A0A087XWZ0_POEFO Loading...

Dual specificity protein phosphatase 2

Dephosphorylates both phosphorylated Thr and Tyr residues in MAPK1, and dephosphorylation of phosphotyrosine is slightly faster than that of phosphothreonine. Can dephosphorylate MAPK1.

AlphaFold DB , UniProt , Accession A0A087XWZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1M33Very low71.8Confident249 Ų24983.8 Ų83.8100%1.22751%0.505SS*.  0104.80-67.4-178.7-175.400106.5S3M1-S3 PolarHBondContact O-N 3.4Å
2A36.3Very low73.8Confident94 Ų9479.4 Ų79.478%0.77748%0.477SS*.  trans-71.5116.5178.500000107.8S4A2-S4 PolarHBondContact O-N 3.29Å; A2-S4 VanDerWaalsContact O-N 3.09Å
3S42.3Very low75.6Confident113 Ų11382.2 Ų82.279%0.7949%0.488SS*.  trans-59.2109.4171.5156.50000107.9M1 S5M1-S3 PolarHBondContact O-N 3.4Å; S3-S5 PolarHBondContact O-N 2.8Å; S3-S5 VanDerWaalsContact O-N 3.13Å
4S52.8Low77.1Confident97 Ų9783.1 Ų83.168%0.67848%0.484SS*.  trans-57.7116.4168.151.40000107.9A2 V6A2-S4 PolarHBondContact O-N 3.29Å; A2-S4 VanDerWaalsContact O-N 3.09Å; S4-V6 PolarHBondContact O-N 2.69Å
5S62.8Low78.3Confident27 Ų2777.5 Ų77.519%0.18945%0.452CS..  trans-62.8104.717647.70000108.9S3S3-S5 PolarHBondContact O-N 2.8Å; S3-S5 VanDerWaalsContact O-N 3.13Å
6V83.6Confident79.4Confident106 Ų10673.3 Ų73.364%0.64243%0.427SS*.PPolyproline II helixtrans-68.9133.1176.3177.90000108.4S4 L8S4-V6 PolarHBondContact O-N 2.69Å; V6-L8 PolarHBondContact O-N 3.15Å
7T91.5Very high80.2Confident15 Ų1577.1 Ų77.19%0.09244%0.44CS..PPolyproline II helixtrans-71.6127.3171.8-600000109.2L101 L114 Q118 I125 F127T7-L101 HydrophobicContact CG2-CD1 3.94Å; T7-L101 HydrophobicContact CG2-CD2 4.07Å; T7-L114 HydrophobicContact CG2-CD2 3.73Å; T7-Q118 PolarHBondContact OG1-NE2 2.64Å; T7-I125 WeakPolarHBondContact CA-O 3.42Å; T7-I125 HydrophobicContact CG2-CG2 4.22Å; T7-F127 HydrophobicContact CG2-CB 4.07Å
8L95.8Very high81Confident84 Ų8473.9 Ų73.944%0.4442%0.421SS..EExtended strand (participates in β ladder)trans-93.8144.8175.4-59.7176000110.2V6 Q124 I125 C126 F127V6-L8 PolarHBondContact O-N 3.15Å; L8-Q124 HydrophobicContact CD1-CG 4.19Å; L8-I125 PolarHBondContact N-O 3.35Å; L8-C126 CarbonylContact O-C 3.58Å; L8-C126 WeakPolarHBondContact O-CA 3.18Å; L8-F127 PolarHBondContact O-N 3.47Å
9E96.9Very high81.5Confident75 Ų7572.6 Ų72.635%0.3541%0.412SS..EExtended strand (participates in β ladder)trans-88.7137.7167.2-64.8-174.5149.600109.3S100 L101 F127 Q129E9-S100 VanDerWaalsContact OE1-CA 3.27Å; E9-S100 WeakPolarHBondContact OE1-CA 3.32Å; E9-S100 VanDerWaalsContact OE1-CB 3.27Å; E9-S100 WeakPolarHBondContact OE1-CB 3.37Å; E9-L101 HydrophobicContact CG-CD1 3.69Å; E9-L101 HydrophobicContact CG-CG 3.81Å; E9-L101 WeakPolarHBondContact OE1-CB 3.31Å; E9-L101 PolarHBondContact OE1-N 2.78Å; E9-F127 WeakPolarHBondContact CA-O 3.42Å; E9-Q129 HydrophobicContact CB-CG 3.92Å; E9-Q129 PolarHBondContact OE2-NE2 3.13Å
10I97.6Very high81.9Confident10 Ų1077.3 Ų77.35%0.05142%0.423CS..EExtended strand (participates in β ladder)trans-127.2147.6176.363.7169.7000110.4E14 L15 I18 V92 C126 F127 L128 Q129I10-E14 WeakPolarHBondContact CA-OE2 3.35Å; I10-E14 HydrophobicContact CB-CB 4.16Å; I10-L15 HydrophobicContact CD1-CB 4.08Å; I10-L15 HydrophobicContact CD1-CD1 4.33Å; I10-I18 HydrophobicContact CD1-CD1 3.85Å; I10-V92 HydrophobicContact CD1-CG1 3.9Å; I10-V92 HydrophobicContact CD1-CG2 4.06Å; I10-C126 HydrophobicContact CD1-CB 3.91Å; I10-C126 HydrophobicContact CG1-CB 4.1Å; I10-C126 HydrophobicContact CG2-CB 3.91Å; I10-F127 PolarHBondContact N-O 3.31Å; I10-L128 HydrophobicContact CG1-CD1 4.31Å; I10-Q129 PolarHBondContact O-N 3.15Å
11T97.9Very high82.2Confident52 Ų5275 Ų7532%0.31941%0.412SS..  trans-82.7165.1174.363.70000111.5N13 E14 L15T11-N13 VanDerWaalsContact C-N 3.26Å; T11-N13 PolarHBondContact O-N 2.92Å; T11-E14 WeakPolarHBondContact CB-OE2 3.35Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.47Å; T11-E14 PolarHBondContact N-OE2 3.41Å; T11-E14 PolarHBondContact O-N 3.09Å; T11-E14 WeakPolarHBondContact OG1-CG 3.49Å; T11-E14 PolarHBondContact OG1-N 3.43Å; T11-E14 PolarHBondContact OG1-OE2 3.45Å; T11-L15 PolarHBondContact O-N 3.14Å
12N95.6Very high84.6Confident31 Ų3166 Ų6617%0.16637%0.371CS..Hα-helixtrans-56.2-40.1174.6-63.7-25.1000112.5E14 L15 V16 L128 Q129 G134 F135 F139N12-E14 PolarHBondContact O-N 3.37Å; N12-L15 PolarHBondContact O-N 2.85Å; N12-V16 WeakPolarHBondContact O-CG2 3.45Å; N12-V16 PolarHBondContact O-N 3.4Å; N12-L128 WeakPolarHBondContact OD1-CD1 3.33Å; N12-Q129 PolarHBondContact OD1-O 3.49Å; N12-G134 PolarHBondContact ND2-O 3.36Å; N12-F135 HydrophobicContact CB-CD2 3.92Å; N12-F139 HydrophobicContact CB-CD2 4.03Å; N12-F139 HydrophobicContact CB-CE2 3.58Å
13N96.3Very high86.7Confident116 Ų11670 Ų7062%0.6237%0.367SS*.Hα-helixtrans-63.6-41178.6-73.8-49.4000112.5T11 V16 H17 F139T11-N13 VanDerWaalsContact C-N 3.26Å; T11-N13 PolarHBondContact O-N 2.92Å; N13-V16 PolarHBondContact O-N 2.85Å; N13-H17 PolarHBondContact O-N 3.24Å; N13-F139 WeakPolarHBondContact OD1-CZ 3.17Å
14E96.6Very high88.4Confident94 Ų9471.1 Ų71.144%0.43936%0.364SS..Hα-helixtrans-66.4-39.3176.2-71.5164.9131.700111I10 T11 N12 V16 H17 I18I10-E14 WeakPolarHBondContact CA-OE2 3.35Å; I10-E14 HydrophobicContact CB-CB 4.16Å; T11-E14 WeakPolarHBondContact CB-OE2 3.35Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.47Å; T11-E14 PolarHBondContact N-OE2 3.41Å; T11-E14 PolarHBondContact O-N 3.09Å; T11-E14 WeakPolarHBondContact OG1-CG 3.49Å; T11-E14 PolarHBondContact OG1-N 3.43Å; T11-E14 PolarHBondContact OG1-OE2 3.45Å; N12-E14 PolarHBondContact O-N 3.37Å; E14-V16 PolarHBondContact O-N 2.89Å; E14-H17 WeakPolarHBondContact O-CB 3.5Å; E14-H17 PolarHBondContact O-N 3.05Å; E14-I18 VanDerWaalsContact O-CG1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.41Å; E14-I18 PolarHBondContact O-N 3.09Å
15L96.1Very high89.6Confident0 Ų072.9 Ų72.90%036%0.361CS..Hα-helixtrans-62.5-40.8172.9-178.855.8000112.1I10 T11 N12 H17 I18 L19 V33 I47 V92 L128 F135I10-L15 HydrophobicContact CD1-CB 4.08Å; I10-L15 HydrophobicContact CD1-CD1 4.33Å; T11-L15 PolarHBondContact O-N 3.14Å; N12-L15 PolarHBondContact O-N 2.85Å; L15-H17 VanDerWaalsContact C-N 3.3Å; L15-H17 PolarHBondContact O-N 3.42Å; L15-I18 WeakPolarHBondContact O-CB 3.24Å; L15-I18 PolarHBondContact O-N 2.95Å; L15-L19 HydrophobicContact CD1-CD1 4.22Å; L15-L19 HydrophobicContact CD1-CD2 4.41Å; L15-L19 HydrophobicContact CD1-CG 3.97Å; L15-L19 HydrophobicContact CG-CD1 4Å; L15-L19 HydrophobicContact CG-CG 4.24Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.24Å; L15-L19 PolarHBondContact O-N 3.06Å; L15-V33 HydrophobicContact CD1-CG2 4.29Å; L15-I47 HydrophobicContact CD2-CD1 3.95Å; L15-V92 HydrophobicContact CD1-CB 4.37Å; L15-V92 HydrophobicContact CD1-CG1 4.02Å; L15-V92 HydrophobicContact CD1-CG2 3.99Å; L15-V92 HydrophobicContact CD2-CG1 4.45Å; L15-L128 HydrophobicContact CB-CD1 3.93Å; L15-L128 HydrophobicContact CD2-CD1 3.72Å; L15-L128 HydrophobicContact CD2-CD2 3.56Å; L15-L128 HydrophobicContact CD2-CG 4.18Å; L15-L128 HydrophobicContact CG-CD1 4.48Å; L15-F135 HydrophobicContact CB-CD2 4.5Å; L15-F135 HydrophobicContact CB-CE2 4.01Å; L15-F135 HydrophobicContact CD2-CD2 3.82Å; L15-F135 HydrophobicContact CD2-CE2 3.67Å; L15-F135 HydrophobicContact CD2-CZ 4.28Å; L15-F135 HydrophobicContact CG-CD2 4.41Å; L15-F135 HydrophobicContact CG-CE2 3.82Å; L15-F135 HydrophobicContact CG-CZ 4.4Å
16V95.4Very high90.2Very high9 Ų973.5 Ų73.56%0.05536%0.36CS..Hα-helixtrans-60.1-42.2174.1172.10000111.5N12 N13 E14 I18 L19 R20 F135 F139 L142N12-V16 WeakPolarHBondContact O-CG2 3.45Å; N12-V16 PolarHBondContact O-N 3.4Å; N13-V16 PolarHBondContact O-N 2.85Å; E14-V16 PolarHBondContact O-N 2.89Å; V16-I18 VanDerWaalsContact C-N 3.34Å; V16-L19 PolarHBondContact O-N 2.87Å; V16-R20 HydrophobicContact CG1-CG 4.43Å; V16-R20 WeakPolarHBondContact O-CB 3.31Å; V16-R20 WeakPolarHBondContact O-CG 3.37Å; V16-R20 PolarHBondContact O-N 3.11Å; V16-F135 HydrophobicContact CG2-CE2 3.89Å; V16-F135 HydrophobicContact CG2-CZ 4.06Å; V16-F139 HydrophobicContact CG2-CB 4.4Å; V16-F139 HydrophobicContact CG2-CD1 3.66Å; V16-F139 HydrophobicContact CG2-CD2 3.78Å; V16-F139 HydrophobicContact CG2-CE1 3.79Å; V16-F139 HydrophobicContact CG2-CE2 3.92Å; V16-F139 HydrophobicContact CG2-CG 3.65Å; V16-F139 HydrophobicContact CG2-CZ 3.92Å; V16-L142 HydrophobicContact CB-CD1 4.23Å; V16-L142 HydrophobicContact CG1-CD1 3.93Å; V16-L142 HydrophobicContact CG2-CD1 3.6Å
17H93.9Very high89.6Confident138 Ų13875.8 Ų75.864%0.63937%0.374SS*.Hα-helixtrans-61.9-43.7175.9-174.564.6000111.6N13 E14 L15 R20 T21N13-H17 PolarHBondContact O-N 3.24Å; E14-H17 WeakPolarHBondContact O-CB 3.5Å; E14-H17 PolarHBondContact O-N 3.05Å; L15-H17 VanDerWaalsContact C-N 3.3Å; L15-H17 PolarHBondContact O-N 3.42Å; H17-R20 PolarHBondContact O-N 2.91Å; H17-T21 PolarHBondContact O-N 2.83Å; H17-T21 VanDerWaalsContact O-N 3.1Å; H17-T21 PolarHBondContact O-OG1 3.04Å
18I93.1Very high88.9Confident20 Ų2076.3 Ų76.310%0.10338%0.378CS..Hα-helixtrans-58.9-53174.3-69.7162.5000110.4I10 E14 L15 V16 R20 T21 Y26 C31 P90I10-I18 HydrophobicContact CD1-CD1 3.85Å; E14-I18 VanDerWaalsContact O-CG1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.41Å; E14-I18 PolarHBondContact O-N 3.09Å; L15-I18 WeakPolarHBondContact O-CB 3.24Å; L15-I18 PolarHBondContact O-N 2.95Å; V16-I18 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.38Å; I18-T21 WeakPolarHBondContact O-CB 3.35Å; I18-T21 PolarHBondContact O-N 2.98Å; I18-T21 VanDerWaalsContact O-N 3.14Å; I18-Y26 PolarHBondContact O-OH 2.86Å; I18-C31 HydrophobicContact CG2-CB 3.51Å; I18-P90 HydrophobicContact CD1-CG 3.83Å; I18-P90 HydrophobicContact CG1-CG 4.14Å; I18-P90 HydrophobicContact CG2-CG 3.85Å
19L90.8Very high88.1Confident49 Ų4974.6 Ų74.626%0.25737%0.373SS..Hα-helixtrans-63.3-27.9-176.5-68.8174.1000113.8L15 V16 V33 I47 F135L15-L19 HydrophobicContact CD1-CD1 4.22Å; L15-L19 HydrophobicContact CD1-CD2 4.41Å; L15-L19 HydrophobicContact CD1-CG 3.97Å; L15-L19 HydrophobicContact CG-CD1 4Å; L15-L19 HydrophobicContact CG-CG 4.24Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.24Å; L15-L19 PolarHBondContact O-N 3.06Å; V16-L19 PolarHBondContact O-N 2.87Å; L19-V33 HydrophobicContact CD2-CG2 3.88Å; L19-I47 HydrophobicContact CD1-CG2 3.7Å; L19-F135 HydrophobicContact CD1-CZ 3.97Å
20R90.6Very high87.6Confident167 Ų16771.1 Ų71.163%0.6336%0.357SS*.Hα-helixtrans-90.3-12.8179.4-70.4-179.9176.3169.40.6113.7V16 H17 I18 P22V16-R20 HydrophobicContact CG1-CG 4.43Å; V16-R20 WeakPolarHBondContact O-CB 3.31Å; V16-R20 WeakPolarHBondContact O-CG 3.37Å; V16-R20 PolarHBondContact O-N 3.11Å; H17-R20 PolarHBondContact O-N 2.91Å; I18-R20 PolarHBondContact O-N 3.38Å; R20-P22 WeakPolarHBondContact O-CD 3.34Å
21T88.1Confident87.3Confident30 Ų3072.2 Ų72.218%0.18437%0.365CS..SBendtrans-65.5123.1178-60.70000109.5H17 I18 Q25 Y26H17-T21 PolarHBondContact O-N 2.83Å; H17-T21 VanDerWaalsContact O-N 3.1Å; H17-T21 PolarHBondContact O-OG1 3.04Å; I18-T21 WeakPolarHBondContact O-CB 3.35Å; I18-T21 PolarHBondContact O-N 2.98Å; I18-T21 VanDerWaalsContact O-N 3.14Å; T21-Q25 HydrophobicContact CG2-CB 3.88Å; T21-Y26 WeakPolarHBondContact CB-OH 3.42Å; T21-Y26 HydrophobicContact CG2-CD2 4.02Å; T21-Y26 HydrophobicContact CG2-CE2 3.45Å; T21-Y26 VanDerWaalsContact CG2-CE2 3.45Å
22P83.9Confident87.1Confident58 Ų5870.2 Ų70.238%0.37735%0.353SS..  trans-58.2144.2176-27.837.7000112.8R20 D24 Q25 Y26R20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-D24 WeakPolarHBondContact CB-OD1 3.49Å; P22-D24 PolarHBondContact O-N 3.43Å; P22-Q25 HydrophobicContact CB-CG 4.31Å; P22-Q25 WeakPolarHBondContact O-CB 3.4Å; P22-Q25 PolarHBondContact O-N 3.46Å; P22-Y26 WeakPolarHBondContact O-CD2 3.4Å
23R78.8Confident87.2Confident179 Ų17968.9 Ų68.968%0.67535%0.346SS*.G310 helixtrans-61.3-29.6-174.3-70.7-170.4-177.8-179.12.4113.8Q25 Y26R23-Q25 PolarHBondContact O-N 3.39Å; R23-Y26 PolarHBondContact O-N 3.18Å
24D79.4Confident87.1Confident136 Ų13663.4 Ų63.473%0.72732%0.317SS*.G310 helixtrans-69.6-16.6176.958.6-54.6000113.8P22P22-D24 WeakPolarHBondContact CB-OD1 3.49Å; P22-D24 PolarHBondContact O-N 3.43Å
25Q77Confident87Confident134 Ų13459 Ų5963%0.62630%0.296SS*.G310 helixtrans-87.8-7.8176.4-61.4-177.217.400112.9T21 P22 R23T21-Q25 HydrophobicContact CG2-CB 3.88Å; P22-Q25 HydrophobicContact CB-CG 4.31Å; P22-Q25 WeakPolarHBondContact O-CB 3.4Å; P22-Q25 PolarHBondContact O-N 3.46Å; R23-Q25 PolarHBondContact O-N 3.39Å
26Y75.9Confident86.8Confident41 Ų4159.4 Ų59.416%0.16130%0.299CS..SBendtrans-86.4140.9172.9-71.8-84.3000110.8I18 T21 P22 R23 S28 S89I18-Y26 PolarHBondContact O-OH 2.86Å; T21-Y26 WeakPolarHBondContact CB-OH 3.42Å; T21-Y26 HydrophobicContact CG2-CD2 4.02Å; T21-Y26 HydrophobicContact CG2-CE2 3.45Å; T21-Y26 VanDerWaalsContact CG2-CE2 3.45Å; P22-Y26 WeakPolarHBondContact O-CD2 3.4Å; R23-Y26 PolarHBondContact O-N 3.18Å; Y26-S28 WeakPolarHBondContact CB-O 3.08Å; Y26-S28 PolarHBondContact O-N 3.32Å; Y26-S89 WeakPolarHBondContact CD1-O 3.47Å; Y26-S89 VanDerWaalsContact CE1-O 3.31Å; Y26-S89 WeakPolarHBondContact CE1-O 3.19Å
27T69.7Low86.3Confident154 Ų15459.3 Ų59.395%0.94530%0.298SS*.SBendtrans-70-12.1166.453.70000112.4
28S77.8Confident85.4Confident25 Ų2556.1 Ų56.118%0.17529%0.29CS..SBendtrans-114.2-175.1177.772.80000110.2Y26 G30 E87 S89Y26-S28 WeakPolarHBondContact CB-O 3.08Å; Y26-S28 PolarHBondContact O-N 3.32Å; S28-G30 PolarHBondContact O-N 2.68Å; S28-G30 VanDerWaalsContact O-N 3.1Å; S28-G30 PolarHBondContact OG-N 2.97Å; S28-G30 PolarHBondContact OG-O 2.92Å; S28-E87 WeakPolarHBondContact CB-O 3.28Å; S28-S89 PolarHBondContact OG-N 3.27Å; S28-S89 PolarHBondContact OG-O 3.47Å
29S79Confident84.2Confident49 Ų4959 Ų5934%0.34330%0.302SS..SBendtrans-72.17.3174.8-56.20000114.2E87S29-E87 WeakPolarHBondContact CA-O 3.48Å; S29-E87 WeakPolarHBondContact CB-O 3.12Å; S29-E87 PolarHBondContact N-O 3.18Å; S29-E87 PolarHBondContact OG-O 2.8Å
30G86.7Confident82.7Confident1 Ų161.3 Ų61.31%0.0131%0.313CS..  trans114.8-167.4178.800000113.5S28 F88 S89S28-G30 PolarHBondContact O-N 2.68Å; S28-G30 VanDerWaalsContact O-N 3.1Å; S28-G30 PolarHBondContact OG-N 2.97Å; S28-G30 PolarHBondContact OG-O 2.92Å; G30-F88 CarbonylContact O-C 3.24Å; G30-F88 WeakPolarHBondContact O-CA 3.46Å; G30-S89 PolarHBondContact O-N 2.92Å
31C90.9Very high81.5Confident33 Ų3356.7 Ų56.722%0.22330%0.301CS..  trans-87.7160.3172.271.50000112.2I18 P90I18-C31 HydrophobicContact CG2-CB 3.51Å; C31-P90 VanDerWaalsContact CA-O 3.29Å; C31-P90 WeakPolarHBondContact CA-O 3.44Å; C31-P90 HydrophobicContact CB-CG 4.32Å; C31-P90 WeakPolarHBondContact CB-O 3.29Å
32V94.1Very high80.9Confident11 Ų1156.3 Ų56.37%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-136.8137163.262.60000109.9L34 R51 L83 F88 P90 L91 V92V32-L34 HydrophobicContact CG2-CD2 4.33Å; V32-R51 HydrophobicContact CG2-CG 4.26Å; V32-L83 HydrophobicContact CG1-CD2 3.93Å; V32-F88 HydrophobicContact CB-CB 4.46Å; V32-F88 HydrophobicContact CB-CD1 3.97Å; V32-F88 HydrophobicContact CB-CE1 4.23Å; V32-F88 HydrophobicContact CB-CG 4.11Å; V32-F88 HydrophobicContact CG1-CB 3.78Å; V32-F88 HydrophobicContact CG1-CD1 4.13Å; V32-F88 HydrophobicContact CG1-CD2 4.03Å; V32-F88 HydrophobicContact CG1-CG 3.75Å; V32-P90 PolarHBondContact N-O 3.24Å; V32-L91 HydrophobicContact CG1-CD2 3.22Å; V32-V92 PolarHBondContact O-N 3.45Å
33V96.5Very high80Confident3 Ų354.8 Ų54.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-100.5124.9176-176.20000108.5L15 L19 I47 S50 R51 V92 V94L15-V33 HydrophobicContact CD1-CG2 4.29Å; L19-V33 HydrophobicContact CD2-CG2 3.88Å; V33-I47 HydrophobicContact CG1-CD1 4.47Å; V33-S50 CarbonylContact O-C 3.57Å; V33-S50 WeakPolarHBondContact O-CA 3.22Å; V33-R51 PolarHBondContact O-N 3.23Å; V33-V92 CarbonylContact C-O 3.59Å; V33-V92 WeakPolarHBondContact CA-O 3.44Å; V33-V92 HydrophobicContact CG2-CB 4.27Å; V33-V94 HydrophobicContact CG1-CB 4.48Å; V33-V94 HydrophobicContact CG1-CG2 3.59Å
34L95.6Very high79.4Confident1 Ų150.1 Ų50.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-108.6109.4177.7-62.6177.4000108.5V32 R51 V53 I74 V92 V93 V94 L113 L117V32-L34 HydrophobicContact CG2-CD2 4.33Å; L34-R51 CarbonylContact C-O 3.44Å; L34-R51 WeakPolarHBondContact CA-O 3.4Å; L34-R51 HydrophobicContact CD2-CB 4.19Å; L34-V53 HydrophobicContact CB-CG2 3.81Å; L34-V53 HydrophobicContact CD2-CG2 4.38Å; L34-I74 HydrophobicContact CD1-CD1 4.24Å; L34-I74 HydrophobicContact CD2-CD1 4.36Å; L34-V92 PolarHBondContact N-O 3.29Å; L34-V93 WeakPolarHBondContact O-CA 3.37Å; L34-V94 PolarHBondContact O-N 3.11Å; L34-L113 HydrophobicContact CB-CD2 4Å; L34-L113 HydrophobicContact CD1-CD1 4.5Å; L34-L113 HydrophobicContact CD1-CD2 4.16Å; L34-L117 HydrophobicContact CD1-CD1 4.01Å; L34-L117 HydrophobicContact CD1-CD2 4.44Å
35D93.3Very high79Confident0 Ų044.9 Ų44.90%025%0.252CS..EExtended strand (participates in β ladder)trans-94118.1-177.4-169.7-37.3000109.9R37 F42 R51 N52 V53D35-R37 WeakPolarHBondContact OD1-CB 3.37Å; D35-R37 VanDerWaalsContact OD1-CG 3.24Å; D35-R37 WeakPolarHBondContact OD1-CG 3.41Å; D35-R37 PolarHBondContact OD1-N 2.94Å; D35-R37 IonicContact OD1-NE 2.71Å; D35-R37 PolarHBondContact OD1-NE 3.23Å; D35-R37 IonicContact OD2-CZ 3.12Å; D35-R37 IonicContact OD2-NE 3.16Å; D35-R37 PolarHBondContact OD2-NE 3.4Å; D35-R37 IonicContact OD2-NH2 3.99Å; D35-R37 PolarHBondContact OD2-NH2 3.44Å; D35-F42 HydrophobicContact CB-CD2 3.58Å; D35-F42 HydrophobicContact CB-CE2 3.68Å; D35-F42 WeakPolarHBondContact OD2-CD2 3.43Å; D35-R51 PolarHBondContact N-O 2.84Å; D35-N52 WeakPolarHBondContact O-CA 3.39Å; D35-N52 PolarHBondContact O-ND2 2.94Å; D35-V53 PolarHBondContact O-N 3.44Å
36C91.7Very high79.4Confident9 Ų940 Ų406%0.06123%0.229CC..  trans-89.7-0.7-177-72.10000114.1V94 V109 A110 L113C36-V94 WeakPolarHBondContact CB-O 3.27Å; C36-V94 PolarHBondContact N-O 3.05Å; C36-V109 HydrophobicContact CB-CB 4.02Å; C36-V109 HydrophobicContact CB-CG1 4.05Å; C36-A110 HydrophobicContact CB-CB 4.31Å; C36-L113 VanDerWaalsContact SG-CD2 3.5Å
37R86.7Confident80.2Confident7 Ų738 Ų383%0.02622%0.222CC..SBendtrans-66.4157.6178-64.4-177.4-63.9142.53.8111.1D35 F39 D41 T45 N52 E96 F132D35-R37 WeakPolarHBondContact OD1-CB 3.37Å; D35-R37 VanDerWaalsContact OD1-CG 3.24Å; D35-R37 WeakPolarHBondContact OD1-CG 3.41Å; D35-R37 PolarHBondContact OD1-N 2.94Å; D35-R37 IonicContact OD1-NE 2.71Å; D35-R37 PolarHBondContact OD1-NE 3.23Å; D35-R37 IonicContact OD2-CZ 3.12Å; D35-R37 IonicContact OD2-NE 3.16Å; D35-R37 PolarHBondContact OD2-NE 3.4Å; D35-R37 IonicContact OD2-NH2 3.99Å; D35-R37 PolarHBondContact OD2-NH2 3.44Å; R37-F39 PolarHBondContact O-N 3.47Å; R37-D41 PolarHBondContact NH1-O 3.09Å; R37-T45 PolarHBondContact NH2-O 2.76Å; R37-N52 PolarHBondContact O-ND2 3.37Å; R37-E96 VanDerWaalsContact CD-CD 3.43Å; R37-E96 WeakPolarHBondContact CD-OE2 3.45Å; R37-E96 HydrophobicContact CG-CB 4.24Å; R37-E96 WeakPolarHBondContact CG-OE2 3.39Å; R37-E96 IonicContact NH1-OE1 2.74Å; R37-F132 VanDerWaalsContact NH1-CE1 3.25Å
38P73.4Confident80.9Confident72 Ų7233.3 Ų33.347%0.46819%0.194SC..  trans-51.5139.4172.2-24.935.2000111.2L40 D41 F42P38-L40 PolarHBondContact O-N 3.18Å; P38-D41 WeakPolarHBondContact CB-OD2 3.32Å; P38-D41 WeakPolarHBondContact CD-OD2 3.38Å; P38-D41 WeakPolarHBondContact CG-OD2 3.41Å; P38-D41 PolarHBondContact O-N 3.48Å; P38-F42 PolarHBondContact O-N 3.4Å
39F68.5Low81.1Confident81 Ų8138.6 Ų38.636%0.35522%0.216SC..Hα-helixtrans-50.2-36.8-177.1174.4-85000113.1R37 F42 S43 K288R37-F39 PolarHBondContact O-N 3.47Å; F39-F42 PolarHBondContact O-N 3.35Å; F39-S43 VanDerWaalsContact O-CB 3.27Å; F39-S43 WeakPolarHBondContact O-CB 3.34Å; F39-S43 PolarHBondContact O-N 2.79Å; F39-S43 PolarHBondContact O-OG 3.2Å; F39-K288 HydrophobicContact CZ-CD 4.45Å
40L59.4Low81.6Confident96 Ų9636.6 Ų36.650%0.50320%0.203SC..Hα-helixtrans-64.1-47.3179.9-66.7177.3000111.6P38 F42 S43 T44P38-L40 PolarHBondContact O-N 3.18Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.44Å; L40-S43 PolarHBondContact O-N 3.03Å; L40-S43 PolarHBondContact O-OG 3.02Å; L40-T44 PolarHBondContact O-N 3.27Å
41D65.8Low81.6Confident71 Ų7142.6 Ų42.638%0.3823%0.225SC..Hα-helixtrans-66.9-35.9179.5-55.8-36.1000111.2R37 P38 T44 T45R37-D41 PolarHBondContact NH1-O 3.09Å; P38-D41 WeakPolarHBondContact CB-OD2 3.32Å; P38-D41 WeakPolarHBondContact CD-OD2 3.38Å; P38-D41 WeakPolarHBondContact CG-OD2 3.41Å; P38-D41 PolarHBondContact O-N 3.48Å; D41-T44 PolarHBondContact O-OG1 3.16Å; D41-T45 PolarHBondContact O-N 3.24Å
42F74.2Confident81.3Confident21 Ų2143 Ų439%0.09222%0.224CC..Hα-helixtrans-63.4-44.1170.5177.3-88.4000112.6D35 P38 F39 L40 T44 T45 H46 S50 N52D35-F42 HydrophobicContact CB-CD2 3.58Å; D35-F42 HydrophobicContact CB-CE2 3.68Å; D35-F42 WeakPolarHBondContact OD2-CD2 3.43Å; P38-F42 PolarHBondContact O-N 3.4Å; F39-F42 PolarHBondContact O-N 3.35Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.44Å; F42-T44 VanDerWaalsContact C-N 3.27Å; F42-T44 PolarHBondContact O-N 3.06Å; F42-T45 CarbonylContact C-O 3.57Å; F42-T45 CarbonylContact O-C 3.55Å; F42-T45 PolarHBondContact O-N 3.27Å; F42-T45 VanDerWaalsContact O-O 3.06Å; F42-H46 HydrophobicContact CD2-CB 3.53Å; F42-H46 HydrophobicContact CE1-CB 4.49Å; F42-H46 HydrophobicContact CE2-CB 3.51Å; F42-H46 AromaticContact CE2-CD2 3.96Å; F42-H46 AromaticContact CE2-CG 3.77Å; F42-H46 HydrophobicContact CG-CB 4.08Å; F42-H46 HydrophobicContact CZ-CB 4Å; F42-H46 AromaticContact CZ-CD2 3.61Å; F42-H46 AromaticContact CZ-CG 3.7Å; F42-H46 WeakPolarHBondContact O-CB 3.44Å; F42-H46 PolarHBondContact O-ND1 3.19Å; F42-S50 VanDerWaalsContact CE2-OG 3.24Å; F42-S50 WeakPolarHBondContact CE2-OG 3.26Å; F42-S50 WeakPolarHBondContact CZ-O 3.38Å; F42-N52 HydrophobicContact CB-CB 4.3Å; F42-N52 HydrophobicContact CD1-CB 3.62Å; F42-N52 HydrophobicContact CD2-CB 3.84Å; F42-N52 HydrophobicContact CE1-CB 3.81Å; F42-N52 HydrophobicContact CE2-CB 3.99Å; F42-N52 HydrophobicContact CG-CB 3.64Å; F42-N52 HydrophobicContact CZ-CB 4Å
43S65.1Low80.9Confident27 Ų2742.5 Ų42.519%0.18922%0.222CC..Hα-helixtrans-68.8-25.2-173.370.30000113.7F39 L40F39-S43 VanDerWaalsContact O-CB 3.27Å; F39-S43 WeakPolarHBondContact O-CB 3.34Å; F39-S43 PolarHBondContact O-N 2.79Å; F39-S43 PolarHBondContact O-OG 3.2Å; L40-S43 PolarHBondContact O-N 3.03Å; L40-S43 PolarHBondContact O-OG 3.02Å
44T65.9Low79.4Confident80 Ų8045.5 Ų45.549%0.49124%0.238SC..Hα-helixtrans-81.4-42.8176.7540000111.2L40 D41 F42 A146L40-T44 PolarHBondContact O-N 3.27Å; D41-T44 PolarHBondContact O-OG1 3.16Å; F42-T44 VanDerWaalsContact C-N 3.27Å; F42-T44 PolarHBondContact O-N 3.06Å; T44-A146 WeakPolarHBondContact O-CB 3.35Å; T44-A146 PolarHBondContact O-N 3.46Å
45T71.7Confident77.9Confident27 Ų2748.2 Ų48.217%0.16625%0.248CC..EExtended strand (participates in β ladder)trans-152.6137.1178.5-175.70000110.7R37 D41 F42 F132 Y144 H145R37-T45 PolarHBondContact NH2-O 2.76Å; D41-T45 PolarHBondContact O-N 3.24Å; F42-T45 CarbonylContact C-O 3.57Å; F42-T45 CarbonylContact O-C 3.55Å; F42-T45 PolarHBondContact O-N 3.27Å; F42-T45 VanDerWaalsContact O-O 3.06Å; T45-F132 HydrophobicContact CG2-CE1 3.62Å; T45-F132 HydrophobicContact CG2-CZ 3.8Å; T45-F132 WeakPolarHBondContact OG1-CZ 3.33Å; T45-Y144 CarbonylContact C-O 3.58Å; T45-Y144 WeakPolarHBondContact CA-O 3.24Å; T45-Y144 PolarHBondContact OG1-O 2.96Å; T45-H145 PolarHBondContact OG1-CE1 3.09Å; T45-H145 PolarHBondContact OG1-ND1 2.93Å
46H86.1Confident76.1Confident30 Ų3051.2 Ų51.214%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-159.8162.7179.256.5-84.1000111F42 C48 F132 C143 Y144F42-H46 HydrophobicContact CD2-CB 3.53Å; F42-H46 HydrophobicContact CE1-CB 4.49Å; F42-H46 HydrophobicContact CE2-CB 3.51Å; F42-H46 AromaticContact CE2-CD2 3.96Å; F42-H46 AromaticContact CE2-CG 3.77Å; F42-H46 HydrophobicContact CG-CB 4.08Å; F42-H46 HydrophobicContact CZ-CB 4Å; F42-H46 AromaticContact CZ-CD2 3.61Å; F42-H46 AromaticContact CZ-CG 3.7Å; F42-H46 WeakPolarHBondContact O-CB 3.44Å; F42-H46 PolarHBondContact O-ND1 3.19Å; H46-C48 PolarHBondContact O-N 3.13Å; H46-F132 VanDerWaalsContact CA-CE2 3.46Å; H46-C143 CarbonylContact O-C 3.55Å; H46-C143 VanDerWaalsContact O-CA 3.23Å; H46-C143 WeakPolarHBondContact O-CA 3.23Å; H46-Y144 AromaticContact CE1-CD1 3.19Å; H46-Y144 WeakPolarHBondContact CE1-CD1 3.24Å; H46-Y144 AromaticContact CE1-CE1 3.93Å; H46-Y144 AromaticContact CE1-CG 3.63Å; H46-Y144 PolarHBondContact N-O 3.02Å; H46-Y144 AromaticContact ND1-CD1 3.59Å; H46-Y144 PolarHBondContact O-N 3.4Å
47I92.8Very high73.9Confident0 Ų052.7 Ų52.70%028%0.275CS..EExtended strand (participates in β ladder)trans-63.7131.1173.2-63169.8000108.2L15 L19 V33 E49 S50 V94 L128 F132 F135L15-I47 HydrophobicContact CD2-CD1 3.95Å; L19-I47 HydrophobicContact CD1-CG2 3.7Å; V33-I47 HydrophobicContact CG1-CD1 4.47Å; I47-E49 PolarHBondContact O-N 2.72Å; I47-S50 WeakPolarHBondContact O-CB 3.46Å; I47-S50 PolarHBondContact O-N 3.33Å; I47-S50 PolarHBondContact O-OG 2.9Å; I47-V94 HydrophobicContact CD1-CG1 4.39Å; I47-V94 HydrophobicContact CD1-CG2 4.23Å; I47-L128 HydrophobicContact CD1-CD2 4.32Å; I47-F132 HydrophobicContact CD1-CD2 4.32Å; I47-F132 HydrophobicContact CG1-CD2 3.87Å; I47-F132 HydrophobicContact CG1-CE2 3.97Å; I47-F135 HydrophobicContact CD1-CD1 3.7Å; I47-F135 HydrophobicContact CD1-CE1 4Å; I47-F135 HydrophobicContact CD1-CG 4.02Å; I47-F135 HydrophobicContact CG1-CD1 3.6Å; I47-F135 HydrophobicContact CG1-CE1 3.74Å; I47-F135 HydrophobicContact CG1-CG 4.41Å; I47-F135 HydrophobicContact CG2-CE1 4.24Å
48C82.9Confident72Confident55 Ų5557 Ų5737%0.37230%0.296SS..THydrogen-bonded Turntrans-51.4139.3-179-70.90000111.7H46 S50 L142 Y144H46-C48 PolarHBondContact O-N 3.13Å; C48-S50 PolarHBondContact O-N 2.8Å; C48-S50 VanDerWaalsContact O-N 3.08Å; C48-L142 PolarHBondContact N-O 3.14Å; C48-L142 PolarHBondContact SG-O 3.04Å; C48-Y144 PolarHBondContact SG-N 3.01Å; C48-Y144 VanDerWaalsContact SG-N 3.36Å
49E82.3Confident71.1Confident137 Ų13754 Ų5464%0.6428%0.276SS*.THydrogen-bonded Turntrans63.53.2-178.5-59.2-68.6124.800116.1I47I47-E49 PolarHBondContact O-N 2.72Å
50S90.8Very high70.3Confident7 Ų757.3 Ų57.35%0.04929%0.286CS..  trans-67.4158.2172.464.50000112.1V33 F42 I47 C48V33-S50 CarbonylContact O-C 3.57Å; V33-S50 WeakPolarHBondContact O-CA 3.22Å; F42-S50 VanDerWaalsContact CE2-OG 3.24Å; F42-S50 WeakPolarHBondContact CE2-OG 3.26Å; F42-S50 WeakPolarHBondContact CZ-O 3.38Å; I47-S50 WeakPolarHBondContact O-CB 3.46Å; I47-S50 PolarHBondContact O-N 3.33Å; I47-S50 PolarHBondContact O-OG 2.9Å; C48-S50 PolarHBondContact O-N 2.8Å; C48-S50 VanDerWaalsContact O-N 3.08Å
51R85.9Confident70.1Confident126 Ų12662.7 Ų62.748%0.47530%0.3SS..EExtended strand (participates in β ladder)trans-118.5122.7179.9-60.1-65.5174.7176.1-6.4109.3V32 V33 L34 D35 L79V32-R51 HydrophobicContact CG2-CG 4.26Å; V33-R51 PolarHBondContact O-N 3.23Å; L34-R51 CarbonylContact C-O 3.44Å; L34-R51 WeakPolarHBondContact CA-O 3.4Å; L34-R51 HydrophobicContact CD2-CB 4.19Å; D35-R51 PolarHBondContact N-O 2.84Å; R51-L79 HydrophobicContact CB-CD2 4.28Å; R51-L79 HydrophobicContact CG-CD2 4.12Å
52N85.2Confident69.5Low41 Ų4166.2 Ų66.222%0.21931%0.308CS..EExtended strand (participates in β ladder)trans-68.5135.5173.3-173.3-120.1000110.9D35 R37 F42D35-N52 WeakPolarHBondContact O-CA 3.39Å; D35-N52 PolarHBondContact O-ND2 2.94Å; R37-N52 PolarHBondContact O-ND2 3.37Å; F42-N52 HydrophobicContact CB-CB 4.3Å; F42-N52 HydrophobicContact CD1-CB 3.62Å; F42-N52 HydrophobicContact CD2-CB 3.84Å; F42-N52 HydrophobicContact CE1-CB 3.81Å; F42-N52 HydrophobicContact CE2-CB 3.99Å; F42-N52 HydrophobicContact CG-CB 3.64Å; F42-N52 HydrophobicContact CZ-CB 4Å
53V84.2Confident68.4Low2 Ų266.9 Ų66.91%0.01232%0.315CS..  trans-91.2129.6177.3179.80000108.5L34 D35 W55 L73 V109 L113L34-V53 HydrophobicContact CB-CG2 3.81Å; L34-V53 HydrophobicContact CD2-CG2 4.38Å; D35-V53 PolarHBondContact O-N 3.44Å; V53-W55 PolarHBondContact O-N 2.83Å; V53-L73 HydrophobicContact CG1-CB 3.74Å; V53-L73 HydrophobicContact CG1-CD2 4.28Å; V53-L73 WeakPolarHBondContact CG1-O 3.04Å; V53-V109 HydrophobicContact CG1-CG1 4.44Å; V53-L113 HydrophobicContact CG1-CD1 4.38Å; V53-L113 HydrophobicContact CG1-CD2 4.29Å; V53-L113 HydrophobicContact CG2-CD2 3.77Å
54N65.9Low67.9Low66 Ų6674.7 Ų74.735%0.35335%0.346SS..  trans-75.2115.4-171.8-171.3-9.1000111L73 P75N54-L73 PolarHBondContact N-O 2.87Å; N54-P75 HydrophobicContact CB-CG 4.05Å
55W64.7Low67.2Low58 Ų5876.7 Ų76.722%0.2236%0.363CS..  trans-104.682.6174.9-175.8-104.5000111.2V53 R60 V109 M112V53-W55 PolarHBondContact O-N 2.83Å; W55-R60 HydrophobicContact CH2-CG 4.21Å; W55-R60 HydrophobicContact CZ2-CG 3.5Å; W55-R60 VanDerWaalsContact CZ2-CG 3.5Å; W55-R60 VanDerWaalsContact NE1-NH2 3.12Å; W55-V109 HydrophobicContact CD2-CB 4.47Å; W55-V109 HydrophobicContact CD2-CG1 4.44Å; W55-V109 HydrophobicContact CD2-CG2 3.43Å; W55-V109 VanDerWaalsContact CD2-CG2 3.43Å; W55-V109 HydrophobicContact CE3-CB 3.84Å; W55-V109 HydrophobicContact CE3-CG1 3.63Å; W55-V109 HydrophobicContact CE3-CG2 3.24Å; W55-V109 HydrophobicContact CG-CG2 4.05Å; W55-V109 HydrophobicContact CH2-CB 4.44Å; W55-V109 HydrophobicContact CH2-CG2 3.71Å; W55-V109 HydrophobicContact CZ2-CG2 3.94Å; W55-V109 HydrophobicContact CZ3-CB 3.83Å; W55-V109 HydrophobicContact CZ3-CG1 3.94Å; W55-V109 HydrophobicContact CZ3-CG2 3.39Å; W55-M112 HydrophobicContact CH2-CE 3.18Å; W55-M112 HydrophobicContact CZ3-CE 3.19Å
56N54.5Low66.4Low62 Ų6278.4 Ų78.433%0.33238%0.376SS..  trans-82.7146.3170.672.637.1000110.9M58 L59N56-M58 PolarHBondContact O-N 3.17Å; N56-M58 VanDerWaalsContact O-N 3.16Å; N56-M58 VanDerWaalsContact OD1-CB 3.32Å; N56-M58 WeakPolarHBondContact OD1-CB 3.32Å; N56-M58 PolarHBondContact OD1-N 2.88Å; N56-L59 WeakPolarHBondContact O-CB 3.5Å; N56-L59 PolarHBondContact O-N 3.46Å; N56-L59 VanDerWaalsContact OD1-CG 3.29Å; N56-L59 WeakPolarHBondContact OD1-CG 3.44Å; N56-L59 PolarHBondContact OD1-N 3.45Å
57S46.6Very low65.6Low41 Ų4182.1 Ų82.129%0.28740%0.401SS..Hα-helixtrans-64.1-15.517855.50000114L59 R60 L298S57-L59 VanDerWaalsContact C-N 3.31Å; S57-R60 PolarHBondContact O-N 2.68Å; S57-L298 WeakPolarHBondContact OG-CD1 3.21Å; S57-L298 WeakPolarHBondContact OG-CD2 3.46Å; S57-L298 WeakPolarHBondContact OG-CG 3.22Å
58M47.2Very low64.8Low97 Ų9782.7 Ų82.748%0.47840%0.404SS..Hα-helixtrans-65.1-35.4170.9-81.5-81.7-165.300111.2N56 R60 R61 R62N56-M58 PolarHBondContact O-N 3.17Å; N56-M58 VanDerWaalsContact O-N 3.16Å; N56-M58 VanDerWaalsContact OD1-CB 3.32Å; N56-M58 WeakPolarHBondContact OD1-CB 3.32Å; N56-M58 PolarHBondContact OD1-N 2.88Å; M58-R60 VanDerWaalsContact C-N 3.34Å; M58-R60 PolarHBondContact O-N 2.96Å; M58-R61 PolarHBondContact O-N 3.12Å; M58-R62 PolarHBondContact O-N 2.92Å
59L53.5Low64.8Low8 Ų881.2 Ų81.24%0.04240%0.396CS..Hα-helixtrans-65-35.8177-72.7164.9000112.8N56 S57 R61 R62 S63 W72 L73N56-L59 WeakPolarHBondContact O-CB 3.5Å; N56-L59 PolarHBondContact O-N 3.46Å; N56-L59 VanDerWaalsContact OD1-CG 3.29Å; N56-L59 WeakPolarHBondContact OD1-CG 3.44Å; N56-L59 PolarHBondContact OD1-N 3.45Å; S57-L59 VanDerWaalsContact C-N 3.31Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3.31Å; L59-R62 PolarHBondContact O-N 3.46Å; L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.11Å; L59-W72 HydrophobicContact CD1-CB 4.44Å; L59-W72 HydrophobicContact CD2-CB 3.39Å; L59-W72 HydrophobicContact CD2-CD2 4Å; L59-W72 HydrophobicContact CD2-CE3 3.48Å; L59-W72 VanDerWaalsContact CD2-CE3 3.48Å; L59-W72 HydrophobicContact CD2-CG 4.02Å; L59-W72 HydrophobicContact CD2-CZ3 4.49Å; L59-W72 HydrophobicContact CG-CB 4.42Å; L59-L73 HydrophobicContact CD1-CD2 4.02Å
60R52.4Low65Low152 Ų15274.7 Ų74.757%0.57437%0.365SS*.Hα-helixtrans-64.6-29.3174.9-70.4-171.1177.1-148.2-3.9113.8W55 S57 M58 S63W55-R60 HydrophobicContact CH2-CG 4.21Å; W55-R60 HydrophobicContact CZ2-CG 3.5Å; W55-R60 VanDerWaalsContact CZ2-CG 3.5Å; W55-R60 VanDerWaalsContact NE1-NH2 3.12Å; S57-R60 PolarHBondContact O-N 2.68Å; M58-R60 VanDerWaalsContact C-N 3.34Å; M58-R60 PolarHBondContact O-N 2.96Å; R60-S63 PolarHBondContact O-OG 2.88Å
61R54.9Low64.8Low209 Ų20979 Ų7979%0.78939%0.385SS*.Hα-helixtrans-79.7-27178.7-70.7178.478.4-175.44.7112M58 L59M58-R61 PolarHBondContact O-N 3.12Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3.31Å
62R53Low64.4Low144 Ų14476.7 Ų76.754%0.54338%0.376SS..Hα-helixtrans-91.6-25.3-179-65.2-176.8178.3-155.6-0.8113.4M58 L59 K64 S66 W72M58-R62 PolarHBondContact O-N 2.92Å; L59-R62 PolarHBondContact O-N 3.46Å; R62-K64 PolarHBondContact O-N 3.38Å; R62-K64 VanDerWaalsContact O-N 3.16Å; R62-S66 PolarHBondContact O-OG 2.89Å; R62-W72 HydrophobicContact CB-CZ3 4.34Å
63S51.9Low64.1Low36 Ų3674.8 Ų74.825%0.25237%0.366SS..THydrogen-bonded Turntrans-68.4-10.3-178.166.40000115.5L59 R60 S65L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.11Å; R60-S63 PolarHBondContact O-OG 2.88Å; S63-S65 PolarHBondContact O-N 2.91Å
64K53.4Low64.1Low190 Ų19075 Ų7583%0.82637%0.367SS*.THydrogen-bonded Turntrans-68.1-12.8177.7-73.1-170.8176.4-174.40114.1R62R62-K64 PolarHBondContact O-N 3.38Å; R62-K64 VanDerWaalsContact O-N 3.16Å
65S51.3Low64.1Low123 Ų12375.8 Ų75.886%0.8638%0.376SS*.THydrogen-bonded Turntrans-149.62.9-176.7-94.40000117.6S63S63-S65 PolarHBondContact O-N 2.91Å
66S56Low64.7Low62 Ų6276.8 Ų76.843%0.43439%0.385SS..SBendtrans-144149.5-176.865.20000114.2R62 V68R62-S66 PolarHBondContact O-OG 2.89Å; S66-V68 PolarHBondContact O-N 2.82Å
67V67.6Low66Low109 Ų10982 Ų8266%0.66141%0.405SS*.PPolyproline II helixtrans-49130.3166-178.70000109.2
68V76.4Confident67.8Low12 Ų1283.2 Ų83.27%0.07342%0.417CS..PPolyproline II helixtrans-85.1124.7177.6177.50000108.7S66 W72 L73 M112 A116S66-V68 PolarHBondContact O-N 2.82Å; V68-W72 HydrophobicContact CG1-CE3 4.4Å; V68-L73 HydrophobicContact CG1-CD1 3.77Å; V68-L73 HydrophobicContact CG1-CD2 4.29Å; V68-L73 HydrophobicContact CG1-CG 3.88Å; V68-M112 HydrophobicContact CB-CB 4.39Å; V68-M112 HydrophobicContact CG2-CB 4.23Å; V68-M112 HydrophobicContact CG2-CG 4.2Å; V68-M112 HydrophobicContact CG2-SD 3.61Å; V68-A116 VanDerWaalsContact O-CB 3.31Å; V68-A116 WeakPolarHBondContact O-CB 3.19Å
69A83.5Confident69.6Low23 Ų2379.5 Ų79.519%0.1940%0.399CS..PPolyproline II helixtrans-81.4143.8174.300000111.2E71 W72 E120A69-E71 HydrophobicContact CB-CG 4.12Å; A69-E71 PolarHBondContact O-N 2.96Å; A69-W72 HydrophobicContact CB-CD2 4.37Å; A69-W72 HydrophobicContact CB-CG 4.45Å; A69-W72 WeakPolarHBondContact O-CB 3.49Å; A69-W72 PolarHBondContact O-N 3.17Å; A69-W72 VanDerWaalsContact O-N 3.07Å; A69-E120 VanDerWaalsContact CA-OE1 3.26Å; A69-E120 WeakPolarHBondContact CA-OE1 3.38Å
70L87.1Confident71.3Confident0 Ų079.7 Ų79.70%040%0.4CS..Hα-helixtrans-61.2-33.7-177.9-169.763.7000112.2W72 L73 I74 L80 L83 L113 A116 L117 E120 V121L70-W72 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.2Å; L70-I74 HydrophobicContact CD1-CD1 3.71Å; L70-I74 HydrophobicContact CD1-CG1 4.25Å; L70-I74 HydrophobicContact CG-CD1 4.06Å; L70-I74 PolarHBondContact O-N 3.06Å; L70-L80 HydrophobicContact CB-CD1 3.97Å; L70-L80 HydrophobicContact CD2-CD1 3.72Å; L70-L80 HydrophobicContact CG-CD1 3.63Å; L70-L83 HydrophobicContact CD2-CB 4.46Å; L70-L83 HydrophobicContact CD2-CD1 4.44Å; L70-L113 HydrophobicContact CD1-CD1 3.58Å; L70-A116 HydrophobicContact CB-CB 4.26Å; L70-A116 HydrophobicContact CD1-CB 4.23Å; L70-L117 HydrophobicContact CD1-CD2 3.6Å; L70-L117 HydrophobicContact CD1-CG 4Å; L70-L117 HydrophobicContact CD2-CD2 3.84Å; L70-L117 HydrophobicContact CG-CD2 4.39Å; L70-E120 WeakPolarHBondContact CB-OE1 3.18Å; L70-E120 WeakPolarHBondContact CB-OE2 3.4Å; L70-E120 PolarHBondContact N-OE1 3.04Å; L70-V121 HydrophobicContact CD2-CG2 3.88Å
71E85.2Confident73.2Confident98 Ų9873.4 Ų73.446%0.45838%0.382SS..Hα-helixtrans-63.7-19.4177.573.3-169.8-162.600113.8A69 L80 R84A69-E71 HydrophobicContact CB-CG 4.12Å; A69-E71 PolarHBondContact O-N 2.96Å; E71-L80 HydrophobicContact CB-CD1 4.49Å; E71-L80 HydrophobicContact CB-CD2 3.51Å; E71-R84 IonicContact OE2-NH1 3.24Å; E71-R84 IonicContact OE2-NH2 2.59Å; E71-R84 PolarHBondContact OE2-NH2 3.19Å
72W77.9Confident74.9Confident77 Ų7767.4 Ų67.429%0.29236%0.36SS..Hα-helixtrans-82.3-28.8174.8-58.6-8.3000112.2L59 R62 V68 A69 L70L59-W72 HydrophobicContact CD1-CB 4.44Å; L59-W72 HydrophobicContact CD2-CB 3.39Å; L59-W72 HydrophobicContact CD2-CD2 4Å; L59-W72 HydrophobicContact CD2-CE3 3.48Å; L59-W72 VanDerWaalsContact CD2-CE3 3.48Å; L59-W72 HydrophobicContact CD2-CG 4.02Å; L59-W72 HydrophobicContact CD2-CZ3 4.49Å; L59-W72 HydrophobicContact CG-CB 4.42Å; R62-W72 HydrophobicContact CB-CZ3 4.34Å; V68-W72 HydrophobicContact CG1-CE3 4.4Å; A69-W72 HydrophobicContact CB-CD2 4.37Å; A69-W72 HydrophobicContact CB-CG 4.45Å; A69-W72 WeakPolarHBondContact O-CB 3.49Å; A69-W72 PolarHBondContact O-N 3.17Å; A69-W72 VanDerWaalsContact O-N 3.07Å; L70-W72 PolarHBondContact O-N 2.83Å
73L79.9Confident76.8Confident1 Ų160.6 Ų60.61%0.00533%0.334CS..Hα-helixtrans-87.6-29.4-179.5-65.6170.2000111.6V53 N54 L59 V68 L70 L113 A116V53-L73 HydrophobicContact CG1-CB 3.74Å; V53-L73 HydrophobicContact CG1-CD2 4.28Å; V53-L73 WeakPolarHBondContact CG1-O 3.04Å; N54-L73 PolarHBondContact N-O 2.87Å; L59-L73 HydrophobicContact CD1-CD2 4.02Å; V68-L73 HydrophobicContact CG1-CD1 3.77Å; V68-L73 HydrophobicContact CG1-CD2 4.29Å; V68-L73 HydrophobicContact CG1-CG 3.88Å; L70-L73 PolarHBondContact O-N 3.2Å; L73-L113 HydrophobicContact CB-CD1 4.32Å; L73-L113 HydrophobicContact CD1-CB 4.01Å; L73-L113 HydrophobicContact CD1-CD1 3.81Å; L73-A116 HydrophobicContact CD1-CB 4.21Å
74I83.8Confident78.7Confident8 Ų863.8 Ų63.84%0.04134%0.341CS..  trans-124.190.9-175.7-54-177.8000108.9L34 L70 D76 L79 L80 L83L34-I74 HydrophobicContact CD1-CD1 4.24Å; L34-I74 HydrophobicContact CD2-CD1 4.36Å; L70-I74 HydrophobicContact CD1-CD1 3.71Å; L70-I74 HydrophobicContact CD1-CG1 4.25Å; L70-I74 HydrophobicContact CG-CD1 4.06Å; L70-I74 PolarHBondContact O-N 3.06Å; I74-D76 VanDerWaalsContact C-N 3.28Å; I74-D76 PolarHBondContact O-N 3.13Å; I74-L79 HydrophobicContact CG2-CB 4.32Å; I74-L79 HydrophobicContact CG2-CD2 3.88Å; I74-L79 HydrophobicContact CG2-CG 4.06Å; I74-L80 HydrophobicContact CG2-CB 4.36Å; I74-L83 HydrophobicContact CD1-CD1 3.27Å
75P66.3Low80.6Confident82 Ų8262.4 Ų62.453%0.53233%0.331SS..  trans-71.6-22.5-178.328.5-35.2000113.1N54 K77N54-P75 HydrophobicContact CB-CG 4.05Å; P75-K77 PolarHBondContact O-N 3.27Å
76D76.1Confident82.4Confident78 Ų7857.8 Ų57.842%0.41730%0.302SS..  trans-64.8100.8173.7179.3-14.3000109.7I74 A78 L79 L80I74-D76 VanDerWaalsContact C-N 3.28Å; I74-D76 PolarHBondContact O-N 3.13Å; D76-A78 PolarHBondContact O-N 3.04Å; D76-A78 WeakPolarHBondContact OD1-CA 3.47Å; D76-A78 WeakPolarHBondContact OD1-CB 3.13Å; D76-A78 PolarHBondContact OD1-N 2.94Å; D76-L79 HydrophobicContact CB-CB 3.91Å; D76-L79 PolarHBondContact O-N 2.63Å; D76-L79 PolarHBondContact OD1-N 3.26Å; D76-L79 WeakPolarHBondContact OD2-CB 3.31Å; D76-L80 VanDerWaalsContact O-CB 3.27Å; D76-L80 WeakPolarHBondContact O-CB 3.35Å; D76-L80 PolarHBondContact O-N 3.3Å
77K82.3Confident84.1Confident172 Ų17257 Ų5775%0.74829%0.292SS*.Hα-helixtrans-61.9-30.5-179.4-67.6-175.6179.11760112.7P75 G81P75-K77 PolarHBondContact O-N 3.27Å; K77-G81 PolarHBondContact O-N 2.81Å
78A83.9Confident85.2Confident67 Ų6752.6 Ų52.655%0.55426%0.264SS*.Hα-helixtrans-71.4-49.7178.200000109.9D76 G81 R82D76-A78 PolarHBondContact O-N 3.04Å; D76-A78 WeakPolarHBondContact OD1-CA 3.47Å; D76-A78 WeakPolarHBondContact OD1-CB 3.13Å; D76-A78 PolarHBondContact OD1-N 2.94Å; A78-G81 PolarHBondContact O-N 2.8Å; A78-R82 VanDerWaalsContact O-CG 3.27Å; A78-R82 WeakPolarHBondContact O-CG 3.47Å; A78-R82 PolarHBondContact O-N 2.84Å
79L85.5Confident85.9Confident18 Ų1853.3 Ų53.39%0.09427%0.269CS..Hα-helixtrans-59.1-48.3174.4177.458.5000111.4R51 I74 D76 G81 R82 L83 F88R51-L79 HydrophobicContact CB-CD2 4.28Å; R51-L79 HydrophobicContact CG-CD2 4.12Å; I74-L79 HydrophobicContact CG2-CB 4.32Å; I74-L79 HydrophobicContact CG2-CD2 3.88Å; I74-L79 HydrophobicContact CG2-CG 4.06Å; D76-L79 HydrophobicContact CB-CB 3.91Å; D76-L79 PolarHBondContact O-N 2.63Å; D76-L79 PolarHBondContact OD1-N 3.26Å; D76-L79 WeakPolarHBondContact OD2-CB 3.31Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.13Å; L79-R82 PolarHBondContact O-N 2.64Å; L79-R82 VanDerWaalsContact O-N 3.12Å; L79-L83 HydrophobicContact CD1-CD1 4.28Å; L79-L83 HydrophobicContact CD1-CG 4.15Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.36Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 2.82Å; L79-F88 HydrophobicContact CD1-CE2 3.89Å; L79-F88 HydrophobicContact CD1-CZ 4.26Å
80L89.3Confident86.4Confident13 Ų1352.7 Ų52.77%0.06826%0.263CS..Hα-helixtrans-56.9-44.2177.6179.969.3000112L70 E71 I74 D76 R82 L83 R84L70-L80 HydrophobicContact CB-CD1 3.97Å; L70-L80 HydrophobicContact CD2-CD1 3.72Å; L70-L80 HydrophobicContact CG-CD1 3.63Å; E71-L80 HydrophobicContact CB-CD1 4.49Å; E71-L80 HydrophobicContact CB-CD2 3.51Å; I74-L80 HydrophobicContact CG2-CB 4.36Å; D76-L80 VanDerWaalsContact O-CB 3.27Å; D76-L80 WeakPolarHBondContact O-CB 3.35Å; D76-L80 PolarHBondContact O-N 3.3Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.43Å; L80-L83 PolarHBondContact O-N 3.06Å; L80-R84 WeakPolarHBondContact O-CG 3.31Å; L80-R84 PolarHBondContact O-N 2.86Å
81G91Very high86.8Confident19 Ų1952.8 Ų52.820%0.19626%0.263CS..Hα-helixtrans-61.8-40.9176.500000112.6K77 A78 L79 R85K77-G81 PolarHBondContact O-N 2.81Å; A78-G81 PolarHBondContact O-N 2.8Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.13Å; G81-R85 WeakPolarHBondContact O-CG 3.35Å; G81-R85 PolarHBondContact O-N 3.15Å; G81-R85 VanDerWaalsContact O-N 3.14Å; G81-R85 PolarHBondContact O-NH1 3.5Å
82R92.4Very high87.3Confident83 Ų8348.1 Ų48.131%0.31324%0.242SC..Hα-helixtrans-68.3-41.5177.2-65.6177.269.5-162-4.8112A78 L79 L80 R85 G86 E87 F88A78-R82 VanDerWaalsContact O-CG 3.27Å; A78-R82 WeakPolarHBondContact O-CG 3.47Å; A78-R82 PolarHBondContact O-N 2.84Å; L79-R82 PolarHBondContact O-N 2.64Å; L79-R82 VanDerWaalsContact O-N 3.12Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.43Å; R82-R85 VanDerWaalsContact CG-NH2 3.32Å; R82-R85 PolarHBondContact O-N 2.91Å; R82-G86 PolarHBondContact O-N 3.17Å; R82-E87 HydrophobicContact CB-CB 4.2Å; R82-E87 HydrophobicContact CB-CG 4.42Å; R82-E87 VanDerWaalsContact CG-OE2 3.27Å; R82-E87 WeakPolarHBondContact CG-OE2 3.43Å; R82-E87 IonicContact CZ-OE2 2.8Å; R82-E87 IonicContact NE-OE2 3.63Å; R82-E87 PolarHBondContact NE-OE2 3.34Å; R82-E87 IonicContact NH2-OE2 3.5Å; R82-E87 WeakPolarHBondContact O-CB 3.45Å; R82-E87 PolarHBondContact O-N 3.18Å; R82-F88 HydrophobicContact CB-CD2 4.39Å; R82-F88 HydrophobicContact CB-CE2 3.7Å; R82-F88 VanDerWaalsContact NH2-CZ 3.28Å
83L92Very high88.3Confident1 Ų144.4 Ų44.41%0.00523%0.228CC..Hα-helixtrans-58.6-52.1173.8-70.6171.6000111V32 L70 I74 L79 L80 R85 G86 F88 L91 V121V32-L83 HydrophobicContact CG1-CD2 3.93Å; L70-L83 HydrophobicContact CD2-CB 4.46Å; L70-L83 HydrophobicContact CD2-CD1 4.44Å; I74-L83 HydrophobicContact CD1-CD1 3.27Å; L79-L83 HydrophobicContact CD1-CD1 4.28Å; L79-L83 HydrophobicContact CD1-CG 4.15Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.36Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 2.82Å; L80-L83 PolarHBondContact O-N 3.06Å; L83-R85 PolarHBondContact O-N 3.08Å; L83-G86 PolarHBondContact O-N 2.99Å; L83-F88 HydrophobicContact CD2-CD2 3.95Å; L83-L91 HydrophobicContact CD2-CD1 4.01Å; L83-L91 HydrophobicContact CD2-CD2 3.4Å; L83-L91 HydrophobicContact CD2-CG 4.38Å; L83-V121 HydrophobicContact CB-CG2 4.45Å; L83-V121 WeakPolarHBondContact O-CG1 3.15Å
84R92.6Very high89.1Confident103 Ų10344.4 Ų44.439%0.38923%0.227SC..Hα-helixtrans-61.9-26.8178.9-74.8179.3172.5162-1.9113.5E71 L80 G86 E120E71-R84 IonicContact OE2-NH1 3.24Å; E71-R84 IonicContact OE2-NH2 2.59Å; E71-R84 PolarHBondContact OE2-NH2 3.19Å; L80-R84 WeakPolarHBondContact O-CG 3.31Å; L80-R84 PolarHBondContact O-N 2.86Å; R84-G86 VanDerWaalsContact C-N 3.27Å; R84-E120 IonicContact CZ-OE2 2.75Å; R84-E120 IonicContact NE-OE2 3.31Å; R84-E120 PolarHBondContact NE-OE2 2.99Å; R84-E120 VanDerWaalsContact NE-OE2 3.12Å; R84-E120 IonicContact NH2-OE2 3.12Å; R84-E120 PolarHBondContact NH2-OE2 2.84Å
85R91.7Very high89.6Confident162 Ų16245 Ų4561%0.61123%0.231SC*.THydrogen-bonded Turntrans-80.7-2.3172.9-73.6-170.7-59.2-90.63.9114G81 R82 L83 E87G81-R85 WeakPolarHBondContact O-CG 3.35Å; G81-R85 PolarHBondContact O-N 3.15Å; G81-R85 VanDerWaalsContact O-N 3.14Å; G81-R85 PolarHBondContact O-NH1 3.5Å; R82-R85 VanDerWaalsContact CG-NH2 3.32Å; R82-R85 PolarHBondContact O-N 2.91Å; L83-R85 PolarHBondContact O-N 3.08Å; R85-E87 VanDerWaalsContact C-N 3.26Å; R85-E87 HydrophobicContact CB-CG 4.15Å; R85-E87 IonicContact CZ-OE1 2.77Å; R85-E87 IonicContact NE-OE1 3.35Å; R85-E87 PolarHBondContact NE-OE1 3.28Å; R85-E87 IonicContact NH2-OE1 3.81Å; R85-E87 PolarHBondContact NH2-OE1 3.14Å; R85-E87 PolarHBondContact O-N 2.78Å
86G89.6Confident90.8Very high25 Ų2544.2 Ų44.226%0.25822%0.22SC..THydrogen-bonded Turntrans68.324.9-177.400000113R82 L83 R84 F88R82-G86 PolarHBondContact O-N 3.17Å; L83-G86 PolarHBondContact O-N 2.99Å; R84-G86 VanDerWaalsContact C-N 3.27Å; G86-F88 PolarHBondContact O-N 2.64Å; G86-F88 VanDerWaalsContact O-N 3.14Å
87E91.3Very high91.7Very high47 Ų4749.2 Ų49.222%0.2223%0.233CC..  trans-67.7-12-178-75.5-177.6-144.800113.5S28 S29 R82 R85S28-E87 WeakPolarHBondContact CB-O 3.28Å; S29-E87 WeakPolarHBondContact CA-O 3.48Å; S29-E87 WeakPolarHBondContact CB-O 3.12Å; S29-E87 PolarHBondContact N-O 3.18Å; S29-E87 PolarHBondContact OG-O 2.8Å; R82-E87 HydrophobicContact CB-CB 4.2Å; R82-E87 HydrophobicContact CB-CG 4.42Å; R82-E87 VanDerWaalsContact CG-OE2 3.27Å; R82-E87 WeakPolarHBondContact CG-OE2 3.43Å; R82-E87 IonicContact CZ-OE2 2.8Å; R82-E87 IonicContact NE-OE2 3.63Å; R82-E87 PolarHBondContact NE-OE2 3.34Å; R82-E87 IonicContact NH2-OE2 3.5Å; R82-E87 WeakPolarHBondContact O-CB 3.45Å; R82-E87 PolarHBondContact O-N 3.18Å; R85-E87 VanDerWaalsContact C-N 3.26Å; R85-E87 HydrophobicContact CB-CG 4.15Å; R85-E87 IonicContact CZ-OE1 2.77Å; R85-E87 IonicContact NE-OE1 3.35Å; R85-E87 PolarHBondContact NE-OE1 3.28Å; R85-E87 IonicContact NH2-OE1 3.81Å; R85-E87 PolarHBondContact NH2-OE1 3.14Å; R85-E87 PolarHBondContact O-N 2.78Å
88F90.6Very high92.2Very high16 Ų1641.9 Ų41.97%0.0720%0.203CC..  trans-122.3134.8179.4-58.8-81.5000110.8G30 V32 L79 R82 L83 G86 L91 T123G30-F88 CarbonylContact O-C 3.24Å; G30-F88 WeakPolarHBondContact O-CA 3.46Å; V32-F88 HydrophobicContact CB-CB 4.46Å; V32-F88 HydrophobicContact CB-CD1 3.97Å; V32-F88 HydrophobicContact CB-CE1 4.23Å; V32-F88 HydrophobicContact CB-CG 4.11Å; V32-F88 HydrophobicContact CG1-CB 3.78Å; V32-F88 HydrophobicContact CG1-CD1 4.13Å; V32-F88 HydrophobicContact CG1-CD2 4.03Å; V32-F88 HydrophobicContact CG1-CG 3.75Å; L79-F88 HydrophobicContact CD1-CE2 3.89Å; L79-F88 HydrophobicContact CD1-CZ 4.26Å; R82-F88 HydrophobicContact CB-CD2 4.39Å; R82-F88 HydrophobicContact CB-CE2 3.7Å; R82-F88 VanDerWaalsContact NH2-CZ 3.28Å; L83-F88 HydrophobicContact CD2-CD2 3.95Å; G86-F88 PolarHBondContact O-N 2.64Å; G86-F88 VanDerWaalsContact O-N 3.14Å; F88-L91 HydrophobicContact CB-CD2 3.5Å; F88-L91 HydrophobicContact CG-CD2 4.44Å; F88-T123 WeakPolarHBondContact O-CB 3.36Å; F88-T123 WeakPolarHBondContact O-CG2 3.11Å; F88-T123 PolarHBondContact O-OG1 3.36Å
89S91.8Very high92.7Very high27 Ų2740 Ų4019%0.18919%0.19CC..SBendtrans-156.4117175.6-1690000109.4Y26 S28 G30 T123Y26-S89 WeakPolarHBondContact CD1-O 3.47Å; Y26-S89 VanDerWaalsContact CE1-O 3.31Å; Y26-S89 WeakPolarHBondContact CE1-O 3.19Å; S28-S89 PolarHBondContact OG-N 3.27Å; S28-S89 PolarHBondContact OG-O 3.47Å; G30-S89 PolarHBondContact O-N 2.92Å; S89-T123 WeakPolarHBondContact CA-OG1 3.17Å; S89-T123 WeakPolarHBondContact CB-OG1 3.42Å; S89-T123 PolarHBondContact OG-OG1 2.99Å
90P93.3Very high93.1Very high10 Ų1040.3 Ų40.37%0.06519%0.194CC..SBendcis-80.9155.51.932.6-34.6000113.8I18 C31 V32 V92 Q124I18-P90 HydrophobicContact CD1-CG 3.83Å; I18-P90 HydrophobicContact CG1-CG 4.14Å; I18-P90 HydrophobicContact CG2-CG 3.85Å; C31-P90 VanDerWaalsContact CA-O 3.29Å; C31-P90 WeakPolarHBondContact CA-O 3.44Å; C31-P90 HydrophobicContact CB-CG 4.32Å; C31-P90 WeakPolarHBondContact CB-O 3.29Å; V32-P90 PolarHBondContact N-O 3.24Å; P90-V92 HydrophobicContact CG-CG2 4.4Å; P90-Q124 CarbonylContact C-O 3.42Å; P90-Q124 VanDerWaalsContact CA-O 3.31Å; P90-Q124 WeakPolarHBondContact CA-O 3.46Å; P90-Q124 HydrophobicContact CB-CB 4.31Å; P90-Q124 HydrophobicContact CB-CG 4.16Å
91L95.6Very high93.4Very high1 Ų141.8 Ų41.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-88.9123.1160.3-57.6-176.6000108.6V32 L83 F88 L117 V121 T123 Q124 I125 C126V32-L91 HydrophobicContact CG1-CD2 3.22Å; L83-L91 HydrophobicContact CD2-CD1 4.01Å; L83-L91 HydrophobicContact CD2-CD2 3.4Å; L83-L91 HydrophobicContact CD2-CG 4.38Å; F88-L91 HydrophobicContact CB-CD2 3.5Å; F88-L91 HydrophobicContact CG-CD2 4.44Å; L91-L117 HydrophobicContact CD1-CD1 4.45Å; L91-L117 HydrophobicContact CD1-CD2 3.82Å; L91-V121 HydrophobicContact CD1-CG1 4.13Å; L91-T123 HydrophobicContact CB-CG2 4.49Å; L91-T123 HydrophobicContact CD1-CG2 3.43Å; L91-T123 VanDerWaalsContact CD1-CG2 3.43Å; L91-T123 HydrophobicContact CD2-CG2 4.4Å; L91-T123 HydrophobicContact CG-CG2 3.46Å; L91-T123 VanDerWaalsContact CG-CG2 3.46Å; L91-Q124 PolarHBondContact N-O 2.84Å; L91-I125 HydrophobicContact CD1-CG1 4.41Å; L91-I125 CarbonylContact O-C 3.56Å; L91-I125 WeakPolarHBondContact O-CA 3.32Å; L91-C126 PolarHBondContact O-N 3.35Å
92V97.5Very high93.5Very high0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-109.1124.1179.7-175.80000109.5I10 L15 V32 V33 L34 P90 V94 C126 L128I10-V92 HydrophobicContact CD1-CG1 3.9Å; I10-V92 HydrophobicContact CD1-CG2 4.06Å; L15-V92 HydrophobicContact CD1-CB 4.37Å; L15-V92 HydrophobicContact CD1-CG1 4.02Å; L15-V92 HydrophobicContact CD1-CG2 3.99Å; L15-V92 HydrophobicContact CD2-CG1 4.45Å; V32-V92 PolarHBondContact O-N 3.45Å; V33-V92 CarbonylContact C-O 3.59Å; V33-V92 WeakPolarHBondContact CA-O 3.44Å; V33-V92 HydrophobicContact CG2-CB 4.27Å; L34-V92 PolarHBondContact N-O 3.29Å; P90-V92 HydrophobicContact CG-CG2 4.4Å; V92-V94 HydrophobicContact CG1-CG2 4.07Å; V92-C126 CarbonylContact C-O 3.55Å; V92-C126 WeakPolarHBondContact CA-O 3.43Å; V92-C126 HydrophobicContact CG2-CB 4.28Å; V92-L128 HydrophobicContact CG1-CB 4.45Å
93V97.4Very high93.5Very high0 Ų046.9 Ų46.90%024%0.241CC..EExtended strand (participates in β ladder)trans-99.2130.6173.2177.70000109.4L34 A110 L113 L114 L117 C126 F127 L128L34-V93 WeakPolarHBondContact O-CA 3.37Å; V93-A110 HydrophobicContact CG1-CB 4.16Å; V93-L113 HydrophobicContact CG1-CD2 4.06Å; V93-L113 HydrophobicContact CG2-CD2 3.92Å; V93-L113 HydrophobicContact CG2-CG 4.35Å; V93-L114 HydrophobicContact CB-CD2 3.96Å; V93-L114 HydrophobicContact CB-CG 4.42Å; V93-L114 HydrophobicContact CG1-CD2 4.41Å; V93-L114 HydrophobicContact CG1-CG 4.33Å; V93-L114 HydrophobicContact CG2-CD2 3.68Å; V93-L114 HydrophobicContact CG2-CG 4.3Å; V93-L117 HydrophobicContact CG2-CD1 3.79Å; V93-C126 PolarHBondContact N-O 2.87Å; V93-F127 HydrophobicContact CB-CD2 4.38Å; V93-F127 HydrophobicContact CG1-CD2 4.29Å; V93-L128 PolarHBondContact O-N 3.33Å
94V96.9Very high93.5Very high0 Ų047.7 Ų47.70%025%0.245CC..EExtended strand (participates in β ladder)trans-125.5130.8-178.3-178.60000109.1V33 L34 C36 I47 V92 L128 F132V33-V94 HydrophobicContact CG1-CB 4.48Å; V33-V94 HydrophobicContact CG1-CG2 3.59Å; L34-V94 PolarHBondContact O-N 3.11Å; C36-V94 WeakPolarHBondContact CB-O 3.27Å; C36-V94 PolarHBondContact N-O 3.05Å; I47-V94 HydrophobicContact CD1-CG1 4.39Å; I47-V94 HydrophobicContact CD1-CG2 4.23Å; V92-V94 HydrophobicContact CG1-CG2 4.07Å; V94-L128 HydrophobicContact CG1-CD2 3.97Å; V94-L128 HydrophobicContact CG2-CB 3.95Å; V94-L128 HydrophobicContact CG2-CD2 3.84Å; V94-F132 HydrophobicContact CG1-CB 3.96Å
95D94.4Very high93.2Very high21 Ų2149.4 Ų49.411%0.11226%0.255CS..  trans-110.1-165.7170.689.9-45.7000110.6R97 S98 A110 F127 F132D95-R97 PolarHBondContact OD1-N 3.49Å; D95-R97 PolarHBondContact OD2-N 2.85Å; D95-S98 PolarHBondContact OD1-N 3.49Å; D95-S98 VanDerWaalsContact OD2-CB 3.26Å; D95-S98 WeakPolarHBondContact OD2-CB 3.42Å; D95-S98 PolarHBondContact OD2-N 3.46Å; D95-S98 PolarHBondContact OD2-OG 2.95Å; D95-A110 HydrophobicContact CB-CB 4.06Å; D95-F127 HydrophobicContact CB-CE2 4.36Å; D95-F132 PolarHBondContact O-N 2.98Å
96E91.3Very high92.8Very high65 Ų6546.3 Ų46.330%0.30426%0.258SS..SBendtrans-69.6-52.1179.2-166.669.3-124.600112.4R37 G131 F132 E133R37-E96 VanDerWaalsContact CD-CD 3.43Å; R37-E96 WeakPolarHBondContact CD-OE2 3.45Å; R37-E96 HydrophobicContact CG-CB 4.24Å; R37-E96 WeakPolarHBondContact CG-OE2 3.39Å; R37-E96 IonicContact NH1-OE1 2.74Å; E96-G131 CarbonylContact O-C 3.43Å; E96-F132 PolarHBondContact O-N 3.36Å; E96-F132 VanDerWaalsContact O-N 3.11Å; E96-E133 WeakPolarHBondContact O-CB 3.34Å; E96-E133 PolarHBondContact O-N 3.33Å
97R94.4Very high92.3Very high184 Ų18450.2 Ų50.269%0.69427%0.27SS*.SBendtrans-158.77-161.867.6-177.7-176.8-179.71.2115.9D95 G99D95-R97 PolarHBondContact OD1-N 3.49Å; D95-R97 PolarHBondContact OD2-N 2.85Å; R97-G99 PolarHBondContact O-N 3.23Å
98S94.8Very high92Very high18 Ų1849.3 Ų49.313%0.12627%0.269CS..  trans-67.6129.2-175.4-870000110.8D95 S100 G130D95-S98 PolarHBondContact OD1-N 3.49Å; D95-S98 VanDerWaalsContact OD2-CB 3.26Å; D95-S98 WeakPolarHBondContact OD2-CB 3.42Å; D95-S98 PolarHBondContact OD2-N 3.46Å; D95-S98 PolarHBondContact OD2-OG 2.95Å; S98-S100 VanDerWaalsContact C-N 3.35Å; S98-G130 WeakPolarHBondContact O-CA 3.38Å; S98-G130 PolarHBondContact O-N 3.04Å
99G93.1Very high91.8Very high27 Ų2749.5 Ų49.528%0.27827%0.271SS..SBendtrans-75-25.7-177.600000113.5R97 E103 Q129R97-G99 PolarHBondContact O-N 3.23Å; G99-E103 PolarHBondContact N-OE2 2.84Å; G99-Q129 WeakPolarHBondContact O-CB 3.4Å; G99-Q129 WeakPolarHBondContact O-CG 3.49Å
100S95.1Very high91.8Very high24 Ų2448.3 Ų48.317%0.16826%0.263CS..SBendtrans-156.8164.7-178.361.50000111.7E9 S98 A102 E103E9-S100 VanDerWaalsContact OE1-CA 3.27Å; E9-S100 WeakPolarHBondContact OE1-CA 3.32Å; E9-S100 VanDerWaalsContact OE1-CB 3.27Å; E9-S100 WeakPolarHBondContact OE1-CB 3.37Å; S98-S100 VanDerWaalsContact C-N 3.35Å; S100-A102 PolarHBondContact O-N 3.15Å; S100-E103 PolarHBondContact O-N 2.92Å; S100-E103 VanDerWaalsContact O-N 3.13Å; S100-E103 PolarHBondContact OG-OE1 2.74Å
101L93.9Very high91.8Very high44 Ų4450.5 Ų50.523%0.2327%0.272CS..G310 helixtrans-57.4-32.5170.4-71.4172.2000111.9T7 E9 E103 L104 L114 F127T7-L101 HydrophobicContact CG2-CD1 3.94Å; T7-L101 HydrophobicContact CG2-CD2 4.07Å; E9-L101 HydrophobicContact CG-CD1 3.69Å; E9-L101 HydrophobicContact CG-CG 3.81Å; E9-L101 WeakPolarHBondContact OE1-CB 3.31Å; E9-L101 PolarHBondContact OE1-N 2.78Å; L101-E103 PolarHBondContact O-N 3.03Å; L101-L104 HydrophobicContact CD2-CD1 3.86Å; L101-L104 WeakPolarHBondContact O-CB 3.44Å; L101-L104 PolarHBondContact O-N 3Å; L101-L114 HydrophobicContact CD2-CD1 3.52Å; L101-F127 HydrophobicContact CD2-CB 3.58Å; L101-F127 HydrophobicContact CD2-CD1 3.8Å; L101-F127 HydrophobicContact CD2-CD2 4.3Å; L101-F127 HydrophobicContact CD2-CG 3.61Å; L101-F127 HydrophobicContact CG-CB 4.15Å; L101-F127 HydrophobicContact CG-CD1 3.98Å; L101-F127 HydrophobicContact CG-CG 4.23Å
102A93Very high91.4Very high97 Ų9751.2 Ų51.280%0.80228%0.276SS*.G310 helixtrans-67.6-2217900000113S100S100-A102 PolarHBondContact O-N 3.15Å
103E93.1Very high91.1Very high113 Ų11351.2 Ų51.253%0.52828%0.276SS..G310 helixtrans-87.6-11.5177.8-69.6167-13900113.2G99 S100 L101 K105G99-E103 PolarHBondContact N-OE2 2.84Å; S100-E103 PolarHBondContact O-N 2.92Å; S100-E103 VanDerWaalsContact O-N 3.13Å; S100-E103 PolarHBondContact OG-OE1 2.74Å; L101-E103 PolarHBondContact O-N 3.03Å; E103-K105 PolarHBondContact O-N 3.33Å
104L91.3Very high90.9Very high18 Ų1851.4 Ų51.49%0.09428%0.277CS..  trans-68125.3179.6-69.3179000110.5L101 A110 Q111 L114 F127L101-L104 HydrophobicContact CD2-CD1 3.86Å; L101-L104 WeakPolarHBondContact O-CB 3.44Å; L101-L104 PolarHBondContact O-N 3Å; L104-A110 HydrophobicContact CD1-CB 4.25Å; L104-A110 HydrophobicContact CD2-CB 3.91Å; L104-Q111 HydrophobicContact CB-CB 4.37Å; L104-L114 HydrophobicContact CD1-CD1 3.68Å; L104-F127 HydrophobicContact CD1-CD2 4.28Å; L104-F127 HydrophobicContact CD1-CE2 4.01Å; L104-F127 HydrophobicContact CD1-CZ 4.18Å; L104-F127 HydrophobicContact CD2-CE2 4.11Å; L104-F127 HydrophobicContact CD2-CZ 3.92Å; L104-F127 HydrophobicContact CG-CE2 4.48Å; L104-F127 HydrophobicContact CG-CZ 4.23Å
105K87.4Confident90.6Very high139 Ų13953.7 Ų53.760%0.60429%0.291SS*.  trans-68.5143.5171.4-57.3-172.9-178.3-179.30109.9E103 E107 S108 Q111E103-K105 PolarHBondContact O-N 3.33Å; K105-E107 VanDerWaalsContact CD-OE1 3.28Å; K105-E107 WeakPolarHBondContact CD-OE1 3.13Å; K105-E107 PolarHBondContact O-N 3.32Å; K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 3.26Å; K105-S108 PolarHBondContact O-OG 3.32Å; K105-Q111 VanDerWaalsContact O-CB 3.31Å; K105-Q111 WeakPolarHBondContact O-CB 3.29Å
106S82.4Confident90.5Very high96 Ų9652.7 Ų52.767%0.67129%0.285SS*.THydrogen-bonded Turntrans-59.8-30.8-178.956.40000112.8
107E79.2Confident90.6Very high107 Ų10749.6 Ų49.650%0.527%0.271SS..THydrogen-bonded Turntrans-88.72.8176.676.2-76.8-177.800114.8K105K105-E107 VanDerWaalsContact CD-OE1 3.28Å; K105-E107 WeakPolarHBondContact CD-OE1 3.13Å; K105-E107 PolarHBondContact O-N 3.32Å
108S86.1Confident90.4Very high29 Ų2944.4 Ų44.420%0.20326%0.255CS..SBendtrans-71.6151.5178.970.90000111.9K105 A110 Q111 M112K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 3.26Å; K105-S108 PolarHBondContact O-OG 3.32Å; S108-A110 VanDerWaalsContact C-N 3.3Å; S108-A110 PolarHBondContact O-N 2.48Å; S108-Q111 PolarHBondContact O-N 3.44Å; S108-Q111 WeakPolarHBondContact OG-CB 3.49Å; S108-Q111 PolarHBondContact OG-N 3.49Å; S108-Q111 VanDerWaalsContact OG-N 3.15Å; S108-M112 PolarHBondContact O-N 3.44Å; S108-M112 VanDerWaalsContact O-N 3.1Å
109V86.3Confident90.2Very high19 Ų1948.6 Ų48.612%0.11528%0.276CS..Hα-helixtrans-59.3-45.1177.3-168.50000110.5C36 V53 W55 Q111 M112 L113C36-V109 HydrophobicContact CB-CB 4.02Å; C36-V109 HydrophobicContact CB-CG1 4.05Å; V53-V109 HydrophobicContact CG1-CG1 4.44Å; W55-V109 HydrophobicContact CD2-CB 4.47Å; W55-V109 HydrophobicContact CD2-CG1 4.44Å; W55-V109 HydrophobicContact CD2-CG2 3.43Å; W55-V109 VanDerWaalsContact CD2-CG2 3.43Å; W55-V109 HydrophobicContact CE3-CB 3.84Å; W55-V109 HydrophobicContact CE3-CG1 3.63Å; W55-V109 HydrophobicContact CE3-CG2 3.24Å; W55-V109 HydrophobicContact CG-CG2 4.05Å; W55-V109 HydrophobicContact CH2-CB 4.44Å; W55-V109 HydrophobicContact CH2-CG2 3.71Å; W55-V109 HydrophobicContact CZ2-CG2 3.94Å; W55-V109 HydrophobicContact CZ3-CB 3.83Å; W55-V109 HydrophobicContact CZ3-CG1 3.94Å; W55-V109 HydrophobicContact CZ3-CG2 3.39Å; V109-Q111 PolarHBondContact O-N 3.22Å; V109-M112 PolarHBondContact O-N 2.93Å; V109-L113 VanDerWaalsContact O-CB 3.3Å; V109-L113 WeakPolarHBondContact O-CB 3.33Å; V109-L113 PolarHBondContact O-N 2.87Å
110A92.1Very high90.1Very high3 Ų350.1 Ų50.13%0.02528%0.275CS..Hα-helixtrans-59.2-47.3178.900000111.3C36 V93 D95 L104 S108 M112 L113 L114 F127C36-A110 HydrophobicContact CB-CB 4.31Å; V93-A110 HydrophobicContact CG1-CB 4.16Å; D95-A110 HydrophobicContact CB-CB 4.06Å; L104-A110 HydrophobicContact CD1-CB 4.25Å; L104-A110 HydrophobicContact CD2-CB 3.91Å; S108-A110 VanDerWaalsContact C-N 3.3Å; S108-A110 PolarHBondContact O-N 2.48Å; A110-M112 PolarHBondContact O-N 3.43Å; A110-L113 PolarHBondContact O-N 2.87Å; A110-L114 WeakPolarHBondContact O-CB 3.48Å; A110-L114 WeakPolarHBondContact O-CG 3.48Å; A110-L114 PolarHBondContact O-N 2.81Å; A110-F127 HydrophobicContact CB-CE2 4.37Å
111Q91.6Very high89.9Confident55 Ų5549 Ų4926%0.25727%0.268SS..Hα-helixtrans-62.7-43.6179.1-17357.839.800112.4L104 K105 S108 V109 L114 T115L104-Q111 HydrophobicContact CB-CB 4.37Å; K105-Q111 VanDerWaalsContact O-CB 3.31Å; K105-Q111 WeakPolarHBondContact O-CB 3.29Å; S108-Q111 PolarHBondContact O-N 3.44Å; S108-Q111 WeakPolarHBondContact OG-CB 3.49Å; S108-Q111 PolarHBondContact OG-N 3.49Å; S108-Q111 VanDerWaalsContact OG-N 3.15Å; V109-Q111 PolarHBondContact O-N 3.22Å; Q111-L114 PolarHBondContact O-N 3.46Å; Q111-T115 WeakPolarHBondContact O-CB 3.38Å; Q111-T115 PolarHBondContact O-N 3.42Å; Q111-T115 PolarHBondContact O-OG1 2.96Å
112M88.2Confident89.7Confident17 Ų1755.4 Ų55.48%0.08430%0.296CS..Hα-helixtrans-68.4-38.7178.7-69.8-170.9-69.500112.4W55 V68 S108 V109 A110 T115 A116W55-M112 HydrophobicContact CH2-CE 3.18Å; W55-M112 HydrophobicContact CZ3-CE 3.19Å; V68-M112 HydrophobicContact CB-CB 4.39Å; V68-M112 HydrophobicContact CG2-CB 4.23Å; V68-M112 HydrophobicContact CG2-CG 4.2Å; V68-M112 HydrophobicContact CG2-SD 3.61Å; S108-M112 PolarHBondContact O-N 3.44Å; S108-M112 VanDerWaalsContact O-N 3.1Å; V109-M112 PolarHBondContact O-N 2.93Å; A110-M112 PolarHBondContact O-N 3.43Å; M112-T115 PolarHBondContact O-N 3.16Å; M112-A116 WeakPolarHBondContact O-CB 3.4Å; M112-A116 PolarHBondContact O-N 3.25Å
113L91.8Very high89.6Confident0 Ų051.7 Ų51.70%026%0.264CS..Hα-helixtrans-63.7-46.3174.217964.9000111.5L34 C36 V53 L70 L73 V93 V109 A110 T115 A116 L117L34-L113 HydrophobicContact CB-CD2 4Å; L34-L113 HydrophobicContact CD1-CD1 4.5Å; L34-L113 HydrophobicContact CD1-CD2 4.16Å; C36-L113 VanDerWaalsContact SG-CD2 3.5Å; V53-L113 HydrophobicContact CG1-CD1 4.38Å; V53-L113 HydrophobicContact CG1-CD2 4.29Å; V53-L113 HydrophobicContact CG2-CD2 3.77Å; L70-L113 HydrophobicContact CD1-CD1 3.58Å; L73-L113 HydrophobicContact CB-CD1 4.32Å; L73-L113 HydrophobicContact CD1-CB 4.01Å; L73-L113 HydrophobicContact CD1-CD1 3.81Å; V93-L113 HydrophobicContact CG1-CD2 4.06Å; V93-L113 HydrophobicContact CG2-CD2 3.92Å; V93-L113 HydrophobicContact CG2-CG 4.35Å; V109-L113 VanDerWaalsContact O-CB 3.3Å; V109-L113 WeakPolarHBondContact O-CB 3.33Å; V109-L113 PolarHBondContact O-N 2.87Å; A110-L113 PolarHBondContact O-N 2.87Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-L117 HydrophobicContact CD1-CD1 4.1Å; L113-L117 HydrophobicContact CD1-CG 4.05Å; L113-L117 HydrophobicContact CD2-CD1 4.44Å; L113-L117 HydrophobicContact CG-CD1 3.84Å; L113-L117 HydrophobicContact CG-CG 4.23Å; L113-L117 WeakPolarHBondContact O-CB 3.45Å; L113-L117 VanDerWaalsContact O-CG 3.27Å; L113-L117 WeakPolarHBondContact O-CG 3.24Å; L113-L117 PolarHBondContact O-N 2.98Å
114L93.6Very high89.6Confident3 Ų350.7 Ų50.72%0.01626%0.259CS..Hα-helixtrans-57.4-44.6176.2-74.3170.9000110.9T7 V93 L101 L104 A110 Q111 L117 Q118 I125 F127T7-L114 HydrophobicContact CG2-CD2 3.73Å; V93-L114 HydrophobicContact CB-CD2 3.96Å; V93-L114 HydrophobicContact CB-CG 4.42Å; V93-L114 HydrophobicContact CG1-CD2 4.41Å; V93-L114 HydrophobicContact CG1-CG 4.33Å; V93-L114 HydrophobicContact CG2-CD2 3.68Å; V93-L114 HydrophobicContact CG2-CG 4.3Å; L101-L114 HydrophobicContact CD2-CD1 3.52Å; L104-L114 HydrophobicContact CD1-CD1 3.68Å; A110-L114 WeakPolarHBondContact O-CB 3.48Å; A110-L114 WeakPolarHBondContact O-CG 3.48Å; A110-L114 PolarHBondContact O-N 2.81Å; Q111-L114 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 3.45Å; L114-Q118 WeakPolarHBondContact O-CB 3.31Å; L114-Q118 WeakPolarHBondContact O-CG 3.19Å; L114-Q118 PolarHBondContact O-N 3.28Å; L114-I125 HydrophobicContact CD2-CG2 3.72Å; L114-F127 HydrophobicContact CD1-CD2 4.22Å
115T90.7Very high89.9Confident48 Ų4849.9 Ų49.929%0.29426%0.255SS..Hα-helixtrans-62.6-44.7177.1-54.30000111.4Q111 M112 L113 N119Q111-T115 WeakPolarHBondContact O-CB 3.38Å; Q111-T115 PolarHBondContact O-N 3.42Å; Q111-T115 PolarHBondContact O-OG1 2.96Å; M112-T115 PolarHBondContact O-N 3.16Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3Å; T115-N119 VanDerWaalsContact O-CG 3.25Å; T115-N119 PolarHBondContact O-N 3.4Å; T115-N119 PolarHBondContact O-ND2 3.47Å
116A90.9Very high90.3Very high0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-63.9-44.7178.100000111.9V68 L70 L73 M112 L113 N119 E120V68-A116 VanDerWaalsContact O-CB 3.31Å; V68-A116 WeakPolarHBondContact O-CB 3.19Å; L70-A116 HydrophobicContact CB-CB 4.26Å; L70-A116 HydrophobicContact CD1-CB 4.23Å; L73-A116 HydrophobicContact CD1-CB 4.21Å; M112-A116 WeakPolarHBondContact O-CB 3.4Å; M112-A116 PolarHBondContact O-N 3.25Å; L113-A116 PolarHBondContact O-N 3.41Å; A116-N119 PolarHBondContact O-N 3.24Å; A116-E120 WeakPolarHBondContact O-CB 3.26Å; A116-E120 PolarHBondContact O-N 3.1Å
117L93Very high91.1Very high0 Ų038.7 Ų38.70%019%0.194CC..Hα-helixtrans-62.6-44.7178.2-72.2172.7000111.8L34 L70 L91 V93 L113 L114 N119 E120 V121 I125L34-L117 HydrophobicContact CD1-CD1 4.01Å; L34-L117 HydrophobicContact CD1-CD2 4.44Å; L70-L117 HydrophobicContact CD1-CD2 3.6Å; L70-L117 HydrophobicContact CD1-CG 4Å; L70-L117 HydrophobicContact CD2-CD2 3.84Å; L70-L117 HydrophobicContact CG-CD2 4.39Å; L91-L117 HydrophobicContact CD1-CD1 4.45Å; L91-L117 HydrophobicContact CD1-CD2 3.82Å; V93-L117 HydrophobicContact CG2-CD1 3.79Å; L113-L117 HydrophobicContact CD1-CD1 4.1Å; L113-L117 HydrophobicContact CD1-CG 4.05Å; L113-L117 HydrophobicContact CD2-CD1 4.44Å; L113-L117 HydrophobicContact CG-CD1 3.84Å; L113-L117 HydrophobicContact CG-CG 4.23Å; L113-L117 WeakPolarHBondContact O-CB 3.45Å; L113-L117 VanDerWaalsContact O-CG 3.27Å; L113-L117 WeakPolarHBondContact O-CG 3.24Å; L113-L117 PolarHBondContact O-N 2.98Å; L114-L117 PolarHBondContact O-N 3.45Å; L117-N119 PolarHBondContact O-N 3.04Å; L117-E120 PolarHBondContact O-N 3.36Å; L117-V121 HydrophobicContact CD2-CG2 4.05Å; L117-V121 WeakPolarHBondContact O-CA 3.4Å; L117-V121 WeakPolarHBondContact O-CB 3.49Å; L117-V121 PolarHBondContact O-N 2.73Å; L117-I125 HydrophobicContact CB-CD1 3.72Å; L117-I125 HydrophobicContact CB-CG1 4.44Å; L117-I125 HydrophobicContact CD1-CG2 4.43Å
118Q91.9Very high92Very high75 Ų7533.6 Ų33.635%0.3517%0.17SC..Hα-helixtrans-61.5-31.2177.4-74.2173.5-26.700112.9T7 L114 I125T7-Q118 PolarHBondContact OG1-NE2 2.64Å; L114-Q118 WeakPolarHBondContact O-CB 3.31Å; L114-Q118 WeakPolarHBondContact O-CG 3.19Å; L114-Q118 PolarHBondContact O-N 3.28Å; Q118-I125 HydrophobicContact CG-CD1 3.96Å
119N89.6Confident92.5Very high107 Ų10735.1 Ų35.157%0.57218%0.175SC*.Hα-helixtrans-85.1-33.6-179.4-70.7-30.2000113.1T115 A116 L117T115-N119 VanDerWaalsContact O-CG 3.25Å; T115-N119 PolarHBondContact O-N 3.4Å; T115-N119 PolarHBondContact O-ND2 3.47Å; A116-N119 PolarHBondContact O-N 3.24Å; L117-N119 PolarHBondContact O-N 3.04Å
120E91Very high92.8Very high58 Ų5835.4 Ų35.427%0.27118%0.181SC..Hα-helixtrans-108.6-12.9-169.4-67.7-175-128.800114.6A69 L70 R84 A116 L117A69-E120 VanDerWaalsContact CA-OE1 3.26Å; A69-E120 WeakPolarHBondContact CA-OE1 3.38Å; L70-E120 WeakPolarHBondContact CB-OE1 3.18Å; L70-E120 WeakPolarHBondContact CB-OE2 3.4Å; L70-E120 PolarHBondContact N-OE1 3.04Å; R84-E120 IonicContact CZ-OE2 2.75Å; R84-E120 IonicContact NE-OE2 3.31Å; R84-E120 PolarHBondContact NE-OE2 2.99Å; R84-E120 VanDerWaalsContact NE-OE2 3.12Å; R84-E120 IonicContact NH2-OE2 3.12Å; R84-E120 PolarHBondContact NH2-OE2 2.84Å; A116-E120 WeakPolarHBondContact O-CB 3.26Å; A116-E120 PolarHBondContact O-N 3.1Å; L117-E120 PolarHBondContact O-N 3.36Å
121V91.3Very high93Very high2 Ų235.3 Ų35.31%0.01218%0.18CC..  trans-131.6137.1-173.9-171.80000111L70 L83 L91 L117 T123L70-V121 HydrophobicContact CD2-CG2 3.88Å; L83-V121 HydrophobicContact CB-CG2 4.45Å; L83-V121 WeakPolarHBondContact O-CG1 3.15Å; L91-V121 HydrophobicContact CD1-CG1 4.13Å; L117-V121 HydrophobicContact CD2-CG2 4.05Å; L117-V121 WeakPolarHBondContact O-CA 3.4Å; L117-V121 WeakPolarHBondContact O-CB 3.49Å; L117-V121 PolarHBondContact O-N 2.73Å; V121-T123 HydrophobicContact CG1-CG2 3.63Å
122Q89.6Confident93.2Very high177 Ų17733 Ų3383%0.82717%0.169SC*.  trans-108.279.1177.2-65.6-175.9-1.300110.6
123T90.7Very high93.5Very high20 Ų2036.4 Ų36.412%0.12319%0.185CC..SBendtrans-150.8173.9178.4-167.40000110.8F88 S89 L91 V121 I125F88-T123 WeakPolarHBondContact O-CB 3.36Å; F88-T123 WeakPolarHBondContact O-CG2 3.11Å; F88-T123 PolarHBondContact O-OG1 3.36Å; S89-T123 WeakPolarHBondContact CA-OG1 3.17Å; S89-T123 WeakPolarHBondContact CB-OG1 3.42Å; S89-T123 PolarHBondContact OG-OG1 2.99Å; L91-T123 HydrophobicContact CB-CG2 4.49Å; L91-T123 HydrophobicContact CD1-CG2 3.43Å; L91-T123 VanDerWaalsContact CD1-CG2 3.43Å; L91-T123 HydrophobicContact CD2-CG2 4.4Å; L91-T123 HydrophobicContact CG-CG2 3.46Å; L91-T123 VanDerWaalsContact CG-CG2 3.46Å; V121-T123 HydrophobicContact CG1-CG2 3.63Å; T123-I125 HydrophobicContact CG2-CG1 4.41Å; T123-I125 PolarHBondContact O-N 3.38Å
124Q93.3Very high93.6Very high92 Ų9237.4 Ų37.443%0.4320%0.195SC..  trans-70118.5173.1-176.1177-34.100109.7L8 P90 L91L8-Q124 HydrophobicContact CD1-CG 4.19Å; P90-Q124 CarbonylContact C-O 3.42Å; P90-Q124 VanDerWaalsContact CA-O 3.31Å; P90-Q124 WeakPolarHBondContact CA-O 3.46Å; P90-Q124 HydrophobicContact CB-CB 4.31Å; P90-Q124 HydrophobicContact CB-CG 4.16Å; L91-Q124 PolarHBondContact N-O 2.84Å
125I96.3Very high93.7Very high0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-107.9129.9177.1-57.1163.3000108.2T7 L8 L91 L114 L117 Q118 T123T7-I125 WeakPolarHBondContact CA-O 3.42Å; T7-I125 HydrophobicContact CG2-CG2 4.22Å; L8-I125 PolarHBondContact N-O 3.35Å; L91-I125 HydrophobicContact CD1-CG1 4.41Å; L91-I125 CarbonylContact O-C 3.56Å; L91-I125 WeakPolarHBondContact O-CA 3.32Å; L114-I125 HydrophobicContact CD2-CG2 3.72Å; L117-I125 HydrophobicContact CB-CD1 3.72Å; L117-I125 HydrophobicContact CB-CG1 4.44Å; L117-I125 HydrophobicContact CD1-CG2 4.43Å; Q118-I125 HydrophobicContact CG-CD1 3.96Å; T123-I125 HydrophobicContact CG2-CG1 4.41Å; T123-I125 PolarHBondContact O-N 3.38Å
126C97.5Very high93.9Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-123.2146.9-179.3-64.80000110.5L8 I10 L91 V92 V93L8-C126 CarbonylContact O-C 3.58Å; L8-C126 WeakPolarHBondContact O-CA 3.18Å; I10-C126 HydrophobicContact CD1-CB 3.91Å; I10-C126 HydrophobicContact CG1-CB 4.1Å; I10-C126 HydrophobicContact CG2-CB 3.91Å; L91-C126 PolarHBondContact O-N 3.35Å; V92-C126 CarbonylContact C-O 3.55Å; V92-C126 WeakPolarHBondContact CA-O 3.43Å; V92-C126 HydrophobicContact CG2-CB 4.28Å; V93-C126 PolarHBondContact N-O 2.87Å
127F97.8Very high94Very high0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-116.6132.1170.6177.2-104000109.5T7 L8 E9 I10 V93 D95 L101 L104 A110 L114T7-F127 HydrophobicContact CG2-CB 4.07Å; L8-F127 PolarHBondContact O-N 3.47Å; E9-F127 WeakPolarHBondContact CA-O 3.42Å; I10-F127 PolarHBondContact N-O 3.31Å; V93-F127 HydrophobicContact CB-CD2 4.38Å; V93-F127 HydrophobicContact CG1-CD2 4.29Å; D95-F127 HydrophobicContact CB-CE2 4.36Å; L101-F127 HydrophobicContact CD2-CB 3.58Å; L101-F127 HydrophobicContact CD2-CD1 3.8Å; L101-F127 HydrophobicContact CD2-CD2 4.3Å; L101-F127 HydrophobicContact CD2-CG 3.61Å; L101-F127 HydrophobicContact CG-CB 4.15Å; L101-F127 HydrophobicContact CG-CD1 3.98Å; L101-F127 HydrophobicContact CG-CG 4.23Å; L104-F127 HydrophobicContact CD1-CD2 4.28Å; L104-F127 HydrophobicContact CD1-CE2 4.01Å; L104-F127 HydrophobicContact CD1-CZ 4.18Å; L104-F127 HydrophobicContact CD2-CE2 4.11Å; L104-F127 HydrophobicContact CD2-CZ 3.92Å; L104-F127 HydrophobicContact CG-CE2 4.48Å; L104-F127 HydrophobicContact CG-CZ 4.23Å; A110-F127 HydrophobicContact CB-CE2 4.37Å; L114-F127 HydrophobicContact CD1-CD2 4.22Å
128L98.1Very high94Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-81.6117.1-178.7-177.564.4000111.4I10 N12 L15 I47 V92 V93 V94 G131 F135I10-L128 HydrophobicContact CG1-CD1 4.31Å; N12-L128 WeakPolarHBondContact OD1-CD1 3.33Å; L15-L128 HydrophobicContact CB-CD1 3.93Å; L15-L128 HydrophobicContact CD2-CD1 3.72Å; L15-L128 HydrophobicContact CD2-CD2 3.56Å; L15-L128 HydrophobicContact CD2-CG 4.18Å; L15-L128 HydrophobicContact CG-CD1 4.48Å; I47-L128 HydrophobicContact CD1-CD2 4.32Å; V92-L128 HydrophobicContact CG1-CB 4.45Å; V93-L128 PolarHBondContact O-N 3.33Å; V94-L128 HydrophobicContact CG1-CD2 3.97Å; V94-L128 HydrophobicContact CG2-CB 3.95Å; V94-L128 HydrophobicContact CG2-CD2 3.84Å; L128-G131 PolarHBondContact O-N 3.35Å; L128-F135 HydrophobicContact CD2-CB 3.97Å; L128-F135 HydrophobicContact CD2-CD2 4.19Å; L128-F135 HydrophobicContact CD2-CG 4.28Å
129Q97.3Very high94.2Very high62 Ų6244.5 Ų44.529%0.2924%0.236SC..THydrogen-bonded Turntrans-68.8132.3174.1-66.1179.9-29.300111.2E9 I10 N12 G99 G131E9-Q129 HydrophobicContact CB-CG 3.92Å; E9-Q129 PolarHBondContact OE2-NE2 3.13Å; I10-Q129 PolarHBondContact O-N 3.15Å; N12-Q129 PolarHBondContact OD1-O 3.49Å; G99-Q129 WeakPolarHBondContact O-CB 3.4Å; G99-Q129 WeakPolarHBondContact O-CG 3.49Å; Q129-G131 VanDerWaalsContact C-N 3.3Å
130G92.4Very high94.3Very high25 Ų2542.3 Ų42.326%0.25823%0.228SC..THydrogen-bonded Turntrans85.2118000000114.3S98 G134S98-G130 WeakPolarHBondContact O-CA 3.38Å; S98-G130 PolarHBondContact O-N 3.04Å; G130-G134 PolarHBondContact O-N 3.48Å
131G95.9Very high94.3Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans60.6-167.3176.100000114.6E96 L128 Q129 F135E96-G131 CarbonylContact O-C 3.43Å; L128-G131 PolarHBondContact O-N 3.35Å; Q129-G131 VanDerWaalsContact C-N 3.3Å; G131-F135 PolarHBondContact O-N 3.19Å
132F96.5Very high94.3Very high6 Ų648.6 Ų48.63%0.02626%0.263CS..Hα-helixtrans-64.2-40176.6176-97.4000112.5R37 T45 H46 I47 V94 D95 E96 G134 F135 S136R37-F132 VanDerWaalsContact NH1-CE1 3.25Å; T45-F132 HydrophobicContact CG2-CE1 3.62Å; T45-F132 HydrophobicContact CG2-CZ 3.8Å; T45-F132 WeakPolarHBondContact OG1-CZ 3.33Å; H46-F132 VanDerWaalsContact CA-CE2 3.46Å; I47-F132 HydrophobicContact CD1-CD2 4.32Å; I47-F132 HydrophobicContact CG1-CD2 3.87Å; I47-F132 HydrophobicContact CG1-CE2 3.97Å; V94-F132 HydrophobicContact CG1-CB 3.96Å; D95-F132 PolarHBondContact O-N 2.98Å; E96-F132 PolarHBondContact O-N 3.36Å; E96-F132 VanDerWaalsContact O-N 3.11Å; F132-G134 PolarHBondContact O-N 3.19Å; F132-F135 PolarHBondContact O-N 2.94Å; F132-S136 VanDerWaalsContact O-CB 3.31Å; F132-S136 WeakPolarHBondContact O-CB 3.38Å; F132-S136 PolarHBondContact O-N 3.41Å; F132-S136 PolarHBondContact O-OG 3.32Å
133E93.7Very high94.2Very high89 Ų8940.6 Ų40.642%0.41623%0.227SC..Hα-helixtrans-54.2-56.7-178.2-174.8174-16600110.1E96 F135 S136 E137E96-E133 WeakPolarHBondContact O-CB 3.34Å; E96-E133 PolarHBondContact O-N 3.33Å; E133-F135 VanDerWaalsContact C-N 3.31Å; E133-F135 PolarHBondContact O-N 2.88Å; E133-S136 PolarHBondContact O-N 3.4Å; E133-S136 PolarHBondContact O-OG 3.29Å; E133-E137 WeakPolarHBondContact O-CG 3.46Å; E133-E137 PolarHBondContact O-N 2.76Å; E133-E137 VanDerWaalsContact O-N 3.15Å
134G94.2Very high93.6Very high21 Ų2145 Ų4522%0.21624%0.242CC..Hα-helixtrans-64-32.5179.100000113.9N12 G130 F132 A138N12-G134 PolarHBondContact ND2-O 3.36Å; G130-G134 PolarHBondContact O-N 3.48Å; F132-G134 PolarHBondContact O-N 3.19Å; G134-A138 WeakPolarHBondContact O-CB 3.46Å; G134-A138 PolarHBondContact O-N 3.34Å
135F97.1Very high92.8Very high0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-70.3-45.3175.8-174.1-87.6000112.1N12 L15 V16 L19 I47 L128 G131 F132 E133 E137 A138 F139 L142N12-F135 HydrophobicContact CB-CD2 3.92Å; L15-F135 HydrophobicContact CB-CD2 4.5Å; L15-F135 HydrophobicContact CB-CE2 4.01Å; L15-F135 HydrophobicContact CD2-CD2 3.82Å; L15-F135 HydrophobicContact CD2-CE2 3.67Å; L15-F135 HydrophobicContact CD2-CZ 4.28Å; L15-F135 HydrophobicContact CG-CD2 4.41Å; L15-F135 HydrophobicContact CG-CE2 3.82Å; L15-F135 HydrophobicContact CG-CZ 4.4Å; V16-F135 HydrophobicContact CG2-CE2 3.89Å; V16-F135 HydrophobicContact CG2-CZ 4.06Å; L19-F135 HydrophobicContact CD1-CZ 3.97Å; I47-F135 HydrophobicContact CD1-CD1 3.7Å; I47-F135 HydrophobicContact CD1-CE1 4Å; I47-F135 HydrophobicContact CD1-CG 4.02Å; I47-F135 HydrophobicContact CG1-CD1 3.6Å; I47-F135 HydrophobicContact CG1-CE1 3.74Å; I47-F135 HydrophobicContact CG1-CG 4.41Å; I47-F135 HydrophobicContact CG2-CE1 4.24Å; L128-F135 HydrophobicContact CD2-CB 3.97Å; L128-F135 HydrophobicContact CD2-CD2 4.19Å; L128-F135 HydrophobicContact CD2-CG 4.28Å; G131-F135 PolarHBondContact O-N 3.19Å; F132-F135 PolarHBondContact O-N 2.94Å; E133-F135 VanDerWaalsContact C-N 3.31Å; E133-F135 PolarHBondContact O-N 2.88Å; F135-E137 VanDerWaalsContact C-N 3.32Å; F135-E137 PolarHBondContact O-N 3.05Å; F135-A138 PolarHBondContact O-N 3.18Å; F135-F139 HydrophobicContact CD2-CD2 4.19Å; F135-F139 HydrophobicContact CE1-CB 4.09Å; F135-F139 HydrophobicContact CE2-CD2 4.07Å; F135-F139 HydrophobicContact CZ-CB 4.11Å; F135-F139 HydrophobicContact CZ-CD2 4.46Å; F135-F139 PolarHBondContact O-N 2.69Å; F135-L142 HydrophobicContact CE1-CB 4.09Å; F135-L142 HydrophobicContact CZ-CB 4.23Å; F135-L142 HydrophobicContact CZ-CD1 4.18Å
136S94.1Very high90.5Very high24 Ų2447 Ų4717%0.16826%0.258CS..Hα-helixtrans-66.5-34.1-176.472.40000112.7F132 E133 P140F132-S136 VanDerWaalsContact O-CB 3.31Å; F132-S136 WeakPolarHBondContact O-CB 3.38Å; F132-S136 PolarHBondContact O-N 3.41Å; F132-S136 PolarHBondContact O-OG 3.32Å; E133-S136 PolarHBondContact O-N 3.4Å; E133-S136 PolarHBondContact O-OG 3.29Å; S136-P140 WeakPolarHBondContact O-CA 3.31Å
137E92Very high87.8Confident149 Ų14951.1 Ų51.170%0.69629%0.292SS*.Hα-helixtrans-67.8-42.5173.4-71.7-175.7164.400112E133 F135E133-E137 WeakPolarHBondContact O-CG 3.46Å; E133-E137 PolarHBondContact O-N 2.76Å; E133-E137 VanDerWaalsContact O-N 3.15Å; F135-E137 VanDerWaalsContact C-N 3.32Å; F135-E137 PolarHBondContact O-N 3.05Å
138A94.9Very high85.1Confident55 Ų5557.5 Ų57.546%0.45533%0.331SS..Hα-helixtrans-78.9-31.8-177.200000113.2G134 F135G134-A138 WeakPolarHBondContact O-CB 3.46Å; G134-A138 PolarHBondContact O-N 3.34Å; F135-A138 PolarHBondContact O-N 3.18Å
139F95.3Very high81.7Confident47 Ų4763.9 Ų63.921%0.20637%0.365CS..  trans-136.761.5-172.6-58.1-75.6000112.6N12 N13 V16 F135 D141 L142N12-F139 HydrophobicContact CB-CD2 4.03Å; N12-F139 HydrophobicContact CB-CE2 3.58Å; N13-F139 WeakPolarHBondContact OD1-CZ 3.17Å; V16-F139 HydrophobicContact CG2-CB 4.4Å; V16-F139 HydrophobicContact CG2-CD1 3.66Å; V16-F139 HydrophobicContact CG2-CD2 3.78Å; V16-F139 HydrophobicContact CG2-CE1 3.79Å; V16-F139 HydrophobicContact CG2-CE2 3.92Å; V16-F139 HydrophobicContact CG2-CG 3.65Å; V16-F139 HydrophobicContact CG2-CZ 3.92Å; F135-F139 HydrophobicContact CD2-CD2 4.19Å; F135-F139 HydrophobicContact CE1-CB 4.09Å; F135-F139 HydrophobicContact CE2-CD2 4.07Å; F135-F139 HydrophobicContact CZ-CB 4.11Å; F135-F139 HydrophobicContact CZ-CD2 4.46Å; F135-F139 PolarHBondContact O-N 2.69Å; F139-D141 PolarHBondContact O-N 3.32Å; F139-L142 HydrophobicContact CB-CB 4.49Å; F139-L142 HydrophobicContact CB-CD1 4.27Å; F139-L142 PolarHBondContact O-N 2.88Å; F139-L142 VanDerWaalsContact O-N 3.13Å
140P90.5Very high78.6Confident61 Ų6166 Ų6640%0.39638%0.384SS..G310 helixtrans-61.1-30.2-176.124.1-34.7000113.5S136 L142 C143 H145S136-P140 WeakPolarHBondContact O-CA 3.31Å; P140-L142 PolarHBondContact O-N 2.71Å; P140-C143 WeakPolarHBondContact O-CB 3.06Å; P140-C143 PolarHBondContact O-N 3.31Å; P140-C143 VanDerWaalsContact O-N 3.11Å; P140-H145 PolarHBondContact O-NE2 3.45Å
141D91.6Very high75.5Confident156 Ų15671.7 Ų71.783%0.83441%0.408SS*.G310 helixtrans-69.3-18.1-179.9-61.7-33.6000114F139 C143F139-D141 PolarHBondContact O-N 3.32Å; D141-C143 VanDerWaalsContact C-N 3.34Å
142L92Very high72.4Confident36 Ų3680.5 Ų80.519%0.18845%0.448CS..G310 helixtrans-96.35.3175.8-64.3176.5000112.3V16 C48 F135 F139 P140V16-L142 HydrophobicContact CB-CD1 4.23Å; V16-L142 HydrophobicContact CG1-CD1 3.93Å; V16-L142 HydrophobicContact CG2-CD1 3.6Å; C48-L142 PolarHBondContact N-O 3.14Å; C48-L142 PolarHBondContact SG-O 3.04Å; F135-L142 HydrophobicContact CE1-CB 4.09Å; F135-L142 HydrophobicContact CZ-CB 4.23Å; F135-L142 HydrophobicContact CZ-CD1 4.18Å; F139-L142 HydrophobicContact CB-CB 4.49Å; F139-L142 HydrophobicContact CB-CD1 4.27Å; F139-L142 PolarHBondContact O-N 2.88Å; F139-L142 VanDerWaalsContact O-N 3.13Å; P140-L142 PolarHBondContact O-N 2.71Å
143C87.6Confident69.6Low10 Ų1085.1 Ų85.17%0.06848%0.482CS..EExtended strand (participates in β ladder)trans-106.7133.9175.5-61.10000109.6H46 P140 D141 H145H46-C143 CarbonylContact O-C 3.55Å; H46-C143 VanDerWaalsContact O-CA 3.23Å; H46-C143 WeakPolarHBondContact O-CA 3.23Å; P140-C143 WeakPolarHBondContact O-CB 3.06Å; P140-C143 PolarHBondContact O-N 3.31Å; P140-C143 VanDerWaalsContact O-N 3.11Å; D141-C143 VanDerWaalsContact C-N 3.34Å; C143-H145 PolarHBondContact O-CD2 3.05Å; C143-H145 PolarHBondContact O-N 2.86Å
144Y78.1Confident66.7Low112 Ų11287 Ų8744%0.43950%0.499SS..EExtended strand (participates in β ladder)trans-68.5128.2159.9173.9-93000107.9T45 H46 C48 A146T45-Y144 CarbonylContact C-O 3.58Å; T45-Y144 WeakPolarHBondContact CA-O 3.24Å; T45-Y144 PolarHBondContact OG1-O 2.96Å; H46-Y144 AromaticContact CE1-CD1 3.19Å; H46-Y144 WeakPolarHBondContact CE1-CD1 3.24Å; H46-Y144 AromaticContact CE1-CE1 3.93Å; H46-Y144 AromaticContact CE1-CG 3.63Å; H46-Y144 PolarHBondContact N-O 3.02Å; H46-Y144 AromaticContact ND1-CD1 3.59Å; H46-Y144 PolarHBondContact O-N 3.4Å; C48-Y144 PolarHBondContact SG-N 3.01Å; C48-Y144 VanDerWaalsContact SG-N 3.36Å; Y144-A146 HydrophobicContact CE1-CB 4.05Å
145H75.5Confident63.4Low95 Ų9594.5 Ų94.544%0.4453%0.528SS..EExtended strand (participates in β ladder)trans-117.6125.3166.8-61.7-77.6000107.2T45 P140 C143 A147T45-H145 PolarHBondContact OG1-CE1 3.09Å; T45-H145 PolarHBondContact OG1-ND1 2.93Å; P140-H145 PolarHBondContact O-NE2 3.45Å; C143-H145 PolarHBondContact O-CD2 3.05Å; C143-H145 PolarHBondContact O-N 2.86Å; H145-A147 PolarHBondContact O-N 2.64Å
146A47.5Very low60.5Low40 Ų40100.4 Ų100.433%0.33157%0.567SS.*  trans-58.4115170.100000107.8T44 Y144 V148T44-A146 WeakPolarHBondContact O-CB 3.35Å; T44-A146 PolarHBondContact O-N 3.46Å; Y144-A146 HydrophobicContact CE1-CB 4.05Å; A146-V148 PolarHBondContact O-N 2.9Å
147A41.6Very low57.3Low86 Ų86107.5 Ų107.571%0.71160%0.597SS**  trans-54.4116.3-175.400000110.5H145 N149H145-A147 PolarHBondContact O-N 2.64Å; A147-N149 VanDerWaalsContact C-N 3.33Å; A147-N149 PolarHBondContact O-N 3Å; A147-N149 VanDerWaalsContact O-N 3.17Å
148V41.2Very low54.5Low134 Ų134105.3 Ų105.381%0.81260%0.596SS**  trans-76.394.4157.6-174.70000105.2A146 P150A146-V148 PolarHBondContact O-N 2.9Å; V148-P150 WeakPolarHBondContact O-CD 3.5Å; V148-P150 VanDerWaalsContact O-N 3.08Å
149N26.5Very low51.9Low133 Ų133111 Ų11171%0.71162%0.617SS**  trans-51.1114.7179.7-97.1-8.1000111.2A147A147-N149 VanDerWaalsContact C-N 3.33Å; A147-N149 PolarHBondContact O-N 3Å; A147-N149 VanDerWaalsContact O-N 3.17Å
150P32.2Very low49Very low106 Ų106114.5 Ų114.569%0.68864%0.642SS**  trans-87.9135.71609.911.6000108.1V148V148-P150 WeakPolarHBondContact O-CD 3.5Å; V148-P150 VanDerWaalsContact O-N 3.08Å
151L27.9Very low46.4Very low145 Ų145117.6 Ų117.676%0.75966%0.66SS**  trans91.597.3169.5-55.8144.9000117
152H31.1Very low43.7Very low185 Ų185114.1 Ų114.186%0.85666%0.661SS**  -127.4112.1104.4-93.4-76.1000108.4V154H152-V154 PolarHBondContact O-N 3.21Å
153S37.2Very low41Very low104 Ų104123.9 Ų123.973%0.72770%0.696SS**  trans-64.2109.4160.145.50000108.6
154V32Very low39.1Very low129 Ų129135.5 Ų135.578%0.78274%0.738SS**  trans-134.2137.2162.9-175.90000107.2H152H152-V154 PolarHBondContact O-N 3.21Å
155E25.4Very low37.4Very low177 Ų177132 Ų13283%0.82773%0.728SS**  trans-47.3160.3-174.3-71.2-173.2152.600115.8E157E155-E157 PolarHBondContact O-N 3.07Å
156P35.8Very low36Very low125 Ų125129.7 Ų129.781%0.81272%0.722SS**  trans-82.4114.5-170.531.9-30.2000112
157E27.1Very low36.2Very low172 Ų172131.2 Ų131.280%0.80473%0.734SS**  trans-141.2149168.3-87-76.1156.500109E155E155-E157 PolarHBondContact O-N 3.07Å
158P33.1Very low36.8Very low104 Ų104130.7 Ų130.768%0.67571%0.714SS**  -92157.1-92.233.2-31.2000112.8V160P158-V160 PolarHBondContact O-N 2.79Å; P158-V160 VanDerWaalsContact O-N 3.15Å
159I39.9Very low37.6Very low174 Ų174124.4 Ų124.489%0.89268%0.676SS**  trans-62.8111.6178.1-61.6166.1000109.9
160V35Very low39.1Very low121 Ų121123.6 Ų123.673%0.73367%0.668SS**  trans-131.8100.9157.5-172.60000109P158P158-V160 PolarHBondContact O-N 2.79Å; P158-V160 VanDerWaalsContact O-N 3.15Å
161T36.3Very low41.1Very low125 Ų125124.7 Ų124.777%0.76767%0.668SS**  trans49.175.9157.560.70000119.9R163T161-R163 PolarHBondContact O-N 3.43Å
162G35Very low43.5Very low84 Ų84119.5 Ų119.587%0.86665%0.65SS**SBend78.611.9116.100000122
163R35.6Very low46.4Very low241 Ų241111.3 Ų111.391%0.90961%0.613SS**  trans-138.9116.8165.5-74.1-175.9177.8175.6-1111.8T161T161-R163 PolarHBondContact O-N 3.43Å
164R46.8Very low49.1Very low253 Ų253108.1 Ų108.196%0.95559%0.589SS**PPolyproline II helixtrans-70.1133.9170.4-71-174.4178.1-161-0.8109.5
165T42.4Very low52Low39 Ų39106 Ų10624%0.23957%0.571CS.*PPolyproline II helixtrans-58.1131.3171.7-620000110.2D169 I186 R190T165-D169 HydrophobicContact CG2-CB 3.5Å; T165-D169 VanDerWaalsContact CG2-O 3.29Å; T165-D169 WeakPolarHBondContact CG2-O 3.5Å; T165-I186 HydrophobicContact CG2-CD1 3.62Å; T165-I186 HydrophobicContact CG2-CG2 3.98Å; T165-R190 PolarHBondContact OG1-NH2 3.38Å
166P45.8Very low55Low47 Ų4797.9 Ų97.931%0.30553%0.533SS..PPolyproline II helixtrans-54.3147.2176.3-24.633.6000112.1Y168 D169 Q170P166-Y168 HydrophobicContact CB-CD1 3.92Å; P166-Y168 HydrophobicContact CB-CD2 4.27Å; P166-Y168 HydrophobicContact CB-CE1 3.47Å; P166-Y168 VanDerWaalsContact CB-CE1 3.47Å; P166-Y168 HydrophobicContact CB-CE2 3.85Å; P166-Y168 HydrophobicContact CB-CG 4.31Å; P166-Y168 VanDerWaalsContact CB-CZ 3.43Å; P166-Y168 HydrophobicContact CG-CE1 4.34Å; P166-Y168 HydrophobicContact CG-CE2 4.3Å; P166-Y168 PolarHBondContact O-N 3.08Å; P166-Y168 VanDerWaalsContact O-N 3.13Å; P166-D169 WeakPolarHBondContact O-CA 3.18Å; P166-D169 PolarHBondContact O-N 3.44Å; P166-Q170 PolarHBondContact O-N 3.46Å
167A52.5Low57.3Low71 Ų7193.3 Ų93.359%0.58750%0.501SS*.G310 helixtrans-54-37.5-17600000113.5D169 Q170A167-D169 PolarHBondContact O-N 3.22Å; A167-Q170 WeakPolarHBondContact O-CB 3.49Å; A167-Q170 PolarHBondContact O-N 2.99Å
168Y55.1Low60.3Low75 Ų7589.5 Ų89.529%0.29449%0.492SS..G310 helixtrans-72.3-4.6178.159.9-106.1000114.9P166 R291 V293P166-Y168 HydrophobicContact CB-CD1 3.92Å; P166-Y168 HydrophobicContact CB-CD2 4.27Å; P166-Y168 HydrophobicContact CB-CE1 3.47Å; P166-Y168 VanDerWaalsContact CB-CE1 3.47Å; P166-Y168 HydrophobicContact CB-CE2 3.85Å; P166-Y168 HydrophobicContact CB-CG 4.31Å; P166-Y168 VanDerWaalsContact CB-CZ 3.43Å; P166-Y168 HydrophobicContact CG-CE1 4.34Å; P166-Y168 HydrophobicContact CG-CE2 4.3Å; P166-Y168 PolarHBondContact O-N 3.08Å; P166-Y168 VanDerWaalsContact O-N 3.13Å; Y168-R291 PolarHBondContact O-NH1 2.95Å; Y168-V293 HydrophobicContact CD1-CG1 3.81Å; Y168-V293 HydrophobicContact CD2-CG2 4.15Å; Y168-V293 HydrophobicContact CG-CB 4.49Å; Y168-V293 HydrophobicContact CG-CG1 3.82Å; Y168-V293 HydrophobicContact CG-CG2 4.13Å
169D56Low63.2Low3 Ų385.8 Ų85.82%0.01647%0.465CS..G310 helixtrans-116.98.3176.9-77.1-9000112.3T165 P166 A167 N171 S184 I186 H187 R190 R291T165-D169 HydrophobicContact CG2-CB 3.5Å; T165-D169 VanDerWaalsContact CG2-O 3.29Å; T165-D169 WeakPolarHBondContact CG2-O 3.5Å; P166-D169 WeakPolarHBondContact O-CA 3.18Å; P166-D169 PolarHBondContact O-N 3.44Å; A167-D169 PolarHBondContact O-N 3.22Å; D169-N171 VanDerWaalsContact C-N 3.33Å; D169-S184 PolarHBondContact OD1-OG 3.06Å; D169-S184 WeakPolarHBondContact OD2-CB 3.45Å; D169-S184 PolarHBondContact OD2-OG 2.8Å; D169-I186 HydrophobicContact CB-CD1 4.32Å; D169-H187 VanDerWaalsContact CA-NE2 3.35Å; D169-H187 WeakPolarHBondContact CA-NE2 3.45Å; D169-H187 IonicContact OD1-CE1 3.5Å; D169-H187 PolarHBondContact OD1-CE1 2.83Å; D169-H187 VanDerWaalsContact OD1-CE1 3.3Å; D169-H187 IonicContact OD1-NE2 3.61Å; D169-R190 PolarHBondContact O-NH1 2.84Å; D169-R291 IonicContact OD1-CZ 3.3Å; D169-R291 IonicContact OD1-NH1 3.7Å; D169-R291 IonicContact OD1-NH2 3.64Å; D169-R291 PolarHBondContact OD1-NH2 3.36Å
170Q59.1Low66Low115 Ų11577.5 Ų77.554%0.53742%0.422SS..SBendtrans-73.5-28.9175-69.4179.40.100111.9P166 A167P166-Q170 PolarHBondContact O-N 3.46Å; A167-Q170 WeakPolarHBondContact O-CB 3.49Å; A167-Q170 PolarHBondContact O-N 2.99Å
171N73.3Confident69Low129 Ų12972.1 Ų72.169%0.6939%0.389SS*.SBendtrans-88.2177.7173.3-64.3-31.7000111.5D169 H187D169-N171 VanDerWaalsContact C-N 3.33Å; N171-H187 PolarHBondContact O-CD2 3.48Å; N171-H187 PolarHBondContact O-NE2 3.39Å; N171-H187 VanDerWaalsContact O-NE2 3.09Å
172G79.6Confident72Confident36 Ų3666.1 Ų66.137%0.37135%0.353SS..PPolyproline II helixtrans-69.8173.5172.500000113.6
173P92.1Very high74.8Confident13 Ų1362.1 Ų62.18%0.08431%0.311CS..PPolyproline II helixtrans-60151.3170.430.2-36.3000110.2F181 L182 H187 T193 A197 L254P173-F181 HydrophobicContact CB-CB 4.35Å; P173-F181 HydrophobicContact CB-CD1 4.27Å; P173-F181 HydrophobicContact CG-CD1 4.1Å; P173-L182 WeakPolarHBondContact CA-O 3.42Å; P173-H187 HydrophobicContact CB-CB 4.23Å; P173-H187 HydrophobicContact CG-CB 4.49Å; P173-T193 HydrophobicContact CG-CG2 4.25Å; P173-A197 HydrophobicContact CG-CB 4.38Å; P173-L254 HydrophobicContact CB-CD1 3.54Å; P173-L254 HydrophobicContact CG-CD1 4.2Å
174V92.8Very high77.5Confident37 Ų3750.7 Ų50.722%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-90.5131.9-175.5-174.30000110.4L176 F181 L182 R290 R291V174-L176 PolarHBondContact O-N 3Å; V174-F181 CarbonylContact O-C 3.58Å; V174-F181 VanDerWaalsContact O-CA 3.3Å; V174-F181 WeakPolarHBondContact O-CA 3.42Å; V174-L182 PolarHBondContact N-O 3.45Å; V174-L182 PolarHBondContact O-N 3.4Å; V174-R290 HydrophobicContact CG1-CB 3.66Å; V174-R290 HydrophobicContact CG1-CG 4.28Å; V174-R291 HydrophobicContact CG2-CB 4.25Å
175E94.1Very high79.3Confident85 Ų8539.2 Ų39.240%0.39723%0.227SC..EExtended strand (participates in β ladder)trans-74.2118173.3-168172.7142.800110.4L177 P178 F181 R252 R290E175-L177 VanDerWaalsContact CG-O 3.26Å; E175-L177 WeakPolarHBondContact CG-O 3.2Å; E175-P178 WeakPolarHBondContact OE1-CA 3.4Å; E175-F181 HydrophobicContact CB-CD1 4.1Å; E175-F181 HydrophobicContact CB-CE1 3.53Å; E175-F181 HydrophobicContact CB-CE2 4.38Å; E175-F181 HydrophobicContact CB-CZ 3.68Å; E175-F181 HydrophobicContact CG-CE1 3.99Å; E175-F181 HydrophobicContact CG-CE2 3.94Å; E175-F181 HydrophobicContact CG-CZ 3.58Å; E175-F181 WeakPolarHBondContact OE2-CZ 3.46Å; E175-R252 IonicContact OE1-NH2 3.31Å; E175-R252 IonicContact OE2-NH2 2.86Å; E175-R252 PolarHBondContact OE2-NH2 3.03Å; E175-R290 WeakPolarHBondContact O-CD 3.44Å
176L88.4Confident81.3Confident6 Ų639.2 Ų39.23%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-92.7-46.1172.7-61.3-176.5000110.6V174 L180 L182 C268 F286 V287 R290V174-L176 PolarHBondContact O-N 3Å; L176-L180 HydrophobicContact CB-CD2 4.44Å; L176-L180 HydrophobicContact CB-CG 4.37Å; L176-L180 HydrophobicContact CD1-CD2 4.45Å; L176-L180 PolarHBondContact N-O 3.43Å; L176-L182 HydrophobicContact CD1-CB 3.9Å; L176-L182 HydrophobicContact CD1-CD2 4.44Å; L176-L182 HydrophobicContact CG-CB 4.16Å; L176-C268 HydrophobicContact CD1-CB 3.62Å; L176-F286 HydrophobicContact CB-CE1 4.25Å; L176-F286 WeakPolarHBondContact O-CE1 3.47Å; L176-F286 WeakPolarHBondContact O-CZ 3.18Å; L176-V287 HydrophobicContact CD1-CG1 4.36Å; L176-V287 HydrophobicContact CD1-CG2 4.11Å; L176-V287 HydrophobicContact CD2-CB 4.47Å; L176-V287 HydrophobicContact CD2-CG1 4.11Å; L176-V287 HydrophobicContact CD2-CG2 4.26Å; L176-R290 HydrophobicContact CD2-CB 4.01Å
177L83.1Confident83.5Confident29 Ų2937 Ų3715%0.15221%0.211CC..EExtended strand (participates in β ladder)trans-133.6164.5172.5-59.4173.1000108E175 F179 L180 Y271 L272 F286E175-L177 VanDerWaalsContact CG-O 3.26Å; E175-L177 WeakPolarHBondContact CG-O 3.2Å; L177-F179 HydrophobicContact CB-CD1 4.31Å; L177-F179 HydrophobicContact CB-CE1 3.95Å; L177-F179 HydrophobicContact CB-CZ 4.2Å; L177-F179 HydrophobicContact CD1-CE1 4.02Å; L177-F179 HydrophobicContact CD1-CE2 4.36Å; L177-F179 HydrophobicContact CD1-CZ 3.61Å; L177-F179 PolarHBondContact O-N 3.11Å; L177-L180 HydrophobicContact CB-CB 4.01Å; L177-L180 HydrophobicContact CD1-CD2 4.29Å; L177-L180 HydrophobicContact CG-CB 4.49Å; L177-L180 PolarHBondContact N-O 2.9Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-Y271 HydrophobicContact CD1-CE1 4.11Å; L177-L272 HydrophobicContact CD1-CD2 3.91Å; L177-L272 HydrophobicContact CD2-CD2 4.38Å; L177-L272 HydrophobicContact CG-CD2 4.2Å; L177-F286 HydrophobicContact CD2-CZ 4.46Å
178P90.8Very high85.4Confident92 Ų9233.7 Ų33.760%0.59718%0.184SC*.THydrogen-bonded Turntrans-49.5-27.7-178.6-3237.5000115.4E175 R252E175-P178 WeakPolarHBondContact OE1-CA 3.4Å; P178-R252 PolarHBondContact O-NE 3.13Å; P178-R252 PolarHBondContact O-NH2 3.31Å
179F94.6Very high87.1Confident26 Ų2632.2 Ų32.211%0.11418%0.184CC..THydrogen-bonded Turntrans-113.1-2.9-179.962.2-88.7000114.2L177 I243 K247 G251 R252 V253 Y271L177-F179 HydrophobicContact CB-CD1 4.31Å; L177-F179 HydrophobicContact CB-CE1 3.95Å; L177-F179 HydrophobicContact CB-CZ 4.2Å; L177-F179 HydrophobicContact CD1-CE1 4.02Å; L177-F179 HydrophobicContact CD1-CE2 4.36Å; L177-F179 HydrophobicContact CD1-CZ 3.61Å; L177-F179 PolarHBondContact O-N 3.11Å; F179-I243 HydrophobicContact CD2-CG2 4.32Å; F179-I243 HydrophobicContact CE2-CG2 3.92Å; F179-K247 HydrophobicContact CD1-CD 4.13Å; F179-K247 HydrophobicContact CD1-CG 3.84Å; F179-K247 HydrophobicContact CD2-CB 3.74Å; F179-K247 HydrophobicContact CD2-CD 4.22Å; F179-K247 HydrophobicContact CD2-CG 3.91Å; F179-K247 HydrophobicContact CE1-CD 3.68Å; F179-K247 VanDerWaalsContact CE1-CE 3.49Å; F179-K247 HydrophobicContact CE1-CG 3.94Å; F179-K247 HydrophobicContact CE2-CB 3.99Å; F179-K247 HydrophobicContact CE2-CD 3.78Å; F179-K247 HydrophobicContact CE2-CG 4Å; F179-K247 HydrophobicContact CG-CB 4.06Å; F179-K247 HydrophobicContact CG-CD 4.39Å; F179-K247 HydrophobicContact CG-CG 3.84Å; F179-K247 HydrophobicContact CZ-CD 3.49Å; F179-K247 VanDerWaalsContact CZ-CD 3.49Å; F179-K247 HydrophobicContact CZ-CG 4.02Å; F179-G251 WeakPolarHBondContact CB-O 3.05Å; F179-R252 CarbonylContact O-C 3.58Å; F179-R252 WeakPolarHBondContact O-CA 3.2Å; F179-V253 WeakPolarHBondContact O-CG1 3.49Å; F179-V253 PolarHBondContact O-N 3.42Å; F179-Y271 AromaticContact CE2-CE1 3.82Å; F179-Y271 HydrophobicContact CE2-CE1 3.82Å; F179-Y271 AromaticContact CE2-CZ 3.84Å; F179-Y271 WeakPolarHBondContact CE2-OH 3.47Å; F179-Y271 AromaticContact CZ-CE1 3.94Å; F179-Y271 HydrophobicContact CZ-CE1 3.94Å; F179-Y271 WeakPolarHBondContact CZ-OH 3.23Å
180L98Very high88.7Confident0 Ų036.1 Ų36.10%020%0.199CC..EExtended strand (participates in β ladder)trans-124.5119.2-171.9178.263000111.3L176 L177 I243 V253 V255 Y271L176-L180 HydrophobicContact CB-CD2 4.44Å; L176-L180 HydrophobicContact CB-CG 4.37Å; L176-L180 HydrophobicContact CD1-CD2 4.45Å; L176-L180 PolarHBondContact N-O 3.43Å; L177-L180 HydrophobicContact CB-CB 4.01Å; L177-L180 HydrophobicContact CD1-CD2 4.29Å; L177-L180 HydrophobicContact CG-CB 4.49Å; L177-L180 PolarHBondContact N-O 2.9Å; L177-L180 PolarHBondContact O-N 3.36Å; L180-I243 HydrophobicContact CD1-CD1 4.22Å; L180-I243 HydrophobicContact CD1-CG2 4.22Å; L180-V253 HydrophobicContact CD1-CG1 3.84Å; L180-V255 HydrophobicContact CD1-CG2 3.61Å; L180-Y271 HydrophobicContact CD2-CD1 3.6Å; L180-Y271 HydrophobicContact CD2-CE1 4.08Å; L180-Y271 HydrophobicContact CD2-CG 4.41Å
181F98.6Very high90.2Very high8 Ų836.2 Ų36.24%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-117.5147.6179.8-75.2-103.1000111.9P173 V174 E175 A197 I199 R252 V253 L254 V255P173-F181 HydrophobicContact CB-CB 4.35Å; P173-F181 HydrophobicContact CB-CD1 4.27Å; P173-F181 HydrophobicContact CG-CD1 4.1Å; V174-F181 CarbonylContact O-C 3.58Å; V174-F181 VanDerWaalsContact O-CA 3.3Å; V174-F181 WeakPolarHBondContact O-CA 3.42Å; E175-F181 HydrophobicContact CB-CD1 4.1Å; E175-F181 HydrophobicContact CB-CE1 3.53Å; E175-F181 HydrophobicContact CB-CE2 4.38Å; E175-F181 HydrophobicContact CB-CZ 3.68Å; E175-F181 HydrophobicContact CG-CE1 3.99Å; E175-F181 HydrophobicContact CG-CE2 3.94Å; E175-F181 HydrophobicContact CG-CZ 3.58Å; E175-F181 WeakPolarHBondContact OE2-CZ 3.46Å; F181-A197 HydrophobicContact CD1-CB 4.41Å; F181-A197 HydrophobicContact CE1-CB 4.03Å; F181-A197 HydrophobicContact CZ-CB 4.35Å; F181-I199 HydrophobicContact CB-CD1 4.12Å; F181-I199 HydrophobicContact CD2-CD1 3.67Å; F181-I199 HydrophobicContact CE2-CD1 4.26Å; F181-I199 HydrophobicContact CG-CD1 3.85Å; F181-R252 HydrophobicContact CE2-CB 4.49Å; F181-R252 VanDerWaalsContact CE2-NH2 3.28Å; F181-V253 PolarHBondContact N-O 3.38Å; F181-L254 HydrophobicContact CB-CD1 3.95Å; F181-V255 PolarHBondContact O-N 3.18Å
182L98.4Very high90.9Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-117.5130.5174.6174.261.1000110.6P173 V174 L176 S264 A265 V287 R291 I294P173-L182 WeakPolarHBondContact CA-O 3.42Å; V174-L182 PolarHBondContact N-O 3.45Å; V174-L182 PolarHBondContact O-N 3.4Å; L176-L182 HydrophobicContact CD1-CB 3.9Å; L176-L182 HydrophobicContact CD1-CD2 4.44Å; L176-L182 HydrophobicContact CG-CB 4.16Å; L182-S264 WeakPolarHBondContact CD1-OG 3.21Å; L182-A265 HydrophobicContact CD2-CB 4.28Å; L182-V287 HydrophobicContact CD2-CG1 3.71Å; L182-R291 HydrophobicContact CD2-CB 4.4Å; L182-I294 HydrophobicContact CD2-CG2 3.72Å
183G94.7Very high91.4Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-155.9-173.3178.500000115.5H187 V255 H256 G260G183-H187 VanDerWaalsContact CA-ND1 3.31Å; G183-H187 WeakPolarHBondContact CA-ND1 3.31Å; G183-V255 PolarHBondContact N-O 2.59Å; G183-H256 VanDerWaalsContact O-CA 3.31Å; G183-H256 WeakPolarHBondContact O-CA 3.27Å; G183-H256 WeakPolarHBondContact O-CB 3.33Å; G183-G260 WeakPolarHBondContact O-CA 3.46Å
184S90.7Very high91.5Very high0 Ų037.2 Ų37.20%019%0.186CC..  trans-106.5178.3176.377.70000111.7D169 I186 H187 S188 C257 A259D169-S184 PolarHBondContact OD1-OG 3.06Å; D169-S184 WeakPolarHBondContact OD2-CB 3.45Å; D169-S184 PolarHBondContact OD2-OG 2.8Å; S184-I186 PolarHBondContact O-N 2.75Å; S184-I186 PolarHBondContact OG-N 3.18Å; S184-H187 PolarHBondContact N-ND1 3.49Å; S184-H187 PolarHBondContact O-N 2.86Å; S184-H187 VanDerWaalsContact O-N 3.16Å; S184-S188 PolarHBondContact O-N 3.25Å; S184-C257 CarbonylContact C-O 3.42Å; S184-A259 VanDerWaalsContact CB-C 3.49Å
185A85.7Confident91.5Very high12 Ų1238.8 Ų38.810%0.09920%0.203CC..Hα-helixtrans-61.3-27.9176.500000112.4S188 S189 C209 C257 Q258A185-S188 WeakPolarHBondContact CA-OG 3.37Å; A185-S188 PolarHBondContact O-N 3.17Å; A185-S188 PolarHBondContact O-OG 2.83Å; A185-S189 WeakPolarHBondContact O-CB 3.46Å; A185-S189 PolarHBondContact O-N 2.91Å; A185-C209 HydrophobicContact CB-CB 4.17Å; A185-C257 PolarHBondContact N-O 2.76Å; A185-Q258 PolarHBondContact N-O 2.95Å; A185-Q258 VanDerWaalsContact N-O 3.13Å
186I84.6Confident91.4Very high40 Ų4039.1 Ų39.121%0.20522%0.22CC..Hα-helixtrans-69.1-41.8177.8-60.5176.6000110.2T165 D169 S184 S188 S189 R190T165-I186 HydrophobicContact CG2-CD1 3.62Å; T165-I186 HydrophobicContact CG2-CG2 3.98Å; D169-I186 HydrophobicContact CB-CD1 4.32Å; S184-I186 PolarHBondContact O-N 2.75Å; S184-I186 PolarHBondContact OG-N 3.18Å; I186-S188 VanDerWaalsContact C-N 3.32Å; I186-S188 PolarHBondContact O-N 3.12Å; I186-S189 PolarHBondContact O-N 3.24Å; I186-S189 PolarHBondContact O-OG 3.47Å; I186-R190 VanDerWaalsContact CG2-CZ 3.43Å; I186-R190 WeakPolarHBondContact O-CG 3.07Å
187H91.5Very high91.5Very high0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-64.3-40.4175.3-56.5155.8000111.1D169 N171 P173 G183 S184 S189 R190 L254D169-H187 VanDerWaalsContact CA-NE2 3.35Å; D169-H187 WeakPolarHBondContact CA-NE2 3.45Å; D169-H187 IonicContact OD1-CE1 3.5Å; D169-H187 PolarHBondContact OD1-CE1 2.83Å; D169-H187 VanDerWaalsContact OD1-CE1 3.3Å; D169-H187 IonicContact OD1-NE2 3.61Å; N171-H187 PolarHBondContact O-CD2 3.48Å; N171-H187 PolarHBondContact O-NE2 3.39Å; N171-H187 VanDerWaalsContact O-NE2 3.09Å; P173-H187 HydrophobicContact CB-CB 4.23Å; P173-H187 HydrophobicContact CG-CB 4.49Å; G183-H187 VanDerWaalsContact CA-ND1 3.31Å; G183-H187 WeakPolarHBondContact CA-ND1 3.31Å; S184-H187 PolarHBondContact N-ND1 3.49Å; S184-H187 PolarHBondContact O-N 2.86Å; S184-H187 VanDerWaalsContact O-N 3.16Å; H187-S189 VanDerWaalsContact C-N 3.25Å; H187-S189 PolarHBondContact O-N 3.06Å; H187-R190 PolarHBondContact O-N 3.48Å; H187-L254 HydrophobicContact CB-CD2 4.44Å
188S93.4Very high92.1Very high2 Ų239.7 Ų39.71%0.01423%0.233CC..Hα-helixtrans-69.5-20177.965.80000114.3S184 A185 I186 Y213 H256S184-S188 PolarHBondContact O-N 3.25Å; A185-S188 WeakPolarHBondContact CA-OG 3.37Å; A185-S188 PolarHBondContact O-N 3.17Å; A185-S188 PolarHBondContact O-OG 2.83Å; I186-S188 VanDerWaalsContact C-N 3.32Å; I186-S188 PolarHBondContact O-N 3.12Å; S188-Y213 WeakPolarHBondContact O-CE2 3.42Å; S188-H256 PolarHBondContact OG-CE1 3.15Å; S188-H256 PolarHBondContact OG-ND1 3.37Å
189S89.8Confident92.5Very high43 Ų4335.8 Ų35.830%0.30121%0.207SC..THydrogen-bonded Turntrans-92.3-2.5-178.975.90000113.7A185 I186 H187 Y213A185-S189 WeakPolarHBondContact O-CB 3.46Å; A185-S189 PolarHBondContact O-N 2.91Å; I186-S189 PolarHBondContact O-N 3.24Å; I186-S189 PolarHBondContact O-OG 3.47Å; H187-S189 VanDerWaalsContact C-N 3.25Å; H187-S189 PolarHBondContact O-N 3.06Å; S189-Y213 PolarHBondContact O-OH 2.81Å
190R90Very high92.7Very high85 Ų8537.6 Ų37.632%0.32122%0.221SC..  trans-110.2102.3-176.4-71.8178.6-177.9163.82.5110.4T165 D169 I186 H187 E192 T193 L194T165-R190 PolarHBondContact OG1-NH2 3.38Å; D169-R190 PolarHBondContact O-NH1 2.84Å; I186-R190 VanDerWaalsContact CG2-CZ 3.43Å; I186-R190 WeakPolarHBondContact O-CG 3.07Å; H187-R190 PolarHBondContact O-N 3.48Å; R190-E192 VanDerWaalsContact C-N 3.3Å; R190-E192 PolarHBondContact O-N 3.44Å; R190-T193 VanDerWaalsContact CB-OG1 3.31Å; R190-T193 WeakPolarHBondContact CB-OG1 3.38Å; R190-T193 WeakPolarHBondContact O-CB 3.42Å; R190-T193 PolarHBondContact O-N 2.96Å; R190-T193 VanDerWaalsContact O-N 3.09Å; R190-L194 PolarHBondContact O-N 3.48Å
191R89.7Confident92.7Very high117 Ų11737.6 Ų37.644%0.44222%0.221SC..Hα-helixtrans-52.3-45.9178.6178.5175.7-77.1-96.11.4112.7T193 L194 A195 Y213 E216R191-T193 VanDerWaalsContact C-N 3.3Å; R191-T193 PolarHBondContact O-N 2.97Å; R191-L194 PolarHBondContact O-N 3.32Å; R191-A195 WeakPolarHBondContact O-CB 2.98Å; R191-A195 PolarHBondContact O-N 3.42Å; R191-Y213 HydrophobicContact CB-CE1 4.05Å; R191-Y213 HydrophobicContact CB-CE2 4.39Å; R191-Y213 WeakPolarHBondContact CB-OH 3.11Å; R191-Y213 PolarHBondContact N-OH 2.99Å; R191-E216 IonicContact CZ-OE1 3.74Å; R191-E216 IonicContact CZ-OE2 3.15Å; R191-E216 IonicContact NH1-OE1 3.94Å; R191-E216 IonicContact NH1-OE2 2.64Å; R191-E216 PolarHBondContact NH1-OE2 3.01Å; R191-E216 IonicContact NH2-OE1 2.69Å; R191-E216 PolarHBondContact NH2-OE1 3.09Å; R191-E216 IonicContact NH2-OE2 2.8Å; R191-E216 PolarHBondContact NH2-OE2 3.26Å
192E89.1Confident92.7Very high168 Ų16837.2 Ų37.279%0.78522%0.219SC*.Hα-helixtrans-60.6-41.6179.8-67.8163-167.200111.7R190 A195 A196R190-E192 VanDerWaalsContact C-N 3.3Å; R190-E192 PolarHBondContact O-N 3.44Å; E192-A195 PolarHBondContact O-N 3.26Å; E192-A196 VanDerWaalsContact O-CB 3.24Å; E192-A196 WeakPolarHBondContact O-CB 3.32Å; E192-A196 PolarHBondContact O-N 3.42Å
193T89Confident92.7Very high26 Ų2637.2 Ų37.216%0.1622%0.219CC..Hα-helixtrans-64.4-42.9176.8-55.70000111.7P173 R190 R191 A197P173-T193 HydrophobicContact CG-CG2 4.25Å; R190-T193 VanDerWaalsContact CB-OG1 3.31Å; R190-T193 WeakPolarHBondContact CB-OG1 3.38Å; R190-T193 WeakPolarHBondContact O-CB 3.42Å; R190-T193 PolarHBondContact O-N 2.96Å; R190-T193 VanDerWaalsContact O-N 3.09Å; R191-T193 VanDerWaalsContact C-N 3.3Å; R191-T193 PolarHBondContact O-N 2.97Å; T193-A197 WeakPolarHBondContact O-CB 3.42Å; T193-A197 PolarHBondContact O-N 3.14Å; T193-A197 VanDerWaalsContact O-N 3.14Å
194L93.7Very high92.9Very high5 Ų537.2 Ų37.23%0.02622%0.219CC..Hα-helixtrans-65.2-43.7176-64.2176.9000111.6R190 R191 A197 G198 I199 Y213 L217 L254R190-L194 PolarHBondContact O-N 3.48Å; R191-L194 PolarHBondContact O-N 3.32Å; L194-A197 CarbonylContact O-C 3.34Å; L194-A197 PolarHBondContact O-N 3.1Å; L194-G198 PolarHBondContact O-N 3.2Å; L194-G198 VanDerWaalsContact O-N 3.09Å; L194-I199 HydrophobicContact CB-CB 4.21Å; L194-I199 HydrophobicContact CD2-CB 4.08Å; L194-I199 HydrophobicContact CD2-CG1 4.01Å; L194-I199 HydrophobicContact CD2-CG2 4.1Å; L194-I199 PolarHBondContact O-N 2.81Å; L194-Y213 HydrophobicContact CD1-CD2 3.5Å; L194-Y213 VanDerWaalsContact CD1-CD2 3.5Å; L194-Y213 HydrophobicContact CD1-CE2 3.51Å; L194-L217 HydrophobicContact CD1-CD1 3.74Å; L194-L254 HydrophobicContact CD2-CB 4.5Å; L194-L254 HydrophobicContact CD2-CD2 3.5Å
195A93.7Very high93.3Very high71 Ų7137.2 Ų37.259%0.58722%0.219SC*.Hα-helixtrans-66-45.1179.300000112.1R191 E192 A197 G198R191-A195 WeakPolarHBondContact O-CB 2.98Å; R191-A195 PolarHBondContact O-N 3.42Å; E192-A195 PolarHBondContact O-N 3.26Å; A195-A197 VanDerWaalsContact C-N 3.27Å; A195-A197 PolarHBondContact O-N 3.05Å; A195-G198 WeakPolarHBondContact O-CA 3.41Å; A195-G198 PolarHBondContact O-N 3.43Å
196A92.2Very high93.3Very high91 Ų9136.7 Ų36.775%0.75221%0.214SC*.Hα-helixtrans-62.3-35.3177.200000112.3E192 G198E192-A196 VanDerWaalsContact O-CB 3.24Å; E192-A196 WeakPolarHBondContact O-CB 3.32Å; E192-A196 PolarHBondContact O-N 3.42Å; A196-G198 VanDerWaalsContact C-N 3.27Å; A196-G198 PolarHBondContact O-N 2.84Å
197A90.8Very high93.3Very high13 Ų1336.8 Ų36.811%0.10722%0.219CC..THydrogen-bonded Turntrans-84.25.517300000113.2P173 F181 T193 L194 A195 I199 R252P173-A197 HydrophobicContact CG-CB 4.38Å; F181-A197 HydrophobicContact CD1-CB 4.41Å; F181-A197 HydrophobicContact CE1-CB 4.03Å; F181-A197 HydrophobicContact CZ-CB 4.35Å; T193-A197 WeakPolarHBondContact O-CB 3.42Å; T193-A197 PolarHBondContact O-N 3.14Å; T193-A197 VanDerWaalsContact O-N 3.14Å; L194-A197 CarbonylContact O-C 3.34Å; L194-A197 PolarHBondContact O-N 3.1Å; A195-A197 VanDerWaalsContact C-N 3.27Å; A195-A197 PolarHBondContact O-N 3.05Å; A197-I199 HydrophobicContact CB-CD1 4.13Å; A197-I199 HydrophobicContact CB-CG1 3.88Å; A197-I199 PolarHBondContact O-N 3.4Å; A197-R252 WeakPolarHBondContact O-CD 3.49Å; A197-R252 PolarHBondContact O-NH1 3.22Å
198G96.1Very high92.7Very high34 Ų3441.5 Ų41.535%0.35125%0.247SC..THydrogen-bonded Turntrans57.130.9178.700000113.9L194 A195 A196 T200 R252L194-G198 PolarHBondContact O-N 3.2Å; L194-G198 VanDerWaalsContact O-N 3.09Å; A195-G198 WeakPolarHBondContact O-CA 3.41Å; A195-G198 PolarHBondContact O-N 3.43Å; A196-G198 VanDerWaalsContact C-N 3.27Å; A196-G198 PolarHBondContact O-N 2.84Å; G198-T200 PolarHBondContact O-N 3.08Å; G198-R252 WeakPolarHBondContact O-CB 3.31Å; G198-R252 WeakPolarHBondContact O-CD 3.41Å; G198-R252 WeakPolarHBondContact O-CG 3.37Å
199I98.3Very high92.2Very high10 Ų1041.6 Ų41.65%0.05125%0.248CC..  trans-69.9126.3-177.3-59.1-58.5000109.6F181 L194 A197 A201 V202 L217 R252 L254F181-I199 HydrophobicContact CB-CD1 4.12Å; F181-I199 HydrophobicContact CD2-CD1 3.67Å; F181-I199 HydrophobicContact CE2-CD1 4.26Å; F181-I199 HydrophobicContact CG-CD1 3.85Å; L194-I199 HydrophobicContact CB-CB 4.21Å; L194-I199 HydrophobicContact CD2-CB 4.08Å; L194-I199 HydrophobicContact CD2-CG1 4.01Å; L194-I199 HydrophobicContact CD2-CG2 4.1Å; L194-I199 PolarHBondContact O-N 2.81Å; A197-I199 HydrophobicContact CB-CD1 4.13Å; A197-I199 HydrophobicContact CB-CG1 3.88Å; A197-I199 PolarHBondContact O-N 3.4Å; I199-A201 WeakPolarHBondContact CG2-O 3.18Å; I199-V202 HydrophobicContact CG2-CG2 4.09Å; I199-L217 VanDerWaalsContact O-CD2 3.24Å; I199-L217 WeakPolarHBondContact O-CD2 2.98Å; I199-R252 HydrophobicContact CD1-CB 4.24Å; I199-L254 HydrophobicContact CD1-CB 4.08Å; I199-L254 HydrophobicContact CG1-CB 4.27Å; I199-L254 HydrophobicContact CG2-CB 3.97Å
200T98.4Very high92Very high65 Ų6542.7 Ų42.740%0.39925%0.254SS..  trans-108.5-17.9176.661.20000112.1G198 Q218 G251 R252G198-T200 PolarHBondContact O-N 3.08Å; T200-Q218 PolarHBondContact O-N 2.82Å; T200-Q218 VanDerWaalsContact O-N 3.11Å; T200-G251 WeakPolarHBondContact OG1-CA 3.43Å; T200-R252 PolarHBondContact N-O 2.8Å; T200-R252 PolarHBondContact OG1-N 3.44Å; T200-R252 PolarHBondContact OG1-O 3.14Å
201A98.8Very high92.2Very high0 Ų039.8 Ų39.80%025%0.245CC..EExtended strand (participates in β ladder)trans-143.1151.9-179.900000112.7I199 Q218 F242 V246 R252 V253 L254I199-A201 WeakPolarHBondContact CG2-O 3.18Å; A201-Q218 CarbonylContact C-O 3.6Å; A201-Q218 WeakPolarHBondContact CA-O 3.13Å; A201-Q218 HydrophobicContact CB-CB 3.96Å; A201-Q218 WeakPolarHBondContact CB-O 3.39Å; A201-F242 HydrophobicContact CB-CE1 4.26Å; A201-F242 HydrophobicContact CB-CZ 4.01Å; A201-V246 HydrophobicContact CB-CB 4.33Å; A201-V246 HydrophobicContact CB-CG1 3.91Å; A201-V246 HydrophobicContact CB-CG2 3.43Å; A201-V246 VanDerWaalsContact CB-CG2 3.43Å; A201-R252 PolarHBondContact N-O 3.48Å; A201-R252 VanDerWaalsContact N-O 3.11Å; A201-V253 HydrophobicContact CB-CB 4.37Å; A201-V253 HydrophobicContact CB-CG2 4.35Å; A201-V253 CarbonylContact O-C 3.49Å; A201-V253 VanDerWaalsContact O-CA 3.28Å; A201-V253 WeakPolarHBondContact O-CA 3.35Å; A201-L254 PolarHBondContact O-N 3.4Å
202V98.8Very high92.2Very high0 Ų039.1 Ų39.10%025%0.246CC..EExtended strand (participates in β ladder)trans-130.5124.2179.8-177.60000110.2I199 L217 Q218 Y219 L220 L254 H256I199-V202 HydrophobicContact CG2-CG2 4.09Å; V202-L217 HydrophobicContact CG2-CD1 3.92Å; V202-Q218 PolarHBondContact N-O 3.47Å; V202-Y219 HydrophobicContact CB-CD1 3.72Å; V202-Y219 HydrophobicContact CB-CE1 3.42Å; V202-Y219 VanDerWaalsContact CB-CE1 3.42Å; V202-Y219 HydrophobicContact CB-CE2 4.5Å; V202-Y219 HydrophobicContact CB-CG 4.39Å; V202-Y219 HydrophobicContact CG1-CD1 4.04Å; V202-Y219 HydrophobicContact CG1-CE1 3.56Å; V202-Y219 HydrophobicContact CG2-CE1 4.03Å; V202-Y219 WeakPolarHBondContact O-CA 3.14Å; V202-L220 PolarHBondContact O-N 3.24Å; V202-L254 CarbonylContact C-O 3.56Å; V202-L254 WeakPolarHBondContact CA-O 3.45Å; V202-H256 WeakPolarHBondContact CG1-CD2 3.38Å
203L98.8Very high92.5Very high0 Ų032.8 Ų32.80%022%0.215CC..EExtended strand (participates in β ladder)trans-100.5103.6171.5-179.359.1000109.4V205 L220 L222 A239 F242 I243 V253 L254 V255 H256 I267L203-V205 HydrophobicContact CG-CG2 4.21Å; L203-L220 CarbonylContact C-O 3.6Å; L203-L220 WeakPolarHBondContact CA-O 3.36Å; L203-L220 HydrophobicContact CD1-CB 3.7Å; L203-L220 HydrophobicContact CD1-CD2 3.51Å; L203-L220 HydrophobicContact CD1-CG 3.52Å; L203-L222 HydrophobicContact CD1-CD1 3.83Å; L203-L222 HydrophobicContact CD1-CG 4.01Å; L203-L222 HydrophobicContact CD2-CD1 4.47Å; L203-L222 HydrophobicContact CG-CD1 4.46Å; L203-A239 HydrophobicContact CD2-CB 3.92Å; L203-F242 HydrophobicContact CB-CD1 4.19Å; L203-F242 HydrophobicContact CB-CE1 4.03Å; L203-F242 HydrophobicContact CD1-CD1 4.23Å; L203-I243 HydrophobicContact CD2-CD1 4.18Å; L203-I243 HydrophobicContact CD2-CG1 4.27Å; L203-V253 HydrophobicContact CB-CG2 4.19Å; L203-L254 PolarHBondContact N-O 3.48Å; L203-V255 HydrophobicContact CB-CB 4.44Å; L203-V255 HydrophobicContact CB-CG1 4.33Å; L203-V255 HydrophobicContact CB-CG2 4.12Å; L203-V255 HydrophobicContact CD2-CG1 4Å; L203-V255 HydrophobicContact CD2-CG2 4.02Å; L203-V255 HydrophobicContact CG-CG1 4.2Å; L203-V255 WeakPolarHBondContact O-CA 3.43Å; L203-H256 PolarHBondContact O-N 3.26Å; L203-I267 HydrophobicContact CD2-CG2 3.79Å
204N98.3Very high92.5Very high0 Ų037.8 Ų37.80%024%0.237CC..EExtended strand (participates in β ladder)trans-92.5107.5-179.2-176.8-10.1000110.8S206 C209 N211 L220 R221 L222 H256N204-S206 VanDerWaalsContact C-N 3.32Å; N204-S206 PolarHBondContact O-N 2.96Å; N204-S206 WeakPolarHBondContact OD1-CB 3.31Å; N204-S206 PolarHBondContact OD1-N 3.17Å; N204-S206 VanDerWaalsContact OD1-N 3.15Å; N204-S206 PolarHBondContact OD1-OG 3.08Å; N204-C209 PolarHBondContact ND2-O 3.46Å; N204-N211 PolarHBondContact ND2-OD1 3.01Å; N204-L220 PolarHBondContact N-O 3.07Å; N204-R221 PolarHBondContact ND2-NH1 3.43Å; N204-R221 PolarHBondContact ND2-NH2 3.02Å; N204-R221 VanDerWaalsContact ND2-NH2 3.17Å; N204-R221 CarbonylContact O-C 3.58Å; N204-R221 WeakPolarHBondContact O-CA 3.37Å; N204-L222 PolarHBondContact O-N 3.41Å; N204-H256 WeakPolarHBondContact CB-NE2 3.27Å
205V98Very high92.4Very high0 Ų041.6 Ų41.60%028%0.277CS..  trans-9855.5179.9-159.40000109.8L203 L222 V224 I232 V255 H256 C257 R263 I267L203-V205 HydrophobicContact CG-CG2 4.21Å; V205-L222 CarbonylContact C-O 3.58Å; V205-L222 WeakPolarHBondContact CA-O 3.45Å; V205-L222 HydrophobicContact CG1-CB 4.33Å; V205-V224 HydrophobicContact CG1-CB 4.36Å; V205-I232 HydrophobicContact CG1-CD1 4.24Å; V205-V255 HydrophobicContact CG2-CG1 3.89Å; V205-H256 PolarHBondContact N-O 3.02Å; V205-C257 HydrophobicContact CB-CB 4.41Å; V205-C257 WeakPolarHBondContact O-CB 3.46Å; V205-R263 HydrophobicContact CB-CB 4.22Å; V205-R263 HydrophobicContact CG1-CB 3.85Å; V205-R263 VanDerWaalsContact O-CD 3.31Å; V205-R263 WeakPolarHBondContact O-CD 3.24Å; V205-R263 PolarHBondContact O-NE 2.8Å; V205-I267 HydrophobicContact CG1-CG1 4.01Å; V205-I267 HydrophobicContact CG2-CG1 3.86Å
206S86.8Confident92.5Very high0 Ų044.1 Ų44.10%028%0.276CS..  trans-150.6152.4176.577.60000112.2N204 C209 R221 L222N204-S206 VanDerWaalsContact C-N 3.32Å; N204-S206 PolarHBondContact O-N 2.96Å; N204-S206 WeakPolarHBondContact OD1-CB 3.31Å; N204-S206 PolarHBondContact OD1-N 3.17Å; N204-S206 VanDerWaalsContact OD1-N 3.15Å; N204-S206 PolarHBondContact OD1-OG 3.08Å; S206-C209 WeakPolarHBondContact OG-CB 3.41Å; S206-C209 PolarHBondContact OG-N 3.31Å; S206-C209 VanDerWaalsContact OG-N 3.08Å; S206-C209 PolarHBondContact OG-SG 2.82Å; S206-R221 PolarHBondContact O-NH1 2.59Å; S206-L222 PolarHBondContact N-O 3.45Å
207S83.8Confident92.7Very high43 Ų4341.4 Ų41.430%0.30125%0.249SC..SBendtrans-77.8-35.3169.2490000112.5R221 E225S207-R221 PolarHBondContact O-NH1 3.31Å; S207-E225 WeakPolarHBondContact CB-OE1 3.47Å; S207-E225 PolarHBondContact OG-OE1 2.94Å; S207-E225 PolarHBondContact OG-OE2 3.48Å
208T80.3Confident93.1Very high98 Ų9845.3 Ų45.360%0.60127%0.265SS*.SBendtrans-104.1-25.9-165.853.30000115.1
209C82.1Confident93.2Very high4 Ų445.6 Ų45.63%0.02726%0.256CS..SBendtrans-74.3132-178.8-48.20000109.6A185 N204 S206 R221 Q258A185-C209 HydrophobicContact CB-CB 4.17Å; N204-C209 PolarHBondContact ND2-O 3.46Å; S206-C209 WeakPolarHBondContact OG-CB 3.41Å; S206-C209 PolarHBondContact OG-N 3.31Å; S206-C209 VanDerWaalsContact OG-N 3.08Å; S206-C209 PolarHBondContact OG-SG 2.82Å; C209-R221 PolarHBondContact O-NH1 3.26Å; C209-R221 PolarHBondContact O-NH2 3.25Å; C209-Q258 PolarHBondContact SG-OE1 2.86Å
210P84.7Confident93.2Very high67 Ų6746.9 Ų46.944%0.43526%0.263SS..  trans-74.6161178.831.8-36.2000112.3F212P210-F212 HydrophobicContact CG-CD1 4.48Å; P210-F212 HydrophobicContact CG-CD2 4.22Å; P210-F212 HydrophobicContact CG-CE1 3.85Å; P210-F212 HydrophobicContact CG-CE2 3.54Å; P210-F212 HydrophobicContact CG-CZ 3.34Å
211N93.8Very high93.2Very high24 Ų2447.6 Ų47.613%0.12826%0.258CS..  trans-94.6114.7167.2-65.5-13.7000107.3N204 E214 Y219 R221N204-N211 PolarHBondContact ND2-OD1 3.01Å; N211-E214 HydrophobicContact CB-CG 3.51Å; N211-E214 WeakPolarHBondContact CB-OE1 3.44Å; N211-E214 PolarHBondContact ND2-OE1 2.86Å; N211-Y219 HydrophobicContact CB-CD1 3.66Å; N211-Y219 HydrophobicContact CB-CE1 3.55Å; N211-Y219 HydrophobicContact CB-CE2 4.48Å; N211-Y219 HydrophobicContact CB-CG 4.18Å; N211-Y219 WeakPolarHBondContact OD1-CD1 3.4Å; N211-R221 PolarHBondContact OD1-NH2 3.42Å; N211-R221 VanDerWaalsContact OD1-NH2 3.13Å
212F90.6Very high93.1Very high103 Ų10348.2 Ų48.245%0.45226%0.262SS..SBendtrans-86.4-22.7-169.4-72.7-81.3000114.7P210P210-F212 HydrophobicContact CG-CD1 4.48Å; P210-F212 HydrophobicContact CG-CD2 4.22Å; P210-F212 HydrophobicContact CG-CE1 3.85Å; P210-F212 HydrophobicContact CG-CE2 3.54Å; P210-F212 HydrophobicContact CG-CZ 3.34Å
213Y95Very high92.9Very high35 Ų3553.3 Ų53.314%0.13729%0.293CS..  trans-129.237.4-168.5-50.6-62.3000112.1S188 S189 R191 L194 E216 L217 Y219S188-Y213 WeakPolarHBondContact O-CE2 3.42Å; S189-Y213 PolarHBondContact O-OH 2.81Å; R191-Y213 HydrophobicContact CB-CE1 4.05Å; R191-Y213 HydrophobicContact CB-CE2 4.39Å; R191-Y213 WeakPolarHBondContact CB-OH 3.11Å; R191-Y213 PolarHBondContact N-OH 2.99Å; L194-Y213 HydrophobicContact CD1-CD2 3.5Å; L194-Y213 VanDerWaalsContact CD1-CD2 3.5Å; L194-Y213 HydrophobicContact CD1-CE2 3.51Å; Y213-E216 PolarHBondContact O-N 3.22Å; Y213-E216 VanDerWaalsContact O-N 3.15Å; Y213-L217 HydrophobicContact CD2-CD1 4.25Å; Y213-L217 PolarHBondContact O-N 2.97Å; Y213-Y219 PolarHBondContact N-OH 3.45Å
214E90.4Very high92.5Very high131 Ų13153.7 Ų53.761%0.61230%0.295SS*.BIsolated β-bridgetrans-60.4137174.5-63.1-173138.400110.2N211 E216 Y219N211-E214 HydrophobicContact CB-CG 3.51Å; N211-E214 WeakPolarHBondContact CB-OE1 3.44Å; N211-E214 PolarHBondContact ND2-OE1 2.86Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-Y219 HydrophobicContact CG-CD2 4.03Å; E214-Y219 HydrophobicContact CG-CE2 4.29Å; E214-Y219 HydrophobicContact CG-CG 4.42Å
215G91.4Very high91.6Very high85 Ų8558.2 Ų58.288%0.87632%0.316SS*.THydrogen-bonded Turntrans91.8-19.8-172.500000114.3
216E94.6Very high90.8Very high123 Ų12361.4 Ų61.458%0.57533%0.333SS*.THydrogen-bonded Turntrans-109.1-38.5176.5-63.3-178.8-125.200112.7R191 Y213 E214R191-E216 IonicContact CZ-OE1 3.74Å; R191-E216 IonicContact CZ-OE2 3.15Å; R191-E216 IonicContact NH1-OE1 3.94Å; R191-E216 IonicContact NH1-OE2 2.64Å; R191-E216 PolarHBondContact NH1-OE2 3.01Å; R191-E216 IonicContact NH2-OE1 2.69Å; R191-E216 PolarHBondContact NH2-OE1 3.09Å; R191-E216 IonicContact NH2-OE2 2.8Å; R191-E216 PolarHBondContact NH2-OE2 3.26Å; Y213-E216 PolarHBondContact O-N 3.22Å; Y213-E216 VanDerWaalsContact O-N 3.15Å; E214-E216 VanDerWaalsContact C-N 3.32Å
217L97.4Very high90.2Very high34 Ų3464.2 Ų64.218%0.17835%0.35CS..BIsolated β-bridgetrans-111.7151.2173.6-57.4176.2000109.9L194 I199 V202 Y213 Y219L194-L217 HydrophobicContact CD1-CD1 3.74Å; I199-L217 VanDerWaalsContact O-CD2 3.24Å; I199-L217 WeakPolarHBondContact O-CD2 2.98Å; V202-L217 HydrophobicContact CG2-CD1 3.92Å; Y213-L217 HydrophobicContact CD2-CD1 4.25Å; Y213-L217 PolarHBondContact O-N 2.97Å; L217-Y219 HydrophobicContact CB-CD2 4.27Å; L217-Y219 HydrophobicContact CB-CE2 3.8Å; L217-Y219 WeakPolarHBondContact O-CD2 3.44Å
218Q98.2Very high89.3Confident96 Ų9667.7 Ų67.745%0.44937%0.365SS..EExtended strand (participates in β ladder)trans-74.7129.4170.7-177-177.8-1800109.7T200 A201 V202 F242T200-Q218 PolarHBondContact O-N 2.82Å; T200-Q218 VanDerWaalsContact O-N 3.11Å; A201-Q218 CarbonylContact C-O 3.6Å; A201-Q218 WeakPolarHBondContact CA-O 3.13Å; A201-Q218 HydrophobicContact CB-CB 3.96Å; A201-Q218 WeakPolarHBondContact CB-O 3.39Å; V202-Q218 PolarHBondContact N-O 3.47Å; Q218-F242 HydrophobicContact CG-CE2 3.89Å; Q218-F242 HydrophobicContact CG-CZ 4.17Å; Q218-F242 VanDerWaalsContact NE2-CE2 3.31Å
219Y98.4Very high89.1Confident39 Ų3969.5 Ų69.515%0.15338%0.376CS..EExtended strand (participates in β ladder)trans-115.8145.2178.8-83-95.8000112.6V202 N211 Y213 E214 L217V202-Y219 HydrophobicContact CB-CD1 3.72Å; V202-Y219 HydrophobicContact CB-CE1 3.42Å; V202-Y219 VanDerWaalsContact CB-CE1 3.42Å; V202-Y219 HydrophobicContact CB-CE2 4.5Å; V202-Y219 HydrophobicContact CB-CG 4.39Å; V202-Y219 HydrophobicContact CG1-CD1 4.04Å; V202-Y219 HydrophobicContact CG1-CE1 3.56Å; V202-Y219 HydrophobicContact CG2-CE1 4.03Å; V202-Y219 WeakPolarHBondContact O-CA 3.14Å; N211-Y219 HydrophobicContact CB-CD1 3.66Å; N211-Y219 HydrophobicContact CB-CE1 3.55Å; N211-Y219 HydrophobicContact CB-CE2 4.48Å; N211-Y219 HydrophobicContact CB-CG 4.18Å; N211-Y219 WeakPolarHBondContact OD1-CD1 3.4Å; Y213-Y219 PolarHBondContact N-OH 3.45Å; E214-Y219 HydrophobicContact CG-CD2 4.03Å; E214-Y219 HydrophobicContact CG-CE2 4.29Å; E214-Y219 HydrophobicContact CG-CG 4.42Å; L217-Y219 HydrophobicContact CB-CD2 4.27Å; L217-Y219 HydrophobicContact CB-CE2 3.8Å; L217-Y219 WeakPolarHBondContact O-CD2 3.44Å
220L98.5Very high89.2Confident38 Ų3870.2 Ų70.220%0.19938%0.382CS..EExtended strand (participates in β ladder)trans-129131.6156.7171.263.9000108.1V202 L203 N204 L222 T238 F242V202-L220 PolarHBondContact O-N 3.24Å; L203-L220 CarbonylContact C-O 3.6Å; L203-L220 WeakPolarHBondContact CA-O 3.36Å; L203-L220 HydrophobicContact CD1-CB 3.7Å; L203-L220 HydrophobicContact CD1-CD2 3.51Å; L203-L220 HydrophobicContact CD1-CG 3.52Å; N204-L220 PolarHBondContact N-O 3.07Å; L220-L222 HydrophobicContact CD1-CD2 4.44Å; L220-L222 HydrophobicContact CD2-CD2 4.3Å; L220-L222 HydrophobicContact CG-CD2 4.34Å; L220-L222 HydrophobicContact CG-CG 4.43Å; L220-T238 HydrophobicContact CD2-CG2 4.06Å; L220-F242 HydrophobicContact CB-CD1 4.05Å; L220-F242 HydrophobicContact CB-CD2 3.55Å; L220-F242 HydrophobicContact CB-CE1 4.01Å; L220-F242 HydrophobicContact CB-CE2 3.48Å; L220-F242 VanDerWaalsContact CB-CE2 3.48Å; L220-F242 HydrophobicContact CB-CG 3.82Å; L220-F242 HydrophobicContact CB-CZ 3.73Å; L220-F242 HydrophobicContact CD2-CB 3.47Å; L220-F242 VanDerWaalsContact CD2-CB 3.47Å; L220-F242 HydrophobicContact CD2-CD1 4.2Å; L220-F242 HydrophobicContact CD2-CD2 3.92Å; L220-F242 HydrophobicContact CD2-CG 3.62Å; L220-F242 HydrophobicContact CG-CD2 4.33Å; L220-F242 HydrophobicContact CG-CG 4.35Å
221R98.1Very high89.6Confident79 Ų7971.7 Ų71.730%0.29839%0.386SS..EExtended strand (participates in β ladder)trans-107.7129.4172.3-179.4-179.2-68.8-95.80.5110.2N204 S206 S207 C209 N211 T223N204-R221 PolarHBondContact ND2-NH1 3.43Å; N204-R221 PolarHBondContact ND2-NH2 3.02Å; N204-R221 VanDerWaalsContact ND2-NH2 3.17Å; N204-R221 CarbonylContact O-C 3.58Å; N204-R221 WeakPolarHBondContact O-CA 3.37Å; S206-R221 PolarHBondContact O-NH1 2.59Å; S207-R221 PolarHBondContact O-NH1 3.31Å; C209-R221 PolarHBondContact O-NH1 3.26Å; C209-R221 PolarHBondContact O-NH2 3.25Å; N211-R221 PolarHBondContact OD1-NH2 3.42Å; N211-R221 VanDerWaalsContact OD1-NH2 3.13Å; R221-T223 HydrophobicContact CG-CG2 4.07Å
222L97.3Very high89.7Confident14 Ų1470.5 Ų70.57%0.07338%0.38CS..  trans-113.7106.3169.8-59.5174.3000107.8L203 N204 V205 S206 L220 V224 C235 T238 A239 I267L203-L222 HydrophobicContact CD1-CD1 3.83Å; L203-L222 HydrophobicContact CD1-CG 4.01Å; L203-L222 HydrophobicContact CD2-CD1 4.47Å; L203-L222 HydrophobicContact CG-CD1 4.46Å; N204-L222 PolarHBondContact O-N 3.41Å; V205-L222 CarbonylContact C-O 3.58Å; V205-L222 WeakPolarHBondContact CA-O 3.45Å; V205-L222 HydrophobicContact CG1-CB 4.33Å; S206-L222 PolarHBondContact N-O 3.45Å; L220-L222 HydrophobicContact CD1-CD2 4.44Å; L220-L222 HydrophobicContact CD2-CD2 4.3Å; L220-L222 HydrophobicContact CG-CD2 4.34Å; L220-L222 HydrophobicContact CG-CG 4.43Å; L222-V224 VanDerWaalsContact C-N 3.33Å; L222-V224 HydrophobicContact CB-CG2 4.44Å; L222-V224 PolarHBondContact O-N 2.86Å; L222-C235 HydrophobicContact CD1-CB 3.95Å; L222-C235 HydrophobicContact CD2-CB 4.16Å; L222-C235 HydrophobicContact CG-CB 4.45Å; L222-T238 HydrophobicContact CD2-CG2 4.24Å; L222-A239 HydrophobicContact CD1-CB 3.85Å; L222-I267 HydrophobicContact CD1-CD1 4.39Å
223T93.5Very high90Very high107 Ų10770 Ų7066%0.65638%0.375SS*.  trans-77.483.8-177.251.20000110.4R221R221-T223 HydrophobicContact CG-CG2 4.07Å
224V90.2Very high90.1Very high8 Ų871.6 Ų71.65%0.04840%0.395CS..  trans-122.7127.9-179.9-176.50000109.7V205 L222 A230 I232 R263 F300V205-V224 HydrophobicContact CG1-CB 4.36Å; L222-V224 VanDerWaalsContact C-N 3.33Å; L222-V224 HydrophobicContact CB-CG2 4.44Å; L222-V224 PolarHBondContact O-N 2.86Å; V224-A230 HydrophobicContact CG1-CB 4.15Å; V224-I232 HydrophobicContact CG1-CB 3.94Å; V224-I232 HydrophobicContact CG1-CD1 4.05Å; V224-I232 HydrophobicContact CG1-CG1 3.96Å; V224-I232 HydrophobicContact CG2-CG1 4.35Å; V224-R263 WeakPolarHBondContact O-CD 3.29Å; V224-R263 PolarHBondContact O-NH1 3.22Å; V224-F300 HydrophobicContact CG1-CZ 3.99Å
225E81.2Confident90.5Very high94 Ų9466.5 Ų66.544%0.43937%0.374SS..  trans-82.2147.4171.7-66.4-60.1161.900111.2S207 T227 A230 F300S207-E225 WeakPolarHBondContact CB-OE1 3.47Å; S207-E225 PolarHBondContact OG-OE1 2.94Å; S207-E225 PolarHBondContact OG-OE2 3.48Å; E225-T227 HydrophobicContact CB-CG2 3.98Å; E225-T227 PolarHBondContact O-N 3.05Å; E225-A230 VanDerWaalsContact O-CB 3.23Å; E225-A230 WeakPolarHBondContact O-CB 3.24Å; E225-F300 WeakPolarHBondContact O-CZ 3.48Å
226D79.8Confident90.8Very high67 Ų6762.5 Ų62.536%0.35833%0.332SS..SBendtrans-85.265.7177.7-162.610.9000111.1S262 R263 N297D226-S262 VanDerWaalsContact OD1-CB 3.31Å; D226-S262 WeakPolarHBondContact OD1-CB 3.3Å; D226-S262 PolarHBondContact OD1-OG 3.28Å; D226-S262 WeakPolarHBondContact OD2-CB 3.47Å; D226-S262 PolarHBondContact OD2-OG 2.8Å; D226-R263 HydrophobicContact CB-CG 4.08Å; D226-N297 PolarHBondContact OD1-ND2 3.22Å
227T75.4Confident90.9Very high59 Ų5962 Ų6236%0.36233%0.33SS..SBendtrans-128161.7-176.870.30000111E225 V229 A230 N297E225-T227 HydrophobicContact CB-CG2 3.98Å; E225-T227 PolarHBondContact O-N 3.05Å; T227-V229 PolarHBondContact O-N 2.85Å; T227-V229 WeakPolarHBondContact OG1-CG2 3.16Å; T227-A230 PolarHBondContact O-N 2.87Å; T227-A230 PolarHBondContact OG1-N 3.23Å; T227-N297 PolarHBondContact O-ND2 3.39Å
228L63.7Low91Very high117 Ų11764 Ų6461%0.61334%0.343SS*.THydrogen-bonded Turntrans-70.9-12.1179.3-60.5179.1000113.8N297 L298 A299L228-N297 HydrophobicContact CD2-CB 4.23Å; L228-L298 HydrophobicContact CD2-CB 4.23Å; L228-A299 HydrophobicContact CB-CB 4.17Å; L228-A299 HydrophobicContact CD2-CB 4Å; L228-A299 WeakPolarHBondContact O-CB 3.28Å
229V75.8Confident91Very high136 Ų13659.5 Ų59.582%0.82432%0.322SS*.THydrogen-bonded Turntrans-101.2-11.3-179.4-61.40000113T227T227-V229 PolarHBondContact O-N 2.85Å; T227-V229 WeakPolarHBondContact OG1-CG2 3.16Å
230A85.5Confident91Very high18 Ų1857.9 Ų57.915%0.14932%0.317CS..  trans-72135.2-179.400000111.1V224 E225 T227 F300 Q303V224-A230 HydrophobicContact CG1-CB 4.15Å; E225-A230 VanDerWaalsContact O-CB 3.23Å; E225-A230 WeakPolarHBondContact O-CB 3.24Å; T227-A230 PolarHBondContact O-N 2.87Å; T227-A230 PolarHBondContact OG1-N 3.23Å; A230-F300 HydrophobicContact CB-CE1 4Å; A230-F300 HydrophobicContact CB-CZ 4.21Å; A230-Q303 PolarHBondContact O-NE2 3.41Å
231D92.3Very high91Very high98 Ų9859.8 Ų59.852%0.52433%0.333SS..  trans-93.494.6171.6-1760.4000109.6R233 A234 Q303D231-R233 PolarHBondContact OD1-N 3.3Å; D231-A234 PolarHBondContact OD1-N 3.48Å; D231-A234 VanDerWaalsContact OD1-N 3.12Å; D231-Q303 PolarHBondContact OD1-OE1 3.38Å
232I97.3Very high91Very high0 Ų057 Ų570%032%0.323CS..  trans-85.3-22.4176.5-165.3165.3000111.8V205 V224 A234 C235 F236 R263 T266 I267 F300V205-I232 HydrophobicContact CG1-CD1 4.24Å; V224-I232 HydrophobicContact CG1-CB 3.94Å; V224-I232 HydrophobicContact CG1-CD1 4.05Å; V224-I232 HydrophobicContact CG1-CG1 3.96Å; V224-I232 HydrophobicContact CG2-CG1 4.35Å; I232-A234 VanDerWaalsContact C-N 3.28Å; I232-A234 PolarHBondContact O-N 3.25Å; I232-C235 WeakPolarHBondContact O-CB 3.45Å; I232-C235 PolarHBondContact O-N 2.98Å; I232-F236 HydrophobicContact CG1-CE1 4.21Å; I232-F236 HydrophobicContact CG2-CE1 4.04Å; I232-F236 HydrophobicContact CG2-CZ 4.21Å; I232-F236 WeakPolarHBondContact O-CD1 3.36Å; I232-F236 WeakPolarHBondContact O-CE1 3.46Å; I232-R263 HydrophobicContact CD1-CB 4.2Å; I232-R263 HydrophobicContact CD1-CG 4.29Å; I232-T266 HydrophobicContact CD1-CG2 4.11Å; I232-T266 HydrophobicContact CG2-CG2 3.87Å; I232-I267 HydrophobicContact CD1-CD1 4.31Å; I232-I267 HydrophobicContact CD1-CG1 4.4Å; I232-I267 HydrophobicContact CG1-CD1 4.08Å; I232-F300 HydrophobicContact CB-CD1 3.98Å; I232-F300 HydrophobicContact CB-CE1 3.7Å; I232-F300 HydrophobicContact CB-CZ 4.02Å; I232-F300 HydrophobicContact CD1-CD2 4.17Å; I232-F300 HydrophobicContact CD1-CE2 3.87Å; I232-F300 HydrophobicContact CD1-CZ 4.04Å; I232-F300 HydrophobicContact CG2-CB 4.21Å; I232-F300 HydrophobicContact CG2-CD1 3.27Å; I232-F300 HydrophobicContact CG2-CD2 4.25Å; I232-F300 HydrophobicContact CG2-CE1 3.56Å; I232-F300 HydrophobicContact CG2-CE2 4.49Å; I232-F300 HydrophobicContact CG2-CG 3.65Å; I232-F300 HydrophobicContact CG2-CZ 4.17Å
233R96.8Very high91.1Very high92 Ų9256.3 Ų56.335%0.34732%0.32SS..G310 helixtrans-62.8-36.3178.6175.2171.4164-126.5-1.7111.6D231 C235 F236 Q303 D310D231-R233 PolarHBondContact OD1-N 3.3Å; R233-C235 PolarHBondContact O-N 3.29Å; R233-F236 HydrophobicContact CB-CD2 4.09Å; R233-F236 HydrophobicContact CB-CE2 3.89Å; R233-F236 HydrophobicContact CB-CZ 4.26Å; R233-F236 HydrophobicContact CG-CD2 3.88Å; R233-F236 HydrophobicContact CG-CE2 3.99Å; R233-F236 WeakPolarHBondContact O-CB 3.42Å; R233-F236 WeakPolarHBondContact O-CG 3.04Å; R233-F236 PolarHBondContact O-N 2.97Å; R233-Q303 HydrophobicContact CB-CB 4.1Å; R233-Q303 HydrophobicContact CB-CG 4.36Å; R233-D310 IonicContact CZ-OD2 3.67Å; R233-D310 VanDerWaalsContact CZ-OD2 3.24Å; R233-D310 IonicContact NE-OD2 2.8Å; R233-D310 PolarHBondContact NE-OD2 3.22Å; R233-D310 IonicContact NH2-OD1 3.3Å; R233-D310 IonicContact NH2-OD2 3.65Å; R233-D310 PolarHBondContact NH2-OD2 3.42Å
234A96.7Very high91.3Very high69 Ų6952.9 Ų52.957%0.5730%0.297SS*.G310 helixtrans-53.5-24.7172.500000113.3D231 I232D231-A234 PolarHBondContact OD1-N 3.48Å; D231-A234 VanDerWaalsContact OD1-N 3.12Å; I232-A234 VanDerWaalsContact C-N 3.28Å; I232-A234 PolarHBondContact O-N 3.25Å
235C97.6Very high91.7Very high23 Ų2354.9 Ų54.916%0.15531%0.311CS..G310 helixtrans-91.6-8.9179.1-55.20000114.5L222 I232 R233 H237 T238 A239L222-C235 HydrophobicContact CD1-CB 3.95Å; L222-C235 HydrophobicContact CD2-CB 4.16Å; L222-C235 HydrophobicContact CG-CB 4.45Å; I232-C235 WeakPolarHBondContact O-CB 3.45Å; I232-C235 PolarHBondContact O-N 2.98Å; R233-C235 PolarHBondContact O-N 3.29Å; C235-H237 PolarHBondContact O-N 2.92Å; C235-T238 PolarHBondContact O-N 3.27Å; C235-A239 WeakPolarHBondContact O-CB 3.47Å; C235-A239 PolarHBondContact O-N 3.32Å
236F98.3Very high92.5Very high1 Ų150.4 Ų50.40%0.00429%0.291CS..Hα-helixtrans-60.8-50.3-170.6-71.1-8.9000112.8I232 R233 T238 A239 I240 T266 I267 A270 L304 F307I232-F236 HydrophobicContact CG1-CE1 4.21Å; I232-F236 HydrophobicContact CG2-CE1 4.04Å; I232-F236 HydrophobicContact CG2-CZ 4.21Å; I232-F236 WeakPolarHBondContact O-CD1 3.36Å; I232-F236 WeakPolarHBondContact O-CE1 3.46Å; R233-F236 HydrophobicContact CB-CD2 4.09Å; R233-F236 HydrophobicContact CB-CE2 3.89Å; R233-F236 HydrophobicContact CB-CZ 4.26Å; R233-F236 HydrophobicContact CG-CD2 3.88Å; R233-F236 HydrophobicContact CG-CE2 3.99Å; R233-F236 WeakPolarHBondContact O-CB 3.42Å; R233-F236 WeakPolarHBondContact O-CG 3.04Å; R233-F236 PolarHBondContact O-N 2.97Å; F236-T238 VanDerWaalsContact C-N 3.31Å; F236-T238 PolarHBondContact O-N 2.8Å; F236-A239 PolarHBondContact O-N 3.18Å; F236-I240 HydrophobicContact CB-CD1 4.43Å; F236-I240 WeakPolarHBondContact O-CB 3.34Å; F236-I240 WeakPolarHBondContact O-CD1 3.36Å; F236-I240 WeakPolarHBondContact O-CG1 3.47Å; F236-I240 PolarHBondContact O-N 3.3Å; F236-T266 HydrophobicContact CE1-CG2 3.91Å; F236-T266 HydrophobicContact CZ-CG2 3.89Å; F236-I267 HydrophobicContact CD1-CD1 3.79Å; F236-I267 HydrophobicContact CE1-CD1 4.03Å; F236-A270 HydrophobicContact CB-CB 4.42Å; F236-A270 HydrophobicContact CD1-CB 3.83Å; F236-A270 HydrophobicContact CD2-CB 3.81Å; F236-A270 HydrophobicContact CE1-CB 3.93Å; F236-A270 HydrophobicContact CE2-CB 3.93Å; F236-A270 HydrophobicContact CG-CB 3.76Å; F236-A270 HydrophobicContact CZ-CB 3.99Å; F236-L304 HydrophobicContact CE2-CD2 4.03Å; F236-L304 HydrophobicContact CZ-CD2 3.74Å; F236-L304 HydrophobicContact CZ-CG 4.25Å; F236-F307 HydrophobicContact CB-CE2 4.29Å; F236-F307 HydrophobicContact CB-CZ 4.31Å; F236-F307 HydrophobicContact CD2-CB 3.9Å; F236-F307 AromaticContact CD2-CD1 3.71Å; F236-F307 HydrophobicContact CD2-CD1 3.71Å; F236-F307 AromaticContact CD2-CD2 3.72Å; F236-F307 HydrophobicContact CD2-CD2 3.72Å; F236-F307 HydrophobicContact CD2-CE1 4.11Å; F236-F307 HydrophobicContact CD2-CE2 4.11Å; F236-F307 AromaticContact CD2-CG 3.49Å; F236-F307 HydrophobicContact CD2-CG 3.49Å; F236-F307 VanDerWaalsContact CD2-CG 3.49Å; F236-F307 HydrophobicContact CD2-CZ 4.29Å; F236-F307 HydrophobicContact CE2-CB 3.75Å; F236-F307 HydrophobicContact CE2-CD1 4.03Å; F236-F307 HydrophobicContact CE2-CD2 4.44Å; F236-F307 AromaticContact CE2-CG 3.83Å; F236-F307 HydrophobicContact CE2-CG 3.83Å
237H97.3Very high93.3Very high114 Ų11451.6 Ų51.653%0.52829%0.292SS..Hα-helixtrans-62.7-38.4-179.3-69.3-66.2000112.6C235 I240 S241C235-H237 PolarHBondContact O-N 2.92Å; H237-I240 PolarHBondContact O-N 3.21Å; H237-S241 WeakPolarHBondContact O-CB 3.36Å; H237-S241 PolarHBondContact O-N 2.99Å; H237-S241 PolarHBondContact O-OG 3.5Å
238T98.6Very high94.4Very high75 Ų7557.2 Ų57.246%0.4631%0.312SS..Hα-helixtrans-64.1-46.6175.6-52.10000111L220 L222 C235 F236 S241 F242L220-T238 HydrophobicContact CD2-CG2 4.06Å; L222-T238 HydrophobicContact CD2-CG2 4.24Å; C235-T238 PolarHBondContact O-N 3.27Å; F236-T238 VanDerWaalsContact C-N 3.31Å; F236-T238 PolarHBondContact O-N 2.8Å; T238-S241 PolarHBondContact O-N 3.11Å; T238-F242 WeakPolarHBondContact O-CB 3.14Å; T238-F242 PolarHBondContact O-N 3.3Å
239A98.7Very high95.9Very high1 Ų155.9 Ų55.91%0.00831%0.312CS..Hα-helixtrans-60.7-47.2176.600000112L203 L222 C235 F236 S241 F242 I243 I267L203-A239 HydrophobicContact CD2-CB 3.92Å; L222-A239 HydrophobicContact CD1-CB 3.85Å; C235-A239 WeakPolarHBondContact O-CB 3.47Å; C235-A239 PolarHBondContact O-N 3.32Å; F236-A239 PolarHBondContact O-N 3.18Å; A239-S241 PolarHBondContact O-N 2.85Å; A239-F242 PolarHBondContact O-N 3.39Å; A239-I243 VanDerWaalsContact O-CG1 3.27Å; A239-I243 WeakPolarHBondContact O-CG1 3.45Å; A239-I243 PolarHBondContact O-N 3.01Å; A239-I267 HydrophobicContact CB-CD1 4.08Å; A239-I267 HydrophobicContact CB-CG2 3.65Å
240I98.5Very high96.7Very high6 Ų652.7 Ų52.73%0.03131%0.307CS..Hα-helixtrans-60.4-47.9179.8-69.8161.3000110.5F236 H237 F242 I243 D244 Y271 H274 F307F236-I240 HydrophobicContact CB-CD1 4.43Å; F236-I240 WeakPolarHBondContact O-CB 3.34Å; F236-I240 WeakPolarHBondContact O-CD1 3.36Å; F236-I240 WeakPolarHBondContact O-CG1 3.47Å; F236-I240 PolarHBondContact O-N 3.3Å; H237-I240 PolarHBondContact O-N 3.21Å; I240-F242 VanDerWaalsContact C-N 3.29Å; I240-F242 PolarHBondContact O-N 3.46Å; I240-I243 PolarHBondContact O-N 3.23Å; I240-D244 WeakPolarHBondContact O-CB 3.45Å; I240-D244 PolarHBondContact O-N 2.8Å; I240-Y271 HydrophobicContact CB-CD2 4.25Å; I240-Y271 HydrophobicContact CG1-CD2 4.01Å; I240-Y271 HydrophobicContact CG2-CD2 4.15Å; I240-Y271 HydrophobicContact CG2-CE2 4.29Å; I240-H274 HydrophobicContact CD1-CB 3.78Å; I240-F307 HydrophobicContact CD1-CE1 4.33Å; I240-F307 HydrophobicContact CD1-CZ 3.84Å
241S98.6Very high97.3Very high78 Ų7852.1 Ų52.155%0.54530%0.302SS..Hα-helixtrans-61.1-39.5179.5-58.80000112H237 T238 A239 S245H237-S241 WeakPolarHBondContact O-CB 3.36Å; H237-S241 PolarHBondContact O-N 2.99Å; H237-S241 PolarHBondContact O-OG 3.5Å; T238-S241 PolarHBondContact O-N 3.11Å; A239-S241 PolarHBondContact O-N 2.85Å; S241-S245 WeakPolarHBondContact O-CB 3.35Å; S241-S245 PolarHBondContact O-N 2.95Å
242F98.8Very high97.6Very high20 Ų2050.5 Ų50.59%0.08829%0.289CS..Hα-helixtrans-64.9-49.9175.7179.3-99000111.8A201 L203 Q218 L220 T238 A239 I240 D244 S245 V246 V253A201-F242 HydrophobicContact CB-CE1 4.26Å; A201-F242 HydrophobicContact CB-CZ 4.01Å; L203-F242 HydrophobicContact CB-CD1 4.19Å; L203-F242 HydrophobicContact CB-CE1 4.03Å; L203-F242 HydrophobicContact CD1-CD1 4.23Å; Q218-F242 HydrophobicContact CG-CE2 3.89Å; Q218-F242 HydrophobicContact CG-CZ 4.17Å; Q218-F242 VanDerWaalsContact NE2-CE2 3.31Å; L220-F242 HydrophobicContact CB-CD1 4.05Å; L220-F242 HydrophobicContact CB-CD2 3.55Å; L220-F242 HydrophobicContact CB-CE1 4.01Å; L220-F242 HydrophobicContact CB-CE2 3.48Å; L220-F242 VanDerWaalsContact CB-CE2 3.48Å; L220-F242 HydrophobicContact CB-CG 3.82Å; L220-F242 HydrophobicContact CB-CZ 3.73Å; L220-F242 HydrophobicContact CD2-CB 3.47Å; L220-F242 VanDerWaalsContact CD2-CB 3.47Å; L220-F242 HydrophobicContact CD2-CD1 4.2Å; L220-F242 HydrophobicContact CD2-CD2 3.92Å; L220-F242 HydrophobicContact CD2-CG 3.62Å; L220-F242 HydrophobicContact CG-CD2 4.33Å; L220-F242 HydrophobicContact CG-CG 4.35Å; T238-F242 WeakPolarHBondContact O-CB 3.14Å; T238-F242 PolarHBondContact O-N 3.3Å; A239-F242 PolarHBondContact O-N 3.39Å; I240-F242 VanDerWaalsContact C-N 3.29Å; I240-F242 PolarHBondContact O-N 3.46Å; F242-D244 VanDerWaalsContact C-N 3.3Å; F242-D244 PolarHBondContact O-N 2.74Å; F242-S245 PolarHBondContact O-N 3.33Å; F242-S245 VanDerWaalsContact O-N 3.12Å; F242-S245 PolarHBondContact O-OG 3.37Å; F242-V246 HydrophobicContact CE1-CG2 4.26Å; F242-V246 HydrophobicContact CZ-CG2 4.33Å; F242-V246 WeakPolarHBondContact O-CG2 3.15Å; F242-V246 PolarHBondContact O-N 2.96Å; F242-V246 VanDerWaalsContact O-N 3.11Å; F242-V253 HydrophobicContact CD1-CG2 4.37Å; F242-V253 HydrophobicContact CE1-CG2 3.87Å
243I98.7Very high97.7Very high0 Ų050.5 Ų50.50%029%0.289CS..Hα-helixtrans-59-43.8178.6-65164000110.4F179 L180 L203 A239 I240 S245 V246 K247 V253 V255 I267 Y271F179-I243 HydrophobicContact CD2-CG2 4.32Å; F179-I243 HydrophobicContact CE2-CG2 3.92Å; L180-I243 HydrophobicContact CD1-CD1 4.22Å; L180-I243 HydrophobicContact CD1-CG2 4.22Å; L203-I243 HydrophobicContact CD2-CD1 4.18Å; L203-I243 HydrophobicContact CD2-CG1 4.27Å; A239-I243 VanDerWaalsContact O-CG1 3.27Å; A239-I243 WeakPolarHBondContact O-CG1 3.45Å; A239-I243 PolarHBondContact O-N 3.01Å; I240-I243 PolarHBondContact O-N 3.23Å; I243-S245 VanDerWaalsContact C-N 3.34Å; I243-S245 PolarHBondContact O-N 3.19Å; I243-V246 PolarHBondContact O-N 3.47Å; I243-K247 WeakPolarHBondContact O-CB 3.27Å; I243-K247 PolarHBondContact O-N 3.32Å; I243-V253 HydrophobicContact CB-CG1 4.36Å; I243-V253 HydrophobicContact CG1-CG1 4.12Å; I243-V253 HydrophobicContact CG2-CG1 3.91Å; I243-V255 HydrophobicContact CD1-CG2 4.15Å; I243-I267 HydrophobicContact CD1-CG2 4.32Å; I243-Y271 HydrophobicContact CB-CD2 3.89Å; I243-Y271 HydrophobicContact CB-CE2 3.67Å; I243-Y271 HydrophobicContact CD1-CD2 3.79Å; I243-Y271 HydrophobicContact CD1-CE2 4.44Å; I243-Y271 HydrophobicContact CD1-CG 3.98Å; I243-Y271 HydrophobicContact CG1-CD2 4.46Å; I243-Y271 HydrophobicContact CG2-CD1 4.29Å; I243-Y271 HydrophobicContact CG2-CD2 3.77Å; I243-Y271 HydrophobicContact CG2-CE1 3.89Å; I243-Y271 HydrophobicContact CG2-CE2 3.33Å; I243-Y271 HydrophobicContact CG2-CG 4.24Å
244D98.1Very high97.7Very high35 Ų3546.1 Ų46.119%0.18727%0.272CS..Hα-helixtrans-65.4-35.2177.2-82.7-12.5000112.9I240 F242 K247 K248 Y271I240-D244 WeakPolarHBondContact O-CB 3.45Å; I240-D244 PolarHBondContact O-N 2.8Å; F242-D244 VanDerWaalsContact C-N 3.3Å; F242-D244 PolarHBondContact O-N 2.74Å; D244-K247 PolarHBondContact O-N 3.06Å; D244-K248 WeakPolarHBondContact O-CB 3.27Å; D244-K248 VanDerWaalsContact O-CG 3.22Å; D244-K248 WeakPolarHBondContact O-CG 3.31Å; D244-K248 PolarHBondContact O-N 3.31Å; D244-Y271 VanDerWaalsContact OD1-CE2 3.32Å; D244-Y271 WeakPolarHBondContact OD1-CE2 3.33Å; D244-Y271 PolarHBondContact OD1-OH 2.87Å
245S98.5Very high97.8Very high49 Ų4942.8 Ų42.834%0.34325%0.245SC..Hα-helixtrans-63.8-42.3175.777.10000111.7S241 F242 I243 K248 S249S241-S245 WeakPolarHBondContact O-CB 3.35Å; S241-S245 PolarHBondContact O-N 2.95Å; F242-S245 PolarHBondContact O-N 3.33Å; F242-S245 VanDerWaalsContact O-N 3.12Å; F242-S245 PolarHBondContact O-OG 3.37Å; I243-S245 VanDerWaalsContact C-N 3.34Å; I243-S245 PolarHBondContact O-N 3.19Å; S245-K248 PolarHBondContact O-N 2.85Å; S245-S249 PolarHBondContact O-N 3.3Å; S245-S249 PolarHBondContact O-OG 2.84Å
246V98.3Very high97.9Very high1 Ų141.7 Ų41.71%0.00624%0.238CC..Hα-helixtrans-67.9-42.3177.2177.20000110.9A201 F242 I243 K248 S249 G250 G251 V253A201-V246 HydrophobicContact CB-CB 4.33Å; A201-V246 HydrophobicContact CB-CG1 3.91Å; A201-V246 HydrophobicContact CB-CG2 3.43Å; A201-V246 VanDerWaalsContact CB-CG2 3.43Å; F242-V246 HydrophobicContact CE1-CG2 4.26Å; F242-V246 HydrophobicContact CZ-CG2 4.33Å; F242-V246 WeakPolarHBondContact O-CG2 3.15Å; F242-V246 PolarHBondContact O-N 2.96Å; F242-V246 VanDerWaalsContact O-N 3.11Å; I243-V246 PolarHBondContact O-N 3.47Å; V246-K248 VanDerWaalsContact C-N 3.33Å; V246-K248 PolarHBondContact O-N 2.95Å; V246-S249 PolarHBondContact O-N 3.12Å; V246-S249 PolarHBondContact O-OG 3.31Å; V246-G250 PolarHBondContact O-N 3.21Å; V246-G251 WeakPolarHBondContact O-CA 3.5Å; V246-G251 PolarHBondContact O-N 2.89Å; V246-V253 HydrophobicContact CB-CB 4.41Å; V246-V253 HydrophobicContact CG1-CB 4.08Å
247K96.8Very high97.7Very high91 Ų9141.7 Ų41.740%0.39624%0.238SC..Hα-helixtrans-57.8-46.1174-178.8-170-177.3178.10111.6F179 I243 D244 S249 G250F179-K247 HydrophobicContact CD1-CD 4.13Å; F179-K247 HydrophobicContact CD1-CG 3.84Å; F179-K247 HydrophobicContact CD2-CB 3.74Å; F179-K247 HydrophobicContact CD2-CD 4.22Å; F179-K247 HydrophobicContact CD2-CG 3.91Å; F179-K247 HydrophobicContact CE1-CD 3.68Å; F179-K247 VanDerWaalsContact CE1-CE 3.49Å; F179-K247 HydrophobicContact CE1-CG 3.94Å; F179-K247 HydrophobicContact CE2-CB 3.99Å; F179-K247 HydrophobicContact CE2-CD 3.78Å; F179-K247 HydrophobicContact CE2-CG 4Å; F179-K247 HydrophobicContact CG-CB 4.06Å; F179-K247 HydrophobicContact CG-CD 4.39Å; F179-K247 HydrophobicContact CG-CG 3.84Å; F179-K247 HydrophobicContact CZ-CD 3.49Å; F179-K247 VanDerWaalsContact CZ-CD 3.49Å; F179-K247 HydrophobicContact CZ-CG 4.02Å; I243-K247 WeakPolarHBondContact O-CB 3.27Å; I243-K247 PolarHBondContact O-N 3.32Å; D244-K247 PolarHBondContact O-N 3.06Å; K247-S249 VanDerWaalsContact C-N 3.29Å; K247-S249 PolarHBondContact O-N 2.89Å; K247-G250 PolarHBondContact O-N 2.93Å
248K96.7Very high96.9Very high178 Ų17840.8 Ų40.877%0.77423%0.234SC*.Hα-helixtrans-65.4-29.6-178.5-76.6170.3-177174.20113D244 S245 V246 G250D244-K248 WeakPolarHBondContact O-CB 3.27Å; D244-K248 VanDerWaalsContact O-CG 3.22Å; D244-K248 WeakPolarHBondContact O-CG 3.31Å; D244-K248 PolarHBondContact O-N 3.31Å; S245-K248 PolarHBondContact O-N 2.85Å; V246-K248 VanDerWaalsContact C-N 3.33Å; V246-K248 PolarHBondContact O-N 2.95Å; K248-G250 PolarHBondContact O-N 3.3Å
249S96.7Very high96Very high89 Ų8938.7 Ų38.762%0.62222%0.224SC*.THydrogen-bonded Turntrans-822.7173.6630000113.7S245 V246 K247 G251S245-S249 PolarHBondContact O-N 3.3Å; S245-S249 PolarHBondContact O-OG 2.84Å; V246-S249 PolarHBondContact O-N 3.12Å; V246-S249 PolarHBondContact O-OG 3.31Å; K247-S249 VanDerWaalsContact C-N 3.29Å; K247-S249 PolarHBondContact O-N 2.89Å; S249-G251 PolarHBondContact O-N 3.09Å
250G92.8Very high95.6Very high68 Ų6838.7 Ų38.770%0.70122%0.224SC*.THydrogen-bonded Turntrans74.912-176.400000113.8V246 K247 K248V246-G250 PolarHBondContact O-N 3.21Å; K247-G250 PolarHBondContact O-N 2.93Å; K248-G250 PolarHBondContact O-N 3.3Å
251G97.2Very high94.8Very high6 Ų640.5 Ų40.56%0.06223%0.233CC..  trans-81.8178.8178.600000113.6F179 T200 V246 S249F179-G251 WeakPolarHBondContact CB-O 3.05Å; T200-G251 WeakPolarHBondContact OG1-CA 3.43Å; V246-G251 WeakPolarHBondContact O-CA 3.5Å; V246-G251 PolarHBondContact O-N 2.89Å; S249-G251 PolarHBondContact O-N 3.09Å
252R98.4Very high94.3Very high64 Ų6437 Ų3724%0.24221%0.209CC..  trans-129.1133.5176-45.717984.2-17110.9109.5E175 P178 F179 F181 A197 G198 I199 T200 A201E175-R252 IonicContact OE1-NH2 3.31Å; E175-R252 IonicContact OE2-NH2 2.86Å; E175-R252 PolarHBondContact OE2-NH2 3.03Å; P178-R252 PolarHBondContact O-NE 3.13Å; P178-R252 PolarHBondContact O-NH2 3.31Å; F179-R252 CarbonylContact O-C 3.58Å; F179-R252 WeakPolarHBondContact O-CA 3.2Å; F181-R252 HydrophobicContact CE2-CB 4.49Å; F181-R252 VanDerWaalsContact CE2-NH2 3.28Å; A197-R252 WeakPolarHBondContact O-CD 3.49Å; A197-R252 PolarHBondContact O-NH1 3.22Å; G198-R252 WeakPolarHBondContact O-CB 3.31Å; G198-R252 WeakPolarHBondContact O-CD 3.41Å; G198-R252 WeakPolarHBondContact O-CG 3.37Å; I199-R252 HydrophobicContact CD1-CB 4.24Å; T200-R252 PolarHBondContact N-O 2.8Å; T200-R252 PolarHBondContact OG1-N 3.44Å; T200-R252 PolarHBondContact OG1-O 3.14Å; A201-R252 PolarHBondContact N-O 3.48Å; A201-R252 VanDerWaalsContact N-O 3.11Å
253V98.8Very high94.2Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-110.2132.3-177.560.20000111.7F179 L180 F181 A201 L203 F242 I243 V246 V255F179-V253 WeakPolarHBondContact O-CG1 3.49Å; F179-V253 PolarHBondContact O-N 3.42Å; L180-V253 HydrophobicContact CD1-CG1 3.84Å; F181-V253 PolarHBondContact N-O 3.38Å; A201-V253 HydrophobicContact CB-CB 4.37Å; A201-V253 HydrophobicContact CB-CG2 4.35Å; A201-V253 CarbonylContact O-C 3.49Å; A201-V253 VanDerWaalsContact O-CA 3.28Å; A201-V253 WeakPolarHBondContact O-CA 3.35Å; L203-V253 HydrophobicContact CB-CG2 4.19Å; F242-V253 HydrophobicContact CD1-CG2 4.37Å; F242-V253 HydrophobicContact CE1-CG2 3.87Å; I243-V253 HydrophobicContact CB-CG1 4.36Å; I243-V253 HydrophobicContact CG1-CG1 4.12Å; I243-V253 HydrophobicContact CG2-CG1 3.91Å; V246-V253 HydrophobicContact CB-CB 4.41Å; V246-V253 HydrophobicContact CG1-CB 4.08Å; V253-V255 HydrophobicContact CG2-CG2 4.46Å
254L98.8Very high94.2Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-93.9118.3164.1173.663.1000109.8P173 F181 H187 L194 I199 A201 V202 L203 H256P173-L254 HydrophobicContact CB-CD1 3.54Å; P173-L254 HydrophobicContact CG-CD1 4.2Å; F181-L254 HydrophobicContact CB-CD1 3.95Å; H187-L254 HydrophobicContact CB-CD2 4.44Å; L194-L254 HydrophobicContact CD2-CB 4.5Å; L194-L254 HydrophobicContact CD2-CD2 3.5Å; I199-L254 HydrophobicContact CD1-CB 4.08Å; I199-L254 HydrophobicContact CG1-CB 4.27Å; I199-L254 HydrophobicContact CG2-CB 3.97Å; A201-L254 PolarHBondContact O-N 3.4Å; V202-L254 CarbonylContact C-O 3.56Å; V202-L254 WeakPolarHBondContact CA-O 3.45Å; L203-L254 PolarHBondContact N-O 3.48Å; L254-H256 HydrophobicContact CG-CB 4.34Å
255V98.8Very high94.2Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-93.9120.4166.9-170.50000108.7L180 F181 G183 L203 V205 I243 V253 I267L180-V255 HydrophobicContact CD1-CG2 3.61Å; F181-V255 PolarHBondContact O-N 3.18Å; G183-V255 PolarHBondContact N-O 2.59Å; L203-V255 HydrophobicContact CB-CB 4.44Å; L203-V255 HydrophobicContact CB-CG1 4.33Å; L203-V255 HydrophobicContact CB-CG2 4.12Å; L203-V255 HydrophobicContact CD2-CG1 4Å; L203-V255 HydrophobicContact CD2-CG2 4.02Å; L203-V255 HydrophobicContact CG-CG1 4.2Å; L203-V255 WeakPolarHBondContact O-CA 3.43Å; V205-V255 HydrophobicContact CG2-CG1 3.89Å; I243-V255 HydrophobicContact CD1-CG2 4.15Å; V253-V255 HydrophobicContact CG2-CG2 4.46Å; V255-I267 HydrophobicContact CG1-CB 4.13Å; V255-I267 HydrophobicContact CG1-CG2 3.96Å
256H98.3Very high94.2Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-136.4159.7179.882.198000112.9G183 S188 V202 L203 N204 V205 L254 S264G183-H256 VanDerWaalsContact O-CA 3.31Å; G183-H256 WeakPolarHBondContact O-CA 3.27Å; G183-H256 WeakPolarHBondContact O-CB 3.33Å; S188-H256 PolarHBondContact OG-CE1 3.15Å; S188-H256 PolarHBondContact OG-ND1 3.37Å; V202-H256 WeakPolarHBondContact CG1-CD2 3.38Å; L203-H256 PolarHBondContact O-N 3.26Å; N204-H256 WeakPolarHBondContact CB-NE2 3.27Å; V205-H256 PolarHBondContact N-O 3.02Å; L254-H256 HydrophobicContact CG-CB 4.34Å; H256-S264 VanDerWaalsContact C-CB 3.47Å
257C93.8Very high94.3Very high1 Ų132.8 Ų32.81%0.00718%0.182CC..  trans-135-159.7165.171.10000107.7S184 A185 V205 G260 R263 S264S184-C257 CarbonylContact C-O 3.42Å; A185-C257 PolarHBondContact N-O 2.76Å; V205-C257 HydrophobicContact CB-CB 4.41Å; V205-C257 WeakPolarHBondContact O-CB 3.46Å; C257-G260 PolarHBondContact SG-N 3Å; C257-R263 HydrophobicContact CB-CB 3.77Å; C257-S264 PolarHBondContact SG-OG 2.88Å; C257-S264 VanDerWaalsContact SG-OG 3.33Å
258Q82.3Confident94.4Very high95 Ų9528.5 Ų28.544%0.44416%0.163SC..SBendtrans-58.4-57.1178.5-173.964.254.600112.8A185 C209A185-Q258 PolarHBondContact N-O 2.95Å; A185-Q258 VanDerWaalsContact N-O 3.13Å; C209-Q258 PolarHBondContact SG-OE1 2.86Å
259A78.4Confident94.5Very high31 Ų3120 Ų2026%0.25613%0.126SC..SBendtrans-105.9-10.9-173.400000114.2S184 I261 R291S184-A259 VanDerWaalsContact CB-C 3.49Å; A259-I261 VanDerWaalsContact C-N 3.29Å; A259-I261 HydrophobicContact CB-CB 4.35Å; A259-I261 HydrophobicContact CB-CD1 3.89Å; A259-I261 HydrophobicContact CB-CG1 4.05Å; A259-I261 PolarHBondContact O-N 2.88Å; A259-R291 PolarHBondContact O-NH2 3.23Å; A259-R291 VanDerWaalsContact O-NH2 3.15Å
260G90.1Very high94.5Very high0 Ų015.8 Ų15.80%010%0.097CC..SBendtrans66.330.3-173.900000113.8G183 C257 S264 R291G183-G260 WeakPolarHBondContact O-CA 3.46Å; C257-G260 PolarHBondContact SG-N 3Å; G260-S264 WeakPolarHBondContact CA-OG 3.4Å; G260-R291 PolarHBondContact O-NE 3.27Å
261I82.9Confident94.8Very high45 Ų4512.6 Ų12.623%0.2316%0.064CC..SBendtrans-111.4-52.5-174.4-70.3174000111.6A259 A265 V293 I294 S295A259-I261 VanDerWaalsContact C-N 3.29Å; A259-I261 HydrophobicContact CB-CB 4.35Å; A259-I261 HydrophobicContact CB-CD1 3.89Å; A259-I261 HydrophobicContact CB-CG1 4.05Å; A259-I261 PolarHBondContact O-N 2.88Å; I261-A265 WeakPolarHBondContact O-CB 3.4Å; I261-V293 HydrophobicContact CG1-CB 4.28Å; I261-V293 HydrophobicContact CG1-CG2 4.07Å; I261-V293 WeakPolarHBondContact CG2-O 3.19Å; I261-I294 WeakPolarHBondContact O-CA 3.35Å; I261-S295 CarbonylContact O-C 3.36Å; I261-S295 PolarHBondContact O-N 3.2Å
262S86.8Confident94.7Very high3 Ų312.5 Ų12.52%0.0216%0.062CC..SBendtrans-107.9-84.2-171.6171.50000111.9D226 S264 A265 T266 N297 F300D226-S262 VanDerWaalsContact OD1-CB 3.31Å; D226-S262 WeakPolarHBondContact OD1-CB 3.3Å; D226-S262 PolarHBondContact OD1-OG 3.28Å; D226-S262 WeakPolarHBondContact OD2-CB 3.47Å; D226-S262 PolarHBondContact OD2-OG 2.8Å; S262-S264 PolarHBondContact O-N 3.01Å; S262-A265 WeakPolarHBondContact O-CA 3.5Å; S262-A265 WeakPolarHBondContact O-CB 3.43Å; S262-A265 PolarHBondContact O-N 3.45Å; S262-T266 PolarHBondContact O-N 3.36Å; S262-T266 PolarHBondContact O-OG1 3.19Å; S262-N297 PolarHBondContact OG-N 3.5Å; S262-N297 VanDerWaalsContact OG-N 3.09Å; S262-F300 WeakPolarHBondContact OG-CD2 3.44Å
263R98.1Very high94.4Very high16 Ų169.5 Ų9.56%0.065%0.051CC..Hα-helixtrans-45.9-55-174.9-70171.7-72-170.5-8.4115.7V205 V224 D226 I232 C257 T266 I267 F300V205-R263 HydrophobicContact CB-CB 4.22Å; V205-R263 HydrophobicContact CG1-CB 3.85Å; V205-R263 VanDerWaalsContact O-CD 3.31Å; V205-R263 WeakPolarHBondContact O-CD 3.24Å; V205-R263 PolarHBondContact O-NE 2.8Å; V224-R263 WeakPolarHBondContact O-CD 3.29Å; V224-R263 PolarHBondContact O-NH1 3.22Å; D226-R263 HydrophobicContact CB-CG 4.08Å; I232-R263 HydrophobicContact CD1-CB 4.2Å; I232-R263 HydrophobicContact CD1-CG 4.29Å; C257-R263 HydrophobicContact CB-CB 3.77Å; R263-T266 WeakPolarHBondContact O-CB 3.44Å; R263-T266 PolarHBondContact O-N 3.23Å; R263-I267 PolarHBondContact O-N 3.02Å; R263-I267 VanDerWaalsContact O-N 3.14Å; R263-F300 HydrophobicContact CB-CE2 4.45Å; R263-F300 HydrophobicContact CG-CE2 3.58Å; R263-F300 HydrophobicContact CG-CZ 4.16Å
264S98.5Very high94.2Very high0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-68.1-36.7-178.850.40000112.5L182 H256 C257 G260 S262 I267 C268L182-S264 WeakPolarHBondContact CD1-OG 3.21Å; H256-S264 VanDerWaalsContact C-CB 3.47Å; C257-S264 PolarHBondContact SG-OG 2.88Å; C257-S264 VanDerWaalsContact SG-OG 3.33Å; G260-S264 WeakPolarHBondContact CA-OG 3.4Å; S262-S264 PolarHBondContact O-N 3.01Å; S264-I267 PolarHBondContact O-N 3.32Å; S264-C268 PolarHBondContact O-N 3.16Å; S264-C268 PolarHBondContact O-SG 2.71Å; S264-C268 VanDerWaalsContact O-SG 3.35Å
265A98.2Very high93.6Very high0 Ų013.9 Ų13.90%07%0.074CC..Hα-helixtrans-62.1-44.1173.200000110.9L182 I261 S262 I267 C268 L269 I294 P296L182-A265 HydrophobicContact CD2-CB 4.28Å; I261-A265 WeakPolarHBondContact O-CB 3.4Å; S262-A265 WeakPolarHBondContact O-CA 3.5Å; S262-A265 WeakPolarHBondContact O-CB 3.43Å; S262-A265 PolarHBondContact O-N 3.45Å; A265-I267 VanDerWaalsContact C-N 3.31Å; A265-I267 PolarHBondContact O-N 3.49Å; A265-C268 PolarHBondContact O-N 3.35Å; A265-C268 VanDerWaalsContact O-N 3.13Å; A265-L269 VanDerWaalsContact O-CG 3.26Å; A265-L269 WeakPolarHBondContact O-CG 3.45Å; A265-L269 PolarHBondContact O-N 3.1Å; A265-I294 HydrophobicContact CB-CB 3.9Å; A265-I294 HydrophobicContact CB-CG2 3.68Å; A265-P296 HydrophobicContact CB-CG 4.46Å
266T98.6Very high92.8Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-54.6-46175-53.50000112I232 F236 S262 R263 L269 A270 F300 L304I232-T266 HydrophobicContact CD1-CG2 4.11Å; I232-T266 HydrophobicContact CG2-CG2 3.87Å; F236-T266 HydrophobicContact CE1-CG2 3.91Å; F236-T266 HydrophobicContact CZ-CG2 3.89Å; S262-T266 PolarHBondContact O-N 3.36Å; S262-T266 PolarHBondContact O-OG1 3.19Å; R263-T266 WeakPolarHBondContact O-CB 3.44Å; R263-T266 PolarHBondContact O-N 3.23Å; T266-L269 PolarHBondContact O-N 2.71Å; T266-A270 PolarHBondContact O-N 3.41Å; T266-F300 HydrophobicContact CG2-CB 3.94Å; T266-F300 HydrophobicContact CG2-CD2 4.49Å; T266-F300 HydrophobicContact CG2-CG 4.36Å; T266-L304 HydrophobicContact CG2-CD1 3.81Å; T266-L304 HydrophobicContact CG2-CD2 3.98Å; T266-L304 HydrophobicContact CG2-CG 3.83Å
267I98.8Very high92.1Very high2 Ų225.7 Ų25.71%0.0112%0.123CC..Hα-helixtrans-63.3-43.8177.1-66.6-58.1000111.5L203 V205 L222 I232 F236 A239 I243 V255 R263 S264 A265 L269 A270 Y271L203-I267 HydrophobicContact CD2-CG2 3.79Å; V205-I267 HydrophobicContact CG1-CG1 4.01Å; V205-I267 HydrophobicContact CG2-CG1 3.86Å; L222-I267 HydrophobicContact CD1-CD1 4.39Å; I232-I267 HydrophobicContact CD1-CD1 4.31Å; I232-I267 HydrophobicContact CD1-CG1 4.4Å; I232-I267 HydrophobicContact CG1-CD1 4.08Å; F236-I267 HydrophobicContact CD1-CD1 3.79Å; F236-I267 HydrophobicContact CE1-CD1 4.03Å; A239-I267 HydrophobicContact CB-CD1 4.08Å; A239-I267 HydrophobicContact CB-CG2 3.65Å; I243-I267 HydrophobicContact CD1-CG2 4.32Å; V255-I267 HydrophobicContact CG1-CB 4.13Å; V255-I267 HydrophobicContact CG1-CG2 3.96Å; R263-I267 PolarHBondContact O-N 3.02Å; R263-I267 VanDerWaalsContact O-N 3.14Å; S264-I267 PolarHBondContact O-N 3.32Å; A265-I267 VanDerWaalsContact C-N 3.31Å; A265-I267 PolarHBondContact O-N 3.49Å; I267-L269 VanDerWaalsContact C-N 3.34Å; I267-L269 PolarHBondContact O-N 2.77Å; I267-A270 PolarHBondContact O-N 3.07Å; I267-Y271 PolarHBondContact O-N 3.14Å
268C98.8Very high91.3Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-61.9-41176.5-67.90000112.2L176 S264 A265 Y271 L272L176-C268 HydrophobicContact CD1-CB 3.62Å; S264-C268 PolarHBondContact O-N 3.16Å; S264-C268 PolarHBondContact O-SG 2.71Å; S264-C268 VanDerWaalsContact O-SG 3.35Å; A265-C268 PolarHBondContact O-N 3.35Å; A265-C268 VanDerWaalsContact O-N 3.13Å; C268-Y271 PolarHBondContact O-N 3.32Å; C268-L272 WeakPolarHBondContact O-CG 3.29Å; C268-L272 PolarHBondContact O-N 3.39Å
269L98.6Very high91.3Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-62.5-47.9176.3-67.2169.8000111.4A265 T266 I267 Y271 L272 M273 L280 A283 F284 V287 P296 L304A265-L269 VanDerWaalsContact O-CG 3.26Å; A265-L269 WeakPolarHBondContact O-CG 3.45Å; A265-L269 PolarHBondContact O-N 3.1Å; T266-L269 PolarHBondContact O-N 2.71Å; I267-L269 VanDerWaalsContact C-N 3.34Å; I267-L269 PolarHBondContact O-N 2.77Å; L269-Y271 VanDerWaalsContact C-N 3.28Å; L269-Y271 PolarHBondContact O-N 3.28Å; L269-L272 PolarHBondContact O-N 3.29Å; L269-M273 WeakPolarHBondContact O-CG 3.32Å; L269-M273 PolarHBondContact O-N 3.12Å; L269-L280 HydrophobicContact CB-CD1 4.47Å; L269-A283 HydrophobicContact CD2-CB 3.96Å; L269-A283 VanDerWaalsContact CD2-O 3.24Å; L269-A283 WeakPolarHBondContact CD2-O 3.31Å; L269-F284 HydrophobicContact CD1-CD2 3.94Å; L269-F284 VanDerWaalsContact CD2-CA 3.47Å; L269-F284 HydrophobicContact CD2-CB 4.26Å; L269-V287 HydrophobicContact CD2-CB 4.18Å; L269-V287 HydrophobicContact CD2-CG2 3.79Å; L269-P296 HydrophobicContact CD1-CG 3.85Å; L269-L304 HydrophobicContact CB-CD1 4.2Å; L269-L304 HydrophobicContact CB-CD2 4.12Å; L269-L304 HydrophobicContact CD1-CD1 3.84Å
270A98.5Very high92Very high1 Ų127 Ų271%0.00812%0.121CC..Hα-helixtrans-57.8-42175.700000111.8F236 T266 I267 H274 L304 F307F236-A270 HydrophobicContact CB-CB 4.42Å; F236-A270 HydrophobicContact CD1-CB 3.83Å; F236-A270 HydrophobicContact CD2-CB 3.81Å; F236-A270 HydrophobicContact CE1-CB 3.93Å; F236-A270 HydrophobicContact CE2-CB 3.93Å; F236-A270 HydrophobicContact CG-CB 3.76Å; F236-A270 HydrophobicContact CZ-CB 3.99Å; T266-A270 PolarHBondContact O-N 3.41Å; I267-A270 PolarHBondContact O-N 3.07Å; A270-H274 VanDerWaalsContact O-CB 3.31Å; A270-H274 WeakPolarHBondContact O-CB 3.26Å; A270-H274 PolarHBondContact O-N 2.72Å; A270-L304 HydrophobicContact CB-CD2 3.94Å; A270-F307 HydrophobicContact CB-CD1 4.16Å; A270-F307 HydrophobicContact CB-CE1 4.01Å
271Y98.6Very high91.5Very high0 Ų030.3 Ų30.30%014%0.138CC..Hα-helixtrans-63.4-44.7176.9-177.2-95.7000113L177 F179 L180 I240 I243 D244 I267 C268 L269 H274 T275L177-Y271 HydrophobicContact CD1-CE1 4.11Å; F179-Y271 AromaticContact CE2-CE1 3.82Å; F179-Y271 HydrophobicContact CE2-CE1 3.82Å; F179-Y271 AromaticContact CE2-CZ 3.84Å; F179-Y271 WeakPolarHBondContact CE2-OH 3.47Å; F179-Y271 AromaticContact CZ-CE1 3.94Å; F179-Y271 HydrophobicContact CZ-CE1 3.94Å; F179-Y271 WeakPolarHBondContact CZ-OH 3.23Å; L180-Y271 HydrophobicContact CD2-CD1 3.6Å; L180-Y271 HydrophobicContact CD2-CE1 4.08Å; L180-Y271 HydrophobicContact CD2-CG 4.41Å; I240-Y271 HydrophobicContact CB-CD2 4.25Å; I240-Y271 HydrophobicContact CG1-CD2 4.01Å; I240-Y271 HydrophobicContact CG2-CD2 4.15Å; I240-Y271 HydrophobicContact CG2-CE2 4.29Å; I243-Y271 HydrophobicContact CB-CD2 3.89Å; I243-Y271 HydrophobicContact CB-CE2 3.67Å; I243-Y271 HydrophobicContact CD1-CD2 3.79Å; I243-Y271 HydrophobicContact CD1-CE2 4.44Å; I243-Y271 HydrophobicContact CD1-CG 3.98Å; I243-Y271 HydrophobicContact CG1-CD2 4.46Å; I243-Y271 HydrophobicContact CG2-CD1 4.29Å; I243-Y271 HydrophobicContact CG2-CD2 3.77Å; I243-Y271 HydrophobicContact CG2-CE1 3.89Å; I243-Y271 HydrophobicContact CG2-CE2 3.33Å; I243-Y271 HydrophobicContact CG2-CG 4.24Å; D244-Y271 VanDerWaalsContact OD1-CE2 3.32Å; D244-Y271 WeakPolarHBondContact OD1-CE2 3.33Å; D244-Y271 PolarHBondContact OD1-OH 2.87Å; I267-Y271 PolarHBondContact O-N 3.14Å; C268-Y271 PolarHBondContact O-N 3.32Å; L269-Y271 VanDerWaalsContact C-N 3.28Å; L269-Y271 PolarHBondContact O-N 3.28Å; Y271-H274 PolarHBondContact O-N 3.06Å; Y271-T275 HydrophobicContact CD1-CG2 4.48Å; Y271-T275 HydrophobicContact CD2-CG2 4.08Å; Y271-T275 HydrophobicContact CE1-CG2 4.07Å; Y271-T275 HydrophobicContact CE2-CG2 3.6Å; Y271-T275 HydrophobicContact CG-CG2 4.49Å; Y271-T275 WeakPolarHBondContact O-CB 2.84Å; Y271-T275 WeakPolarHBondContact O-CG2 2.85Å; Y271-T275 PolarHBondContact O-N 3.48Å; Y271-T275 PolarHBondContact O-OG1 3.37Å
272L94Very high91Very high5 Ų533.1 Ų33.13%0.02615%0.151CC..Hα-helixtrans-63.8-47.9179.1-71.8170.3000111.4L177 C268 L269 H274 T275 Q276 A283 F286 V287L177-L272 HydrophobicContact CD1-CD2 3.91Å; L177-L272 HydrophobicContact CD2-CD2 4.38Å; L177-L272 HydrophobicContact CG-CD2 4.2Å; C268-L272 WeakPolarHBondContact O-CG 3.29Å; C268-L272 PolarHBondContact O-N 3.39Å; L269-L272 PolarHBondContact O-N 3.29Å; L272-H274 VanDerWaalsContact C-N 3.33Å; L272-H274 PolarHBondContact O-N 3.34Å; L272-T275 PolarHBondContact O-N 3.14Å; L272-Q276 HydrophobicContact CD2-CG 4.37Å; L272-Q276 WeakPolarHBondContact O-CA 3.34Å; L272-Q276 VanDerWaalsContact O-CB 3.28Å; L272-Q276 WeakPolarHBondContact O-CB 3.37Å; L272-Q276 PolarHBondContact O-N 2.96Å; L272-A283 HydrophobicContact CB-CB 4.12Å; L272-F286 HydrophobicContact CD1-CD1 3.75Å; L272-F286 HydrophobicContact CD1-CE1 4.18Å; L272-F286 HydrophobicContact CD2-CE1 4.44Å; L272-V287 HydrophobicContact CD1-CG2 3.51Å
273M93.8Very high90.9Very high0 Ų033.1 Ų33.10%015%0.151CC..Hα-helixtrans-59.1-45.3177-65.9-172.7-67.600111.6L269 R277 V278 L280 A283 L304 F307 E308 I311L269-M273 WeakPolarHBondContact O-CG 3.32Å; L269-M273 PolarHBondContact O-N 3.12Å; M273-R277 VanDerWaalsContact O-CA 3.24Å; M273-R277 WeakPolarHBondContact O-CA 3.4Å; M273-R277 PolarHBondContact O-N 2.97Å; M273-V278 WeakPolarHBondContact CA-O 3.1Å; M273-V278 WeakPolarHBondContact CB-O 3.15Å; M273-V278 WeakPolarHBondContact CG-O 3.5Å; M273-L280 HydrophobicContact CE-CD1 4.06Å; M273-L280 WeakPolarHBondContact SD-CA 3.49Å; M273-L280 HydrophobicContact SD-CB 3.55Å; M273-L280 VanDerWaalsContact SD-CB 3.55Å; M273-L280 HydrophobicContact SD-CD1 3.83Å; M273-L280 HydrophobicContact SD-CG 4.25Å; M273-A283 HydrophobicContact CG-CB 3.93Å; M273-L304 HydrophobicContact CE-CB 4.27Å; M273-L304 HydrophobicContact CE-CD2 3.58Å; M273-F307 HydrophobicContact CE-CD1 4.01Å; M273-E308 HydrophobicContact SD-CB 3.96Å; M273-E308 HydrophobicContact SD-CG 4.3Å; M273-I311 HydrophobicContact CB-CD1 3.79Å
274H93.6Very high90.5Very high55 Ų5534.5 Ų34.526%0.25516%0.157SC..Hα-helixtrans-64.7-46.2-179.3179.4-90000113.1I240 A270 Y271 L272 F307 I311I240-H274 HydrophobicContact CD1-CB 3.78Å; A270-H274 VanDerWaalsContact O-CB 3.31Å; A270-H274 WeakPolarHBondContact O-CB 3.26Å; A270-H274 PolarHBondContact O-N 2.72Å; Y271-H274 PolarHBondContact O-N 3.06Å; L272-H274 VanDerWaalsContact C-N 3.33Å; L272-H274 PolarHBondContact O-N 3.34Å; H274-F307 HydrophobicContact CB-CE1 4.26Å; H274-F307 HydrophobicContact CB-CZ 4.3Å; H274-I311 HydrophobicContact CB-CD1 4.31Å
275T86.8Confident89.6Confident38 Ų3839 Ų3923%0.23318%0.181CC..Hα-helixtrans-89.4-32.7-171.460.10000114Y271 L272Y271-T275 HydrophobicContact CD1-CG2 4.48Å; Y271-T275 HydrophobicContact CD2-CG2 4.08Å; Y271-T275 HydrophobicContact CE1-CG2 4.07Å; Y271-T275 HydrophobicContact CE2-CG2 3.6Å; Y271-T275 HydrophobicContact CG-CG2 4.49Å; Y271-T275 WeakPolarHBondContact O-CB 2.84Å; Y271-T275 WeakPolarHBondContact O-CG2 2.85Å; Y271-T275 PolarHBondContact O-N 3.48Å; Y271-T275 PolarHBondContact O-OG1 3.37Å; L272-T275 PolarHBondContact O-N 3.14Å
276Q80.9Confident88.6Confident98 Ų9841.9 Ų41.946%0.45819%0.194SC..Hα-helixtrans-96.6-5.5-179.9-52.2-54.3-57.600112.6L272 V278L272-Q276 HydrophobicContact CD2-CG 4.37Å; L272-Q276 WeakPolarHBondContact O-CA 3.34Å; L272-Q276 VanDerWaalsContact O-CB 3.28Å; L272-Q276 WeakPolarHBondContact O-CB 3.37Å; L272-Q276 PolarHBondContact O-N 2.96Å; Q276-V278 HydrophobicContact CB-CG1 3.99Å; Q276-V278 HydrophobicContact CB-CG2 4.21Å; Q276-V278 PolarHBondContact O-N 3.28Å
277R84.6Confident88.2Confident150 Ų15041.9 Ų41.957%0.56619%0.194SC*.  trans54.932.1-176.7-58.4-63.4-168.8156.22.9113.1M273 I311M273-R277 VanDerWaalsContact O-CA 3.24Å; M273-R277 WeakPolarHBondContact O-CA 3.4Å; M273-R277 PolarHBondContact O-N 2.97Å; R277-I311 PolarHBondContact NH1-O 2.83Å
278V76.2Confident87.6Confident36 Ų3642.9 Ų42.922%0.21820%0.198CC..  trans-91.9155.9175.6-63.10000110.7M273 Q276 E282 A283M273-V278 WeakPolarHBondContact CA-O 3.1Å; M273-V278 WeakPolarHBondContact CB-O 3.15Å; M273-V278 WeakPolarHBondContact CG-O 3.5Å; Q276-V278 HydrophobicContact CB-CG1 3.99Å; Q276-V278 HydrophobicContact CB-CG2 4.21Å; Q276-V278 PolarHBondContact O-N 3.28Å; V278-E282 HydrophobicContact CB-CB 4.22Å; V278-A283 HydrophobicContact CG2-CB 4.05Å
279R83.6Confident86.4Confident113 Ų11350.3 Ų50.343%0.42623%0.233SC..  trans-70.9163.6173.6-70.6170.846.877.56.3112.4D281 E282 A283 E308 L312R279-D281 VanDerWaalsContact C-N 3.34Å; R279-D281 WeakPolarHBondContact CB-OD1 3.34Å; R279-D281 IonicContact CZ-OD1 3.05Å; R279-D281 IonicContact CZ-OD2 2.86Å; R279-D281 IonicContact NE-OD1 3.97Å; R279-D281 PolarHBondContact NE-OD1 2.92Å; R279-D281 VanDerWaalsContact NE-OD1 3.12Å; R279-D281 IonicContact NE-OD2 3.75Å; R279-D281 PolarHBondContact NE-OD2 3.05Å; R279-D281 IonicContact NH2-OD1 3.42Å; R279-D281 IonicContact NH2-OD2 3.65Å; R279-D281 PolarHBondContact NH2-OD2 3.18Å; R279-D281 PolarHBondContact O-N 2.81Å; R279-E282 HydrophobicContact CB-CG 4.48Å; R279-E282 PolarHBondContact O-N 2.76Å; R279-A283 WeakPolarHBondContact O-CB 3.5Å; R279-A283 PolarHBondContact O-N 3.07Å; R279-E308 WeakPolarHBondContact CA-OE1 3.41Å; R279-E308 WeakPolarHBondContact CB-OE1 3.31Å; R279-E308 IonicContact NH1-OE1 3.22Å; R279-L312 HydrophobicContact CG-CD1 4.22Å
280L92.1Very high85.7Confident6 Ų655.2 Ų55.23%0.03125%0.251CS..Hα-helixtrans-62.2-40.6179.9177.356.7000112.4L269 M273 A283 F284 M301 L304 L305 E308L269-L280 HydrophobicContact CB-CD1 4.47Å; M273-L280 HydrophobicContact CE-CD1 4.06Å; M273-L280 WeakPolarHBondContact SD-CA 3.49Å; M273-L280 HydrophobicContact SD-CB 3.55Å; M273-L280 VanDerWaalsContact SD-CB 3.55Å; M273-L280 HydrophobicContact SD-CD1 3.83Å; M273-L280 HydrophobicContact SD-CG 4.25Å; L280-A283 PolarHBondContact O-N 2.75Å; L280-F284 WeakPolarHBondContact O-CB 3.46Å; L280-F284 PolarHBondContact O-N 2.89Å; L280-M301 HydrophobicContact CD2-CE 3.89Å; L280-M301 HydrophobicContact CG-CE 4.35Å; L280-L304 HydrophobicContact CD1-CB 3.89Å; L280-L304 HydrophobicContact CD1-CD1 3.96Å; L280-L304 HydrophobicContact CD1-CG 4.36Å; L280-L304 HydrophobicContact CD2-CB 3.73Å; L280-L304 HydrophobicContact CG-CB 4.47Å; L280-L305 HydrophobicContact CD2-CD2 3.71Å; L280-L305 HydrophobicContact CD2-CG 3.74Å; L280-E308 PolarHBondContact N-OE1 3.16Å
281D80.1Confident85.1Confident68 Ų6855.5 Ų55.536%0.36425%0.252SS..Hα-helixtrans-61.1-48177.748.62.4000111.4R279 F284 D285R279-D281 VanDerWaalsContact C-N 3.34Å; R279-D281 WeakPolarHBondContact CB-OD1 3.34Å; R279-D281 IonicContact CZ-OD1 3.05Å; R279-D281 IonicContact CZ-OD2 2.86Å; R279-D281 IonicContact NE-OD1 3.97Å; R279-D281 PolarHBondContact NE-OD1 2.92Å; R279-D281 VanDerWaalsContact NE-OD1 3.12Å; R279-D281 IonicContact NE-OD2 3.75Å; R279-D281 PolarHBondContact NE-OD2 3.05Å; R279-D281 IonicContact NH2-OD1 3.42Å; R279-D281 IonicContact NH2-OD2 3.65Å; R279-D281 PolarHBondContact NH2-OD2 3.18Å; R279-D281 PolarHBondContact O-N 2.81Å; D281-F284 WeakPolarHBondContact O-CB 3.48Å; D281-F284 PolarHBondContact O-N 2.91Å; D281-D285 PolarHBondContact O-N 2.79Å
282E72.7Confident84.3Confident105 Ų10560.7 Ų60.749%0.49128%0.276SS..Hα-helixtrans-61.4-45.9176.4-66.2175.3-125.300112.5V278 R279 F284 F286V278-E282 HydrophobicContact CB-CB 4.22Å; R279-E282 HydrophobicContact CB-CG 4.48Å; R279-E282 PolarHBondContact O-N 2.76Å; E282-F284 VanDerWaalsContact C-N 3.3Å; E282-F284 PolarHBondContact O-N 3.05Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 3.44Å; E282-F286 VanDerWaalsContact O-N 3.08Å
283A83.6Confident83.5Confident2 Ų261.5 Ų61.52%0.01728%0.281CS..Hα-helixtrans-62.4-39.7176.100000111.5L269 L272 M273 V278 R279 L280 V287L269-A283 HydrophobicContact CD2-CB 3.96Å; L269-A283 VanDerWaalsContact CD2-O 3.24Å; L269-A283 WeakPolarHBondContact CD2-O 3.31Å; L272-A283 HydrophobicContact CB-CB 4.12Å; M273-A283 HydrophobicContact CG-CB 3.93Å; V278-A283 HydrophobicContact CG2-CB 4.05Å; R279-A283 WeakPolarHBondContact O-CB 3.5Å; R279-A283 PolarHBondContact O-N 3.07Å; L280-A283 PolarHBondContact O-N 2.75Å; A283-V287 WeakPolarHBondContact O-CG2 3.43Å; A283-V287 PolarHBondContact O-N 3.34Å; A283-V287 VanDerWaalsContact O-N 3.16Å
284F90.8Very high83.1Confident45 Ų4561.5 Ų61.520%0.19728%0.281CS..Hα-helixtrans-63.6-51179.6-169.9-84.8000111.4L269 L280 D281 E282 F286 V287 K288 I294 P296 M301L269-F284 HydrophobicContact CD1-CD2 3.94Å; L269-F284 VanDerWaalsContact CD2-CA 3.47Å; L269-F284 HydrophobicContact CD2-CB 4.26Å; L280-F284 WeakPolarHBondContact O-CB 3.46Å; L280-F284 PolarHBondContact O-N 2.89Å; D281-F284 WeakPolarHBondContact O-CB 3.48Å; D281-F284 PolarHBondContact O-N 2.91Å; E282-F284 VanDerWaalsContact C-N 3.3Å; E282-F284 PolarHBondContact O-N 3.05Å; F284-F286 VanDerWaalsContact C-N 3.3Å; F284-F286 PolarHBondContact O-N 2.84Å; F284-V287 PolarHBondContact O-N 3.48Å; F284-K288 HydrophobicContact CD1-CB 4.42Å; F284-K288 HydrophobicContact CE1-CB 4.36Å; F284-K288 HydrophobicContact CE1-CD 4.17Å; F284-K288 HydrophobicContact CE1-CG 4.37Å; F284-K288 VanDerWaalsContact O-CB 3.24Å; F284-K288 WeakPolarHBondContact O-CB 3.49Å; F284-K288 PolarHBondContact O-N 3.06Å; F284-I294 HydrophobicContact CD2-CD1 4.32Å; F284-I294 HydrophobicContact CE2-CD1 4.14Å; F284-I294 HydrophobicContact CZ-CD1 4.28Å; F284-P296 HydrophobicContact CE2-CG 4.32Å; F284-M301 HydrophobicContact CD2-CE 4.21Å; F284-M301 HydrophobicContact CD2-SD 4.33Å; F284-M301 HydrophobicContact CE2-CE 4.39Å; F284-M301 HydrophobicContact CE2-SD 4.2Å
285D78.6Confident82.5Confident94 Ų9461.5 Ų61.550%0.50329%0.287SS..Hα-helixtrans-60.2-42.1179.5-72.9-15.8000111.4D281 V287 K288 Q289D281-D285 PolarHBondContact O-N 2.79Å; D285-V287 PolarHBondContact O-N 2.86Å; D285-K288 PolarHBondContact O-N 3.34Å; D285-Q289 VanDerWaalsContact O-CG 3.29Å; D285-Q289 WeakPolarHBondContact O-CG 3.49Å; D285-Q289 PolarHBondContact O-N 2.88Å
286F78.2Confident82.5Confident61 Ų6160 Ų6027%0.26828%0.279SS..Hα-helixtrans-57.9-45.8177177.3-92.9000113.2L176 L177 L272 E282 F284 R290L176-F286 HydrophobicContact CB-CE1 4.25Å; L176-F286 WeakPolarHBondContact O-CE1 3.47Å; L176-F286 WeakPolarHBondContact O-CZ 3.18Å; L177-F286 HydrophobicContact CD2-CZ 4.46Å; L272-F286 HydrophobicContact CD1-CD1 3.75Å; L272-F286 HydrophobicContact CD1-CE1 4.18Å; L272-F286 HydrophobicContact CD2-CE1 4.44Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 3.44Å; E282-F286 VanDerWaalsContact O-N 3.08Å; F284-F286 VanDerWaalsContact C-N 3.3Å; F284-F286 PolarHBondContact O-N 2.84Å; F286-R290 VanDerWaalsContact CD2-NH1 3.31Å; F286-R290 PolarHBondContact O-NH1 3.33Å
287V89.1Confident82.6Confident0 Ų056.6 Ų56.60%026%0.263CS..Hα-helixtrans-73.9-37.7179.1-179.30000110.5L176 L182 L269 L272 A283 F284 D285 Q289 R290 R291 I294L176-V287 HydrophobicContact CD1-CG1 4.36Å; L176-V287 HydrophobicContact CD1-CG2 4.11Å; L176-V287 HydrophobicContact CD2-CB 4.47Å; L176-V287 HydrophobicContact CD2-CG1 4.11Å; L176-V287 HydrophobicContact CD2-CG2 4.26Å; L182-V287 HydrophobicContact CD2-CG1 3.71Å; L269-V287 HydrophobicContact CD2-CB 4.18Å; L269-V287 HydrophobicContact CD2-CG2 3.79Å; L272-V287 HydrophobicContact CD1-CG2 3.51Å; A283-V287 WeakPolarHBondContact O-CG2 3.43Å; A283-V287 PolarHBondContact O-N 3.34Å; A283-V287 VanDerWaalsContact O-N 3.16Å; F284-V287 PolarHBondContact O-N 3.48Å; D285-V287 PolarHBondContact O-N 2.86Å; V287-Q289 PolarHBondContact O-N 3.44Å; V287-R290 PolarHBondContact O-N 3.15Å; V287-R290 VanDerWaalsContact O-N 3.14Å; V287-R291 PolarHBondContact O-N 2.94Å; V287-I294 HydrophobicContact CB-CD1 3.83Å; V287-I294 HydrophobicContact CG1-CD1 3.63Å; V287-I294 HydrophobicContact CG1-CG1 4.21Å; V287-I294 HydrophobicContact CG1-CG2 4.01Å
288K86.8Confident81.9Confident24 Ų2453.7 Ų53.710%0.10426%0.259CS..Hα-helixtrans-62.5-41-179.8-168.168.8167.8-179.20112.6F39 F284 D285 R290 R291 H292 I294F39-K288 HydrophobicContact CZ-CD 4.45Å; F284-K288 HydrophobicContact CD1-CB 4.42Å; F284-K288 HydrophobicContact CE1-CB 4.36Å; F284-K288 HydrophobicContact CE1-CD 4.17Å; F284-K288 HydrophobicContact CE1-CG 4.37Å; F284-K288 VanDerWaalsContact O-CB 3.24Å; F284-K288 WeakPolarHBondContact O-CB 3.49Å; F284-K288 PolarHBondContact O-N 3.06Å; D285-K288 PolarHBondContact O-N 3.34Å; K288-R290 PolarHBondContact O-N 2.71Å; K288-R291 CarbonylContact O-C 3.55Å; K288-R291 VanDerWaalsContact O-C 3.24Å; K288-R291 PolarHBondContact O-N 3.46Å; K288-H292 WeakPolarHBondContact CD-O 3.44Å; K288-H292 WeakPolarHBondContact CE-O 3.5Å; K288-H292 PolarHBondContact NZ-O 2.92Å; K288-H292 WeakPolarHBondContact O-CA 3.3Å; K288-H292 PolarHBondContact O-N 3.38Å; K288-H292 VanDerWaalsContact O-N 3.1Å; K288-I294 HydrophobicContact CB-CD1 4.26Å; K288-I294 HydrophobicContact CB-CG1 4.27Å; K288-I294 HydrophobicContact CD-CD1 4.26Å; K288-I294 HydrophobicContact CD-CG1 3.59Å; K288-I294 PolarHBondContact NZ-O 3.42Å
289Q74.1Confident81.8Confident156 Ų15653 Ų5373%0.72926%0.257SS*.Hα-helixtrans-61.4-30.4175.9-72.8171.113.600112.9D285 V287D285-Q289 VanDerWaalsContact O-CG 3.29Å; D285-Q289 WeakPolarHBondContact O-CG 3.49Å; D285-Q289 PolarHBondContact O-N 2.88Å; V287-Q289 PolarHBondContact O-N 3.44Å
290R83.6Confident82.2Confident102 Ų10247.7 Ų47.739%0.38524%0.237SC..Hα-helixtrans-88.5-39.1-178.8-81.9170.4-17969.64.8112.4V174 E175 L176 F286 V287 K288V174-R290 HydrophobicContact CG1-CB 3.66Å; V174-R290 HydrophobicContact CG1-CG 4.28Å; E175-R290 WeakPolarHBondContact O-CD 3.44Å; L176-R290 HydrophobicContact CD2-CB 4.01Å; F286-R290 VanDerWaalsContact CD2-NH1 3.31Å; F286-R290 PolarHBondContact O-NH1 3.33Å; V287-R290 PolarHBondContact O-N 3.15Å; V287-R290 VanDerWaalsContact O-N 3.14Å; K288-R290 PolarHBondContact O-N 2.71Å
291R85.9Confident82.1Confident8 Ų849.6 Ų49.63%0.0325%0.246CC..  trans-13488.7175.8-172.6170.2178.783.3-5.4109.7Y168 D169 V174 L182 A259 G260 V287 K288 V293 I294Y168-R291 PolarHBondContact O-NH1 2.95Å; D169-R291 IonicContact OD1-CZ 3.3Å; D169-R291 IonicContact OD1-NH1 3.7Å; D169-R291 IonicContact OD1-NH2 3.64Å; D169-R291 PolarHBondContact OD1-NH2 3.36Å; V174-R291 HydrophobicContact CG2-CB 4.25Å; L182-R291 HydrophobicContact CD2-CB 4.4Å; A259-R291 PolarHBondContact O-NH2 3.23Å; A259-R291 VanDerWaalsContact O-NH2 3.15Å; G260-R291 PolarHBondContact O-NE 3.27Å; V287-R291 PolarHBondContact O-N 2.94Å; K288-R291 CarbonylContact O-C 3.55Å; K288-R291 VanDerWaalsContact O-C 3.24Å; K288-R291 PolarHBondContact O-N 3.46Å; R291-V293 HydrophobicContact CG-CG2 3.71Å; R291-V293 PolarHBondContact O-N 3.46Å; R291-I294 HydrophobicContact CB-CG2 4.04Å; R291-I294 HydrophobicContact CG-CG2 4.03Å; R291-I294 WeakPolarHBondContact O-CG1 3.39Å; R291-I294 WeakPolarHBondContact O-CG2 3.47Å; R291-I294 PolarHBondContact O-N 3Å
292H80.8Confident82Confident109 Ų10948 Ų4851%0.50525%0.246SC..THydrogen-bonded Turntrans-56.5-22.6-174.967-87.2000114.4K288 I294K288-H292 WeakPolarHBondContact CD-O 3.44Å; K288-H292 WeakPolarHBondContact CE-O 3.5Å; K288-H292 PolarHBondContact NZ-O 2.92Å; K288-H292 WeakPolarHBondContact O-CA 3.3Å; K288-H292 PolarHBondContact O-N 3.38Å; K288-H292 VanDerWaalsContact O-N 3.1Å; H292-I294 VanDerWaalsContact C-N 3.32Å; H292-I294 PolarHBondContact O-N 3.19Å
293V77.1Confident83.1Confident21 Ų2144.6 Ų44.613%0.12723%0.23CC..THydrogen-bonded Turntrans-78.6-7.9179.3-60.40000114.5Y168 I261 R291 S295Y168-V293 HydrophobicContact CD1-CG1 3.81Å; Y168-V293 HydrophobicContact CD2-CG2 4.15Å; Y168-V293 HydrophobicContact CG-CB 4.49Å; Y168-V293 HydrophobicContact CG-CG1 3.82Å; Y168-V293 HydrophobicContact CG-CG2 4.13Å; I261-V293 HydrophobicContact CG1-CB 4.28Å; I261-V293 HydrophobicContact CG1-CG2 4.07Å; I261-V293 WeakPolarHBondContact CG2-O 3.19Å; R291-V293 HydrophobicContact CG-CG2 3.71Å; R291-V293 PolarHBondContact O-N 3.46Å; V293-S295 PolarHBondContact O-N 2.89Å
294I85.9Confident83.8Confident0 Ų044.5 Ų44.50%023%0.23CC..  trans-60.5134.3-177.862.4141.6000111.4L182 I261 A265 F284 V287 K288 R291 H292L182-I294 HydrophobicContact CD2-CG2 3.72Å; I261-I294 WeakPolarHBondContact O-CA 3.35Å; A265-I294 HydrophobicContact CB-CB 3.9Å; A265-I294 HydrophobicContact CB-CG2 3.68Å; F284-I294 HydrophobicContact CD2-CD1 4.32Å; F284-I294 HydrophobicContact CE2-CD1 4.14Å; F284-I294 HydrophobicContact CZ-CD1 4.28Å; V287-I294 HydrophobicContact CB-CD1 3.83Å; V287-I294 HydrophobicContact CG1-CD1 3.63Å; V287-I294 HydrophobicContact CG1-CG1 4.21Å; V287-I294 HydrophobicContact CG1-CG2 4.01Å; K288-I294 HydrophobicContact CB-CD1 4.26Å; K288-I294 HydrophobicContact CB-CG1 4.27Å; K288-I294 HydrophobicContact CD-CD1 4.26Å; K288-I294 HydrophobicContact CD-CG1 3.59Å; K288-I294 PolarHBondContact NZ-O 3.42Å; R291-I294 HydrophobicContact CB-CG2 4.04Å; R291-I294 HydrophobicContact CG-CG2 4.03Å; R291-I294 WeakPolarHBondContact O-CG1 3.39Å; R291-I294 WeakPolarHBondContact O-CG2 3.47Å; R291-I294 PolarHBondContact O-N 3Å; H292-I294 VanDerWaalsContact C-N 3.32Å; H292-I294 PolarHBondContact O-N 3.19Å
295S80.6Confident83.8Confident55 Ų5546.2 Ų46.239%0.38524%0.24SC..  trans-160.477.3-179.9-176.40000108.3I261 V293 N297I261-S295 CarbonylContact O-C 3.36Å; I261-S295 PolarHBondContact O-N 3.2Å; V293-S295 PolarHBondContact O-N 2.89Å; S295-N297 PolarHBondContact O-N 3.22Å
296P88Confident84.5Confident8 Ų846 Ų465%0.05224%0.236CC..  trans-47138167.7-25.535.2000110.9A265 L269 F284 F300 M301A265-P296 HydrophobicContact CB-CG 4.46Å; L269-P296 HydrophobicContact CD1-CG 3.85Å; F284-P296 HydrophobicContact CE2-CG 4.32Å; P296-F300 HydrophobicContact CB-CB 4.33Å; P296-M301 HydrophobicContact CB-CG 4.05Å; P296-M301 HydrophobicContact CB-SD 3.73Å; P296-M301 HydrophobicContact CG-SD 3.93Å
297N83.4Confident85.3Confident25 Ų2543.2 Ų43.213%0.13422%0.224CC..  trans-62.3160.3174.578.554.9000110.5D226 T227 L228 S262 S295 A299 F300 M301D226-N297 PolarHBondContact OD1-ND2 3.22Å; T227-N297 PolarHBondContact O-ND2 3.39Å; L228-N297 HydrophobicContact CD2-CB 4.23Å; S262-N297 PolarHBondContact OG-N 3.5Å; S262-N297 VanDerWaalsContact OG-N 3.09Å; S295-N297 PolarHBondContact O-N 3.22Å; N297-A299 VanDerWaalsContact C-N 3.3Å; N297-A299 PolarHBondContact O-N 3.3Å; N297-A299 WeakPolarHBondContact OD1-CB 3.42Å; N297-A299 PolarHBondContact OD1-N 3.3Å; N297-F300 WeakPolarHBondContact ND2-CD2 3.4Å; N297-F300 WeakPolarHBondContact ND2-CE2 3.47Å; N297-F300 WeakPolarHBondContact ND2-CG 3.12Å; N297-F300 WeakPolarHBondContact ND2-CZ 3.49Å; N297-F300 WeakPolarHBondContact O-CB 3.45Å; N297-F300 PolarHBondContact O-N 2.89Å; N297-F300 VanDerWaalsContact O-N 3.09Å; N297-F300 PolarHBondContact OD1-N 2.75Å; N297-M301 PolarHBondContact O-N 3.48Å
298L69.3Low85.5Confident90 Ų9044 Ų4447%0.47123%0.228SC..Hα-helixtrans-59.8-38.2-173.6178.162.9000113.8S57 L228 F300 M301 G302S57-L298 WeakPolarHBondContact OG-CD1 3.21Å; S57-L298 WeakPolarHBondContact OG-CD2 3.46Å; S57-L298 WeakPolarHBondContact OG-CG 3.22Å; L228-L298 HydrophobicContact CD2-CB 4.23Å; L298-F300 VanDerWaalsContact C-N 3.3Å; L298-F300 PolarHBondContact O-N 3.12Å; L298-M301 PolarHBondContact O-N 3.41Å; L298-G302 PolarHBondContact O-N 3.19Å
299A74.3Confident85.7Confident22 Ų2246.2 Ų46.218%0.18224%0.243CC..Hα-helixtrans-65.9-38.9179.100000110.7L228 N297 G302 Q303L228-A299 HydrophobicContact CB-CB 4.17Å; L228-A299 HydrophobicContact CD2-CB 4Å; L228-A299 WeakPolarHBondContact O-CB 3.28Å; N297-A299 VanDerWaalsContact C-N 3.3Å; N297-A299 PolarHBondContact O-N 3.3Å; N297-A299 WeakPolarHBondContact OD1-CB 3.42Å; N297-A299 PolarHBondContact OD1-N 3.3Å; A299-G302 PolarHBondContact O-N 2.91Å; A299-Q303 WeakPolarHBondContact O-CG 3.35Å; A299-Q303 PolarHBondContact O-N 2.95Å
300F92.6Very high86.5Confident0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-66.3-38174.4-65.8-7.6000112.2V224 E225 A230 I232 S262 R263 T266 P296 N297 L298 G302 Q303 L304V224-F300 HydrophobicContact CG1-CZ 3.99Å; E225-F300 WeakPolarHBondContact O-CZ 3.48Å; A230-F300 HydrophobicContact CB-CE1 4Å; A230-F300 HydrophobicContact CB-CZ 4.21Å; I232-F300 HydrophobicContact CB-CD1 3.98Å; I232-F300 HydrophobicContact CB-CE1 3.7Å; I232-F300 HydrophobicContact CB-CZ 4.02Å; I232-F300 HydrophobicContact CD1-CD2 4.17Å; I232-F300 HydrophobicContact CD1-CE2 3.87Å; I232-F300 HydrophobicContact CD1-CZ 4.04Å; I232-F300 HydrophobicContact CG2-CB 4.21Å; I232-F300 HydrophobicContact CG2-CD1 3.27Å; I232-F300 HydrophobicContact CG2-CD2 4.25Å; I232-F300 HydrophobicContact CG2-CE1 3.56Å; I232-F300 HydrophobicContact CG2-CE2 4.49Å; I232-F300 HydrophobicContact CG2-CG 3.65Å; I232-F300 HydrophobicContact CG2-CZ 4.17Å; S262-F300 WeakPolarHBondContact OG-CD2 3.44Å; R263-F300 HydrophobicContact CB-CE2 4.45Å; R263-F300 HydrophobicContact CG-CE2 3.58Å; R263-F300 HydrophobicContact CG-CZ 4.16Å; T266-F300 HydrophobicContact CG2-CB 3.94Å; T266-F300 HydrophobicContact CG2-CD2 4.49Å; T266-F300 HydrophobicContact CG2-CG 4.36Å; P296-F300 HydrophobicContact CB-CB 4.33Å; N297-F300 WeakPolarHBondContact ND2-CD2 3.4Å; N297-F300 WeakPolarHBondContact ND2-CE2 3.47Å; N297-F300 WeakPolarHBondContact ND2-CG 3.12Å; N297-F300 WeakPolarHBondContact ND2-CZ 3.49Å; N297-F300 WeakPolarHBondContact O-CB 3.45Å; N297-F300 PolarHBondContact O-N 2.89Å; N297-F300 VanDerWaalsContact O-N 3.09Å; N297-F300 PolarHBondContact OD1-N 2.75Å; L298-F300 VanDerWaalsContact C-N 3.3Å; L298-F300 PolarHBondContact O-N 3.12Å; F300-G302 VanDerWaalsContact C-N 3.34Å; F300-G302 PolarHBondContact O-N 2.73Å; F300-Q303 PolarHBondContact O-N 3.31Å; F300-L304 WeakPolarHBondContact O-CB 3.26Å; F300-L304 WeakPolarHBondContact O-CG 3.39Å; F300-L304 PolarHBondContact O-N 2.92Å
301M88.6Confident86.6Confident46 Ų4636.5 Ų36.523%0.22720%0.204CC..Hα-helixtrans-60.8-42.9171.5-70.5-56.9-6300111.9L280 F284 P296 N297 L298 Q303 L304 L305L280-M301 HydrophobicContact CD2-CE 3.89Å; L280-M301 HydrophobicContact CG-CE 4.35Å; F284-M301 HydrophobicContact CD2-CE 4.21Å; F284-M301 HydrophobicContact CD2-SD 4.33Å; F284-M301 HydrophobicContact CE2-CE 4.39Å; F284-M301 HydrophobicContact CE2-SD 4.2Å; P296-M301 HydrophobicContact CB-CG 4.05Å; P296-M301 HydrophobicContact CB-SD 3.73Å; P296-M301 HydrophobicContact CG-SD 3.93Å; N297-M301 PolarHBondContact O-N 3.48Å; L298-M301 PolarHBondContact O-N 3.41Å; M301-Q303 VanDerWaalsContact C-N 3.34Å; M301-Q303 PolarHBondContact O-N 2.84Å; M301-L304 PolarHBondContact O-N 3.25Å; M301-L304 HydrophobicContact SD-CD1 4.05Å; M301-L305 WeakPolarHBondContact O-CG 3.43Å; M301-L305 PolarHBondContact O-N 2.8Å
302G78.8Confident86.2Confident36 Ų3638.9 Ų38.937%0.37122%0.217SC..Hα-helixtrans-61.8-40.517400000113L298 A299 F300 L305 Q306L298-G302 PolarHBondContact O-N 3.19Å; A299-G302 PolarHBondContact O-N 2.91Å; F300-G302 VanDerWaalsContact C-N 3.34Å; F300-G302 PolarHBondContact O-N 2.73Å; G302-L305 PolarHBondContact O-N 3.39Å; G302-Q306 PolarHBondContact O-N 2.99Å
303Q95.7Very high85.5Confident33 Ų3338.6 Ų38.615%0.15423%0.226CC..Hα-helixtrans-67.5-35.8175.8-75.8176.449.200112.9A230 D231 R233 A299 F300 M301 Q306 F307A230-Q303 PolarHBondContact O-NE2 3.41Å; D231-Q303 PolarHBondContact OD1-OE1 3.38Å; R233-Q303 HydrophobicContact CB-CB 4.1Å; R233-Q303 HydrophobicContact CB-CG 4.36Å; A299-Q303 WeakPolarHBondContact O-CG 3.35Å; A299-Q303 PolarHBondContact O-N 2.95Å; F300-Q303 PolarHBondContact O-N 3.31Å; M301-Q303 VanDerWaalsContact C-N 3.34Å; M301-Q303 PolarHBondContact O-N 2.84Å; Q303-Q306 PolarHBondContact O-N 3.48Å; Q303-F307 WeakPolarHBondContact O-CB 3.4Å; Q303-F307 PolarHBondContact O-N 2.76Å
304L97.4Very high84.3Confident0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-66.4-42.1173.4-75.9167.3000111.9F236 T266 L269 A270 M273 L280 F300 M301 Q306 F307 E308F236-L304 HydrophobicContact CE2-CD2 4.03Å; F236-L304 HydrophobicContact CZ-CD2 3.74Å; F236-L304 HydrophobicContact CZ-CG 4.25Å; T266-L304 HydrophobicContact CG2-CD1 3.81Å; T266-L304 HydrophobicContact CG2-CD2 3.98Å; T266-L304 HydrophobicContact CG2-CG 3.83Å; L269-L304 HydrophobicContact CB-CD1 4.2Å; L269-L304 HydrophobicContact CB-CD2 4.12Å; L269-L304 HydrophobicContact CD1-CD1 3.84Å; A270-L304 HydrophobicContact CB-CD2 3.94Å; M273-L304 HydrophobicContact CE-CB 4.27Å; M273-L304 HydrophobicContact CE-CD2 3.58Å; L280-L304 HydrophobicContact CD1-CB 3.89Å; L280-L304 HydrophobicContact CD1-CD1 3.96Å; L280-L304 HydrophobicContact CD1-CG 4.36Å; L280-L304 HydrophobicContact CD2-CB 3.73Å; L280-L304 HydrophobicContact CG-CB 4.47Å; F300-L304 WeakPolarHBondContact O-CB 3.26Å; F300-L304 WeakPolarHBondContact O-CG 3.39Å; F300-L304 PolarHBondContact O-N 2.92Å; M301-L304 PolarHBondContact O-N 3.25Å; M301-L304 HydrophobicContact SD-CD1 4.05Å; L304-Q306 VanDerWaalsContact C-N 3.31Å; L304-Q306 PolarHBondContact O-N 3.1Å; L304-F307 PolarHBondContact O-N 3.31Å; L304-E308 WeakPolarHBondContact O-CB 3.2Å; L304-E308 PolarHBondContact O-N 2.69Å
305L91.1Very high82.1Confident81 Ų8151.4 Ų51.442%0.42432%0.317SS..Hα-helixtrans-61.6-40.5174.5-74.1167.5000111.9L280 M301 G302 T309L280-L305 HydrophobicContact CD2-CD2 3.71Å; L280-L305 HydrophobicContact CD2-CG 3.74Å; M301-L305 WeakPolarHBondContact O-CG 3.43Å; M301-L305 PolarHBondContact O-N 2.8Å; G302-L305 PolarHBondContact O-N 3.39Å; L305-T309 PolarHBondContact O-N 3.38Å; L305-T309 VanDerWaalsContact O-N 3.14Å; L305-T309 PolarHBondContact O-OG1 3.13Å
306Q92.7Very high82.2Confident89 Ų8951.2 Ų51.242%0.41631%0.314SS..Hα-helixtrans-63.5-45174.8-173.36156.100110.8G302 Q303 L304 T309 D310G302-Q306 PolarHBondContact O-N 2.99Å; Q303-Q306 PolarHBondContact O-N 3.48Å; L304-Q306 VanDerWaalsContact C-N 3.31Å; L304-Q306 PolarHBondContact O-N 3.1Å; Q306-T309 WeakPolarHBondContact O-CB 3.27Å; Q306-T309 PolarHBondContact O-N 3.33Å; Q306-D310 PolarHBondContact NE2-OD1 3.03Å; Q306-D310 PolarHBondContact O-N 2.95Å; Q306-D310 VanDerWaalsContact O-N 3.08Å
307F96.3Very high81.9Confident2 Ų253.5 Ų53.51%0.00933%0.328CS..Hα-helixtrans-64.6-40.4178.2-176.5-114.2000113F236 I240 A270 M273 H274 Q303 L304 T309 D310 I311F236-F307 HydrophobicContact CB-CE2 4.29Å; F236-F307 HydrophobicContact CB-CZ 4.31Å; F236-F307 HydrophobicContact CD2-CB 3.9Å; F236-F307 AromaticContact CD2-CD1 3.71Å; F236-F307 HydrophobicContact CD2-CD1 3.71Å; F236-F307 AromaticContact CD2-CD2 3.72Å; F236-F307 HydrophobicContact CD2-CD2 3.72Å; F236-F307 HydrophobicContact CD2-CE1 4.11Å; F236-F307 HydrophobicContact CD2-CE2 4.11Å; F236-F307 AromaticContact CD2-CG 3.49Å; F236-F307 HydrophobicContact CD2-CG 3.49Å; F236-F307 VanDerWaalsContact CD2-CG 3.49Å; F236-F307 HydrophobicContact CD2-CZ 4.29Å; F236-F307 HydrophobicContact CE2-CB 3.75Å; F236-F307 HydrophobicContact CE2-CD1 4.03Å; F236-F307 HydrophobicContact CE2-CD2 4.44Å; F236-F307 AromaticContact CE2-CG 3.83Å; F236-F307 HydrophobicContact CE2-CG 3.83Å; I240-F307 HydrophobicContact CD1-CE1 4.33Å; I240-F307 HydrophobicContact CD1-CZ 3.84Å; A270-F307 HydrophobicContact CB-CD1 4.16Å; A270-F307 HydrophobicContact CB-CE1 4.01Å; M273-F307 HydrophobicContact CE-CD1 4.01Å; H274-F307 HydrophobicContact CB-CE1 4.26Å; H274-F307 HydrophobicContact CB-CZ 4.3Å; Q303-F307 WeakPolarHBondContact O-CB 3.4Å; Q303-F307 PolarHBondContact O-N 2.76Å; L304-F307 PolarHBondContact O-N 3.31Å; F307-T309 VanDerWaalsContact C-N 3.28Å; F307-T309 PolarHBondContact O-N 3.18Å; F307-D310 PolarHBondContact O-N 2.98Å; F307-D310 VanDerWaalsContact O-N 3.17Å; F307-I311 HydrophobicContact CD1-CD1 3.92Å; F307-I311 HydrophobicContact CD1-CG2 4.45Å; F307-I311 HydrophobicContact CD2-CG2 3.99Å; F307-I311 HydrophobicContact CE1-CD1 3.64Å; F307-I311 HydrophobicContact CE1-CG2 4.06Å; F307-I311 HydrophobicContact CE2-CG2 3.57Å; F307-I311 HydrophobicContact CG-CG2 4.43Å; F307-I311 HydrophobicContact CZ-CD1 4.21Å; F307-I311 HydrophobicContact CZ-CG2 3.61Å; F307-I311 WeakPolarHBondContact O-CG1 3.43Å; F307-I311 WeakPolarHBondContact O-CG2 3.27Å; F307-I311 PolarHBondContact O-N 3.42Å
308E93.8Very high81.8Confident17 Ų1755.1 Ų55.18%0.07934%0.338CS..Hα-helixtrans-54.2-46.7172.3-179.7-174.7-146.500110.9M273 R279 L280 L304 D310 I311 L312M273-E308 HydrophobicContact SD-CB 3.96Å; M273-E308 HydrophobicContact SD-CG 4.3Å; R279-E308 WeakPolarHBondContact CA-OE1 3.41Å; R279-E308 WeakPolarHBondContact CB-OE1 3.31Å; R279-E308 IonicContact NH1-OE1 3.22Å; L280-E308 PolarHBondContact N-OE1 3.16Å; L304-E308 WeakPolarHBondContact O-CB 3.2Å; L304-E308 PolarHBondContact O-N 2.69Å; E308-D310 PolarHBondContact O-N 3.13Å; E308-I311 PolarHBondContact O-N 3.24Å; E308-L312 HydrophobicContact CG-CD1 3.65Å; E308-L312 HydrophobicContact CG-CG 4.3Å; E308-L312 VanDerWaalsContact O-CB 3.31Å; E308-L312 WeakPolarHBondContact O-CB 3.27Å; E308-L312 WeakPolarHBondContact O-CG 3.47Å; E308-L312 PolarHBondContact O-N 3.33Å
309T89.7Confident82.6Confident70 Ų7053 Ų5343%0.42933%0.331SS..Hα-helixtrans-60.1-45.8177.1-54.60000111.1L305 Q306 F307 I311 C313L305-T309 PolarHBondContact O-N 3.38Å; L305-T309 VanDerWaalsContact O-N 3.14Å; L305-T309 PolarHBondContact O-OG1 3.13Å; Q306-T309 WeakPolarHBondContact O-CB 3.27Å; Q306-T309 PolarHBondContact O-N 3.33Å; F307-T309 VanDerWaalsContact C-N 3.28Å; F307-T309 PolarHBondContact O-N 3.18Å; T309-I311 PolarHBondContact O-N 3.22Å; T309-C313 WeakPolarHBondContact O-CB 3.31Å; T309-C313 PolarHBondContact O-N 3.09Å; T309-C313 VanDerWaalsContact O-N 3.09Å; T309-C313 PolarHBondContact O-SG 3.29Å
310D90.5Very high83.1Confident39 Ų3954.9 Ų54.921%0.20934%0.34CS..Hα-helixtrans-63.7-40.7-178-51.5-36.5000112.3R233 Q306 F307 E308 Q314R233-D310 IonicContact CZ-OD2 3.67Å; R233-D310 VanDerWaalsContact CZ-OD2 3.24Å; R233-D310 IonicContact NE-OD2 2.8Å; R233-D310 PolarHBondContact NE-OD2 3.22Å; R233-D310 IonicContact NH2-OD1 3.3Å; R233-D310 IonicContact NH2-OD2 3.65Å; R233-D310 PolarHBondContact NH2-OD2 3.42Å; Q306-D310 PolarHBondContact NE2-OD1 3.03Å; Q306-D310 PolarHBondContact O-N 2.95Å; Q306-D310 VanDerWaalsContact O-N 3.08Å; F307-D310 PolarHBondContact O-N 2.98Å; F307-D310 VanDerWaalsContact O-N 3.17Å; E308-D310 PolarHBondContact O-N 3.13Å; D310-Q314 WeakPolarHBondContact O-CB 3.41Å; D310-Q314 VanDerWaalsContact O-CD 3.25Å; D310-Q314 WeakPolarHBondContact O-CG 3.45Å
311I87.4Confident82.5Confident15 Ų1558.6 Ų58.68%0.07736%0.363CS..Hα-helixtrans-88.7-24.4-17371.6-172.6000113.7M273 H274 R277 F307 E308 T309M273-I311 HydrophobicContact CB-CD1 3.79Å; H274-I311 HydrophobicContact CB-CD1 4.31Å; R277-I311 PolarHBondContact NH1-O 2.83Å; F307-I311 HydrophobicContact CD1-CD1 3.92Å; F307-I311 HydrophobicContact CD1-CG2 4.45Å; F307-I311 HydrophobicContact CD2-CG2 3.99Å; F307-I311 HydrophobicContact CE1-CD1 3.64Å; F307-I311 HydrophobicContact CE1-CG2 4.06Å; F307-I311 HydrophobicContact CE2-CG2 3.57Å; F307-I311 HydrophobicContact CG-CG2 4.43Å; F307-I311 HydrophobicContact CZ-CD1 4.21Å; F307-I311 HydrophobicContact CZ-CG2 3.61Å; F307-I311 WeakPolarHBondContact O-CG1 3.43Å; F307-I311 WeakPolarHBondContact O-CG2 3.27Å; F307-I311 PolarHBondContact O-N 3.42Å; E308-I311 PolarHBondContact O-N 3.24Å; T309-I311 PolarHBondContact O-N 3.22Å
312L76.6Confident82Confident59 Ų5959.5 Ų59.531%0.30937%0.372SS..Hα-helixtrans-95.9-24.4-179.9-61.9-175.2000113.1R279 E308R279-L312 HydrophobicContact CG-CD1 4.22Å; E308-L312 HydrophobicContact CG-CD1 3.65Å; E308-L312 HydrophobicContact CG-CG 4.3Å; E308-L312 VanDerWaalsContact O-CB 3.31Å; E308-L312 WeakPolarHBondContact O-CB 3.27Å; E308-L312 WeakPolarHBondContact O-CG 3.47Å; E308-L312 PolarHBondContact O-N 3.33Å
313C66Low82.3Confident103 Ų10361.3 Ų61.370%0.69637%0.372SS*.THydrogen-bonded Turntrans-87.2-10174.8-63.60000113.9T309T309-C313 WeakPolarHBondContact O-CB 3.31Å; T309-C313 PolarHBondContact O-N 3.09Å; T309-C313 VanDerWaalsContact O-N 3.09Å; T309-C313 PolarHBondContact O-SG 3.29Å
314Q52.8Low81.2Confident167 Ų16763.7 Ų63.778%0.7839%0.391SS*.THydrogen-bonded Turntrans-9918.1177.6-66.3-177.510.900113.4D310D310-Q314 WeakPolarHBondContact O-CB 3.41Å; D310-Q314 VanDerWaalsContact O-CD 3.25Å; D310-Q314 WeakPolarHBondContact O-CG 3.45Å
315G39.8Very low79.7Confident122 Ų12269.5 Ų69.5100%1.25843%0.426SS*.  trans-111.40-179.100000113.2

Retrieved 315 of 315 residues in 712.3 ms (Link to these results)

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