579%0.79463%0.631SS**  trans-95.1107.9154.800000109.7F142F142-G144 PolarHBondContact O-N 2.8Å
145C30.2Very low51.5Low127 Ų127101.3 Ų101.386%0.85866%0.664SS**  trans-179.6132.6134.9-138.20000113.4
146A31.3Very low48.9Very low98 Ų98101 Ų10181%0.8166%0.662SS**  trans48.3116.9138.400000121.5
147G29.6Very low46.6Very low73 Ų73100.9 Ų100.975%0.75367%0.67SS**  trans118.274.4132.900000117.1
148S28.8Very low44.2Very low124 Ų124103.5 Ų103.587%0.86769%0.689SS**  -179.8125.3128.5-81.40000110.5L150S148-L150 PolarHBondContact O-N 3.33Å; S148-L150 VanDerWaalsContact O-N 3.16Å
149S39.4Very low42.2Very low126 Ų126104.3 Ų104.388%0.88169%0.693SS**  trans-57.7108.2174.2176.90000111.1
150L32.9Very low40Very low169 Ų169103.3 Ų103.389%0.88569%0.692SS**  trans-153.2137.8152-89.5171.6000107S148S148-L150 PolarHBondContact O-N 3.33Å; S148-L150 VanDerWaalsContact O-N 3.16Å
151A30.1Very low37.8Very low88 Ų88104.2 Ų104.273%0.72771%0.714SS**  trans-38.4132.6-167.300000115.3L153A151-L153 PolarHBondContact O-N 3.06Å
152A29.1Very low36.4Very low109 Ų109106.7 Ų106.790%0.90172%0.72SS**  trans-54.3105.6171.800000110.3
153L32.4Very low35.6Very low159 Ų159101 Ų10183%0.83272%0.718SS**PPolyproline II helixtrans-75.7143.6168.6-83.7149.8000109A151A151-L153 PolarHBondContact O-N 3.06Å
154P33.6Very low35.2Very low114 Ų11499.4 Ų99.474%0.7472%0.718SS**PPolyproline II helixtrans-63.7143.7-178.126.2-31.9000110.8
155S32.9Very low34.8Very low101 Ų101101.7 Ų101.771%0.70671%0.711SS**PPolyproline II helixtrans-54139.8174.351.80000111.1V157S155-V157 PolarHBondContact O-N 3.25Å; S155-V157 VanDerWaalsContact O-N 3.16Å
156P37.1Very low34.8Very low74 Ų74101.9 Ų101.948%0.48171%0.712SS.*PPolyproline II helixtrans-69.3118.8-176.125.9-30.8000110
157V40.1Very low34.8Very low115 Ų115104.5 Ų104.570%0.69771%0.712SS**PPolyproline II helixtrans-66.1131.1173-175.30000108.4S155 V159S155-V157 PolarHBondContact O-N 3.25Å; S155-V157 VanDerWaalsContact O-N 3.16Å; V157-V159 PolarHBondContact O-N 2.78Å
158P38.7Very low34.7Very low88 Ų88104.4 Ų104.457%0.57171%0.711SS**PPolyproline II helixtrans-61.4126.7176.724.7-32.4000109.4V160P158-V160 VanDerWaalsContact C-N 3.34Å; P158-V160 PolarHBondContact O-N 2.96Å
159V47.9Very low34.9Very low31 Ų31103.6 Ų103.619%0.18871%0.705CS.*SBendtrans-83.688.1176.8-169.80000107.8L42 L64 L65 P66 V157L42-V159 HydrophobicContact CD1-CG2 4.06Å; L42-V159 HydrophobicContact CD2-CG2 4.4Å; L64-V159 WeakPolarHBondContact O-CG1 3.43Å; L65-V159 VanDerWaalsContact C-CG1 3.48Å; P66-V159 HydrophobicContact CB-CB 4.47Å; P66-V159 HydrophobicContact CB-CG1 3.96Å; P66-V159 HydrophobicContact CB-CG2 3.63Å; P66-V159 HydrophobicContact CG-CG1 4.25Å; P66-V159 HydrophobicContact CG-CG2 3.7Å; P66-V159 VanDerWaalsContact N-CG1 3.31Å; V157-V159 PolarHBondContact O-N 2.78Å
160V42Very low34.4Very low56 Ų56105.1 Ų105.134%0.33970%0.704SS.*SBend173.8107128.6179.80000105.3M50 L64 P158 L162M50-V160 HydrophobicContact CE-CG1 4.21Å; L64-V160 HydrophobicContact CB-CG2 4.15Å; L64-V160 HydrophobicContact CD2-CG2 3.88Å; P158-V160 VanDerWaalsContact C-N 3.34Å; P158-V160 PolarHBondContact O-N 2.96Å; V160-L162 VanDerWaalsContact C-N 3.29Å; V160-L162 PolarHBondContact O-N 3.16Å
161G38.3Very low34.4Very low81 Ų81103.6 Ų103.684%0.83570%0.701SS**SBendtrans4823.514400000121.3
162L36.9Very low34.6Very low130 Ų130104.6 Ų104.668%0.68170%0.703SS**  trans-141.569.9171.7-84.4166000109V160 G164V160-L162 VanDerWaalsContact C-N 3.29Å; V160-L162 PolarHBondContact O-N 3.16Å; L162-G164 PolarHBondContact O-N 3.43Å
163G31.1Very low34.8Very low82 Ų82107.4 Ų107.485%0.84570%0.703SS**  trans-70.8112.1168.600000110
164G35.4Very low35Very low66 Ų66104.6 Ų104.668%0.6870%0.702SS**  trans129.152.3161.200000116.6L162L162-G164 PolarHBondContact O-N 3.43Å
165L32.3Very low35.2Very low124 Ų124108.3 Ų108.365%0.64971%0.71SS**  trans-137.386.8156.7-69.6176.6000109.4R30R30-L165 PolarHBondContact NH2-O 2.85Å
166C30.2Very low35.4Very low132 Ų132109.5 Ų109.589%0.89272%0.718SS**  trans-85.9104.2154.8-61.40000106.4
167L31.5Very low35.4Very low152 Ų152115 Ų11580%0.79674%0.737SS**  trans-90.798.4162.3-74168.2000105.8S169L167-S169 PolarHBondContact O-N 2.71Å
168G28.9Very low35.2Very low71 Ų71113.6 Ų113.673%0.73274%0.738SS**  trans-71.3111162.900000107.7
169S31.7Very low34.9Very low107 Ų107115 Ų11575%0.74874%0.741SS**  trans-88.893.2161-69.90000107.1L167L167-S169 PolarHBondContact O-N 2.71Å
170D28.5Very low34.4Very low159 Ų159122.8 Ų122.885%0.8577%0.767SS**  trans-97.2107.7160.8-73.9-29.9000107.5
171T34.7Very low33.8Very low136 Ų136126.7 Ų126.783%0.83479%0.786SS**  trans-80.1121160.356.90000107.1
172S32.4Very low33.6Very low110 Ų110128.7 Ų128.777%0.76979%0.787SS**  trans-130102.9163.362.20000109.4
173D34.4Very low33.5Very low168 Ų168131.3 Ų131.390%0.89880%0.798SS**  trans-73128.1149.9-75.8-40.7000108.2
174A35.7Very low33.7Very low99 Ų99132.3 Ų132.382%0.81879%0.792SS**  trans174.296.4143.700000109.4
175E38.5Very low33.4Very low192 Ų192134.7 Ų134.790%0.89780%0.797SS**  trans-85.5124.7155.6-62.9-142.4129.600108.5
176S37.3Very low33.3Very low126 Ų126132 Ų13288%0.88180%0.799SS**  trans-160.4125.6151.9-76.60000109.6
177E37.6Very low33.5Very low189 Ų189134 Ų13488%0.88380%0.8SS**  trans-73.5165.1-173.4-71.1-84125.100115.2
178A34.6Very low33.6Very low86 Ų86133.9 Ų133.971%0.71180%0.8SS**  trans102.8122.9137.500000121.9
179D32.3Very low33.9Very low118 Ų118136.1 Ų136.163%0.63181%0.805SS**  trans91108.2135.1-85.8-21.2000122.3
180R37.9Very low34Very low194 Ų194139.6 Ų139.673%0.73281%0.809SS**  99123.7119.5-72.9176.8-157.9165.712.9123.6
181D30.8Very low34.1Very low139 Ų139136.3 Ų136.374%0.74380%0.798SS**  trans58.1116.9135.2-61.5-35.2000121.7
182S33.6Very low34Very low122 Ų122136.4 Ų136.485%0.85380%0.799SS**  167.7146.1104.4-78.40000114.2
183M34.9Very low34.1Very low185 Ų185137.7 Ų137.791%0.91180%0.802SS**  trans-67.5148.2-179.9-63-89.6-17900114.3
184S34Very low34.2Very low104 Ų104134.4 Ų134.473%0.72779%0.793SS**  168149.711372.50000114.1
185C29.5Very low34.2Very low116 Ų116135.2 Ų135.278%0.78479%0.789SS**  trans7.9133.6158.454.10000119.6
186G31.6Very low34.3Very low67 Ų67132 Ų13269%0.69179%0.786SS**  93.3110.650.600000109.4
187L32.6Very low34.4Very low175 Ų175130.8 Ų130.892%0.91678%0.783SS**  trans169.9139.3146.2-90.1170.7000111.7
188D34.3Very low34.2Very low149 Ų149125.2 Ų125.280%0.79778%0.776SS**  trans-68.5149.6-180-52.8-69.9000113.8
189S35.5Very low34.7Very low117 Ų117128.9 Ų128.982%0.81878%0.783SS**  trans176.6113.6133.5-790000113.1
190E33.3Very low35.4Very low180 Ų180130.3 Ų130.384%0.84179%0.79SS**  trans26.7117.8141.5-72.7-175.996.200122.6
191S31.7Very low36.2Very low90 Ų90124 Ų12463%0.62977%0.774SS**  52.498.3128.274.20000119.8
192T32.3Very low38.1Very low139 Ų139122.9 Ų122.985%0.85377%0.774SS**  trans-120.2104.9135540000108.2S194T192-S194 PolarHBondContact O-N 2.87Å
193T33.4Very low40.4Very low136 Ų136121 Ų12183%0.83475%0.751SS**  trans-66.7108.6-174.1-44.80000111.4
194S36.2Very low43.1Very low99 Ų99112.5 Ų112.569%0.69271%0.709SS**PPolyproline II helixtrans-87.8145.7158.9-57.30000109T192T192-S194 PolarHBondContact O-N 2.87Å
195P36.3Very low46.1Very low116 Ų116107.9 Ų107.975%0.75368%0.677SS**PPolyproline II helixtrans-66157.3-170.828.8-34.4000112.2A197P195-A197 PolarHBondContact O-N 2.77Å
196P39.9Very low49.3Very low126 Ų126106.6 Ų106.682%0.81866%0.659SS**PPolyproline II helixtrans-69.7131.6-165.828.4-32.8000111.4G198P196-G198 PolarHBondContact O-N 3.2Å
197A39.8Very low52.5Low100 Ų100103.4 Ų103.483%0.82663%0.626SS**  trans-61.997.4164.600000108.7P195 L199P195-A197 PolarHBondContact O-N 2.77Å; A197-L199 VanDerWaalsContact C-N 3.3Å; A197-L199 PolarHBondContact O-N 2.65Å
198G34.5Very low55.5Low71 Ų7196.8 Ų96.873%0.73259%0.592SS**  trans-66.386.217500000111.4P196 L200P196-G198 PolarHBondContact O-N 3.2Å; G198-L200 PolarHBondContact O-N 3.34Å
199L44.7Very low58.5Low163 Ų16394.5 Ų94.585%0.85359%0.585SS**  trans38.275.2144.6-62.7163.3000115.6A197A197-L199 VanDerWaalsContact C-N 3.3Å; A197-L199 PolarHBondContact O-N 2.65Å
200L46.3Very low61.5Low149 Ų14990.9 Ų90.978%0.7856%0.557SS**PPolyproline II helixtrans-59.9127.6149.1-70.6172000106.7G198G198-L200 PolarHBondContact O-N 3.34Å
201P54.9Low64.6Low60 Ų6082.3 Ų82.339%0.3952%0.517SS..PPolyproline II helixtrans-56.3143177.621.5-31000109.3F203P201-F203 WeakPolarHBondContact O-CD2 3.35Å; P201-F203 PolarHBondContact O-N 2.72Å; P201-F203 VanDerWaalsContact O-N 3.16Å
202P70.4Confident67.8Low117 Ų11778.8 Ų78.876%0.7649%0.489SS*.PPolyproline II helixtrans-57125177.723.5-31.8000108.8P204P202-P204 CarbonylContact O-C 3.5Å
203F81.7Confident71Confident82 Ų8272.1 Ų72.136%0.3645%0.449SS..SBendtrans-89.4144.4171.4-71.2-76.8000109.3P201 V205 D218 K324P201-F203 WeakPolarHBondContact O-CD2 3.35Å; P201-F203 PolarHBondContact O-N 2.72Å; P201-F203 VanDerWaalsContact O-N 3.16Å; F203-V205 HydrophobicContact CD1-CG2 3.64Å; F203-V205 HydrophobicContact CE1-CG2 3.51Å; F203-V205 HydrophobicContact CZ-CG2 4.45Å; F203-D218 VanDerWaalsContact CB-OD1 3.32Å; F203-D218 WeakPolarHBondContact CB-OD1 3.37Å; F203-K324 HydrophobicContact CE1-CD 4.44Å
204P93.1Very high74Confident6 Ų665.7 Ų65.74%0.03941%0.41CS..SBendcis-69.8151.9-4.430.6-35.7000113.1P202 D218 L228 I230 L287P202-P204 CarbonylContact O-C 3.5Å; P204-D218 HydrophobicContact CB-CB 4.03Å; P204-D218 HydrophobicContact CG-CB 4.38Å; P204-L228 HydrophobicContact CG-CD1 3.63Å; P204-I230 HydrophobicContact CG-CD1 4.25Å; P204-L287 HydrophobicContact CB-CD1 3.63Å; P204-L287 HydrophobicContact CG-CD1 4.07Å
205V95.5Very high76.8Confident8 Ų861.9 Ų61.95%0.04838%0.383CS..EExtended strand (participates in β ladder)trans-80.9126.4-174.2178.20000110.4F203 I207 Y212 L213 K323 K324F203-V205 HydrophobicContact CD1-CG2 3.64Å; F203-V205 HydrophobicContact CE1-CG2 3.51Å; F203-V205 HydrophobicContact CZ-CG2 4.45Å; V205-I207 HydrophobicContact CG1-CD1 4.03Å; V205-I207 PolarHBondContact O-N 3.14Å; V205-Y212 CarbonylContact O-C 3.59Å; V205-Y212 WeakPolarHBondContact O-CA 3.41Å; V205-L213 PolarHBondContact N-O 2.75Å; V205-L213 PolarHBondContact O-N 2.85Å; V205-K323 HydrophobicContact CG1-CB 3.8Å; V205-K324 HydrophobicContact CG2-CB 4.42Å; V205-K324 HydrophobicContact CG2-CD 4.37Å
206Q97.4Very high79.6Confident88 Ų8857.3 Ų57.341%0.41136%0.355SS..EExtended strand (participates in β ladder)trans-77110.6176.3-170.3178.826.100112L208 Y212 K323Q206-L208 WeakPolarHBondContact CG-O 3.1Å; Q206-Y212 HydrophobicContact CB-CD1 3.75Å; Q206-Y212 HydrophobicContact CB-CE1 3.6Å; Q206-Y212 HydrophobicContact CG-CD1 4.07Å; Q206-Y212 HydrophobicContact CG-CE1 3.67Å; Q206-K323 VanDerWaalsContact O-CD 3.25Å; Q206-K323 WeakPolarHBondContact O-CD 3.37Å; Q206-K323 PolarHBondContact O-NZ 3.33Å
207I97.8Very high82.2Confident0 Ų061.5 Ų61.50%035%0.354CS..EExtended strand (participates in β ladder)trans-85.9-44.5-178.9-57.6-58.2000111.7V205 L211 L213 T301 L305 L319 V320 K323V205-I207 HydrophobicContact CG1-CD1 4.03Å; V205-I207 PolarHBondContact O-N 3.14Å; I207-L211 HydrophobicContact CB-CG 4.43Å; I207-L211 PolarHBondContact N-O 3.03Å; I207-L213 HydrophobicContact CD1-CB 4.14Å; I207-L213 HydrophobicContact CD1-CD2 4.2Å; I207-L213 HydrophobicContact CG1-CB 3.68Å; I207-L213 HydrophobicContact CG1-CD2 4.44Å; I207-T301 HydrophobicContact CB-CG2 4.32Å; I207-T301 HydrophobicContact CG1-CG2 4.11Å; I207-T301 HydrophobicContact CG2-CG2 3.91Å; I207-L305 HydrophobicContact CG2-CD1 3.96Å; I207-L305 HydrophobicContact CG2-CD2 4.31Å; I207-L319 HydrophobicContact CG2-CD2 3.86Å; I207-V320 HydrophobicContact CD1-CG1 4.01Å; I207-V320 HydrophobicContact CG2-CG2 4.21Å; I207-K323 HydrophobicContact CD1-CB 4.18Å; I207-K323 HydrophobicContact CD1-CD 4.21Å; I207-K323 PolarHBondContact O-NZ 3.33Å
208L96.9Very high84.8Confident37 Ų3757.7 Ų57.719%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-132.8168168.7-63176.9000108.7Q206 N210 L211 Y304 L305 L309Q206-L208 WeakPolarHBondContact CG-O 3.1Å; L208-N210 PolarHBondContact O-N 2.99Å; L208-N210 VanDerWaalsContact O-N 3.15Å; L208-L211 HydrophobicContact CB-CB 4.04Å; L208-L211 HydrophobicContact CB-CD2 4.44Å; L208-L211 HydrophobicContact CD1-CD2 4.16Å; L208-L211 HydrophobicContact CG-CD2 4.35Å; L208-L211 PolarHBondContact N-O 3.41Å; L208-L211 PolarHBondContact O-N 3.28Å; L208-Y304 HydrophobicContact CD1-CE1 4.27Å; L208-L305 HydrophobicContact CD1-CD2 3.58Å; L208-L305 HydrophobicContact CD2-CD2 4.23Å; L208-L305 HydrophobicContact CG-CD2 3.89Å; L208-L309 HydrophobicContact CD1-CD1 4.1Å; L208-L309 HydrophobicContact CD2-CD1 4.12Å
209P97.3Very high87.8Confident101 Ų10154.8 Ų54.866%0.65629%0.288SS*.THydrogen-bonded Turntrans-45.6126.2166.4-28.837.4000110.4L211P209-L211 PolarHBondContact O-N 3.31Å
210N97.9Very high90.1Very high41 Ų4149.1 Ų49.122%0.21927%0.265CS..THydrogen-bonded Turntrans60.91.3-177.1-59.1-22.4000118L208 L280 N283 G285 V286L208-N210 PolarHBondContact O-N 2.99Å; L208-N210 VanDerWaalsContact O-N 3.15Å; N210-L280 HydrophobicContact CB-CD2 3.57Å; N210-N283 PolarHBondContact ND2-OD1 2.83Å; N210-G285 CarbonylContact O-C 3.55Å; N210-G285 WeakPolarHBondContact O-CA 3.43Å; N210-V286 PolarHBondContact O-N 3.17Å
211L98.6Very high92.4Very high0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-107.1116.2173.4174.559.7000110.9I207 L208 P209 I276 V286 V288 Y304I207-L211 HydrophobicContact CB-CG 4.43Å; I207-L211 PolarHBondContact N-O 3.03Å; L208-L211 HydrophobicContact CB-CB 4.04Å; L208-L211 HydrophobicContact CB-CD2 4.44Å; L208-L211 HydrophobicContact CD1-CD2 4.16Å; L208-L211 HydrophobicContact CG-CD2 4.35Å; L208-L211 PolarHBondContact N-O 3.41Å; L208-L211 PolarHBondContact O-N 3.28Å; P209-L211 PolarHBondContact O-N 3.31Å; L211-I276 HydrophobicContact CD1-CG2 3.97Å; L211-V286 HydrophobicContact CB-CG1 4.44Å; L211-V286 HydrophobicContact CD1-CG1 3.77Å; L211-V288 HydrophobicContact CD1-CG2 3.94Å; L211-Y304 HydrophobicContact CD2-CD1 3.72Å; L211-Y304 HydrophobicContact CD2-CE1 3.92Å
212Y98.8Very high94.3Very high15 Ų1546.5 Ų46.56%0.05925%0.249CC..EExtended strand (participates in β ladder)trans-116.8142.9-176.5-57.8-90.4000111.7V205 Q206 L228 I230 V286 V288V205-Y212 CarbonylContact O-C 3.59Å; V205-Y212 WeakPolarHBondContact O-CA 3.41Å; Q206-Y212 HydrophobicContact CB-CD1 3.75Å; Q206-Y212 HydrophobicContact CB-CE1 3.6Å; Q206-Y212 HydrophobicContact CG-CD1 4.07Å; Q206-Y212 HydrophobicContact CG-CE1 3.67Å; Y212-L228 HydrophobicContact CD1-CD1 4.08Å; Y212-L228 HydrophobicContact CE1-CB 4.3Å; Y212-L228 HydrophobicContact CE1-CD1 3.99Å; Y212-L228 HydrophobicContact CE1-CD2 3.87Å; Y212-L228 HydrophobicContact CE1-CG 4.28Å; Y212-L228 HydrophobicContact CE2-CB 4.28Å; Y212-L228 PolarHBondContact OH-O 3.17Å; Y212-I230 HydrophobicContact CD2-CD1 3.83Å; Y212-I230 HydrophobicContact CD2-CG1 3.8Å; Y212-I230 HydrophobicContact CE2-CD1 4.3Å; Y212-I230 HydrophobicContact CE2-CG1 4.01Å; Y212-I230 HydrophobicContact CG-CD1 4.07Å; Y212-V286 PolarHBondContact N-O 2.66Å; Y212-V288 PolarHBondContact O-N 3.21Å
213L98.6Very high95.4Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-115.8127.8176.6171.666.6000109.9V205 I207 V288 S297 V298 V320 K324V205-L213 PolarHBondContact N-O 2.75Å; V205-L213 PolarHBondContact O-N 2.85Å; I207-L213 HydrophobicContact CD1-CB 4.14Å; I207-L213 HydrophobicContact CD1-CD2 4.2Å; I207-L213 HydrophobicContact CG1-CB 3.68Å; I207-L213 HydrophobicContact CG1-CD2 4.44Å; L213-V288 WeakPolarHBondContact CA-O 3.37Å; L213-S297 WeakPolarHBondContact CD1-OG 3.32Å; L213-V298 HydrophobicContact CD1-CG2 4.25Å; L213-V298 HydrophobicContact CD2-CG2 3.86Å; L213-V320 HydrophobicContact CD2-CG1 3.71Å; L213-K324 HydrophobicContact CD2-CD 3.94Å; L213-K324 HydrophobicContact CG-CD 4.46Å
214G96.6Very high96Very high1 Ų145.6 Ų45.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-151.1-169-176.700000115.9D218 V288 H289 G293G214-D218 WeakPolarHBondContact CA-OD2 3.39Å; G214-V288 PolarHBondContact N-O 3.09Å; G214-H289 WeakPolarHBondContact O-CA 3.35Å; G214-H289 WeakPolarHBondContact O-CB 3.33Å; G214-G293 WeakPolarHBondContact O-CA 3.49Å
215S96.3Very high96.1Very high19 Ų1945.3 Ų45.313%0.13324%0.236CC..  trans-114177.2-178.769.60000111R217 D218 S219 C290 L291S215-R217 PolarHBondContact O-N 3.44Å; S215-R217 PolarHBondContact OG-N 3.27Å; S215-D218 WeakPolarHBondContact CB-OD2 3.5Å; S215-D218 PolarHBondContact N-OD2 3.19Å; S215-D218 PolarHBondContact O-N 3.07Å; S215-D218 VanDerWaalsContact O-N 3.16Å; S215-D218 PolarHBondContact OG-OD2 2.87Å; S215-S219 PolarHBondContact O-N 2.9Å; S215-C290 CarbonylContact C-O 3.51Å; S215-C290 VanDerWaalsContact C-O 3.29Å; S215-L291 WeakPolarHBondContact CB-O 3.4Å
216A94.7Very high96.1Very high20 Ų2047.7 Ų47.717%0.16526%0.256CS..Hα-helixtrans-58.1-34.1174.100000112.7D218 S219 A220 L240 C290 L291A216-D218 VanDerWaalsContact C-N 3.34Å; A216-S219 WeakPolarHBondContact CA-OG 3.31Å; A216-S219 PolarHBondContact O-N 2.73Å; A216-S219 PolarHBondContact O-OG 3.28Å; A216-A220 PolarHBondContact O-N 2.78Å; A216-L240 HydrophobicContact CB-CD1 4.28Å; A216-L240 HydrophobicContact CB-CD2 3.42Å; A216-L240 VanDerWaalsContact CB-CD2 3.42Å; A216-C290 PolarHBondContact N-O 3.34Å; A216-L291 HydrophobicContact CB-CD1 4.2Å; A216-L291 PolarHBondContact N-O 3.02Å
217R94.6Very high96Very high213 Ų21352.1 Ų52.180%0.80427%0.274SS*.Hα-helixtrans-66.4-39.5178.2-64.3-178.5179.6173.4-1.3111.2S215 A220 N221S215-R217 PolarHBondContact O-N 3.44Å; S215-R217 PolarHBondContact OG-N 3.27Å; R217-A220 PolarHBondContact O-N 3.19Å; R217-N221 PolarHBondContact O-N 3.33Å
218D94.8Very high95.9Very high21 Ų2154.4 Ų54.411%0.11229%0.286CS..Hα-helixtrans-68.4-38.9-180-53.9-53000111.2F203 P204 G214 S215 A216 A220 N221 L287F203-D218 VanDerWaalsContact CB-OD1 3.32Å; F203-D218 WeakPolarHBondContact CB-OD1 3.37Å; P204-D218 HydrophobicContact CB-CB 4.03Å; P204-D218 HydrophobicContact CG-CB 4.38Å; G214-D218 WeakPolarHBondContact CA-OD2 3.39Å; S215-D218 WeakPolarHBondContact CB-OD2 3.5Å; S215-D218 PolarHBondContact N-OD2 3.19Å; S215-D218 PolarHBondContact O-N 3.07Å; S215-D218 VanDerWaalsContact O-N 3.16Å; S215-D218 PolarHBondContact OG-OD2 2.87Å; A216-D218 VanDerWaalsContact C-N 3.34Å; D218-A220 PolarHBondContact O-N 3.34Å; D218-N221 PolarHBondContact O-N 2.83Å; D218-L287 HydrophobicContact CB-CD2 4.46Å
219S96.2Very high95.9Very high9 Ų954.3 Ų54.36%0.06329%0.294CS..Hα-helixtrans-67.4-17.3174.457.80000114.2S215 A216 F244 H289S215-S219 PolarHBondContact O-N 2.9Å; A216-S219 WeakPolarHBondContact CA-OG 3.31Å; A216-S219 PolarHBondContact O-N 2.73Å; A216-S219 PolarHBondContact O-OG 3.28Å; S219-F244 WeakPolarHBondContact O-CE2 3.42Å; S219-H289 PolarHBondContact OG-CE1 2.81Å; S219-H289 PolarHBondContact OG-ND1 2.91Å
220A94.5Very high96Very high45 Ų4549.5 Ų49.537%0.37226%0.263SS..THydrogen-bonded Turntrans-93.7-7.6178.800000113.5A216 R217 D218 L222 L243 F244A216-A220 PolarHBondContact O-N 2.78Å; R217-A220 PolarHBondContact O-N 3.19Å; D218-A220 PolarHBondContact O-N 3.34Å; A220-L222 PolarHBondContact O-N 2.82Å; A220-L243 HydrophobicContact CB-CD1 3.32Å; A220-F244 WeakPolarHBondContact O-CZ 3.03Å
221N94.1Very high96Very high74 Ų7451.4 Ų51.440%0.39627%0.267SS..  trans-94.690.1-175.6-172.3-27.8000111.1R217 D218 E223 S224 L225R217-N221 PolarHBondContact O-N 3.33Å; D218-N221 PolarHBondContact O-N 2.83Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.35Å; N221-E223 PolarHBondContact OD1-N 2.9Å; N221-S224 VanDerWaalsContact CG-CB 3.49Å; N221-S224 PolarHBondContact O-N 3.14Å; N221-S224 PolarHBondContact OD1-N 3.11Å; N221-L225 VanDerWaalsContact O-CG 3.27Å; N221-L225 WeakPolarHBondContact O-CG 3.38Å; N221-L225 PolarHBondContact O-N 3.05Å
222L94.4Very high96Very high80 Ų8052 Ų5242%0.41927%0.269SS..Hα-helixtrans-57.6-38.5-177.9-171.164.8000113.3A220 L225 A226 F244 F250A220-L222 PolarHBondContact O-N 2.82Å; L222-L225 PolarHBondContact O-N 3.03Å; L222-A226 WeakPolarHBondContact O-CB 3.49Å; L222-A226 PolarHBondContact O-N 3.3Å; L222-F244 HydrophobicContact CB-CE1 4.28Å; L222-F244 HydrophobicContact CB-CE2 4.27Å; L222-F244 HydrophobicContact CB-CZ 3.83Å; L222-F244 HydrophobicContact CD1-CD1 4.3Å; L222-F244 HydrophobicContact CD1-CD2 4.22Å; L222-F244 HydrophobicContact CD1-CE1 4.26Å; L222-F244 HydrophobicContact CD1-CE2 4.19Å; L222-F244 HydrophobicContact CD1-CG 4.29Å; L222-F244 HydrophobicContact CD1-CZ 4.21Å; L222-F250 HydrophobicContact CD1-CE2 3.63Å; L222-F250 HydrophobicContact CD1-CZ 3.67Å
223E93.9Very high96Very high158 Ų15851.2 Ų51.274%0.73827%0.266SS*.Hα-helixtrans-64.7-47.2178.9-174-174.117200111.1N221 L225 A226 K227N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.35Å; N221-E223 PolarHBondContact OD1-N 2.9Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 3.46Å; E223-A226 PolarHBondContact O-N 3.04Å; E223-K227 WeakPolarHBondContact O-CB 3.47Å; E223-K227 PolarHBondContact O-N 3.31Å
224S94.4Very high96Very high21 Ų2151.2 Ų51.215%0.14727%0.266CS..Hα-helixtrans-63.5-40.8176.7-172.50000111.8N221 K227 L228N221-S224 VanDerWaalsContact CG-CB 3.49Å; N221-S224 PolarHBondContact O-N 3.14Å; N221-S224 PolarHBondContact OD1-N 3.11Å; S224-K227 PolarHBondContact O-N 3.35Å; S224-L228 WeakPolarHBondContact O-CB 3.47Å; S224-L228 VanDerWaalsContact O-CG 3.29Å; S224-L228 WeakPolarHBondContact O-CG 3.36Å; S224-L228 PolarHBondContact O-N 2.88Å; S224-L228 VanDerWaalsContact O-N 3.09Å
225L95.8Very high96.1Very high1 Ų151.2 Ų51.21%0.00527%0.266CS..Hα-helixtrans-60.9-46.8176.6-68171.6000110.9N221 L222 E223 L228 G229 I230 I233 F244 F250 L287N221-L225 VanDerWaalsContact O-CG 3.27Å; N221-L225 WeakPolarHBondContact O-CG 3.38Å; N221-L225 PolarHBondContact O-N 3.05Å; L222-L225 PolarHBondContact O-N 3.03Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 3.46Å; L225-L228 PolarHBondContact O-N 3.45Å; L225-G229 PolarHBondContact O-N 3.19Å; L225-I230 HydrophobicContact CB-CB 4.39Å; L225-I230 HydrophobicContact CD2-CB 3.93Å; L225-I230 HydrophobicContact CD2-CD1 3.87Å; L225-I230 HydrophobicContact CD2-CG2 3.7Å; L225-I230 PolarHBondContact O-N 3.49Å; L225-I233 HydrophobicContact CD1-CD1 3.92Å; L225-I233 HydrophobicContact CD2-CD1 4.21Å; L225-F244 HydrophobicContact CD1-CD2 3.99Å; L225-F244 HydrophobicContact CD1-CE2 3.83Å; L225-F250 HydrophobicContact CB-CE1 4.06Å; L225-F250 HydrophobicContact CB-CZ 4.14Å; L225-F250 HydrophobicContact CD1-CE1 4.06Å; L225-F250 HydrophobicContact CD1-CZ 4.02Å; L225-L287 HydrophobicContact CD2-CD2 3.86Å
226A94.7Very high96.2Very high57 Ų5750.3 Ų50.347%0.47126%0.259SS..Hα-helixtrans-63.7-46.4178.100000112.1L222 E223 L228 G229L222-A226 WeakPolarHBondContact O-CB 3.49Å; L222-A226 PolarHBondContact O-N 3.3Å; E223-A226 PolarHBondContact O-N 3.04Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.27Å; A226-G229 PolarHBondContact O-N 3.24Å; A226-G229 VanDerWaalsContact O-N 3.07Å
227K95.6Very high96.2Very high182 Ų18249.6 Ų49.679%0.79125%0.253SS*.Hα-helixtrans-60.2-35.5179.8-176.2177.5-179.5177.10112.9E223 S224 G229E223-K227 WeakPolarHBondContact O-CB 3.47Å; E223-K227 PolarHBondContact O-N 3.31Å; S224-K227 PolarHBondContact O-N 3.35Å; K227-G229 VanDerWaalsContact C-N 3.31Å
228L96.1Very high95.9Very high48 Ų4841.6 Ų41.625%0.25123%0.229SC..THydrogen-bonded Turntrans-88.62.7179.7-64.8175.4000113.3P204 Y212 S224 L225 A226 I230P204-L228 HydrophobicContact CG-CD1 3.63Å; Y212-L228 HydrophobicContact CD1-CD1 4.08Å; Y212-L228 HydrophobicContact CE1-CB 4.3Å; Y212-L228 HydrophobicContact CE1-CD1 3.99Å; Y212-L228 HydrophobicContact CE1-CD2 3.87Å; Y212-L228 HydrophobicContact CE1-CG 4.28Å; Y212-L228 HydrophobicContact CE2-CB 4.28Å; Y212-L228 PolarHBondContact OH-O 3.17Å; S224-L228 WeakPolarHBondContact O-CB 3.47Å; S224-L228 VanDerWaalsContact O-CG 3.29Å; S224-L228 WeakPolarHBondContact O-CG 3.36Å; S224-L228 PolarHBondContact O-N 2.88Å; S224-L228 VanDerWaalsContact O-N 3.09Å; L225-L228 PolarHBondContact O-N 3.45Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.27Å; L228-I230 HydrophobicContact CB-CD1 3.73Å; L228-I230 HydrophobicContact CB-CG1 3.9Å; L228-I230 HydrophobicContact CD1-CD1 3.93Å; L228-I230 HydrophobicContact CG-CD1 4.5Å; L228-I230 PolarHBondContact O-N 3.42Å
229G96.6Very high95.6Very high35 Ų3547.7 Ų47.736%0.36126%0.261SS..THydrogen-bonded Turntrans64.825.6-177.800000113.3L225 A226 K227 R231 G285L225-G229 PolarHBondContact O-N 3.19Å; A226-G229 PolarHBondContact O-N 3.24Å; A226-G229 VanDerWaalsContact O-N 3.07Å; K227-G229 VanDerWaalsContact C-N 3.31Å; G229-R231 PolarHBondContact O-N 2.98Å; G229-G285 WeakPolarHBondContact O-CA 3.07Å; G229-G285 PolarHBondContact O-N 3.44Å
230I97.9Very high95.2Very high0 Ų049.5 Ų49.50%027%0.27CS..EExtended strand (participates in β ladder)trans-76.2122.7-178-64.8163.1000109.2P204 Y212 L225 L228 Y232 I233 F250 G285 L287P204-I230 HydrophobicContact CG-CD1 4.25Å; Y212-I230 HydrophobicContact CD2-CD1 3.83Å; Y212-I230 HydrophobicContact CD2-CG1 3.8Å; Y212-I230 HydrophobicContact CE2-CD1 4.3Å; Y212-I230 HydrophobicContact CE2-CG1 4.01Å; Y212-I230 HydrophobicContact CG-CD1 4.07Å; L225-I230 HydrophobicContact CB-CB 4.39Å; L225-I230 HydrophobicContact CD2-CB 3.93Å; L225-I230 HydrophobicContact CD2-CD1 3.87Å; L225-I230 HydrophobicContact CD2-CG2 3.7Å; L225-I230 PolarHBondContact O-N 3.49Å; L228-I230 HydrophobicContact CB-CD1 3.73Å; L228-I230 HydrophobicContact CB-CG1 3.9Å; L228-I230 HydrophobicContact CD1-CD1 3.93Å; L228-I230 HydrophobicContact CG-CD1 4.5Å; L228-I230 PolarHBondContact O-N 3.42Å; I230-Y232 WeakPolarHBondContact CG2-O 3.01Å; I230-I233 HydrophobicContact CG2-CG1 4.09Å; I230-F250 WeakPolarHBondContact O-CE1 3.44Å; I230-G285 WeakPolarHBondContact CA-O 3.45Å; I230-L287 HydrophobicContact CD1-CB 4.27Å; I230-L287 HydrophobicContact CG2-CB 3.95Å
231R97.8Very high95.1Very high81 Ų8151.5 Ų51.531%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-123.6-15.3175.9-60.9-86.271.5114.1-1.7112.2G229 D249 F250 H251 C284 G285G229-R231 PolarHBondContact O-N 2.98Å; R231-D249 PolarHBondContact NE-O 2.95Å; R231-F250 VanDerWaalsContact NH2-CE1 3.26Å; R231-F250 CarbonylContact O-C 3.56Å; R231-F250 VanDerWaalsContact O-CA 3.29Å; R231-F250 WeakPolarHBondContact O-CA 3.21Å; R231-H251 PolarHBondContact O-N 3.2Å; R231-C284 HydrophobicContact CB-CB 4.11Å; R231-C284 HydrophobicContact CG-CB 4.41Å; R231-G285 PolarHBondContact N-O 3.19Å
232Y98.7Very high95.1Very high11 Ų1148.8 Ų48.84%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-113.7132.9177.6-76.5-107.8000110.3I230 H251 F275 E278 A279 C284 G285 V286 L287I230-Y232 WeakPolarHBondContact CG2-O 3.01Å; Y232-H251 CarbonylContact C-O 3.58Å; Y232-H251 WeakPolarHBondContact CA-O 3.41Å; Y232-H251 HydrophobicContact CD1-CB 3.64Å; Y232-H251 HydrophobicContact CD2-CB 4.4Å; Y232-H251 HydrophobicContact CE1-CB 3.67Å; Y232-H251 AromaticContact CE1-CG 3.92Å; Y232-H251 HydrophobicContact CE2-CB 4.43Å; Y232-H251 AromaticContact CE2-CD2 3.97Å; Y232-H251 HydrophobicContact CG-CB 4.01Å; Y232-H251 AromaticContact CZ-CD2 3.96Å; Y232-H251 AromaticContact CZ-CG 3.87Å; Y232-F275 HydrophobicContact CD1-CD2 4.29Å; Y232-F275 HydrophobicContact CD1-CE1 4.1Å; Y232-F275 AromaticContact CD1-CE2 3.71Å; Y232-F275 HydrophobicContact CD1-CE2 3.71Å; Y232-F275 AromaticContact CD1-CZ 3.62Å; Y232-F275 HydrophobicContact CD1-CZ 3.62Å; Y232-F275 HydrophobicContact CE1-CE2 4.28Å; Y232-F275 HydrophobicContact CG-CZ 4.33Å; Y232-E278 HydrophobicContact CE1-CB 4.36Å; Y232-E278 HydrophobicContact CE1-CG 4.08Å; Y232-E278 WeakPolarHBondContact CE1-OE1 3Å; Y232-E278 PolarHBondContact OH-OE1 2.83Å; Y232-A279 HydrophobicContact CD1-CB 3.73Å; Y232-A279 HydrophobicContact CD2-CB 3.5Å; Y232-A279 VanDerWaalsContact CD2-CB 3.5Å; Y232-A279 HydrophobicContact CE1-CB 4.29Å; Y232-A279 HydrophobicContact CE2-CB 4.09Å; Y232-A279 HydrophobicContact CG-CB 3.31Å; Y232-C284 HydrophobicContact CD2-CB 3.96Å; Y232-C284 HydrophobicContact CE2-CB 4.13Å; Y232-G285 PolarHBondContact N-O 3.44Å; Y232-G285 VanDerWaalsContact N-O 3.13Å; Y232-V286 CarbonylContact O-C 3.55Å; Y232-V286 VanDerWaalsContact O-CA 3.27Å; Y232-V286 WeakPolarHBondContact O-CA 3.36Å; Y232-L287 PolarHBondContact O-N 3.1Å
233I98.7Very high95Very high0 Ų049.7 Ų49.70%027%0.269CS..EExtended strand (participates in β ladder)trans-132.9115.9-179.2-57.5172.4000109.6L225 I230 F250 H251 Y252 K253 L287L225-I233 HydrophobicContact CD1-CD1 3.92Å; L225-I233 HydrophobicContact CD2-CD1 4.21Å; I230-I233 HydrophobicContact CG2-CG1 4.09Å; I233-F250 HydrophobicContact CD1-CB 4.47Å; I233-F250 HydrophobicContact CD1-CD1 3.68Å; I233-F250 HydrophobicContact CD1-CE1 4.09Å; I233-F250 HydrophobicContact CD1-CG 4.14Å; I233-F250 HydrophobicContact CG1-CD1 4.28Å; I233-H251 PolarHBondContact N-O 3Å; I233-Y252 HydrophobicContact CB-CD1 3.71Å; I233-Y252 HydrophobicContact CB-CE1 3.57Å; I233-Y252 HydrophobicContact CB-CG 4.48Å; I233-Y252 HydrophobicContact CD1-CE1 3.75Å; I233-Y252 HydrophobicContact CD1-CE2 4.31Å; I233-Y252 WeakPolarHBondContact CD1-OH 3.36Å; I233-Y252 HydrophobicContact CG1-CE1 4.22Å; I233-Y252 HydrophobicContact CG2-CD1 3.92Å; I233-Y252 HydrophobicContact CG2-CE1 3.56Å; I233-Y252 WeakPolarHBondContact O-CA 3.14Å; I233-K253 PolarHBondContact O-N 2.94Å; I233-L287 WeakPolarHBondContact CA-O 3.31Å; I233-L287 HydrophobicContact CG1-CB 4.46Å
234L98.8Very high95Very high0 Ų043.6 Ų43.60%024%0.24CC..EExtended strand (participates in β ladder)trans-100106.3175.6-177.559.5000109.9V236 K253 I255 A272 F275 I276 L287 V288 H289 V300L234-V236 HydrophobicContact CG-CG2 4.21Å; L234-K253 WeakPolarHBondContact CA-O 3.37Å; L234-K253 HydrophobicContact CD1-CB 3.87Å; L234-K253 HydrophobicContact CD1-CD 4.08Å; L234-K253 HydrophobicContact CD1-CG 3.81Å; L234-I255 HydrophobicContact CD1-CD1 3.86Å; L234-I255 HydrophobicContact CD1-CG1 4.14Å; L234-I255 HydrophobicContact CD2-CD1 4.48Å; L234-A272 HydrophobicContact CD2-CB 3.88Å; L234-F275 HydrophobicContact CB-CD1 3.94Å; L234-F275 HydrophobicContact CB-CE1 3.85Å; L234-F275 HydrophobicContact CD1-CD1 4.25Å; L234-F275 HydrophobicContact CG-CD1 4.47Å; L234-I276 HydrophobicContact CD2-CD1 4.42Å; L234-I276 HydrophobicContact CD2-CG1 4.47Å; L234-L287 PolarHBondContact N-O 3.34Å; L234-V288 HydrophobicContact CB-CG2 4.38Å; L234-V288 HydrophobicContact CD2-CG1 4.12Å; L234-V288 HydrophobicContact CD2-CG2 4.28Å; L234-V288 HydrophobicContact CG-CG1 4.44Å; L234-H289 PolarHBondContact O-CD2 3.06Å; L234-H289 PolarHBondContact O-N 2.94Å; L234-V300 HydrophobicContact CD2-CG1 3.86Å
235N98.6Very high94.7Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-93.8107.7179.8177.9-2.1000110.7T237 L240 N242 K253 Q254 I255 H289N235-T237 PolarHBondContact O-N 3.18Å; N235-T237 WeakPolarHBondContact OD1-CB 3.46Å; N235-T237 WeakPolarHBondContact OD1-CG2 3.18Å; N235-T237 PolarHBondContact OD1-N 3.39Å; N235-T237 PolarHBondContact OD1-OG1 3.1Å; N235-L240 PolarHBondContact ND2-O 3.06Å; N235-N242 WeakPolarHBondContact CB-OD1 3.44Å; N235-N242 PolarHBondContact ND2-OD1 3.28Å; N235-K253 PolarHBondContact N-O 2.92Å; N235-Q254 HydrophobicContact CB-CB 4.5Å; N235-Q254 HydrophobicContact CB-CG 4.3Å; N235-Q254 CarbonylContact O-C 3.53Å; N235-Q254 WeakPolarHBondContact O-CA 3.13Å; N235-I255 PolarHBondContact O-N 2.98Å; N235-H289 WeakPolarHBondContact CA-NE2 3.32Å; N235-H289 WeakPolarHBondContact CB-NE2 3.23Å
236V98.6Very high94.3Very high0 Ų057.4 Ų57.40%030%0.3CS..  trans-97.359.4-179.8-161.40000110.3L234 I255 L265 V288 H289 C290 R296 V300L234-V236 HydrophobicContact CG-CG2 4.21Å; V236-I255 CarbonylContact C-O 3.54Å; V236-I255 WeakPolarHBondContact CA-O 3.16Å; V236-I255 HydrophobicContact CG1-CB 4.29Å; V236-I255 HydrophobicContact CG1-CG2 4.26Å; V236-L265 HydrophobicContact CG1-CD1 3.92Å; V236-V288 HydrophobicContact CG2-CG1 4.23Å; V236-H289 PolarHBondContact N-O 3.21Å; V236-C290 HydrophobicContact CB-CB 4.46Å; V236-R296 HydrophobicContact CB-CB 4.16Å; V236-R296 HydrophobicContact CG1-CB 3.81Å; V236-R296 HydrophobicContact CG1-CG 4.5Å; V236-R296 VanDerWaalsContact O-CD 3.32Å; V236-R296 WeakPolarHBondContact O-CD 3.48Å; V236-R296 PolarHBondContact O-NH1 3.22Å; V236-V300 HydrophobicContact CG1-CG2 4.29Å; V236-V300 HydrophobicContact CG2-CG2 4.07Å
237T95.3Very high93.8Very high5 Ų558.9 Ų58.93%0.03130%0.299CS..  trans-145.6151.7177.176.40000111.8N235 L240 Q254 I255 C290N235-T237 PolarHBondContact O-N 3.18Å; N235-T237 WeakPolarHBondContact OD1-CB 3.46Å; N235-T237 WeakPolarHBondContact OD1-CG2 3.18Å; N235-T237 PolarHBondContact OD1-N 3.39Å; N235-T237 PolarHBondContact OD1-OG1 3.1Å; T237-L240 HydrophobicContact CG2-CB 4.32Å; T237-L240 HydrophobicContact CG2-CD2 4.49Å; T237-L240 WeakPolarHBondContact OG1-CB 3.45Å; T237-L240 PolarHBondContact OG1-N 3.02Å; T237-Q254 PolarHBondContact O-NE2 2.84Å; T237-I255 PolarHBondContact N-O 2.91Å; T237-C290 HydrophobicContact CG2-CB 4.06Å
238P89.2Confident93.2Very high46 Ų4653.2 Ų53.230%0.29929%0.293SS..SBendtrans-80.5-34.4-179.431.7-32.7000113P256 I257P238-P256 HydrophobicContact CB-CB 4.31Å; P238-I257 WeakPolarHBondContact CD-O 3.46Å
239N86.8Confident92.8Very high149 Ų14955.5 Ų55.580%0.79731%0.306SS*.SBendtrans-122.50.9-163.8-57.2-23.3000113.8
240L89.3Confident92.8Very high46 Ų4654.5 Ų54.524%0.24129%0.291CS..  trans-89125.1176.7-16671.9000109A216 N235 T237 Q254A216-L240 HydrophobicContact CB-CD1 4.28Å; A216-L240 HydrophobicContact CB-CD2 3.42Å; A216-L240 VanDerWaalsContact CB-CD2 3.42Å; N235-L240 PolarHBondContact ND2-O 3.06Å; T237-L240 HydrophobicContact CG2-CB 4.32Å; T237-L240 HydrophobicContact CG2-CD2 4.49Å; T237-L240 WeakPolarHBondContact OG1-CB 3.45Å; T237-L240 PolarHBondContact OG1-N 3.02Å; L240-Q254 PolarHBondContact O-NE2 3.38Å
241P91.4Very high92.7Very high87 Ų8759.2 Ų59.257%0.56531%0.313SS*.  trans-74.1152.1179.730.1-34.8000112.4L243P241-L243 PolarHBondContact O-N 2.97Å
242N95Very high92.7Very high18 Ų1857 Ų5710%0.09631%0.305CS..  trans-81.3104.5170.7-65.1-23000109.5N235 F244 E245 Y252N235-N242 WeakPolarHBondContact CB-OD1 3.44Å; N235-N242 PolarHBondContact ND2-OD1 3.28Å; N242-F244 PolarHBondContact O-N 3.42Å; N242-E245 HydrophobicContact CB-CB 3.82Å; N242-E245 HydrophobicContact CB-CG 4.41Å; N242-E245 PolarHBondContact ND2-OE1 2.93Å; N242-Y252 HydrophobicContact CB-CD1 3.5Å; N242-Y252 VanDerWaalsContact CB-CD1 3.5Å; N242-Y252 HydrophobicContact CB-CD2 4.33Å; N242-Y252 HydrophobicContact CB-CE1 3.6Å; N242-Y252 HydrophobicContact CB-CE2 4.4Å; N242-Y252 HydrophobicContact CB-CG 3.87Å; N242-Y252 WeakPolarHBondContact OD1-CD1 3.28Å
243L92.3Very high92.7Very high98 Ų9859.2 Ų59.251%0.51332%0.315SS..THydrogen-bonded Turntrans-65.2-34.9-167.8-69173.3000114.8A220 P241A220-L243 HydrophobicContact CB-CD1 3.32Å; P241-L243 PolarHBondContact O-N 2.97Å
244F92.9Very high92.7Very high30 Ų3062.7 Ų62.713%0.13233%0.331CS..THydrogen-bonded Turntrans-110.115.1-173.9-49.7-61.2000113.4S219 A220 L222 L225 N242 K246 N247 F250 Y252S219-F244 WeakPolarHBondContact O-CE2 3.42Å; A220-F244 WeakPolarHBondContact O-CZ 3.03Å; L222-F244 HydrophobicContact CB-CE1 4.28Å; L222-F244 HydrophobicContact CB-CE2 4.27Å; L222-F244 HydrophobicContact CB-CZ 3.83Å; L222-F244 HydrophobicContact CD1-CD1 4.3Å; L222-F244 HydrophobicContact CD1-CD2 4.22Å; L222-F244 HydrophobicContact CD1-CE1 4.26Å; L222-F244 HydrophobicContact CD1-CE2 4.19Å; L222-F244 HydrophobicContact CD1-CG 4.29Å; L222-F244 HydrophobicContact CD1-CZ 4.21Å; L225-F244 HydrophobicContact CD1-CD2 3.99Å; L225-F244 HydrophobicContact CD1-CE2 3.83Å; N242-F244 PolarHBondContact O-N 3.42Å; F244-K246 PolarHBondContact O-N 3.47Å; F244-N247 WeakPolarHBondContact O-CB 3.44Å; F244-N247 PolarHBondContact O-N 3.1Å; F244-N247 VanDerWaalsContact O-N 3.08Å; F244-F250 HydrophobicContact CB-CD2 3.51Å; F244-F250 HydrophobicContact CB-CE2 3.73Å; F244-F250 HydrophobicContact CB-CG 4.49Å; F244-F250 HydrophobicContact CD2-CD2 4.5Å; F244-F250 HydrophobicContact CD2-CE2 4.11Å; F244-F250 HydrophobicContact CG-CD2 4.32Å; F244-F250 HydrophobicContact CG-CE2 4.06Å; F244-Y252 HydrophobicContact CB-CE2 4.22Å; F244-Y252 WeakPolarHBondContact CB-OH 2.97Å; F244-Y252 WeakPolarHBondContact CD2-OH 3.22Å; F244-Y252 PolarHBondContact N-OH 3.29Å
245E89.4Confident92.7Very high105 Ų10562.7 Ų62.749%0.49133%0.331SS..G310 helixtrans-60.9-31.9-174.2-171.5166.5-124.300112.9N242 N247 Y252N242-E245 HydrophobicContact CB-CB 3.82Å; N242-E245 HydrophobicContact CB-CG 4.41Å; N242-E245 PolarHBondContact ND2-OE1 2.93Å; E245-N247 VanDerWaalsContact C-N 3.33Å; E245-Y252 HydrophobicContact CB-CD2 3.85Å; E245-Y252 HydrophobicContact CB-CE2 4.1Å; E245-Y252 HydrophobicContact CB-CG 4.44Å; E245-Y252 HydrophobicContact CG-CD2 4.14Å; E245-Y252 HydrophobicContact CG-CG 4.5Å
246K86.4Confident92.5Very high208 Ų20866.3 Ų66.390%0.90436%0.355SS*.G310 helixtrans-80.7-11.1179.8-63.2-176.7-178.7177.90114F244 G248F244-K246 PolarHBondContact O-N 3.47Å; K246-G248 VanDerWaalsContact C-N 3.31Å; K246-G248 PolarHBondContact O-N 3.19Å
247N84.1Confident92.3Very high87 Ų8766.6 Ų66.647%0.46536%0.356SS..G310 helixtrans-79.1-17.9-173.5-6319.1000112.1F244 E245 D249F244-N247 WeakPolarHBondContact O-CB 3.44Å; F244-N247 PolarHBondContact O-N 3.1Å; F244-N247 VanDerWaalsContact O-N 3.08Å; E245-N247 VanDerWaalsContact C-N 3.33Å; N247-D249 PolarHBondContact O-N 3.11Å
248G82.4Confident91.9Very high64 Ų6468.3 Ų68.366%0.6637%0.368SS*.SBendtrans79.9-12.4-178.900000115K246 F250K246-G248 VanDerWaalsContact C-N 3.31Å; K246-G248 PolarHBondContact O-N 3.19Å; G248-F250 VanDerWaalsContact C-N 3.34Å; G248-F250 PolarHBondContact O-N 3.42Å
249D88.5Confident91.9Very high96 Ų9669.5 Ų69.551%0.51337%0.372SS..SBendtrans-82.8-6.6-178.4-63.3-38.7000114.4R231 N247R231-D249 PolarHBondContact NE-O 2.95Å; N247-D249 PolarHBondContact O-N 3.11Å
250F96.3Very high91.8Very high13 Ų1366.2 Ų66.26%0.05735%0.352CS..  trans-133.2133.6-174.6-63.6-80.8000111.8L222 L225 I230 R231 I233 F244 G248 Y252L222-F250 HydrophobicContact CD1-CE2 3.63Å; L222-F250 HydrophobicContact CD1-CZ 3.67Å; L225-F250 HydrophobicContact CB-CE1 4.06Å; L225-F250 HydrophobicContact CB-CZ 4.14Å; L225-F250 HydrophobicContact CD1-CE1 4.06Å; L225-F250 HydrophobicContact CD1-CZ 4.02Å; I230-F250 WeakPolarHBondContact O-CE1 3.44Å; R231-F250 VanDerWaalsContact NH2-CE1 3.26Å; R231-F250 CarbonylContact O-C 3.56Å; R231-F250 VanDerWaalsContact O-CA 3.29Å; R231-F250 WeakPolarHBondContact O-CA 3.21Å; I233-F250 HydrophobicContact CD1-CB 4.47Å; I233-F250 HydrophobicContact CD1-CD1 3.68Å; I233-F250 HydrophobicContact CD1-CE1 4.09Å; I233-F250 HydrophobicContact CD1-CG 4.14Å; I233-F250 HydrophobicContact CG1-CD1 4.28Å; F244-F250 HydrophobicContact CB-CD2 3.51Å; F244-F250 HydrophobicContact CB-CE2 3.73Å; F244-F250 HydrophobicContact CB-CG 4.49Å; F244-F250 HydrophobicContact CD2-CD2 4.5Å; F244-F250 HydrophobicContact CD2-CE2 4.11Å; F244-F250 HydrophobicContact CG-CD2 4.32Å; F244-F250 HydrophobicContact CG-CE2 4.06Å; G248-F250 VanDerWaalsContact C-N 3.34Å; G248-F250 PolarHBondContact O-N 3.42Å; F250-Y252 HydrophobicContact CB-CD2 3.83Å; F250-Y252 HydrophobicContact CB-CE2 3.46Å; F250-Y252 VanDerWaalsContact CB-CE2 3.46Å; F250-Y252 HydrophobicContact CG-CE2 4.19Å
251H97.1Very high90.9Very high100 Ų10072.8 Ų72.846%0.46337%0.373SS..EExtended strand (participates in β ladder)trans-86.1115.4166.7-65-96.9000108.2R231 Y232 I233 F275R231-H251 PolarHBondContact O-N 3.2Å; Y232-H251 CarbonylContact C-O 3.58Å; Y232-H251 WeakPolarHBondContact CA-O 3.41Å; Y232-H251 HydrophobicContact CD1-CB 3.64Å; Y232-H251 HydrophobicContact CD2-CB 4.4Å; Y232-H251 HydrophobicContact CE1-CB 3.67Å; Y232-H251 AromaticContact CE1-CG 3.92Å; Y232-H251 HydrophobicContact CE2-CB 4.43Å; Y232-H251 AromaticContact CE2-CD2 3.97Å; Y232-H251 HydrophobicContact CG-CB 4.01Å; Y232-H251 AromaticContact CZ-CD2 3.96Å; Y232-H251 AromaticContact CZ-CG 3.87Å; I233-H251 PolarHBondContact N-O 3Å; H251-F275 WeakPolarHBondContact O-CZ 3.39Å
252Y97.8Very high90.2Very high34 Ų3471.8 Ų71.813%0.13337%0.368CS..EExtended strand (participates in β ladder)trans-103.5145.2177-81.3-87.4000111.4I233 N242 F244 E245 F250I233-Y252 HydrophobicContact CB-CD1 3.71Å; I233-Y252 HydrophobicContact CB-CE1 3.57Å; I233-Y252 HydrophobicContact CB-CG 4.48Å; I233-Y252 HydrophobicContact CD1-CE1 3.75Å; I233-Y252 HydrophobicContact CD1-CE2 4.31Å; I233-Y252 WeakPolarHBondContact CD1-OH 3.36Å; I233-Y252 HydrophobicContact CG1-CE1 4.22Å; I233-Y252 HydrophobicContact CG2-CD1 3.92Å; I233-Y252 HydrophobicContact CG2-CE1 3.56Å; I233-Y252 WeakPolarHBondContact O-CA 3.14Å; N242-Y252 HydrophobicContact CB-CD1 3.5Å; N242-Y252 VanDerWaalsContact CB-CD1 3.5Å; N242-Y252 HydrophobicContact CB-CD2 4.33Å; N242-Y252 HydrophobicContact CB-CE1 3.6Å; N242-Y252 HydrophobicContact CB-CE2 4.4Å; N242-Y252 HydrophobicContact CB-CG 3.87Å; N242-Y252 WeakPolarHBondContact OD1-CD1 3.28Å; F244-Y252 HydrophobicContact CB-CE2 4.22Å; F244-Y252 WeakPolarHBondContact CB-OH 2.97Å; F244-Y252 WeakPolarHBondContact CD2-OH 3.22Å; F244-Y252 PolarHBondContact N-OH 3.29Å; E245-Y252 HydrophobicContact CB-CD2 3.85Å; E245-Y252 HydrophobicContact CB-CE2 4.1Å; E245-Y252 HydrophobicContact CB-CG 4.44Å; E245-Y252 HydrophobicContact CG-CD2 4.14Å; E245-Y252 HydrophobicContact CG-CG 4.5Å; F250-Y252 HydrophobicContact CB-CD2 3.83Å; F250-Y252 HydrophobicContact CB-CE2 3.46Å; F250-Y252 VanDerWaalsContact CB-CE2 3.46Å; F250-Y252 HydrophobicContact CG-CE2 4.19Å
253K98.1Very high89.8Confident57 Ų5773.7 Ų73.725%0.24838%0.377CS..EExtended strand (participates in β ladder)trans-136.2133.3161.7178.6172.3-76.2-95.40108.7I233 L234 N235 E271 F275I233-K253 PolarHBondContact O-N 2.94Å; L234-K253 WeakPolarHBondContact CA-O 3.37Å; L234-K253 HydrophobicContact CD1-CB 3.87Å; L234-K253 HydrophobicContact CD1-CD 4.08Å; L234-K253 HydrophobicContact CD1-CG 3.81Å; N235-K253 PolarHBondContact N-O 2.92Å; K253-E271 HydrophobicContact CD-CG 4.04Å; K253-E271 VanDerWaalsContact NZ-CG 3.31Å; K253-E271 IonicContact NZ-OE1 2.57Å; K253-E271 PolarHBondContact NZ-OE1 3.21Å; K253-F275 HydrophobicContact CB-CD1 4.28Å; K253-F275 HydrophobicContact CB-CD2 3.7Å; K253-F275 HydrophobicContact CB-CE1 4.17Å; K253-F275 HydrophobicContact CB-CE2 3.55Å; K253-F275 HydrophobicContact CB-CG 4.04Å; K253-F275 HydrophobicContact CB-CZ 3.78Å; K253-F275 HydrophobicContact CD-CB 3.84Å; K253-F275 HydrophobicContact CD-CD2 3.87Å; K253-F275 HydrophobicContact CD-CG 3.87Å; K253-F275 HydrophobicContact CG-CD2 4.43Å
254Q98.1Very high89.8Confident73 Ų7372.3 Ų72.334%0.34137%0.37SS..EExtended strand (participates in β ladder)trans-113126.5177.1-171174.916.100110.3N235 T237 L240 P256N235-Q254 HydrophobicContact CB-CB 4.5Å; N235-Q254 HydrophobicContact CB-CG 4.3Å; N235-Q254 CarbonylContact O-C 3.53Å; N235-Q254 WeakPolarHBondContact O-CA 3.13Å; T237-Q254 PolarHBondContact O-NE2 2.84Å; L240-Q254 PolarHBondContact O-NE2 3.38Å; Q254-P256 WeakPolarHBondContact O-CD 3.42Å
255I98.2Very high90Very high1 Ų170.9 Ų70.91%0.00536%0.364CS..  trans-106.6102.7170-65.9170.4000106.9L234 N235 V236 T237 I257 L265 F268 A272L234-I255 HydrophobicContact CD1-CD1 3.86Å; L234-I255 HydrophobicContact CD1-CG1 4.14Å; L234-I255 HydrophobicContact CD2-CD1 4.48Å; N235-I255 PolarHBondContact O-N 2.98Å; V236-I255 CarbonylContact C-O 3.54Å; V236-I255 WeakPolarHBondContact CA-O 3.16Å; V236-I255 HydrophobicContact CG1-CB 4.29Å; V236-I255 HydrophobicContact CG1-CG2 4.26Å; T237-I255 PolarHBondContact N-O 2.91Å; I255-I257 VanDerWaalsContact C-N 3.26Å; I255-I257 HydrophobicContact CG2-CB 4.37Å; I255-I257 HydrophobicContact CG2-CG1 3.87Å; I255-I257 PolarHBondContact O-N 3.34Å; I255-L265 HydrophobicContact CG2-CD1 4Å; I255-F268 HydrophobicContact CD1-CB 3.96Å; I255-F268 HydrophobicContact CG1-CB 4.38Å; I255-F268 HydrophobicContact CG2-CB 3.89Å; I255-F268 HydrophobicContact CG2-CD1 4.06Å; I255-F268 HydrophobicContact CG2-CD2 3.79Å; I255-F268 HydrophobicContact CG2-CE2 4.34Å; I255-F268 HydrophobicContact CG2-CG 3.64Å; I255-A272 HydrophobicContact CD1-CB 3.74Å
256P96Very high90.3Very high76 Ų7667.6 Ų67.649%0.49435%0.352SS..  trans-80.466.7-167.932.8-36.6000112.7P238 Q254P238-P256 HydrophobicContact CB-CB 4.31Å; Q254-P256 WeakPolarHBondContact O-CD 3.42Å
257I92.6Very high90.9Very high6 Ų663.2 Ų63.23%0.03134%0.335CS..  trans-113127.8-177-72-72.5000112.2P238 I255 Q263 L265 F268 R296 F333P238-I257 WeakPolarHBondContact CD-O 3.46Å; I255-I257 VanDerWaalsContact C-N 3.26Å; I255-I257 HydrophobicContact CG2-CB 4.37Å; I255-I257 HydrophobicContact CG2-CG1 3.87Å; I255-I257 PolarHBondContact O-N 3.34Å; I257-Q263 HydrophobicContact CD1-CB 4.38Å; I257-Q263 HydrophobicContact CG2-CB 3.98Å; I257-Q263 HydrophobicContact CG2-CG 4.43Å; I257-L265 HydrophobicContact CB-CD1 4.18Å; I257-L265 HydrophobicContact CG1-CD1 4.14Å; I257-L265 HydrophobicContact CG2-CB 4.34Å; I257-L265 HydrophobicContact CG2-CD1 4.14Å; I257-F268 HydrophobicContact CD1-CD2 4.33Å; I257-F268 HydrophobicContact CD1-CE2 3.64Å; I257-F268 HydrophobicContact CD1-CZ 4.48Å; I257-F268 HydrophobicContact CG1-CD2 3.97Å; I257-F268 HydrophobicContact CG1-CE2 3.65Å; I257-F268 HydrophobicContact CG1-CZ 4.49Å; I257-R296 WeakPolarHBondContact O-CD 3.25Å; I257-R296 PolarHBondContact O-NH1 3Å; I257-R296 VanDerWaalsContact O-NH1 3.09Å; I257-F333 HydrophobicContact CG2-CE1 4.42Å; I257-F333 HydrophobicContact CG2-CZ 3.84Å
258S88.2Confident91.5Very high41 Ų4161.2 Ų61.229%0.28732%0.322SS..  trans-76.1154.8171.964.80000111.4H260 Q263S258-H260 PolarHBondContact O-N 3.26Å; S258-Q263 WeakPolarHBondContact O-CG 3.4Å; S258-Q263 WeakPolarHBondContact OG-CG 3.39Å; S258-Q263 PolarHBondContact OG-NE2 3.26Å
259D89.9Confident92.3Very high71 Ų7158.2 Ų58.238%0.3829%0.291SS..SBendtrans-85.967.8179.9-158.2-1.6000110.4S295 R296 N330D259-S295 WeakPolarHBondContact OD1-CB 3.17Å; D259-S295 PolarHBondContact OD1-OG 2.71Å; D259-S295 WeakPolarHBondContact OD2-CB 3.36Å; D259-S295 PolarHBondContact OD2-OG 3.1Å; D259-R296 HydrophobicContact CB-CG 4.17Å; D259-N330 PolarHBondContact OD1-ND2 3.31Å
260H84.1Confident92.8Very high79 Ų7957.7 Ų57.737%0.36629%0.293SS..SBendtrans-136.5152.2-168-169-102.1000112.1S258 S262 Q263S258-H260 PolarHBondContact O-N 3.26Å; H260-S262 PolarHBondContact ND1-N 3Å; H260-S262 PolarHBondContact ND1-OG 3.33Å; H260-S262 PolarHBondContact O-N 3.05Å; H260-S262 VanDerWaalsContact O-N 3.12Å; H260-Q263 HydrophobicContact CB-CG 4.06Å; H260-Q263 PolarHBondContact O-N 3.14Å
261W70.1Confident92.9Very high184 Ų18460.8 Ų60.870%0.69731%0.308SS*.THydrogen-bonded Turntrans-63.6-19.5-174.661.4-99.3000114.1N332W261-N332 HydrophobicContact CB-CB 4.45Å; W261-N332 WeakPolarHBondContact O-CB 3.2Å; W261-N332 PolarHBondContact O-ND2 2.91Å; W261-N332 VanDerWaalsContact O-ND2 3.16Å; W261-N332 PolarHBondContact O-OD1 3.36Å
262S75.7Confident92.9Very high66 Ų6656 Ų5646%0.46229%0.286SS..THydrogen-bonded Turntrans-93.6-4.1-177.468.40000114H260H260-S262 PolarHBondContact ND1-N 3Å; H260-S262 PolarHBondContact ND1-OG 3.33Å; H260-S262 PolarHBondContact O-N 3.05Å; H260-S262 VanDerWaalsContact O-N 3.12Å
263Q88Confident93Very high58 Ų5854.6 Ų54.627%0.27128%0.28SS..  trans-88.8140.6-172.1-63.9-63.2-45.300111.6I257 S258 H260 N332 F333 Q336I257-Q263 HydrophobicContact CD1-CB 4.38Å; I257-Q263 HydrophobicContact CG2-CB 3.98Å; I257-Q263 HydrophobicContact CG2-CG 4.43Å; S258-Q263 WeakPolarHBondContact O-CG 3.4Å; S258-Q263 WeakPolarHBondContact OG-CG 3.39Å; S258-Q263 PolarHBondContact OG-NE2 3.26Å; H260-Q263 HydrophobicContact CB-CG 4.06Å; H260-Q263 PolarHBondContact O-N 3.14Å; Q263-N332 PolarHBondContact O-ND2 3.15Å; Q263-F333 HydrophobicContact CB-CE1 4.13Å; Q263-F333 HydrophobicContact CB-CZ 4.29Å; Q263-Q336 PolarHBondContact O-NE2 3.47Å
264N90.9Very high93Very high69 Ų6954.6 Ų54.637%0.36929%0.291SS..  trans-100.8101.4172.9-175.3-3.7000109.5S266 Q267N264-S266 PolarHBondContact OD1-N 2.9Å; N264-S266 PolarHBondContact OD1-OG 2.87Å; N264-Q267 WeakPolarHBondContact O-CG 3.31Å; N264-Q267 PolarHBondContact O-NE2 3.18Å; N264-Q267 PolarHBondContact OD1-N 3.03Å
265L97.2Very high93Very high0 Ų051.6 Ų51.60%028%0.276CS..  trans-89.6-28.2176.7-176.255.1000111.7V236 I255 I257 Q267 F268 F269 T299 V300 F333V236-L265 HydrophobicContact CG1-CD1 3.92Å; I255-L265 HydrophobicContact CG2-CD1 4Å; I257-L265 HydrophobicContact CB-CD1 4.18Å; I257-L265 HydrophobicContact CG1-CD1 4.14Å; I257-L265 HydrophobicContact CG2-CB 4.34Å; I257-L265 HydrophobicContact CG2-CD1 4.14Å; L265-Q267 VanDerWaalsContact C-N 3.26Å; L265-Q267 PolarHBondContact O-N 3.27Å; L265-F268 HydrophobicContact CD1-CD2 4.44Å; L265-F268 PolarHBondContact O-N 2.78Å; L265-F269 HydrophobicContact CG-CE1 4.04Å; L265-T299 HydrophobicContact CD2-CG2 3.87Å; L265-V300 HydrophobicContact CD1-CG2 4.24Å; L265-V300 HydrophobicContact CD2-CG2 4.26Å; L265-V300 HydrophobicContact CG-CG2 4.42Å; L265-F333 HydrophobicContact CB-CD1 3.85Å; L265-F333 HydrophobicContact CB-CE1 3.57Å; L265-F333 HydrophobicContact CB-CZ 4.11Å; L265-F333 HydrophobicContact CD2-CD1 4.33Å; L265-F333 HydrophobicContact CD2-CD2 4.11Å; L265-F333 HydrophobicContact CD2-CE1 4.23Å; L265-F333 HydrophobicContact CD2-CE2 4.03Å; L265-F333 HydrophobicContact CD2-CG 4.3Å; L265-F333 HydrophobicContact CD2-CZ 4.09Å
266S97.3Very high93.1Very high36 Ų3651.5 Ų51.525%0.25228%0.276SS..G310 helixtrans-63.5-28.7-177.457.80000114.1N264 F268 F269N264-S266 PolarHBondContact OD1-N 2.9Å; N264-S266 PolarHBondContact OD1-OG 2.87Å; S266-F268 PolarHBondContact O-N 2.66Å; S266-F268 VanDerWaalsContact O-N 3.1Å; S266-F269 WeakPolarHBondContact O-CB 3.44Å; S266-F269 WeakPolarHBondContact O-CG 3.38Å; S266-F269 PolarHBondContact O-N 3.01Å
267Q97.4Very high93.2Very high117 Ų11750 Ų5055%0.54726%0.264SS..G310 helixtrans-58.5-22.8173.270.8-175.1-29.500113.3N264 L265N264-Q267 WeakPolarHBondContact O-CG 3.31Å; N264-Q267 PolarHBondContact O-NE2 3.18Å; N264-Q267 PolarHBondContact OD1-N 3.03Å; L265-Q267 VanDerWaalsContact C-N 3.26Å; L265-Q267 PolarHBondContact O-N 3.27Å
268F98.6Very high93.4Very high44 Ų4453.9 Ų53.919%0.19328%0.282CS..G310 helixtrans-96.7-2.4178.7-57.8-80.2000113.5I255 I257 L265 S266 E271 A272I255-F268 HydrophobicContact CD1-CB 3.96Å; I255-F268 HydrophobicContact CG1-CB 4.38Å; I255-F268 HydrophobicContact CG2-CB 3.89Å; I255-F268 HydrophobicContact CG2-CD1 4.06Å; I255-F268 HydrophobicContact CG2-CD2 3.79Å; I255-F268 HydrophobicContact CG2-CE2 4.34Å; I255-F268 HydrophobicContact CG2-CG 3.64Å; I257-F268 HydrophobicContact CD1-CD2 4.33Å; I257-F268 HydrophobicContact CD1-CE2 3.64Å; I257-F268 HydrophobicContact CD1-CZ 4.48Å; I257-F268 HydrophobicContact CG1-CD2 3.97Å; I257-F268 HydrophobicContact CG1-CE2 3.65Å; I257-F268 HydrophobicContact CG1-CZ 4.49Å; L265-F268 HydrophobicContact CD1-CD2 4.44Å; L265-F268 PolarHBondContact O-N 2.78Å; S266-F268 PolarHBondContact O-N 2.66Å; S266-F268 VanDerWaalsContact O-N 3.1Å; F268-E271 PolarHBondContact O-N 3.39Å; F268-A272 WeakPolarHBondContact O-CB 3.5Å; F268-A272 PolarHBondContact O-N 3.29Å
269F98.6Very high93.9Very high1 Ų152 Ų520%0.00427%0.268CS..Hα-helixtrans-57.2-46.6-180-67.1-15.7000112.9L265 S266 E271 A272 I273 T299 A303 L337 F340L265-F269 HydrophobicContact CG-CE1 4.04Å; S266-F269 WeakPolarHBondContact O-CB 3.44Å; S266-F269 WeakPolarHBondContact O-CG 3.38Å; S266-F269 PolarHBondContact O-N 3.01Å; F269-E271 VanDerWaalsContact C-N 3.3Å; F269-E271 PolarHBondContact O-N 3.31Å; F269-A272 PolarHBondContact O-N 3.2Å; F269-I273 HydrophobicContact CB-CD1 4.2Å; F269-I273 VanDerWaalsContact O-CB 3.28Å; F269-I273 WeakPolarHBondContact O-CB 3.45Å; F269-I273 WeakPolarHBondContact O-CD1 3.45Å; F269-I273 WeakPolarHBondContact O-CG1 3.48Å; F269-I273 PolarHBondContact O-N 3.03Å; F269-T299 HydrophobicContact CE1-CG2 4.03Å; F269-T299 HydrophobicContact CZ-CG2 3.86Å; F269-A303 HydrophobicContact CB-CB 4.48Å; F269-A303 HydrophobicContact CD1-CB 3.84Å; F269-A303 HydrophobicContact CD2-CB 3.76Å; F269-A303 HydrophobicContact CE1-CB 3.89Å; F269-A303 HydrophobicContact CE2-CB 3.81Å; F269-A303 HydrophobicContact CG-CB 3.78Å; F269-A303 HydrophobicContact CZ-CB 3.88Å; F269-L337 HydrophobicContact CE2-CD2 4.02Å; F269-L337 HydrophobicContact CZ-CD2 3.84Å; F269-L337 HydrophobicContact CZ-CG 4.44Å; F269-F340 HydrophobicContact CB-CE2 4.38Å; F269-F340 HydrophobicContact CB-CZ 4.38Å; F269-F340 HydrophobicContact CD2-CB 4.1Å; F269-F340 AromaticContact CD2-CD1 3.82Å; F269-F340 HydrophobicContact CD2-CD1 3.82Å; F269-F340 AromaticContact CD2-CD2 3.8Å; F269-F340 HydrophobicContact CD2-CD2 3.8Å; F269-F340 HydrophobicContact CD2-CE1 4.14Å; F269-F340 HydrophobicContact CD2-CE2 4.12Å; F269-F340 AromaticContact CD2-CG 3.63Å; F269-F340 HydrophobicContact CD2-CG 3.63Å; F269-F340 HydrophobicContact CD2-CZ 4.27Å; F269-F340 HydrophobicContact CE2-CB 3.92Å; F269-F340 HydrophobicContact CE2-CD1 4.09Å; F269-F340 HydrophobicContact CE2-CD2 4.47Å; F269-F340 AromaticContact CE2-CG 3.92Å; F269-F340 HydrophobicContact CE2-CG 3.92Å
270P97.9Very high94.3Very high86 Ų8650.6 Ų50.656%0.55826%0.261SS*.Hα-helixtrans-58.6-42.3178.8-24.735.5000112.7A274P270-A274 WeakPolarHBondContact O-CB 3.46Å; P270-A274 PolarHBondContact O-N 2.93Å
271E98.3Very high94.9Very high78 Ų7851 Ų5136%0.36427%0.273SS..Hα-helixtrans-67.3-44.6179.3-172.6-169.9166.100112.1K253 F268 F269 F275K253-E271 HydrophobicContact CD-CG 4.04Å; K253-E271 VanDerWaalsContact NZ-CG 3.31Å; K253-E271 IonicContact NZ-OE1 2.57Å; K253-E271 PolarHBondContact NZ-OE1 3.21Å; F268-E271 PolarHBondContact O-N 3.39Å; F269-E271 VanDerWaalsContact C-N 3.3Å; F269-E271 PolarHBondContact O-N 3.31Å; E271-F275 PolarHBondContact O-N 3.08Å; E271-F275 VanDerWaalsContact O-N 3.13Å
272A98.7Very high96.2Very high0 Ų048 Ų480%027%0.267CS..Hα-helixtrans-63.6-42.9178.100000111.8L234 I255 F268 F269 F275 I276 V300L234-A272 HydrophobicContact CD2-CB 3.88Å; I255-A272 HydrophobicContact CD1-CB 3.74Å; F268-A272 WeakPolarHBondContact O-CB 3.5Å; F268-A272 PolarHBondContact O-N 3.29Å; F269-A272 PolarHBondContact O-N 3.2Å; A272-F275 PolarHBondContact O-N 3.48Å; A272-I276 WeakPolarHBondContact O-CD1 3.19Å; A272-I276 VanDerWaalsContact O-CG1 3.31Å; A272-I276 WeakPolarHBondContact O-CG1 3.42Å; A272-I276 PolarHBondContact O-N 3.46Å; A272-V300 HydrophobicContact CB-CG1 3.62Å
273I98.6Very high97.2Very high4 Ų451.1 Ų51.12%0.02128%0.278CS..Hα-helixtrans-67.8-43.3-177.9-68.8169.5000110.3F269 F275 I276 D277 Y304 Q307 K308 F340F269-I273 HydrophobicContact CB-CD1 4.2Å; F269-I273 VanDerWaalsContact O-CB 3.28Å; F269-I273 WeakPolarHBondContact O-CB 3.45Å; F269-I273 WeakPolarHBondContact O-CD1 3.45Å; F269-I273 WeakPolarHBondContact O-CG1 3.48Å; F269-I273 PolarHBondContact O-N 3.03Å; I273-F275 VanDerWaalsContact C-N 3.31Å; I273-F275 PolarHBondContact O-N 2.93Å; I273-I276 PolarHBondContact O-N 3.45Å; I273-D277 PolarHBondContact O-N 2.7Å; I273-Y304 HydrophobicContact CB-CD2 4.16Å; I273-Y304 HydrophobicContact CG1-CD2 4.02Å; I273-Y304 HydrophobicContact CG2-CD2 3.85Å; I273-Y304 HydrophobicContact CG2-CE2 4.13Å; I273-Q307 HydrophobicContact CD1-CB 4.1Å; I273-K308 VanDerWaalsContact CG2-CE 3.46Å; I273-K308 HydrophobicContact CG2-CG 4.35Å; I273-F340 HydrophobicContact CD1-CE1 4.42Å; I273-F340 HydrophobicContact CD1-CZ 4.1Å
274A98.6Very high97.6Very high56 Ų5649.9 Ų49.946%0.46328%0.275SS..Hα-helixtrans-59.7-41174.400000112.3P270 D277 E278P270-A274 WeakPolarHBondContact O-CB 3.46Å; P270-A274 PolarHBondContact O-N 2.93Å; A274-D277 PolarHBondContact O-N 3.17Å; A274-E278 WeakPolarHBondContact O-CB 3.18Å; A274-E278 PolarHBondContact O-N 3.16Å
275F98.8Very high97.9Very high10 Ų1046.6 Ų46.64%0.04426%0.258CS..Hα-helixtrans-65.8-39.8177.1-177.5-97.4000112.8Y232 L234 H251 K253 E271 A272 I273 A279 V286Y232-F275 HydrophobicContact CD1-CD2 4.29Å; Y232-F275 HydrophobicContact CD1-CE1 4.1Å; Y232-F275 AromaticContact CD1-CE2 3.71Å; Y232-F275 HydrophobicContact CD1-CE2 3.71Å; Y232-F275 AromaticContact CD1-CZ 3.62Å; Y232-F275 HydrophobicContact CD1-CZ 3.62Å; Y232-F275 HydrophobicContact CE1-CE2 4.28Å; Y232-F275 HydrophobicContact CG-CZ 4.33Å; L234-F275 HydrophobicContact CB-CD1 3.94Å; L234-F275 HydrophobicContact CB-CE1 3.85Å; L234-F275 HydrophobicContact CD1-CD1 4.25Å; L234-F275 HydrophobicContact CG-CD1 4.47Å; H251-F275 WeakPolarHBondContact O-CZ 3.39Å; K253-F275 HydrophobicContact CB-CD1 4.28Å; K253-F275 HydrophobicContact CB-CD2 3.7Å; K253-F275 HydrophobicContact CB-CE1 4.17Å; K253-F275 HydrophobicContact CB-CE2 3.55Å; K253-F275 HydrophobicContact CB-CG 4.04Å; K253-F275 HydrophobicContact CB-CZ 3.78Å; K253-F275 HydrophobicContact CD-CB 3.84Å; K253-F275 HydrophobicContact CD-CD2 3.87Å; K253-F275 HydrophobicContact CD-CG 3.87Å; K253-F275 HydrophobicContact CG-CD2 4.43Å; E271-F275 PolarHBondContact O-N 3.08Å; E271-F275 VanDerWaalsContact O-N 3.13Å; A272-F275 PolarHBondContact O-N 3.48Å; I273-F275 VanDerWaalsContact C-N 3.31Å; I273-F275 PolarHBondContact O-N 2.93Å; F275-A279 PolarHBondContact O-N 3.08Å; F275-V286 HydrophobicContact CE1-CG2 4.29Å
276I98.8Very high98Very high0 Ų046.6 Ų46.60%026%0.258CS..Hα-helixtrans-64.7-44.9174.8-67159.8000110.2L211 L234 A272 I273 E278 A279 L280 V286 V288 V300 Y304L211-I276 HydrophobicContact CD1-CG2 3.97Å; L234-I276 HydrophobicContact CD2-CD1 4.42Å; L234-I276 HydrophobicContact CD2-CG1 4.47Å; A272-I276 WeakPolarHBondContact O-CD1 3.19Å; A272-I276 VanDerWaalsContact O-CG1 3.31Å; A272-I276 WeakPolarHBondContact O-CG1 3.42Å; A272-I276 PolarHBondContact O-N 3.46Å; I273-I276 PolarHBondContact O-N 3.45Å; I276-E278 VanDerWaalsContact C-N 3.34Å; I276-E278 PolarHBondContact O-N 3.12Å; I276-A279 PolarHBondContact O-N 3.41Å; I276-L280 HydrophobicContact CG2-CD1 3.96Å; I276-L280 HydrophobicContact CG2-CG 4.41Å; I276-L280 WeakPolarHBondContact O-CG 3.16Å; I276-L280 PolarHBondContact O-N 2.61Å; I276-L280 VanDerWaalsContact O-N 3.1Å; I276-V286 HydrophobicContact CG1-CG2 4.43Å; I276-V286 HydrophobicContact CG2-CG1 4.1Å; I276-V288 HydrophobicContact CD1-CG2 3.93Å; I276-V288 HydrophobicContact CG1-CG2 4.09Å; I276-V300 HydrophobicContact CD1-CG1 4.22Å; I276-Y304 HydrophobicContact CB-CD2 3.75Å; I276-Y304 HydrophobicContact CB-CE2 3.64Å; I276-Y304 HydrophobicContact CD1-CD2 3.77Å; I276-Y304 HydrophobicContact CD1-CG 3.98Å; I276-Y304 HydrophobicContact CG1-CD2 4.38Å; I276-Y304 HydrophobicContact CG2-CD1 4.22Å; I276-Y304 HydrophobicContact CG2-CD2 3.59Å; I276-Y304 HydrophobicContact CG2-CE1 3.94Å; I276-Y304 HydrophobicContact CG2-CE2 3.26Å; I276-Y304 HydrophobicContact CG2-CG 4.08Å; I276-Y304 VanDerWaalsContact CG2-CZ 3.47Å
277D98.1Very high98.1Very high44 Ų4444.9 Ų44.924%0.23525%0.246CC..Hα-helixtrans-61.6-41.9177.5-74.2-28000112.7I273 A274 A279 L280 S281 Y304 K308I273-D277 PolarHBondContact O-N 2.7Å; A274-D277 PolarHBondContact O-N 3.17Å; D277-A279 VanDerWaalsContact C-N 3.3Å; D277-A279 PolarHBondContact O-N 3.34Å; D277-L280 PolarHBondContact O-N 3.34Å; D277-S281 VanDerWaalsContact O-CB 3.3Å; D277-S281 WeakPolarHBondContact O-CB 3.42Å; D277-S281 PolarHBondContact O-N 3.24Å; D277-S281 PolarHBondContact O-OG 2.89Å; D277-Y304 VanDerWaalsContact OD1-CE2 3.31Å; D277-Y304 WeakPolarHBondContact OD1-CE2 3.38Å; D277-Y304 PolarHBondContact OD1-OH 2.64Å; D277-K308 WeakPolarHBondContact OD1-CE 3.1Å; D277-K308 IonicContact OD1-NZ 3.73Å; D277-K308 WeakPolarHBondContact OD2-CE 3.34Å; D277-K308 IonicContact OD2-NZ 3.81Å; D277-K308 PolarHBondContact OD2-NZ 2.83Å
278E98.4Very high98.2Very high88 Ų8839.3 Ų39.341%0.41122%0.22SC..Hα-helixtrans-55.4-50.4177.8-170.5-166145.600110Y232 A274 I276 L280 S281 Q282Y232-E278 HydrophobicContact CE1-CB 4.36Å; Y232-E278 HydrophobicContact CE1-CG 4.08Å; Y232-E278 WeakPolarHBondContact CE1-OE1 3Å; Y232-E278 PolarHBondContact OH-OE1 2.83Å; A274-E278 WeakPolarHBondContact O-CB 3.18Å; A274-E278 PolarHBondContact O-N 3.16Å; I276-E278 VanDerWaalsContact C-N 3.34Å; I276-E278 PolarHBondContact O-N 3.12Å; E278-L280 PolarHBondContact O-N 3.13Å; E278-S281 PolarHBondContact O-N 2.83Å; E278-S281 PolarHBondContact O-OG 2.6Å; E278-Q282 WeakPolarHBondContact O-CG 3.49Å; E278-Q282 PolarHBondContact O-N 2.88Å
279A98.2Very high98.2Very high0 Ų037.3 Ų37.30%021%0.211CC..Hα-helixtrans-57.8-47.7177.600000112.7Y232 F275 I276 D277 S281 Q282 N283 C284 V286Y232-A279 HydrophobicContact CD1-CB 3.73Å; Y232-A279 HydrophobicContact CD2-CB 3.5Å; Y232-A279 VanDerWaalsContact CD2-CB 3.5Å; Y232-A279 HydrophobicContact CE1-CB 4.29Å; Y232-A279 HydrophobicContact CE2-CB 4.09Å; Y232-A279 HydrophobicContact CG-CB 3.31Å; F275-A279 PolarHBondContact O-N 3.08Å; I276-A279 PolarHBondContact O-N 3.41Å; D277-A279 VanDerWaalsContact C-N 3.3Å; D277-A279 PolarHBondContact O-N 3.34Å; A279-S281 VanDerWaalsContact C-N 3.33Å; A279-S281 PolarHBondContact O-N 3.36Å; A279-Q282 PolarHBondContact O-N 3.31Å; A279-N283 PolarHBondContact O-N 3.08Å; A279-C284 PolarHBondContact O-N 3.2Å; A279-V286 HydrophobicContact CB-CB 3.61Å; A279-V286 HydrophobicContact CB-CG1 4.04Å; A279-V286 HydrophobicContact CB-CG2 4.26Å
280L97.6Very high98.1Very high43 Ų4337.4 Ų37.423%0.22521%0.212CC..Hα-helixtrans-67.7-33.8-178.9-64178.5000112.1N210 I276 D277 E278 Q282 N283 V286 Y304N210-L280 HydrophobicContact CB-CD2 3.57Å; I276-L280 HydrophobicContact CG2-CD1 3.96Å; I276-L280 HydrophobicContact CG2-CG 4.41Å; I276-L280 WeakPolarHBondContact O-CG 3.16Å; I276-L280 PolarHBondContact O-N 2.61Å; I276-L280 VanDerWaalsContact O-N 3.1Å; D277-L280 PolarHBondContact O-N 3.34Å; E278-L280 PolarHBondContact O-N 3.13Å; L280-Q282 VanDerWaalsContact C-N 3.27Å; L280-Q282 PolarHBondContact O-N 3.08Å; L280-N283 PolarHBondContact O-N 3.42Å; L280-V286 HydrophobicContact CD2-CG1 4.26Å; L280-V286 HydrophobicContact CG-CG1 4.46Å; L280-Y304 HydrophobicContact CD1-CE1 4.34Å; L280-Y304 VanDerWaalsContact CD1-OH 3.24Å; L280-Y304 WeakPolarHBondContact CD1-OH 3.42Å
281S97.6Very high97.9Very high87 Ų8738.3 Ų38.361%0.60821%0.211SC*.Hα-helixtrans-65.4-30175.578.10000112.9D277 E278 A279 N283D277-S281 VanDerWaalsContact O-CB 3.3Å; D277-S281 WeakPolarHBondContact O-CB 3.42Å; D277-S281 PolarHBondContact O-N 3.24Å; D277-S281 PolarHBondContact O-OG 2.89Å; E278-S281 PolarHBondContact O-N 2.83Å; E278-S281 PolarHBondContact O-OG 2.6Å; A279-S281 VanDerWaalsContact C-N 3.33Å; A279-S281 PolarHBondContact O-N 3.36Å; S281-N283 PolarHBondContact O-N 2.96Å
282Q96.8Very high97.5Very high122 Ų12237.3 Ų37.357%0.5722%0.216SC*.THydrogen-bonded Turntrans-85.44.5174.2-61.5-58.8-37.600112.6E278 A279 L280 C284E278-Q282 WeakPolarHBondContact O-CG 3.49Å; E278-Q282 PolarHBondContact O-N 2.88Å; A279-Q282 PolarHBondContact O-N 3.31Å; L280-Q282 VanDerWaalsContact C-N 3.27Å; L280-Q282 PolarHBondContact O-N 3.08Å; Q282-C284 HydrophobicContact CB-CB 4.44Å; Q282-C284 PolarHBondContact O-N 3.34Å
283N96.3Very high97.4Very high130 Ų13037.3 Ų37.370%0.69522%0.216SC*.THydrogen-bonded Turntrans54.830.7-173.3-165.251.2000112.9N210 A279 L280 S281N210-N283 PolarHBondContact ND2-OD1 2.83Å; A279-N283 PolarHBondContact O-N 3.08Å; L280-N283 PolarHBondContact O-N 3.42Å; S281-N283 PolarHBondContact O-N 2.96Å
284C96.9Very high97.2Very high32 Ų3238.8 Ų38.822%0.21623%0.225CC..  trans-98.7148.9177.2-74.40000110.5R231 Y232 A279 Q282R231-C284 HydrophobicContact CB-CB 4.11Å; R231-C284 HydrophobicContact CG-CB 4.41Å; Y232-C284 HydrophobicContact CD2-CB 3.96Å; Y232-C284 HydrophobicContact CE2-CB 4.13Å; A279-C284 PolarHBondContact O-N 3.2Å; Q282-C284 HydrophobicContact CB-CB 4.44Å; Q282-C284 PolarHBondContact O-N 3.34Å
285G98.2Very high97.1Very high1 Ų136.2 Ų36.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-68.7139.916900000111.4N210 G229 I230 R231 Y232N210-G285 CarbonylContact O-C 3.55Å; N210-G285 WeakPolarHBondContact O-CA 3.43Å; G229-G285 WeakPolarHBondContact O-CA 3.07Å; G229-G285 PolarHBondContact O-N 3.44Å; I230-G285 WeakPolarHBondContact CA-O 3.45Å; R231-G285 PolarHBondContact N-O 3.19Å; Y232-G285 PolarHBondContact N-O 3.44Å; Y232-G285 VanDerWaalsContact N-O 3.13Å
286V98.8Very high97.1Very high0 Ų036.7 Ų36.70%021%0.206CC..EExtended strand (participates in β ladder)trans-121.6131171.855.60000111.3N210 L211 Y212 Y232 F275 I276 A279 L280N210-V286 PolarHBondContact O-N 3.17Å; L211-V286 HydrophobicContact CB-CG1 4.44Å; L211-V286 HydrophobicContact CD1-CG1 3.77Å; Y212-V286 PolarHBondContact N-O 2.66Å; Y232-V286 CarbonylContact O-C 3.55Å; Y232-V286 VanDerWaalsContact O-CA 3.27Å; Y232-V286 WeakPolarHBondContact O-CA 3.36Å; F275-V286 HydrophobicContact CE1-CG2 4.29Å; I276-V286 HydrophobicContact CG1-CG2 4.43Å; I276-V286 HydrophobicContact CG2-CG1 4.1Å; A279-V286 HydrophobicContact CB-CB 3.61Å; A279-V286 HydrophobicContact CB-CG1 4.04Å; A279-V286 HydrophobicContact CB-CG2 4.26Å; L280-V286 HydrophobicContact CD2-CG1 4.26Å; L280-V286 HydrophobicContact CG-CG1 4.46Å
287L98.8Very high97.1Very high0 Ų036.7 Ų36.70%021%0.206CC..EExtended strand (participates in β ladder)trans-103.7118172.5176.662.1000110.3P204 D218 L225 I230 Y232 I233 L234 H289P204-L287 HydrophobicContact CB-CD1 3.63Å; P204-L287 HydrophobicContact CG-CD1 4.07Å; D218-L287 HydrophobicContact CB-CD2 4.46Å; L225-L287 HydrophobicContact CD2-CD2 3.86Å; I230-L287 HydrophobicContact CD1-CB 4.27Å; I230-L287 HydrophobicContact CG2-CB 3.95Å; Y232-L287 PolarHBondContact O-N 3.1Å; I233-L287 WeakPolarHBondContact CA-O 3.31Å; I233-L287 HydrophobicContact CG1-CB 4.46Å; L234-L287 PolarHBondContact N-O 3.34Å; L287-H289 HydrophobicContact CD2-CB 4.44Å; L287-H289 HydrophobicContact CG-CB 4.21Å
288V98.8Very high97.1Very high0 Ų034.6 Ų34.60%020%0.195CC..EExtended strand (participates in β ladder)trans-96116.8166.4-171.70000108.3L211 Y212 L213 G214 L234 V236 I276 V300L211-V288 HydrophobicContact CD1-CG2 3.94Å; Y212-V288 PolarHBondContact O-N 3.21Å; L213-V288 WeakPolarHBondContact CA-O 3.37Å; G214-V288 PolarHBondContact N-O 3.09Å; L234-V288 HydrophobicContact CB-CG2 4.38Å; L234-V288 HydrophobicContact CD2-CG1 4.12Å; L234-V288 HydrophobicContact CD2-CG2 4.28Å; L234-V288 HydrophobicContact CG-CG1 4.44Å; V236-V288 HydrophobicContact CG2-CG1 4.23Å; I276-V288 HydrophobicContact CD1-CG2 3.93Å; I276-V288 HydrophobicContact CG1-CG2 4.09Å; V288-V300 HydrophobicContact CG1-CB 4.19Å; V288-V300 HydrophobicContact CG1-CG1 4.04Å
289H98.6Very high97.1Very high2 Ų230.4 Ų30.41%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-134.1159.7-178.681.199.6000113.4G214 S219 L234 N235 V236 L287 S297G214-H289 WeakPolarHBondContact O-CA 3.35Å; G214-H289 WeakPolarHBondContact O-CB 3.33Å; S219-H289 PolarHBondContact OG-CE1 2.81Å; S219-H289 PolarHBondContact OG-ND1 2.91Å; L234-H289 PolarHBondContact O-CD2 3.06Å; L234-H289 PolarHBondContact O-N 2.94Å; N235-H289 WeakPolarHBondContact CA-NE2 3.32Å; N235-H289 WeakPolarHBondContact CB-NE2 3.23Å; V236-H289 PolarHBondContact N-O 3.21Å; L287-H289 HydrophobicContact CD2-CB 4.44Å; L287-H289 HydrophobicContact CG-CB 4.21Å; H289-S297 VanDerWaalsContact C-CB 3.49Å
290C97.6Very high97.2Very high2 Ų230.5 Ų30.51%0.01418%0.175CC..  trans-134.6-153.4165.471.40000108.2S215 A216 V236 T237 G293 R296 S297S215-C290 CarbonylContact C-O 3.51Å; S215-C290 VanDerWaalsContact C-O 3.29Å; A216-C290 PolarHBondContact N-O 3.34Å; V236-C290 HydrophobicContact CB-CB 4.46Å; T237-C290 HydrophobicContact CG2-CB 4.06Å; C290-G293 PolarHBondContact SG-N 2.95Å; C290-R296 HydrophobicContact CB-CB 3.81Å; C290-S297 PolarHBondContact SG-OG 2.88Å
291L93.6Very high97.2Very high106 Ų10628.4 Ų28.456%0.55517%0.165SC*.SBendtrans-65-61.9177.7-175.362.4000112.1S215 A216S215-L291 WeakPolarHBondContact CB-O 3.4Å; A216-L291 HydrophobicContact CB-CD1 4.2Å; A216-L291 PolarHBondContact N-O 3.02Å
292A90.9Very high97.3Very high56 Ų5624.3 Ų24.346%0.46314%0.136SC..SBendtrans-100.8-9.9-17500000114.2V294A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 HydrophobicContact CB-CB 4.41Å; A292-V294 HydrophobicContact CB-CG2 4.02Å
293G95.5Very high97.4Very high0 Ų018.5 Ų18.50%011%0.108CC..SBendtrans69.428.3-173.600000114.4G214 C290 K324G214-G293 WeakPolarHBondContact O-CA 3.49Å; C290-G293 PolarHBondContact SG-N 2.95Å; G293-K324 WeakPolarHBondContact O-CE 3.36Å
294V94Very high97.5Very high35 Ų3513 Ų1321%0.2128%0.078CC..SBendtrans-112-36.7-171.3171.30000113.8A292 V298 S328A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 HydrophobicContact CB-CB 4.41Å; A292-V294 HydrophobicContact CB-CG2 4.02Å; V294-V298 VanDerWaalsContact O-CG2 3.26Å; V294-V298 WeakPolarHBondContact O-CG2 3.28Å; V294-S328 CarbonylContact O-C 3.57Å; V294-S328 VanDerWaalsContact O-C 3.31Å; V294-S328 PolarHBondContact O-N 3.24Å
295S97.2Very high97.6Very high3 Ų311.4 Ų11.42%0.0217%0.068CC..SBendtrans-124.9-72-169.9168.70000113.3D259 V298 T299 N330D259-S295 WeakPolarHBondContact OD1-CB 3.17Å; D259-S295 PolarHBondContact OD1-OG 2.71Å; D259-S295 WeakPolarHBondContact OD2-CB 3.36Å; D259-S295 PolarHBondContact OD2-OG 3.1Å; S295-V298 WeakPolarHBondContact O-CB 3.5Å; S295-V298 PolarHBondContact O-N 3.38Å; S295-T299 WeakPolarHBondContact O-CB 3.48Å; S295-T299 PolarHBondContact O-N 2.79Å; S295-T299 PolarHBondContact O-OG1 2.65Å; S295-N330 PolarHBondContact OG-N 3.46Å; S295-N330 VanDerWaalsContact OG-N 3.11Å
296R98.7Very high97.6Very high20 Ų2011.5 Ų11.58%0.0757%0.068CC..Hα-helixtrans-57.7-56.1-176.6-72.5167.6-71.6178.4-5.5114.6V236 I257 D259 C290 V298 T299 V300 F333V236-R296 HydrophobicContact CB-CB 4.16Å; V236-R296 HydrophobicContact CG1-CB 3.81Å; V236-R296 HydrophobicContact CG1-CG 4.5Å; V236-R296 VanDerWaalsContact O-CD 3.32Å; V236-R296 WeakPolarHBondContact O-CD 3.48Å; V236-R296 PolarHBondContact O-NH1 3.22Å; I257-R296 WeakPolarHBondContact O-CD 3.25Å; I257-R296 PolarHBondContact O-NH1 3Å; I257-R296 VanDerWaalsContact O-NH1 3.09Å; D259-R296 HydrophobicContact CB-CG 4.17Å; C290-R296 HydrophobicContact CB-CB 3.81Å; R296-V298 VanDerWaalsContact C-N 3.31Å; R296-V298 PolarHBondContact O-N 3.22Å; R296-T299 WeakPolarHBondContact O-CB 3.38Å; R296-T299 PolarHBondContact O-N 2.76Å; R296-T299 VanDerWaalsContact O-N 3.16Å; R296-V300 PolarHBondContact O-N 3.28Å; R296-V300 VanDerWaalsContact O-N 3.14Å; R296-F333 HydrophobicContact CB-CE2 4.5Å; R296-F333 HydrophobicContact CG-CD2 4.45Å; R296-F333 HydrophobicContact CG-CE2 3.53Å; R296-F333 HydrophobicContact CG-CZ 4.19Å
297S98.7Very high97.6Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-63.2-39.4179.150.40000112L213 H289 C290 T299 V300 T301L213-S297 WeakPolarHBondContact CD1-OG 3.32Å; H289-S297 VanDerWaalsContact C-CB 3.49Å; C290-S297 PolarHBondContact SG-OG 2.88Å; S297-T299 VanDerWaalsContact C-N 3.31Å; S297-T299 PolarHBondContact O-N 2.95Å; S297-V300 PolarHBondContact O-N 2.96Å; S297-T301 PolarHBondContact O-N 2.81Å; S297-T301 PolarHBondContact O-OG1 3.16Å
298V98.8Very high97.5Very high0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-57.4-46172.8174.40000111L213 V294 S295 R296 V300 T301 V302 V320 I327 P329L213-V298 HydrophobicContact CD1-CG2 4.25Å; L213-V298 HydrophobicContact CD2-CG2 3.86Å; V294-V298 VanDerWaalsContact O-CG2 3.26Å; V294-V298 WeakPolarHBondContact O-CG2 3.28Å; S295-V298 WeakPolarHBondContact O-CB 3.5Å; S295-V298 PolarHBondContact O-N 3.38Å; R296-V298 VanDerWaalsContact C-N 3.31Å; R296-V298 PolarHBondContact O-N 3.22Å; V298-V300 VanDerWaalsContact C-N 3.33Å; V298-V300 PolarHBondContact O-N 3.16Å; V298-T301 PolarHBondContact O-N 3.01Å; V298-V302 HydrophobicContact CG1-CG2 4.13Å; V298-V302 WeakPolarHBondContact O-CB 3.5Å; V298-V302 WeakPolarHBondContact O-CG2 3.41Å; V298-V302 PolarHBondContact O-N 2.93Å; V298-V320 HydrophobicContact CG1-CG1 4.44Å; V298-I327 HydrophobicContact CB-CG2 4.44Å; V298-I327 HydrophobicContact CG1-CB 3.93Å; V298-I327 HydrophobicContact CG1-CD1 4.02Å; V298-I327 HydrophobicContact CG1-CG2 4.06Å; V298-I327 HydrophobicContact CG2-CB 3.91Å; V298-I327 HydrophobicContact CG2-CG2 3.46Å; V298-I327 VanDerWaalsContact CG2-CG2 3.46Å; V298-P329 HydrophobicContact CB-CG 4.27Å; V298-P329 HydrophobicContact CG1-CG 3.68Å
299T98.8Very high97.3Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-58.7-47.3-179.5-54.70000110.6L265 F269 S295 R296 S297 V302 A303 F333 L337L265-T299 HydrophobicContact CD2-CG2 3.87Å; F269-T299 HydrophobicContact CE1-CG2 4.03Å; F269-T299 HydrophobicContact CZ-CG2 3.86Å; S295-T299 WeakPolarHBondContact O-CB 3.48Å; S295-T299 PolarHBondContact O-N 2.79Å; S295-T299 PolarHBondContact O-OG1 2.65Å; R296-T299 WeakPolarHBondContact O-CB 3.38Å; R296-T299 PolarHBondContact O-N 2.76Å; R296-T299 VanDerWaalsContact O-N 3.16Å; S297-T299 VanDerWaalsContact C-N 3.31Å; S297-T299 PolarHBondContact O-N 2.95Å; T299-V302 PolarHBondContact O-N 3.41Å; T299-A303 WeakPolarHBondContact O-CB 3.31Å; T299-A303 PolarHBondContact O-N 2.77Å; T299-F333 HydrophobicContact CG2-CB 3.8Å; T299-F333 HydrophobicContact CG2-CG 4.27Å; T299-L337 HydrophobicContact CG2-CD1 3.89Å; T299-L337 HydrophobicContact CG2-CD2 4.07Å; T299-L337 HydrophobicContact CG2-CG 3.85Å
300V98.9Very high97.2Very high1 Ų128.4 Ų28.41%0.00615%0.147CC..Hα-helixtrans-62.2-44.3176.31720000111.6L234 V236 L265 A272 I276 V288 R296 S297 V298 V302 A303 Y304L234-V300 HydrophobicContact CD2-CG1 3.86Å; V236-V300 HydrophobicContact CG1-CG2 4.29Å; V236-V300 HydrophobicContact CG2-CG2 4.07Å; L265-V300 HydrophobicContact CD1-CG2 4.24Å; L265-V300 HydrophobicContact CD2-CG2 4.26Å; L265-V300 HydrophobicContact CG-CG2 4.42Å; A272-V300 HydrophobicContact CB-CG1 3.62Å; I276-V300 HydrophobicContact CD1-CG1 4.22Å; V288-V300 HydrophobicContact CG1-CB 4.19Å; V288-V300 HydrophobicContact CG1-CG1 4.04Å; R296-V300 PolarHBondContact O-N 3.28Å; R296-V300 VanDerWaalsContact O-N 3.14Å; S297-V300 PolarHBondContact O-N 2.96Å; V298-V300 VanDerWaalsContact C-N 3.33Å; V298-V300 PolarHBondContact O-N 3.16Å; V300-V302 PolarHBondContact O-N 3.21Å; V300-A303 PolarHBondContact O-N 3.43Å; V300-Y304 PolarHBondContact O-N 3.12Å
301T98.9Very high97.2Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-62.3-42.5177.4-58.70000112.1I207 S297 V298 Y304 L305 V320I207-T301 HydrophobicContact CB-CG2 4.32Å; I207-T301 HydrophobicContact CG1-CG2 4.11Å; I207-T301 HydrophobicContact CG2-CG2 3.91Å; S297-T301 PolarHBondContact O-N 2.81Å; S297-T301 PolarHBondContact O-OG1 3.16Å; V298-T301 PolarHBondContact O-N 3.01Å; T301-Y304 WeakPolarHBondContact O-CB 3.46Å; T301-Y304 PolarHBondContact O-N 3.23Å; T301-L305 HydrophobicContact CG2-CD1 4.42Å; T301-L305 VanDerWaalsContact O-CG 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.45Å; T301-L305 PolarHBondContact O-N 2.97Å; T301-V320 HydrophobicContact CG2-CG2 4.11Å
302V98.9Very high97.3Very high0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-64.6-44.9177.1171.30000110.6V298 T299 V300 Y304 L305 M306 L313 A316 Y317 V320 L337V298-V302 HydrophobicContact CG1-CG2 4.13Å; V298-V302 WeakPolarHBondContact O-CB 3.5Å; V298-V302 WeakPolarHBondContact O-CG2 3.41Å; V298-V302 PolarHBondContact O-N 2.93Å; T299-V302 PolarHBondContact O-N 3.41Å; V300-V302 PolarHBondContact O-N 3.21Å; V302-Y304 VanDerWaalsContact C-N 3.3Å; V302-Y304 PolarHBondContact O-N 3.49Å; V302-L305 PolarHBondContact O-N 3.02Å; V302-M306 HydrophobicContact CG1-CG 4.38Å; V302-M306 HydrophobicContact CG1-SD 3.88Å; V302-M306 VanDerWaalsContact O-CG 3.28Å; V302-M306 WeakPolarHBondContact O-CG 3.35Å; V302-M306 PolarHBondContact O-N 3.44Å; V302-L313 HydrophobicContact CG1-CD1 3.63Å; V302-A316 HydrophobicContact CG1-CB 3.96Å; V302-Y317 HydrophobicContact CG2-CD2 4.49Å; V302-V320 HydrophobicContact CG2-CG2 3.98Å; V302-L337 HydrophobicContact CB-CD1 4.21Å; V302-L337 HydrophobicContact CB-CD2 4.41Å; V302-L337 HydrophobicContact CG1-CD1 3.91Å; V302-L337 HydrophobicContact CG1-CD2 4.13Å
303A98.8Very high97.7Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-57.6-42.617500000112F269 T299 V300 M306 Q307 L337 F340F269-A303 HydrophobicContact CB-CB 4.48Å; F269-A303 HydrophobicContact CD1-CB 3.84Å; F269-A303 HydrophobicContact CD2-CB 3.76Å; F269-A303 HydrophobicContact CE1-CB 3.89Å; F269-A303 HydrophobicContact CE2-CB 3.81Å; F269-A303 HydrophobicContact CG-CB 3.78Å; F269-A303 HydrophobicContact CZ-CB 3.88Å; T299-A303 WeakPolarHBondContact O-CB 3.31Å; T299-A303 PolarHBondContact O-N 2.77Å; V300-A303 PolarHBondContact O-N 3.43Å; A303-M306 PolarHBondContact O-N 3.29Å; A303-Q307 PolarHBondContact O-N 3.18Å; A303-L337 HydrophobicContact CB-CD2 3.83Å; A303-F340 HydrophobicContact CB-CD1 4.13Å; A303-F340 HydrophobicContact CB-CE1 3.97Å
304Y98.8Very high97.6Very high14 Ų1430 Ų306%0.05515%0.15CC..Hα-helixtrans-58.8-49.4174.8-179.8-93.4000112.2L208 L211 I273 I276 D277 L280 V300 T301 V302 M306 Q307 K308L208-Y304 HydrophobicContact CD1-CE1 4.27Å; L211-Y304 HydrophobicContact CD2-CD1 3.72Å; L211-Y304 HydrophobicContact CD2-CE1 3.92Å; I273-Y304 HydrophobicContact CB-CD2 4.16Å; I273-Y304 HydrophobicContact CG1-CD2 4.02Å; I273-Y304 HydrophobicContact CG2-CD2 3.85Å; I273-Y304 HydrophobicContact CG2-CE2 4.13Å; I276-Y304 HydrophobicContact CB-CD2 3.75Å; I276-Y304 HydrophobicContact CB-CE2 3.64Å; I276-Y304 HydrophobicContact CD1-CD2 3.77Å; I276-Y304 HydrophobicContact CD1-CG 3.98Å; I276-Y304 HydrophobicContact CG1-CD2 4.38Å; I276-Y304 HydrophobicContact CG2-CD1 4.22Å; I276-Y304 HydrophobicContact CG2-CD2 3.59Å; I276-Y304 HydrophobicContact CG2-CE1 3.94Å; I276-Y304 HydrophobicContact CG2-CE2 3.26Å; I276-Y304 HydrophobicContact CG2-CG 4.08Å; I276-Y304 VanDerWaalsContact CG2-CZ 3.47Å; D277-Y304 VanDerWaalsContact OD1-CE2 3.31Å; D277-Y304 WeakPolarHBondContact OD1-CE2 3.38Å; D277-Y304 PolarHBondContact OD1-OH 2.64Å; L280-Y304 HydrophobicContact CD1-CE1 4.34Å; L280-Y304 VanDerWaalsContact CD1-OH 3.24Å; L280-Y304 WeakPolarHBondContact CD1-OH 3.42Å; V300-Y304 PolarHBondContact O-N 3.12Å; T301-Y304 WeakPolarHBondContact O-CB 3.46Å; T301-Y304 PolarHBondContact O-N 3.23Å; V302-Y304 VanDerWaalsContact C-N 3.3Å; V302-Y304 PolarHBondContact O-N 3.49Å; Y304-M306 VanDerWaalsContact C-N 3.34Å; Y304-M306 PolarHBondContact O-N 2.61Å; Y304-Q307 PolarHBondContact O-N 3.29Å; Y304-K308 HydrophobicContact CD2-CG 4Å; Y304-K308 HydrophobicContact CE1-CB 4.14Å; Y304-K308 HydrophobicContact CE1-CG 4.12Å; Y304-K308 HydrophobicContact CE2-CB 4.45Å; Y304-K308 HydrophobicContact CE2-CD 4.49Å; Y304-K308 HydrophobicContact CE2-CG 3.57Å; Y304-K308 HydrophobicContact CG-CG 4.44Å; Y304-K308 WeakPolarHBondContact O-CB 3.37Å; Y304-K308 PolarHBondContact O-N 3.5Å
305L98.7Very high97.8Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-61.7-41.6179.5-67.4173.7000112.1I207 L208 T301 V302 L309 L311 A316 L319 V320I207-L305 HydrophobicContact CG2-CD1 3.96Å; I207-L305 HydrophobicContact CG2-CD2 4.31Å; L208-L305 HydrophobicContact CD1-CD2 3.58Å; L208-L305 HydrophobicContact CD2-CD2 4.23Å; L208-L305 HydrophobicContact CG-CD2 3.89Å; T301-L305 HydrophobicContact CG2-CD1 4.42Å; T301-L305 VanDerWaalsContact O-CG 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.45Å; T301-L305 PolarHBondContact O-N 2.97Å; V302-L305 PolarHBondContact O-N 3.02Å; L305-L309 HydrophobicContact CD2-CD1 3.81Å; L305-L309 WeakPolarHBondContact O-CA 3.48Å; L305-L309 WeakPolarHBondContact O-CB 3.5Å; L305-L309 PolarHBondContact O-N 2.8Å; L305-L311 HydrophobicContact CB-CD1 4.45Å; L305-A316 HydrophobicContact CB-CB 3.89Å; L305-L319 HydrophobicContact CD1-CD2 4.02Å; L305-V320 HydrophobicContact CD1-CG2 3.53Å
306M98.6Very high97.8Very high2 Ų232.3 Ų32.31%0.0116%0.161CC..Hα-helixtrans-59.7-50.3176.5-68.1165.261.200111.2V302 A303 Y304 H310 L311 L313 A316 L337 F340 E341 L344V302-M306 HydrophobicContact CG1-CG 4.38Å; V302-M306 HydrophobicContact CG1-SD 3.88Å; V302-M306 VanDerWaalsContact O-CG 3.28Å; V302-M306 WeakPolarHBondContact O-CG 3.35Å; V302-M306 PolarHBondContact O-N 3.44Å; A303-M306 PolarHBondContact O-N 3.29Å; Y304-M306 VanDerWaalsContact C-N 3.34Å; Y304-M306 PolarHBondContact O-N 2.61Å; M306-H310 VanDerWaalsContact O-CA 3.22Å; M306-H310 WeakPolarHBondContact O-CA 3.4Å; M306-H310 PolarHBondContact O-N 3.4Å; M306-H310 VanDerWaalsContact O-N 3.13Å; M306-L311 WeakPolarHBondContact CA-O 3.38Å; M306-L311 PolarHBondContact O-N 3.45Å; M306-L313 HydrophobicContact CE-CB 4.17Å; M306-L313 HydrophobicContact SD-CB 4.19Å; M306-L313 HydrophobicContact SD-CD1 3.88Å; M306-A316 HydrophobicContact CG-CB 3.63Å; M306-L337 HydrophobicContact SD-CD2 4.11Å; M306-F340 HydrophobicContact CE-CD1 4.11Å; M306-E341 HydrophobicContact CE-CB 3.46Å; M306-E341 VanDerWaalsContact CE-CB 3.46Å; M306-E341 HydrophobicContact CE-CG 3.96Å; M306-L344 HydrophobicContact CB-CD1 4Å; M306-L344 HydrophobicContact CE-CD1 4.49Å
307Q97.8Very high97.8Very high57 Ų5733.6 Ų33.627%0.26617%0.167SC..Hα-helixtrans-71.7-37.7-176.8-174164.132.400113I273 A303 Y304 F340 L344I273-Q307 HydrophobicContact CD1-CB 4.1Å; A303-Q307 PolarHBondContact O-N 3.18Å; Y304-Q307 PolarHBondContact O-N 3.29Å; Q307-F340 HydrophobicContact CB-CE1 4.28Å; Q307-F340 HydrophobicContact CB-CZ 4.19Å; Q307-L344 HydrophobicContact CB-CD1 4.17Å; Q307-L344 HydrophobicContact CB-CD2 4.11Å; Q307-L344 HydrophobicContact CG-CD2 3.85Å
308K96.5Very high97.7Very high86 Ų8637.2 Ų37.237%0.37419%0.186SC..Hα-helixtrans-92.4-27.5-171.5-66.9-63.6179.6171.40115.2I273 D277 Y304I273-K308 VanDerWaalsContact CG2-CE 3.46Å; I273-K308 HydrophobicContact CG2-CG 4.35Å; D277-K308 WeakPolarHBondContact OD1-CE 3.1Å; D277-K308 IonicContact OD1-NZ 3.73Å; D277-K308 WeakPolarHBondContact OD2-CE 3.34Å; D277-K308 IonicContact OD2-NZ 3.81Å; D277-K308 PolarHBondContact OD2-NZ 2.83Å; Y304-K308 HydrophobicContact CD2-CG 4Å; Y304-K308 HydrophobicContact CE1-CB 4.14Å; Y304-K308 HydrophobicContact CE1-CG 4.12Å; Y304-K308 HydrophobicContact CE2-CB 4.45Å; Y304-K308 HydrophobicContact CE2-CD 4.49Å; Y304-K308 HydrophobicContact CE2-CG 3.57Å; Y304-K308 HydrophobicContact CG-CG 4.44Å; Y304-K308 WeakPolarHBondContact O-CB 3.37Å; Y304-K308 PolarHBondContact O-N 3.5Å
309L95.8Very high97.6Very high81 Ų8138.6 Ų38.642%0.42419%0.193SC..Hα-helixtrans-108.66.9177.5-56-176.2000112.1L208 L305 L311L208-L309 HydrophobicContact CD1-CD1 4.1Å; L208-L309 HydrophobicContact CD2-CD1 4.12Å; L305-L309 HydrophobicContact CD2-CD1 3.81Å; L305-L309 WeakPolarHBondContact O-CA 3.48Å; L305-L309 WeakPolarHBondContact O-CB 3.5Å; L305-L309 PolarHBondContact O-N 2.8Å; L309-L311 HydrophobicContact CB-CD1 4Å; L309-L311 HydrophobicContact CB-CG 3.79Å; L309-L311 HydrophobicContact CD1-CD1 4.16Å; L309-L311 PolarHBondContact O-N 3.04Å
310H96.1Very high97.6Very high133 Ų13338.6 Ų38.662%0.61619%0.193SC*.  trans51.637-177.1-60.2-82.6000112.7M306 E348M306-H310 VanDerWaalsContact O-CA 3.22Å; M306-H310 WeakPolarHBondContact O-CA 3.4Å; M306-H310 PolarHBondContact O-N 3.4Å; M306-H310 VanDerWaalsContact O-N 3.13Å; H310-E348 IonicContact CE1-OE1 2.78Å; H310-E348 IonicContact CG-OE1 3.52Å; H310-E348 IonicContact ND1-OE1 3.68Å; H310-E348 PolarHBondContact ND1-OE1 3.46Å
311L96.4Very high97.4Very high47 Ų4742 Ų4225%0.24621%0.208CC..  trans-85.6145.8-179.5-66.8178.7000110.8L305 M306 L309 D315 A316 L319L305-L311 HydrophobicContact CB-CD1 4.45Å; M306-L311 WeakPolarHBondContact CA-O 3.38Å; M306-L311 PolarHBondContact O-N 3.45Å; L309-L311 HydrophobicContact CB-CD1 4Å; L309-L311 HydrophobicContact CB-CG 3.79Å; L309-L311 HydrophobicContact CD1-CD1 4.16Å; L309-L311 PolarHBondContact O-N 3.04Å; L311-D315 HydrophobicContact CB-CB 4.24Å; L311-D315 HydrophobicContact CD2-CB 4.19Å; L311-A316 HydrophobicContact CB-CB 4.03Å; L311-A316 HydrophobicContact CD1-CB 4.38Å; L311-L319 HydrophobicContact CD1-CD1 4.05Å
312S97.5Very high97.2Very high30 Ų3050.8 Ų50.821%0.2124%0.241CC..  trans-61.9160165.175.80000110.4N314 D315 A316 E341S312-N314 PolarHBondContact O-N 3.1Å; S312-D315 PolarHBondContact O-N 3.36Å; S312-D315 PolarHBondContact OG-N 3.19Å; S312-D315 VanDerWaalsContact OG-N 3.11Å; S312-D315 PolarHBondContact OG-OD2 3.15Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.48Å; S312-E341 WeakPolarHBondContact CA-OE1 3.19Å; S312-E341 VanDerWaalsContact CB-OE1 3.29Å; S312-E341 WeakPolarHBondContact CB-OE1 3.36Å
313L97.9Very high97Very high4 Ų454.9 Ų54.92%0.02126%0.259CS..Hα-helixtrans-54.6-44.6174.3171.355.8000111.1V302 M306 Y317 M334 L337 L338 E341V302-L313 HydrophobicContact CG1-CD1 3.63Å; M306-L313 HydrophobicContact CE-CB 4.17Å; M306-L313 HydrophobicContact SD-CB 4.19Å; M306-L313 HydrophobicContact SD-CD1 3.88Å; L313-Y317 WeakPolarHBondContact O-CB 3.5Å; L313-Y317 PolarHBondContact O-N 2.92Å; L313-M334 HydrophobicContact CD1-SD 4.29Å; L313-M334 HydrophobicContact CD2-SD 3.93Å; L313-M334 HydrophobicContact CG-SD 4.44Å; L313-L337 HydrophobicContact CD1-CB 3.67Å; L313-L337 HydrophobicContact CD1-CD1 3.88Å; L313-L337 HydrophobicContact CD1-CG 4.29Å; L313-L337 HydrophobicContact CD2-CB 4.02Å; L313-L337 HydrophobicContact CG-CB 4.49Å; L313-L338 HydrophobicContact CD2-CB 4.37Å; L313-L338 HydrophobicContact CD2-CD2 3.48Å; L313-L338 VanDerWaalsContact CD2-CD2 3.48Å; L313-L338 HydrophobicContact CD2-CG 3.53Å; L313-E341 PolarHBondContact N-OE1 2.82Å; L313-E341 VanDerWaalsContact N-OE1 3.08Å
314N95Very high96.7Very high116 Ų11655.4 Ų55.462%0.6226%0.261SS*.Hα-helixtrans-61.8-47.4-179.6-70.3-24.7000111.3S312 Y317 D318S312-N314 PolarHBondContact O-N 3.1Å; N314-Y317 PolarHBondContact O-N 3.35Å; N314-D318 WeakPolarHBondContact O-CB 3.5Å; N314-D318 PolarHBondContact O-N 3.08Å
315D96.6Very high96.3Very high87 Ų8759.4 Ų59.447%0.46529%0.291SS..Hα-helixtrans-66.3-42.5-178.4-63-45.2000112.1L311 S312 D318 L319L311-D315 HydrophobicContact CB-CB 4.24Å; L311-D315 HydrophobicContact CD2-CB 4.19Å; S312-D315 PolarHBondContact O-N 3.36Å; S312-D315 PolarHBondContact OG-N 3.19Å; S312-D315 VanDerWaalsContact OG-N 3.11Å; S312-D315 PolarHBondContact OG-OD2 3.15Å; D315-D318 PolarHBondContact O-N 3.46Å; D315-L319 WeakPolarHBondContact O-CB 3.34Å; D315-L319 PolarHBondContact O-N 2.99Å
316A98.4Very high95.7Very high0 Ų063.3 Ų63.30%031%0.312CS..Hα-helixtrans-64-44.8176.500000111.4V302 L305 M306 L311 S312 L319 V320V302-A316 HydrophobicContact CG1-CB 3.96Å; L305-A316 HydrophobicContact CB-CB 3.89Å; M306-A316 HydrophobicContact CG-CB 3.63Å; L311-A316 HydrophobicContact CB-CB 4.03Å; L311-A316 HydrophobicContact CD1-CB 4.38Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.48Å; A316-L319 PolarHBondContact O-N 2.89Å; A316-V320 WeakPolarHBondContact O-CG2 3.05Å; A316-V320 PolarHBondContact O-N 2.94Å
317Y97.9Very high95.5Very high48 Ų4863.2 Ų63.219%0.18831%0.312CS..Hα-helixtrans-61.7-47.5176.5-176.3-92.1000111.7V302 L313 N314 L319 V320 K321 I327 P329 M334V302-Y317 HydrophobicContact CG2-CD2 4.49Å; L313-Y317 WeakPolarHBondContact O-CB 3.5Å; L313-Y317 PolarHBondContact O-N 2.92Å; N314-Y317 PolarHBondContact O-N 3.35Å; Y317-L319 VanDerWaalsContact C-N 3.31Å; Y317-L319 PolarHBondContact O-N 3.46Å; Y317-V320 PolarHBondContact O-N 3.36Å; Y317-K321 HydrophobicContact CE1-CB 4.44Å; Y317-K321 HydrophobicContact CE1-CD 4.41Å; Y317-K321 WeakPolarHBondContact O-CB 3.28Å; Y317-K321 PolarHBondContact O-N 2.92Å; Y317-I327 HydrophobicContact CD1-CD1 4.48Å; Y317-I327 HydrophobicContact CD2-CD1 4Å; Y317-I327 HydrophobicContact CE1-CD1 4.19Å; Y317-I327 HydrophobicContact CE2-CD1 3.65Å; Y317-I327 HydrophobicContact CE2-CG1 4.21Å; Y317-I327 HydrophobicContact CG-CD1 4.41Å; Y317-P329 HydrophobicContact CE2-CG 4.03Å; Y317-M334 HydrophobicContact CD2-CE 3.9Å; Y317-M334 HydrophobicContact CE2-CE 3.72Å
318D96.9Very high95.2Very high75 Ų7563.2 Ų63.240%0.40132%0.318SS..Hα-helixtrans-65.9-34.5-179.5-77.4-14.8000112.1N314 D315 V320 K321 R322N314-D318 WeakPolarHBondContact O-CB 3.5Å; N314-D318 PolarHBondContact O-N 3.08Å; D315-D318 PolarHBondContact O-N 3.46Å; D318-V320 VanDerWaalsContact C-N 3.34Å; D318-V320 PolarHBondContact O-N 3.11Å; D318-K321 PolarHBondContact O-N 3.43Å; D318-R322 WeakPolarHBondContact O-CB 3.31Å; D318-R322 WeakPolarHBondContact O-CG 3.36Å; D318-R322 PolarHBondContact O-N 2.87Å; D318-R322 PolarHBondContact O-NH1 3.44Å
319L97.4Very high95Very high29 Ų2959.6 Ų59.615%0.15230%0.303CS..Hα-helixtrans-57.6-48.4172.1-171163000110.9I207 L305 L311 D315 A316 Y317I207-L319 HydrophobicContact CG2-CD2 3.86Å; L305-L319 HydrophobicContact CD1-CD2 4.02Å; L311-L319 HydrophobicContact CD1-CD1 4.05Å; D315-L319 WeakPolarHBondContact O-CB 3.34Å; D315-L319 PolarHBondContact O-N 2.99Å; A316-L319 PolarHBondContact O-N 2.89Å; Y317-L319 VanDerWaalsContact C-N 3.31Å; Y317-L319 PolarHBondContact O-N 3.46Å
320V97.9Very high94.7Very high0 Ų057.2 Ų57.20%029%0.291CS..Hα-helixtrans-67.1-41.8176.9-175.10000110.6I207 L213 V298 T301 V302 L305 A316 Y317 D318 R322 K323 K324 I327I207-V320 HydrophobicContact CD1-CG1 4.01Å; I207-V320 HydrophobicContact CG2-CG2 4.21Å; L213-V320 HydrophobicContact CD2-CG1 3.71Å; V298-V320 HydrophobicContact CG1-CG1 4.44Å; T301-V320 HydrophobicContact CG2-CG2 4.11Å; V302-V320 HydrophobicContact CG2-CG2 3.98Å; L305-V320 HydrophobicContact CD1-CG2 3.53Å; A316-V320 WeakPolarHBondContact O-CG2 3.05Å; A316-V320 PolarHBondContact O-N 2.94Å; Y317-V320 PolarHBondContact O-N 3.36Å; D318-V320 VanDerWaalsContact C-N 3.34Å; D318-V320 PolarHBondContact O-N 3.11Å; V320-R322 PolarHBondContact O-N 3.08Å; V320-K323 PolarHBondContact O-N 3.3Å; V320-K323 VanDerWaalsContact O-N 3.11Å; V320-K324 PolarHBondContact O-N 3.47Å; V320-I327 HydrophobicContact CB-CD1 3.93Å; V320-I327 HydrophobicContact CG1-CD1 3.88Å; V320-I327 HydrophobicContact CG1-CG2 3.9Å
321K94.3Very high94Very high74 Ų7460 Ų6032%0.32230%0.301SS..Hα-helixtrans-60.8-41-178.8-169.366.4165.2-175.40112.8Y317 D318 K323 K324 S325 I327Y317-K321 HydrophobicContact CE1-CB 4.44Å; Y317-K321 HydrophobicContact CE1-CD 4.41Å; Y317-K321 WeakPolarHBondContact O-CB 3.28Å; Y317-K321 PolarHBondContact O-N 2.92Å; D318-K321 PolarHBondContact O-N 3.43Å; K321-K323 PolarHBondContact O-N 3.16Å; K321-K324 CarbonylContact O-C 3.54Å; K321-K324 PolarHBondContact O-N 3.08Å; K321-S325 WeakPolarHBondContact CE-O 3.5Å; K321-S325 PolarHBondContact NZ-O 2.66Å; K321-S325 WeakPolarHBondContact O-CA 3.01Å; K321-S325 PolarHBondContact O-N 2.93Å; K321-I327 HydrophobicContact CB-CD1 3.91Å; K321-I327 HydrophobicContact CB-CG1 4.25Å; K321-I327 HydrophobicContact CD-CD1 4.04Å; K321-I327 HydrophobicContact CD-CG1 3.44Å; K321-I327 VanDerWaalsContact CD-CG1 3.44Å; K321-I327 HydrophobicContact CG-CG1 4.47Å; K321-I327 PolarHBondContact NZ-O 2.89Å
322R95.1Very high93.6Very high183 Ų18360 Ų6069%0.69130%0.302SS*.Hα-helixtrans-61.7-31.6176.8-75.7-171.8-59.9-89.25.6112.4D318 V320D318-R322 WeakPolarHBondContact O-CB 3.31Å; D318-R322 WeakPolarHBondContact O-CG 3.36Å; D318-R322 PolarHBondContact O-N 2.87Å; D318-R322 PolarHBondContact O-NH1 3.44Å; V320-R322 PolarHBondContact O-N 3.08Å
323K94.5Very high93.6Very high86 Ų8658.6 Ų58.637%0.37429%0.292SS..Hα-helixtrans-89.8-29.9178.8-63.3-170.7164-160.20113.1V205 Q206 I207 V320 K321V205-K323 HydrophobicContact CG1-CB 3.8Å; Q206-K323 VanDerWaalsContact O-CD 3.25Å; Q206-K323 WeakPolarHBondContact O-CD 3.37Å; Q206-K323 PolarHBondContact O-NZ 3.33Å; I207-K323 HydrophobicContact CD1-CB 4.18Å; I207-K323 HydrophobicContact CD1-CD 4.21Å; I207-K323 PolarHBondContact O-NZ 3.33Å; V320-K323 PolarHBondContact O-N 3.3Å; V320-K323 VanDerWaalsContact O-N 3.11Å; K321-K323 PolarHBondContact O-N 3.16Å
324K92.3Very high93.6Very high12 Ų1260.7 Ų60.75%0.05230%0.302CS..  trans-138.698.1179.1-175.9170172.957.40110.2F203 V205 L213 G293 V320 K321 N326 I327F203-K324 HydrophobicContact CE1-CD 4.44Å; V205-K324 HydrophobicContact CG2-CB 4.42Å; V205-K324 HydrophobicContact CG2-CD 4.37Å; L213-K324 HydrophobicContact CD2-CD 3.94Å; L213-K324 HydrophobicContact CG-CD 4.46Å; G293-K324 WeakPolarHBondContact O-CE 3.36Å; V320-K324 PolarHBondContact O-N 3.47Å; K321-K324 CarbonylContact O-C 3.54Å; K321-K324 PolarHBondContact O-N 3.08Å; K324-N326 VanDerWaalsContact C-N 3.26Å; K324-N326 VanDerWaalsContact CE-OD1 3.29Å; K324-N326 WeakPolarHBondContact CE-OD1 3.48Å; K324-N326 VanDerWaalsContact CG-OD1 3.23Å; K324-N326 WeakPolarHBondContact CG-OD1 3.36Å; K324-N326 PolarHBondContact NZ-OD1 3Å; K324-N326 PolarHBondContact O-N 2.81Å; K324-I327 HydrophobicContact CB-CG2 3.98Å; K324-I327 HydrophobicContact CD-CG2 3.98Å; K324-I327 HydrophobicContact CG-CG2 3.83Å; K324-I327 WeakPolarHBondContact O-CG2 3.21Å; K324-I327 PolarHBondContact O-N 3.43Å
325S90.3Very high93.1Very high97 Ų9756.4 Ų56.468%0.67829%0.285SS*.THydrogen-bonded Turntrans-67.1-21.8-172.560.80000114.5K321K321-S325 WeakPolarHBondContact CE-O 3.5Å; K321-S325 PolarHBondContact NZ-O 2.66Å; K321-S325 WeakPolarHBondContact O-CA 3.01Å; K321-S325 PolarHBondContact O-N 2.93Å
326N86.7Confident93.1Very high82 Ų8252.9 Ų52.944%0.43927%0.266SS..THydrogen-bonded Turntrans-94.114.2-177.476-30.5000114.5K324K324-N326 VanDerWaalsContact C-N 3.26Å; K324-N326 VanDerWaalsContact CE-OD1 3.29Å; K324-N326 WeakPolarHBondContact CE-OD1 3.48Å; K324-N326 VanDerWaalsContact CG-OD1 3.23Å; K324-N326 WeakPolarHBondContact CG-OD1 3.36Å; K324-N326 PolarHBondContact NZ-OD1 3Å; K324-N326 PolarHBondContact O-N 2.81Å
327I94.8Very high93.1Very high1 Ų152.9 Ų52.91%0.00527%0.266CS..  trans-64.2141.5172.567.1168000111.4V298 Y317 V320 K321 K324V298-I327 HydrophobicContact CB-CG2 4.44Å; V298-I327 HydrophobicContact CG1-CB 3.93Å; V298-I327 HydrophobicContact CG1-CD1 4.02Å; V298-I327 HydrophobicContact CG1-CG2 4.06Å; V298-I327 HydrophobicContact CG2-CB 3.91Å; V298-I327 HydrophobicContact CG2-CG2 3.46Å; V298-I327 VanDerWaalsContact CG2-CG2 3.46Å; Y317-I327 HydrophobicContact CD1-CD1 4.48Å; Y317-I327 HydrophobicContact CD2-CD1 4Å; Y317-I327 HydrophobicContact CE1-CD1 4.19Å; Y317-I327 HydrophobicContact CE2-CD1 3.65Å; Y317-I327 HydrophobicContact CE2-CG1 4.21Å; Y317-I327 HydrophobicContact CG-CD1 4.41Å; V320-I327 HydrophobicContact CB-CD1 3.93Å; V320-I327 HydrophobicContact CG1-CD1 3.88Å; V320-I327 HydrophobicContact CG1-CG2 3.9Å; K321-I327 HydrophobicContact CB-CD1 3.91Å; K321-I327 HydrophobicContact CB-CG1 4.25Å; K321-I327 HydrophobicContact CD-CD1 4.04Å; K321-I327 HydrophobicContact CD-CG1 3.44Å; K321-I327 VanDerWaalsContact CD-CG1 3.44Å; K321-I327 HydrophobicContact CG-CG1 4.47Å; K321-I327 PolarHBondContact NZ-O 2.89Å; K324-I327 HydrophobicContact CB-CG2 3.98Å; K324-I327 HydrophobicContact CD-CG2 3.98Å; K324-I327 HydrophobicContact CG-CG2 3.83Å; K324-I327 WeakPolarHBondContact O-CG2 3.21Å; K324-I327 PolarHBondContact O-N 3.43Å
328S90Very high93Very high56 Ų5654.3 Ų54.339%0.39228%0.277SS..  trans-163.877.2178.5-176.40000110.2V294V294-S328 CarbonylContact O-C 3.57Å; V294-S328 VanDerWaalsContact O-C 3.31Å; V294-S328 PolarHBondContact O-N 3.24Å
329P92.5Very high92.9Very high11 Ų1154.8 Ų54.87%0.07128%0.279CS..  trans-49.4141.5165.2-24.835.8000111.3V298 Y317 F333 M334V298-P329 HydrophobicContact CB-CG 4.27Å; V298-P329 HydrophobicContact CG1-CG 3.68Å; Y317-P329 HydrophobicContact CE2-CG 4.03Å; P329-F333 HydrophobicContact CB-CB 4.48Å; P329-M334 HydrophobicContact CB-CE 4.21Å; P329-M334 HydrophobicContact CG-CE 4.16Å
330N91.2Very high92.9Very high31 Ų3154.4 Ų54.417%0.16628%0.276CS..  trans-63.9156.6172.876.657.7000110.7D259 S295 N332 F333 M334D259-N330 PolarHBondContact OD1-ND2 3.31Å; S295-N330 PolarHBondContact OG-N 3.46Å; S295-N330 VanDerWaalsContact OG-N 3.11Å; N330-N332 PolarHBondContact O-N 2.82Å; N330-N332 WeakPolarHBondContact OD1-CA 3.39Å; N330-N332 WeakPolarHBondContact OD1-CB 3.44Å; N330-N332 PolarHBondContact OD1-N 3.13Å; N330-F333 WeakPolarHBondContact ND2-CD2 3.4Å; N330-F333 WeakPolarHBondContact ND2-CE2 3.31Å; N330-F333 PolarHBondContact O-N 3.04Å; N330-F333 VanDerWaalsContact O-N 3.1Å; N330-F333 PolarHBondContact OD1-N 3.3Å; N330-M334 PolarHBondContact O-N 3.33Å
331F80.1Confident92.9Very high190 Ų19055.6 Ų55.683%0.83328%0.282SS*.Hα-helixtrans-59.1-32.7-174.6-71.7-75.4000114.2M334 G335F331-M334 PolarHBondContact O-N 2.97Å; F331-G335 PolarHBondContact O-N 3.46Å
332N89.4Confident93Very high49 Ų4958.5 Ų58.526%0.26229%0.291SS..Hα-helixtrans-68.7-42.6177.3167.361.1000111.1W261 Q263 N330 M334 G335 Q336W261-N332 HydrophobicContact CB-CB 4.45Å; W261-N332 WeakPolarHBondContact O-CB 3.2Å; W261-N332 PolarHBondContact O-ND2 2.91Å; W261-N332 VanDerWaalsContact O-ND2 3.16Å; W261-N332 PolarHBondContact O-OD1 3.36Å; Q263-N332 PolarHBondContact O-ND2 3.15Å; N330-N332 PolarHBondContact O-N 2.82Å; N330-N332 WeakPolarHBondContact OD1-CA 3.39Å; N330-N332 WeakPolarHBondContact OD1-CB 3.44Å; N330-N332 PolarHBondContact OD1-N 3.13Å; N332-M334 VanDerWaalsContact C-N 3.32Å; N332-M334 PolarHBondContact O-N 3.08Å; N332-G335 PolarHBondContact O-N 3.47Å; N332-Q336 PolarHBondContact ND2-NE2 3.35Å; N332-Q336 WeakPolarHBondContact O-CG 3.17Å; N332-Q336 PolarHBondContact O-N 2.88Å; N332-Q336 PolarHBondContact OD1-NE2 3.37Å
333F97.3Very high93Very high0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-66.3-33.9173.5-67.5-16.6000112.8I257 Q263 L265 R296 T299 P329 N330 G335 Q336 L337I257-F333 HydrophobicContact CG2-CE1 4.42Å; I257-F333 HydrophobicContact CG2-CZ 3.84Å; Q263-F333 HydrophobicContact CB-CE1 4.13Å; Q263-F333 HydrophobicContact CB-CZ 4.29Å; L265-F333 HydrophobicContact CB-CD1 3.85Å; L265-F333 HydrophobicContact CB-CE1 3.57Å; L265-F333 HydrophobicContact CB-CZ 4.11Å; L265-F333 HydrophobicContact CD2-CD1 4.33Å; L265-F333 HydrophobicContact CD2-CD2 4.11Å; L265-F333 HydrophobicContact CD2-CE1 4.23Å; L265-F333 HydrophobicContact CD2-CE2 4.03Å; L265-F333 HydrophobicContact CD2-CG 4.3Å; L265-F333 HydrophobicContact CD2-CZ 4.09Å; R296-F333 HydrophobicContact CB-CE2 4.5Å; R296-F333 HydrophobicContact CG-CD2 4.45Å; R296-F333 HydrophobicContact CG-CE2 3.53Å; R296-F333 HydrophobicContact CG-CZ 4.19Å; T299-F333 HydrophobicContact CG2-CB 3.8Å; T299-F333 HydrophobicContact CG2-CG 4.27Å; P329-F333 HydrophobicContact CB-CB 4.48Å; N330-F333 WeakPolarHBondContact ND2-CD2 3.4Å; N330-F333 WeakPolarHBondContact ND2-CE2 3.31Å; N330-F333 PolarHBondContact O-N 3.04Å; N330-F333 VanDerWaalsContact O-N 3.1Å; N330-F333 PolarHBondContact OD1-N 3.3Å; F333-G335 VanDerWaalsContact C-N 3.35Å; F333-Q336 PolarHBondContact O-N 3.34Å; F333-L337 WeakPolarHBondContact O-CG 3.32Å; F333-L337 PolarHBondContact O-N 3.45Å
334M96.8Very high93.1Very high47 Ų4748.5 Ų48.523%0.23226%0.258CS..Hα-helixtrans-62.6-42.3171-168.359.466.100111.8L313 Y317 P329 N330 F331 N332 Q336 L337 L338L313-M334 HydrophobicContact CD1-SD 4.29Å; L313-M334 HydrophobicContact CD2-SD 3.93Å; L313-M334 HydrophobicContact CG-SD 4.44Å; Y317-M334 HydrophobicContact CD2-CE 3.9Å; Y317-M334 HydrophobicContact CE2-CE 3.72Å; P329-M334 HydrophobicContact CB-CE 4.21Å; P329-M334 HydrophobicContact CG-CE 4.16Å; N330-M334 PolarHBondContact O-N 3.33Å; F331-M334 PolarHBondContact O-N 2.97Å; N332-M334 VanDerWaalsContact C-N 3.32Å; N332-M334 PolarHBondContact O-N 3.08Å; M334-Q336 VanDerWaalsContact C-N 3.35Å; M334-Q336 PolarHBondContact O-N 3.37Å; M334-L337 PolarHBondContact O-N 2.97Å; M334-L337 HydrophobicContact SD-CD1 4.5Å; M334-L338 PolarHBondContact O-N 3.42Å
335G85.1Confident93Very high26 Ų2654 Ų5427%0.26828%0.278SS..Hα-helixtrans-59.7-43.4172.500000112.6F331 N332 F333 L337 L338 D339F331-G335 PolarHBondContact O-N 3.46Å; N332-G335 PolarHBondContact O-N 3.47Å; F333-G335 VanDerWaalsContact C-N 3.35Å; G335-L337 VanDerWaalsContact C-N 3.33Å; G335-L337 PolarHBondContact O-N 3.32Å; G335-L338 WeakPolarHBondContact O-CB 3.41Å; G335-L338 PolarHBondContact O-N 3.29Å; G335-D339 VanDerWaalsContact O-CG 3.26Å; G335-D339 PolarHBondContact O-N 3.35Å
336Q97Very high93Very high14 Ų1453.6 Ų53.67%0.06527%0.269CS..Hα-helixtrans-64.1-35.3176.7-74.3173.234.200113.4Q263 N332 F333 M334 D339 F340Q263-Q336 PolarHBondContact O-NE2 3.47Å; N332-Q336 PolarHBondContact ND2-NE2 3.35Å; N332-Q336 WeakPolarHBondContact O-CG 3.17Å; N332-Q336 PolarHBondContact O-N 2.88Å; N332-Q336 PolarHBondContact OD1-NE2 3.37Å; F333-Q336 PolarHBondContact O-N 3.34Å; M334-Q336 VanDerWaalsContact C-N 3.35Å; M334-Q336 PolarHBondContact O-N 3.37Å; Q336-D339 PolarHBondContact O-N 2.85Å; Q336-F340 WeakPolarHBondContact O-CB 3.43Å; Q336-F340 PolarHBondContact O-N 3.31Å
337L98.1Very high93.1Very high0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-67.7-40172.9-74170.4000112F269 T299 V302 A303 M306 L313 F333 M334 G335 D339 F340 E341F269-L337 HydrophobicContact CE2-CD2 4.02Å; F269-L337 HydrophobicContact CZ-CD2 3.84Å; F269-L337 HydrophobicContact CZ-CG 4.44Å; T299-L337 HydrophobicContact CG2-CD1 3.89Å; T299-L337 HydrophobicContact CG2-CD2 4.07Å; T299-L337 HydrophobicContact CG2-CG 3.85Å; V302-L337 HydrophobicContact CB-CD1 4.21Å; V302-L337 HydrophobicContact CB-CD2 4.41Å; V302-L337 HydrophobicContact CG1-CD1 3.91Å; V302-L337 HydrophobicContact CG1-CD2 4.13Å; A303-L337 HydrophobicContact CB-CD2 3.83Å; M306-L337 HydrophobicContact SD-CD2 4.11Å; L313-L337 HydrophobicContact CD1-CB 3.67Å; L313-L337 HydrophobicContact CD1-CD1 3.88Å; L313-L337 HydrophobicContact CD1-CG 4.29Å; L313-L337 HydrophobicContact CD2-CB 4.02Å; L313-L337 HydrophobicContact CG-CB 4.49Å; F333-L337 WeakPolarHBondContact O-CG 3.32Å; F333-L337 PolarHBondContact O-N 3.45Å; M334-L337 PolarHBondContact O-N 2.97Å; M334-L337 HydrophobicContact SD-CD1 4.5Å; G335-L337 VanDerWaalsContact C-N 3.33Å; G335-L337 PolarHBondContact O-N 3.32Å; L337-D339 VanDerWaalsContact C-N 3.29Å; L337-D339 PolarHBondContact O-N 2.96Å; L337-F340 PolarHBondContact O-N 2.94Å; L337-E341 PolarHBondContact O-N 3.16Å
338L94.9Very high92.7Very high78 Ų7858.5 Ų58.541%0.40829%0.289SS..Hα-helixtrans-61.3-39.9173.3-75.1166.4000111.6L313 M334 G335 R342L313-L338 HydrophobicContact CD2-CB 4.37Å; L313-L338 HydrophobicContact CD2-CD2 3.48Å; L313-L338 VanDerWaalsContact CD2-CD2 3.48Å; L313-L338 HydrophobicContact CD2-CG 3.53Å; M334-L338 PolarHBondContact O-N 3.42Å; G335-L338 WeakPolarHBondContact O-CB 3.41Å; G335-L338 PolarHBondContact O-N 3.29Å; L338-R342 VanDerWaalsContact C-NH1 3.32Å; L338-R342 WeakPolarHBondContact O-CG 2.89Å; L338-R342 PolarHBondContact O-N 3.12Å; L338-R342 PolarHBondContact O-NH1 2.88Å; L338-R342 VanDerWaalsContact O-NH1 3.08Å
339D95.7Very high92.5Very high84 Ų8465 Ų6545%0.44931%0.305SS..Hα-helixtrans-67.1-40.8177-65.2-4.2000111.1G335 Q336 L337 R342 S343G335-D339 VanDerWaalsContact O-CG 3.26Å; G335-D339 PolarHBondContact O-N 3.35Å; Q336-D339 PolarHBondContact O-N 2.85Å; L337-D339 VanDerWaalsContact C-N 3.29Å; L337-D339 PolarHBondContact O-N 2.96Å; D339-R342 PolarHBondContact O-N 2.82Å; D339-R342 IonicContact OD1-CZ 3.2Å; D339-R342 IonicContact OD1-NH1 2.87Å; D339-R342 PolarHBondContact OD1-NH1 3.32Å; D339-R342 IonicContact OD1-NH2 2.71Å; D339-R342 PolarHBondContact OD1-NH2 3.05Å; D339-S343 PolarHBondContact O-N 3.39Å; D339-S343 VanDerWaalsContact O-N 3.08Å
340F98.2Very high92.1Very high22 Ų2274 Ų7410%0.09634%0.337CS..Hα-helixtrans-65-38.7175.7-174-120.5000112.7F269 I273 A303 M306 Q307 Q336 L337 R342 S343 L344F269-F340 HydrophobicContact CB-CE2 4.38Å; F269-F340 HydrophobicContact CB-CZ 4.38Å; F269-F340 HydrophobicContact CD2-CB 4.1Å; F269-F340 AromaticContact CD2-CD1 3.82Å; F269-F340 HydrophobicContact CD2-CD1 3.82Å; F269-F340 AromaticContact CD2-CD2 3.8Å; F269-F340 HydrophobicContact CD2-CD2 3.8Å; F269-F340 HydrophobicContact CD2-CE1 4.14Å; F269-F340 HydrophobicContact CD2-CE2 4.12Å; F269-F340 AromaticContact CD2-CG 3.63Å; F269-F340 HydrophobicContact CD2-CG 3.63Å; F269-F340 HydrophobicContact CD2-CZ 4.27Å; F269-F340 HydrophobicContact CE2-CB 3.92Å; F269-F340 HydrophobicContact CE2-CD1 4.09Å; F269-F340 HydrophobicContact CE2-CD2 4.47Å; F269-F340 AromaticContact CE2-CG 3.92Å; F269-F340 HydrophobicContact CE2-CG 3.92Å; I273-F340 HydrophobicContact CD1-CE1 4.42Å; I273-F340 HydrophobicContact CD1-CZ 4.1Å; A303-F340 HydrophobicContact CB-CD1 4.13Å; A303-F340 HydrophobicContact CB-CE1 3.97Å; M306-F340 HydrophobicContact CE-CD1 4.11Å; Q307-F340 HydrophobicContact CB-CE1 4.28Å; Q307-F340 HydrophobicContact CB-CZ 4.19Å; Q336-F340 WeakPolarHBondContact O-CB 3.43Å; Q336-F340 PolarHBondContact O-N 3.31Å; L337-F340 PolarHBondContact O-N 2.94Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.04Å; F340-S343 WeakPolarHBondContact CA-OG 3.32Å; F340-S343 PolarHBondContact O-N 3Å; F340-S343 PolarHBondContact O-OG 3.42Å; F340-L344 HydrophobicContact CD1-CD1 3.95Å; F340-L344 HydrophobicContact CD1-CG 4.41Å; F340-L344 HydrophobicContact CE1-CD1 3.62Å; F340-L344 HydrophobicContact CE1-CD2 4.37Å; F340-L344 HydrophobicContact CE1-CG 4.12Å; F340-L344 HydrophobicContact CE2-CD2 4.16Å; F340-L344 HydrophobicContact CE2-CG 4.26Å; F340-L344 HydrophobicContact CZ-CD1 4Å; F340-L344 HydrophobicContact CZ-CD2 3.89Å; F340-L344 HydrophobicContact CZ-CG 4.05Å; F340-L344 WeakPolarHBondContact O-CG 3.25Å; F340-L344 PolarHBondContact O-N 3.42Å
341E97.7Very high91.5Very high24 Ų2477.2 Ų77.211%0.11236%0.362CS..Hα-helixtrans-58.1-42.5173.3-167.7179.4-158.800111.4M306 S312 L313 L337 L344 R345M306-E341 HydrophobicContact CE-CB 3.46Å; M306-E341 VanDerWaalsContact CE-CB 3.46Å; M306-E341 HydrophobicContact CE-CG 3.96Å; S312-E341 WeakPolarHBondContact CA-OE1 3.19Å; S312-E341 VanDerWaalsContact CB-OE1 3.29Å; S312-E341 WeakPolarHBondContact CB-OE1 3.36Å; L313-E341 PolarHBondContact N-OE1 2.82Å; L313-E341 VanDerWaalsContact N-OE1 3.08Å; L337-E341 PolarHBondContact O-N 3.16Å; E341-L344 PolarHBondContact O-N 2.96Å; E341-R345 WeakPolarHBondContact O-CG 3.32Å; E341-R345 PolarHBondContact O-N 3.47Å; E341-R345 IonicContact OE1-CZ 2.6Å; E341-R345 IonicContact OE1-NH2 3.67Å; E341-R345 PolarHBondContact OE1-NH2 3.22Å; E341-R345 IonicContact OE2-NH2 2.8Å
342R95.4Very high90.7Very high135 Ų13570.8 Ų70.851%0.50935%0.349SS..Hα-helixtrans-66.1-38.7178-64.7-168.2-52.6-84.412.1111.7L338 D339 F340 L346L338-R342 VanDerWaalsContact C-NH1 3.32Å; L338-R342 WeakPolarHBondContact O-CG 2.89Å; L338-R342 PolarHBondContact O-N 3.12Å; L338-R342 PolarHBondContact O-NH1 2.88Å; L338-R342 VanDerWaalsContact O-NH1 3.08Å; D339-R342 PolarHBondContact O-N 2.82Å; D339-R342 IonicContact OD1-CZ 3.2Å; D339-R342 IonicContact OD1-NH1 2.87Å; D339-R342 PolarHBondContact OD1-NH1 3.32Å; D339-R342 IonicContact OD1-NH2 2.71Å; D339-R342 PolarHBondContact OD1-NH2 3.05Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.04Å; R342-L346 WeakPolarHBondContact O-CG 3.33Å; R342-L346 PolarHBondContact O-N 3.38Å
343S96.1Very high89.1Confident41 Ų4171.5 Ų71.529%0.28737%0.369SS..Hα-helixtrans-66.3-42.3176.763.70000112.1D339 F340 R345 L346 E347D339-S343 PolarHBondContact O-N 3.39Å; D339-S343 VanDerWaalsContact O-N 3.08Å; F340-S343 WeakPolarHBondContact CA-OG 3.32Å; F340-S343 PolarHBondContact O-N 3Å; F340-S343 PolarHBondContact O-OG 3.42Å; S343-R345 PolarHBondContact O-N 2.83Å; S343-L346 WeakPolarHBondContact O-CB 3.47Å; S343-L346 PolarHBondContact O-N 3.13Å; S343-L346 VanDerWaalsContact O-N 3.13Å; S343-E347 WeakPolarHBondContact O-CG 3.33Å; S343-E347 PolarHBondContact O-N 3.39Å
344L95.1Very high86.9Confident18 Ų1880.7 Ų80.79%0.09441%0.411CS..Hα-helixtrans-59.6-44177.2-69.7176.3000112M306 Q307 F340 E341 L346 E347 E348M306-L344 HydrophobicContact CB-CD1 4Å; M306-L344 HydrophobicContact CE-CD1 4.49Å; Q307-L344 HydrophobicContact CB-CD1 4.17Å; Q307-L344 HydrophobicContact CB-CD2 4.11Å; Q307-L344 HydrophobicContact CG-CD2 3.85Å; F340-L344 HydrophobicContact CD1-CD1 3.95Å; F340-L344 HydrophobicContact CD1-CG 4.41Å; F340-L344 HydrophobicContact CE1-CD1 3.62Å; F340-L344 HydrophobicContact CE1-CD2 4.37Å; F340-L344 HydrophobicContact CE1-CG 4.12Å; F340-L344 HydrophobicContact CE2-CD2 4.16Å; F340-L344 HydrophobicContact CE2-CG 4.26Å; F340-L344 HydrophobicContact CZ-CD1 4Å; F340-L344 HydrophobicContact CZ-CD2 3.89Å; F340-L344 HydrophobicContact CZ-CG 4.05Å; F340-L344 WeakPolarHBondContact O-CG 3.25Å; F340-L344 PolarHBondContact O-N 3.42Å; E341-L344 PolarHBondContact O-N 2.96Å; L344-L346 VanDerWaalsContact C-N 3.29Å; L344-L346 PolarHBondContact O-N 3.17Å; L344-E347 PolarHBondContact O-N 2.78Å; L344-E348 WeakPolarHBondContact O-CG 3.09Å; L344-E348 PolarHBondContact O-N 3.14Å
345R91.8Very high84.7Confident127 Ų12780.9 Ų80.948%0.47943%0.425SS..Hα-helixtrans-62.8-34176.4-68.5178.1-171.5178.15.7113E341 S343 R349E341-R345 WeakPolarHBondContact O-CG 3.32Å; E341-R345 PolarHBondContact O-N 3.47Å; E341-R345 IonicContact OE1-CZ 2.6Å; E341-R345 IonicContact OE1-NH2 3.67Å; E341-R345 PolarHBondContact OE1-NH2 3.22Å; E341-R345 IonicContact OE2-NH2 2.8Å; S343-R345 PolarHBondContact O-N 2.83Å; R345-R349 VanDerWaalsContact O-CG 3.31Å; R345-R349 WeakPolarHBondContact O-CG 3.37Å; R345-R349 PolarHBondContact O-N 2.99Å
346L89.7Confident82.8Confident90 Ų9085.6 Ų85.647%0.47145%0.454SS..Hα-helixtrans-71.1-38.5175.7-71.3172000111.6R342 S343 L344 R350R342-L346 WeakPolarHBondContact O-CG 3.33Å; R342-L346 PolarHBondContact O-N 3.38Å; S343-L346 WeakPolarHBondContact O-CB 3.47Å; S343-L346 PolarHBondContact O-N 3.13Å; S343-L346 VanDerWaalsContact O-N 3.13Å; L344-L346 VanDerWaalsContact C-N 3.29Å; L344-L346 PolarHBondContact O-N 3.17Å; L346-R350 VanDerWaalsContact O-CG 3.31Å; L346-R350 WeakPolarHBondContact O-CG 3.4Å; L346-R350 PolarHBondContact O-N 3.03Å; L346-R350 VanDerWaalsContact O-N 3.14Å
347E87.6Confident80.4Confident95 Ų9589.2 Ų89.244%0.44450%0.495SS..Hα-helixtrans-63.9-47.1174.6-72.6171-168.900111S343 L344 R349 R350 S351S343-E347 WeakPolarHBondContact O-CG 3.33Å; S343-E347 PolarHBondContact O-N 3.39Å; L344-E347 PolarHBondContact O-N 2.78Å; E347-R349 VanDerWaalsContact C-N 3.32Å; E347-R349 PolarHBondContact O-N 3.48Å; E347-R350 WeakPolarHBondContact O-CB 3.48Å; E347-R350 PolarHBondContact O-N 2.71Å; E347-S351 PolarHBondContact O-N 2.96Å; E347-S351 PolarHBondContact O-OG 3.44Å; E347-S351 VanDerWaalsContact O-OG 3.06Å
348E86.9Confident77.3Confident90 Ų9092.4 Ų92.442%0.42153%0.529SS..Hα-helixtrans-57.6-42.1176.4-73.8173.8170.400112.6H310 L344 R350 S351 G352H310-E348 IonicContact CE1-OE1 2.78Å; H310-E348 IonicContact CG-OE1 3.52Å; H310-E348 IonicContact ND1-OE1 3.68Å; H310-E348 PolarHBondContact ND1-OE1 3.46Å; L344-E348 WeakPolarHBondContact O-CG 3.09Å; L344-E348 PolarHBondContact O-N 3.14Å; E348-R350 VanDerWaalsContact C-N 3.33Å; E348-R350 PolarHBondContact O-N 2.66Å; E348-S351 PolarHBondContact O-N 2.87Å; E348-G352 PolarHBondContact O-N 2.85Å
349R85.3Confident75Confident193 Ų19395 Ų9573%0.72855%0.55SS*.Hα-helixtrans-63.9-37.1175.4-75.2173.9175-170.3-2.3112.5R345 E347 G353R345-R349 VanDerWaalsContact O-CG 3.31Å; R345-R349 WeakPolarHBondContact O-CG 3.37Å; R345-R349 PolarHBondContact O-N 2.99Å; E347-R349 VanDerWaalsContact C-N 3.32Å; E347-R349 PolarHBondContact O-N 3.48Å; R349-G353 PolarHBondContact O-N 3.28Å; R349-G353 VanDerWaalsContact O-N 3.11Å
350R84.9Confident72.7Confident199 Ų199100.1 Ų100.175%0.75157%0.571SS**Hα-helixtrans-71.2-37.2177-72.1171.2178.9-1790.7111.8L346 E347 E348L346-R350 VanDerWaalsContact O-CG 3.31Å; L346-R350 WeakPolarHBondContact O-CG 3.4Å; L346-R350 PolarHBondContact O-N 3.03Å; L346-R350 VanDerWaalsContact O-N 3.14Å; E347-R350 WeakPolarHBondContact O-CB 3.48Å; E347-R350 PolarHBondContact O-N 2.71Å; E348-R350 VanDerWaalsContact C-N 3.33Å; E348-R350 PolarHBondContact O-N 2.66Å
351S79.1Confident69.8Low100 Ų100104.1 Ų104.170%0.69960%0.602SS**Hα-helixtrans-75.2-31.5176.8-54.30000112.8E347 E348E347-S351 PolarHBondContact O-N 2.96Å; E347-S351 PolarHBondContact O-OG 3.44Å; E347-S351 VanDerWaalsContact O-OG 3.06Å; E348-S351 PolarHBondContact O-N 2.87Å
352G62.5Low67.3Low54 Ų54109.6 Ų109.656%0.55764%0.637SS**Hα-helixtrans-84.8-18.417900000115.2E348 Q354E348-G352 PolarHBondContact O-N 2.85Å; G352-Q354 VanDerWaalsContact C-N 3.28Å; G352-Q354 PolarHBondContact O-N 2.91Å
353G56.2Low64.7Low65 Ų65109.2 Ų109.267%0.6765%0.65SS**THydrogen-bonded Turntrans-77.13-177.400000116.6R349R349-G353 PolarHBondContact O-N 3.28Å; R349-G353 VanDerWaalsContact O-N 3.11Å
354Q50.3Low62Low192 Ų192112.5 Ų112.590%0.89767%0.672SS**THydrogen-bonded Turntrans-953.1176-92.5179.52.300114.4G352G352-Q354 VanDerWaalsContact C-N 3.28Å; G352-Q354 PolarHBondContact O-N 2.91Å
355G51.6Low59.8Low51 Ų51119 Ų11953%0.52671%0.707SS.*SBendtrans-120.7109.3177.600000113.2
356S44.7Very low57.5Low125 Ų125118.3 Ų118.387%0.87472%0.719SS**  trans72113.6165.269.20000118.5
357G47.1Very low55.1Low90 Ų90119.3 Ų119.393%0.92873%0.731SS**  trans-73.9133160.500000111.3
358G32.5Very low53.2Low68 Ų68119.8 Ų119.870%0.70175%0.745SS**  trans-174.8143.1172.300000109
359P46.3Very low51.2Low131 Ų131125.1 Ų125.185%0.85177%0.767SS**  trans-75.3149.2-150.930.3-34.8000114.1S361P359-S361 PolarHBondContact O-N 2.93Å
360E48Very low48.8Very low193 Ų193124.6 Ų124.690%0.90277%0.77SS**  trans-44.4124.2177.3-70.9171.3127.500113
361S37.9Very low46.7Very low105 Ų105121.7 Ų121.773%0.73478%0.775SS**  trans-105.6113.1156.3520000107.9P359 V363P359-S361 PolarHBondContact O-N 2.93Å; S361-V363 PolarHBondContact O-N 3.16Å; S361-V363 VanDerWaalsContact O-N 3.12Å
362T44Very low44.7Very low139 Ų139121.9 Ų121.985%0.85377%0.772SS**  trans-67.1100.5173.539.10000109.2
363V41.2Very low43.4Very low128 Ų128125.4 Ų125.478%0.77679%0.785SS**  trans-96.3111.8165-177.40000107.3S361 D365S361-V363 PolarHBondContact O-N 3.16Å; S361-V363 VanDerWaalsContact O-N 3.12Å; V363-D365 PolarHBondContact O-N 2.96Å
364S40Very low42.6Very low109 Ų109128.1 Ų128.176%0.76279%0.789SS**PPolyproline II helixtrans-63.9121.7176.243.90000111.4
365D47.6Very low42.1Very low155 Ų155124.5 Ų124.583%0.82979%0.785SS**PPolyproline II helixtrans-62.7142.6164.3-79.8-35.8000110.5V363V363-D365 PolarHBondContact O-N 2.96Å
366P44.5Very low41.7Very low113 Ų113129.2 Ų129.273%0.73480%0.798SS**PPolyproline II helixtrans-70.5146.8172.929.5-31.8000110.6S368P366-S368 PolarHBondContact O-N 3.22Å
367P39.8Very low41.2Very low111 Ų111126.2 Ų126.272%0.72179%0.787SS**PPolyproline II helixtrans-69.4127.8-173.927.6-32.6000111.2
368S46.8Very low40.8Very low105 Ų105128 Ų12873%0.73478%0.779SS**PPolyproline II helixtrans-72.1124.8167.550.40000110P366 F370P366-S368 PolarHBondContact O-N 3.22Å; S368-F370 PolarHBondContact O-N 3.37Å
369F44.3Very low41Very low201 Ų201134.2 Ų134.288%0.88279%0.788SS**SBendtrans-78.137.8-177.7-85.1-85.8000114.3
370F35.5Very low40.6Very low182 Ų182136.4 Ų136.480%0.79879%0.786SS**  trans-142.775175.5-137.5-90.4000111.2S368 T372S368-F370 PolarHBondContact O-N 3.37Å; F370-T372 PolarHBondContact O-N 3.41Å
371T40.5Very low40.1Very low138 Ų138135.2 Ų135.285%0.84779%0.786SS**  trans-79.3111166.532.40000109.6
372T37.9Very low40.1Very low104 Ų104137.7 Ų137.764%0.63879%0.791SS**  trans-75.4145.5153.7390000109.2F370 T374F370-T372 PolarHBondContact O-N 3.41Å; T372-T374 PolarHBondContact O-N 3.02Å
373P35.5Very low40.6Very low129 Ų129136.3 Ų136.384%0.83878%0.784SS**  trans-71.6119.1176.567.3000109.6S375P373-S375 PolarHBondContact O-N 2.8Å
374T38.6Very low41Very low121 Ų121140.7 Ų140.774%0.74281%0.811SS**  trans-76.4115.5167.5-26.60000107.9T372 D376T372-T374 PolarHBondContact O-N 3.02Å; T374-D376 PolarHBondContact O-N 3.3Å
375S38.8Very low41Very low116 Ų116142.3 Ų142.381%0.81181%0.813SS**  trans-8188170.2570000109.3P373P373-S375 PolarHBondContact O-N 2.8Å
376D43.4Very low40.7Very low150 Ų150141.6 Ų141.680%0.80281%0.813SS**  trans-94.493.1160.8-81.7-28.7000108.2T374T374-D376 PolarHBondContact O-N 3.3Å
377G34.6Very low40.5Very low62 Ų62143.2 Ų143.264%0.63982%0.817SS**  trans-130.179.6172.300000108.8F379G377-F379 PolarHBondContact O-N 3.44Å
378V38.4Very low40.5Very low128 Ų128145.1 Ų145.178%0.77682%0.823SS**  trans-62.2115169.6174.80000107.9E380V378-E380 HydrophobicContact CG1-CG 4.31Å
379F36.9Very low40.1Very low199 Ų199147.6 Ų147.687%0.87383%0.828SS**  trans-86.7103.4163.1-87.7-89000107.9G377G377-F379 PolarHBondContact O-N 3.44Å
380E38.2Very low39.8Very low176 Ų176144 Ų14482%0.82283%0.825SS**  trans-71.9124.9158.9-80.2179149.700108.5V378V378-E380 HydrophobicContact CG1-CG 4.31Å
381L38.7Very low40.1Very low169 Ų169141.3 Ų141.389%0.88583%0.826SS**  trans-90.4111.6167.7-79161.8000107.5
382D37Very low40.1Very low157 Ų157141.5 Ų141.584%0.8483%0.825SS**  trans-80140.2165.9-97.6-24.3000110.6
383P55Low40.3Very low109 Ų109144.7 Ų144.771%0.70884%0.84SS**  trans-93.1124.917934.4-27.7000111
384T48.6Very low40.7Very low220 Ų220146.1 Ų146.1100%1.3584%0.841SS**  trans-168.10138.641.40000110.1

Retrieved 384 of 384 residues in 187.2 ms (Link to these results)

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