A0A087XI69_POEFO Loading...

Calcium release activated channel regulator 2A

AlphaFold DB , UniProt , Accession A0A087XI69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 689 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
1G48.8Very low62.2Low105 Ų10590.1 Ų90.1100%1.08251%0.505SS*.  0-141.7000000109.9I3 A4G1-I3 PolarHBondContact O-N 3.14Å; G1-A4 PolarHBondContact O-N 3.1Å
2H44.4Very low63.2Low129 Ų12986.5 Ų86.560%0.59748%0.48SS*.Hα-helixtrans-50.4-41.7-169.7-84.2-79.4000116.8A4 L5 L6 H72H2-A4 PolarHBondContact O-N 2.9Å; H2-L5 WeakPolarHBondContact O-CB 3.19Å; H2-L5 PolarHBondContact O-N 3.15Å; H2-L5 VanDerWaalsContact O-N 3.08Å; H2-L6 PolarHBondContact O-N 3.47Å; H2-H72 AromaticContact CE1-CE1 3.87Å; H2-H72 AromaticContact CE1-NE2 3.63Å
3I52.2Low64.3Low130 Ų13080.5 Ų80.567%0.66745%0.446SS*.Hα-helixtrans-58.2-53.4-174.3-59.2172.9000110.9G1 L5 L6 D7G1-I3 PolarHBondContact O-N 3.14Å; I3-L5 PolarHBondContact O-N 3Å; I3-L5 VanDerWaalsContact O-N 3.13Å; I3-L6 WeakPolarHBondContact O-CB 3.35Å; I3-L6 PolarHBondContact O-N 2.98Å; I3-D7 WeakPolarHBondContact CG2-OD2 3.33Å; I3-D7 PolarHBondContact O-N 2.95Å
4A57.9Low65.2Low62 Ų6285.1 Ų85.151%0.51246%0.462SS..Hα-helixtrans-63.9-19178.200000114.5G1 H2 K8G1-A4 PolarHBondContact O-N 3.1Å; H2-A4 PolarHBondContact O-N 2.9Å; A4-K8 WeakPolarHBondContact O-CG 3.44Å; A4-K8 PolarHBondContact O-N 3.27Å
5L60.7Low65.8Low59 Ų5983.4 Ų83.431%0.30946%0.456SS..Hα-helixtrans-80.6-41171.8-171.871.4000111H2 I3 T9 L71H2-L5 WeakPolarHBondContact O-CB 3.19Å; H2-L5 PolarHBondContact O-N 3.15Å; H2-L5 VanDerWaalsContact O-N 3.08Å; I3-L5 PolarHBondContact O-N 3Å; I3-L5 VanDerWaalsContact O-N 3.13Å; L5-T9 WeakPolarHBondContact O-CB 3.41Å; L5-T9 PolarHBondContact O-N 3.25Å; L5-T9 PolarHBondContact O-OG1 2.92Å; L5-L71 HydrophobicContact CD1-CD1 4.21Å
6L64.4Low66.3Low79 Ų7978.4 Ų78.441%0.41443%0.429SS..Hα-helixtrans-62.8-42.5175.4-73.1166.1000111.4H2 I3 T9 K10H2-L6 PolarHBondContact O-N 3.47Å; I3-L6 WeakPolarHBondContact O-CB 3.35Å; I3-L6 PolarHBondContact O-N 2.98Å; L6-T9 WeakPolarHBondContact O-CB 3.49Å; L6-T9 PolarHBondContact O-N 3.44Å; L6-T9 VanDerWaalsContact O-N 3.12Å; L6-K10 WeakPolarHBondContact O-CG 3.44Å; L6-K10 PolarHBondContact O-N 3.45Å
7D66.2Low67Low70 Ų7074.7 Ų74.737%0.37441%0.409SS..Hα-helixtrans-68.6-40.7-179.5-62.4-38.2000112I3 T9 K10 E11I3-D7 WeakPolarHBondContact CG2-OD2 3.33Å; I3-D7 PolarHBondContact O-N 2.95Å; D7-T9 PolarHBondContact O-N 3.38Å; D7-K10 WeakPolarHBondContact O-CB 3.42Å; D7-K10 PolarHBondContact O-N 3.05Å; D7-K10 IonicContact OD1-NZ 3.48Å; D7-K10 PolarHBondContact OD1-NZ 3.03Å; D7-E11 WeakPolarHBondContact O-CB 3.41Å; D7-E11 PolarHBondContact O-N 3.33Å
8K70.6Confident67Low141 Ų14176.9 Ų76.961%0.61342%0.424SS*.Hα-helixtrans-63.2-29.1168.8-74.1-171.7173.5-162.70113.6A4 F12A4-K8 WeakPolarHBondContact O-CG 3.44Å; A4-K8 PolarHBondContact O-N 3.27Å; K8-F12 WeakPolarHBondContact O-CB 3.48Å; K8-F12 PolarHBondContact O-N 3.21Å
9T71.2Confident67.2Low4 Ų478.4 Ų78.43%0.02543%0.428CS..Hα-helixtrans-73.7-33.8175.5-55.70000111.6L5 L6 D7 F13 F63 F67L5-T9 WeakPolarHBondContact O-CB 3.41Å; L5-T9 PolarHBondContact O-N 3.25Å; L5-T9 PolarHBondContact O-OG1 2.92Å; L6-T9 WeakPolarHBondContact O-CB 3.49Å; L6-T9 PolarHBondContact O-N 3.44Å; L6-T9 VanDerWaalsContact O-N 3.12Å; D7-T9 PolarHBondContact O-N 3.38Å; T9-F13 WeakPolarHBondContact O-CB 3.41Å; T9-F13 PolarHBondContact O-N 2.94Å; T9-F63 HydrophobicContact CG2-CD1 3.87Å; T9-F63 HydrophobicContact CG2-CE1 3.67Å; T9-F67 HydrophobicContact CG2-CB 4.31Å; T9-F67 HydrophobicContact CG2-CD1 3.71Å; T9-F67 HydrophobicContact CG2-CG 4.42Å
10K73.1Confident67.4Low90 Ų9077.7 Ų77.739%0.39144%0.44SS..Hα-helixtrans-68.6-43.4170.2-62.6166.1-166.1162.80111.9L6 D7 F13 Q14 L60L6-K10 WeakPolarHBondContact O-CG 3.44Å; L6-K10 PolarHBondContact O-N 3.45Å; D7-K10 WeakPolarHBondContact O-CB 3.42Å; D7-K10 PolarHBondContact O-N 3.05Å; D7-K10 IonicContact OD1-NZ 3.48Å; D7-K10 PolarHBondContact OD1-NZ 3.03Å; K10-F13 WeakPolarHBondContact O-CB 3.34Å; K10-F13 PolarHBondContact O-N 3.48Å; K10-Q14 WeakPolarHBondContact O-CG 3.35Å; K10-Q14 PolarHBondContact O-N 3Å; K10-L60 HydrophobicContact CG-CD1 4.42Å
11E74.6Confident67.8Low122 Ų12277.5 Ų77.557%0.5743%0.434SS*.Hα-helixtrans-57-49.8175.3-176.5178.1-153.900110.4D7 F13 Q14 T15D7-E11 WeakPolarHBondContact O-CB 3.41Å; D7-E11 PolarHBondContact O-N 3.33Å; E11-F13 PolarHBondContact O-N 3.42Å; E11-Q14 WeakPolarHBondContact O-CB 3.48Å; E11-Q14 PolarHBondContact O-N 3.05Å; E11-Q14 VanDerWaalsContact O-N 3.15Å; E11-T15 PolarHBondContact O-N 2.74Å; E11-T15 PolarHBondContact O-OG1 3.29Å; E11-T15 VanDerWaalsContact O-OG1 3.04Å
12F74.8Confident69Low47 Ų4774.5 Ų74.521%0.20640%0.403CS..Hα-helixtrans-62.3-39.5174.5-170.2-93.3000112.7K8 Q14 T15 C16 M29 L32 L36 F63 F67K8-F12 WeakPolarHBondContact O-CB 3.48Å; K8-F12 PolarHBondContact O-N 3.21Å; F12-Q14 VanDerWaalsContact C-N 3.3Å; F12-Q14 PolarHBondContact O-N 2.66Å; F12-T15 WeakPolarHBondContact O-CB 3.48Å; F12-T15 PolarHBondContact O-N 3.27Å; F12-T15 VanDerWaalsContact O-N 3.12Å; F12-C16 PolarHBondContact O-N 2.97Å; F12-C16 PolarHBondContact O-SG 3.45Å; F12-M29 HydrophobicContact CE1-CE 4.12Å; F12-M29 HydrophobicContact CZ-CE 4.42Å; F12-L32 HydrophobicContact CE1-CD1 4.43Å; F12-L32 HydrophobicContact CZ-CD1 4.04Å; F12-L36 HydrophobicContact CE2-CD1 3.95Å; F12-L36 HydrophobicContact CZ-CD1 3.95Å; F12-F63 HydrophobicContact CD1-CE1 4.1Å; F12-F63 AromaticContact CD1-CZ 3.71Å; F12-F63 HydrophobicContact CD1-CZ 3.71Å; F12-F63 AromaticContact CE1-CZ 4Å; F12-F63 HydrophobicContact CE1-CZ 4Å; F12-F67 HydrophobicContact CE1-CZ 4.49Å
13F77.4Confident70.7Confident9 Ų972 Ų724%0.03939%0.391CS..Hα-helixtrans-60.2-39.4173.8-174.7-79.6000112T9 K10 E11 T15 C16 D17 I24 L60 F63T9-F13 WeakPolarHBondContact O-CB 3.41Å; T9-F13 PolarHBondContact O-N 2.94Å; K10-F13 WeakPolarHBondContact O-CB 3.34Å; K10-F13 PolarHBondContact O-N 3.48Å; E11-F13 PolarHBondContact O-N 3.42Å; F13-T15 VanDerWaalsContact C-N 3.34Å; F13-C16 WeakPolarHBondContact O-CB 3.38Å; F13-C16 PolarHBondContact O-N 3.02Å; F13-D17 HydrophobicContact CD1-CB 4.42Å; F13-D17 HydrophobicContact CE1-CB 4.15Å; F13-D17 WeakPolarHBondContact O-CB 3.3Å; F13-D17 PolarHBondContact O-N 2.87Å; F13-I24 HydrophobicContact CD2-CD1 3.31Å; F13-I24 HydrophobicContact CD2-CG1 3.89Å; F13-I24 HydrophobicContact CE2-CD1 3.55Å; F13-I24 HydrophobicContact CE2-CG1 3.64Å; F13-I24 HydrophobicContact CG-CD1 3.97Å; F13-I24 HydrophobicContact CG-CG1 4.47Å; F13-I24 HydrophobicContact CZ-CD1 4.37Å; F13-I24 HydrophobicContact CZ-CG1 4.03Å; F13-L60 HydrophobicContact CB-CD1 3.84Å; F13-L60 HydrophobicContact CD1-CB 4.48Å; F13-L60 HydrophobicContact CD1-CD1 3.71Å; F13-L60 HydrophobicContact CD2-CB 4.44Å; F13-L60 HydrophobicContact CD2-CD1 3.84Å; F13-L60 HydrophobicContact CE1-CB 4.13Å; F13-L60 HydrophobicContact CE1-CD1 4.22Å; F13-L60 VanDerWaalsContact CE2-CA 3.42Å; F13-L60 HydrophobicContact CE2-CB 4.08Å; F13-L60 HydrophobicContact CE2-CD1 4.33Å; F13-L60 HydrophobicContact CG-CD1 3.51Å; F13-L60 HydrophobicContact CZ-CB 3.91Å; F13-L60 HydrophobicContact CZ-CD1 4.5Å; F13-F63 HydrophobicContact CB-CD1 4.16Å; F13-F63 HydrophobicContact CB-CE1 4.34Å; F13-F63 HydrophobicContact CD2-CB 3.83Å; F13-F63 AromaticContact CD2-CD1 3.7Å; F13-F63 HydrophobicContact CD2-CD1 3.7Å; F13-F63 HydrophobicContact CD2-CE1 4.49Å; F13-F63 AromaticContact CD2-CG 3.83Å; F13-F63 HydrophobicContact CD2-CG 3.83Å; F13-F63 HydrophobicContact CE2-CB 4.03Å; F13-F63 HydrophobicContact CE2-CG 4.42Å; F13-F63 HydrophobicContact CG-CD1 4.44Å
14Q76.6Confident72.1Confident144 Ų14465.9 Ų65.967%0.67336%0.359SS*.Hα-helixtrans-68.4-31.6174.7-69.3171.9-0.500112.3K10 E11 F12K10-Q14 WeakPolarHBondContact O-CG 3.35Å; K10-Q14 PolarHBondContact O-N 3Å; E11-Q14 WeakPolarHBondContact O-CB 3.48Å; E11-Q14 PolarHBondContact O-N 3.05Å; E11-Q14 VanDerWaalsContact O-N 3.15Å; F12-Q14 VanDerWaalsContact C-N 3.3Å; F12-Q14 PolarHBondContact O-N 2.66Å
15T73.6Confident73.3Confident60 Ų6064.1 Ų64.137%0.36834%0.342SS..Hα-helixtrans-65.8-37.6170.2-41.20000111.9E11 F12 F13 V18 L32E11-T15 PolarHBondContact O-N 2.74Å; E11-T15 PolarHBondContact O-OG1 3.29Å; E11-T15 VanDerWaalsContact O-OG1 3.04Å; F12-T15 WeakPolarHBondContact O-CB 3.48Å; F12-T15 PolarHBondContact O-N 3.27Å; F12-T15 VanDerWaalsContact O-N 3.12Å; F13-T15 VanDerWaalsContact C-N 3.34Å; T15-V18 VanDerWaalsContact O-CG2 3.25Å; T15-V18 WeakPolarHBondContact O-CG2 3.42Å; T15-L32 HydrophobicContact CG2-CD2 4.21Å
16C74.2Confident74.2Confident3 Ų366.5 Ų66.52%0.0235%0.347CS..Hα-helixtrans-67.7-44.9173.8-58.90000112.5F12 F13 V18 I24F12-C16 PolarHBondContact O-N 2.97Å; F12-C16 PolarHBondContact O-SG 3.45Å; F13-C16 WeakPolarHBondContact O-CB 3.38Å; F13-C16 PolarHBondContact O-N 3.02Å; C16-V18 PolarHBondContact O-N 3.13Å; C16-I24 HydrophobicContact CB-CD1 3.4Å; C16-I24 HydrophobicContact CB-CG1 3.57Å; C16-I24 HydrophobicContact CB-CG2 4.13Å
17D77.8Confident74.8Confident16 Ų1666.4 Ų66.49%0.08635%0.35CS..  trans-94.157.5-172.2-170.216.1000112.8F13 E19 G20 K21 G22F13-D17 HydrophobicContact CD1-CB 4.42Å; F13-D17 HydrophobicContact CE1-CB 4.15Å; F13-D17 WeakPolarHBondContact O-CB 3.3Å; F13-D17 PolarHBondContact O-N 2.87Å; D17-E19 PolarHBondContact O-N 2.84Å; D17-G20 PolarHBondContact O-N 2.86Å; D17-G20 PolarHBondContact OD1-N 2.92Å; D17-G20 VanDerWaalsContact OD1-N 3.1Å; D17-K21 VanDerWaalsContact CG-N 3.27Å; D17-K21 PolarHBondContact OD1-N 3.44Å; D17-K21 PolarHBondContact OD2-N 3.36Å; D17-G22 WeakPolarHBondContact OD2-CA 3.4Å; D17-G22 PolarHBondContact OD2-N 3.01Å
18V68Low75.4Confident114 Ų11463.3 Ų63.369%0.69133%0.333SS*.THydrogen-bonded Turntrans-57.9-19178.1-169.40000113T15 C16T15-V18 VanDerWaalsContact O-CG2 3.25Å; T15-V18 WeakPolarHBondContact O-CG2 3.42Å; C16-V18 PolarHBondContact O-N 3.13Å
19E69.9Low75.6Confident106 Ų10656.9 Ų56.950%0.49531%0.306SS..THydrogen-bonded Turntrans-99.10.9179.6-70.4171.6-140.100113.2D17 K21 R31D17-E19 PolarHBondContact O-N 2.84Å; E19-K21 HydrophobicContact CB-CD 4.26Å; E19-K21 HydrophobicContact CB-CG 4.22Å; E19-K21 VanDerWaalsContact CD-NZ 3.29Å; E19-K21 PolarHBondContact O-N 3.41Å; E19-K21 IonicContact OE1-NZ 2.88Å; E19-K21 WeakPolarHBondContact OE2-CE 3.13Å; E19-K21 IonicContact OE2-NZ 3.34Å; E19-K21 PolarHBondContact OE2-NZ 3.14Å; E19-R31 IonicContact OE1-CZ 3.77Å; E19-R31 IonicContact OE1-NH1 3.77Å; E19-R31 PolarHBondContact OE1-NH1 2.93Å; E19-R31 IonicContact OE1-NH2 3Å; E19-R31 PolarHBondContact OE1-NH2 3.45Å
20G72Confident75.8Confident64 Ų6462.8 Ų62.866%0.6633%0.327SS*.  trans67.431.617100000115.5D17D17-G20 PolarHBondContact O-N 2.86Å; D17-G20 PolarHBondContact OD1-N 2.92Å; D17-G20 VanDerWaalsContact OD1-N 3.1Å
21K75.1Confident75.7Confident73 Ų7364.4 Ų64.432%0.31733%0.331SS..  trans-78.6-21-172.3-64.8164.4-177.9151.90114.4D17 E19 F23 D28D17-K21 VanDerWaalsContact CG-N 3.27Å; D17-K21 PolarHBondContact OD1-N 3.44Å; D17-K21 PolarHBondContact OD2-N 3.36Å; E19-K21 HydrophobicContact CB-CD 4.26Å; E19-K21 HydrophobicContact CB-CG 4.22Å; E19-K21 VanDerWaalsContact CD-NZ 3.29Å; E19-K21 PolarHBondContact O-N 3.41Å; E19-K21 IonicContact OE1-NZ 2.88Å; E19-K21 WeakPolarHBondContact OE2-CE 3.13Å; E19-K21 IonicContact OE2-NZ 3.34Å; E19-K21 PolarHBondContact OE2-NZ 3.14Å; K21-F23 VanDerWaalsContact C-N 3.28Å; K21-F23 HydrophobicContact CB-CD1 3.96Å; K21-F23 HydrophobicContact CB-CE1 3.8Å; K21-F23 HydrophobicContact CB-CE2 4.46Å; K21-F23 HydrophobicContact CB-CG 4.38Å; K21-F23 HydrophobicContact CB-CZ 4.06Å; K21-F23 HydrophobicContact CD-CE2 4.29Å; K21-F23 HydrophobicContact CD-CZ 4.28Å; K21-F23 HydrophobicContact CG-CZ 4.49Å; K21-F23 WeakPolarHBondContact O-CD1 3.45Å; K21-D28 IonicContact NZ-OD1 2.65Å; K21-D28 PolarHBondContact NZ-OD1 3.35Å; K21-D28 IonicContact NZ-OD2 3.17Å
22G75.1Confident75.4Confident42 Ų4258.9 Ų58.943%0.43331%0.305SS..SBendtrans79.94.9-169.500000114.3D17D17-G22 WeakPolarHBondContact OD2-CA 3.4Å; D17-G22 PolarHBondContact OD2-N 3.01Å
23F80.4Confident75.1Confident77 Ų7761.1 Ų61.134%0.33832%0.316SS..EExtended strand (participates in β ladder)trans-150.6142.5177.362.1-92.1000112.2K21 T25 Y57 L58K21-F23 VanDerWaalsContact C-N 3.28Å; K21-F23 HydrophobicContact CB-CD1 3.96Å; K21-F23 HydrophobicContact CB-CE1 3.8Å; K21-F23 HydrophobicContact CB-CE2 4.46Å; K21-F23 HydrophobicContact CB-CG 4.38Å; K21-F23 HydrophobicContact CB-CZ 4.06Å; K21-F23 HydrophobicContact CD-CE2 4.29Å; K21-F23 HydrophobicContact CD-CZ 4.28Å; K21-F23 HydrophobicContact CG-CZ 4.49Å; K21-F23 WeakPolarHBondContact O-CD1 3.45Å; F23-T25 HydrophobicContact CD2-CG2 3.99Å; F23-T25 HydrophobicContact CE2-CG2 3.85Å; F23-Y57 HydrophobicContact CB-CD2 4.47Å; F23-L58 CarbonylContact C-O 3.52Å; F23-L58 VanDerWaalsContact CA-O 3.25Å; F23-L58 WeakPolarHBondContact CA-O 3.27Å
24I81.2Confident74.4Confident1 Ų171.7 Ų71.71%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-94132.3176.5-58.4167.3000109F13 C16 D28 M29 F47 Y57 L58 F63F13-I24 HydrophobicContact CD2-CD1 3.31Å; F13-I24 HydrophobicContact CD2-CG1 3.89Å; F13-I24 HydrophobicContact CE2-CD1 3.55Å; F13-I24 HydrophobicContact CE2-CG1 3.64Å; F13-I24 HydrophobicContact CG-CD1 3.97Å; F13-I24 HydrophobicContact CG-CG1 4.47Å; F13-I24 HydrophobicContact CZ-CD1 4.37Å; F13-I24 HydrophobicContact CZ-CG1 4.03Å; C16-I24 HydrophobicContact CB-CD1 3.4Å; C16-I24 HydrophobicContact CB-CG1 3.57Å; C16-I24 HydrophobicContact CB-CG2 4.13Å; I24-D28 HydrophobicContact CG2-CB 4.27Å; I24-M29 HydrophobicContact CG2-CB 4.22Å; I24-M29 HydrophobicContact CG2-CG 4.26Å; I24-F47 HydrophobicContact CG2-CE2 4.22Å; I24-F47 WeakPolarHBondContact O-CE2 3.46Å; I24-Y57 CarbonylContact O-C 3.5Å; I24-Y57 VanDerWaalsContact O-CA 3.31Å; I24-Y57 WeakPolarHBondContact O-CA 3.45Å; I24-L58 PolarHBondContact N-O 2.99Å; I24-L58 PolarHBondContact O-N 2.89Å; I24-F63 HydrophobicContact CD1-CD2 4.04Å; I24-F63 HydrophobicContact CD1-CE2 4.23Å; I24-F63 HydrophobicContact CD1-CG 4.25Å
25T82Confident73.8Confident26 Ų2671.5 Ų71.516%0.1636%0.355CS..EExtended strand (participates in β ladder)trans-101.2163.8168.174.10000111.8F23 T27 D28 M29 F47F23-T25 HydrophobicContact CD2-CG2 3.99Å; F23-T25 HydrophobicContact CE2-CG2 3.85Å; T25-T27 PolarHBondContact O-N 2.98Å; T25-T27 VanDerWaalsContact O-N 3.11Å; T25-T27 PolarHBondContact OG1-N 3.5Å; T25-T27 PolarHBondContact OG1-OG1 3.26Å; T25-D28 VanDerWaalsContact CB-OD2 3.3Å; T25-D28 WeakPolarHBondContact CB-OD2 3.37Å; T25-D28 PolarHBondContact N-OD2 3.4Å; T25-D28 PolarHBondContact O-N 3.32Å; T25-D28 VanDerWaalsContact OG1-CG 3.31Å; T25-D28 PolarHBondContact OG1-N 2.74Å; T25-D28 PolarHBondContact OG1-OD2 3.21Å; T25-M29 PolarHBondContact O-N 2.98Å; T25-M29 VanDerWaalsContact O-N 3.09Å; T25-F47 VanDerWaalsContact C-CE2 3.41Å
26R79.3Confident73.5Confident109 Ų10971.3 Ų71.341%0.41135%0.351SS..Hα-helixtrans-47.9-38.8170-74.5-179.8170.3162.3-4.4112.7D28 R30 F47 D48R26-D28 VanDerWaalsContact C-N 3.34Å; R26-D28 PolarHBondContact O-N 3.12Å; R26-R30 WeakPolarHBondContact O-CB 3.42Å; R26-R30 PolarHBondContact O-N 3.3Å; R26-R30 VanDerWaalsContact O-N 3.15Å; R26-F47 HydrophobicContact CB-CD1 4.48Å; R26-F47 HydrophobicContact CG-CD1 3.36Å; R26-F47 HydrophobicContact CG-CD2 4.39Å; R26-F47 HydrophobicContact CG-CE1 3.47Å; R26-F47 VanDerWaalsContact CG-CE1 3.47Å; R26-F47 HydrophobicContact CG-CE2 4.47Å; R26-F47 HydrophobicContact CG-CG 3.87Å; R26-F47 HydrophobicContact CG-CZ 4.04Å; R26-D48 IonicContact CZ-OD1 2.67Å; R26-D48 IonicContact CZ-OD2 3.63Å; R26-D48 IonicContact NE-OD1 3.19Å; R26-D48 PolarHBondContact NE-OD1 3.39Å; R26-D48 IonicContact NE-OD2 3.81Å; R26-D48 IonicContact NH2-OD1 3.85Å; R26-D48 PolarHBondContact NH2-OD1 2.98Å; R26-D48 IonicContact NH2-OD2 2.72Å; R26-D48 PolarHBondContact NH2-OD2 3.3Å
27T76.9Confident72.9Confident77 Ų7777.5 Ų77.547%0.47239%0.391SS..Hα-helixtrans-67.7-30.4179.212.10000113.8T25 R31T25-T27 PolarHBondContact O-N 2.98Å; T25-T27 VanDerWaalsContact O-N 3.11Å; T25-T27 PolarHBondContact OG1-N 3.5Å; T25-T27 PolarHBondContact OG1-OG1 3.26Å; T27-R31 WeakPolarHBondContact O-CG 3.48Å
28D79.1Confident72.6Confident5 Ų580.1 Ų80.13%0.02741%0.405CS..Hα-helixtrans-81.5-46179.7-51.9-56.1000110K21 I24 T25 R26 R30 R31K21-D28 IonicContact NZ-OD1 2.65Å; K21-D28 PolarHBondContact NZ-OD1 3.35Å; K21-D28 IonicContact NZ-OD2 3.17Å; I24-D28 HydrophobicContact CG2-CB 4.27Å; T25-D28 VanDerWaalsContact CB-OD2 3.3Å; T25-D28 WeakPolarHBondContact CB-OD2 3.37Å; T25-D28 PolarHBondContact N-OD2 3.4Å; T25-D28 PolarHBondContact O-N 3.32Å; T25-D28 VanDerWaalsContact OG1-CG 3.31Å; T25-D28 PolarHBondContact OG1-N 2.74Å; T25-D28 PolarHBondContact OG1-OD2 3.21Å; R26-D28 VanDerWaalsContact C-N 3.34Å; R26-D28 PolarHBondContact O-N 3.12Å; D28-R30 PolarHBondContact O-N 2.91Å; D28-R31 VanDerWaalsContact O-CB 3.32Å; D28-R31 WeakPolarHBondContact O-CB 3.18Å; D28-R31 PolarHBondContact O-N 3.05Å; D28-R31 IonicContact OD1-CZ 3.4Å; D28-R31 IonicContact OD1-NH1 2.72Å; D28-R31 IonicContact OD1-NH2 3.3Å
29M75.9Confident72.9Confident6 Ų676.8 Ų76.83%0.0339%0.387CS..Hα-helixtrans-55.2-39.6174.6-131.1-73.1175.200112F12 I24 T25 R31 L32 L43 V46 F47F12-M29 HydrophobicContact CE1-CE 4.12Å; F12-M29 HydrophobicContact CZ-CE 4.42Å; I24-M29 HydrophobicContact CG2-CB 4.22Å; I24-M29 HydrophobicContact CG2-CG 4.26Å; T25-M29 PolarHBondContact O-N 2.98Å; T25-M29 VanDerWaalsContact O-N 3.09Å; M29-R31 VanDerWaalsContact C-N 3.29Å; M29-R31 PolarHBondContact O-N 2.87Å; M29-L32 WeakPolarHBondContact O-CB 3.45Å; M29-L32 PolarHBondContact O-N 2.77Å; M29-L32 HydrophobicContact SD-CD1 4.2Å; M29-L43 HydrophobicContact SD-CB 4.2Å; M29-L43 HydrophobicContact SD-CD2 3.89Å; M29-V46 HydrophobicContact CE-CG1 3.89Å; M29-F47 HydrophobicContact CB-CB 4.5Å; M29-F47 HydrophobicContact CB-CD2 3.98Å; M29-F47 HydrophobicContact CG-CB 4.42Å; M29-F47 HydrophobicContact CG-CD2 4.08Å
30R74.4Confident72.9Confident128 Ų12873.4 Ų73.448%0.48338%0.377SS..G310 helixtrans-68.1-18.7176.5-165.617965-178.6-1.6114.4R26 D28 L32 H33 A40R26-R30 WeakPolarHBondContact O-CB 3.42Å; R26-R30 PolarHBondContact O-N 3.3Å; R26-R30 VanDerWaalsContact O-N 3.15Å; D28-R30 PolarHBondContact O-N 2.91Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-L32 PolarHBondContact O-N 3.42Å; R30-H33 WeakPolarHBondContact O-CB 3.4Å; R30-A40 HydrophobicContact CG-CB 4.13Å
31R72.3Confident72.8Confident124 Ų12477.7 Ų77.747%0.46838%0.38SS..G310 helixtrans-67.7-30.2176.3-67.8169.7-178.7-176.3-0.8111.8E19 T27 D28 M29 H33 R34E19-R31 IonicContact OE1-CZ 3.77Å; E19-R31 IonicContact OE1-NH1 3.77Å; E19-R31 PolarHBondContact OE1-NH1 2.93Å; E19-R31 IonicContact OE1-NH2 3Å; E19-R31 PolarHBondContact OE1-NH2 3.45Å; T27-R31 WeakPolarHBondContact O-CG 3.48Å; D28-R31 VanDerWaalsContact O-CB 3.32Å; D28-R31 WeakPolarHBondContact O-CB 3.18Å; D28-R31 PolarHBondContact O-N 3.05Å; D28-R31 IonicContact OD1-CZ 3.4Å; D28-R31 IonicContact OD1-NH1 2.72Å; D28-R31 IonicContact OD1-NH2 3.3Å; M29-R31 VanDerWaalsContact C-N 3.29Å; M29-R31 PolarHBondContact O-N 2.87Å; R31-H33 PolarHBondContact O-N 2.67Å; R31-R34 PolarHBondContact O-N 3.48Å
32L68.4Low72.8Confident6 Ų678.8 Ų78.83%0.03139%0.386CS..G310 helixtrans-64.7-10.2-178.2-58.6168.9000114.1F12 T15 M29 R30 R34 E35 L36 L43F12-L32 HydrophobicContact CE1-CD1 4.43Å; F12-L32 HydrophobicContact CZ-CD1 4.04Å; T15-L32 HydrophobicContact CG2-CD2 4.21Å; M29-L32 WeakPolarHBondContact O-CB 3.45Å; M29-L32 PolarHBondContact O-N 2.77Å; M29-L32 HydrophobicContact SD-CD1 4.2Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-L32 PolarHBondContact O-N 3.42Å; L32-R34 PolarHBondContact O-N 3.31Å; L32-E35 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CB-CD1 4.02Å; L32-L36 HydrophobicContact CB-CG 4.44Å; L32-L36 HydrophobicContact CD1-CD1 4.44Å; L32-L36 PolarHBondContact O-N 3Å; L32-L43 HydrophobicContact CB-CD1 4.41Å
33H67.4Low72.7Confident93 Ų9377 Ų7743%0.43137%0.366SS..G310 helixtrans-54.2-19.2169.6-172.6-84000114R30 R31 L38 S39 A40 L43R30-H33 WeakPolarHBondContact O-CB 3.4Å; R31-H33 PolarHBondContact O-N 2.67Å; H33-L38 PolarHBondContact CD2-O 3.03Å; H33-S39 VanDerWaalsContact CD2-C 3.4Å; H33-A40 PolarHBondContact CD2-N 3.13Å; H33-A40 PolarHBondContact NE2-N 3.02Å; H33-L43 HydrophobicContact CB-CD1 4.04Å
34R63.6Low72.4Confident231 Ų23177.2 Ų77.287%0.87237%0.369SS*.G310 helixtrans-86.6-11.3176.2-68.4-176.5169.7-166.4-5.6113.9R31 L32R31-R34 PolarHBondContact O-N 3.48Å; L32-R34 PolarHBondContact O-N 3.31Å
35E63.8Low72Confident141 Ų14182.4 Ų82.466%0.65940%0.396SS*.THydrogen-bonded Turntrans-127.1-21.3-168.5-65.1173.5-171.400112.5L32L32-E35 PolarHBondContact O-N 3.47Å
36L67.4Low71.6Confident56 Ų5682.1 Ų82.129%0.29340%0.395SS..SBendtrans-115.9145.1176.4-61.2175.4000111.2F12 L32 L38 L43F12-L36 HydrophobicContact CE2-CD1 3.95Å; F12-L36 HydrophobicContact CZ-CD1 3.95Å; L32-L36 HydrophobicContact CB-CD1 4.02Å; L32-L36 HydrophobicContact CB-CG 4.44Å; L32-L36 HydrophobicContact CD1-CD1 4.44Å; L32-L36 PolarHBondContact O-N 3Å; L36-L38 PolarHBondContact O-N 3.16Å; L36-L43 HydrophobicContact CD1-CD2 4.36Å
37P61.9Low71.5Confident132 Ų13277 Ų7786%0.85738%0.375SS*.SBendtrans-80.852.1178.136.1-37.6000112.1
38L70.6Confident71.5Confident72 Ų7276.1 Ų76.138%0.37737%0.367SS..SBendtrans-131.6140.5180-67.6174.6000109.8H33 L36 L43H33-L38 PolarHBondContact CD2-O 3.03Å; L36-L38 PolarHBondContact O-N 3.16Å; L38-L43 HydrophobicContact CB-CD1 4.47Å; L38-L43 HydrophobicContact CB-CD2 4.07Å; L38-L43 HydrophobicContact CB-CG 3.99Å; L38-L43 HydrophobicContact CD1-CD2 3.92Å
39S74.7Confident71.3Confident43 Ų4378.3 Ų78.330%0.30138%0.383SS..  trans-71160.5-17970.70000112.9H33 E41 E42 L43H33-S39 VanDerWaalsContact CD2-C 3.4Å; S39-E41 PolarHBondContact O-N 3.3Å; S39-E42 WeakPolarHBondContact CB-OE2 3.43Å; S39-E42 PolarHBondContact N-OE2 2.72Å; S39-E42 PolarHBondContact O-N 3.09Å; S39-E42 VanDerWaalsContact OG-CD 3.29Å; S39-E42 VanDerWaalsContact OG-CG 3.24Å; S39-E42 WeakPolarHBondContact OG-CG 3.48Å; S39-E42 PolarHBondContact OG-N 3.43Å; S39-E42 PolarHBondContact OG-OE2 3.37Å; S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.01Å
40A68.9Low71.2Confident35 Ų3578.1 Ų78.129%0.28938%0.383SS..THydrogen-bonded Turntrans-68.9-19.2-174.600000112.5R30 H33R30-A40 HydrophobicContact CG-CB 4.13Å; H33-A40 PolarHBondContact CD2-N 3.13Å; H33-A40 PolarHBondContact NE2-N 3.02Å
41E70.6Confident71.5Confident155 Ų15572.3 Ų72.372%0.72436%0.361SS*.THydrogen-bonded Turntrans-84.2-45.2174.9-62.4178.7173.900110S39 L43 Q44 D45S39-E41 PolarHBondContact O-N 3.3Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 2.91Å; E41-Q44 CarbonylContact O-C 3.59Å; E41-Q44 WeakPolarHBondContact O-CA 3.34Å; E41-Q44 WeakPolarHBondContact O-CB 3.4Å; E41-Q44 PolarHBondContact O-N 2.79Å; E41-D45 PolarHBondContact O-N 3.42Å
42E74.4Confident71.3Confident96 Ų9670.6 Ų70.645%0.44937%0.365SS..Hα-helixtrans-60.2-39.4174-71.7165.6121.700113S39 Q44 D45 V46S39-E42 WeakPolarHBondContact CB-OE2 3.43Å; S39-E42 PolarHBondContact N-OE2 2.72Å; S39-E42 PolarHBondContact O-N 3.09Å; S39-E42 VanDerWaalsContact OG-CD 3.29Å; S39-E42 VanDerWaalsContact OG-CG 3.24Å; S39-E42 WeakPolarHBondContact OG-CG 3.48Å; S39-E42 PolarHBondContact OG-N 3.43Å; S39-E42 PolarHBondContact OG-OE2 3.37Å; E42-Q44 VanDerWaalsContact C-N 3.27Å; E42-Q44 PolarHBondContact O-N 2.79Å; E42-D45 PolarHBondContact O-N 3.36Å; E42-V46 VanDerWaalsContact O-CG2 3.32Å; E42-V46 WeakPolarHBondContact O-CG2 3.45Å; E42-V46 PolarHBondContact O-N 2.9Å
43L72.9Confident71.5Confident3 Ų375.2 Ų75.22%0.01639%0.389CS..Hα-helixtrans-66.7-29.3174-70.6170.4000112.3M29 L32 H33 L36 L38 S39 E41 F47M29-L43 HydrophobicContact SD-CB 4.2Å; M29-L43 HydrophobicContact SD-CD2 3.89Å; L32-L43 HydrophobicContact CB-CD1 4.41Å; H33-L43 HydrophobicContact CB-CD1 4.04Å; L36-L43 HydrophobicContact CD1-CD2 4.36Å; L38-L43 HydrophobicContact CB-CD1 4.47Å; L38-L43 HydrophobicContact CB-CD2 4.07Å; L38-L43 HydrophobicContact CB-CG 3.99Å; L38-L43 HydrophobicContact CD1-CD2 3.92Å; S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.01Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 2.91Å; L43-F47 PolarHBondContact O-N 3.1Å; L43-F47 VanDerWaalsContact O-N 3.1Å
44Q75.3Confident71.6Confident83 Ų8381.4 Ų81.439%0.38841%0.409SS..Hα-helixtrans-75.6-40.2174.2-166.4178.9-65.900111.5E41 E42 V46 F47 D48E41-Q44 CarbonylContact O-C 3.59Å; E41-Q44 WeakPolarHBondContact O-CA 3.34Å; E41-Q44 WeakPolarHBondContact O-CB 3.4Å; E41-Q44 PolarHBondContact O-N 2.79Å; E42-Q44 VanDerWaalsContact C-N 3.27Å; E42-Q44 PolarHBondContact O-N 2.79Å; Q44-V46 VanDerWaalsContact C-N 3.31Å; Q44-V46 PolarHBondContact O-N 3Å; Q44-F47 PolarHBondContact O-N 2.96Å; Q44-D48 WeakPolarHBondContact O-CB 3.24Å; Q44-D48 PolarHBondContact O-N 3.4Å
45D72.6Confident72Confident110 Ų11072.6 Ų72.659%0.58839%0.385SS*.Hα-helixtrans-62.1-38.2172.1-78.3-11.9000111.7E41 E42 D48 S49E41-D45 PolarHBondContact O-N 3.42Å; E42-D45 PolarHBondContact O-N 3.36Å; D45-D48 PolarHBondContact O-N 3.33Å; D45-S49 WeakPolarHBondContact O-CB 3.38Å; D45-S49 PolarHBondContact O-N 3.2Å; D45-S49 PolarHBondContact O-OG 2.95Å
46V73.8Confident72.4Confident20 Ų2067.4 Ų67.412%0.12137%0.369CS..Hα-helixtrans-61.8-48.7172168.80000110.4M29 E42 Q44 D48 S49 L50 F70M29-V46 HydrophobicContact CE-CG1 3.89Å; E42-V46 VanDerWaalsContact O-CG2 3.32Å; E42-V46 WeakPolarHBondContact O-CG2 3.45Å; E42-V46 PolarHBondContact O-N 2.9Å; Q44-V46 VanDerWaalsContact C-N 3.31Å; Q44-V46 PolarHBondContact O-N 3Å; V46-D48 PolarHBondContact O-N 3.29Å; V46-S49 PolarHBondContact O-N 3.1Å; V46-S49 PolarHBondContact O-OG 2.67Å; V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 WeakPolarHBondContact O-CD1 3.37Å; V46-L50 VanDerWaalsContact O-CG 3.29Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.19Å; V46-F70 HydrophobicContact CG2-CZ 4.12Å
47F77.6Confident72.9Confident1 Ų170.8 Ų70.80%0.00438%0.379CS..Hα-helixtrans-57.7-48.3175.3-173.2-77.3000111.7I24 T25 R26 M29 L43 Q44 S49 L50 D51 L58I24-F47 HydrophobicContact CG2-CE2 4.22Å; I24-F47 WeakPolarHBondContact O-CE2 3.46Å; T25-F47 VanDerWaalsContact C-CE2 3.41Å; R26-F47 HydrophobicContact CB-CD1 4.48Å; R26-F47 HydrophobicContact CG-CD1 3.36Å; R26-F47 HydrophobicContact CG-CD2 4.39Å; R26-F47 HydrophobicContact CG-CE1 3.47Å; R26-F47 VanDerWaalsContact CG-CE1 3.47Å; R26-F47 HydrophobicContact CG-CE2 4.47Å; R26-F47 HydrophobicContact CG-CG 3.87Å; R26-F47 HydrophobicContact CG-CZ 4.04Å; M29-F47 HydrophobicContact CB-CB 4.5Å; M29-F47 HydrophobicContact CB-CD2 3.98Å; M29-F47 HydrophobicContact CG-CB 4.42Å; M29-F47 HydrophobicContact CG-CD2 4.08Å; L43-F47 PolarHBondContact O-N 3.1Å; L43-F47 VanDerWaalsContact O-N 3.1Å; Q44-F47 PolarHBondContact O-N 2.96Å; F47-S49 PolarHBondContact O-N 3.15Å; F47-L50 CarbonylContact O-C 3.56Å; F47-L50 PolarHBondContact O-N 3.43Å; F47-D51 HydrophobicContact CD1-CB 4.02Å; F47-D51 HydrophobicContact CE1-CB 3.62Å; F47-D51 HydrophobicContact CZ-CB 4.41Å; F47-D51 PolarHBondContact O-N 3.36Å; F47-L58 HydrophobicContact CD2-CD1 3.82Å; F47-L58 HydrophobicContact CE2-CB 4.48Å; F47-L58 HydrophobicContact CE2-CD1 3.64Å; F47-L58 HydrophobicContact CE2-CG 3.89Å; F47-L58 HydrophobicContact CG-CD1 4.35Å; F47-L58 HydrophobicContact CZ-CD1 4.02Å; F47-L58 HydrophobicContact CZ-CG 3.88Å
48D76.6Confident73.8Confident58 Ų5864.7 Ų64.731%0.3134%0.339SS..Hα-helixtrans-70.8-19.9-176.3-76.86.1000112.9R26 Q44 D45 V46R26-D48 IonicContact CZ-OD1 2.67Å; R26-D48 IonicContact CZ-OD2 3.63Å; R26-D48 IonicContact NE-OD1 3.19Å; R26-D48 PolarHBondContact NE-OD1 3.39Å; R26-D48 IonicContact NE-OD2 3.81Å; R26-D48 IonicContact NH2-OD1 3.85Å; R26-D48 PolarHBondContact NH2-OD1 2.98Å; R26-D48 IonicContact NH2-OD2 2.72Å; R26-D48 PolarHBondContact NH2-OD2 3.3Å; Q44-D48 WeakPolarHBondContact O-CB 3.24Å; Q44-D48 PolarHBondContact O-N 3.4Å; D45-D48 PolarHBondContact O-N 3.33Å; V46-D48 PolarHBondContact O-N 3.29Å
49S74.4Confident74.3Confident51 Ų5164.1 Ų64.136%0.35734%0.339SS..Hα-helixtrans-78.8-19.2168.576.30000114.3D45 V46 F47 F70D45-S49 WeakPolarHBondContact O-CB 3.38Å; D45-S49 PolarHBondContact O-N 3.2Å; D45-S49 PolarHBondContact O-OG 2.95Å; V46-S49 PolarHBondContact O-N 3.1Å; V46-S49 PolarHBondContact O-OG 2.67Å; F47-S49 PolarHBondContact O-N 3.15Å; S49-F70 VanDerWaalsContact OG-CE2 3.31Å; S49-F70 WeakPolarHBondContact OG-CE2 3.05Å
50L74.6Confident74.4Confident3 Ų365.6 Ų65.62%0.01634%0.343CS..Hα-helixtrans-97.5-31.4178-63.6166.7000111.7V46 F47 T52 L58 F63 R66 F67 F70V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 WeakPolarHBondContact O-CD1 3.37Å; V46-L50 VanDerWaalsContact O-CG 3.29Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.19Å; F47-L50 CarbonylContact O-C 3.56Å; F47-L50 PolarHBondContact O-N 3.43Å; L50-T52 PolarHBondContact O-N 2.87Å; L50-T52 VanDerWaalsContact O-N 3.16Å; L50-L58 HydrophobicContact CB-CD1 3.71Å; L50-L58 HydrophobicContact CB-CD2 4.42Å; L50-L58 HydrophobicContact CD1-CD1 4.46Å; L50-F63 HydrophobicContact CD1-CD2 4.24Å; L50-F63 HydrophobicContact CD1-CE2 3.92Å; L50-R66 HydrophobicContact CD2-CB 3.85Å; L50-R66 WeakPolarHBondContact O-CD 3.43Å; L50-R66 PolarHBondContact O-NH1 3.27Å; L50-F67 HydrophobicContact CD1-CD2 4.04Å; L50-F67 HydrophobicContact CD2-CB 4.22Å; L50-F67 HydrophobicContact CD2-CD2 4.44Å; L50-F70 HydrophobicContact CD2-CB 4.14Å
51D79.3Confident74.6Confident5 Ų571.7 Ų71.73%0.02737%0.365CS..  trans-86.659.5172.1-172.319.1000111.4F47 D53 R54 A55 G56 L58F47-D51 HydrophobicContact CD1-CB 4.02Å; F47-D51 HydrophobicContact CE1-CB 3.62Å; F47-D51 HydrophobicContact CZ-CB 4.41Å; F47-D51 PolarHBondContact O-N 3.36Å; D51-D53 PolarHBondContact O-N 2.95Å; D51-R54 PolarHBondContact O-N 3.04Å; D51-R54 VanDerWaalsContact O-N 3.08Å; D51-R54 WeakPolarHBondContact OD1-CA 3.45Å; D51-R54 PolarHBondContact OD1-N 3.41Å; D51-R54 WeakPolarHBondContact OD2-CA 3.37Å; D51-A55 PolarHBondContact OD1-N 3.5Å; D51-A55 PolarHBondContact OD2-N 3.31Å; D51-G56 WeakPolarHBondContact OD2-CA 3.31Å; D51-G56 PolarHBondContact OD2-N 2.73Å; D51-L58 HydrophobicContact CB-CD2 4.03Å; D51-L58 HydrophobicContact CB-CG 4.44Å
52T69.2Low74.8Confident89 Ų8965.4 Ų65.455%0.54634%0.34SS..THydrogen-bonded Turntrans-54.1-25.1174.6500000113.3L50 R66L50-T52 PolarHBondContact O-N 2.87Å; L50-T52 VanDerWaalsContact O-N 3.16Å; T52-R66 PolarHBondContact OG1-NH1 3.35Å; T52-R66 PolarHBondContact OG1-NH2 2.7Å
53D71.6Confident74.9Confident102 Ų10260.9 Ų60.955%0.54532%0.319SS..THydrogen-bonded Turntrans-93-9.6-172.5-39.8-29.9000111.6D51 A55 R66D51-D53 PolarHBondContact O-N 2.95Å; D53-A55 VanDerWaalsContact C-N 3.25Å; D53-A55 PolarHBondContact O-N 2.94Å; D53-R66 IonicContact OD1-CZ 2.98Å; D53-R66 IonicContact OD1-NH1 3.4Å; D53-R66 IonicContact OD1-NH2 3.65Å; D53-R66 PolarHBondContact OD1-NH2 3.19Å; D53-R66 IonicContact OD2-CZ 3.06Å; D53-R66 IonicContact OD2-NH1 3.87Å; D53-R66 PolarHBondContact OD2-NH1 2.74Å; D53-R66 IonicContact OD2-NH2 2.76Å; D53-R66 PolarHBondContact OD2-NH2 3.43Å
54R70.3Confident74.9Confident224 Ų22461.5 Ų61.585%0.84532%0.324SS*.  trans55.436.3-174.4-57.9-177.9173.7-167.5-3.3113.4D51 G56D51-R54 PolarHBondContact O-N 3.04Å; D51-R54 VanDerWaalsContact O-N 3.08Å; D51-R54 WeakPolarHBondContact OD1-CA 3.45Å; D51-R54 PolarHBondContact OD1-N 3.41Å; D51-R54 WeakPolarHBondContact OD2-CA 3.37Å; R54-G56 VanDerWaalsContact C-N 3.26Å; R54-G56 PolarHBondContact O-N 3.48Å
55A71.4Confident74.7Confident46 Ų4660.9 Ų60.938%0.3833%0.328SS..  trans-68.8-25.1177.400000112.5D51 D53 Y57D51-A55 PolarHBondContact OD1-N 3.5Å; D51-A55 PolarHBondContact OD2-N 3.31Å; D53-A55 VanDerWaalsContact C-N 3.25Å; D53-A55 PolarHBondContact O-N 2.94Å; A55-Y57 HydrophobicContact CB-CD1 4.21Å; A55-Y57 HydrophobicContact CB-CE1 4Å; A55-Y57 WeakPolarHBondContact O-CD1 3.43Å; A55-Y57 VanDerWaalsContact O-CE1 3.3Å; A55-Y57 WeakPolarHBondContact O-CE1 3.45Å; A55-Y57 PolarHBondContact O-N 2.96Å
56G72.3Confident74.8Confident31 Ų3158.5 Ų58.532%0.3231%0.311SS..SBendtrans82.1-3.8-174.400000114.2D51 R54D51-G56 WeakPolarHBondContact OD2-CA 3.31Å; D51-G56 PolarHBondContact OD2-N 2.73Å; R54-G56 VanDerWaalsContact C-N 3.26Å; R54-G56 PolarHBondContact O-N 3.48Å
57Y79.3Confident74.7Confident128 Ų12859 Ų5950%0.50231%0.312SS..EExtended strand (participates in β ladder)trans-144.6143.8178.459.2-86.5000111.1F23 I24 A55F23-Y57 HydrophobicContact CB-CD2 4.47Å; I24-Y57 CarbonylContact O-C 3.5Å; I24-Y57 VanDerWaalsContact O-CA 3.31Å; I24-Y57 WeakPolarHBondContact O-CA 3.45Å; A55-Y57 HydrophobicContact CB-CD1 4.21Å; A55-Y57 HydrophobicContact CB-CE1 4Å; A55-Y57 WeakPolarHBondContact O-CD1 3.43Å; A55-Y57 VanDerWaalsContact O-CE1 3.3Å; A55-Y57 WeakPolarHBondContact O-CE1 3.45Å; A55-Y57 PolarHBondContact O-N 2.96Å
58L79.7Confident74.1Confident3 Ų359.7 Ų59.72%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-116.1116.7179.7-68.4171.9000110.2F23 I24 F47 L50 D51 F63F23-L58 CarbonylContact C-O 3.52Å; F23-L58 VanDerWaalsContact CA-O 3.25Å; F23-L58 WeakPolarHBondContact CA-O 3.27Å; I24-L58 PolarHBondContact N-O 2.99Å; I24-L58 PolarHBondContact O-N 2.89Å; F47-L58 HydrophobicContact CD2-CD1 3.82Å; F47-L58 HydrophobicContact CE2-CB 4.48Å; F47-L58 HydrophobicContact CE2-CD1 3.64Å; F47-L58 HydrophobicContact CE2-CG 3.89Å; F47-L58 HydrophobicContact CG-CD1 4.35Å; F47-L58 HydrophobicContact CZ-CD1 4.02Å; F47-L58 HydrophobicContact CZ-CG 3.88Å; L50-L58 HydrophobicContact CB-CD1 3.71Å; L50-L58 HydrophobicContact CB-CD2 4.42Å; L50-L58 HydrophobicContact CD1-CD1 4.46Å; D51-L58 HydrophobicContact CB-CD2 4.03Å; D51-L58 HydrophobicContact CB-CG 4.44Å; L58-F63 HydrophobicContact CD1-CD2 4.3Å
59T81.3Confident73.6Confident61 Ų6163.4 Ų63.437%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-74.1160.317361.50000111.3E61 A62 F63T59-E61 VanDerWaalsContact C-N 3.26Å; T59-E61 PolarHBondContact O-N 2.82Å; T59-A62 PolarHBondContact O-N 2.73Å; T59-A62 WeakPolarHBondContact OG1-CB 3.44Å; T59-F63 WeakPolarHBondContact O-CB 3.39Å; T59-F63 PolarHBondContact O-N 3.28Å
60L76.6Confident73.2Confident73 Ų7362.9 Ų62.938%0.38233%0.326SS..Hα-helixtrans-53.8-39.4-179.4178.562.6000113.4K10 F13 S64K10-L60 HydrophobicContact CG-CD1 4.42Å; F13-L60 HydrophobicContact CB-CD1 3.84Å; F13-L60 HydrophobicContact CD1-CB 4.48Å; F13-L60 HydrophobicContact CD1-CD1 3.71Å; F13-L60 HydrophobicContact CD2-CB 4.44Å; F13-L60 HydrophobicContact CD2-CD1 3.84Å; F13-L60 HydrophobicContact CE1-CB 4.13Å; F13-L60 HydrophobicContact CE1-CD1 4.22Å; F13-L60 VanDerWaalsContact CE2-CA 3.42Å; F13-L60 HydrophobicContact CE2-CB 4.08Å; F13-L60 HydrophobicContact CE2-CD1 4.33Å; F13-L60 HydrophobicContact CG-CD1 3.51Å; F13-L60 HydrophobicContact CZ-CB 3.91Å; F13-L60 HydrophobicContact CZ-CD1 4.5Å; L60-S64 WeakPolarHBondContact O-CB 3.44Å; L60-S64 PolarHBondContact O-N 3.21Å; L60-S64 PolarHBondContact O-OG 2.97Å
61E72.3Confident72.5Confident163 Ų16366.7 Ų66.776%0.76235%0.346SS*.Hα-helixtrans-72.4-46179.7-61.8-175.4159.300112.2T59 S64 S65T59-E61 VanDerWaalsContact C-N 3.26Å; T59-E61 PolarHBondContact O-N 2.82Å; E61-S64 PolarHBondContact O-N 2.89Å; E61-S65 VanDerWaalsContact O-CB 3.28Å; E61-S65 WeakPolarHBondContact O-CB 3.43Å; E61-S65 PolarHBondContact O-N 3.34Å
62A75.1Confident71.4Confident24 Ų2472.1 Ų72.120%0.19837%0.371CS..Hα-helixtrans-62.3-44.5176.900000111T59 R66T59-A62 PolarHBondContact O-N 2.73Å; T59-A62 WeakPolarHBondContact OG1-CB 3.44Å; A62-R66 VanDerWaalsContact O-CB 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 VanDerWaalsContact O-CG 3.31Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 2.92Å
63F77.4Confident70.4Confident1 Ų171.1 Ų71.10%0.00438%0.378CS..Hα-helixtrans-61.4-53.8174.3-175.2-97.7000111.3T9 F12 F13 I24 L50 L58 T59 S65 R66 F67T9-F63 HydrophobicContact CG2-CD1 3.87Å; T9-F63 HydrophobicContact CG2-CE1 3.67Å; F12-F63 HydrophobicContact CD1-CE1 4.1Å; F12-F63 AromaticContact CD1-CZ 3.71Å; F12-F63 HydrophobicContact CD1-CZ 3.71Å; F12-F63 AromaticContact CE1-CZ 4Å; F12-F63 HydrophobicContact CE1-CZ 4Å; F13-F63 HydrophobicContact CB-CD1 4.16Å; F13-F63 HydrophobicContact CB-CE1 4.34Å; F13-F63 HydrophobicContact CD2-CB 3.83Å; F13-F63 AromaticContact CD2-CD1 3.7Å; F13-F63 HydrophobicContact CD2-CD1 3.7Å; F13-F63 HydrophobicContact CD2-CE1 4.49Å; F13-F63 AromaticContact CD2-CG 3.83Å; F13-F63 HydrophobicContact CD2-CG 3.83Å; F13-F63 HydrophobicContact CE2-CB 4.03Å; F13-F63 HydrophobicContact CE2-CG 4.42Å; F13-F63 HydrophobicContact CG-CD1 4.44Å; I24-F63 HydrophobicContact CD1-CD2 4.04Å; I24-F63 HydrophobicContact CD1-CE2 4.23Å; I24-F63 HydrophobicContact CD1-CG 4.25Å; L50-F63 HydrophobicContact CD1-CD2 4.24Å; L50-F63 HydrophobicContact CD1-CE2 3.92Å; L58-F63 HydrophobicContact CD1-CD2 4.3Å; T59-F63 WeakPolarHBondContact O-CB 3.39Å; T59-F63 PolarHBondContact O-N 3.28Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.31Å; F63-R66 PolarHBondContact O-N 2.97Å; F63-F67 HydrophobicContact CD1-CB 4.37Å; F63-F67 HydrophobicContact CD2-CB 4.48Å; F63-F67 HydrophobicContact CE1-CB 4.14Å; F63-F67 HydrophobicContact CE1-CD1 4.16Å; F63-F67 HydrophobicContact CE1-CG 4.06Å; F63-F67 HydrophobicContact CE2-CB 4.23Å; F63-F67 HydrophobicContact CE2-CD2 4.02Å; F63-F67 HydrophobicContact CE2-CG 4.21Å; F63-F67 HydrophobicContact CZ-CB 4.04Å; F63-F67 HydrophobicContact CZ-CD1 4.11Å; F63-F67 AromaticContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CE1 4.46Å; F63-F67 HydrophobicContact CZ-CE2 4.18Å; F63-F67 AromaticContact CZ-CG 3.73Å; F63-F67 HydrophobicContact CZ-CG 3.73Å; F63-F67 HydrophobicContact CZ-CZ 4.49Å; F63-F67 WeakPolarHBondContact O-CA 3.3Å; F63-F67 WeakPolarHBondContact O-CB 3.45Å; F63-F67 PolarHBondContact O-N 2.81Å
64S72.3Confident68.9Low16 Ų1673.1 Ų73.111%0.11238%0.378CS..Hα-helixtrans-60.3-38.8-176.6-59.10000112.9L60 E61 G68L60-S64 WeakPolarHBondContact O-CB 3.44Å; L60-S64 PolarHBondContact O-N 3.21Å; L60-S64 PolarHBondContact O-OG 2.97Å; E61-S64 PolarHBondContact O-N 2.89Å; S64-G68 PolarHBondContact O-N 3.06Å
65S71.9Confident67Low69 Ų6973.9 Ų73.948%0.48338%0.381SS..Hα-helixtrans-70.6-51.7177.4-172.70000112.1E61 F63 G68 Q69E61-S65 VanDerWaalsContact O-CB 3.28Å; E61-S65 WeakPolarHBondContact O-CB 3.43Å; E61-S65 PolarHBondContact O-N 3.34Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.31Å; S65-G68 PolarHBondContact O-N 3.37Å; S65-Q69 WeakPolarHBondContact O-CG 2.83Å; S65-Q69 PolarHBondContact O-N 2.99Å
66R74.8Confident65.1Low61 Ų6177.8 Ų77.823%0.2339%0.394CS..Hα-helixtrans-76.1-36.5-174.6-64.9179-178.3154.81113.1L50 T52 D53 A62 F63 G68 Q69 F70L50-R66 HydrophobicContact CD2-CB 3.85Å; L50-R66 WeakPolarHBondContact O-CD 3.43Å; L50-R66 PolarHBondContact O-NH1 3.27Å; T52-R66 PolarHBondContact OG1-NH1 3.35Å; T52-R66 PolarHBondContact OG1-NH2 2.7Å; D53-R66 IonicContact OD1-CZ 2.98Å; D53-R66 IonicContact OD1-NH1 3.4Å; D53-R66 IonicContact OD1-NH2 3.65Å; D53-R66 PolarHBondContact OD1-NH2 3.19Å; D53-R66 IonicContact OD2-CZ 3.06Å; D53-R66 IonicContact OD2-NH1 3.87Å; D53-R66 PolarHBondContact OD2-NH1 2.74Å; D53-R66 IonicContact OD2-NH2 2.76Å; D53-R66 PolarHBondContact OD2-NH2 3.43Å; A62-R66 VanDerWaalsContact O-CB 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 VanDerWaalsContact O-CG 3.31Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 2.92Å; F63-R66 PolarHBondContact O-N 2.97Å; R66-G68 VanDerWaalsContact C-N 3.32Å; R66-Q69 PolarHBondContact O-N 2.84Å; R66-F70 VanDerWaalsContact O-CB 3.3Å; R66-F70 WeakPolarHBondContact O-CB 3.26Å; R66-F70 PolarHBondContact O-N 3.45Å
67F70.1Confident63.1Low30 Ų3081.5 Ų81.513%0.13242%0.415CS..Hα-helixtrans-66.8-37.7172.2-167.2-107.3000110.8T9 F12 L50 F63 F70 L71T9-F67 HydrophobicContact CG2-CB 4.31Å; T9-F67 HydrophobicContact CG2-CD1 3.71Å; T9-F67 HydrophobicContact CG2-CG 4.42Å; F12-F67 HydrophobicContact CE1-CZ 4.49Å; L50-F67 HydrophobicContact CD1-CD2 4.04Å; L50-F67 HydrophobicContact CD2-CB 4.22Å; L50-F67 HydrophobicContact CD2-CD2 4.44Å; F63-F67 HydrophobicContact CD1-CB 4.37Å; F63-F67 HydrophobicContact CD2-CB 4.48Å; F63-F67 HydrophobicContact CE1-CB 4.14Å; F63-F67 HydrophobicContact CE1-CD1 4.16Å; F63-F67 HydrophobicContact CE1-CG 4.06Å; F63-F67 HydrophobicContact CE2-CB 4.23Å; F63-F67 HydrophobicContact CE2-CD2 4.02Å; F63-F67 HydrophobicContact CE2-CG 4.21Å; F63-F67 HydrophobicContact CZ-CB 4.04Å; F63-F67 HydrophobicContact CZ-CD1 4.11Å; F63-F67 AromaticContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CE1 4.46Å; F63-F67 HydrophobicContact CZ-CE2 4.18Å; F63-F67 AromaticContact CZ-CG 3.73Å; F63-F67 HydrophobicContact CZ-CG 3.73Å; F63-F67 HydrophobicContact CZ-CZ 4.49Å; F63-F67 WeakPolarHBondContact O-CA 3.3Å; F63-F67 WeakPolarHBondContact O-CB 3.45Å; F63-F67 PolarHBondContact O-N 2.81Å; F67-F70 PolarHBondContact O-N 3.13Å; F67-L71 HydrophobicContact CD1-CD1 3.85Å; F67-L71 HydrophobicContact CD1-CG 4.35Å; F67-L71 HydrophobicContact CE1-CD1 3.61Å; F67-L71 HydrophobicContact CE1-CG 4.22Å; F67-L71 HydrophobicContact CZ-CD1 4.26Å; F67-L71 HydrophobicContact CZ-CG 4.49Å; F67-L71 WeakPolarHBondContact O-CG 3.37Å; F67-L71 PolarHBondContact O-N 3.34Å
68G65.3Low60.6Low15 Ų1581.5 Ų81.516%0.15543%0.428CS..Hα-helixtrans-54.7-52.4167.300000112S64 S65 R66 L71 H72S64-G68 PolarHBondContact O-N 3.06Å; S65-G68 PolarHBondContact O-N 3.37Å; R66-G68 VanDerWaalsContact C-N 3.32Å; G68-L71 PolarHBondContact O-N 3.48Å; G68-H72 PolarHBondContact O-N 3.44Å; G68-H72 PolarHBondContact O-ND1 3.03Å
69Q66.5Low58.2Low136 Ų13687.7 Ų87.764%0.63647%0.466SS*.Hα-helixtrans-64-39.6177.2-70.6179.63.500113S65 R66 H72 G73S65-Q69 WeakPolarHBondContact O-CG 2.83Å; S65-Q69 PolarHBondContact O-N 2.99Å; R66-Q69 PolarHBondContact O-N 2.84Å; Q69-H72 PolarHBondContact O-N 2.88Å; Q69-G73 PolarHBondContact O-N 3.16Å
70F65.6Low55.6Low41 Ų4192.9 Ų92.918%0.1849%0.492CS..Hα-helixtrans-60.3-45.9177.2-178.4-89.9000111.7V46 S49 L50 R66 F67 H72 G73 R74V46-F70 HydrophobicContact CG2-CZ 4.12Å; S49-F70 VanDerWaalsContact OG-CE2 3.31Å; S49-F70 WeakPolarHBondContact OG-CE2 3.05Å; L50-F70 HydrophobicContact CD2-CB 4.14Å; R66-F70 VanDerWaalsContact O-CB 3.3Å; R66-F70 WeakPolarHBondContact O-CB 3.26Å; R66-F70 PolarHBondContact O-N 3.45Å; F67-F70 PolarHBondContact O-N 3.13Å; F70-H72 VanDerWaalsContact C-N 3.34Å; F70-H72 PolarHBondContact O-N 3.04Å; F70-G73 PolarHBondContact O-N 3.47Å; F70-R74 WeakPolarHBondContact O-CB 3.35Å; F70-R74 PolarHBondContact O-N 3.39Å
71L61.6Low53.4Low83 Ų8395.1 Ų95.144%0.43550%0.504SS..Hα-helixtrans-67.3-30.7176.5-70.6177.8000113.4L5 F67 G68L5-L71 HydrophobicContact CD1-CD1 4.21Å; F67-L71 HydrophobicContact CD1-CD1 3.85Å; F67-L71 HydrophobicContact CD1-CG 4.35Å; F67-L71 HydrophobicContact CE1-CD1 3.61Å; F67-L71 HydrophobicContact CE1-CG 4.22Å; F67-L71 HydrophobicContact CZ-CD1 4.26Å; F67-L71 HydrophobicContact CZ-CG 4.49Å; F67-L71 WeakPolarHBondContact O-CG 3.37Å; F67-L71 PolarHBondContact O-N 3.34Å; G68-L71 PolarHBondContact O-N 3.48Å
72H55.9Low51.6Low118 Ų11894.8 Ų94.855%0.54650%0.503SS..Hα-helixtrans-79.9-27.4174.1-71.378.9000112.8H2 G68 Q69 F70H2-H72 AromaticContact CE1-CE1 3.87Å; H2-H72 AromaticContact CE1-NE2 3.63Å; G68-H72 PolarHBondContact O-N 3.44Å; G68-H72 PolarHBondContact O-ND1 3.03Å; Q69-H72 PolarHBondContact O-N 2.88Å; F70-H72 VanDerWaalsContact C-N 3.34Å; F70-H72 PolarHBondContact O-N 3.04Å
73G47Very low49.3Very low68 Ų68100.8 Ų100.870%0.70154%0.537SS*.Hα-helixtrans-89.6-33.9-178.400000114.8Q69 F70Q69-G73 PolarHBondContact O-N 3.16Å; F70-G73 PolarHBondContact O-N 3.47Å
74R40.9Very low47Very low144 Ų144109.9 Ų109.954%0.54358%0.58SS.*  trans-105.876-173.7-163.9175.9-179172.7-3.2111.6F70 I76F70-R74 WeakPolarHBondContact O-CB 3.35Å; F70-R74 PolarHBondContact O-N 3.39Å; R74-I76 VanDerWaalsContact C-N 3.34Å; R74-I76 HydrophobicContact CG-CG1 4.07Å; R74-I76 PolarHBondContact O-N 2.87Å
75R30.9Very low45Very low241 Ų241113.8 Ų113.891%0.90961%0.612SS**  trans-63.992.9164.1-178.2-169.9-105.5-169.2-4.6108.5S77R75-S77 PolarHBondContact O-N 2.94Å
76I30.6Very low43.3Very low127 Ų127116.5 Ų116.565%0.65163%0.628SS**  trans-64.5124.3-179.1-64.2178.8000109.5R74R74-I76 VanDerWaalsContact C-N 3.34Å; R74-I76 HydrophobicContact CG-CG1 4.07Å; R74-I76 PolarHBondContact O-N 2.87Å
77S29.9Very low41.2Very low110 Ų110116.5 Ų116.577%0.76965%0.648SS**  trans-88.7117.9178.653.40000111.3R75R75-S77 PolarHBondContact O-N 2.94Å
78V26.7Very low39.8Very low127 Ų127121.3 Ų121.377%0.7768%0.682SS**  trans-129.1106154.8-179.60000107.1
79T30.2Very low38.2Very low134 Ų134125.7 Ų125.782%0.82271%0.706SS**  trans18.2101.6165.157.10000118.3
80D27Very low36.9Very low169 Ų169125.8 Ų125.890%0.90471%0.71SS**  -141.4163.5115.4-148.1-14.6000109.3
81D28.8Very low35.4Very low120 Ų120133.7 Ų133.764%0.64274%0.744SS**  trans-95.5162.1-159.8-160.316.8000114.9
82Q35.2Very low34.2Very low157 Ų157133.2 Ų133.273%0.73475%0.752SS**  trans4884.5161.7-72.516869.500118.9
83T27.4Very low33.2Very low150 Ų150134.3 Ų134.392%0.9276%0.755SS**  -167.3146.5116.813.70000113.3
84Q28.9Very low32.5Very low192 Ų192137.8 Ų137.890%0.89775%0.753SS**  trans-86.4129.4171.7-70.5-177-7.200111.2
85A29.4Very low32.2Very low97 Ų97135 Ų13580%0.80276%0.761SS**  trans-147.2101.2163.600000110.6
86P36.2Very low32.4Very low126 Ų126129 Ų12982%0.81875%0.747SS**  trans-77.9163.9167.733.2-33.7000111.5
87G31.7Very low32.6Very low62 Ų62130.6 Ų130.664%0.63975%0.745SS**  trans-77.1-158.5-170.700000117.3V89G87-V89 PolarHBondContact O-N 3.44Å
88P40Very low32.6Very low130 Ų130133.3 Ų133.384%0.84475%0.746SS**  trans-80.4107.8-148.329.8-37000115.3
89V32.7Very low33.1Very low108 Ų108131.5 Ų131.566%0.65574%0.739SS**  trans-127.355.3160-166.60000109.6G87G87-V89 PolarHBondContact O-N 3.44Å
90L37.9Very low33.1Very low138 Ų138131.9 Ų131.972%0.72373%0.731SS**  trans-118.930.9-171.1-80.6169.2000114.3
91K34Very low33.5Very low206 Ų206133.2 Ų133.290%0.89672%0.724SS**SBendtrans-129.715.4162.9-77.1-161.9170.2-171.50114.3
92A36.4Very low33.6Very low73 Ų73136.2 Ų136.260%0.60373%0.734SS**SBendtrans-128.710.717500000113.1
93K35Very low33.8Very low142 Ų142132.5 Ų132.562%0.61773%0.73SS**SBendtrans-120.2-19.4-179.3-89.7-172.2170.3-1750115.4L96K93-L96 PolarHBondContact O-N 2.87Å
94E32.2Very low34.3Very low141 Ų141136.1 Ų136.166%0.65973%0.727SS**G310 helixtrans-63.8-41.6174.3-83.8170.6138.900112.1L96 Y97E94-L96 PolarHBondContact O-N 3.06Å; E94-Y97 PolarHBondContact O-N 2.94Å
95A35.2Very low34.4Very low86 Ų86134.8 Ų134.871%0.71173%0.725SS**G310 helixtrans-65.4-0.417600000114.9
96L35.9Very low34.9Very low115 Ų115132.8 Ų132.860%0.60271%0.705SS**G310 helixtrans-116.52.5176.6-113.9162.8000112.9K93 E94K93-L96 PolarHBondContact O-N 2.87Å; E94-L96 PolarHBondContact O-N 3.06Å
97Y33.2Very low35.3Very low159 Ų159129.7 Ų129.762%0.62470%0.696SS**THydrogen-bonded Turntrans-118.1-2.5176.7-112.3-107000114.1E94 W101E94-Y97 PolarHBondContact O-N 2.94Å; Y97-W101 AromaticContact CD1-NE1 3.74Å
98Q31.2Very low36Very low168 Ų168131.5 Ų131.579%0.78570%0.695SS**SBendtrans-87.9-14.4167.7-85.9178.6-35.100113.8
99S36.1Very low36.7Very low89 Ų89130.7 Ų130.762%0.62268%0.68SS**SBendtrans-109.517.7-170.745.80000114.4
100Q31.4Very low37.8Very low142 Ų142128.8 Ų128.866%0.66467%0.666SS**SBendtrans-133.13.4-179.7-149.7170.925.500115.2
101W34.5Very low39Very low197 Ų197128.2 Ų128.275%0.74666%0.659SS**SBendtrans-92.2-22.4179.5-76.488.5000114.7Y97 A103Y97-W101 AromaticContact CD1-NE1 3.74Å; W101-A103 PolarHBondContact O-N 3.02Å
102E31.8Very low40.5Very low183 Ų183120.5 Ų120.586%0.85563%0.627SS**THydrogen-bonded Turntrans-74.6-2179.9-59.7-174.9128.800114.4
103A38.3Very low42.1Very low79 Ų79120.1 Ų120.165%0.65361%0.612SS**THydrogen-bonded Turntrans-102.8-10.5-162.100000115.9W101W101-A103 PolarHBondContact O-N 3.02Å
104R37.3Very low43.9Very low225 Ų225119.4 Ų119.485%0.84961%0.606SS**SBendtrans-154.292.5-173.7-67.5-172.6178.1162.60.4114.3
105L32.3Very low45.9Very low164 Ų164116.6 Ų116.686%0.85959%0.592SS**SBendtrans-176.2-172.2130.8-100.2162.6000111.3G107L105-G107 PolarHBondContact O-N 3.33Å
106S39.1Very low48Very low56 Ų56112.7 Ų112.739%0.39256%0.559SS.*  trans-57.1114.4-170.26.30000114.7V108 E109S106-V108 PolarHBondContact O-N 3.39Å; S106-E109 PolarHBondContact O-N 2.77Å; S106-E109 PolarHBondContact OG-OE2 2.92Å
107G44.7Very low49.9Very low61 Ų61109.7 Ų109.763%0.62955%0.548SS*.THydrogen-bonded Turntrans-71.153.6175.800000115.4L105L105-G107 PolarHBondContact O-N 3.33Å
108V47.4Very low52Low99 Ų99107.1 Ų107.160%0.654%0.542SS*.THydrogen-bonded Turntrans-139.8-49.5168.9-175.60000109.3S106 D110 E111S106-V108 PolarHBondContact O-N 3.39Å; V108-D110 PolarHBondContact O-N 2.73Å; V108-E111 PolarHBondContact O-N 3.4Å
109E53Low54.2Low113 Ų113100.1 Ų100.153%0.52851%0.51SS..Hα-helixtrans-63.4-29.1171-62.1164.6134.800111.3S106 E111 E112 E113S106-E109 PolarHBondContact O-N 2.77Å; S106-E109 PolarHBondContact OG-OE2 2.92Å; E109-E111 VanDerWaalsContact C-N 3.29Å; E109-E111 PolarHBondContact O-N 2.92Å; E109-E112 PolarHBondContact O-N 2.77Å; E109-E113 PolarHBondContact O-N 2.73Å
110D57.3Low56.3Low69 Ų6996.5 Ų96.537%0.36948%0.484SS..Hα-helixtrans-70.2-16.9179.5-15741.4000113.4V108 R114V108-D110 PolarHBondContact O-N 2.73Å; D110-R114 VanDerWaalsContact CG-NH2 3.32Å; D110-R114 WeakPolarHBondContact O-CD 3.37Å; D110-R114 VanDerWaalsContact O-CG 3.27Å; D110-R114 WeakPolarHBondContact O-CG 3.45Å; D110-R114 PolarHBondContact O-NH1 3.11Å; D110-R114 IonicContact OD1-CZ 2.73Å; D110-R114 IonicContact OD1-NH1 2.65Å; D110-R114 IonicContact OD1-NH2 3.71Å; D110-R114 PolarHBondContact OD1-NH2 3.31Å; D110-R114 IonicContact OD2-CZ 3.09Å; D110-R114 IonicContact OD2-NH1 3.35Å; D110-R114 PolarHBondContact OD2-NH1 2.73Å; D110-R114 IonicContact OD2-NH2 3.67Å; D110-R114 PolarHBondContact OD2-NH2 3.39Å
111E63.1Low58.6Low125 Ų12596.2 Ų96.258%0.58448%0.483SS*.Hα-helixtrans-90.9-40.5169.4-68-168157.200111.8V108 E109 E113 R114 H115V108-E111 PolarHBondContact O-N 3.4Å; E109-E111 VanDerWaalsContact C-N 3.29Å; E109-E111 PolarHBondContact O-N 2.92Å; E111-E113 VanDerWaalsContact C-N 3.32Å; E111-E113 PolarHBondContact O-N 2.72Å; E111-R114 PolarHBondContact O-N 2.86Å; E111-H115 PolarHBondContact O-CD2 3.44Å; E111-H115 PolarHBondContact O-N 2.99Å
112E66Low60.6Low45 Ų4591.2 Ų91.221%0.2148%0.478CS..Hα-helixtrans-60.2-41.5176.2-69.6-177.7162.700111.3E109 H115 F116 R144E109-E112 PolarHBondContact O-N 2.77Å; E112-H115 PolarHBondContact O-N 3.34Å; E112-F116 PolarHBondContact O-N 2.87Å; E112-R144 VanDerWaalsContact CD-NH2 3.27Å; E112-R144 IonicContact OE1-CZ 3.98Å; E112-R144 IonicContact OE1-NE 2.74Å; E112-R144 PolarHBondContact OE1-NE 3.43Å; E112-R144 IonicContact OE1-NH2 3.05Å; E112-R144 PolarHBondContact OE1-NH2 2.69Å; E112-R144 IonicContact OE2-CZ 3.57Å; E112-R144 IonicContact OE2-NH2 3.4Å; E112-R144 PolarHBondContact OE2-NH2 2.89Å
113E69.7Low62.6Low65 Ų6584.3 Ų84.330%0.30445%0.446SS..Hα-helixtrans-64.4-46.9174.2-176.575.1129.900112.5E109 E111 H115 F116 C117 R136E109-E113 PolarHBondContact O-N 2.73Å; E111-E113 VanDerWaalsContact C-N 3.32Å; E111-E113 PolarHBondContact O-N 2.72Å; E113-H115 VanDerWaalsContact C-N 3.27Å; E113-H115 PolarHBondContact O-N 2.85Å; E113-F116 PolarHBondContact O-N 3.29Å; E113-F116 VanDerWaalsContact O-N 3.13Å; E113-C117 WeakPolarHBondContact O-CB 3.36Å; E113-C117 PolarHBondContact O-N 3.24Å; E113-C117 PolarHBondContact O-SG 3.42Å; E113-R136 VanDerWaalsContact CD-CZ 3.45Å; E113-R136 IonicContact OE1-CZ 3.09Å; E113-R136 IonicContact OE1-NH1 3.03Å; E113-R136 PolarHBondContact OE1-NH1 2.84Å; E113-R136 WeakPolarHBondContact OE2-CD 3.46Å; E113-R136 IonicContact OE2-CZ 3.12Å; E113-R136 IonicContact OE2-NE 2.72Å; E113-R136 PolarHBondContact OE2-NE 2.85Å; E113-R136 VanDerWaalsContact OE2-NE 3.09Å; E113-R136 IonicContact OE2-NH1 3.9Å; E113-R136 PolarHBondContact OE2-NH1 3.46Å; E113-R136 IonicContact OE2-NH2 3.59Å
114R72.9Confident64.2Low126 Ų12682 Ų8248%0.47543%0.43SS..Hα-helixtrans-59.4-39.7178.3-75.1179.1-172.2105.55.3111.7D110 E111 M118D110-R114 VanDerWaalsContact CG-NH2 3.32Å; D110-R114 WeakPolarHBondContact O-CD 3.37Å; D110-R114 VanDerWaalsContact O-CG 3.27Å; D110-R114 WeakPolarHBondContact O-CG 3.45Å; D110-R114 PolarHBondContact O-NH1 3.11Å; D110-R114 IonicContact OD1-CZ 2.73Å; D110-R114 IonicContact OD1-NH1 2.65Å; D110-R114 IonicContact OD1-NH2 3.71Å; D110-R114 PolarHBondContact OD1-NH2 3.31Å; D110-R114 IonicContact OD2-CZ 3.09Å; D110-R114 IonicContact OD2-NH1 3.35Å; D110-R114 PolarHBondContact OD2-NH1 2.73Å; D110-R114 IonicContact OD2-NH2 3.67Å; D110-R114 PolarHBondContact OD2-NH2 3.39Å; E111-R114 PolarHBondContact O-N 2.86Å; R114-M118 WeakPolarHBondContact O-CB 3.4Å; R114-M118 WeakPolarHBondContact O-CE 3.46Å; R114-M118 VanDerWaalsContact O-CG 3.31Å; R114-M118 WeakPolarHBondContact O-CG 3.41Å; R114-M118 PolarHBondContact O-N 2.73Å
115H74.2Confident65.9Low82 Ų8271.3 Ų71.338%0.3839%0.39SS..Hα-helixtrans-67.4-40.8174.9-77.2-69.2000113.1E111 E112 E113 M118 L119 W139E111-H115 PolarHBondContact O-CD2 3.44Å; E111-H115 PolarHBondContact O-N 2.99Å; E112-H115 PolarHBondContact O-N 3.34Å; E113-H115 VanDerWaalsContact C-N 3.27Å; E113-H115 PolarHBondContact O-N 2.85Å; H115-M118 PolarHBondContact O-N 3.14Å; H115-L119 WeakPolarHBondContact O-CB 3.5Å; H115-L119 PolarHBondContact O-N 3.39Å; H115-W139 HydrophobicContact CB-CH2 3.72Å; H115-W139 HydrophobicContact CB-CZ3 4.44Å
116F78.3Confident67.6Low4 Ų466.4 Ų66.42%0.01837%0.37CS..Hα-helixtrans-66.4-41176.8-177.5-112.2000112.1E112 E113 L119 L120 V135 R136 W139E112-F116 PolarHBondContact O-N 2.87Å; E113-F116 PolarHBondContact O-N 3.29Å; E113-F116 VanDerWaalsContact O-N 3.13Å; F116-L119 WeakPolarHBondContact O-CB 3.43Å; F116-L119 PolarHBondContact O-N 3Å; F116-L120 HydrophobicContact CD1-CD1 3.94Å; F116-L120 HydrophobicContact CD1-CG 4.44Å; F116-L120 HydrophobicContact CE1-CD1 3.36Å; F116-L120 HydrophobicContact CE1-CG 4Å; F116-L120 HydrophobicContact CE2-CD1 4.49Å; F116-L120 HydrophobicContact CE2-CD2 4.48Å; F116-L120 HydrophobicContact CE2-CG 4.27Å; F116-L120 HydrophobicContact CZ-CD1 3.68Å; F116-L120 HydrophobicContact CZ-CD2 4.11Å; F116-L120 HydrophobicContact CZ-CG 3.9Å; F116-L120 PolarHBondContact O-N 3.12Å; F116-V135 HydrophobicContact CE2-CG1 4.19Å; F116-V135 HydrophobicContact CZ-CB 4.14Å; F116-V135 HydrophobicContact CZ-CG1 3.96Å; F116-R136 HydrophobicContact CD1-CB 3.72Å; F116-R136 HydrophobicContact CD1-CG 3.74Å; F116-R136 HydrophobicContact CE1-CB 3.45Å; F116-R136 VanDerWaalsContact CE1-CB 3.45Å; F116-R136 HydrophobicContact CE1-CG 4.03Å; F116-R136 HydrophobicContact CE2-CB 4.44Å; F116-R136 HydrophobicContact CG-CB 4.33Å; F116-R136 HydrophobicContact CG-CG 4.14Å; F116-R136 VanDerWaalsContact CZ-CA 3.45Å; F116-R136 HydrophobicContact CZ-CB 3.85Å; F116-W139 HydrophobicContact CB-CE3 3.9Å; F116-W139 HydrophobicContact CB-CH2 4.49Å; F116-W139 HydrophobicContact CB-CZ3 3.84Å; F116-W139 HydrophobicContact CD2-CB 3.98Å; F116-W139 AromaticContact CD2-CD2 3.79Å; F116-W139 HydrophobicContact CD2-CD2 3.79Å; F116-W139 AromaticContact CD2-CE3 3.79Å; F116-W139 HydrophobicContact CD2-CE3 3.79Å; F116-W139 AromaticContact CD2-CG 3.88Å; F116-W139 HydrophobicContact CD2-CG 3.88Å; F116-W139 HydrophobicContact CE2-CB 3.94Å; F116-W139 HydrophobicContact CE2-CG 4.21Å; F116-W139 HydrophobicContact CG-CE3 4.23Å
117C76.5Confident69.1Low53 Ų5371.2 Ų71.236%0.35839%0.391SS..Hα-helixtrans-63.1-46.6173.4-71.40000112.1E113 L119 L120 E121E113-C117 WeakPolarHBondContact O-CB 3.36Å; E113-C117 PolarHBondContact O-N 3.24Å; E113-C117 PolarHBondContact O-SG 3.42Å; C117-L119 VanDerWaalsContact C-N 3.28Å; C117-L119 PolarHBondContact O-N 3.46Å; C117-L120 PolarHBondContact O-N 3.34Å; C117-E121 WeakPolarHBondContact O-CB 3.42Å; C117-E121 WeakPolarHBondContact O-CG 3.4Å; C117-E121 PolarHBondContact O-N 2.97Å
118M76.1Confident70.6Confident104 Ų10469.7 Ų69.751%0.51237%0.369SS..Hα-helixtrans-60.4-36.3174.7-75.6-173.7-66.200112.5R114 H115 S122R114-M118 WeakPolarHBondContact O-CB 3.4Å; R114-M118 WeakPolarHBondContact O-CE 3.46Å; R114-M118 VanDerWaalsContact O-CG 3.31Å; R114-M118 WeakPolarHBondContact O-CG 3.41Å; R114-M118 PolarHBondContact O-N 2.73Å; H115-M118 PolarHBondContact O-N 3.14Å; M118-S122 WeakPolarHBondContact O-CB 3.39Å; M118-S122 PolarHBondContact O-N 3.02Å; M118-S122 PolarHBondContact O-OG 2.92Å
119L79Confident72Confident21 Ų2167.1 Ų67.111%0.1135%0.35CS..Hα-helixtrans-63.7-53.3172.2172.667.8000111H115 F116 C117 E121 S122 L123 W139 E154H115-L119 WeakPolarHBondContact O-CB 3.5Å; H115-L119 PolarHBondContact O-N 3.39Å; F116-L119 WeakPolarHBondContact O-CB 3.43Å; F116-L119 PolarHBondContact O-N 3Å; C117-L119 VanDerWaalsContact C-N 3.28Å; C117-L119 PolarHBondContact O-N 3.46Å; L119-E121 PolarHBondContact O-N 3.39Å; L119-S122 PolarHBondContact O-N 3.34Å; L119-S122 PolarHBondContact O-OG 3.18Å; L119-L123 HydrophobicContact CD1-CD1 3.96Å; L119-L123 HydrophobicContact CD1-CG 4.11Å; L119-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.36Å; L119-L123 PolarHBondContact O-N 2.91Å; L119-W139 HydrophobicContact CD2-CD2 4.42Å; L119-W139 HydrophobicContact CD2-CG 4.34Å; L119-W139 HydrophobicContact CD2-CZ2 4.32Å; L119-E154 HydrophobicContact CD1-CB 4.46Å; L119-E154 HydrophobicContact CD1-CG 3.96Å; L119-E154 HydrophobicContact CD2-CG 3.85Å
120L78.8Confident73Confident13 Ų1371.8 Ų71.87%0.06837%0.372CS..Hα-helixtrans-57.6-36.7177.4-74.8179.1000112.1F116 C117 G124 A125F116-L120 HydrophobicContact CD1-CD1 3.94Å; F116-L120 HydrophobicContact CD1-CG 4.44Å; F116-L120 HydrophobicContact CE1-CD1 3.36Å; F116-L120 HydrophobicContact CE1-CG 4Å; F116-L120 HydrophobicContact CE2-CD1 4.49Å; F116-L120 HydrophobicContact CE2-CD2 4.48Å; F116-L120 HydrophobicContact CE2-CG 4.27Å; F116-L120 HydrophobicContact CZ-CD1 3.68Å; F116-L120 HydrophobicContact CZ-CD2 4.11Å; F116-L120 HydrophobicContact CZ-CG 3.9Å; F116-L120 PolarHBondContact O-N 3.12Å; C117-L120 PolarHBondContact O-N 3.34Å; L120-G124 CarbonylContact O-C 3.55Å; L120-G124 WeakPolarHBondContact O-CA 3.46Å; L120-G124 PolarHBondContact O-N 2.86Å; L120-A125 HydrophobicContact CD2-CB 3.72Å; L120-A125 PolarHBondContact O-N 3Å
121E80.3Confident73.9Confident136 Ų13673.1 Ų73.164%0.63638%0.379SS*.Hα-helixtrans-67.6-42.6173.6-73.9-179.2164.600112.1C117 L119 L123 G124C117-E121 WeakPolarHBondContact O-CB 3.42Å; C117-E121 WeakPolarHBondContact O-CG 3.4Å; C117-E121 PolarHBondContact O-N 2.97Å; L119-E121 PolarHBondContact O-N 3.39Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 2.83Å; E121-G124 WeakPolarHBondContact O-CA 3.43Å; E121-G124 PolarHBondContact O-N 3.19Å
122S76.9Confident74.4Confident92 Ų9269.8 Ų69.864%0.64337%0.368SS*.Hα-helixtrans-64.9-32.717776.90000113.4M118 L119 G124M118-S122 WeakPolarHBondContact O-CB 3.39Å; M118-S122 PolarHBondContact O-N 3.02Å; M118-S122 PolarHBondContact O-OG 2.92Å; L119-S122 PolarHBondContact O-N 3.34Å; L119-S122 PolarHBondContact O-OG 3.18Å; S122-G124 VanDerWaalsContact C-N 3.3Å
123L73.6Confident74.8Confident38 Ų3869 Ų6920%0.19937%0.372CS..THydrogen-bonded Turntrans-82.4-10.7170.6-59.8-177.3000112.2L119 E121 A125 L157 A158 K165L119-L123 HydrophobicContact CD1-CD1 3.96Å; L119-L123 HydrophobicContact CD1-CG 4.11Å; L119-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.36Å; L119-L123 PolarHBondContact O-N 2.91Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 2.83Å; L123-A125 HydrophobicContact CB-CB 4.15Å; L123-A125 PolarHBondContact O-N 2.95Å; L123-L157 HydrophobicContact CD1-CB 3.93Å; L123-A158 HydrophobicContact CD2-CB 3.75Å; L123-K165 PolarHBondContact O-NZ 3.45Å
124G71.7Confident75.1Confident30 Ų3073 Ų7331%0.30939%0.391SS..THydrogen-bonded Turntrans57.429.1-171.100000113.6L120 E121 S122 K165L120-G124 CarbonylContact O-C 3.55Å; L120-G124 WeakPolarHBondContact O-CA 3.46Å; L120-G124 PolarHBondContact O-N 2.86Å; E121-G124 WeakPolarHBondContact O-CA 3.43Å; E121-G124 PolarHBondContact O-N 3.19Å; S122-G124 VanDerWaalsContact C-N 3.3Å; G124-K165 VanDerWaalsContact C-NZ 3.28Å; G124-K165 WeakPolarHBondContact O-CE 3.18Å; G124-K165 PolarHBondContact O-NZ 2.85Å
125A72.9Confident75.4Confident2 Ų268.1 Ų68.12%0.01738%0.375CS..  trans-89.1-4.3-173.800000113.9L120 L123 N127 V128 F129 T161L120-A125 HydrophobicContact CD2-CB 3.72Å; L120-A125 PolarHBondContact O-N 3Å; L123-A125 HydrophobicContact CB-CB 4.15Å; L123-A125 PolarHBondContact O-N 2.95Å; A125-N127 PolarHBondContact O-N 2.72Å; A125-V128 WeakPolarHBondContact O-CB 3.38Å; A125-V128 PolarHBondContact O-N 2.72Å; A125-F129 HydrophobicContact CB-CD2 4.5Å; A125-F129 HydrophobicContact CB-CE2 3.99Å; A125-T161 HydrophobicContact CB-CG2 3.68Å; A125-T161 WeakPolarHBondContact CB-OG1 3.03Å
126S68.6Low75.7Confident61 Ų6167.7 Ų67.743%0.42737%0.37SS..THydrogen-bonded Turntrans-54.7-22.9-170.949.80000116.4
127N70.1Confident75.7Confident157 Ų15772.7 Ų72.784%0.8440%0.397SS*.THydrogen-bonded Turntrans-122.523.5177-61-47.3000112.8A125A125-N127 PolarHBondContact O-N 2.72Å
128V76.2Confident75.9Confident28 Ų2874.2 Ų74.217%0.1740%0.401CS..THydrogen-bonded Turntrans-109.2-19.1-170-177.10000113.3A125 T161 I164 K165A125-V128 WeakPolarHBondContact O-CB 3.38Å; A125-V128 PolarHBondContact O-N 2.72Å; V128-T161 HydrophobicContact CB-CG2 4.45Å; V128-T161 HydrophobicContact CG1-CG2 4.29Å; V128-T161 HydrophobicContact CG2-CG2 4.17Å; V128-I164 HydrophobicContact CG1-CB 3.78Å; V128-I164 HydrophobicContact CG1-CD1 4.14Å; V128-I164 HydrophobicContact CG1-CG2 3.57Å; V128-K165 HydrophobicContact CG2-CG 4.36Å
129F76.8Confident76.1Confident46 Ų4669.7 Ų69.720%0.20238%0.379CS..  trans-111.3136.7176.5-58.5-67.2000110.4A125 L157 V160 I164A125-F129 HydrophobicContact CB-CD2 4.5Å; A125-F129 HydrophobicContact CB-CE2 3.99Å; F129-L157 HydrophobicContact CE2-CD2 4.28Å; F129-L157 HydrophobicContact CZ-CD2 3.97Å; F129-V160 HydrophobicContact CE1-CG1 3.99Å; F129-V160 HydrophobicContact CZ-CG1 4.29Å; F129-I164 HydrophobicContact CE1-CD1 4.22Å
130E74.6Confident76.1Confident210 Ų21069.7 Ų69.798%0.98138%0.381SS*.SBendtrans-73.7-28.6-179.3-63.2-172.9151.500112.7
131D76.6Confident76.1Confident97 Ų9774.7 Ų74.752%0.51940%0.404SS..  trans-127.8101.5167.7-168-20.7000110.7G133D131-G133 PolarHBondContact O-N 3.34Å; D131-G133 WeakPolarHBondContact OD1-CA 3.29Å; D131-G133 PolarHBondContact OD1-N 3.45Å
132P73.8Confident76.1Confident55 Ų5569.7 Ų69.736%0.35738%0.382SS..Hα-helixtrans-69.5-16.5173.8-21.334.3000114.4V135 R136P132-V135 PolarHBondContact O-N 2.97Å; P132-R136 WeakPolarHBondContact O-CB 3.32Å; P132-R136 PolarHBondContact O-N 3.42Å
133G72.7Confident76.1Confident28 Ų2869.8 Ų69.829%0.28937%0.368SS..Hα-helixtrans-69.9-40.1-171.600000113.8D131 R136 N137D131-G133 PolarHBondContact O-N 3.34Å; D131-G133 WeakPolarHBondContact OD1-CA 3.29Å; D131-G133 PolarHBondContact OD1-N 3.45Å; G133-R136 WeakPolarHBondContact O-CB 3.48Å; G133-R136 PolarHBondContact O-N 3.32Å; G133-N137 VanDerWaalsContact O-CG 3.23Å; G133-N137 PolarHBondContact O-N 3.39Å; G133-N137 PolarHBondContact O-ND2 2.98Å; G133-N137 VanDerWaalsContact O-ND2 3.14Å
134E77Confident76.3Confident149 Ų14975.8 Ų75.870%0.69639%0.388SS*.Hα-helixtrans-65.3-41.5174.8-61.9-161.8148.600111.5N137 L138E134-N137 PolarHBondContact O-N 2.76Å; E134-L138 WeakPolarHBondContact O-CB 3.36Å; E134-L138 PolarHBondContact O-N 3Å
135V79.4Confident76.7Confident25 Ų2579.4 Ų79.415%0.15240%0.4CS..Hα-helixtrans-65.1-40.5177.1-173.50000111.1F116 P132 W139 F153 L157F116-V135 HydrophobicContact CE2-CG1 4.19Å; F116-V135 HydrophobicContact CZ-CB 4.14Å; F116-V135 HydrophobicContact CZ-CG1 3.96Å; P132-V135 PolarHBondContact O-N 2.97Å; V135-W139 WeakPolarHBondContact O-CB 3.47Å; V135-W139 PolarHBondContact O-N 3.31Å; V135-F153 HydrophobicContact CG1-CZ 4.28Å; V135-L157 HydrophobicContact CG1-CD1 3.81Å; V135-L157 HydrophobicContact CG1-CD2 3.81Å; V135-L157 HydrophobicContact CG1-CG 4.48Å
136R80.3Confident76.9Confident73 Ų7383.9 Ų83.928%0.27542%0.421SS..Hα-helixtrans-58.3-51.1173.5-179-173.1164.9173.6-4.5111.5E113 F116 P132 G133 L138 W139 A140E113-R136 VanDerWaalsContact CD-CZ 3.45Å; E113-R136 IonicContact OE1-CZ 3.09Å; E113-R136 IonicContact OE1-NH1 3.03Å; E113-R136 PolarHBondContact OE1-NH1 2.84Å; E113-R136 WeakPolarHBondContact OE2-CD 3.46Å; E113-R136 IonicContact OE2-CZ 3.12Å; E113-R136 IonicContact OE2-NE 2.72Å; E113-R136 PolarHBondContact OE2-NE 2.85Å; E113-R136 VanDerWaalsContact OE2-NE 3.09Å; E113-R136 IonicContact OE2-NH1 3.9Å; E113-R136 PolarHBondContact OE2-NH1 3.46Å; E113-R136 IonicContact OE2-NH2 3.59Å; F116-R136 HydrophobicContact CD1-CB 3.72Å; F116-R136 HydrophobicContact CD1-CG 3.74Å; F116-R136 HydrophobicContact CE1-CB 3.45Å; F116-R136 VanDerWaalsContact CE1-CB 3.45Å; F116-R136 HydrophobicContact CE1-CG 4.03Å; F116-R136 HydrophobicContact CE2-CB 4.44Å; F116-R136 HydrophobicContact CG-CB 4.33Å; F116-R136 HydrophobicContact CG-CG 4.14Å; F116-R136 VanDerWaalsContact CZ-CA 3.45Å; F116-R136 HydrophobicContact CZ-CB 3.85Å; P132-R136 WeakPolarHBondContact O-CB 3.32Å; P132-R136 PolarHBondContact O-N 3.42Å; G133-R136 WeakPolarHBondContact O-CB 3.48Å; G133-R136 PolarHBondContact O-N 3.32Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-L138 PolarHBondContact O-N 3.31Å; R136-W139 PolarHBondContact O-N 2.9Å; R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 2.82Å
137N79.1Confident77.1Confident109 Ų10985.2 Ų85.258%0.58343%0.428SS*.Hα-helixtrans-61.6-43.5-177.3-71.6-29.1000111.2G133 E134 A140 Q141G133-N137 VanDerWaalsContact O-CG 3.23Å; G133-N137 PolarHBondContact O-N 3.39Å; G133-N137 PolarHBondContact O-ND2 2.98Å; G133-N137 VanDerWaalsContact O-ND2 3.14Å; E134-N137 PolarHBondContact O-N 2.76Å; N137-A140 PolarHBondContact O-N 3.47Å; N137-Q141 WeakPolarHBondContact O-CB 3.49Å; N137-Q141 PolarHBondContact O-N 3.04Å
138L79.3Confident77.4Confident84 Ų8483.9 Ų83.944%0.4442%0.417SS..Hα-helixtrans-64.9-42.2177-176.756000112.3E134 R136 Q141 L142 F153E134-L138 WeakPolarHBondContact O-CB 3.36Å; E134-L138 PolarHBondContact O-N 3Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-L138 PolarHBondContact O-N 3.31Å; L138-Q141 PolarHBondContact O-N 3.02Å; L138-L142 HydrophobicContact CD1-CD1 4.16Å; L138-L142 HydrophobicContact CG-CD1 4.18Å; L138-L142 WeakPolarHBondContact O-CB 3.5Å; L138-L142 PolarHBondContact O-N 3.31Å; L138-F153 HydrophobicContact CB-CZ 4.31Å; L138-F153 HydrophobicContact CD2-CE2 3.56Å; L138-F153 HydrophobicContact CD2-CZ 3.71Å; L138-F153 HydrophobicContact CG-CE2 4.04Å; L138-F153 HydrophobicContact CG-CZ 3.88Å
139W81.6Confident77.5Confident10 Ų1085.4 Ų85.44%0.03842%0.423CS..Hα-helixtrans-63.6-46.4175.5-178.182.9000112.4H115 F116 L119 V135 R136 Q141 L142 R143 L150 F153 E154H115-W139 HydrophobicContact CB-CH2 3.72Å; H115-W139 HydrophobicContact CB-CZ3 4.44Å; F116-W139 HydrophobicContact CB-CE3 3.9Å; F116-W139 HydrophobicContact CB-CH2 4.49Å; F116-W139 HydrophobicContact CB-CZ3 3.84Å; F116-W139 HydrophobicContact CD2-CB 3.98Å; F116-W139 AromaticContact CD2-CD2 3.79Å; F116-W139 HydrophobicContact CD2-CD2 3.79Å; F116-W139 AromaticContact CD2-CE3 3.79Å; F116-W139 HydrophobicContact CD2-CE3 3.79Å; F116-W139 AromaticContact CD2-CG 3.88Å; F116-W139 HydrophobicContact CD2-CG 3.88Å; F116-W139 HydrophobicContact CE2-CB 3.94Å; F116-W139 HydrophobicContact CE2-CG 4.21Å; F116-W139 HydrophobicContact CG-CE3 4.23Å; L119-W139 HydrophobicContact CD2-CD2 4.42Å; L119-W139 HydrophobicContact CD2-CG 4.34Å; L119-W139 HydrophobicContact CD2-CZ2 4.32Å; V135-W139 WeakPolarHBondContact O-CB 3.47Å; V135-W139 PolarHBondContact O-N 3.31Å; R136-W139 PolarHBondContact O-N 2.9Å; W139-Q141 VanDerWaalsContact C-N 3.31Å; W139-Q141 PolarHBondContact O-N 3.06Å; W139-L142 PolarHBondContact O-N 3.17Å; W139-R143 VanDerWaalsContact CH2-NH1 3.35Å; W139-R143 WeakPolarHBondContact O-CB 3.39Å; W139-R143 PolarHBondContact O-N 2.96Å; W139-L150 HydrophobicContact CG-CD1 4.31Å; W139-F153 HydrophobicContact CB-CE1 3.99Å; W139-E154 PolarHBondContact NE1-OE1 3.45Å
140A78.9Confident77.7Confident20 Ų2084.4 Ų84.417%0.16542%0.42CS..Hα-helixtrans-62.8-37.9178.900000112R136 N137 R144R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 2.82Å; N137-A140 PolarHBondContact O-N 3.47Å; A140-R144 PolarHBondContact O-N 2.93Å
141Q77.9Confident78Confident119 Ų11978.2 Ų78.256%0.55640%0.4SS*.Hα-helixtrans-68.4-49.2175.3-171.3170.64.700112N137 L138 W139 R143 R144 D145N137-Q141 WeakPolarHBondContact O-CB 3.49Å; N137-Q141 PolarHBondContact O-N 3.04Å; L138-Q141 PolarHBondContact O-N 3.02Å; W139-Q141 VanDerWaalsContact C-N 3.31Å; W139-Q141 PolarHBondContact O-N 3.06Å; Q141-R143 PolarHBondContact O-N 3.45Å; Q141-R144 PolarHBondContact O-N 2.92Å; Q141-D145 WeakPolarHBondContact CG-OD2 3.28Å; Q141-D145 PolarHBondContact NE2-OD2 3.4Å; Q141-D145 VanDerWaalsContact NE2-OD2 3.1Å; Q141-D145 PolarHBondContact O-N 3.12Å
142L79.6Confident78.3Confident30 Ų3078.2 Ų78.216%0.15740%0.4CS..Hα-helixtrans-55.7-37.6174.9-92.2155.9000112.6L138 W139 R144 E146 L149 L150 F153L138-L142 HydrophobicContact CD1-CD1 4.16Å; L138-L142 HydrophobicContact CG-CD1 4.18Å; L138-L142 WeakPolarHBondContact O-CB 3.5Å; L138-L142 PolarHBondContact O-N 3.31Å; W139-L142 PolarHBondContact O-N 3.17Å; L142-R144 VanDerWaalsContact C-N 3.31Å; L142-R144 PolarHBondContact O-N 3.45Å; L142-E146 CarbonylContact O-C 3.12Å; L142-E146 PolarHBondContact O-N 3.23Å; L142-E146 VanDerWaalsContact O-N 3.14Å; L142-L149 HydrophobicContact CD2-CB 3.77Å; L142-L149 HydrophobicContact CD2-CD1 4.44Å; L142-L150 HydrophobicContact CB-CD1 3.9Å; L142-F153 HydrophobicContact CD1-CB 4.01Å; L142-F153 HydrophobicContact CD1-CD1 4.07Å; L142-F153 HydrophobicContact CD1-CD2 4.08Å; L142-F153 HydrophobicContact CD1-CG 3.78Å
143R78Confident78.8Confident94 Ų9477 Ų7736%0.35539%0.389SS..Hα-helixtrans-68.5-25.7178.1-171.2175.4-179.2-155.41.4113.5W139 Q141 L150W139-R143 VanDerWaalsContact CH2-NH1 3.35Å; W139-R143 WeakPolarHBondContact O-CB 3.39Å; W139-R143 PolarHBondContact O-N 2.96Å; Q141-R143 PolarHBondContact O-N 3.45Å; R143-L150 HydrophobicContact CB-CD1 4.08Å; R143-L150 HydrophobicContact CB-CD2 4.19Å; R143-L150 HydrophobicContact CG-CD2 4.1Å
144R77.6Confident79.2Confident164 Ų16478.2 Ų78.262%0.61939%0.387SS*.Hα-helixtrans-91-45.8176.1-71.3-174.7-177.6178.96.1112.9E112 A140 Q141 L142E112-R144 VanDerWaalsContact CD-NH2 3.27Å; E112-R144 IonicContact OE1-CZ 3.98Å; E112-R144 IonicContact OE1-NE 2.74Å; E112-R144 PolarHBondContact OE1-NE 3.43Å; E112-R144 IonicContact OE1-NH2 3.05Å; E112-R144 PolarHBondContact OE1-NH2 2.69Å; E112-R144 IonicContact OE2-CZ 3.57Å; E112-R144 IonicContact OE2-NH2 3.4Å; E112-R144 PolarHBondContact OE2-NH2 2.89Å; A140-R144 PolarHBondContact O-N 2.93Å; Q141-R144 PolarHBondContact O-N 2.92Å; L142-R144 VanDerWaalsContact C-N 3.31Å; L142-R144 PolarHBondContact O-N 3.45Å
145D78.9Confident79.6Confident106 Ų10675.7 Ų75.757%0.56738%0.375SS*.Hα-helixtrans-89.3-45.5-167.8-64.1-17.5000112.4Q141Q141-D145 WeakPolarHBondContact CG-OD2 3.28Å; Q141-D145 PolarHBondContact NE2-OD2 3.4Å; Q141-D145 VanDerWaalsContact NE2-OD2 3.1Å; Q141-D145 PolarHBondContact O-N 3.12Å
146E77.4Confident80Confident97 Ų9780.2 Ų80.245%0.45339%0.393SS..  trans-138.871.1-176.4-67.8-156.6122.700113L142 H148 L149L142-E146 CarbonylContact O-C 3.12Å; L142-E146 PolarHBondContact O-N 3.23Å; L142-E146 VanDerWaalsContact O-N 3.14Å; E146-H148 PolarHBondContact O-N 3.43Å; E146-H148 IonicContact OE1-CE1 3.45Å; E146-L149 HydrophobicContact CB-CD1 4.36Å; E146-L149 PolarHBondContact O-N 3.21Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.49Å
147P73.5Confident80.1Confident88 Ų8877 Ų7757%0.57138%0.382SS*.THydrogen-bonded Turntrans-63.1-11.9-173.125.3-36.1000114.8
148H75.9Confident80.4Confident130 Ų13073.5 Ų73.560%0.60237%0.368SS*.THydrogen-bonded Turntrans-78-17.917674-82.6000113.6E146E146-H148 PolarHBondContact O-N 3.43Å; E146-H148 IonicContact OE1-CE1 3.45Å
149L79.5Confident80.8Confident60 Ų6076.7 Ų76.731%0.31437%0.374SS..THydrogen-bonded Turntrans-93.2-13.5175.2-67.7179.3000113.3L142 E146 S151 N152 F153L142-L149 HydrophobicContact CD2-CB 3.77Å; L142-L149 HydrophobicContact CD2-CD1 4.44Å; E146-L149 HydrophobicContact CB-CD1 4.36Å; E146-L149 PolarHBondContact O-N 3.21Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.49Å; L149-S151 VanDerWaalsContact C-N 3.31Å; L149-S151 PolarHBondContact O-N 3.26Å; L149-N152 WeakPolarHBondContact O-CB 3.37Å; L149-N152 PolarHBondContact O-N 3.04Å; L149-F153 PolarHBondContact O-N 3.42Å; L149-F153 VanDerWaalsContact O-N 3.15Å
150L80.5Confident81Confident24 Ų2477.9 Ų77.913%0.12638%0.382CS..Hα-helixtrans-55-45-174.6-162.770.2000112.2W139 L142 R143 N152 F153 E154W139-L150 HydrophobicContact CG-CD1 4.31Å; L142-L150 HydrophobicContact CB-CD1 3.9Å; R143-L150 HydrophobicContact CB-CD1 4.08Å; R143-L150 HydrophobicContact CB-CD2 4.19Å; R143-L150 HydrophobicContact CG-CD2 4.1Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.89Å; L150-F153 PolarHBondContact O-N 3.24Å; L150-F153 VanDerWaalsContact O-N 3.13Å; L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.37Å
151S80.6Confident81.4Confident81 Ų8176.9 Ų76.957%0.56637%0.374SS*.Hα-helixtrans-62-30.9177.4-174.80000113.7L149 E155L149-S151 VanDerWaalsContact C-N 3.31Å; L149-S151 PolarHBondContact O-N 3.26Å; S151-E155 WeakPolarHBondContact O-CB 3.25Å; S151-E155 PolarHBondContact O-N 3.03Å
152N83.6Confident81.8Confident96 Ų9678.4 Ų78.451%0.51338%0.376SS..Hα-helixtrans-74.9-35.8177-62.4-29.9000110.8L149 L150 F156L149-N152 WeakPolarHBondContact O-CB 3.37Å; L149-N152 PolarHBondContact O-N 3.04Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.89Å; N152-F156 WeakPolarHBondContact O-CB 3.47Å; N152-F156 PolarHBondContact O-N 3.29Å
153F82.4Confident82.3Confident31 Ų3183 Ų8314%0.13640%0.396CS..Hα-helixtrans-70.6-39.9175.1-176.9-108.9000111.6V135 L138 W139 L142 L149 L150 F156 L157V135-F153 HydrophobicContact CG1-CZ 4.28Å; L138-F153 HydrophobicContact CB-CZ 4.31Å; L138-F153 HydrophobicContact CD2-CE2 3.56Å; L138-F153 HydrophobicContact CD2-CZ 3.71Å; L138-F153 HydrophobicContact CG-CE2 4.04Å; L138-F153 HydrophobicContact CG-CZ 3.88Å; W139-F153 HydrophobicContact CB-CE1 3.99Å; L142-F153 HydrophobicContact CD1-CB 4.01Å; L142-F153 HydrophobicContact CD1-CD1 4.07Å; L142-F153 HydrophobicContact CD1-CD2 4.08Å; L142-F153 HydrophobicContact CD1-CG 3.78Å; L149-F153 PolarHBondContact O-N 3.42Å; L149-F153 VanDerWaalsContact O-N 3.15Å; L150-F153 PolarHBondContact O-N 3.24Å; L150-F153 VanDerWaalsContact O-N 3.13Å; F153-F156 WeakPolarHBondContact O-CB 3.29Å; F153-F156 PolarHBondContact O-N 3.04Å; F153-L157 HydrophobicContact CD1-CD1 4.01Å; F153-L157 HydrophobicContact CD1-CG 4.46Å; F153-L157 HydrophobicContact CE1-CD1 3.54Å; F153-L157 HydrophobicContact CE1-CG 4.13Å; F153-L157 HydrophobicContact CZ-CD1 3.97Å; F153-L157 HydrophobicContact CZ-CD2 4.28Å; F153-L157 HydrophobicContact CZ-CG 4.16Å; F153-L157 WeakPolarHBondContact O-CG 3.45Å; F153-L157 PolarHBondContact O-N 3.12Å
154E83.1Confident82.8Confident52 Ų5281.1 Ų81.124%0.24339%0.393CS..Hα-helixtrans-65.2-40.5174.1-70.1174.2173.500111.8L119 W139 L150 L157 A158L119-E154 HydrophobicContact CD1-CB 4.46Å; L119-E154 HydrophobicContact CD1-CG 3.96Å; L119-E154 HydrophobicContact CD2-CG 3.85Å; W139-E154 PolarHBondContact NE1-OE1 3.45Å; L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.37Å; E154-L157 PolarHBondContact O-N 3.16Å; E154-A158 WeakPolarHBondContact O-CB 3.43Å; E154-A158 PolarHBondContact O-N 2.92Å
155E84.1Confident83.3Confident96 Ų9677.3 Ų77.345%0.44938%0.381SS..Hα-helixtrans-66.6-38.1172-161-167.6174.900112.3S151 A158 R159S151-E155 WeakPolarHBondContact O-CB 3.25Å; S151-E155 PolarHBondContact O-N 3.03Å; E155-A158 WeakPolarHBondContact O-CB 3.32Å; E155-A158 PolarHBondContact O-N 3.41Å; E155-R159 VanDerWaalsContact CD-NH2 3.27Å; E155-R159 VanDerWaalsContact O-CG 3.3Å; E155-R159 WeakPolarHBondContact O-CG 3.24Å; E155-R159 PolarHBondContact O-N 2.92Å; E155-R159 IonicContact OE1-CZ 3.21Å; E155-R159 VanDerWaalsContact OE1-CZ 3.27Å; E155-R159 IonicContact OE1-NE 3.45Å; E155-R159 PolarHBondContact OE1-NE 3.23Å; E155-R159 VanDerWaalsContact OE1-NE 3.12Å; E155-R159 IonicContact OE1-NH2 3.27Å; E155-R159 PolarHBondContact OE1-NH2 2.84Å; E155-R159 IonicContact OE2-NH2 2.66Å; E155-R159 PolarHBondContact OE2-NH2 3.08Å
156F87.2Confident83.9Confident120 Ų12076.6 Ų76.653%0.52637%0.374SS..Hα-helixtrans-61.7-47.6173.9174.3-100000111.6N152 F153 A158 R159 V160N152-F156 WeakPolarHBondContact O-CB 3.47Å; N152-F156 PolarHBondContact O-N 3.29Å; F153-F156 WeakPolarHBondContact O-CB 3.29Å; F153-F156 PolarHBondContact O-N 3.04Å; F156-A158 VanDerWaalsContact C-N 3.3Å; F156-A158 PolarHBondContact O-N 3.29Å; F156-R159 PolarHBondContact O-N 2.82Å; F156-V160 HydrophobicContact CD1-CG2 4.31Å; F156-V160 HydrophobicContact CD2-CG2 4.24Å; F156-V160 HydrophobicContact CE1-CG2 3.88Å; F156-V160 HydrophobicContact CE2-CG2 3.81Å; F156-V160 HydrophobicContact CG-CG2 4.48Å; F156-V160 HydrophobicContact CZ-CG2 3.61Å; F156-V160 WeakPolarHBondContact O-CG2 3.44Å; F156-V160 PolarHBondContact O-N 3.48Å
157L84Confident84.6Confident7 Ų774.5 Ų74.54%0.03737%0.373CS..Hα-helixtrans-60.1-39.5174.4-72.4179.2000111.8L123 F129 V135 F153 E154 T161L123-L157 HydrophobicContact CD1-CB 3.93Å; F129-L157 HydrophobicContact CE2-CD2 4.28Å; F129-L157 HydrophobicContact CZ-CD2 3.97Å; V135-L157 HydrophobicContact CG1-CD1 3.81Å; V135-L157 HydrophobicContact CG1-CD2 3.81Å; V135-L157 HydrophobicContact CG1-CG 4.48Å; F153-L157 HydrophobicContact CD1-CD1 4.01Å; F153-L157 HydrophobicContact CD1-CG 4.46Å; F153-L157 HydrophobicContact CE1-CD1 3.54Å; F153-L157 HydrophobicContact CE1-CG 4.13Å; F153-L157 HydrophobicContact CZ-CD1 3.97Å; F153-L157 HydrophobicContact CZ-CD2 4.28Å; F153-L157 HydrophobicContact CZ-CG 4.16Å; F153-L157 WeakPolarHBondContact O-CG 3.45Å; F153-L157 PolarHBondContact O-N 3.12Å; E154-L157 PolarHBondContact O-N 3.16Å; L157-T161 WeakPolarHBondContact O-CB 3.17Å; L157-T161 PolarHBondContact O-N 3.45Å; L157-T161 PolarHBondContact O-OG1 2.67Å
158A84.7Confident85.4Confident35 Ų3575.7 Ų75.729%0.28937%0.371SS..Hα-helixtrans-59.2-47.8174.600000111.9L123 E154 E155 F156 T161 Y162L123-A158 HydrophobicContact CD2-CB 3.75Å; E154-A158 WeakPolarHBondContact O-CB 3.43Å; E154-A158 PolarHBondContact O-N 2.92Å; E155-A158 WeakPolarHBondContact O-CB 3.32Å; E155-A158 PolarHBondContact O-N 3.41Å; F156-A158 VanDerWaalsContact C-N 3.3Å; F156-A158 PolarHBondContact O-N 3.29Å; A158-T161 PolarHBondContact O-N 2.84Å; A158-Y162 WeakPolarHBondContact O-CB 3.42Å; A158-Y162 PolarHBondContact O-N 3.3Å
159R86.9Confident86.2Confident150 Ų15073.7 Ų73.757%0.56636%0.362SS*.Hα-helixtrans-66-44.2179.9-68.5170.1-178.2-162.36.6112.4E155 F156 Y162 Q163E155-R159 VanDerWaalsContact CD-NH2 3.27Å; E155-R159 VanDerWaalsContact O-CG 3.3Å; E155-R159 WeakPolarHBondContact O-CG 3.24Å; E155-R159 PolarHBondContact O-N 2.92Å; E155-R159 IonicContact OE1-CZ 3.21Å; E155-R159 VanDerWaalsContact OE1-CZ 3.27Å; E155-R159 IonicContact OE1-NE 3.45Å; E155-R159 PolarHBondContact OE1-NE 3.23Å; E155-R159 VanDerWaalsContact OE1-NE 3.12Å; E155-R159 IonicContact OE1-NH2 3.27Å; E155-R159 PolarHBondContact OE1-NH2 2.84Å; E155-R159 IonicContact OE2-NH2 2.66Å; E155-R159 PolarHBondContact OE2-NH2 3.08Å; F156-R159 PolarHBondContact O-N 2.82Å; R159-Y162 PolarHBondContact O-N 2.87Å; R159-Q163 WeakPolarHBondContact O-CG 3.45Å; R159-Q163 PolarHBondContact O-N 2.95Å
160V87.4Confident86.9Confident35 Ų3576.8 Ų76.821%0.21238%0.375CS..Hα-helixtrans-64.5-45.4176.3171.10000110.8F129 F156 Y162 Q163 I164F129-V160 HydrophobicContact CE1-CG1 3.99Å; F129-V160 HydrophobicContact CZ-CG1 4.29Å; F156-V160 HydrophobicContact CD1-CG2 4.31Å; F156-V160 HydrophobicContact CD2-CG2 4.24Å; F156-V160 HydrophobicContact CE1-CG2 3.88Å; F156-V160 HydrophobicContact CE2-CG2 3.81Å; F156-V160 HydrophobicContact CG-CG2 4.48Å; F156-V160 HydrophobicContact CZ-CG2 3.61Å; F156-V160 WeakPolarHBondContact O-CG2 3.44Å; F156-V160 PolarHBondContact O-N 3.48Å; V160-Y162 VanDerWaalsContact C-N 3.28Å; V160-Y162 PolarHBondContact O-N 2.91Å; V160-Q163 PolarHBondContact O-N 3.25Å; V160-I164 HydrophobicContact CG1-CD1 3.65Å; V160-I164 HydrophobicContact CG1-CG1 4.39Å; V160-I164 WeakPolarHBondContact O-CG1 3.19Å; V160-I164 PolarHBondContact O-N 2.83Å
161T86.4Confident87.5Confident0 Ų080.9 Ų80.90%039%0.391CS..Hα-helixtrans-59.1-40.4176.2-61.50000111.6A125 V128 L157 A158 K165A125-T161 HydrophobicContact CB-CG2 3.68Å; A125-T161 WeakPolarHBondContact CB-OG1 3.03Å; V128-T161 HydrophobicContact CB-CG2 4.45Å; V128-T161 HydrophobicContact CG1-CG2 4.29Å; V128-T161 HydrophobicContact CG2-CG2 4.17Å; L157-T161 WeakPolarHBondContact O-CB 3.17Å; L157-T161 PolarHBondContact O-N 3.45Å; L157-T161 PolarHBondContact O-OG1 2.67Å; A158-T161 PolarHBondContact O-N 2.84Å; T161-K165 HydrophobicContact CG2-CD 4.05Å; T161-K165 VanDerWaalsContact CG2-CE 3.49Å; T161-K165 WeakPolarHBondContact O-CB 3.18Å; T161-K165 WeakPolarHBondContact O-CD 3.45Å; T161-K165 VanDerWaalsContact O-CG 3.24Å; T161-K165 WeakPolarHBondContact O-CG 3.31Å; T161-K165 PolarHBondContact O-N 3.13Å; T161-K165 VanDerWaalsContact O-N 3.1Å
162Y87.4Confident88.2Confident151 Ų15183.4 Ų83.459%0.59239%0.392SS*.Hα-helixtrans-62.8-51.3176-176.3-90.5000111.6A158 R159 V160 I164 K165 E166A158-Y162 WeakPolarHBondContact O-CB 3.42Å; A158-Y162 PolarHBondContact O-N 3.3Å; R159-Y162 PolarHBondContact O-N 2.87Å; V160-Y162 VanDerWaalsContact C-N 3.28Å; V160-Y162 PolarHBondContact O-N 2.91Å; Y162-I164 PolarHBondContact O-N 2.84Å; Y162-K165 WeakPolarHBondContact O-CB 3.34Å; Y162-K165 PolarHBondContact O-N 3.16Å; Y162-E166 WeakPolarHBondContact CE1-OE2 3.22Å; Y162-E166 WeakPolarHBondContact O-CB 3.34Å; Y162-E166 PolarHBondContact O-N 2.61Å
163Q89.4Confident88.8Confident126 Ų12684 Ų8459%0.58939%0.392SS*.Hα-helixtrans-62.1-38.8-179.5-72.6179.1-1100113R159 V160 E166 A167R159-Q163 WeakPolarHBondContact O-CG 3.45Å; R159-Q163 PolarHBondContact O-N 2.95Å; V160-Q163 PolarHBondContact O-N 3.25Å; Q163-E166 PolarHBondContact O-N 3.22Å; Q163-A167 WeakPolarHBondContact O-CB 3.39Å; Q163-A167 PolarHBondContact O-N 3.39Å
164I88.5Confident89.4Confident54 Ų5489.2 Ų89.228%0.27742%0.418SS..Hα-helixtrans-67.9-40.1176.7-64.1168.4000110.7V128 F129 V160 Y162 H168V128-I164 HydrophobicContact CG1-CB 3.78Å; V128-I164 HydrophobicContact CG1-CD1 4.14Å; V128-I164 HydrophobicContact CG1-CG2 3.57Å; F129-I164 HydrophobicContact CE1-CD1 4.22Å; V160-I164 HydrophobicContact CG1-CD1 3.65Å; V160-I164 HydrophobicContact CG1-CG1 4.39Å; V160-I164 WeakPolarHBondContact O-CG1 3.19Å; V160-I164 PolarHBondContact O-N 2.83Å; Y162-I164 PolarHBondContact O-N 2.84Å; I164-H168 WeakPolarHBondContact O-CB 3.36Å; I164-H168 PolarHBondContact O-CD2 3.22Å; I164-H168 PolarHBondContact O-N 3.23Å
165K87.9Confident90.1Very high84 Ų8491 Ų9137%0.36543%0.427SS..Hα-helixtrans-63.3-42.9173.5-75.1168.6179.5170.80112.4L123 G124 V128 T161 Y162 H168 Q169L123-K165 PolarHBondContact O-NZ 3.45Å; G124-K165 VanDerWaalsContact C-NZ 3.28Å; G124-K165 WeakPolarHBondContact O-CE 3.18Å; G124-K165 PolarHBondContact O-NZ 2.85Å; V128-K165 HydrophobicContact CG2-CG 4.36Å; T161-K165 HydrophobicContact CG2-CD 4.05Å; T161-K165 VanDerWaalsContact CG2-CE 3.49Å; T161-K165 WeakPolarHBondContact O-CB 3.18Å; T161-K165 WeakPolarHBondContact O-CD 3.45Å; T161-K165 VanDerWaalsContact O-CG 3.24Å; T161-K165 WeakPolarHBondContact O-CG 3.31Å; T161-K165 PolarHBondContact O-N 3.13Å; T161-K165 VanDerWaalsContact O-N 3.1Å; Y162-K165 WeakPolarHBondContact O-CB 3.34Å; Y162-K165 PolarHBondContact O-N 3.16Å; K165-H168 PolarHBondContact O-N 3.41Å; K165-Q169 WeakPolarHBondContact O-CB 3.5Å; K165-Q169 PolarHBondContact O-N 3.01Å
166E91.6Very high90.6Very high91 Ų9188.4 Ų88.443%0.42542%0.419SS..Hα-helixtrans-60.2-52.8177.2-171.8167.8-141.100110.3Y162 Q163 H168 Q169 E170Y162-E166 WeakPolarHBondContact CE1-OE2 3.22Å; Y162-E166 WeakPolarHBondContact O-CB 3.34Å; Y162-E166 PolarHBondContact O-N 2.61Å; Q163-E166 PolarHBondContact O-N 3.22Å; E166-H168 VanDerWaalsContact C-N 3.34Å; E166-H168 PolarHBondContact O-N 3.36Å; E166-Q169 PolarHBondContact O-N 3.46Å; E166-E170 PolarHBondContact O-N 3.46Å
167A91.3Very high91Very high53 Ų5384.8 Ų84.844%0.43841%0.412SS..Hα-helixtrans-61.2-36176.300000113.6Q163 K171Q163-A167 WeakPolarHBondContact O-CB 3.39Å; Q163-A167 PolarHBondContact O-N 3.39Å; A167-K171 VanDerWaalsContact O-CB 3.26Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 PolarHBondContact O-N 3.05Å
168H90.1Very high91.6Very high113 Ų11390 Ų9052%0.52344%0.439SS..Hα-helixtrans-67.5-36.9172.9-81-50.9000112.9I164 K165 E166 K172I164-H168 WeakPolarHBondContact O-CB 3.36Å; I164-H168 PolarHBondContact O-CD2 3.22Å; I164-H168 PolarHBondContact O-N 3.23Å; K165-H168 PolarHBondContact O-N 3.41Å; E166-H168 VanDerWaalsContact C-N 3.34Å; E166-H168 PolarHBondContact O-N 3.36Å; H168-K172 VanDerWaalsContact O-CB 3.3Å; H168-K172 WeakPolarHBondContact O-CB 3.43Å; H168-K172 PolarHBondContact O-N 3.27Å
169Q92.9Very high92.1Very high88 Ų8894.8 Ų94.841%0.41146%0.455SS..Hα-helixtrans-70-45.5176.1-179.760.322.300110.9K165 E166 K171 K172 E173K165-Q169 WeakPolarHBondContact O-CB 3.5Å; K165-Q169 PolarHBondContact O-N 3.01Å; E166-Q169 PolarHBondContact O-N 3.46Å; Q169-K171 PolarHBondContact O-N 3.02Å; Q169-K172 PolarHBondContact O-N 3.28Å; Q169-E173 PolarHBondContact NE2-OE1 2.97Å; Q169-E173 WeakPolarHBondContact O-CG 3.32Å; Q169-E173 PolarHBondContact O-N 2.83Å
170E94.3Very high92.5Very high125 Ų12595.1 Ų95.158%0.58446%0.457SS*.Hα-helixtrans-56.8-46.9172.7-71.4-170.9148.900111.9E166 K172 E173 M174E166-E170 PolarHBondContact O-N 3.46Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 2.94Å; E170-E173 PolarHBondContact O-N 3.47Å; E170-M174 WeakPolarHBondContact O-CG 3.41Å; E170-M174 PolarHBondContact O-N 2.82Å
171K94.5Very high93Very high110 Ų11099.1 Ų99.148%0.47847%0.471SS..Hα-helixtrans-55.8-49175173.9179.5169.9179.70111.1A167 Q169 E173 M174 E175A167-K171 VanDerWaalsContact O-CB 3.26Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 PolarHBondContact O-N 3.05Å; Q169-K171 PolarHBondContact O-N 3.02Å; K171-E173 VanDerWaalsContact C-N 3.32Å; K171-E173 PolarHBondContact O-N 3.26Å; K171-M174 PolarHBondContact O-N 2.98Å; K171-E175 WeakPolarHBondContact CE-OE1 3.5Å; K171-E175 HydrophobicContact CG-CG 4.45Å; K171-E175 IonicContact NZ-OE1 3.63Å; K171-E175 WeakPolarHBondContact O-CB 3.44Å; K171-E175 WeakPolarHBondContact O-CG 3.45Å; K171-E175 PolarHBondContact O-N 3.31Å
172K95.1Very high93.4Very high134 Ų134102.3 Ų102.358%0.58349%0.491SS*.Hα-helixtrans-64.3-36.1-179.9-177-179.1177.8-174.90112.2H168 Q169 E170 S176H168-K172 VanDerWaalsContact O-CB 3.3Å; H168-K172 WeakPolarHBondContact O-CB 3.43Å; H168-K172 PolarHBondContact O-N 3.27Å; Q169-K172 PolarHBondContact O-N 3.28Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 2.94Å; K172-S176 WeakPolarHBondContact O-CB 3.5Å; K172-S176 PolarHBondContact O-N 2.73Å
173E95.8Very high93.8Very high109 Ų10997.8 Ų97.851%0.50948%0.484SS..Hα-helixtrans-67.8-44.7174-75-177.5-156.800111.7Q169 E170 K171 S176 A177Q169-E173 PolarHBondContact NE2-OE1 2.97Å; Q169-E173 WeakPolarHBondContact O-CG 3.32Å; Q169-E173 PolarHBondContact O-N 2.83Å; E170-E173 PolarHBondContact O-N 3.47Å; K171-E173 VanDerWaalsContact C-N 3.32Å; K171-E173 PolarHBondContact O-N 3.26Å; E173-S176 PolarHBondContact O-N 3.42Å; E173-S176 PolarHBondContact O-OG 3.19Å; E173-A177 WeakPolarHBondContact O-CB 3.33Å; E173-A177 PolarHBondContact O-N 3.3Å
174M95.6Very high94.1Very high140 Ų14094.3 Ų94.369%0.6947%0.472SS*.Hα-helixtrans-61.8-43.4173-73-147.5-66.800112.6E170 K171 S176 A177 L178E170-M174 WeakPolarHBondContact O-CG 3.41Å; E170-M174 PolarHBondContact O-N 2.82Å; K171-M174 PolarHBondContact O-N 2.98Å; M174-S176 VanDerWaalsContact C-N 3.32Å; M174-S176 PolarHBondContact O-N 3.23Å; M174-A177 PolarHBondContact O-N 2.97Å; M174-A177 VanDerWaalsContact O-N 3.14Å; M174-L178 WeakPolarHBondContact O-CB 3.38Å; M174-L178 PolarHBondContact O-N 2.89Å
175E96.1Very high94.5Very high91 Ų9195.9 Ų95.943%0.42548%0.478SS..Hα-helixtrans-59.3-42.8173.6-76174.9170.700111K171 A177 L178 Q179K171-E175 WeakPolarHBondContact CE-OE1 3.5Å; K171-E175 HydrophobicContact CG-CG 4.45Å; K171-E175 IonicContact NZ-OE1 3.63Å; K171-E175 WeakPolarHBondContact O-CB 3.44Å; K171-E175 WeakPolarHBondContact O-CG 3.45Å; K171-E175 PolarHBondContact O-N 3.31Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 3.02Å; E175-L178 PolarHBondContact O-N 2.95Å; E175-Q179 WeakPolarHBondContact O-CB 3.43Å; E175-Q179 VanDerWaalsContact O-CG 3.25Å; E175-Q179 WeakPolarHBondContact O-CG 3.49Å; E175-Q179 PolarHBondContact O-N 3.46Å
176S95.4Very high94.9Very high41 Ų4195.7 Ų95.729%0.28748%0.481SS..Hα-helixtrans-65.4-33175.386.50000113.2K172 E173 M174 R180K172-S176 WeakPolarHBondContact O-CB 3.5Å; K172-S176 PolarHBondContact O-N 2.73Å; E173-S176 PolarHBondContact O-N 3.42Å; E173-S176 PolarHBondContact O-OG 3.19Å; M174-S176 VanDerWaalsContact C-N 3.32Å; M174-S176 PolarHBondContact O-N 3.23Å; S176-R180 WeakPolarHBondContact O-CB 3.49Å; S176-R180 VanDerWaalsContact O-CG 3.28Å; S176-R180 WeakPolarHBondContact O-CG 3.48Å; S176-R180 PolarHBondContact O-N 2.79Å; S176-R180 VanDerWaalsContact O-N 3.12Å; S176-R180 PolarHBondContact O-NE 3.45Å; S176-R180 PolarHBondContact OG-NH2 2.86Å
177A96.5Very high95.1Very high44 Ų4494 Ų9436%0.36448%0.479SS..Hα-helixtrans-74.8-4217900000110.7E173 M174 E175 R180 K181E173-A177 WeakPolarHBondContact O-CB 3.33Å; E173-A177 PolarHBondContact O-N 3.3Å; M174-A177 PolarHBondContact O-N 2.97Å; M174-A177 VanDerWaalsContact O-N 3.14Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 3.02Å; A177-R180 PolarHBondContact O-N 3.07Å; A177-K181 WeakPolarHBondContact O-CB 3.37Å; A177-K181 PolarHBondContact O-N 2.9Å
178L95.3Very high95.4Very high117 Ų11796.3 Ų96.361%0.61348%0.481SS*.Hα-helixtrans-62.5-49.3173.8-177.261.6000111.1M174 E175 R180 K181 T182M174-L178 WeakPolarHBondContact O-CB 3.38Å; M174-L178 PolarHBondContact O-N 2.89Å; E175-L178 PolarHBondContact O-N 2.95Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 3.47Å; L178-K181 CarbonylContact O-C 3.58Å; L178-K181 PolarHBondContact O-N 3.18Å; L178-T182 PolarHBondContact O-N 2.84Å; L178-T182 PolarHBondContact O-OG1 3.24Å
179Q95.9Very high95.8Very high135 Ų13594.9 Ų94.963%0.63148%0.476SS*.Hα-helixtrans-58.2-43.8176.6-74.8174.310.600112.3E175 K181 T182 A183E175-Q179 WeakPolarHBondContact O-CB 3.43Å; E175-Q179 VanDerWaalsContact O-CG 3.25Å; E175-Q179 WeakPolarHBondContact O-CG 3.49Å; E175-Q179 PolarHBondContact O-N 3.46Å; Q179-K181 VanDerWaalsContact C-N 3.33Å; Q179-K181 PolarHBondContact O-N 3.29Å; Q179-T182 PolarHBondContact O-N 3.21Å; Q179-A183 WeakPolarHBondContact O-CB 3.35Å; Q179-A183 PolarHBondContact O-N 2.99Å
180R96.1Very high95.9Very high157 Ų15797.5 Ų97.559%0.59248%0.482SS*.Hα-helixtrans-60.1-41.8173.4-80.3176.8-74161.6-7.1111.9S176 A177 L178 A183 T184S176-R180 WeakPolarHBondContact O-CB 3.49Å; S176-R180 VanDerWaalsContact O-CG 3.28Å; S176-R180 WeakPolarHBondContact O-CG 3.48Å; S176-R180 PolarHBondContact O-N 2.79Å; S176-R180 VanDerWaalsContact O-N 3.12Å; S176-R180 PolarHBondContact O-NE 3.45Å; S176-R180 PolarHBondContact OG-NH2 2.86Å; A177-R180 PolarHBondContact O-N 3.07Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 3.47Å; R180-A183 PolarHBondContact O-N 3.06Å; R180-T184 PolarHBondContact O-N 3.24Å; R180-T184 PolarHBondContact O-OG1 3.45Å
181K96.1Very high96.1Very high119 Ų11997 Ų9752%0.51748%0.48SS..Hα-helixtrans-69.5-40.6178.5-94-71176.9-171.70113.3A177 L178 Q179 T184 H185A177-K181 WeakPolarHBondContact O-CB 3.37Å; A177-K181 PolarHBondContact O-N 2.9Å; L178-K181 CarbonylContact O-C 3.58Å; L178-K181 PolarHBondContact O-N 3.18Å; Q179-K181 VanDerWaalsContact C-N 3.33Å; Q179-K181 PolarHBondContact O-N 3.29Å; K181-T184 WeakPolarHBondContact CA-OG1 3.29Å; K181-T184 PolarHBondContact O-N 3.37Å; K181-T184 PolarHBondContact O-OG1 2.91Å; K181-H185 PolarHBondContact O-N 2.87Å; K181-H185 VanDerWaalsContact O-N 3.13Å; K181-H185 PolarHBondContact O-ND1 3.19Å
182T95.4Very high96.2Very high67 Ų6797.3 Ų97.341%0.41149%0.486SS..Hα-helixtrans-59.7-48.8171.9-56.10000110.1L178 Q179 T184 H185 D186L178-T182 PolarHBondContact O-N 2.84Å; L178-T182 PolarHBondContact O-OG1 3.24Å; Q179-T182 PolarHBondContact O-N 3.21Å; T182-T184 VanDerWaalsContact C-N 3.32Å; T182-T184 PolarHBondContact O-N 3.38Å; T182-H185 PolarHBondContact O-N 2.99Å; T182-H185 VanDerWaalsContact O-N 3.16Å; T182-D186 WeakPolarHBondContact O-CB 3.19Å; T182-D186 VanDerWaalsContact O-CG 3.22Å; T182-D186 PolarHBondContact O-N 3.29Å
183A96.3Very high96.3Very high55 Ų5597.4 Ų97.446%0.45548%0.484SS..Hα-helixtrans-60.4-33.9178.200000114.1Q179 R180 S187Q179-A183 WeakPolarHBondContact O-CB 3.35Å; Q179-A183 PolarHBondContact O-N 2.99Å; R180-A183 PolarHBondContact O-N 3.06Å; A183-S187 PolarHBondContact O-N 2.89Å; A183-S187 VanDerWaalsContact O-N 3.16Å
184T96Very high96.4Very high54 Ų5498.2 Ų98.233%0.33149%0.487SS..Hα-helixtrans-67.7-49172.649.60000111.8R180 K181 T182 D186 S187 E188R180-T184 PolarHBondContact O-N 3.24Å; R180-T184 PolarHBondContact O-OG1 3.45Å; K181-T184 WeakPolarHBondContact CA-OG1 3.29Å; K181-T184 PolarHBondContact O-N 3.37Å; K181-T184 PolarHBondContact O-OG1 2.91Å; T182-T184 VanDerWaalsContact C-N 3.32Å; T182-T184 PolarHBondContact O-N 3.38Å; T184-D186 VanDerWaalsContact C-N 3.32Å; T184-D186 PolarHBondContact O-N 3.15Å; T184-S187 WeakPolarHBondContact O-CA 3.49Å; T184-S187 PolarHBondContact O-N 3.33Å; T184-S187 PolarHBondContact O-OG 3.19Å; T184-E188 WeakPolarHBondContact O-CG 3.32Å; T184-E188 PolarHBondContact O-N 3.05Å
185H96.3Very high96.5Very high86 Ų8695.9 Ų95.940%0.39848%0.475SS..Hα-helixtrans-63.1-39.7178.2-57125.9000111.3K181 T182 S187 E188 I189K181-H185 PolarHBondContact O-N 2.87Å; K181-H185 VanDerWaalsContact O-N 3.13Å; K181-H185 PolarHBondContact O-ND1 3.19Å; T182-H185 PolarHBondContact O-N 2.99Å; T182-H185 VanDerWaalsContact O-N 3.16Å; H185-S187 PolarHBondContact O-N 3.35Å; H185-E188 IonicContact CD2-OE2 3.13Å; H185-E188 PolarHBondContact O-N 2.95Å; H185-I189 VanDerWaalsContact O-CB 3.31Å; H185-I189 WeakPolarHBondContact O-CB 3.39Å; H185-I189 WeakPolarHBondContact O-CD1 3.36Å; H185-I189 WeakPolarHBondContact O-CG1 3.41Å; H185-I189 PolarHBondContact O-N 2.86Å
186D95.9Very high96.5Very high80 Ų8095.9 Ų95.943%0.42848%0.476SS..Hα-helixtrans-62.8-23.4174.4-69-18000112.9T182 T184 R190T182-D186 WeakPolarHBondContact O-CB 3.19Å; T182-D186 VanDerWaalsContact O-CG 3.22Å; T182-D186 PolarHBondContact O-N 3.29Å; T184-D186 VanDerWaalsContact C-N 3.32Å; T184-D186 PolarHBondContact O-N 3.15Å; D186-R190 WeakPolarHBondContact O-CG 3.38Å; D186-R190 PolarHBondContact O-NE 3.35Å; D186-R190 PolarHBondContact O-NH2 3.01Å
187S96.9Very high96.5Very high55 Ų55100.2 Ų100.239%0.38549%0.492SS..Hα-helixtrans-84.2-40.6173.372.70000112.6A183 T184 H185 R190 H191A183-S187 PolarHBondContact O-N 2.89Å; A183-S187 VanDerWaalsContact O-N 3.16Å; T184-S187 WeakPolarHBondContact O-CA 3.49Å; T184-S187 PolarHBondContact O-N 3.33Å; T184-S187 PolarHBondContact O-OG 3.19Å; H185-S187 PolarHBondContact O-N 3.35Å; S187-R190 PolarHBondContact O-N 3.47Å; S187-H191 PolarHBondContact O-N 3.35Å
188E97.5Very high96.5Very high102 Ų102100.4 Ų100.448%0.47749%0.493SS..Hα-helixtrans-62.7-45174.7-68.6161.4-160.200110.9T184 H185 R190 H191 L192T184-E188 WeakPolarHBondContact O-CG 3.32Å; T184-E188 PolarHBondContact O-N 3.05Å; H185-E188 IonicContact CD2-OE2 3.13Å; H185-E188 PolarHBondContact O-N 2.95Å; E188-R190 PolarHBondContact O-N 3.37Å; E188-H191 PolarHBondContact O-N 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.38Å; E188-L192 PolarHBondContact O-N 2.94Å
189I96.9Very high96.6Very high84 Ų84100.3 Ų100.343%0.43149%0.489SS..Hα-helixtrans-60.6-44.3176.6-70.7165.6000111H185 L192 Y193H185-I189 VanDerWaalsContact O-CB 3.31Å; H185-I189 WeakPolarHBondContact O-CB 3.39Å; H185-I189 WeakPolarHBondContact O-CD1 3.36Å; H185-I189 WeakPolarHBondContact O-CG1 3.41Å; H185-I189 PolarHBondContact O-N 2.86Å; I189-L192 PolarHBondContact O-N 3.04Å; I189-Y193 HydrophobicContact CG2-CD2 3.75Å; I189-Y193 HydrophobicContact CG2-CE2 3.55Å; I189-Y193 WeakPolarHBondContact O-CD2 3.37Å; I189-Y193 PolarHBondContact O-N 3.35Å
190R96.1Very high96.6Very high142 Ų14298.8 Ų98.854%0.53649%0.485SS..Hα-helixtrans-65.1-44177-82.3179-70.3140.40.3112.5D186 S187 E188 L192 Y193 E194D186-R190 WeakPolarHBondContact O-CG 3.38Å; D186-R190 PolarHBondContact O-NE 3.35Å; D186-R190 PolarHBondContact O-NH2 3.01Å; S187-R190 PolarHBondContact O-N 3.47Å; E188-R190 PolarHBondContact O-N 3.37Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3Å; R190-Y193 PolarHBondContact O-N 2.95Å; R190-Y193 VanDerWaalsContact O-N 3.16Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3Å
191H97.4Very high96.6Very high116 Ų11697.4 Ų97.454%0.53748%0.483SS..Hα-helixtrans-57.2-43.1174.6-175.5-65.8000111.6S187 E188 E194 E195S187-H191 PolarHBondContact O-N 3.35Å; E188-H191 PolarHBondContact O-N 3.29Å; H191-E194 PolarHBondContact O-N 3.16Å; H191-E195 IonicContact CE1-OE2 2.66Å; H191-E195 PolarHBondContact CE1-OE2 3.04Å; H191-E195 IonicContact ND1-OE2 2.87Å; H191-E195 VanDerWaalsContact O-CB 3.3Å; H191-E195 WeakPolarHBondContact O-CB 3.24Å; H191-E195 PolarHBondContact O-N 2.68Å
192L97.6Very high96.7Very high115 Ų11596.9 Ų96.960%0.60249%0.486SS*.Hα-helixtrans-65.7-36.2177.7-70.6168.8000112.8E188 I189 R190 M196E188-L192 WeakPolarHBondContact O-CG 3.38Å; E188-L192 PolarHBondContact O-N 2.94Å; I189-L192 PolarHBondContact O-N 3.04Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3Å; L192-M196 WeakPolarHBondContact O-CB 3.36Å; L192-M196 PolarHBondContact O-N 3.1Å
193Y96.8Very high96.7Very high137 Ų13797.7 Ų97.754%0.53749%0.485SS..Hα-helixtrans-67.1-47.5171.9-81.7-66.2000112.1I189 R190 E195 M196 E197I189-Y193 HydrophobicContact CG2-CD2 3.75Å; I189-Y193 HydrophobicContact CG2-CE2 3.55Å; I189-Y193 WeakPolarHBondContact O-CD2 3.37Å; I189-Y193 PolarHBondContact O-N 3.35Å; R190-Y193 PolarHBondContact O-N 2.95Å; R190-Y193 VanDerWaalsContact O-N 3.16Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; Y193-E195 PolarHBondContact O-N 3Å; Y193-M196 HydrophobicContact CD1-CE 3.59Å; Y193-M196 HydrophobicContact CE1-CE 3.88Å; Y193-M196 PolarHBondContact O-N 2.78Å; Y193-E197 WeakPolarHBondContact O-CG 3.44Å; Y193-E197 PolarHBondContact O-N 2.98Å
194E97.6Very high96.6Very high126 Ų126101.6 Ų101.659%0.58949%0.492SS*.Hα-helixtrans-60.8-41.4179-71.2168.6-155.700111.7R190 H191 A198R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3Å; H191-E194 PolarHBondContact O-N 3.16Å; E194-A198 WeakPolarHBondContact O-CB 3.32Å; E194-A198 PolarHBondContact O-N 2.91Å
195E97.8Very high96.6Very high91 Ų91102.9 Ų102.943%0.42550%0.496SS..Hα-helixtrans-67.8-42.7175.4-171.5177.517000112.2H191 Y193 A198 Q199H191-E195 IonicContact CE1-OE2 2.66Å; H191-E195 PolarHBondContact CE1-OE2 3.04Å; H191-E195 IonicContact ND1-OE2 2.87Å; H191-E195 VanDerWaalsContact O-CB 3.3Å; H191-E195 WeakPolarHBondContact O-CB 3.24Å; H191-E195 PolarHBondContact O-N 2.68Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; Y193-E195 PolarHBondContact O-N 3Å; E195-A198 PolarHBondContact O-N 3.22Å; E195-Q199 WeakPolarHBondContact O-CG 3.09Å; E195-Q199 PolarHBondContact O-N 2.82Å
196M96.3Very high96.6Very high91 Ų91106.1 Ų106.145%0.44851%0.505SS..Hα-helixtrans-64.1-42.8176.6-179.5177.160.800111.9L192 Y193 Q199 I200L192-M196 WeakPolarHBondContact O-CB 3.36Å; L192-M196 PolarHBondContact O-N 3.1Å; Y193-M196 HydrophobicContact CD1-CE 3.59Å; Y193-M196 HydrophobicContact CE1-CE 3.88Å; Y193-M196 PolarHBondContact O-N 2.78Å; M196-Q199 PolarHBondContact O-N 2.84Å; M196-I200 HydrophobicContact CG-CD1 3.85Å; M196-I200 HydrophobicContact CG-CG1 4.49Å; M196-I200 WeakPolarHBondContact O-CB 3.48Å; M196-I200 VanDerWaalsContact O-CG1 3.27Å; M196-I200 WeakPolarHBondContact O-CG1 3.12Å; M196-I200 PolarHBondContact O-N 2.89Å
197E95.8Very high96.5Very high132 Ų132106.6 Ų106.662%0.61751%0.507SS*.Hα-helixtrans-63.9-39.9175.2-75.2-171.3-178.600111.8Y193 I200 K201Y193-E197 WeakPolarHBondContact O-CG 3.44Å; Y193-E197 PolarHBondContact O-N 2.98Å; E197-I200 PolarHBondContact O-N 2.78Å; E197-K201 WeakPolarHBondContact O-CB 3.34Å; E197-K201 PolarHBondContact O-N 3.18Å
198A96.4Very high96.4Very high48 Ų48108.3 Ų108.340%0.39752%0.515SS..Hα-helixtrans-62.9-41.8174.300000112.3E194 E195 K201 N202E194-A198 WeakPolarHBondContact O-CB 3.32Å; E194-A198 PolarHBondContact O-N 2.91Å; E195-A198 PolarHBondContact O-N 3.22Å; A198-K201 PolarHBondContact O-N 3.41Å; A198-N202 WeakPolarHBondContact O-CB 3.36Å; A198-N202 PolarHBondContact O-N 2.78Å; A198-N202 PolarHBondContact O-ND2 3.38Å
199Q97.4Very high96.4Very high114 Ų114108.7 Ų108.753%0.53352%0.52SS..Hα-helixtrans-64.3-47.5174.7-71.2-179.323.100111.9E195 M196 K201 N202 E203E195-Q199 WeakPolarHBondContact O-CG 3.09Å; E195-Q199 PolarHBondContact O-N 2.82Å; M196-Q199 PolarHBondContact O-N 2.84Å; Q199-K201 VanDerWaalsContact C-N 3.29Å; Q199-K201 PolarHBondContact O-N 2.86Å; Q199-N202 PolarHBondContact O-N 2.85Å; Q199-E203 PolarHBondContact O-N 3.24Å
200I96.1Very high96.4Very high104 Ų104108.8 Ų108.853%0.53352%0.519SS..Hα-helixtrans-58.5-42.4177-71.1166.5000110.8M196 E197 K204M196-I200 HydrophobicContact CG-CD1 3.85Å; M196-I200 HydrophobicContact CG-CG1 4.49Å; M196-I200 WeakPolarHBondContact O-CB 3.48Å; M196-I200 VanDerWaalsContact O-CG1 3.27Å; M196-I200 WeakPolarHBondContact O-CG1 3.12Å; M196-I200 PolarHBondContact O-N 2.89Å; E197-I200 PolarHBondContact O-N 2.78Å; I200-K204 VanDerWaalsContact O-CB 3.25Å; I200-K204 WeakPolarHBondContact O-CB 3.33Å; I200-K204 PolarHBondContact O-N 2.88Å
201K96.3Very high96.1Very high127 Ų127105.8 Ų105.855%0.55251%0.513SS*.Hα-helixtrans-63.1-51.4176.2-177.3-175.9171.9-170.50111.6E197 A198 Q199 E203 K204 D205E197-K201 WeakPolarHBondContact O-CB 3.34Å; E197-K201 PolarHBondContact O-N 3.18Å; A198-K201 PolarHBondContact O-N 3.41Å; Q199-K201 VanDerWaalsContact C-N 3.29Å; Q199-K201 PolarHBondContact O-N 2.86Å; K201-E203 VanDerWaalsContact C-N 3.31Å; K201-E203 PolarHBondContact O-N 2.95Å; K201-K204 PolarHBondContact O-N 2.77Å; K201-D205 VanDerWaalsContact CE-OD2 3.29Å; K201-D205 WeakPolarHBondContact CE-OD2 3.37Å; K201-D205 WeakPolarHBondContact CG-OD2 3.44Å; K201-D205 WeakPolarHBondContact O-CB 3.07Å; K201-D205 VanDerWaalsContact O-CG 3.31Å; K201-D205 PolarHBondContact O-N 3.37Å
202N97.1Very high96Very high108 Ų108103.6 Ų103.658%0.57851%0.511SS*.Hα-helixtrans-60.4-40.4-178.1-70.4-20.1000112.2A198 Q199 R206A198-N202 WeakPolarHBondContact O-CB 3.36Å; A198-N202 PolarHBondContact O-N 2.78Å; A198-N202 PolarHBondContact O-ND2 3.38Å; Q199-N202 PolarHBondContact O-N 2.85Å; N202-R206 VanDerWaalsContact O-CB 3.3Å; N202-R206 WeakPolarHBondContact O-CB 3.49Å; N202-R206 PolarHBondContact O-N 3.01Å
203E95.7Very high96Very high84 Ų84103.3 Ų103.339%0.39351%0.507SS..Hα-helixtrans-68.1-40.7175.2-82-62.8155.800112.8Q199 K201 R206 L207Q199-E203 PolarHBondContact O-N 3.24Å; K201-E203 VanDerWaalsContact C-N 3.31Å; K201-E203 PolarHBondContact O-N 2.95Å; E203-R206 PolarHBondContact O-N 3.32Å; E203-R206 IonicContact OE1-CZ 3.82Å; E203-R206 IonicContact OE1-NE 2.69Å; E203-R206 PolarHBondContact OE1-NE 3.36Å; E203-R206 IonicContact OE1-NH1 3.59Å; E203-R206 IonicContact OE1-NH2 3.09Å; E203-R206 PolarHBondContact OE1-NH2 3.27Å; E203-R206 IonicContact OE2-CZ 2.72Å; E203-R206 IonicContact OE2-NE 2.68Å; E203-R206 PolarHBondContact OE2-NE 3.37Å; E203-R206 IonicContact OE2-NH2 3.33Å; E203-R206 PolarHBondContact OE2-NH2 2.87Å; E203-L207 WeakPolarHBondContact O-CG 3.44Å; E203-L207 PolarHBondContact O-N 3.48Å
204K95.3Very high95.9Very high138 Ų138103.2 Ų103.260%0.651%0.505SS*.Hα-helixtrans-62.3-47.3174.4-178.8-177.7176.1-1750111.7I200 K201 R206 L207 V208I200-K204 VanDerWaalsContact O-CB 3.25Å; I200-K204 WeakPolarHBondContact O-CB 3.33Å; I200-K204 PolarHBondContact O-N 2.88Å; K201-K204 PolarHBondContact O-N 2.77Å; K204-R206 VanDerWaalsContact C-N 3.3Å; K204-R206 PolarHBondContact O-N 3.04Å; K204-L207 PolarHBondContact O-N 2.98Å; K204-V208 WeakPolarHBondContact O-CG2 3.35Å; K204-V208 PolarHBondContact O-N 2.82Å
205D95.3Very high95.8Very high80 Ų80103.1 Ų103.143%0.42851%0.508SS..Hα-helixtrans-64.6-36.9179.9-67.9-12.7000110.5K201 V208 L209K201-D205 VanDerWaalsContact CE-OD2 3.29Å; K201-D205 WeakPolarHBondContact CE-OD2 3.37Å; K201-D205 WeakPolarHBondContact CG-OD2 3.44Å; K201-D205 WeakPolarHBondContact O-CB 3.07Å; K201-D205 VanDerWaalsContact O-CG 3.31Å; K201-D205 PolarHBondContact O-N 3.37Å; D205-V208 PolarHBondContact O-N 2.84Å; D205-L209 PolarHBondContact O-N 2.9Å
206R96.4Very high95.7Very high154 Ų154104.2 Ų104.258%0.58151%0.513SS*.Hα-helixtrans-62-45.5171.9-176.3176.377.2153.93.7113N202 E203 K204 L209 Q210N202-R206 VanDerWaalsContact O-CB 3.3Å; N202-R206 WeakPolarHBondContact O-CB 3.49Å; N202-R206 PolarHBondContact O-N 3.01Å; E203-R206 PolarHBondContact O-N 3.32Å; E203-R206 IonicContact OE1-CZ 3.82Å; E203-R206 IonicContact OE1-NE 2.69Å; E203-R206 PolarHBondContact OE1-NE 3.36Å; E203-R206 IonicContact OE1-NH1 3.59Å; E203-R206 IonicContact OE1-NH2 3.09Å; E203-R206 PolarHBondContact OE1-NH2 3.27Å; E203-R206 IonicContact OE2-CZ 2.72Å; E203-R206 IonicContact OE2-NE 2.68Å; E203-R206 PolarHBondContact OE2-NE 3.37Å; E203-R206 IonicContact OE2-NH2 3.33Å; E203-R206 PolarHBondContact OE2-NH2 2.87Å; K204-R206 VanDerWaalsContact C-N 3.3Å; K204-R206 PolarHBondContact O-N 3.04Å; R206-L209 PolarHBondContact O-N 3.29Å; R206-Q210 PolarHBondContact O-N 3.4Å
207L93.8Very high95.8Very high90 Ų90104.4 Ų104.447%0.47152%0.519SS..Hα-helixtrans-65.6-42.2177.7-73.6169000111.7E203 K204 L209 Q210 D211E203-L207 WeakPolarHBondContact O-CG 3.44Å; E203-L207 PolarHBondContact O-N 3.48Å; K204-L207 PolarHBondContact O-N 2.98Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 PolarHBondContact O-N 3.48Å; L207-Q210 PolarHBondContact O-N 2.94Å; L207-D211 PolarHBondContact O-N 3.45Å
208V95.9Very high95.7Very high91 Ų91106.8 Ų106.855%0.55252%0.523SS*.Hα-helixtrans-60.5-41.3175.3169.10000111.3K204 D205 S212K204-V208 WeakPolarHBondContact O-CG2 3.35Å; K204-V208 PolarHBondContact O-N 2.82Å; D205-V208 PolarHBondContact O-N 2.84Å; V208-S212 WeakPolarHBondContact O-CB 3.25Å; V208-S212 PolarHBondContact O-N 2.99Å
209L96.6Very high95.7Very high111 Ų111107.2 Ų107.258%0.58152%0.522SS*.Hα-helixtrans-62.9-49.2175.9-149.687.2000111.4D205 R206 L207 D211 S212 E213D205-L209 PolarHBondContact O-N 2.9Å; R206-L209 PolarHBondContact O-N 3.29Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 PolarHBondContact O-N 3.48Å; L209-D211 PolarHBondContact O-N 3.29Å; L209-S212 WeakPolarHBondContact O-CB 3.48Å; L209-S212 PolarHBondContact O-N 2.8Å; L209-E213 WeakPolarHBondContact O-CG 3.43Å; L209-E213 PolarHBondContact O-N 3.46Å
210Q95.9Very high95.7Very high86 Ų86106.7 Ų106.740%0.40252%0.52SS..Hα-helixtrans-63.4-39.5-178.7-179.2172.679.300112.7R206 L207 E213 R214R206-Q210 PolarHBondContact O-N 3.4Å; L207-Q210 PolarHBondContact O-N 2.94Å; Q210-E213 PolarHBondContact O-N 3.29Å; Q210-R214 VanDerWaalsContact O-CG 3.26Å; Q210-R214 WeakPolarHBondContact O-CG 3.41Å; Q210-R214 PolarHBondContact O-N 3.45Å; Q210-R214 VanDerWaalsContact OE1-CZ 3.3Å
211D91.5Very high95.8Very high78 Ų78106.5 Ų106.542%0.41752%0.517SS..Hα-helixtrans-72.9-31.1175.8-79.4-14.2000112.1L207 L209 R214 L215L207-D211 PolarHBondContact O-N 3.45Å; L209-D211 PolarHBondContact O-N 3.29Å; D211-R214 PolarHBondContact O-N 2.93Å; D211-R214 WeakPolarHBondContact OD1-CD 3.4Å; D211-R214 IonicContact OD1-CZ 2.89Å; D211-R214 IonicContact OD1-NH1 3.71Å; D211-R214 PolarHBondContact OD1-NH1 3.49Å; D211-L215 WeakPolarHBondContact O-CB 3.46Å; D211-L215 WeakPolarHBondContact O-CD1 3.36Å; D211-L215 WeakPolarHBondContact O-CG 3.49Å; D211-L215 PolarHBondContact O-N 3.24Å
212S94.8Very high95.7Very high70 Ų70104.6 Ų104.649%0.4951%0.512SS..Hα-helixtrans-62.4-45.6169.9-1710000111.9V208 L209 L215 Q216V208-S212 WeakPolarHBondContact O-CB 3.25Å; V208-S212 PolarHBondContact O-N 2.99Å; L209-S212 WeakPolarHBondContact O-CB 3.48Å; L209-S212 PolarHBondContact O-N 2.8Å; S212-L215 PolarHBondContact O-N 2.79Å; S212-Q216 WeakPolarHBondContact O-CB 3.48Å; S212-Q216 PolarHBondContact O-N 2.98Å
213E96.4Very high95.7Very high110 Ų110104.5 Ų104.551%0.51451%0.509SS..Hα-helixtrans-61.2-45.7175.4-71.2174.716800111.7L209 Q210 L215 Q216 V217L209-E213 WeakPolarHBondContact O-CG 3.43Å; L209-E213 PolarHBondContact O-N 3.46Å; Q210-E213 PolarHBondContact O-N 3.29Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.04Å; E213-Q216 PolarHBondContact O-N 3.15Å; E213-V217 WeakPolarHBondContact O-CG2 3.46Å; E213-V217 PolarHBondContact O-N 3.45Å
214R95.4Very high95.8Very high135 Ų135106.5 Ų106.551%0.50952%0.517SS..Hα-helixtrans-60-42.4175.8-74.5166.4173.4155.54.4112.5Q210 D211 R218Q210-R214 VanDerWaalsContact O-CG 3.26Å; Q210-R214 WeakPolarHBondContact O-CG 3.41Å; Q210-R214 PolarHBondContact O-N 3.45Å; Q210-R214 VanDerWaalsContact OE1-CZ 3.3Å; D211-R214 PolarHBondContact O-N 2.93Å; D211-R214 WeakPolarHBondContact OD1-CD 3.4Å; D211-R214 IonicContact OD1-CZ 2.89Å; D211-R214 IonicContact OD1-NH1 3.71Å; D211-R214 PolarHBondContact OD1-NH1 3.49Å; R214-R218 VanDerWaalsContact O-CB 3.28Å; R214-R218 WeakPolarHBondContact O-CB 3.25Å; R214-R218 PolarHBondContact O-N 3.01Å
215L95.2Very high95.9Very high123 Ų123104.5 Ų104.564%0.64451%0.51SS*.Hα-helixtrans-66.5-40.7176.8-74.5167.9000111.2D211 S212 E213 R218 S219D211-L215 WeakPolarHBondContact O-CB 3.46Å; D211-L215 WeakPolarHBondContact O-CD1 3.36Å; D211-L215 WeakPolarHBondContact O-CG 3.49Å; D211-L215 PolarHBondContact O-N 3.24Å; S212-L215 PolarHBondContact O-N 2.79Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.04Å; L215-R218 PolarHBondContact O-N 3.44Å; L215-S219 PolarHBondContact O-N 2.94Å
216Q97.1Very high95.9Very high114 Ų114106 Ų10653%0.53352%0.518SS..Hα-helixtrans-64.2-48.9177.5-175.5174.6-1.500112.1S212 E213 R218 S219 Q220S212-Q216 WeakPolarHBondContact O-CB 3.48Å; S212-Q216 PolarHBondContact O-N 2.98Å; E213-Q216 PolarHBondContact O-N 3.15Å; Q216-R218 VanDerWaalsContact C-N 3.28Å; Q216-R218 PolarHBondContact O-N 2.92Å; Q216-S219 WeakPolarHBondContact O-CB 3.45Å; Q216-S219 PolarHBondContact O-N 3.34Å; Q216-S219 VanDerWaalsContact O-N 3.14Å; Q216-Q220 WeakPolarHBondContact O-CG 3.32Å; Q216-Q220 PolarHBondContact O-N 3.12Å
217V96.8Very high96Very high96 Ų96105 Ų10558%0.58252%0.518SS*.Hα-helixtrans-59.6-40.7175.6171.80000110.9E213 Q220 E221E213-V217 WeakPolarHBondContact O-CG2 3.46Å; E213-V217 PolarHBondContact O-N 3.45Å; V217-Q220 PolarHBondContact O-N 2.95Å; V217-E221 PolarHBondContact O-N 3.03Å
218R95.2Very high96.2Very high182 Ų182103.1 Ų103.169%0.68751%0.512SS*.Hα-helixtrans-68.8-31.8176.9-170172.7-173.9157.35.5113.2R214 L215 Q216 L222R214-R218 VanDerWaalsContact O-CB 3.28Å; R214-R218 WeakPolarHBondContact O-CB 3.25Å; R214-R218 PolarHBondContact O-N 3.01Å; L215-R218 PolarHBondContact O-N 3.44Å; Q216-R218 VanDerWaalsContact C-N 3.28Å; Q216-R218 PolarHBondContact O-N 2.92Å; R218-L222 HydrophobicContact CG-CD1 4.37Å; R218-L222 VanDerWaalsContact O-CG 3.27Å; R218-L222 WeakPolarHBondContact O-CG 3.38Å; R218-L222 PolarHBondContact O-N 3.19Å; R218-L222 VanDerWaalsContact O-N 3.16Å
219S95.6Very high96.2Very high56 Ų56104.1 Ų104.139%0.39251%0.509SS..Hα-helixtrans-65.6-49.4172.4-159.50000110.5L215 Q216 E221 L222 E223L215-S219 PolarHBondContact O-N 2.94Å; Q216-S219 WeakPolarHBondContact O-CB 3.45Å; Q216-S219 PolarHBondContact O-N 3.34Å; Q216-S219 VanDerWaalsContact O-N 3.14Å; S219-E221 VanDerWaalsContact C-N 3.34Å; S219-E221 PolarHBondContact O-N 2.98Å; S219-L222 CarbonylContact O-C 3.59Å; S219-L222 PolarHBondContact O-N 3.25Å; S219-E223 VanDerWaalsContact C-OE1 3.31Å; S219-E223 WeakPolarHBondContact CB-OE1 3.3Å; S219-E223 WeakPolarHBondContact O-CB 3.4Å; S219-E223 VanDerWaalsContact O-CG 3.28Å; S219-E223 WeakPolarHBondContact O-CG 3.47Å; S219-E223 PolarHBondContact O-N 3.12Å; S219-E223 PolarHBondContact OG-OE1 2.97Å
220Q97.7Very high96.3Very high104 Ų104104.7 Ų104.749%0.48651%0.509SS..Hα-helixtrans-60.4-40179.4-70.2173.7-17.900112.9Q216 V217 E223 H224Q216-Q220 WeakPolarHBondContact O-CG 3.32Å; Q216-Q220 PolarHBondContact O-N 3.12Å; V217-Q220 PolarHBondContact O-N 2.95Å; Q220-E223 PolarHBondContact O-N 2.98Å; Q220-H224 WeakPolarHBondContact O-CB 3.39Å; Q220-H224 PolarHBondContact O-N 3.4Å
221E97.4Very high96.4Very high99 Ų99108.2 Ų108.246%0.46352%0.518SS..Hα-helixtrans-63.8-42.7173.4178.657.5-149.500111.8V217 S219 H224 Q225V217-E221 PolarHBondContact O-N 3.03Å; S219-E221 VanDerWaalsContact C-N 3.34Å; S219-E221 PolarHBondContact O-N 2.98Å; E221-H224 PolarHBondContact O-N 2.69Å; E221-Q225 WeakPolarHBondContact O-CB 3.49Å; E221-Q225 VanDerWaalsContact O-CG 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.31Å; E221-Q225 PolarHBondContact O-N 3.13Å; E221-Q225 PolarHBondContact OE1-NE2 3.08Å
222L95.1Very high96.7Very high88 Ų88108 Ų10846%0.46152%0.515SS..Hα-helixtrans-67.6-38.2176.3-72.7169.8000112.3R218 S219 Q225 L226R218-L222 HydrophobicContact CG-CD1 4.37Å; R218-L222 VanDerWaalsContact O-CG 3.27Å; R218-L222 WeakPolarHBondContact O-CG 3.38Å; R218-L222 PolarHBondContact O-N 3.19Å; R218-L222 VanDerWaalsContact O-N 3.16Å; S219-L222 CarbonylContact O-C 3.59Å; S219-L222 PolarHBondContact O-N 3.25Å; L222-Q225 PolarHBondContact O-N 3.33Å; L222-L226 WeakPolarHBondContact O-CB 3.03Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 2.98Å
223E96.8Very high96.7Very high106 Ų106110.2 Ų110.250%0.49552%0.52SS..Hα-helixtrans-62.4-43.1174.1-72.2156.4-138.600111.1S219 Q220 L226 F227S219-E223 VanDerWaalsContact C-OE1 3.31Å; S219-E223 WeakPolarHBondContact CB-OE1 3.3Å; S219-E223 WeakPolarHBondContact O-CB 3.4Å; S219-E223 VanDerWaalsContact O-CG 3.28Å; S219-E223 WeakPolarHBondContact O-CG 3.47Å; S219-E223 PolarHBondContact O-N 3.12Å; S219-E223 PolarHBondContact OG-OE1 2.97Å; Q220-E223 PolarHBondContact O-N 2.98Å; E223-L226 PolarHBondContact O-N 3.23Å; E223-F227 WeakPolarHBondContact O-CB 3.47Å; E223-F227 PolarHBondContact O-N 2.93Å
224H97.3Very high96.8Very high125 Ų125109.5 Ų109.558%0.57952%0.517SS*.Hα-helixtrans-66.5-40.8175.4-175.8-103.6000112.4Q220 E221 F227 S228Q220-H224 WeakPolarHBondContact O-CB 3.39Å; Q220-H224 PolarHBondContact O-N 3.4Å; E221-H224 PolarHBondContact O-N 2.69Å; H224-F227 PolarHBondContact O-N 3.2Å; H224-S228 PolarHBondContact O-N 3.42Å
225Q97.3Very high96.9Very high97 Ų97108.3 Ų108.345%0.45352%0.517SS..Hα-helixtrans-63.8-42.6173.8-73.3178.820.500112.1E221 L222 S228 K229E221-Q225 WeakPolarHBondContact O-CB 3.49Å; E221-Q225 VanDerWaalsContact O-CG 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.31Å; E221-Q225 PolarHBondContact O-N 3.13Å; E221-Q225 PolarHBondContact OE1-NE2 3.08Å; L222-Q225 PolarHBondContact O-N 3.33Å; Q225-S228 PolarHBondContact O-N 3.35Å; Q225-K229 WeakPolarHBondContact O-CG 3.29Å; Q225-K229 PolarHBondContact O-N 3.46Å
226L96.4Very high97Very high111 Ų111107.5 Ų107.558%0.58151%0.513SS*.Hα-helixtrans-60.4-49.5174.8-76.3169.7000111L222 E223 S228 K229 E230L222-L226 WeakPolarHBondContact O-CB 3.03Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 2.98Å; E223-L226 PolarHBondContact O-N 3.23Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 2.78Å; L226-K229 CarbonylContact O-C 3.54Å; L226-K229 WeakPolarHBondContact O-CA 3.49Å; L226-K229 PolarHBondContact O-N 2.97Å; L226-E230 WeakPolarHBondContact O-CG 3.45Å; L226-E230 PolarHBondContact O-N 3.1Å
227F98.3Very high97Very high133 Ų133107.8 Ų107.858%0.58351%0.513SS*.Hα-helixtrans-58.7-38.6177.2-179.2-105.7000112.8E223 H224 R231E223-F227 WeakPolarHBondContact O-CB 3.47Å; E223-F227 PolarHBondContact O-N 2.93Å; H224-F227 PolarHBondContact O-N 3.2Å; F227-R231 WeakPolarHBondContact O-CB 3.28Å; F227-R231 PolarHBondContact O-N 3.22Å
228S97.4Very high97.1Very high50 Ų50108.3 Ų108.335%0.3551%0.509SS..Hα-helixtrans-63-41.4172.5-168.50000112.1H224 Q225 L226 R231 E232H224-S228 PolarHBondContact O-N 3.42Å; Q225-S228 PolarHBondContact O-N 3.35Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 2.78Å; S228-R231 PolarHBondContact O-N 3.25Å; S228-E232 WeakPolarHBondContact O-CG 3.27Å; S228-E232 PolarHBondContact O-N 2.75Å
229K96.8Very high97.2Very high112 Ų112106 Ų10649%0.48750%0.504SS..Hα-helixtrans-73.9-33.9178.7-66.5-42.9-173.8-169.50113.6Q225 L226 R231 E232 L233Q225-K229 WeakPolarHBondContact O-CG 3.29Å; Q225-K229 PolarHBondContact O-N 3.46Å; L226-K229 CarbonylContact O-C 3.54Å; L226-K229 WeakPolarHBondContact O-CA 3.49Å; L226-K229 PolarHBondContact O-N 2.97Å; K229-R231 VanDerWaalsContact C-N 3.32Å; K229-E232 VanDerWaalsContact CD-CD 3.49Å; K229-E232 WeakPolarHBondContact CD-OE1 3.45Å; K229-E232 VanDerWaalsContact CD-OE2 3.3Å; K229-E232 WeakPolarHBondContact CD-OE2 3.11Å; K229-E232 IonicContact NZ-OE1 3.81Å; K229-E232 PolarHBondContact NZ-OE1 3.45Å; K229-E232 IonicContact NZ-OE2 2.82Å; K229-E232 PolarHBondContact NZ-OE2 2.76Å; K229-E232 PolarHBondContact O-N 3.32Å; K229-L233 WeakPolarHBondContact O-CB 3.4Å; K229-L233 VanDerWaalsContact O-CG 3.26Å; K229-L233 WeakPolarHBondContact O-CG 3.4Å; K229-L233 PolarHBondContact O-N 3.15Å
230E97.3Very high97.2Very high123 Ų123108 Ų10858%0.57551%0.507SS*.Hα-helixtrans-60.8-42.8169.3-71.5175.7165.400111L226 L233 E234L226-E230 WeakPolarHBondContact O-CG 3.45Å; L226-E230 PolarHBondContact O-N 3.1Å; E230-L233 PolarHBondContact O-N 2.85Å; E230-E234 PolarHBondContact O-N 2.91Å
231R98.1Very high97.2Very high160 Ų160109.1 Ų109.160%0.60451%0.51SS*.Hα-helixtrans-65.6-39.4175.6-172.7178.6179.5-166.7-0.7113.2F227 S228 K229 Q235F227-R231 WeakPolarHBondContact O-CB 3.28Å; F227-R231 PolarHBondContact O-N 3.22Å; S228-R231 PolarHBondContact O-N 3.25Å; K229-R231 VanDerWaalsContact C-N 3.32Å; R231-Q235 WeakPolarHBondContact O-CG 3.27Å; R231-Q235 PolarHBondContact O-N 3.26Å; R231-Q235 VanDerWaalsContact O-N 3.15Å
232E97.7Very high97.2Very high75 Ų75112.3 Ų112.335%0.3552%0.518SS..Hα-helixtrans-63.3-42.9172.9-75.1169.8-137.600111.7S228 K229 Q235 L236S228-E232 WeakPolarHBondContact O-CG 3.27Å; S228-E232 PolarHBondContact O-N 2.75Å; K229-E232 VanDerWaalsContact CD-CD 3.49Å; K229-E232 WeakPolarHBondContact CD-OE1 3.45Å; K229-E232 VanDerWaalsContact CD-OE2 3.3Å; K229-E232 WeakPolarHBondContact CD-OE2 3.11Å; K229-E232 IonicContact NZ-OE1 3.81Å; K229-E232 PolarHBondContact NZ-OE1 3.45Å; K229-E232 IonicContact NZ-OE2 2.82Å; K229-E232 PolarHBondContact NZ-OE2 2.76Å; K229-E232 PolarHBondContact O-N 3.32Å; E232-Q235 PolarHBondContact O-N 3.3Å; E232-L236 WeakPolarHBondContact O-CG 3.2Å; E232-L236 PolarHBondContact O-N 2.84Å
233L96.3Very high97.3Very high115 Ų115112.4 Ų112.460%0.60252%0.519SS*.Hα-helixtrans-64.3-42.6177.9-73.6169.8000112.2K229 E230 Q235 L236 F237K229-L233 WeakPolarHBondContact O-CB 3.4Å; K229-L233 VanDerWaalsContact O-CG 3.26Å; K229-L233 WeakPolarHBondContact O-CG 3.4Å; K229-L233 PolarHBondContact O-N 3.15Å; E230-L233 PolarHBondContact O-N 2.85Å; L233-Q235 VanDerWaalsContact C-N 3.34Å; L233-Q235 PolarHBondContact O-N 3.48Å; L233-L236 PolarHBondContact O-N 2.94Å; L233-F237 WeakPolarHBondContact O-CB 3.4Å; L233-F237 PolarHBondContact O-N 3.37Å
234E97.5Very high97.3Very high96 Ų96112.2 Ų112.245%0.44952%0.518SS..Hα-helixtrans-61.7-41.6175.4179.356.7-147.900111.5E230 L236 F237 Q238E230-E234 PolarHBondContact O-N 2.91Å; E234-L236 PolarHBondContact O-N 3.46Å; E234-F237 PolarHBondContact O-N 3.44Å; E234-Q238 WeakPolarHBondContact O-CG 3.16Å; E234-Q238 PolarHBondContact O-N 2.81Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.3Å; E234-Q238 PolarHBondContact OE1-NE2 2.81Å
235Q97.9Very high97.3Very high109 Ų109111.6 Ų111.651%0.50952%0.518SS..Hα-helixtrans-63.3-40.8174.4-73.4177.3-8.400112.5R231 E232 L233 K239R231-Q235 WeakPolarHBondContact O-CG 3.27Å; R231-Q235 PolarHBondContact O-N 3.26Å; R231-Q235 VanDerWaalsContact O-N 3.15Å; E232-Q235 PolarHBondContact O-N 3.3Å; L233-Q235 VanDerWaalsContact C-N 3.34Å; L233-Q235 PolarHBondContact O-N 3.48Å; Q235-K239 WeakPolarHBondContact O-CB 3.37Å; Q235-K239 PolarHBondContact O-N 3.38Å
236L96.8Very high97.4Very high107 Ų107111.3 Ų111.356%0.5652%0.517SS*.Hα-helixtrans-66.1-40175.3-72172.4000111.8E232 L233 E234 K239 Q240E232-L236 WeakPolarHBondContact O-CG 3.2Å; E232-L236 PolarHBondContact O-N 2.84Å; L233-L236 PolarHBondContact O-N 2.94Å; E234-L236 PolarHBondContact O-N 3.46Å; L236-K239 PolarHBondContact O-N 3.49Å; L236-Q240 WeakPolarHBondContact O-CB 3.48Å; L236-Q240 PolarHBondContact O-N 3.32Å
237F97.6Very high97.3Very high120 Ų120110.1 Ų110.153%0.52652%0.517SS..Hα-helixtrans-65.5-42.4177.3-170.4-109.9000112L233 E234 K239 Q240 K241L233-F237 WeakPolarHBondContact O-CB 3.4Å; L233-F237 PolarHBondContact O-N 3.37Å; E234-F237 PolarHBondContact O-N 3.44Å; F237-K239 VanDerWaalsContact C-N 3.32Å; F237-K239 PolarHBondContact O-N 3.4Å; F237-Q240 PolarHBondContact O-N 2.54Å; F237-K241 WeakPolarHBondContact O-CB 3.47Å; F237-K241 PolarHBondContact O-N 3.31Å
238Q97.8Very high97.2Very high106 Ų106110.7 Ų110.750%0.49552%0.521SS..Hα-helixtrans-63.1-36.5172.6-69.8177.418.600112.5E234 R242E234-Q238 WeakPolarHBondContact O-CG 3.16Å; E234-Q238 PolarHBondContact O-N 2.81Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.3Å; E234-Q238 PolarHBondContact OE1-NE2 2.81Å; Q238-R242 PolarHBondContact O-N 2.91Å
239K97.8Very high97.2Very high133 Ų133114.2 Ų114.258%0.57853%0.532SS*.Hα-helixtrans-68.6-44.1174.3-172.8179.4179.9-178.60111.8Q235 L236 F237 R242 L243Q235-K239 WeakPolarHBondContact O-CB 3.37Å; Q235-K239 PolarHBondContact O-N 3.38Å; L236-K239 PolarHBondContact O-N 3.49Å; F237-K239 VanDerWaalsContact C-N 3.32Å; F237-K239 PolarHBondContact O-N 3.4Å; K239-R242 PolarHBondContact O-N 3.33Å; K239-L243 HydrophobicContact CG-CD1 4.26Å; K239-L243 WeakPolarHBondContact O-CG 3.4Å; K239-L243 PolarHBondContact O-N 3.25Å
240Q96.5Very high97.1Very high99 Ų99113.9 Ų113.946%0.46354%0.535SS..Hα-helixtrans-57-52.5174.7174.6178.8-16.300110.5L236 F237 R242 L243 E244L236-Q240 WeakPolarHBondContact O-CB 3.48Å; L236-Q240 PolarHBondContact O-N 3.32Å; F237-Q240 PolarHBondContact O-N 2.54Å; Q240-R242 PolarHBondContact O-N 3.36Å; Q240-L243 PolarHBondContact O-N 2.88Å; Q240-E244 HydrophobicContact CG-CG 4.25Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.34Å; Q240-E244 PolarHBondContact NE2-OE1 3.39Å; Q240-E244 WeakPolarHBondContact O-CG 3.47Å; Q240-E244 PolarHBondContact O-N 3.19Å
241K97.9Very high97Very high127 Ų127112.5 Ų112.555%0.55253%0.531SS*.Hα-helixtrans-57.9-34.1179.5-173.2174.9-178.6178.20113.2F237 L245F237-K241 WeakPolarHBondContact O-CB 3.47Å; F237-K241 PolarHBondContact O-N 3.31Å; K241-L245 WeakPolarHBondContact O-CG 3.46Å; K241-L245 PolarHBondContact O-N 3.42Å
242R97.5Very high96.9Very high167 Ų167107.6 Ų107.663%0.6352%0.521SS*.Hα-helixtrans-68.6-44.4173.8-171-179-59.8162.24.5111.9Q238 K239 Q240 L245 Q246Q238-R242 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-N 3.33Å; Q240-R242 PolarHBondContact O-N 3.36Å; R242-L245 PolarHBondContact O-N 2.96Å; R242-Q246 WeakPolarHBondContact O-CG 3.43Å; R242-Q246 PolarHBondContact O-N 2.91Å
243L96.9Very high96.9Very high90 Ų90109 Ų10947%0.47153%0.528SS..Hα-helixtrans-65.5-38.4177.4-68.9167.9000111.8K239 Q240 L245 Q246 C247K239-L243 HydrophobicContact CG-CD1 4.26Å; K239-L243 WeakPolarHBondContact O-CG 3.4Å; K239-L243 PolarHBondContact O-N 3.25Å; Q240-L243 PolarHBondContact O-N 2.88Å; L243-L245 PolarHBondContact O-N 3.42Å; L243-Q246 PolarHBondContact O-N 3.44Å; L243-C247 WeakPolarHBondContact O-CB 3.4Å; L243-C247 PolarHBondContact O-N 2.94Å; L243-C247 PolarHBondContact O-SG 2.91Å
244E96.8Very high96.8Very high102 Ų102112.2 Ų112.248%0.47753%0.532SS..Hα-helixtrans-60.8-42.9174.7-73.3170.8170.200112Q240 C247 H248Q240-E244 HydrophobicContact CG-CG 4.25Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.34Å; Q240-E244 PolarHBondContact NE2-OE1 3.39Å; Q240-E244 WeakPolarHBondContact O-CG 3.47Å; Q240-E244 PolarHBondContact O-N 3.19Å; E244-C247 PolarHBondContact O-N 3.02Å; E244-H248 WeakPolarHBondContact O-CB 3.44Å; E244-H248 PolarHBondContact O-N 3.32Å
245L97.6Very high96.7Very high112 Ų112113 Ų11359%0.58654%0.536SS*.Hα-helixtrans-63-46.8174-72.1167.7000111.7K241 R242 L243 C247 H248 E249K241-L245 WeakPolarHBondContact O-CG 3.46Å; K241-L245 PolarHBondContact O-N 3.42Å; R242-L245 PolarHBondContact O-N 2.96Å; L243-L245 PolarHBondContact O-N 3.42Å; L245-C247 VanDerWaalsContact C-N 3.34Å; L245-C247 PolarHBondContact O-N 3.3Å; L245-H248 WeakPolarHBondContact O-CB 3.49Å; L245-H248 PolarHBondContact O-N 3.45Å; L245-H248 VanDerWaalsContact O-N 3.1Å; L245-E249 WeakPolarHBondContact O-CB 3.48Å; L245-E249 PolarHBondContact O-N 3.41Å
246Q97.7Very high96.6Very high91 Ų91113.7 Ų113.743%0.42554%0.539SS..Hα-helixtrans-62.5-39.3177.5-69.9178.9-59.300112.4R242 L243 H248 E249 L250R242-Q246 WeakPolarHBondContact O-CG 3.43Å; R242-Q246 PolarHBondContact O-N 2.91Å; L243-Q246 PolarHBondContact O-N 3.44Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.25Å; Q246-E249 PolarHBondContact O-N 3.41Å; Q246-L250 WeakPolarHBondContact O-CB 3.13Å; Q246-L250 VanDerWaalsContact O-CG 3.27Å; Q246-L250 WeakPolarHBondContact O-CG 3.42Å; Q246-L250 PolarHBondContact O-N 2.89Å
247C94.6Very high96.5Very high85 Ų85111.5 Ų111.557%0.57453%0.533SS*.Hα-helixtrans-66-31.8173.7-73.80000112.7L243 E244 L245 N251L243-C247 WeakPolarHBondContact O-CB 3.4Å; L243-C247 PolarHBondContact O-N 2.94Å; L243-C247 PolarHBondContact O-SG 2.91Å; E244-C247 PolarHBondContact O-N 3.02Å; L245-C247 VanDerWaalsContact C-N 3.34Å; L245-C247 PolarHBondContact O-N 3.3Å; C247-N251 VanDerWaalsContact O-CB 3.25Å; C247-N251 WeakPolarHBondContact O-CB 3.37Å; C247-N251 PolarHBondContact O-N 2.88Å
248H96.7Very high96.5Very high146 Ų146111 Ų11168%0.67653%0.532SS*.Hα-helixtrans-72.8-44.4175.8-165.972.7000111.6E244 L245 Q246 N251 S252E244-H248 WeakPolarHBondContact O-CB 3.44Å; E244-H248 PolarHBondContact O-N 3.32Å; L245-H248 WeakPolarHBondContact O-CB 3.49Å; L245-H248 PolarHBondContact O-N 3.45Å; L245-H248 VanDerWaalsContact O-N 3.1Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.25Å; H248-N251 PolarHBondContact O-N 3.16Å; H248-S252 PolarHBondContact O-N 2.86Å
249E97Very high96.5Very high123 Ų123109 Ų10958%0.57553%0.526SS*.Hα-helixtrans-59.5-55.5177-172165.8-130.800111.4L245 Q246 N251 S252 E253L245-E249 WeakPolarHBondContact O-CB 3.48Å; L245-E249 PolarHBondContact O-N 3.41Å; Q246-E249 PolarHBondContact O-N 3.41Å; E249-N251 PolarHBondContact O-N 3.27Å; E249-N251 VanDerWaalsContact O-N 3.13Å; E249-S252 WeakPolarHBondContact O-CA 3.39Å; E249-S252 WeakPolarHBondContact O-CB 3.43Å; E249-S252 PolarHBondContact O-N 3.02Å; E249-E253 PolarHBondContact O-N 3.43Å
250L95.9Very high96.4Very high106 Ų106108.3 Ų108.356%0.55553%0.525SS*.Hα-helixtrans-57.3-29.5175.2-71.7168.5000113.1Q246 R254Q246-L250 WeakPolarHBondContact O-CB 3.13Å; Q246-L250 VanDerWaalsContact O-CG 3.27Å; Q246-L250 WeakPolarHBondContact O-CG 3.42Å; Q246-L250 PolarHBondContact O-N 2.89Å; L250-R254 WeakPolarHBondContact O-CB 3.47Å; L250-R254 PolarHBondContact O-N 3.39Å
251N94.8Very high96.3Very high93 Ų93108.6 Ų108.650%0.49753%0.53SS..Hα-helixtrans-79.2-28.7176.8-167.967.5000112.5C247 H248 E249 Q255C247-N251 VanDerWaalsContact O-CB 3.25Å; C247-N251 WeakPolarHBondContact O-CB 3.37Å; C247-N251 PolarHBondContact O-N 2.88Å; H248-N251 PolarHBondContact O-N 3.16Å; E249-N251 PolarHBondContact O-N 3.27Å; E249-N251 VanDerWaalsContact O-N 3.13Å; N251-Q255 WeakPolarHBondContact O-CB 3.28Å; N251-Q255 PolarHBondContact O-N 3.36Å; N251-Q255 VanDerWaalsContact O-N 3.1Å
252S96.6Very high96.3Very high57 Ų57106 Ų10640%0.39953%0.525SS..Hα-helixtrans-67.8-52168.5-159.20000110.6H248 E249 R254 Q255 E256H248-S252 PolarHBondContact O-N 2.86Å; E249-S252 WeakPolarHBondContact O-CA 3.39Å; E249-S252 WeakPolarHBondContact O-CB 3.43Å; E249-S252 PolarHBondContact O-N 3.02Å; S252-R254 VanDerWaalsContact C-N 3.26Å; S252-R254 PolarHBondContact O-N 3.09Å; S252-Q255 WeakPolarHBondContact O-CA 3.49Å; S252-Q255 WeakPolarHBondContact O-CB 3.49Å; S252-Q255 PolarHBondContact O-N 2.68Å; S252-E256 WeakPolarHBondContact O-CG 3.42Å; S252-E256 PolarHBondContact O-N 2.82Å; S252-E256 PolarHBondContact OG-OE1 2.72Å
253E96.3Very high96.2Very high104 Ų104104.4 Ų104.449%0.48652%0.522SS..Hα-helixtrans-54.2-43177.1-67.4-177.9154.300111.8E249 S257E249-E253 PolarHBondContact O-N 3.43Å; E253-S257 VanDerWaalsContact O-CB 3.24Å; E253-S257 WeakPolarHBondContact O-CB 3.4Å; E253-S257 PolarHBondContact O-N 3.16Å; E253-S257 PolarHBondContact O-OG 3.21Å
254R95.8Very high96.2Very high184 Ų184104.9 Ų104.969%0.69453%0.525SS*.Hα-helixtrans-63.9-40.6175.3-177.7-178.8178.4-161-1.2112.6L250 S252 H258L250-R254 WeakPolarHBondContact O-CB 3.47Å; L250-R254 PolarHBondContact O-N 3.39Å; S252-R254 VanDerWaalsContact C-N 3.26Å; S252-R254 PolarHBondContact O-N 3.09Å; R254-H258 WeakPolarHBondContact O-CB 3.44Å; R254-H258 PolarHBondContact O-N 3.48Å
255Q95.1Very high96.2Very high113 Ų113106.3 Ų106.353%0.52853%0.53SS..Hα-helixtrans-70.5-39.3179.3-176.36315.900111.6N251 S252 H258 V259N251-Q255 WeakPolarHBondContact O-CB 3.28Å; N251-Q255 PolarHBondContact O-N 3.36Å; N251-Q255 VanDerWaalsContact O-N 3.1Å; S252-Q255 WeakPolarHBondContact O-CA 3.49Å; S252-Q255 WeakPolarHBondContact O-CB 3.49Å; S252-Q255 PolarHBondContact O-N 2.68Å; Q255-H258 PolarHBondContact O-N 2.9Å; Q255-V259 WeakPolarHBondContact O-CG2 3.4Å; Q255-V259 PolarHBondContact O-N 2.67Å
256E96.2Very high96.1Very high122 Ų122103.9 Ų103.957%0.5752%0.519SS*.Hα-helixtrans-63.8-48.5173.7-70.8167.5-129.600110.8S252 H258 V259 E260S252-E256 WeakPolarHBondContact O-CG 3.42Å; S252-E256 PolarHBondContact O-N 2.82Å; S252-E256 PolarHBondContact OG-OE1 2.72Å; E256-H258 VanDerWaalsContact C-N 3.28Å; E256-H258 PolarHBondContact O-N 2.95Å; E256-V259 PolarHBondContact O-N 2.82Å; E256-V259 VanDerWaalsContact O-N 3.11Å; E256-E260 PolarHBondContact O-N 3.46Å
257S94.7Very high96Very high61 Ų61102.4 Ų102.443%0.42752%0.517SS..Hα-helixtrans-57.5-38.7173.8-60.20000112.4E253 N261E253-S257 VanDerWaalsContact O-CB 3.24Å; E253-S257 WeakPolarHBondContact O-CB 3.4Å; E253-S257 PolarHBondContact O-N 3.16Å; E253-S257 PolarHBondContact O-OG 3.21Å; S257-N261 WeakPolarHBondContact O-CB 3.3Å; S257-N261 PolarHBondContact O-N 2.99Å; S257-N261 PolarHBondContact O-ND2 3.2Å
258H96.5Very high96.1Very high111 Ų111103.2 Ų103.251%0.51452%0.515SS..Hα-helixtrans-66.1-45175.2177.8-87.3000111.7R254 Q255 E256 E260 N261 V262R254-H258 WeakPolarHBondContact O-CB 3.44Å; R254-H258 PolarHBondContact O-N 3.48Å; Q255-H258 PolarHBondContact O-N 2.9Å; E256-H258 VanDerWaalsContact C-N 3.28Å; E256-H258 PolarHBondContact O-N 2.95Å; H258-E260 VanDerWaalsContact C-N 3.32Å; H258-E260 PolarHBondContact O-N 2.85Å; H258-N261 PolarHBondContact O-N 2.55Å; H258-V262 WeakPolarHBondContact O-CG2 3.48Å; H258-V262 PolarHBondContact O-N 2.85Å
259V96.9Very high96Very high62 Ų62100.1 Ų100.138%0.37650%0.501SS..Hα-helixtrans-62.6-37.8176.4168.20000111.5Q255 E256 K263Q255-V259 WeakPolarHBondContact O-CG2 3.4Å; Q255-V259 PolarHBondContact O-N 2.67Å; E256-V259 PolarHBondContact O-N 2.82Å; E256-V259 VanDerWaalsContact O-N 3.11Å; V259-K263 HydrophobicContact CG1-CD 4.49Å; V259-K263 WeakPolarHBondContact O-CG 3.31Å; V259-K263 PolarHBondContact O-N 3.12Å; V259-K263 VanDerWaalsContact O-N 3.15Å
260E95.7Very high96Very high119 Ų11999.4 Ų99.456%0.55650%0.498SS*.Hα-helixtrans-66.9-45.5173.5-174.6168.4-148.100112.3E256 H258 V262 K263 L264E256-E260 PolarHBondContact O-N 3.46Å; H258-E260 VanDerWaalsContact C-N 3.32Å; H258-E260 PolarHBondContact O-N 2.85Å; E260-V262 VanDerWaalsContact C-N 3.28Å; E260-V262 PolarHBondContact O-N 2.88Å; E260-K263 WeakPolarHBondContact O-CB 3.22Å; E260-K263 PolarHBondContact O-N 3.41Å; E260-K263 VanDerWaalsContact O-N 3.09Å; E260-L264 HydrophobicContact CG-CD1 4.03Å; E260-L264 HydrophobicContact CG-CG 4.34Å; E260-L264 WeakPolarHBondContact O-CG 3.27Å; E260-L264 PolarHBondContact O-N 3.4Å
261N95.6Very high96Very high106 Ų106100 Ų10057%0.56750%0.501SS*.Hα-helixtrans-59.4-37.8175.9-87.5-94.3000112.4S257 H258 L264 K265S257-N261 WeakPolarHBondContact O-CB 3.3Å; S257-N261 PolarHBondContact O-N 2.99Å; S257-N261 PolarHBondContact O-ND2 3.2Å; H258-N261 PolarHBondContact O-N 2.55Å; N261-L264 PolarHBondContact O-N 3.03Å; N261-K265 WeakPolarHBondContact O-CB 3.34Å; N261-K265 PolarHBondContact O-N 3.31Å
262V96.7Very high96.1Very high73 Ų7398 Ų9844%0.44249%0.494SS..Hα-helixtrans-63.6-44.7173.5170.90000111.2H258 E260 K265 T266H258-V262 WeakPolarHBondContact O-CG2 3.48Å; H258-V262 PolarHBondContact O-N 2.85Å; E260-V262 VanDerWaalsContact C-N 3.28Å; E260-V262 PolarHBondContact O-N 2.88Å; V262-K265 PolarHBondContact O-N 2.93Å; V262-T266 PolarHBondContact O-N 2.69Å; V262-T266 PolarHBondContact O-OG1 3.02Å
263K96.8Very high96.1Very high132 Ų132102.2 Ų102.257%0.57450%0.501SS*.Hα-helixtrans-60.9-46.1176.3-69.8166.9-176.2171.10112V259 E260 K265 T266 T267V259-K263 HydrophobicContact CG1-CD 4.49Å; V259-K263 WeakPolarHBondContact O-CG 3.31Å; V259-K263 PolarHBondContact O-N 3.12Å; V259-K263 VanDerWaalsContact O-N 3.15Å; E260-K263 WeakPolarHBondContact O-CB 3.22Å; E260-K263 PolarHBondContact O-N 3.41Å; E260-K263 VanDerWaalsContact O-N 3.09Å; K263-K265 VanDerWaalsContact C-N 3.29Å; K263-K265 PolarHBondContact O-N 2.92Å; K263-T266 WeakPolarHBondContact CA-OG1 3.49Å; K263-T266 PolarHBondContact O-N 2.89Å; K263-T266 PolarHBondContact O-OG1 2.93Å; K263-T267 PolarHBondContact O-N 3.2Å; K263-T267 PolarHBondContact O-OG1 3.03Å
264L95.9Very high96.1Very high101 Ų10199.8 Ų99.853%0.52950%0.499SS..Hα-helixtrans-63.3-35177.2-69.7172.3000111.9E260 N261 T267 N268E260-L264 HydrophobicContact CG-CD1 4.03Å; E260-L264 HydrophobicContact CG-CG 4.34Å; E260-L264 WeakPolarHBondContact O-CG 3.27Å; E260-L264 PolarHBondContact O-N 3.4Å; N261-L264 PolarHBondContact O-N 3.03Å; L264-T267 PolarHBondContact O-OG1 3Å; L264-N268 VanDerWaalsContact O-CB 3.25Å; L264-N268 WeakPolarHBondContact O-CB 3.38Å; L264-N268 PolarHBondContact O-N 3.12Å
265K96.4Very high96.2Very high131 Ų13196.9 Ų96.957%0.5750%0.497SS*.Hα-helixtrans-66.2-47.5172.9-172.5172.4-174.6-800111.5N261 V262 K263 T267 N268 E269N261-K265 WeakPolarHBondContact O-CB 3.34Å; N261-K265 PolarHBondContact O-N 3.31Å; V262-K265 PolarHBondContact O-N 2.93Å; K263-K265 VanDerWaalsContact C-N 3.29Å; K263-K265 PolarHBondContact O-N 2.92Å; K265-T267 PolarHBondContact O-N 2.97Å; K265-N268 PolarHBondContact O-N 3.24Å; K265-E269 WeakPolarHBondContact CE-OE1 3.47Å; K265-E269 WeakPolarHBondContact CG-OE1 3.2Å; K265-E269 IonicContact NZ-OE1 3.71Å; K265-E269 PolarHBondContact NZ-OE1 3.48Å; K265-E269 WeakPolarHBondContact O-CG 3.32Å; K265-E269 PolarHBondContact O-N 2.93Å
266T96.2Very high96.2Very high61 Ų6197.8 Ų97.837%0.37450%0.501SS..Hα-helixtrans-63.4-40.517947.80000112.8V262 K263 E269 E270V262-T266 PolarHBondContact O-N 2.69Å; V262-T266 PolarHBondContact O-OG1 3.02Å; K263-T266 WeakPolarHBondContact CA-OG1 3.49Å; K263-T266 PolarHBondContact O-N 2.89Å; K263-T266 PolarHBondContact O-OG1 2.93Å; T266-E269 PolarHBondContact O-N 2.69Å; T266-E270 WeakPolarHBondContact O-CG 3.04Å; T266-E270 PolarHBondContact O-N 3.41Å
267T95.4Very high96.3Very high61 Ų6194.8 Ų94.837%0.37449%0.494SS..Hα-helixtrans-70.9-32.5176.954.70000112.2K263 L264 K265 E270 L271K263-T267 PolarHBondContact O-N 3.2Å; K263-T267 PolarHBondContact O-OG1 3.03Å; L264-T267 PolarHBondContact O-OG1 3Å; K265-T267 PolarHBondContact O-N 2.97Å; T267-E270 PolarHBondContact O-N 2.89Å; T267-L271 WeakPolarHBondContact O-CB 3.32Å; T267-L271 VanDerWaalsContact O-CG 3.26Å; T267-L271 WeakPolarHBondContact O-CG 3.33Å; T267-L271 PolarHBondContact O-N 2.77Å
268N96.1Very high96.3Very high101 Ų10195.5 Ų95.554%0.5450%0.495SS..Hα-helixtrans-67.7-37.7172.1-167.119.2000112.2L264 K265 L271 S272L264-N268 VanDerWaalsContact O-CB 3.25Å; L264-N268 WeakPolarHBondContact O-CB 3.38Å; L264-N268 PolarHBondContact O-N 3.12Å; K265-N268 PolarHBondContact O-N 3.24Å; N268-L271 PolarHBondContact O-N 2.98Å; N268-S272 WeakPolarHBondContact O-CB 3.28Å; N268-S272 PolarHBondContact O-N 2.71Å; N268-S272 PolarHBondContact O-OG 2.56Å
269E96.5Very high96.3Very high82 Ų8293.7 Ų93.738%0.38350%0.495SS..Hα-helixtrans-67.5-31.5172.2-72.8169.3-17700112.6K265 T266 R273K265-E269 WeakPolarHBondContact CE-OE1 3.47Å; K265-E269 WeakPolarHBondContact CG-OE1 3.2Å; K265-E269 IonicContact NZ-OE1 3.71Å; K265-E269 PolarHBondContact NZ-OE1 3.48Å; K265-E269 WeakPolarHBondContact O-CG 3.32Å; K265-E269 PolarHBondContact O-N 2.93Å; T266-E269 PolarHBondContact O-N 2.69Å; E269-R273 WeakPolarHBondContact O-CG 3.13Å; E269-R273 PolarHBondContact O-N 2.78Å; E269-R273 PolarHBondContact O-NE 3.19Å
270E96.4Very high96.3Very high107 Ų10796 Ų9650%0.551%0.505SS..Hα-helixtrans-69.6-46.8170.5-74170.916700111.9T266 T267 S272 R273 A274T266-E270 WeakPolarHBondContact O-CG 3.04Å; T266-E270 PolarHBondContact O-N 3.41Å; T267-E270 PolarHBondContact O-N 2.89Å; E270-S272 VanDerWaalsContact C-N 3.34Å; E270-S272 PolarHBondContact O-N 3.47Å; E270-R273 PolarHBondContact O-N 3.34Å; E270-A274 PolarHBondContact O-N 2.95Å
271L96.3Very high96.4Very high119 Ų11995.4 Ų95.462%0.62350%0.502SS*.Hα-helixtrans-64.7-37.4178.3-72.2169.8000112.2T267 N268 A274 L275T267-L271 WeakPolarHBondContact O-CB 3.32Å; T267-L271 VanDerWaalsContact O-CG 3.26Å; T267-L271 WeakPolarHBondContact O-CG 3.33Å; T267-L271 PolarHBondContact O-N 2.77Å; N268-L271 PolarHBondContact O-N 2.98Å; L271-A274 PolarHBondContact O-N 3.27Å; L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 PolarHBondContact O-N 2.97Å
272S96.6Very high96.4Very high50 Ų5095.1 Ų95.135%0.3550%0.5SS..Hα-helixtrans-63.3-46.1174-65.90000111.7N268 E270 A274 L275 E276N268-S272 WeakPolarHBondContact O-CB 3.28Å; N268-S272 PolarHBondContact O-N 2.71Å; N268-S272 PolarHBondContact O-OG 2.56Å; E270-S272 VanDerWaalsContact C-N 3.34Å; E270-S272 PolarHBondContact O-N 3.47Å; S272-A274 VanDerWaalsContact C-N 3.33Å; S272-A274 PolarHBondContact O-N 3.09Å; S272-L275 WeakPolarHBondContact O-CB 3.25Å; S272-L275 PolarHBondContact O-N 2.96Å; S272-E276 WeakPolarHBondContact O-CG 3.38Å; S272-E276 PolarHBondContact O-N 2.77Å
273R96.6Very high96.4Very high146 Ų14694 Ų9455%0.55150%0.496SS*.Hα-helixtrans-63-36.8175.2-76176.8-72.9136.6-10.8113E269 E270 E276 S277E269-R273 WeakPolarHBondContact O-CG 3.13Å; E269-R273 PolarHBondContact O-N 2.78Å; E269-R273 PolarHBondContact O-NE 3.19Å; E270-R273 PolarHBondContact O-N 3.34Å; R273-E276 PolarHBondContact O-N 3.5Å; R273-S277 PolarHBondContact O-N 2.94Å
274A96.1Very high96.4Very high53 Ų5391.5 Ų91.544%0.43849%0.488SS..Hα-helixtrans-67.6-37.7174.300000112.3E270 L271 S272 T278E270-A274 PolarHBondContact O-N 2.95Å; L271-A274 PolarHBondContact O-N 3.27Å; S272-A274 VanDerWaalsContact C-N 3.33Å; S272-A274 PolarHBondContact O-N 3.09Å; A274-T278 WeakPolarHBondContact O-CG2 3.39Å; A274-T278 PolarHBondContact O-N 3.11Å; A274-T278 PolarHBondContact O-OG1 3.36Å
275L96.8Very high96.3Very high123 Ų12389.2 Ų89.264%0.64448%0.484SS*.Hα-helixtrans-67-39.7174.1-175.663.6000111.7L271 S272 T278 S279L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 PolarHBondContact O-N 2.97Å; S272-L275 WeakPolarHBondContact O-CB 3.25Å; S272-L275 PolarHBondContact O-N 2.96Å; L275-T278 WeakPolarHBondContact CA-OG1 3.25Å; L275-T278 PolarHBondContact O-OG1 2.84Å; L275-S279 WeakPolarHBondContact O-CB 3.08Å; L275-S279 PolarHBondContact O-N 3.16Å
276E96.4Very high96.3Very high132 Ų13288.6 Ų88.662%0.61748%0.483SS*.Hα-helixtrans-63.5-46.4173.9-73.6170.6176.100111.8S272 R273 S279 L280S272-E276 WeakPolarHBondContact O-CG 3.38Å; S272-E276 PolarHBondContact O-N 2.77Å; R273-E276 PolarHBondContact O-N 3.5Å; E276-S279 PolarHBondContact O-N 3.27Å; E276-L280 WeakPolarHBondContact O-CB 3.45Å; E276-L280 PolarHBondContact O-N 3.31Å
277S96.9Very high96.3Very high60 Ų6091 Ų9142%0.4249%0.49SS..Hα-helixtrans-58.7-51.5175.8-167.50000111.6R273 S279 L280 E281R273-S277 PolarHBondContact O-N 2.94Å; S277-S279 VanDerWaalsContact C-N 3.31Å; S277-S279 PolarHBondContact O-N 2.98Å; S277-L280 PolarHBondContact O-N 2.71Å; S277-L280 VanDerWaalsContact O-N 3.14Å; S277-E281 WeakPolarHBondContact O-CG 3.34Å; S277-E281 PolarHBondContact O-N 2.72Å; S277-E281 PolarHBondContact OG-OE1 3.46Å
278T95.3Very high96.3Very high75 Ų7594 Ų9446%0.4650%0.5SS..Hα-helixtrans-67.7-29.5-179.150.90000113A274 L275 L282A274-T278 WeakPolarHBondContact O-CG2 3.39Å; A274-T278 PolarHBondContact O-N 3.11Å; A274-T278 PolarHBondContact O-OG1 3.36Å; L275-T278 WeakPolarHBondContact CA-OG1 3.25Å; L275-T278 PolarHBondContact O-OG1 2.84Å; T278-L282 VanDerWaalsContact O-CB 3.25Å; T278-L282 WeakPolarHBondContact O-CB 3.5Å; T278-L282 PolarHBondContact O-N 2.73Å
279S97.2Very high96.3Very high74 Ų7493.9 Ų93.952%0.51750%0.498SS..Hα-helixtrans-68.1-39.7170.7-172.30000112.3L275 E276 S277 L282 S283L275-S279 WeakPolarHBondContact O-CB 3.08Å; L275-S279 PolarHBondContact O-N 3.16Å; E276-S279 PolarHBondContact O-N 3.27Å; S277-S279 VanDerWaalsContact C-N 3.31Å; S277-S279 PolarHBondContact O-N 2.98Å; S279-L282 PolarHBondContact O-N 3.25Å; S279-S283 PolarHBondContact O-N 3.11Å
280L97.4Very high96.2Very high109 Ų10992.4 Ų92.457%0.57150%0.5SS*.Hα-helixtrans-70.4-42.3176.5-175.5139.4000111.9E276 S277 L282 S283 L284E276-L280 WeakPolarHBondContact O-CB 3.45Å; E276-L280 PolarHBondContact O-N 3.31Å; S277-L280 PolarHBondContact O-N 2.71Å; S277-L280 VanDerWaalsContact O-N 3.14Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 2.98Å; L280-S283 WeakPolarHBondContact O-CB 3.39Å; L280-S283 PolarHBondContact O-N 3.33Å; L280-L284 HydrophobicContact CD2-CD1 3.79Å; L280-L284 HydrophobicContact CD2-CG 4.49Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 3.38Å
281E96.7Very high96.2Very high107 Ų10791.7 Ų91.750%0.550%0.499SS..Hα-helixtrans-57.7-41.3170.6-71.2163.5-131.700111.5S277 L284 A285S277-E281 WeakPolarHBondContact O-CG 3.34Å; S277-E281 PolarHBondContact O-N 2.72Å; S277-E281 PolarHBondContact OG-OE1 3.46Å; E281-L284 PolarHBondContact O-N 3.28Å; E281-A285 WeakPolarHBondContact O-CB 3.28Å; E281-A285 PolarHBondContact O-N 3.38Å
282L95.8Very high96.1Very high101 Ų10191.2 Ų91.253%0.52950%0.497SS..Hα-helixtrans-65.9-39.6175.2-177.664.1000112.3T278 S279 L280 A285 Q286T278-L282 VanDerWaalsContact O-CB 3.25Å; T278-L282 WeakPolarHBondContact O-CB 3.5Å; T278-L282 PolarHBondContact O-N 2.73Å; S279-L282 PolarHBondContact O-N 3.25Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 2.98Å; L282-A285 PolarHBondContact O-N 3.43Å; L282-Q286 VanDerWaalsContact O-CG 3.29Å; L282-Q286 WeakPolarHBondContact O-CG 3.45Å; L282-Q286 PolarHBondContact O-N 2.89Å
283S96.6Very high96Very high50 Ų5094.9 Ų94.935%0.3551%0.508SS..Hα-helixtrans-61-48.8174.6-165.80000111.2S279 L280 A285 Q286 E287S279-S283 PolarHBondContact O-N 3.11Å; L280-S283 WeakPolarHBondContact O-CB 3.39Å; L280-S283 PolarHBondContact O-N 3.33Å; S283-A285 VanDerWaalsContact C-N 3.3Å; S283-A285 PolarHBondContact O-N 3Å; S283-Q286 WeakPolarHBondContact O-CB 3.48Å; S283-Q286 PolarHBondContact O-N 3.48Å; S283-Q286 VanDerWaalsContact O-N 3.09Å; S283-E287 WeakPolarHBondContact O-CG 3.4Å; S283-E287 PolarHBondContact O-N 2.75Å; S283-E287 PolarHBondContact OG-OE1 3.24Å
284L97.1Very high95.9Very high78 Ų7892.2 Ų92.241%0.40850%0.502SS..Hα-helixtrans-61.4-38.3177.1-67171.6000111.9L280 E281 E287 H288L280-L284 HydrophobicContact CD2-CD1 3.79Å; L280-L284 HydrophobicContact CD2-CG 4.49Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 3.38Å; E281-L284 PolarHBondContact O-N 3.28Å; L284-E287 PolarHBondContact O-N 3.12Å; L284-H288 WeakPolarHBondContact O-CB 3.47Å; L284-H288 VanDerWaalsContact O-CG 3.25Å; L284-H288 PolarHBondContact O-N 2.65Å; L284-H288 PolarHBondContact O-ND1 2.64Å
285A94.3Very high95.9Very high54 Ų5494.1 Ų94.145%0.44650%0.502SS..Hα-helixtrans-66-37173.900000112.7E281 L282 S283 L289E281-A285 WeakPolarHBondContact O-CB 3.28Å; E281-A285 PolarHBondContact O-N 3.38Å; L282-A285 PolarHBondContact O-N 3.43Å; S283-A285 VanDerWaalsContact C-N 3.3Å; S283-A285 PolarHBondContact O-N 3Å; A285-L289 VanDerWaalsContact O-CB 3.29Å; A285-L289 WeakPolarHBondContact O-CB 3.3Å; A285-L289 PolarHBondContact O-N 3.38Å
286Q95.4Very high95.7Very high118 Ų11891 Ų9155%0.55150%0.495SS*.Hα-helixtrans-67.8-42.1174.1-73173.915.800111.8L282 S283 L289 A290L282-Q286 VanDerWaalsContact O-CG 3.29Å; L282-Q286 WeakPolarHBondContact O-CG 3.45Å; L282-Q286 PolarHBondContact O-N 2.89Å; S283-Q286 WeakPolarHBondContact O-CB 3.48Å; S283-Q286 PolarHBondContact O-N 3.48Å; S283-Q286 VanDerWaalsContact O-N 3.09Å; Q286-L289 PolarHBondContact O-N 3.47Å; Q286-A290 WeakPolarHBondContact O-CB 3.37Å; Q286-A290 PolarHBondContact O-N 2.98Å
287E96.1Very high95.6Very high112 Ų11287.5 Ų87.552%0.52349%0.488SS..Hα-helixtrans-62.3-46.2175.2-73.1169.5-141.600111.9S283 L284 L289 A290 L291S283-E287 WeakPolarHBondContact O-CG 3.4Å; S283-E287 PolarHBondContact O-N 2.75Å; S283-E287 PolarHBondContact OG-OE1 3.24Å; L284-E287 PolarHBondContact O-N 3.12Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 2.89Å; E287-A290 PolarHBondContact O-N 3.43Å; E287-L291 PolarHBondContact O-N 3.27Å
288H95.7Very high95.5Very high124 Ų12491.1 Ų91.157%0.57449%0.492SS*.Hα-helixtrans-60.3-40.2173.4-70.5161000112.4L284 L291 L292L284-H288 WeakPolarHBondContact O-CB 3.47Å; L284-H288 VanDerWaalsContact O-CG 3.25Å; L284-H288 PolarHBondContact O-N 2.65Å; L284-H288 PolarHBondContact O-ND1 2.64Å; H288-L291 PolarHBondContact O-N 2.94Å; H288-L292 WeakPolarHBondContact O-CG 3.23Å; H288-L292 PolarHBondContact O-N 3.28Å
289L95.5Very high95.4Very high97 Ų9791.8 Ų91.851%0.50849%0.493SS..Hα-helixtrans-68.4-38.6177.9-172.9148.3000111.7A285 Q286 E287 L292 Q293A285-L289 VanDerWaalsContact O-CB 3.29Å; A285-L289 WeakPolarHBondContact O-CB 3.3Å; A285-L289 PolarHBondContact O-N 3.38Å; Q286-L289 PolarHBondContact O-N 3.47Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 2.89Å; L289-L292 PolarHBondContact O-N 2.97Å; L289-Q293 HydrophobicContact CD2-CG 4.17Å; L289-Q293 WeakPolarHBondContact O-CG 3.43Å; L289-Q293 PolarHBondContact O-N 3.34Å
290A95.5Very high95.1Very high51 Ų5193.9 Ų93.942%0.42149%0.494SS..Hα-helixtrans-63.9-42.4173.500000111.9Q286 E287 L292 Q293 E294Q286-A290 WeakPolarHBondContact O-CB 3.37Å; Q286-A290 PolarHBondContact O-N 2.98Å; E287-A290 PolarHBondContact O-N 3.43Å; A290-L292 VanDerWaalsContact C-N 3.35Å; A290-L292 PolarHBondContact O-N 2.98Å; A290-Q293 PolarHBondContact O-N 3.04Å; A290-E294 PolarHBondContact O-N 3.19Å
291L96.3Very high95Very high93 Ų9394.7 Ų94.749%0.48750%0.495SS..Hα-helixtrans-59.9-43.8174.2-171.379.5000111.6E287 H288 E294 Q295E287-L291 PolarHBondContact O-N 3.27Å; H288-L291 PolarHBondContact O-N 2.94Å; L291-E294 PolarHBondContact O-N 3.22Å; L291-Q295 VanDerWaalsContact O-CG 3.32Å; L291-Q295 WeakPolarHBondContact O-CG 2.91Å; L291-Q295 PolarHBondContact O-N 2.85Å
292L93.8Very high94.8Very high109 Ų10995.1 Ų95.157%0.57150%0.497SS*.Hα-helixtrans-67.3-36.5176.9-72.2170.7000112.4H288 L289 A290 A296H288-L292 WeakPolarHBondContact O-CG 3.23Å; H288-L292 PolarHBondContact O-N 3.28Å; L289-L292 PolarHBondContact O-N 2.97Å; A290-L292 VanDerWaalsContact C-N 3.35Å; A290-L292 PolarHBondContact O-N 2.98Å; L292-A296 WeakPolarHBondContact O-CB 3.29Å; L292-A296 PolarHBondContact O-N 3.3Å
293Q94.8Very high94.6Very high126 Ų12696.5 Ų96.559%0.58950%0.499SS*.Hα-helixtrans-63.8-42171.8-76.8179.7-13.600111.7L289 A290 A296 A297L289-Q293 HydrophobicContact CD2-CG 4.17Å; L289-Q293 WeakPolarHBondContact O-CG 3.43Å; L289-Q293 PolarHBondContact O-N 3.34Å; A290-Q293 PolarHBondContact O-N 3.04Å; Q293-A296 PolarHBondContact O-N 3.11Å; Q293-A297 WeakPolarHBondContact O-CB 3.37Å; Q293-A297 PolarHBondContact O-N 2.91Å
294E95.3Very high94.3Very high91 Ų9199.6 Ų99.643%0.42551%0.508SS..Hα-helixtrans-65.9-43.6176.7-154.6-152.7160.400111.6A290 L291 A296 A297 R298A290-E294 PolarHBondContact O-N 3.19Å; L291-E294 PolarHBondContact O-N 3.22Å; E294-A296 VanDerWaalsContact C-N 3.33Å; E294-A296 PolarHBondContact O-N 3.16Å; E294-A297 PolarHBondContact O-N 3.48Å; E294-R298 WeakPolarHBondContact O-CG 3.45Å; E294-R298 PolarHBondContact O-N 2.94Å; E294-R298 IonicContact OE1-CZ 2.62Å; E294-R298 IonicContact OE1-NE 2.7Å; E294-R298 PolarHBondContact OE1-NE 3.15Å; E294-R298 IonicContact OE1-NH2 3.6Å; E294-R298 PolarHBondContact OE1-NH2 3.02Å; E294-R298 IonicContact OE2-CZ 3.21Å; E294-R298 IonicContact OE2-NE 2.68Å; E294-R298 IonicContact OE2-NH2 3.98Å; E294-R298 PolarHBondContact OE2-NH2 3.19Å
295Q94.9Very high94Very high92 Ų92100.6 Ų100.643%0.4351%0.511SS..Hα-helixtrans-60-42.9174.1-72.3175.317.100111.7L291 R298 L299L291-Q295 VanDerWaalsContact O-CG 3.32Å; L291-Q295 WeakPolarHBondContact O-CG 2.91Å; L291-Q295 PolarHBondContact O-N 2.85Å; Q295-R298 PolarHBondContact O-N 3.06Å; Q295-L299 WeakPolarHBondContact O-CB 3.29Å; Q295-L299 VanDerWaalsContact O-CG 3.3Å; Q295-L299 WeakPolarHBondContact O-CG 3.05Å; Q295-L299 PolarHBondContact O-N 3.26Å
296A92.6Very high93.8Very high59 Ų59103.5 Ų103.549%0.48852%0.516SS..Hα-helixtrans-63.4-39.5175.400000112.3L292 Q293 E294 H300L292-A296 WeakPolarHBondContact O-CB 3.29Å; L292-A296 PolarHBondContact O-N 3.3Å; Q293-A296 PolarHBondContact O-N 3.11Å; E294-A296 VanDerWaalsContact C-N 3.33Å; E294-A296 PolarHBondContact O-N 3.16Å; A296-H300 WeakPolarHBondContact O-CB 2.99Å; A296-H300 PolarHBondContact O-N 2.82Å
297A94.2Very high93.4Very high58 Ų58104 Ų10448%0.47952%0.52SS..Hα-helixtrans-66.6-44.417600000112.3Q293 E294 H300 Q301Q293-A297 WeakPolarHBondContact O-CB 3.37Å; Q293-A297 PolarHBondContact O-N 2.91Å; E294-A297 PolarHBondContact O-N 3.48Å; A297-H300 WeakPolarHBondContact O-CB 3.25Å; A297-H300 PolarHBondContact O-N 3.01Å; A297-H300 VanDerWaalsContact O-N 3.15Å; A297-Q301 PolarHBondContact O-N 2.9Å
298R94.3Very high93.2Very high135 Ų135105.4 Ų105.451%0.50952%0.521SS..Hα-helixtrans-59.5-49174.2-69.2175.6-174.5-167.88.5111.2E294 Q295 H300 Q301 E302E294-R298 WeakPolarHBondContact O-CG 3.45Å; E294-R298 PolarHBondContact O-N 2.94Å; E294-R298 IonicContact OE1-CZ 2.62Å; E294-R298 IonicContact OE1-NE 2.7Å; E294-R298 PolarHBondContact OE1-NE 3.15Å; E294-R298 IonicContact OE1-NH2 3.6Å; E294-R298 PolarHBondContact OE1-NH2 3.02Å; E294-R298 IonicContact OE2-CZ 3.21Å; E294-R298 IonicContact OE2-NE 2.68Å; E294-R298 IonicContact OE2-NH2 3.98Å; E294-R298 PolarHBondContact OE2-NH2 3.19Å; Q295-R298 PolarHBondContact O-N 3.06Å; R298-H300 PolarHBondContact O-N 3.13Å; R298-Q301 PolarHBondContact O-N 3.09Å; R298-E302 WeakPolarHBondContact O-CG 3.08Å; R298-E302 PolarHBondContact O-N 3.28Å
299L93.9Very high93Very high90 Ų90107.5 Ų107.547%0.47152%0.524SS..Hα-helixtrans-63.9-23.4175.9-73.2169.4000113.4Q295 K303Q295-L299 WeakPolarHBondContact O-CB 3.29Å; Q295-L299 VanDerWaalsContact O-CG 3.3Å; Q295-L299 WeakPolarHBondContact O-CG 3.05Å; Q295-L299 PolarHBondContact O-N 3.26Å; L299-K303 VanDerWaalsContact O-CD 3.28Å; L299-K303 WeakPolarHBondContact O-CD 3.5Å; L299-K303 VanDerWaalsContact O-CG 3.25Å; L299-K303 WeakPolarHBondContact O-CG 3.46Å; L299-K303 PolarHBondContact O-N 2.85Å
300H92.1Very high92.8Very high117 Ų117108.4 Ų108.454%0.54253%0.528SS..Hα-helixtrans-76.2-49.1172.2-167.650.5000110.6A296 A297 R298 E302 K303 E304A296-H300 WeakPolarHBondContact O-CB 2.99Å; A296-H300 PolarHBondContact O-N 2.82Å; A297-H300 WeakPolarHBondContact O-CB 3.25Å; A297-H300 PolarHBondContact O-N 3.01Å; A297-H300 VanDerWaalsContact O-N 3.15Å; R298-H300 PolarHBondContact O-N 3.13Å; H300-E302 VanDerWaalsContact C-N 3.31Å; H300-E302 PolarHBondContact O-N 2.9Å; H300-K303 WeakPolarHBondContact O-CB 3.31Å; H300-K303 PolarHBondContact O-N 3.04Å; H300-K303 VanDerWaalsContact O-N 3.09Å; H300-E304 PolarHBondContact O-N 3.38Å
301Q94.1Very high92.6Very high126 Ų126109.5 Ų109.559%0.58953%0.53SS*.Hα-helixtrans-59.9-38.9177.1-170.5-17916.700112.4A297 R298 E304 M305A297-Q301 PolarHBondContact O-N 2.9Å; R298-Q301 PolarHBondContact O-N 3.09Å; Q301-E304 PolarHBondContact O-N 3.01Å; Q301-M305 WeakPolarHBondContact O-CB 3.47Å; Q301-M305 VanDerWaalsContact O-CG 3.28Å; Q301-M305 WeakPolarHBondContact O-CG 3.28Å; Q301-M305 PolarHBondContact O-N 3.09Å
302E92.5Very high92.3Very high116 Ų116108.5 Ų108.554%0.54252%0.522SS..Hα-helixtrans-60.1-45.9173.2-75.3175.8167.200111.5R298 H300 M305 E306R298-E302 WeakPolarHBondContact O-CG 3.08Å; R298-E302 PolarHBondContact O-N 3.28Å; H300-E302 VanDerWaalsContact C-N 3.31Å; H300-E302 PolarHBondContact O-N 2.9Å; E302-M305 PolarHBondContact O-N 3.49Å; E302-E306 WeakPolarHBondContact O-CG 3.45Å; E302-E306 PolarHBondContact O-N 2.96Å
303K91.1Very high92.2Very high131 Ų131104.4 Ų104.457%0.5751%0.507SS*.Hα-helixtrans-66-36.6176.7-71.1167.9-171.3169.40112.8L299 H300 E306 M307L299-K303 VanDerWaalsContact O-CD 3.28Å; L299-K303 WeakPolarHBondContact O-CD 3.5Å; L299-K303 VanDerWaalsContact O-CG 3.25Å; L299-K303 WeakPolarHBondContact O-CG 3.46Å; L299-K303 PolarHBondContact O-N 2.85Å; H300-K303 WeakPolarHBondContact O-CB 3.31Å; H300-K303 PolarHBondContact O-N 3.04Å; H300-K303 VanDerWaalsContact O-N 3.09Å; K303-E306 PolarHBondContact O-N 3.3Å; K303-M307 VanDerWaalsContact O-CB 3.23Å; K303-M307 WeakPolarHBondContact O-CB 3.42Å; K303-M307 PolarHBondContact O-N 2.61Å
304E90.8Very high92Very high115 Ų115103.6 Ų103.654%0.53751%0.506SS..Hα-helixtrans-64-41.4172.3-70.4-171.8127.900111.4H300 Q301 M307 Y308H300-E304 PolarHBondContact O-N 3.38Å; Q301-E304 PolarHBondContact O-N 3.01Å; E304-M307 PolarHBondContact O-N 3.3Å; E304-Y308 WeakPolarHBondContact O-CB 3.42Å; E304-Y308 PolarHBondContact O-N 3.01Å
305M90.1Very high91.7Very high98 Ų98103.5 Ų103.548%0.48351%0.506SS..Hα-helixtrans-69.3-35.9176.6-72.3-65.3-67.100112.8Q301 E302 R309Q301-M305 WeakPolarHBondContact O-CB 3.47Å; Q301-M305 VanDerWaalsContact O-CG 3.28Å; Q301-M305 WeakPolarHBondContact O-CG 3.28Å; Q301-M305 PolarHBondContact O-N 3.09Å; E302-M305 PolarHBondContact O-N 3.49Å; M305-R309 VanDerWaalsContact O-CG 3.3Å; M305-R309 WeakPolarHBondContact O-CG 3.3Å; M305-R309 PolarHBondContact O-N 3.11Å
306E90.1Very high91.4Very high115 Ų115105.6 Ų105.654%0.53751%0.51SS..Hα-helixtrans-66.2-45.6170-73-169.314700111.6E302 K303 Y308 R309 I310E302-E306 WeakPolarHBondContact O-CG 3.45Å; E302-E306 PolarHBondContact O-N 2.96Å; K303-E306 PolarHBondContact O-N 3.3Å; E306-Y308 VanDerWaalsContact C-N 3.28Å; E306-Y308 PolarHBondContact O-N 2.9Å; E306-R309 PolarHBondContact O-N 3.47Å; E306-R309 VanDerWaalsContact O-N 3.15Å; E306-I310 WeakPolarHBondContact O-CB 3.42Å; E306-I310 VanDerWaalsContact O-CG1 3.29Å; E306-I310 WeakPolarHBondContact O-CG1 3.36Å; E306-I310 PolarHBondContact O-N 3.47Å
307M88.5Confident91.2Very high130 Ų130108.9 Ų108.964%0.6452%0.515SS*.Hα-helixtrans-60.2-38.3175-177.8172.5173.600111.6K303 E304 T311K303-M307 VanDerWaalsContact O-CB 3.23Å; K303-M307 WeakPolarHBondContact O-CB 3.42Å; K303-M307 PolarHBondContact O-N 2.61Å; E304-M307 PolarHBondContact O-N 3.3Å; M307-T311 WeakPolarHBondContact O-CB 3.36Å; M307-T311 WeakPolarHBondContact O-CG2 3.33Å; M307-T311 PolarHBondContact O-N 2.74Å; M307-T311 PolarHBondContact O-OG1 2.88Å
308Y90.4Very high91.1Very high141 Ų141111 Ų11155%0.55351%0.513SS*.Hα-helixtrans-62.9-49.2172-173.9-88.3000111.5E304 E306 I310 T311 E312E304-Y308 WeakPolarHBondContact O-CB 3.42Å; E304-Y308 PolarHBondContact O-N 3.01Å; E306-Y308 VanDerWaalsContact C-N 3.28Å; E306-Y308 PolarHBondContact O-N 2.9Å; Y308-I310 VanDerWaalsContact C-N 3.35Å; Y308-I310 PolarHBondContact O-N 3.13Å; Y308-T311 PolarHBondContact O-N 2.94Å; Y308-T311 PolarHBondContact O-OG1 3.1Å; Y308-T311 VanDerWaalsContact O-OG1 3.09Å; Y308-E312 HydrophobicContact CE1-CB 4.36Å; Y308-E312 VanDerWaalsContact O-CB 3.24Å; Y308-E312 WeakPolarHBondContact O-CB 3.42Å; Y308-E312 PolarHBondContact O-N 3.21Å
309R92.9Very high90.8Very high167 Ų167109.4 Ų109.463%0.6351%0.512SS*.Hα-helixtrans-59.3-42.5177.1-73.8169.1178.21741.3112.6M305 E306 G313M305-R309 VanDerWaalsContact O-CG 3.3Å; M305-R309 WeakPolarHBondContact O-CG 3.3Å; M305-R309 PolarHBondContact O-N 3.11Å; E306-R309 PolarHBondContact O-N 3.47Å; E306-R309 VanDerWaalsContact O-N 3.15Å; R309-G313 PolarHBondContact O-N 2.7Å
310I91.8Very high90.6Very high116 Ų116108.4 Ų108.460%0.59551%0.511SS*.Hα-helixtrans-66.5-46.9178.6-68.5164.7000110.6E306 Y308 G313 L314E306-I310 WeakPolarHBondContact O-CB 3.42Å; E306-I310 VanDerWaalsContact O-CG1 3.29Å; E306-I310 WeakPolarHBondContact O-CG1 3.36Å; E306-I310 PolarHBondContact O-N 3.47Å; Y308-I310 VanDerWaalsContact C-N 3.35Å; Y308-I310 PolarHBondContact O-N 3.13Å; I310-G313 PolarHBondContact O-N 2.89Å; I310-L314 WeakPolarHBondContact O-CB 3.45Å; I310-L314 PolarHBondContact O-N 2.85Å
311T90.1Very high90.5Very high75 Ų75108 Ų10846%0.4651%0.512SS..Hα-helixtrans-68-35.7178.951.40000112.5M307 Y308 Q315M307-T311 WeakPolarHBondContact O-CB 3.36Å; M307-T311 WeakPolarHBondContact O-CG2 3.33Å; M307-T311 PolarHBondContact O-N 2.74Å; M307-T311 PolarHBondContact O-OG1 2.88Å; Y308-T311 PolarHBondContact O-N 2.94Å; Y308-T311 PolarHBondContact O-OG1 3.1Å; Y308-T311 VanDerWaalsContact O-OG1 3.09Å; T311-Q315 WeakPolarHBondContact O-CB 3.37Å; T311-Q315 PolarHBondContact O-N 3.24Å
312E91.1Very high90.2Very high71 Ų71106 Ų10633%0.33250%0.504SS..Hα-helixtrans-68.1-42.2173.5-162.7-159.8-160.600111.6Y308 Q315 R316Y308-E312 HydrophobicContact CE1-CB 4.36Å; Y308-E312 VanDerWaalsContact O-CB 3.24Å; Y308-E312 WeakPolarHBondContact O-CB 3.42Å; Y308-E312 PolarHBondContact O-N 3.21Å; E312-Q315 PolarHBondContact O-N 3.48Å; E312-R316 WeakPolarHBondContact O-CG 3.44Å; E312-R316 PolarHBondContact O-N 3.46Å; E312-R316 IonicContact OE1-CZ 2.77Å; E312-R316 IonicContact OE1-NH1 3.77Å; E312-R316 IonicContact OE1-NH2 2.71Å; E312-R316 PolarHBondContact OE1-NH2 2.78Å; E312-R316 IonicContact OE2-CZ 3.79Å; E312-R316 IonicContact OE2-NH1 3.91Å; E312-R316 PolarHBondContact OE2-NH1 3.39Å; E312-R316 IonicContact OE2-NH2 3.47Å; E312-R316 PolarHBondContact OE2-NH2 3.44Å
313G91.3Very high90Very high24 Ų24107.7 Ų107.725%0.24751%0.51CS..Hα-helixtrans-58.3-50.7172.200000112.3R309 I310 Q315 R316 E317R309-G313 PolarHBondContact O-N 2.7Å; I310-G313 PolarHBondContact O-N 2.89Å; G313-Q315 VanDerWaalsContact C-N 3.27Å; G313-Q315 PolarHBondContact O-N 2.71Å; G313-R316 WeakPolarHBondContact O-CA 3.36Å; G313-R316 WeakPolarHBondContact O-CB 3.48Å; G313-R316 PolarHBondContact O-N 2.79Å; G313-E317 PolarHBondContact O-N 2.86Å
314L90.4Very high89.8Confident108 Ų108106.7 Ų106.757%0.56551%0.507SS*.Hα-helixtrans-63.6-32.1177-169.7147.5000112.1I310 K318I310-L314 WeakPolarHBondContact O-CB 3.45Å; I310-L314 PolarHBondContact O-N 2.85Å; L314-K318 WeakPolarHBondContact O-CB 3.29Å; L314-K318 PolarHBondContact O-N 3.19Å
315Q87.7Confident89.5Confident90 Ų90105.3 Ų105.342%0.42150%0.503SS..Hα-helixtrans-69.2-37.6171.7-164.792.3-83.800111.9T311 E312 G313 Q319T311-Q315 WeakPolarHBondContact O-CB 3.37Å; T311-Q315 PolarHBondContact O-N 3.24Å; E312-Q315 PolarHBondContact O-N 3.48Å; G313-Q315 VanDerWaalsContact C-N 3.27Å; G313-Q315 PolarHBondContact O-N 2.71Å; Q315-Q319 WeakPolarHBondContact O-CG 3.49Å; Q315-Q319 PolarHBondContact O-N 2.99Å
316R89.8Confident89.3Confident135 Ų135104.3 Ų104.351%0.50950%0.5SS..Hα-helixtrans-64.1-45.4172.6-70.2178.8-177.199.90.5111.6E312 G313 Q319 C320E312-R316 WeakPolarHBondContact O-CG 3.44Å; E312-R316 PolarHBondContact O-N 3.46Å; E312-R316 IonicContact OE1-CZ 2.77Å; E312-R316 IonicContact OE1-NH1 3.77Å; E312-R316 IonicContact OE1-NH2 2.71Å; E312-R316 PolarHBondContact OE1-NH2 2.78Å; E312-R316 IonicContact OE2-CZ 3.79Å; E312-R316 IonicContact OE2-NH1 3.91Å; E312-R316 PolarHBondContact OE2-NH1 3.39Å; E312-R316 IonicContact OE2-NH2 3.47Å; E312-R316 PolarHBondContact OE2-NH2 3.44Å; G313-R316 WeakPolarHBondContact O-CA 3.36Å; G313-R316 WeakPolarHBondContact O-CB 3.48Å; G313-R316 PolarHBondContact O-N 2.79Å; R316-Q319 PolarHBondContact O-N 3.04Å; R316-C320 PolarHBondContact O-N 2.85Å
317E89.3Confident89.1Confident129 Ų129104.5 Ų104.560%0.60350%0.504SS*.Hα-helixtrans-60-48.4175.2-71.8-175.9165.700111.2G313 Q319 C320 L321G313-E317 PolarHBondContact O-N 2.86Å; E317-Q319 VanDerWaalsContact C-N 3.3Å; E317-Q319 PolarHBondContact O-N 3.08Å; E317-C320 CarbonylContact O-C 3.58Å; E317-C320 WeakPolarHBondContact O-CA 3.42Å; E317-C320 WeakPolarHBondContact O-CB 3.42Å; E317-C320 PolarHBondContact O-N 3.06Å; E317-L321 WeakPolarHBondContact O-CG 3.35Å; E317-L321 PolarHBondContact O-N 2.73Å
318K90.2Very high88.7Confident101 Ų101103.2 Ų103.244%0.43950%0.499SS..Hα-helixtrans-56.4-40.7173.8177.6-176163.5-161.60112.5L314 M322L314-K318 WeakPolarHBondContact O-CB 3.29Å; L314-K318 PolarHBondContact O-N 3.19Å; K318-M322 HydrophobicContact CG-CE 4.27Å; K318-M322 WeakPolarHBondContact O-CB 3.49Å; K318-M322 VanDerWaalsContact O-CG 3.3Å; K318-M322 WeakPolarHBondContact O-CG 3.19Å; K318-M322 PolarHBondContact O-N 2.66Å
319Q88.7Confident88.4Confident102 Ų102103.5 Ų103.548%0.47750%0.499SS..Hα-helixtrans-66.8-37.2173.6-75.4179.812.900112.7Q315 R316 E317 M322 K323Q315-Q319 WeakPolarHBondContact O-CG 3.49Å; Q315-Q319 PolarHBondContact O-N 2.99Å; R316-Q319 PolarHBondContact O-N 3.04Å; E317-Q319 VanDerWaalsContact C-N 3.3Å; E317-Q319 PolarHBondContact O-N 3.08Å; Q319-M322 HydrophobicContact CG-CE 4.08Å; Q319-M322 PolarHBondContact O-N 2.87Å; Q319-K323 WeakPolarHBondContact O-CG 3.13Å; Q319-K323 PolarHBondContact O-N 2.87Å
320C88.8Confident87.9Confident69 Ų69100.3 Ų100.347%0.46649%0.491SS..Hα-helixtrans-65.7-45175-163.30000111.4R316 E317 M322 K323 Q324R316-C320 PolarHBondContact O-N 2.85Å; E317-C320 CarbonylContact O-C 3.58Å; E317-C320 WeakPolarHBondContact O-CA 3.42Å; E317-C320 WeakPolarHBondContact O-CB 3.42Å; E317-C320 PolarHBondContact O-N 3.06Å; C320-M322 PolarHBondContact O-N 3Å; C320-K323 WeakPolarHBondContact O-CB 3.26Å; C320-K323 PolarHBondContact O-N 3.49Å; C320-Q324 PolarHBondContact O-N 3.17Å
321L90.7Very high87.4Confident108 Ų10898.2 Ų98.257%0.56548%0.484SS*.Hα-helixtrans-63.4-38.4175-69.2168.9000112.2E317 Q324 L325E317-L321 WeakPolarHBondContact O-CG 3.35Å; E317-L321 PolarHBondContact O-N 2.73Å; L321-Q324 PolarHBondContact O-N 3.33Å; L321-L325 WeakPolarHBondContact O-CB 3.46Å; L321-L325 PolarHBondContact O-N 3.25Å
322M87.6Confident86.8Confident85 Ų8599.2 Ų99.242%0.41949%0.486SS..Hα-helixtrans-64.1-42.7171.5-73.8-174.7-55.400111.6K318 Q319 C320 Q324 L325 D326K318-M322 HydrophobicContact CG-CE 4.27Å; K318-M322 WeakPolarHBondContact O-CB 3.49Å; K318-M322 VanDerWaalsContact O-CG 3.3Å; K318-M322 WeakPolarHBondContact O-CG 3.19Å; K318-M322 PolarHBondContact O-N 2.66Å; Q319-M322 HydrophobicContact CG-CE 4.08Å; Q319-M322 PolarHBondContact O-N 2.87Å; C320-M322 PolarHBondContact O-N 3Å; M322-Q324 VanDerWaalsContact C-N 3.33Å; M322-Q324 PolarHBondContact O-N 3.04Å; M322-L325 CarbonylContact O-C 3.58Å; M322-L325 WeakPolarHBondContact O-CB 3.19Å; M322-L325 PolarHBondContact O-N 3.4Å; M322-L325 VanDerWaalsContact O-N 3.14Å; M322-D326 WeakPolarHBondContact O-CB 3.33Å; M322-D326 PolarHBondContact O-N 3.45Å
323K88.1Confident86.3Confident151 Ų151100.4 Ų100.466%0.65749%0.49SS*.Hα-helixtrans-62.3-37.2174.1-72.7173.4-179179.90112.9Q319 C320 D326 L327Q319-K323 WeakPolarHBondContact O-CG 3.13Å; Q319-K323 PolarHBondContact O-N 2.87Å; C320-K323 WeakPolarHBondContact O-CB 3.26Å; C320-K323 PolarHBondContact O-N 3.49Å; K323-D326 PolarHBondContact O-N 3.4Å; K323-L327 WeakPolarHBondContact O-CB 3.4Å; K323-L327 PolarHBondContact O-N 2.94Å
324Q87.6Confident85.5Confident110 Ų110104.5 Ų104.551%0.51450%0.503SS..Hα-helixtrans-66.5-41.1172-73.6-178.4-16.500111.8C320 L321 M322 D326 L327 L328C320-Q324 PolarHBondContact O-N 3.17Å; L321-Q324 PolarHBondContact O-N 3.33Å; M322-Q324 VanDerWaalsContact C-N 3.33Å; M322-Q324 PolarHBondContact O-N 3.04Å; Q324-D326 VanDerWaalsContact C-N 3.33Å; Q324-L327 PolarHBondContact O-N 3.18Å; Q324-L328 WeakPolarHBondContact O-CB 3.26Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.35Å; Q324-L328 PolarHBondContact O-N 3.36Å
325L85.3Confident84.6Confident86 Ų86103.9 Ų103.945%0.4550%0.499SS..Hα-helixtrans-63.1-39.9175.1-168.376.7000111.6L321 M322 L328 R329L321-L325 WeakPolarHBondContact O-CB 3.46Å; L321-L325 PolarHBondContact O-N 3.25Å; M322-L325 CarbonylContact O-C 3.58Å; M322-L325 WeakPolarHBondContact O-CB 3.19Å; M322-L325 PolarHBondContact O-N 3.4Å; M322-L325 VanDerWaalsContact O-N 3.14Å; L325-L328 PolarHBondContact O-N 2.97Å; L325-R329 WeakPolarHBondContact O-CB 3.49Å; L325-R329 WeakPolarHBondContact O-CD 3.32Å; L325-R329 VanDerWaalsContact O-CG 3.23Å; L325-R329 WeakPolarHBondContact O-CG 3.2Å; L325-R329 PolarHBondContact O-N 2.74Å
326D85.5Confident83.8Confident78 Ų78105.9 Ų105.942%0.41751%0.507SS..Hα-helixtrans-73.3-35.7178-68.9-32.2000112.3M322 K323 Q324 R329 E330M322-D326 WeakPolarHBondContact O-CB 3.33Å; M322-D326 PolarHBondContact O-N 3.45Å; K323-D326 PolarHBondContact O-N 3.4Å; Q324-D326 VanDerWaalsContact C-N 3.33Å; D326-R329 WeakPolarHBondContact O-CB 3.3Å; D326-R329 PolarHBondContact O-N 2.99Å; D326-R329 VanDerWaalsContact OD1-CD 3.27Å; D326-R329 WeakPolarHBondContact OD1-CD 3.13Å; D326-R329 IonicContact OD1-CZ 3.64Å; D326-R329 IonicContact OD1-NE 3.86Å; D326-R329 IonicContact OD1-NH1 2.72Å; D326-R329 PolarHBondContact OD1-NH1 2.7Å; D326-E330 PolarHBondContact O-N 2.84Å
327L85.1Confident82.8Confident118 Ų118103 Ų10362%0.61850%0.502SS*.Hα-helixtrans-62.6-43.3168-17666.4000111.3K323 Q324 R329 E330 V331K323-L327 WeakPolarHBondContact O-CB 3.4Å; K323-L327 PolarHBondContact O-N 2.94Å; Q324-L327 PolarHBondContact O-N 3.18Å; L327-R329 VanDerWaalsContact C-N 3.31Å; L327-R329 PolarHBondContact O-N 3.5Å; L327-E330 PolarHBondContact O-N 2.98Å; L327-V331 WeakPolarHBondContact O-CB 3.28Å; L327-V331 WeakPolarHBondContact O-CG2 3.38Å; L327-V331 PolarHBondContact O-N 3.25Å
328L80.1Confident81.7Confident103 Ų103101.4 Ų101.454%0.53949%0.494SS..Hα-helixtrans-65.7-32.6174.7-74.4168.7000112.3Q324 L325 N332Q324-L328 WeakPolarHBondContact O-CB 3.26Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.35Å; Q324-L328 PolarHBondContact O-N 3.36Å; L325-L328 PolarHBondContact O-N 2.97Å; L328-N332 VanDerWaalsContact O-CB 3.31Å; L328-N332 WeakPolarHBondContact O-CB 3.42Å; L328-N332 PolarHBondContact O-N 2.9Å; L328-N332 PolarHBondContact O-ND2 3.3Å
329R85Confident80.4Confident148 Ų148104 Ų10456%0.55850%0.501SS*.Hα-helixtrans-67.3-45.4171.9-76.5159167.4175.9-3.8111.4L325 D326 L327 N332 K333L325-R329 WeakPolarHBondContact O-CB 3.49Å; L325-R329 WeakPolarHBondContact O-CD 3.32Å; L325-R329 VanDerWaalsContact O-CG 3.23Å; L325-R329 WeakPolarHBondContact O-CG 3.2Å; L325-R329 PolarHBondContact O-N 2.74Å; D326-R329 WeakPolarHBondContact O-CB 3.3Å; D326-R329 PolarHBondContact O-N 2.99Å; D326-R329 VanDerWaalsContact OD1-CD 3.27Å; D326-R329 WeakPolarHBondContact OD1-CD 3.13Å; D326-R329 IonicContact OD1-CZ 3.64Å; D326-R329 IonicContact OD1-NE 3.86Å; D326-R329 IonicContact OD1-NH1 2.72Å; D326-R329 PolarHBondContact OD1-NH1 2.7Å; L327-R329 VanDerWaalsContact C-N 3.31Å; L327-R329 PolarHBondContact O-N 3.5Å; R329-N332 CarbonylContact O-C 3.52Å; R329-N332 PolarHBondContact O-N 2.84Å; R329-K333 WeakPolarHBondContact O-CB 3.31Å; R329-K333 PolarHBondContact O-N 3.5Å
330E82.7Confident79.1Confident100 Ų100103 Ų10347%0.46750%0.499SS..Hα-helixtrans-68.3-35.9179.1-163.760.7-15500111.4D326 L327 K333 H334D326-E330 PolarHBondContact O-N 2.84Å; L327-E330 PolarHBondContact O-N 2.98Å; E330-K333 WeakPolarHBondContact O-CB 3.5Å; E330-K333 PolarHBondContact O-N 2.98Å; E330-K333 IonicContact OE1-NZ 3.1Å; E330-K333 PolarHBondContact OE1-NZ 2.95Å; E330-K333 IonicContact OE2-NZ 2.71Å; E330-H334 WeakPolarHBondContact O-CB 3.27Å; E330-H334 PolarHBondContact O-N 2.97Å
331V80.8Confident77.6Confident71 Ų71105.3 Ų105.343%0.4351%0.506SS..Hα-helixtrans-66.7-42.4170.1170.70000111.7L327 K333 H334 L335L327-V331 WeakPolarHBondContact O-CB 3.28Å; L327-V331 WeakPolarHBondContact O-CG2 3.38Å; L327-V331 PolarHBondContact O-N 3.25Å; V331-K333 PolarHBondContact O-N 2.6Å; V331-H334 PolarHBondContact O-N 3.04Å; V331-L335 HydrophobicContact CG1-CD1 3.97Å; V331-L335 HydrophobicContact CG1-CG 4.43Å; V331-L335 WeakPolarHBondContact O-CB 3.4Å; V331-L335 VanDerWaalsContact O-CG 3.28Å; V331-L335 WeakPolarHBondContact O-CG 3.47Å; V331-L335 PolarHBondContact O-N 3.34Å
332N76.6Confident75.8Confident97 Ų97107.7 Ų107.752%0.51951%0.511SS..Hα-helixtrans-66.4-26.8173.8-88.3-90.1000112.9L328 R329 K336L328-N332 VanDerWaalsContact O-CB 3.31Å; L328-N332 WeakPolarHBondContact O-CB 3.42Å; L328-N332 PolarHBondContact O-N 2.9Å; L328-N332 PolarHBondContact O-ND2 3.3Å; R329-N332 CarbonylContact O-C 3.52Å; R329-N332 PolarHBondContact O-N 2.84Å; N332-K336 WeakPolarHBondContact O-CG 3.48Å; N332-K336 PolarHBondContact O-N 3.28Å
333K80.4Confident74.1Confident96 Ų96108 Ų10842%0.41752%0.521SS..Hα-helixtrans-72.9-50171171.7178156.9-118.70110.2R329 E330 V331 L335 K336 D337R329-K333 WeakPolarHBondContact O-CB 3.31Å; R329-K333 PolarHBondContact O-N 3.5Å; E330-K333 WeakPolarHBondContact O-CB 3.5Å; E330-K333 PolarHBondContact O-N 2.98Å; E330-K333 IonicContact OE1-NZ 3.1Å; E330-K333 PolarHBondContact OE1-NZ 2.95Å; E330-K333 IonicContact OE2-NZ 2.71Å; V331-K333 PolarHBondContact O-N 2.6Å; K333-L335 VanDerWaalsContact C-N 3.29Å; K333-L335 PolarHBondContact O-N 2.79Å; K333-K336 CarbonylContact O-C 3.59Å; K333-K336 WeakPolarHBondContact O-CA 3.43Å; K333-K336 WeakPolarHBondContact O-CB 3.28Å; K333-K336 PolarHBondContact O-N 2.9Å; K333-D337 WeakPolarHBondContact CG-OD2 3.35Å; K333-D337 PolarHBondContact O-N 3.01Å
334H75.3Confident72.2Confident109 Ų109104.7 Ų104.751%0.50552%0.522SS..Hα-helixtrans-56.7-41.8175.9-154.6-82000112E330 V331 K336 D337 E338E330-H334 WeakPolarHBondContact O-CB 3.27Å; E330-H334 PolarHBondContact O-N 2.97Å; V331-H334 PolarHBondContact O-N 3.04Å; H334-K336 VanDerWaalsContact C-N 3.3Å; H334-K336 PolarHBondContact O-N 3.29Å; H334-D337 PolarHBondContact O-N 2.84Å; H334-E338 IonicContact CE1-OE1 3.06Å; H334-E338 PolarHBondContact CE1-OE1 3.39Å; H334-E338 IonicContact ND1-OE1 2.8Å; H334-E338 PolarHBondContact ND1-OE1 3.29Å; H334-E338 VanDerWaalsContact O-CB 3.28Å; H334-E338 WeakPolarHBondContact O-CB 3.43Å; H334-E338 VanDerWaalsContact O-CG 3.27Å; H334-E338 WeakPolarHBondContact O-CG 3.27Å; H334-E338 PolarHBondContact O-N 2.92Å
335L71.9Confident70Confident95 Ų95104.7 Ų104.750%0.49753%0.529SS..Hα-helixtrans-67.9-24.8174.4-71.3169.3000113.7V331 K333 R339V331-L335 HydrophobicContact CG1-CD1 3.97Å; V331-L335 HydrophobicContact CG1-CG 4.43Å; V331-L335 WeakPolarHBondContact O-CB 3.4Å; V331-L335 VanDerWaalsContact O-CG 3.28Å; V331-L335 WeakPolarHBondContact O-CG 3.47Å; V331-L335 PolarHBondContact O-N 3.34Å; K333-L335 VanDerWaalsContact C-N 3.29Å; K333-L335 PolarHBondContact O-N 2.79Å; L335-R339 VanDerWaalsContact O-CB 3.24Å; L335-R339 WeakPolarHBondContact O-CB 3.39Å; L335-R339 PolarHBondContact O-N 3.18Å
336K71.2Confident67.9Low133 Ų133108.8 Ų108.858%0.57854%0.544SS*.Hα-helixtrans-77.8-48.1169.5-82.6179.8174.1-172.80111.1N332 K333 H334 E338 R339 D340N332-K336 WeakPolarHBondContact O-CG 3.48Å; N332-K336 PolarHBondContact O-N 3.28Å; K333-K336 CarbonylContact O-C 3.59Å; K333-K336 WeakPolarHBondContact O-CA 3.43Å; K333-K336 WeakPolarHBondContact O-CB 3.28Å; K333-K336 PolarHBondContact O-N 2.9Å; H334-K336 VanDerWaalsContact C-N 3.3Å; H334-K336 PolarHBondContact O-N 3.29Å; K336-E338 VanDerWaalsContact C-N 3.31Å; K336-E338 PolarHBondContact O-N 3.05Å; K336-R339 CarbonylContact O-C 3.6Å; K336-R339 PolarHBondContact O-N 2.98Å; K336-R339 VanDerWaalsContact O-N 3.08Å; K336-D340 WeakPolarHBondContact O-CB 3.43Å; K336-D340 VanDerWaalsContact O-CG 3.24Å; K336-D340 PolarHBondContact O-N 2.92Å
337D68.7Low65.3Low74 Ų74109.7 Ų109.740%0.39656%0.556SS.*Hα-helixtrans-58.9-44.3179.4-60.9-17.7000109.6K333 H334 D340 I341K333-D337 WeakPolarHBondContact CG-OD2 3.35Å; K333-D337 PolarHBondContact O-N 3.01Å; H334-D337 PolarHBondContact O-N 2.84Å; D337-D340 PolarHBondContact O-N 3.46Å; D337-I341 VanDerWaalsContact O-CB 3.3Å; D337-I341 WeakPolarHBondContact O-CB 3.33Å; D337-I341 WeakPolarHBondContact O-CD1 3.42Å; D337-I341 WeakPolarHBondContact O-CG1 3.47Å; D337-I341 PolarHBondContact O-N 3.02Å
338E66Low62.7Low95 Ų95112.2 Ų112.244%0.44457%0.565SS.*Hα-helixtrans-59.7-45.4171-78.5172.8-178.500113.1H334 K336 F342H334-E338 IonicContact CE1-OE1 3.06Å; H334-E338 PolarHBondContact CE1-OE1 3.39Å; H334-E338 IonicContact ND1-OE1 2.8Å; H334-E338 PolarHBondContact ND1-OE1 3.29Å; H334-E338 VanDerWaalsContact O-CB 3.28Å; H334-E338 WeakPolarHBondContact O-CB 3.43Å; H334-E338 VanDerWaalsContact O-CG 3.27Å; H334-E338 WeakPolarHBondContact O-CG 3.27Å; H334-E338 PolarHBondContact O-N 2.92Å; K336-E338 VanDerWaalsContact C-N 3.31Å; K336-E338 PolarHBondContact O-N 3.05Å; E338-F342 WeakPolarHBondContact O-CB 3.3Å; E338-F342 PolarHBondContact O-N 3.49Å
339R62.9Low60.3Low156 Ų156114.6 Ų114.659%0.58958%0.578SS**Hα-helixtrans-69.7-37.7-179.1-169.5-155.870.4150.25.6111.9L335 K336 F342 C343L335-R339 VanDerWaalsContact O-CB 3.24Å; L335-R339 WeakPolarHBondContact O-CB 3.39Å; L335-R339 PolarHBondContact O-N 3.18Å; K336-R339 CarbonylContact O-C 3.6Å; K336-R339 PolarHBondContact O-N 2.98Å; K336-R339 VanDerWaalsContact O-N 3.08Å; R339-F342 CarbonylContact O-C 3.59Å; R339-F342 WeakPolarHBondContact O-CB 3.26Å; R339-F342 PolarHBondContact O-N 2.94Å; R339-C343 PolarHBondContact O-N 3.43Å; R339-C343 PolarHBondContact O-SG 3.07Å
340D60.1Low57.7Low80 Ų80114.8 Ų114.843%0.42859%0.59SS.*Hα-helixtrans-77.4-28.3-179.4-64.1-7.6000110.4K336 D337 A344K336-D340 WeakPolarHBondContact O-CB 3.43Å; K336-D340 VanDerWaalsContact O-CG 3.24Å; K336-D340 PolarHBondContact O-N 2.92Å; D337-D340 PolarHBondContact O-N 3.46Å; D340-A344 PolarHBondContact O-N 3.45Å
341I57.8Low55.1Low119 Ų119118 Ų11861%0.6161%0.61SS**Hα-helixtrans-63.3-44161.2-73.3164.3000111.1D337 C343 A344D337-I341 VanDerWaalsContact O-CB 3.3Å; D337-I341 WeakPolarHBondContact O-CB 3.33Å; D337-I341 WeakPolarHBondContact O-CD1 3.42Å; D337-I341 WeakPolarHBondContact O-CG1 3.47Å; D337-I341 PolarHBondContact O-N 3.02Å; I341-C343 VanDerWaalsContact C-N 3.3Å; I341-C343 PolarHBondContact O-N 3.31Å; I341-A344 WeakPolarHBondContact O-CB 3.44Å; I341-A344 PolarHBondContact O-N 3.4Å; I341-A344 VanDerWaalsContact O-N 3.09Å
342F53.8Low52.7Low157 Ų157118.5 Ų118.569%0.68962%0.622SS**Hα-helixtrans-66.2-32.1179.2-156.3-87.9000112.6E338 R339 A344E338-F342 WeakPolarHBondContact O-CB 3.3Å; E338-F342 PolarHBondContact O-N 3.49Å; R339-F342 CarbonylContact O-C 3.59Å; R339-F342 WeakPolarHBondContact O-CB 3.26Å; R339-F342 PolarHBondContact O-N 2.94Å; F342-A344 VanDerWaalsContact C-N 3.27Å; F342-A344 PolarHBondContact O-N 3.01Å
343C51.8Low51.4Low92 Ų92119.5 Ų119.562%0.62263%0.634SS**THydrogen-bonded Turntrans-73.2-11.3172.6-74.20000114.3R339 I341R339-C343 PolarHBondContact O-N 3.43Å; R339-C343 PolarHBondContact O-SG 3.07Å; I341-C343 VanDerWaalsContact C-N 3.3Å; I341-C343 PolarHBondContact O-N 3.31Å
344A47.3Very low48.9Very low82 Ų82119.3 Ų119.368%0.67865%0.65SS**THydrogen-bonded Turntrans-90.62.8-175.800000114.8D340 I341 F342D340-A344 PolarHBondContact O-N 3.45Å; I341-A344 WeakPolarHBondContact O-CB 3.44Å; I341-A344 PolarHBondContact O-N 3.4Å; I341-A344 VanDerWaalsContact O-N 3.09Å; F342-A344 VanDerWaalsContact C-N 3.27Å; F342-A344 PolarHBondContact O-N 3.01Å
345V42.7Very low46.6Very low109 Ų109118.1 Ų118.166%0.66166%0.659SS**SBendtrans-122.45.9-166.6-172.60000113.7
346F39.8Very low44.6Very low173 Ų173118.3 Ų118.376%0.75967%0.669SS**SBendtrans-131.3119.2172.2-78.6-79.8000112.4
347S30.7Very low42.6Very low96 Ų96118.5 Ų118.567%0.67168%0.681SS**  trans1.7121.6162.4-61.40000118.3
348E31.4Very low40.7Very low172 Ų172118.6 Ų118.680%0.80469%0.692SS**  90.5149.564-79.8175.6139.500113.7
349D30.3Very low39Very low153 Ų153125.3 Ų125.382%0.81871%0.713SS**  trans77.6156.9170.5-63-27.2000122.1
350D29.7Very low37.4Very low152 Ų152123.9 Ų123.981%0.81372%0.722SS**  trans73.299.8172.1-66-14.3000122.6
351D28Very low35.9Very low167 Ų167124.2 Ų124.289%0.89374%0.736SS**  81153128-101.5-20.3000124.3
352A30.5Very low34.6Very low82 Ų82122.7 Ų122.768%0.67874%0.741SS**  trans-121.7-174.1173.200000108.7
353P50Low33.5Very low117 Ų117124.9 Ų124.976%0.7675%0.745SS**  cis-137.6-172.9-2.542.8-24.7000115.2
354A27.2Very low32.6Very low93 Ų93129 Ų12977%0.76975%0.747SS**  trans78.6138.2142.300000123.6
355A27.5Very low31.8Very low84 Ų84131.9 Ų131.969%0.69475%0.747SS**  trans70.293133.300000123.4
356S28.8Very low31.2Very low99 Ų99137.7 Ų137.769%0.69276%0.757SS**  73.9153.2114.8800000122.9
357T30.8Very low31.5Very low136 Ų136135.1 Ų135.183%0.83476%0.758SS**  trans66.7159.9162.965.30000118.9
358A28.5Very low31.5Very low76 Ų76135 Ų13563%0.62876%0.763SS**  cis-170.5144.1-38.400000110.1
359R28.8Very low31.6Very low237 Ų237131.4 Ų131.489%0.89476%0.762SS**  trans62.3174.7169.6-55.5171158.2172.7-7.1113.4
360T30.4Very low31.8Very low125 Ų125132.9 Ų132.977%0.76776%0.761SS**  cis-144.2165.7-1.8-23.70000111.2
361A28.6Very low32Very low88 Ų88135.4 Ų135.473%0.72777%0.765SS**  trans-12.9157.6147.200000119.6
362A29.5Very low32Very low87 Ų87131.3 Ų131.372%0.71975%0.754SS**  cis176.7-156.4-11.700000107.3
363R32.1Very low32.2Very low202 Ų202132.4 Ų132.476%0.76276%0.757SS**  trans65.4116.9138.9-176.9-173.4178.8157.8-3.7115.2
364R31.7Very low31.4Very low179 Ų179132.5 Ų132.568%0.67576%0.756SS**  cis-171.9-167.427.7-119.9176-159.3-170.50.3106.1
365Q31.8Very low31.7Very low143 Ų143135.5 Ų135.567%0.66876%0.758SS**  cis-168.9154.124.6-138.6137.2-153.600105
366R30Very low31.9Very low231 Ų231134.9 Ų134.987%0.87275%0.752SS**  47.7152.551.5-80-168.4174.5-166.1-0.2114.3
367P45.3Very low32.4Very low119 Ų119138.3 Ų138.377%0.77376%0.763SS**  cis-105.5-178.6-5.110.415.6000111.4
368A30.5Very low32.5Very low94 Ų94135.1 Ų135.178%0.77776%0.757SS**  cis98.6123.120.400000117.7
369A33Very low32.8Very low95 Ų95139.4 Ų139.479%0.78577%0.768SS**  trans75.7159.1157.500000118.1
370K35.3Very low33.1Very low184 Ų184134.4 Ų134.480%0.876%0.763SS**  cis-152.2151.526.4-68.7171.8178.3167.50115
371K33Very low33.5Very low205 Ų205133.6 Ų133.689%0.89176%0.763SS**  trans65.1154.4154.3-68.7175.7177.1-167.50117.4
372A28.8Very low34.2Very low82 Ų82135.5 Ų135.568%0.67877%0.768SS**  cis-128.5144.6-300000108.9
373S35.1Very low34.1Very low104 Ų104135 Ų13573%0.72777%0.77SS**  59.5134.975.3115.20000112.9
374T32.7Very low35.6Very low120 Ų120131.7 Ų131.774%0.73678%0.776SS**  cis-1621628.5-8.50000107.4
375L33Very low35.4Very low156 Ų156128.1 Ų128.182%0.81778%0.784SS**  cis-139.1150.516.9-95.4169.4000109.9
376A32.8Very low35.3Very low70 Ų70132.5 Ų132.558%0.57979%0.794SS**  58.6107.1100.900000116.6
377N38.2Very low35.3Very low172 Ų172128.7 Ų128.792%0.9279%0.787SS**  87.6138.166.6-68.40.9000112.8
378G32.5Very low34.6Very low68 Ų68130.6 Ų130.670%0.70179%0.785SS**  cis153.4154.6-11.100000114.6
379I35.2Very low34.5Very low166 Ų166133.5 Ų133.585%0.85179%0.788SS**  trans77.4110.9154.1-65.1174.6000120
380V35Very low34.4Very low133 Ų133134.6 Ų134.681%0.80678%0.784SS**  trans62.3130136.5177.30000121.8
381S39.6Very low34.1Very low108 Ų108134.7 Ų134.776%0.75579%0.785SS**  trans-72.1147.1166.5-340000112.5
382P42.8Very low34.3Very low128 Ų128131 Ų13183%0.83178%0.781SS**  -156.9165.591.340.5-22.7000117.4
383G27.9Very low34.4Very low75 Ų75136.3 Ų136.377%0.77379%0.789SS**  trans84165.6148.700000118.4
384P63.7Low34.8Very low134 Ų134136.6 Ų136.687%0.8779%0.789SS**  trans-116.6146.6-167.239.2-28000115.8
385A26.8Very low34.5Very low103 Ų103140.6 Ų140.685%0.85179%0.79SS**  trans-156.4167159.700000111.7
386R30.1Very low34.2Very low236 Ų236143.3 Ų143.389%0.89179%0.79SS**  trans-79171.2176.8-56.2169.8173.9166.8-4.5110
387E30.4Very low34Very low151 Ų151145.4 Ų145.471%0.70680%0.795SS**  -166.7157.955.3-78.2-159.810600115.6
388Q30.6Very low33.5Very low158 Ų158142.4 Ų142.474%0.73879%0.788SS**  trans29.8121139.5-53-173.168.900121.8
389D27.6Very low33.4Very low156 Ų156143 Ų14383%0.83479%0.786SS**  -166.1-170122.7-135.736.4000110.8
390V30.8Very low33.1Very low117 Ų117142.7 Ų142.771%0.70978%0.781SS**  -146.2172.1-100.21270000114.8
391K30.1Very low32.9Very low187 Ų187143.2 Ų143.281%0.81378%0.779SS**  trans-43.6156.6168.1-84.8170.3-177.2168.10114.7
392P36.4Very low32.5Very low127 Ų127143 Ų14383%0.82578%0.784SS**  -155175.554.244.5-23.6000120.7
393K31.5Very low32Very low194 Ų194141.6 Ų141.684%0.84378%0.783SS**  trans-67.3166.9155.8-85.1-178.6176.5179.60110
394P42.6Very low32.1Very low110 Ų110143.6 Ų143.671%0.71478%0.776SS**  cis-16017442.845.3-23.1000121.6
395R27Very low30.5Very low203 Ų203147.1 Ų147.177%0.76677%0.772SS**  trans56.6124.2138.8-80.3177.9171.3-176.3-1.5123.7
396R27.4Very low30.7Very low213 Ų213150.9 Ų150.980%0.80477%0.769SS**  trans68.8165.1137.4-60177.9167.6-176.8-6.8116.4
397T27.1Very low30.6Very low114 Ų114145.1 Ų145.170%0.69976%0.761SS**  cis-141.6167.813.949.70000112.8
398S28.4Very low30.6Very low109 Ų109142.8 Ų142.876%0.76276%0.761SS**  trans52.2138.6140.259.10000121.1
399A30.7Very low30.6Very low80 Ų80143 Ų14366%0.66176%0.762SS**  cis-164.3-162.4300000108.4
400E29.1Very low30.8Very low161 Ų161143.6 Ų143.675%0.75276%0.76SS**  cis-160.6-179.82.8-156.263.8-79.100108.7
401N30.9Very low30.7Very low144 Ų144144.6 Ų144.677%0.7776%0.761SS**  trans68.4111.8167.6-54.3-33.2000116.6
402A31.3Very low30.8Very low102 Ų102144.1 Ų144.184%0.84376%0.762SS**  cis80.8133.84400000114.1
403A31.6Very low30.5Very low100 Ų100145.6 Ų145.683%0.82676%0.763SS**  cis-158.8-168.2-10.900000107.8
404D29.7Very low30.4Very low117 Ų117142 Ų14263%0.62676%0.757SS**  cis-162.7164.910.4-175.815.7000109.1
405R31.5Very low30Very low207 Ų207145 Ų14578%0.78177%0.766SS**  trans68.8144.4166.6-66.7152.2-157.4-142.4-1.3119.1
406K29.4Very low30Very low182 Ų182139.1 Ų139.179%0.79177%0.768SS**  cis-161.8124-9.7-124.5-174.9173.2-162.50114.5
407T29.6Very low30.1Very low116 Ų116138.3 Ų138.371%0.71277%0.773SS**  trans24.7123.3137.960.40000124.2
408S29.2Very low31.1Very low102 Ų102138 Ų13871%0.71377%0.773SS**  -178.2107.5121.553.80000109
409E31.7Very low31.1Very low163 Ų163139.5 Ų139.576%0.76278%0.778SS**  75.799.199.7-72.1162.1-16200112.6
410E31.5Very low31.1Very low167 Ų167143.1 Ų143.178%0.7879%0.787SS**  94.3134.9100.2-79.2169.7-164.200111.4
411D28.9Very low31.1Very low139 Ų139138.7 Ų138.774%0.74378%0.784SS**  cis-154.3179.61.8-131.2-18.4000113.4
412E31.6Very low30.9Very low177 Ų177144 Ų14483%0.82779%0.794SS**  trans1.8133.9172.3-56.4-165.2129.300122.6
413D29.8Very low31.2Very low158 Ų158145.1 Ų145.185%0.84579%0.792SS**  -167.2165.998.3-142.1-26.9000112.9
414V30.8Very low31.1Very low117 Ų117148.2 Ų148.271%0.70979%0.794SS**  trans-143128.4-163.5171.60000116
415L32.7Very low31.1Very low175 Ų175153.1 Ų153.192%0.91680%0.804SS**  trans72.5130.8163.3-72.2165.6000120.5
416G27.8Very low31Very low78 Ų78153.4 Ų153.480%0.80481%0.805SS**  trans161.971.9160.500000117.4
417E29.2Very low31.1Very low196 Ų196150.7 Ų150.792%0.91680%0.803SS**  trans-88.7165170.4-99.1-153.8130.700113.4
418P47.5Very low31.3Very low107 Ų107152.1 Ų152.170%0.69581%0.805SS**  trans-108.9-179.4-142.241.7-39000116.3
419T27.9Very low31.2Very low141 Ų141152.3 Ų152.387%0.86581%0.806SS**  trans-159.1158.9153.7-4.80000114.3
420D31Very low31.2Very low157 Ų157150.5 Ų150.584%0.8480%0.8SS**  trans-59.8157.3-165.4-55.8-72000120.3
421G29.9Very low31.1Very low68 Ų68150.6 Ų150.670%0.70180%0.801SS**  102104.8117.500000119.1
422W26.8Very low31.5Very low256 Ų256152.9 Ų152.997%0.9781%0.807SS**  trans-132139.2172.8-91.259.2000113.2
423P36.8Very low31.4Very low125 Ų125151.8 Ų151.881%0.81281%0.807SS**  trans-100.8177.4-17839.1-36.2000115.6
424L30.9Very low31.5Very low165 Ų165152.5 Ų152.586%0.86481%0.805SS**  trans-77.6141.6-170-62156.1000116.1
425R29.8Very low31.7Very low220 Ų220154.7 Ų154.783%0.8381%0.812SS**  178.2130.6117.3-97.9165.5-173.9-105.42.4117.1
426R28.7Very low32.1Very low213 Ų213151.4 Ų151.480%0.80480%0.8SS**  trans-13.7141.6158.7-58.3176-112.9-174.6-7.7119.8
427V31.6Very low32.2Very low124 Ų124157 Ų15775%0.75281%0.805SS**  176.7120.198.1157.20000113.3
428I33.8Very low32.2Very low146 Ų146154.6 Ų154.675%0.74980%0.798SS**  trans42.6118.3147.6-52.7170.5000122.2
429S26.9Very low31.5Very low106 Ų106156.9 Ų156.974%0.74180%0.804SS**  174.7145.4118.9-71.50000108
430I32.2Very low31.5Very low126 Ų126159.9 Ų159.965%0.64681%0.808SS**  cis-178.7161-7.6-104.6161.2000103.7
431E29.5Very low31.3Very low168 Ų168156.1 Ų156.179%0.78581%0.806SS**  trans63.5111.8173.4-77.2141.8-135.700116.7
432E35.6Very low31.1Very low188 Ų188156.7 Ų156.788%0.87981%0.812SS**  88.695.177-82.8-164.8174.600114.5
433D31Very low31.8Very low153 Ų153150.9 Ų150.982%0.81881%0.807SS**  trans-162.2179.3132.7-142.2-25000111.8
434H31.3Very low31.6Very low173 Ų173153.6 Ų153.680%0.80181%0.809SS**  trans-97.6171.1-157.9-62.777.5000117
435L33.8Very low32.1Very low164 Ų164151 Ų15186%0.85980%0.802SS**  trans-38164.7176.2-93.376000117.8
436P42.5Very low32.1Very low105 Ų105147.5 Ų147.568%0.68280%0.799SS**  cis-134.7174.616.141.2-25.5000116.4
437H28.8Very low32Very low195 Ų195144.2 Ų144.290%0.90380%0.797SS**  trans-149.1155.5147.2-113.871.3000112.6
438L30.9Very low31.7Very low146 Ų146145.1 Ų145.176%0.76479%0.793SS**  trans-116.9156-178.4-154.478.8000109.9
439L31.4Very low31.4Very low155 Ų155147.4 Ų147.481%0.81280%0.8SS**  trans73.4112.6163.1-52.6176.6000120.4
440Q27.6Very low31.4Very low205 Ų205148.3 Ų148.396%0.95880%0.796SS**  trans-166142.5132.3-104.2179.410.900108.4
441G27.2Very low31Very low78 Ų78152.7 Ų152.780%0.80480%0.804SS**  cis168.9106.6-12.600000114.7
442G27.1Very low30.9Very low79 Ų79152 Ų15281%0.81480%0.801SS**  trans79.3177.7162.800000118.1
443P39.7Very low30.4Very low134 Ų134151.2 Ų151.287%0.8780%0.797SS**  cis-122.1171.60.340.8-27.9000115.7
444Q32.6Very low30.3Very low182 Ų182151.8 Ų151.885%0.8580%0.795SS**  trans-96.5171.3169.1-79.9-174.5-27.400112.5
445P42.3Very low30Very low112 Ų112150.4 Ų150.473%0.72779%0.794SS**  -143.2145.5112.335.4-20.6000116.9
446L28.8Very low29.5Very low145 Ų145148.1 Ų148.176%0.75978%0.782SS**  33.5147.2122.6-45.7177.5000120.5
447L27.7Very low28.8Very low145 Ų145152.2 Ų152.276%0.75979%0.785SS**  cis-164.5149.3-6.6-113.8170.4000111.3
448H26.1Very low28.6Very low143 Ų143151 Ų15166%0.66278%0.78SS**  trans23128.1140.1-170.263.7000122.4
449Q25.6Very low28.3Very low193 Ų193152.4 Ų152.490%0.90278%0.783SS**  trans-148.1138137.5-115.4174.815.400110.4
450L27.1Very low28Very low126 Ų126153.4 Ų153.466%0.6678%0.784SS**  trans-99.4159172.6-80.3164.9000110.7
451R24.1Very low27.8Very low217 Ų217148 Ų14882%0.81977%0.774SS**  trans-153129.2141.8-118.6176.8-174.1-118.1-2.2110.5E453R451-E453 IonicContact NH1-OE1 3.02Å
452E28.1Very low27.7Very low153 Ų153152.7 Ų152.772%0.71577%0.774SS**  trans-77.5158.4161.6-57.3108.6152.300110.7
453E25.7Very low27.5Very low172 Ų172154.4 Ų154.480%0.80477%0.774SS**  trans-157.5151.5141.9-107.3157.7-134.100106.9R451R451-E453 IonicContact NH1-OE1 3.02Å
454E27.3Very low26.7Very low165 Ų165157.1 Ų157.177%0.77178%0.775SS**  trans-109.5166.8-152-61.5165.2123.500113.6
455D25.8Very low26.2Very low144 Ų144152.8 Ų152.877%0.7777%0.771SS**  trans60.7151.7152.7-58.9-16.2000119
456D24.3Very low25.3Very low116 Ų116153 Ų15362%0.6277%0.765SS**  cis-157.3176.928.4-135.7-2.3000113.6
457Y26Very low25.2Very low191 Ų191155.9 Ų155.975%0.74977%0.772SS**  trans-13.3164.1170.8-55-58.3000122.6
458E26.2Very low24.9Very low170 Ų170157.7 Ų157.779%0.79477%0.774SS**  cis-156.2-172.924.9-149.2153.8-128.500115.1
459E24Very low24.9Very low176 Ų176156.3 Ų156.382%0.82278%0.78SS**  trans-67.8172.3-169.5-47.9-175.2120.200115.1
460E23.9Very low24.9Very low176 Ų176156.1 Ų156.182%0.82278%0.779SS**  -151.1165.654.3-79.1-169.9150.100114.8
461A24.5Very low24.8Very low91 Ų91156.6 Ų156.675%0.75279%0.787SS**  trans-140119.1176.600000114.5
462H24.5Very low24.9Very low176 Ų176155 Ų15582%0.81579%0.786SS**  trans-151.3152.1171.6-76.3-24.7000109.9
463S23.6Very low24.7Very low116 Ų116156.7 Ų156.781%0.81179%0.791SS**  cis-164.3176.9-2058.30000109.4
464E22.2Very low25Very low190 Ų190154.6 Ų154.689%0.88879%0.79SS**  trans-69.6165-164.8-55.7177.195.600119.6
465A23.5Very low25.1Very low92 Ų92152.1 Ų152.176%0.7679%0.788SS**  trans86.1106.7134.800000124
466D23.6Very low25.1Very low115 Ų115151.4 Ų151.462%0.61579%0.789SS**  trans48.7119.2132.8-169.126.5000122K468D466-K468 PolarHBondContact OD1-N 3.48Å; D466-K468 VanDerWaalsContact OD1-N 3.09Å
467K24.7Very low25.3Very low207 Ų207151.2 Ų151.290%0.980%0.796SS**  -154.1105.4127.6-106.8143.5-167.9161.80114.2
468K22.7Very low25.7Very low183 Ų183147.6 Ų147.680%0.79680%0.797SS**  trans-17.1134.1161.3-60.6162.9-174.9166.50117.7D466D466-K468 PolarHBondContact OD1-N 3.48Å; D466-K468 VanDerWaalsContact OD1-N 3.09Å
469S25.2Very low25.7Very low114 Ų114151.4 Ų151.480%0.79780%0.804SS**  -162.1142.4128.749.40000115.6
470Q26.3Very low25.9Very low188 Ų188148.9 Ų148.988%0.87980%0.804SS**  trans45.797155.7-63-169.2-5.500122.8
471V25.3Very low26.2Very low136 Ų136149.5 Ų149.582%0.82481%0.807SS**  trans-18.8124.8137.3-161.30000116.5
472K24.8Very low26.9Very low183 Ų183150.4 Ų150.480%0.79681%0.805SS**  172.7121.9116.2-94.4172.5-172.1172.90115.3
473K25.2Very low27.2Very low190 Ų190147.9 Ų147.983%0.82680%0.802SS**  trans55.5141.3134-60.7-169.7175.7-167.30122.2
474T31.6Very low27.8Very low128 Ų128146.1 Ų146.179%0.78580%0.802SS**  trans-56.3144.8163.927.70000115.4
475P28.5Very low28.5Very low113 Ų113146 Ų14673%0.73480%0.798SS**  trans-106.4134.5134.734.6-26.3000109
476V25.7Very low29Very low128 Ų128151.4 Ų151.478%0.77681%0.808SS**  cis62.4104.844.6-171.10000112.1
477S30.1Very low29.4Very low112 Ų112150.4 Ų150.478%0.78382%0.815SS**PPolyproline II helixtrans-76.4134.6179.5179.60000112.1
478P34.1Very low29.7Very low116 Ų116150.1 Ų150.175%0.75381%0.814SS**PPolyproline II helixtrans-96.7131.1166.215.52.4000112.3
479R26.1Very low30.3Very low250 Ų250147.6 Ų147.694%0.94382%0.817SS**PPolyproline II helixtrans-70.4146.1171.3-156.3177.8-160.4150.61.2110.3
480C27.2Very low30.6Very low122 Ų122152.2 Ų152.282%0.82482%0.822SS**PPolyproline II helixtrans-68.4145.6-178.3-47.70000113.2
481Q30.8Very low31.1Very low189 Ų189148 Ų14888%0.88382%0.819SS**  -164170128.6-105.1-164.113.600110.6
482P40.1Very low31.4Very low111 Ų111151.3 Ų151.372%0.72182%0.823SS**  trans-94.3158-138.136.3-38.7000116.2
483V30.7Very low31.8Very low122 Ų122151.9 Ų151.974%0.73983%0.828SS**  trans-128.2110.2162.7179.30000108.8K485V483-K485 HydrophobicContact CG1-CG 4.34Å
484G34.9Very low32.3Very low79 Ų79147.5 Ų147.581%0.81482%0.822SS**  trans-72.1128.1169.100000110.8
485K37.2Very low32.6Very low188 Ų188145 Ų14582%0.81781%0.814SS**  trans-136.1132.2163.3-76.9-172.8176.9179.40109.2V483V483-K485 HydrophobicContact CG1-CG 4.34Å
486E35.3Very low33.4Very low206 Ų206146.2 Ų146.296%0.96382%0.819SS**  trans-70.1132.8-175.7-62.6175.3-178.500111.4
487A30.9Very low35Very low93 Ų93146.9 Ų146.977%0.76981%0.812SS**  trans-120.8122.717000000108.8
488K30.3Very low37Very low202 Ų202145.6 Ų145.688%0.87881%0.808SS**  trans-64.7130.8-177.6-63.9178179.31800110.3K490K488-K490 PolarHBondContact O-N 3.15Å
489P37.1Very low39.2Very low130 Ų130142.8 Ų142.884%0.84479%0.79SS**  trans-69.5130.9-179.828-34000111.1
490K31.3Very low42.1Very low211 Ų211135.4 Ų135.492%0.91777%0.769SS**  trans-108.5103.4163.6-91.3-168.7173.2-175.80109.7K488K488-K490 PolarHBondContact O-N 3.15Å
491A35.8Very low45.1Very low99 Ų99130.5 Ų130.582%0.81873%0.733SS**SBendtrans9.4104.5162.800000118.4
492K31.3Very low48.1Very low206 Ų206126 Ų12690%0.89672%0.715SS**  -151.1112.5115.6-111.3176.4-178.2-177.80109.3S494K492-S494 PolarHBondContact O-N 3.45Å
493E34.5Very low50.7Low195 Ų195121.2 Ų121.291%0.91168%0.682SS**  trans-93.387.2-168.6-170.9165.6-142.900110.7
494S35.8Very low53.7Low98 Ų98116.8 Ų116.869%0.68565%0.653SS**  trans-96.8109.4153.3550000107K492 V496K492-S494 PolarHBondContact O-N 3.45Å; S494-V496 PolarHBondContact O-N 3.16Å
495A37.3Very low56.5Low76 Ų76113 Ų11363%0.62861%0.614SS**  trans-58.8110.6179.700000109.9F497A495-F497 WeakPolarHBondContact O-CD2 3.5Å; A495-F497 PolarHBondContact O-N 3.05Å
496V44.9Very low59.1Low137 Ų137104 Ų10483%0.8358%0.575SS**  trans-75.795.6171.3-178.50000106.5S494 A498S494-V496 PolarHBondContact O-N 3.16Å; V496-A498 PolarHBondContact O-N 3.38Å
497F58.6Low61.8Low143 Ų14394.4 Ų94.463%0.62753%0.53SS*.PPolyproline II helixtrans-54.1136.9166.5-75.9-101.5000108.5A495A495-F497 WeakPolarHBondContact O-CD2 3.5Å; A495-F497 PolarHBondContact O-N 3.05Å
498A72.4Confident64.6Low85 Ų8590 Ų9070%0.70249%0.494SS*.PPolyproline II helixtrans-61.7135.9166.500000108V496 D500V496-A498 PolarHBondContact O-N 3.38Å; A498-D500 PolarHBondContact O-N 3.37Å
499P81.7Confident67.5Low57 Ų5780.3 Ų80.337%0.3745%0.452SS..PPolyproline II helixtrans-65.7134.9-179.528.7-35.3000110R501 Q550 A552P499-R501 PolarHBondContact O-N 2.91Å; P499-Q550 CarbonylContact C-O 3.42Å; P499-Q550 WeakPolarHBondContact CA-O 3.24Å; P499-Q550 WeakPolarHBondContact CB-O 3.41Å; P499-A552 HydrophobicContact CB-CB 3.79Å; P499-A552 HydrophobicContact CG-CB 3.73Å
500D86.8Confident69.9Low95 Ų9575.8 Ų75.851%0.50842%0.42SS..SBendtrans-64-28.6179.6-53.6-75.9000112.1A498 M549 Q550A498-D500 PolarHBondContact O-N 3.37Å; D500-M549 HydrophobicContact CB-CB 4.44Å; D500-M549 HydrophobicContact CB-CE 3.56Å; D500-Q550 PolarHBondContact N-O 3.32Å; D500-Q550 PolarHBondContact OD2-N 3.25Å
501R90.3Very high72.6Confident18 Ų1868.4 Ų68.47%0.06840%0.395CS..EExtended strand (participates in β ladder)trans-138.5151.6179.5-58.7176.6-167.6-114.910111.4P499 F503 M549 Q550 I551 A552 E667 D668P499-R501 PolarHBondContact O-N 2.91Å; R501-F503 HydrophobicContact CB-CE2 4.2Å; R501-F503 HydrophobicContact CB-CZ 4.22Å; R501-M549 HydrophobicContact CG-CE 4.16Å; R501-M549 VanDerWaalsContact NE-CE 3.33Å; R501-M549 PolarHBondContact NE-SD 2.93Å; R501-M549 VanDerWaalsContact NE-SD 3.39Å; R501-M549 PolarHBondContact NH2-SD 2.94Å; R501-M549 VanDerWaalsContact NH2-SD 3.45Å; R501-Q550 PolarHBondContact N-O 3.44Å; R501-I551 HydrophobicContact CB-CG1 4.09Å; R501-I551 HydrophobicContact CB-CG2 4.35Å; R501-A552 PolarHBondContact O-N 3.35Å; R501-E667 VanDerWaalsContact CD-OE2 3.29Å; R501-E667 WeakPolarHBondContact CD-OE2 3.46Å; R501-E667 IonicContact CZ-OE2 2.79Å; R501-E667 IonicContact NE-OE2 3.69Å; R501-E667 IonicContact NH1-OE2 3.63Å; R501-E667 PolarHBondContact NH1-OE2 2.9Å; R501-D668 IonicContact CZ-OD1 3.19Å; R501-D668 VanDerWaalsContact CZ-OD1 3.3Å; R501-D668 IonicContact CZ-OD2 2.64Å; R501-D668 VanDerWaalsContact NH1-CG 3.32Å; R501-D668 IonicContact NH1-OD1 2.71Å; R501-D668 PolarHBondContact NH1-OD1 3.41Å; R501-D668 IonicContact NH1-OD2 2.7Å; R501-D668 PolarHBondContact NH1-OD2 3.32Å; R501-D668 VanDerWaalsContact NH2-CG 3.27Å; R501-D668 IonicContact NH2-OD1 3.59Å; R501-D668 PolarHBondContact NH2-OD1 2.8Å; R501-D668 IonicContact NH2-OD2 3.77Å; R501-D668 PolarHBondContact NH2-OD2 2.92Å
502L92.4Very high75.1Confident95 Ų9568.4 Ų68.450%0.49739%0.389SS..EExtended strand (participates in β ladder)trans-136119.4-179.3-177.972.8000108.9A552 Q554L502-A552 WeakPolarHBondContact CA-O 3.44Å; L502-A552 HydrophobicContact CD1-CB 3.63Å; L502-Q554 HydrophobicContact CD1-CG 3.83Å; L502-Q554 HydrophobicContact CG-CG 4.47Å
503F94.8Very high78Confident10 Ų1058.7 Ų58.74%0.04435%0.347CS..EExtended strand (participates in β ladder)trans-121.5129.1179.6-61.8-55.9000111.8R501 I551 A552 Q554 D576 L663 M664 E667R501-F503 HydrophobicContact CB-CE2 4.2Å; R501-F503 HydrophobicContact CB-CZ 4.22Å; F503-I551 HydrophobicContact CD2-CG2 3.45Å; F503-I551 VanDerWaalsContact CD2-CG2 3.45Å; F503-I551 HydrophobicContact CE2-CG2 3.67Å; F503-A552 PolarHBondContact N-O 3.32Å; F503-Q554 PolarHBondContact O-N 3.01Å; F503-D576 WeakPolarHBondContact CA-OD2 3.4Å; F503-D576 HydrophobicContact CB-CB 4.39Å; F503-D576 HydrophobicContact CD1-CB 4.15Å; F503-L663 HydrophobicContact CB-CD1 4.07Å; F503-L663 HydrophobicContact CD1-CB 4.11Å; F503-L663 HydrophobicContact CD2-CB 3.85Å; F503-L663 HydrophobicContact CD2-CD1 4.34Å; F503-L663 HydrophobicContact CE1-CB 4.09Å; F503-L663 HydrophobicContact CE2-CB 3.84Å; F503-L663 HydrophobicContact CG-CB 4Å; F503-L663 HydrophobicContact CG-CD1 4.17Å; F503-L663 HydrophobicContact CZ-CB 3.96Å; F503-M664 HydrophobicContact CE2-CG 3.84Å; F503-M664 HydrophobicContact CZ-CG 4.18Å; F503-E667 HydrophobicContact CE1-CB 4.27Å; F503-E667 HydrophobicContact CZ-CB 4.39Å
504K93.4Very high80.7Confident29 Ų2950.1 Ų50.113%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-89.4111.1173.7172158.2164.3-85.60110.7W556 F571 R573 K574 D576 G577K504-W556 HydrophobicContact CD-CZ2 4.22Å; K504-F571 PolarHBondContact NZ-O 2.73Å; K504-R573 PolarHBondContact NZ-O 2.96Å; K504-K574 WeakPolarHBondContact CD-O 3.37Å; K504-K574 VanDerWaalsContact NZ-C 3.3Å; K504-K574 PolarHBondContact NZ-O 2.96Å; K504-D576 PolarHBondContact N-OD2 3.32Å; K504-D576 PolarHBondContact O-N 2.93Å; K504-G577 PolarHBondContact O-N 3.37Å
505V93.9Very high83.4Confident0 Ų045.9 Ų45.90%028%0.28CS..EExtended strand (participates in β ladder)trans-115.2126.6-179.4177.50000110.2M553 Q554 L555 W556 G577 V579 L659 L663V505-M553 HydrophobicContact CG2-CE 4.04Å; V505-Q554 PolarHBondContact N-O 3.2Å; V505-Q554 VanDerWaalsContact O-O 3.13Å; V505-L555 HydrophobicContact CB-CD2 4.06Å; V505-L555 HydrophobicContact CG1-CD2 4.26Å; V505-W556 PolarHBondContact O-N 3.07Å; V505-G577 WeakPolarHBondContact CA-O 3.42Å; V505-V579 HydrophobicContact CG1-CG2 3.56Å; V505-L659 HydrophobicContact CG1-CD2 3.82Å; V505-L659 HydrophobicContact CG2-CD2 4.32Å; V505-L663 HydrophobicContact CG2-CD1 3.86Å
506V92.2Very high86Confident0 Ų042.9 Ų42.90%025%0.254CS..EExtended strand (participates in β ladder)trans-107128.2-177.3-171.10000110.6V508 W556 T558 F572 A575 G577 V578 V579V506-V508 HydrophobicContact CG1-CG1 4.12Å; V506-W556 HydrophobicContact CG1-CB 4.43Å; V506-W556 HydrophobicContact CG2-CB 4.41Å; V506-T558 HydrophobicContact CG1-CG2 3.93Å; V506-F572 HydrophobicContact CG1-CD1 4.48Å; V506-F572 HydrophobicContact CG1-CE1 4.39Å; V506-A575 HydrophobicContact CG2-CB 3.88Å; V506-G577 PolarHBondContact N-O 3.41Å; V506-V578 WeakPolarHBondContact O-CA 3.34Å; V506-V579 PolarHBondContact O-N 2.87Å
507L92.1Very high88.2Confident3 Ų336.9 Ų36.92%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-94.1125.9176.7-68.676.3000110.2K515 L518 L519 L555 W556 T558 V579 L581L507-K515 HydrophobicContact CB-CD 4.48Å; L507-K515 HydrophobicContact CD2-CB 4.46Å; L507-L518 HydrophobicContact CD2-CD2 4.3Å; L507-L519 HydrophobicContact CD2-CB 4.24Å; L507-L555 HydrophobicContact CD1-CB 4.11Å; L507-L555 HydrophobicContact CD1-CD2 4.4Å; L507-W556 PolarHBondContact N-O 2.94Å; L507-T558 PolarHBondContact O-N 3.36Å; L507-T558 PolarHBondContact O-OG1 3.02Å; L507-V579 CarbonylContact C-O 3.54Å; L507-V579 WeakPolarHBondContact CA-O 3.42Å; L507-V579 HydrophobicContact CG-CB 4.35Å; L507-L581 HydrophobicContact CB-CD1 4.33Å; L507-L581 HydrophobicContact CD2-CD1 4.42Å; L507-L581 HydrophobicContact CG-CD1 4.49Å
508V90.8Very high89.9Confident0 Ų030 Ų300%019%0.189CC..EExtended strand (participates in β ladder)trans-137.7168.6-176.9-67.70000112.2V506 K515 T558 T568 F572 V578 V579 L580 L581 W596 V600V506-V508 HydrophobicContact CG1-CG1 4.12Å; V508-K515 VanDerWaalsContact C-CD 3.44Å; V508-K515 WeakPolarHBondContact O-CD 3.42Å; V508-T558 HydrophobicContact CG1-CG2 4.44Å; V508-T568 HydrophobicContact CG1-CG2 4.3Å; V508-F572 HydrophobicContact CG1-CE1 3.66Å; V508-F572 HydrophobicContact CG1-CZ 3.77Å; V508-F572 HydrophobicContact CG2-CE1 4.44Å; V508-V578 HydrophobicContact CG2-CG1 3.64Å; V508-V579 PolarHBondContact N-O 2.84Å; V508-L580 HydrophobicContact CG2-CB 4.3Å; V508-L580 HydrophobicContact CG2-CD1 4.14Å; V508-L580 WeakPolarHBondContact O-CA 3.36Å; V508-L581 PolarHBondContact O-N 2.95Å; V508-W596 HydrophobicContact CB-CE3 4.26Å; V508-W596 HydrophobicContact CB-CZ3 4.32Å; V508-V600 HydrophobicContact CG2-CG2 4.32Å
509G89.9Confident90.8Very high0 Ų026.3 Ų26.30%016%0.157CC..  trans128.5170.1-168.300000111.5K515 L581G509-K515 PolarHBondContact O-NZ 3.41Å; G509-L581 WeakPolarHBondContact CA-O 3.29Å
510N88.6Confident91.2Very high34 Ų3426.6 Ų26.618%0.18215%0.151CC..  trans-62.7176.6-174.6-70.37.7000113.4V513 K515 G560 A592 W596N510-V513 HydrophobicContact CB-CG1 4.11Å; N510-V513 WeakPolarHBondContact O-CG2 3.37Å; N510-K515 PolarHBondContact O-NZ 3Å; N510-G560 CarbonylContact C-O 3.59Å; N510-A592 WeakPolarHBondContact ND2-CB 3.46Å; N510-A592 WeakPolarHBondContact OD1-CB 3.49Å; N510-W596 PolarHBondContact OD1-NE1 3.28Å
511S87.7Confident91.5Very high56 Ų5622.4 Ų22.439%0.39213%0.129SC..SBendtrans-61.1161.9166.3-161.60000111.1V513 G560S511-V513 WeakPolarHBondContact O-CG1 3.45Å; S511-V513 PolarHBondContact O-N 2.86Å; S511-G560 PolarHBondContact N-O 3.14Å
512S88.3Confident91.5Very high99 Ų9921.9 Ų21.969%0.69213%0.127SC*.SBendtrans52.5-7.1178.6600000119.8G514S512-G514 PolarHBondContact O-N 2.8Å
513V92.3Very high91.4Very high2 Ų218.6 Ų18.61%0.01211%0.111CC..SBendtrans-64.1-8.6177.8-51.20000114.9N510 S511 K515 L581 D583 N615N510-V513 HydrophobicContact CB-CG1 4.11Å; N510-V513 WeakPolarHBondContact O-CG2 3.37Å; S511-V513 WeakPolarHBondContact O-CG1 3.45Å; S511-V513 PolarHBondContact O-N 2.86Å; V513-K515 HydrophobicContact CG2-CD 4.4Å; V513-K515 HydrophobicContact CG2-CG 3.67Å; V513-L581 HydrophobicContact CG2-CB 3.75Å; V513-D583 HydrophobicContact CB-CB 4.31Å; V513-D583 HydrophobicContact CG1-CB 4.12Å; V513-N615 PolarHBondContact O-ND2 2.89Å
514G91.4Very high91Very high15 Ų1523 Ų2316%0.15513%0.132CC..  trans9322.2171.400000116.8S512 T516 S517 L518S512-G514 PolarHBondContact O-N 2.8Å; G514-T516 PolarHBondContact O-N 2.85Å; G514-S517 CarbonylContact O-C 3.58Å; G514-S517 WeakPolarHBondContact O-CA 3.45Å; G514-S517 WeakPolarHBondContact O-CB 3.43Å; G514-S517 PolarHBondContact O-N 2.6Å; G514-L518 PolarHBondContact O-N 2.66Å
515K92.1Very high90.4Very high9 Ų924.5 Ų24.54%0.03916%0.156CC..Hα-helixtrans-50.9-51.1178.4-52.7-164-65.2-78.30113.7L507 V508 G509 N510 V513 S517 L518 L519 D557 T558 L581L507-K515 HydrophobicContact CB-CD 4.48Å; L507-K515 HydrophobicContact CD2-CB 4.46Å; V508-K515 VanDerWaalsContact C-CD 3.44Å; V508-K515 WeakPolarHBondContact O-CD 3.42Å; G509-K515 PolarHBondContact O-NZ 3.41Å; N510-K515 PolarHBondContact O-NZ 3Å; V513-K515 HydrophobicContact CG2-CD 4.4Å; V513-K515 HydrophobicContact CG2-CG 3.67Å; K515-S517 VanDerWaalsContact C-N 3.3Å; K515-S517 PolarHBondContact O-N 2.69Å; K515-L518 WeakPolarHBondContact O-CB 3.44Å; K515-L518 PolarHBondContact O-N 3.35Å; K515-L518 VanDerWaalsContact O-N 3.12Å; K515-L519 PolarHBondContact O-N 2.99Å; K515-D557 WeakPolarHBondContact CB-OD1 3.35Å; K515-T558 WeakPolarHBondContact CE-O 3.48Å; K515-T558 PolarHBondContact NZ-O 3.32Å; K515-L581 HydrophobicContact CB-CD1 4.5Å; K515-L581 HydrophobicContact CB-CD2 4.32Å; K515-L581 HydrophobicContact CD-CD1 4.35Å; K515-L581 HydrophobicContact CG-CB 4.15Å; K515-L581 HydrophobicContact CG-CD1 4.01Å; K515-L581 HydrophobicContact CG-CD2 4.02Å; K515-L581 HydrophobicContact CG-CG 4.28Å
516T91.3Very high89.8Confident13 Ų1333.6 Ų33.68%0.0819%0.19CC..Hα-helixtrans-61-38.6175.9-350000112.1G514 L519 R520 T531 T534 D557G514-T516 PolarHBondContact O-N 2.85Å; T516-L519 PolarHBondContact O-N 2.81Å; T516-R520 WeakPolarHBondContact O-CB 3.38Å; T516-R520 WeakPolarHBondContact O-CG 3.34Å; T516-R520 PolarHBondContact O-N 3.36Å; T516-T531 HydrophobicContact CG2-CG2 4.25Å; T516-T534 PolarHBondContact OG1-OG1 3.02Å; T516-D557 WeakPolarHBondContact CA-OD2 3.45Å; T516-D557 VanDerWaalsContact CB-OD2 3.29Å; T516-D557 WeakPolarHBondContact CB-OD2 3.33Å; T516-D557 WeakPolarHBondContact CG2-OD2 3.42Å; T516-D557 PolarHBondContact N-OD1 3.44Å; T516-D557 PolarHBondContact OG1-OD2 3.39Å
517S92.4Very high89.3Confident11 Ų1136.7 Ų36.78%0.07720%0.204CC..Hα-helixtrans-69.7-31.7176.2-52.70000112.1G514 K515 S521 T531G514-S517 CarbonylContact O-C 3.58Å; G514-S517 WeakPolarHBondContact O-CA 3.45Å; G514-S517 WeakPolarHBondContact O-CB 3.43Å; G514-S517 PolarHBondContact O-N 2.6Å; K515-S517 VanDerWaalsContact C-N 3.3Å; K515-S517 PolarHBondContact O-N 2.69Å; S517-S521 WeakPolarHBondContact O-CB 3.37Å; S517-S521 PolarHBondContact O-N 2.99Å; S517-T531 PolarHBondContact OG-OG1 3.46Å
518L93.3Very high88.8Confident0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-67.8-49.7172.1-175.874.9000111L507 G514 K515 R520 S521 F522 L581 L613 V644 T646 V652L507-L518 HydrophobicContact CD2-CD2 4.3Å; G514-L518 PolarHBondContact O-N 2.66Å; K515-L518 WeakPolarHBondContact O-CB 3.44Å; K515-L518 PolarHBondContact O-N 3.35Å; K515-L518 VanDerWaalsContact O-N 3.12Å; L518-R520 PolarHBondContact O-N 2.95Å; L518-S521 PolarHBondContact O-N 3.44Å; L518-F522 WeakPolarHBondContact O-CB 3.39Å; L518-F522 PolarHBondContact O-N 3.09Å; L518-L581 HydrophobicContact CB-CD2 4.14Å; L518-L581 HydrophobicContact CD2-CD1 4.24Å; L518-L581 HydrophobicContact CD2-CD2 3.81Å; L518-L581 HydrophobicContact CD2-CG 4.32Å; L518-L613 HydrophobicContact CD2-CD1 3.45Å; L518-L613 VanDerWaalsContact CD2-CD1 3.45Å; L518-V644 HydrophobicContact CD1-CG2 4.41Å; L518-T646 VanDerWaalsContact CA-CG2 3.47Å; L518-T646 HydrophobicContact CB-CG2 3.67Å; L518-T646 HydrophobicContact CD1-CG2 3.7Å; L518-T646 HydrophobicContact CG-CG2 4.32Å; L518-V652 HydrophobicContact CD1-CB 4.19Å; L518-V652 HydrophobicContact CD1-CG1 3.68Å; L518-V652 HydrophobicContact CD1-CG2 3.8Å
519L92.3Very high87.9Confident7 Ų745.5 Ų45.54%0.03725%0.254CS..Hα-helixtrans-57.4-48.1177.7178.7156.5000111L507 K515 T516 F522 C523 L555 D557L507-L519 HydrophobicContact CD2-CB 4.24Å; K515-L519 PolarHBondContact O-N 2.99Å; T516-L519 PolarHBondContact O-N 2.81Å; L519-F522 PolarHBondContact O-N 2.99Å; L519-C523 WeakPolarHBondContact O-CB 3.49Å; L519-C523 PolarHBondContact O-N 3.24Å; L519-C523 PolarHBondContact O-SG 2.98Å; L519-L555 HydrophobicContact CD1-CB 3.77Å; L519-L555 HydrophobicContact CG-CB 4.26Å; L519-L555 HydrophobicContact CG-CD1 4.35Å; L519-D557 HydrophobicContact CD1-CB 3.82Å
520R90.1Very high87.1Confident63 Ų6350.3 Ų50.324%0.23829%0.288CS..Hα-helixtrans-63.4-47.6175.6-71.9-178.5-167.9165.94.4112.3T516 L518 F522 C523 E524T516-R520 WeakPolarHBondContact O-CB 3.38Å; T516-R520 WeakPolarHBondContact O-CG 3.34Å; T516-R520 PolarHBondContact O-N 3.36Å; L518-R520 PolarHBondContact O-N 2.95Å; R520-F522 VanDerWaalsContact C-N 3.29Å; R520-F522 PolarHBondContact O-N 3.4Å; R520-C523 PolarHBondContact O-N 3.24Å; R520-E524 VanDerWaalsContact O-CB 3.25Å; R520-E524 WeakPolarHBondContact O-CB 3.34Å; R520-E524 WeakPolarHBondContact O-CG 3.21Å; R520-E524 PolarHBondContact O-N 2.93Å
521S91.2Very high86.4Confident7 Ų750.9 Ų50.95%0.04929%0.292CS..Hα-helixtrans-58.4-39179-172.10000112.5S517 L518 G525 R526 T646S517-S521 WeakPolarHBondContact O-CB 3.37Å; S517-S521 PolarHBondContact O-N 2.99Å; L518-S521 PolarHBondContact O-N 3.44Å; S521-G525 WeakPolarHBondContact O-CA 3.44Å; S521-G525 PolarHBondContact O-N 2.93Å; S521-R526 WeakPolarHBondContact CA-O 3.27Å; S521-T646 PolarHBondContact OG-O 3.41Å
522F91.8Very high85.9Confident6 Ų653.4 Ų53.43%0.02631%0.306CS..Hα-helixtrans-73.9-41.8175.8-178.8-112.5000113.6L518 L519 R520 K542 L544 M553 L555 V652 T653 L656L518-F522 WeakPolarHBondContact O-CB 3.39Å; L518-F522 PolarHBondContact O-N 3.09Å; L519-F522 PolarHBondContact O-N 2.99Å; R520-F522 VanDerWaalsContact C-N 3.29Å; R520-F522 PolarHBondContact O-N 3.4Å; F522-K542 HydrophobicContact CD1-CB 4.1Å; F522-K542 HydrophobicContact CD1-CG 3.97Å; F522-K542 HydrophobicContact CE1-CB 3.65Å; F522-K542 HydrophobicContact CE1-CG 3.53Å; F522-K542 HydrophobicContact CZ-CG 4.02Å; F522-K542 WeakPolarHBondContact O-CE 3.45Å; F522-K542 PolarHBondContact O-NZ 2.82Å; F522-L544 HydrophobicContact CE2-CD2 4.37Å; F522-L544 HydrophobicContact CZ-CD1 4.22Å; F522-L544 HydrophobicContact CZ-CD2 3.93Å; F522-L544 HydrophobicContact CZ-CG 4.38Å; F522-M553 HydrophobicContact CE1-SD 4.24Å; F522-M553 HydrophobicContact CZ-SD 4.04Å; F522-L555 HydrophobicContact CD1-CD1 3.58Å; F522-L555 HydrophobicContact CE1-CD1 3.88Å; F522-V652 HydrophobicContact CB-CG1 3.93Å; F522-V652 HydrophobicContact CD2-CG1 4.45Å; F522-T653 HydrophobicContact CE2-CG2 4.22Å; F522-L656 HydrophobicContact CB-CD1 3.83Å; F522-L656 HydrophobicContact CD1-CD1 3.76Å; F522-L656 HydrophobicContact CD2-CB 4.13Å; F522-L656 HydrophobicContact CD2-CD1 3.57Å; F522-L656 HydrophobicContact CD2-CG 4.47Å; F522-L656 HydrophobicContact CE1-CB 4.37Å; F522-L656 HydrophobicContact CE1-CD1 4.06Å; F522-L656 HydrophobicContact CE2-CB 3.63Å; F522-L656 HydrophobicContact CE2-CD1 3.92Å; F522-L656 HydrophobicContact CE2-CG 4.43Å; F522-L656 HydrophobicContact CG-CD1 3.45Å; F522-L656 VanDerWaalsContact CG-CD1 3.45Å; F522-L656 HydrophobicContact CZ-CB 3.74Å; F522-L656 HydrophobicContact CZ-CD1 4.13Å
523C88.8Confident85.6Confident26 Ų2652.5 Ų52.518%0.17630%0.304CS..Hα-helixtrans-72.7-45.1180-73.60000112.7L519 R520 S540 K542L519-C523 WeakPolarHBondContact O-CB 3.49Å; L519-C523 PolarHBondContact O-N 3.24Å; L519-C523 PolarHBondContact O-SG 2.98Å; R520-C523 PolarHBondContact O-N 3.24Å; C523-S540 PolarHBondContact SG-OG 3.49Å; C523-K542 PolarHBondContact O-NZ 3.06Å
524E86.8Confident84.8Confident102 Ų10253.8 Ų53.848%0.47731%0.312SS..Hα-helixtrans-99.3-16.6-170.4-55.3167.9169.600113.3R520 R526 H528R520-E524 VanDerWaalsContact O-CB 3.25Å; R520-E524 WeakPolarHBondContact O-CB 3.34Å; R520-E524 WeakPolarHBondContact O-CG 3.21Å; R520-E524 PolarHBondContact O-N 2.93Å; E524-R526 VanDerWaalsContact C-N 3.31Å; E524-R526 PolarHBondContact O-N 3.47Å; E524-H528 IonicContact OE2-CE1 2.69Å; E524-H528 PolarHBondContact OE2-CE1 2.96Å; E524-H528 IonicContact OE2-ND1 2.73Å; E524-H528 PolarHBondContact OE2-ND1 2.85Å
525G81.6Confident84.2Confident61 Ų6160 Ų6063%0.62935%0.347SS*.SBendtrans73.815.9-177.400000114.6S521S521-G525 WeakPolarHBondContact O-CA 3.44Å; S521-G525 PolarHBondContact O-N 2.93Å
526R80.3Confident83.3Confident191 Ų19161.7 Ų61.772%0.72137%0.367SS*.SBendtrans-144.8147.4-175.3-63.4-174179.9-174.6-0.9112.1S521 E524S521-R526 WeakPolarHBondContact CA-O 3.27Å; E524-R526 VanDerWaalsContact C-N 3.31Å; E524-R526 PolarHBondContact O-N 3.47Å
527F83.1Confident82.9Confident66 Ų6664 Ų6429%0.28938%0.378SS..  trans-82.6140.4171-178.4-106.1000111.6P529 T646 Y647F527-P529 HydrophobicContact CE1-CB 3.88Å; F527-T646 WeakPolarHBondContact CB-O 3.39Å; F527-T646 VanDerWaalsContact CD2-O 3.28Å; F527-T646 WeakPolarHBondContact CD2-O 3.28Å; F527-Y647 AromaticContact CD1-CD2 3.59Å; F527-Y647 HydrophobicContact CD1-CD2 3.59Å; F527-Y647 HydrophobicContact CD1-CE2 4.2Å; F527-Y647 AromaticContact CE1-CD2 3.75Å; F527-Y647 HydrophobicContact CE1-CD2 3.75Å; F527-Y647 HydrophobicContact CE1-CE2 4.39Å; F527-Y647 HydrophobicContact CG-CD2 4.15Å; F527-Y647 HydrophobicContact CZ-CD2 4.44Å
528H80.6Confident82.5Confident80 Ų8066.6 Ų66.637%0.3739%0.391SS..  trans-118.5110.7175-78.4110.6000109.5E524 S530 T531E524-H528 IonicContact OE2-CE1 2.69Å; E524-H528 PolarHBondContact OE2-CE1 2.96Å; E524-H528 IonicContact OE2-ND1 2.73Å; E524-H528 PolarHBondContact OE2-ND1 2.85Å; H528-S530 PolarHBondContact O-N 3.34Å; H528-T531 PolarHBondContact O-OG1 3.06Å; H528-T531 VanDerWaalsContact O-OG1 3.11Å
529P73Confident82.3Confident108 Ų10871.6 Ų71.670%0.70141%0.41SS*.SBendtrans-70.4-29.1-175.226-33.6000113.4F527 T531F527-P529 HydrophobicContact CE1-CB 3.88Å; P529-T531 PolarHBondContact O-N 3.32Å
530S72.4Confident82.2Confident101 Ų10172.8 Ų72.871%0.70642%0.419SS*.  trans-8348.3179.745.70000113.2H528 T532H528-S530 PolarHBondContact O-N 3.34Å; S530-T532 PolarHBondContact O-N 3.15Å
531T74.8Confident82.3Confident45 Ų4572.9 Ų72.928%0.27643%0.427SS..  trans-78.6106.2174.3-64.70000110.4T516 S517 H528 P529T516-T531 HydrophobicContact CG2-CG2 4.25Å; S517-T531 PolarHBondContact OG-OG1 3.46Å; H528-T531 PolarHBondContact O-OG1 3.06Å; H528-T531 VanDerWaalsContact O-OG1 3.11Å; P529-T531 PolarHBondContact O-N 3.32Å
532T77Confident82.3Confident110 Ų11075.5 Ų75.568%0.67544%0.437SS*.PPolyproline II helixtrans-70.3158.816948.70000111.5S530 T534S530-T532 PolarHBondContact O-N 3.15Å; T532-T534 PolarHBondContact O-N 2.76Å
533A80.8Confident82.3Confident80 Ų8078.6 Ų78.666%0.66146%0.457SS*.PPolyproline II helixtrans-66123.8177.700000111.5V535A533-V535 PolarHBondContact O-N 3.28Å
534T77Confident82.4Confident29 Ų2978.3 Ų78.318%0.17845%0.453CS..PPolyproline II helixtrans-58.5122.8178.1-53.40000111.3T516 T532 D557 A559T516-T534 PolarHBondContact OG1-OG1 3.02Å; T532-T534 PolarHBondContact O-N 2.76Å; T534-D557 PolarHBondContact OG1-OD2 3.46Å; T534-D557 VanDerWaalsContact OG1-OD2 3.13Å; T534-A559 WeakPolarHBondContact O-CB 3.43Å
535V76.8Confident82.6Confident145 Ų14578.2 Ų78.288%0.87946%0.46SS*.  trans-100.9108.9174179.90000108.2A533A533-V535 PolarHBondContact O-N 3.28Å
536G75.1Confident82.9Confident44 Ų4476 Ų7645%0.45443%0.434SS..SBendtrans88.1-124.1-175.500000112.4A559G536-A559 WeakPolarHBondContact O-CB 3.35Å; G536-A559 PolarHBondContact O-N 3.47Å
537I81.5Confident83.1Confident62 Ų6272.6 Ų72.632%0.31843%0.43SS..EExtended strand (participates in β ladder)trans-141.3133.8-176.5-63.2-178.2000108.2W556 D557 T558 F571I537-W556 HydrophobicContact CG2-CE3 4.04Å; I537-D557 VanDerWaalsContact CA-O 3.29Å; I537-D557 WeakPolarHBondContact CA-O 3.39Å; I537-D557 WeakPolarHBondContact CG2-O 3.33Å; I537-T558 HydrophobicContact CD1-CG2 4.33Å; I537-T558 HydrophobicContact CG1-CG2 4.46Å; I537-F571 HydrophobicContact CD1-CD1 3.54Å; I537-F571 HydrophobicContact CD1-CD2 3.49Å; I537-F571 VanDerWaalsContact CD1-CD2 3.49Å; I537-F571 HydrophobicContact CD1-CE1 3.49Å; I537-F571 VanDerWaalsContact CD1-CE1 3.49Å; I537-F571 HydrophobicContact CD1-CE2 3.44Å; I537-F571 VanDerWaalsContact CD1-CE2 3.44Å; I537-F571 HydrophobicContact CD1-CG 3.55Å; I537-F571 HydrophobicContact CD1-CZ 3.45Å; I537-F571 VanDerWaalsContact CD1-CZ 3.45Å
538D85Confident83.1Confident65 Ų6577.2 Ų77.235%0.34846%0.458SS..EExtended strand (participates in β ladder)trans-104.2152.4175.3-161.31.1000110.1D557D538-D557 HydrophobicContact CB-CB 4.31Å; D538-D557 PolarHBondContact N-O 2.99Å; D538-D557 PolarHBondContact O-N 3.05Å
539Y87.8Confident83.5Confident105 Ų10576 Ų7641%0.41245%0.453SS..EExtended strand (participates in β ladder)trans-136127-172.1170.8-91.7000110.9V541 Q554 L555 W556Y539-V541 HydrophobicContact CE1-CG2 3.66Å; Y539-V541 HydrophobicContact CE2-CG2 4.45Å; Y539-V541 WeakPolarHBondContact OH-CG2 3.25Å; Y539-Q554 HydrophobicContact CE2-CB 3.94Å; Y539-Q554 HydrophobicContact CE2-CG 4.07Å; Y539-Q554 PolarHBondContact OH-NE2 2.93Å; Y539-L555 WeakPolarHBondContact CA-O 3.45Å; Y539-W556 AromaticContact CD2-CD2 3.94Å; Y539-W556 HydrophobicContact CD2-CD2 3.94Å; Y539-W556 AromaticContact CD2-CE2 3.6Å; Y539-W556 HydrophobicContact CD2-CE3 4.37Å; Y539-W556 HydrophobicContact CD2-CG 4.43Å; Y539-W556 HydrophobicContact CD2-CH2 4.22Å; Y539-W556 AromaticContact CD2-CZ2 3.77Å; Y539-W556 HydrophobicContact CD2-CZ2 3.77Å; Y539-W556 AromaticContact CD2-NE1 3.88Å; Y539-W556 AromaticContact CE2-CE2 3.81Å; Y539-W556 AromaticContact CE2-CZ2 3.8Å; Y539-W556 HydrophobicContact CE2-CZ2 3.8Å; Y539-W556 AromaticContact CE2-NE1 3.85Å
540S90.4Very high84.3Confident32 Ų3273.6 Ų73.622%0.22443%0.432CS..EExtended strand (participates in β ladder)trans-138.8157.1176.3-162.10000111.3C523 L555C523-S540 PolarHBondContact SG-OG 3.49Å; S540-L555 PolarHBondContact N-O 2.74Å; S540-L555 PolarHBondContact O-N 3.21Å
541V91.9Very high85.3Confident66 Ų6668.8 Ų68.840%0.440%0.398SS..EExtended strand (participates in β ladder)trans-125.3128.6177.7-173.10000109.2Y539 A552 M553 Q554Y539-V541 HydrophobicContact CE1-CG2 3.66Å; Y539-V541 HydrophobicContact CE2-CG2 4.45Å; Y539-V541 WeakPolarHBondContact OH-CG2 3.25Å; V541-A552 HydrophobicContact CG1-CB 4.05Å; V541-M553 WeakPolarHBondContact CA-O 3.36Å; V541-Q554 HydrophobicContact CG2-CG 4.35Å
542K92.4Very high86.1Confident61 Ų6166.8 Ų66.827%0.26539%0.387SS..EExtended strand (participates in β ladder)trans-121.8117.7173.8-172.165.1158.5-169.20109.4F522 C523 L544 M553F522-K542 HydrophobicContact CD1-CB 4.1Å; F522-K542 HydrophobicContact CD1-CG 3.97Å; F522-K542 HydrophobicContact CE1-CB 3.65Å; F522-K542 HydrophobicContact CE1-CG 3.53Å; F522-K542 HydrophobicContact CZ-CG 4.02Å; F522-K542 WeakPolarHBondContact O-CE 3.45Å; F522-K542 PolarHBondContact O-NZ 2.82Å; C523-K542 PolarHBondContact O-NZ 3.06Å; K542-L544 HydrophobicContact CG-CD2 4.23Å; K542-M553 PolarHBondContact N-O 2.84Å; K542-M553 PolarHBondContact O-N 3.5Å
543T91.9Very high87Confident71 Ų7161.6 Ų61.644%0.43636%0.355SS..EExtended strand (participates in β ladder)trans-79.7128.5168.5-46.90000109.3Q550 I551T543-Q550 HydrophobicContact CG2-CB 4.09Å; T543-I551 CarbonylContact C-O 3.43Å; T543-I551 WeakPolarHBondContact CA-O 3.48Å
544L91.1Very high87.6Confident20 Ų2059.5 Ų59.511%0.10533%0.331CS..EExtended strand (participates in β ladder)trans-109.5149.3167.5-60.5-176.1000109.3F522 K542 L546 Q550 I551 M553 A660F522-L544 HydrophobicContact CE2-CD2 4.37Å; F522-L544 HydrophobicContact CZ-CD1 4.22Å; F522-L544 HydrophobicContact CZ-CD2 3.93Å; F522-L544 HydrophobicContact CZ-CG 4.38Å; K542-L544 HydrophobicContact CG-CD2 4.23Å; L544-L546 HydrophobicContact CB-CG 4.22Å; L544-L546 HydrophobicContact CD1-CD1 4.3Å; L544-Q550 WeakPolarHBondContact O-CA 3.45Å; L544-I551 PolarHBondContact N-O 2.85Å; L544-I551 PolarHBondContact O-N 3.29Å; L544-M553 HydrophobicContact CD1-CG 4.49Å; L544-M553 HydrophobicContact CD1-SD 3.64Å; L544-M553 HydrophobicContact CG-SD 4.28Å; L544-A660 HydrophobicContact CD1-CB 3.98Å
545T89.9Confident88.4Confident100 Ų10058.2 Ų58.261%0.61332%0.323SS*.EExtended strand (participates in β ladder)trans-105.9110.1167.5-50.10000108.3M549T545-M549 CarbonylContact C-O 3.55Å; T545-M549 VanDerWaalsContact CA-O 3.32Å; T545-M549 WeakPolarHBondContact CA-O 3.49Å
546L88.8Confident89.1Confident15 Ų1554.4 Ų54.48%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-126.3130.1178.6-54.5176.5000108.7L544 N548 M549 I551 T657 A660 R661 M664L544-L546 HydrophobicContact CB-CG 4.22Å; L544-L546 HydrophobicContact CD1-CD1 4.3Å; L546-N548 PolarHBondContact O-N 3.02Å; L546-N548 VanDerWaalsContact O-N 3.11Å; L546-M549 PolarHBondContact N-O 3.34Å; L546-M549 PolarHBondContact O-N 3.44Å; L546-I551 HydrophobicContact CB-CD1 3.73Å; L546-I551 HydrophobicContact CD1-CD1 4.22Å; L546-I551 HydrophobicContact CG-CD1 4.08Å; L546-T657 HydrophobicContact CD1-CG2 4.21Å; L546-T657 HydrophobicContact CD2-CG2 3.54Å; L546-A660 HydrophobicContact CD1-CB 3.71Å; L546-R661 HydrophobicContact CD1-CG 4.09Å; L546-M664 HydrophobicContact CB-SD 4.18Å; L546-M664 HydrophobicContact CD1-SD 4.25Å
547D83.6Confident89.7Confident120 Ų12052.3 Ų52.364%0.64227%0.272SS*.THydrogen-bonded Turntrans51.939.7174.6-49.5-44.4000113.2M549D547-M549 PolarHBondContact O-N 2.95Å
548N83.9Confident89.9Confident163 Ų16349.7 Ų49.787%0.87226%0.259SS*.THydrogen-bonded Turntrans66.71.7-174.4-57-41.6000116.9L546L546-N548 PolarHBondContact O-N 3.02Å; L546-N548 VanDerWaalsContact O-N 3.11Å
549M87.6Confident89.5Confident54 Ų5447.9 Ų47.927%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-91.3150.1170.9-55.5-170.875.700111.4D500 R501 T545 L546 D547 I551 M664D500-M549 HydrophobicContact CB-CB 4.44Å; D500-M549 HydrophobicContact CB-CE 3.56Å; R501-M549 HydrophobicContact CG-CE 4.16Å; R501-M549 VanDerWaalsContact NE-CE 3.33Å; R501-M549 PolarHBondContact NE-SD 2.93Å; R501-M549 VanDerWaalsContact NE-SD 3.39Å; R501-M549 PolarHBondContact NH2-SD 2.94Å; R501-M549 VanDerWaalsContact NH2-SD 3.45Å; T545-M549 CarbonylContact C-O 3.55Å; T545-M549 VanDerWaalsContact CA-O 3.32Å; T545-M549 WeakPolarHBondContact CA-O 3.49Å; L546-M549 PolarHBondContact N-O 3.34Å; L546-M549 PolarHBondContact O-N 3.44Å; D547-M549 PolarHBondContact O-N 2.95Å; M549-I551 HydrophobicContact CB-CD1 4.15Å; M549-M664 HydrophobicContact SD-CE 4.08Å
550Q90.7Very high88.2Confident57 Ų5743.3 Ų43.327%0.26624%0.238SC..EExtended strand (participates in β ladder)trans-98117.5169.4-66-168.741.100110.5P499 D500 R501 T543 L544P499-Q550 CarbonylContact C-O 3.42Å; P499-Q550 WeakPolarHBondContact CA-O 3.24Å; P499-Q550 WeakPolarHBondContact CB-O 3.41Å; D500-Q550 PolarHBondContact N-O 3.32Å; D500-Q550 PolarHBondContact OD2-N 3.25Å; R501-Q550 PolarHBondContact N-O 3.44Å; T543-Q550 HydrophobicContact CG2-CB 4.09Å; L544-Q550 WeakPolarHBondContact O-CA 3.45Å
551I92.7Very high86.8Confident0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-112.9121.9-178.7-60104.6000109.4R501 F503 T543 L544 L546 M549 M664R501-I551 HydrophobicContact CB-CG1 4.09Å; R501-I551 HydrophobicContact CB-CG2 4.35Å; F503-I551 HydrophobicContact CD2-CG2 3.45Å; F503-I551 VanDerWaalsContact CD2-CG2 3.45Å; F503-I551 HydrophobicContact CE2-CG2 3.67Å; T543-I551 CarbonylContact C-O 3.43Å; T543-I551 WeakPolarHBondContact CA-O 3.48Å; L544-I551 PolarHBondContact N-O 2.85Å; L544-I551 PolarHBondContact O-N 3.29Å; L546-I551 HydrophobicContact CB-CD1 3.73Å; L546-I551 HydrophobicContact CD1-CD1 4.22Å; L546-I551 HydrophobicContact CG-CD1 4.08Å; M549-I551 HydrophobicContact CB-CD1 4.15Å; I551-M664 HydrophobicContact CD1-CE 4.02Å; I551-M664 HydrophobicContact CD1-SD 3.51Å; I551-M664 VanDerWaalsContact CD1-SD 3.51Å; I551-M664 HydrophobicContact CG1-CG 4.36Å; I551-M664 HydrophobicContact CG1-SD 3.99Å
552A93.5Very high85.1Confident4 Ų445.3 Ų45.33%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-89.8111.6171.800000110.5P499 R501 L502 F503 V541P499-A552 HydrophobicContact CB-CB 3.79Å; P499-A552 HydrophobicContact CG-CB 3.73Å; R501-A552 PolarHBondContact O-N 3.35Å; L502-A552 WeakPolarHBondContact CA-O 3.44Å; L502-A552 HydrophobicContact CD1-CB 3.63Å; F503-A552 PolarHBondContact N-O 3.32Å; V541-A552 HydrophobicContact CG1-CB 4.05Å
553M94.2Very high83.4Confident0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-85115.6168.4-60.5-176.381.900109.3V505 F522 V541 K542 L544 L555 A660V505-M553 HydrophobicContact CG2-CE 4.04Å; F522-M553 HydrophobicContact CE1-SD 4.24Å; F522-M553 HydrophobicContact CZ-SD 4.04Å; V541-M553 WeakPolarHBondContact CA-O 3.36Å; K542-M553 PolarHBondContact N-O 2.84Å; K542-M553 PolarHBondContact O-N 3.5Å; L544-M553 HydrophobicContact CD1-CG 4.49Å; L544-M553 HydrophobicContact CD1-SD 3.64Å; L544-M553 HydrophobicContact CG-SD 4.28Å; M553-L555 HydrophobicContact CB-CD2 4.16Å; M553-L555 HydrophobicContact CE-CD2 4.42Å; M553-A660 HydrophobicContact CE-CB 4.19Å; M553-A660 HydrophobicContact SD-CB 3.93Å
554Q94.2Very high81.6Confident37 Ų3752.5 Ų52.517%0.17326%0.259CS..EExtended strand (participates in β ladder)trans-84.4111.9166.1-64.5-173.8-9.300108.9L502 F503 V505 Y539 V541L502-Q554 HydrophobicContact CD1-CG 3.83Å; L502-Q554 HydrophobicContact CG-CG 4.47Å; F503-Q554 PolarHBondContact O-N 3.01Å; V505-Q554 PolarHBondContact N-O 3.2Å; V505-Q554 VanDerWaalsContact O-O 3.13Å; Y539-Q554 HydrophobicContact CE2-CB 3.94Å; Y539-Q554 HydrophobicContact CE2-CG 4.07Å; Y539-Q554 PolarHBondContact OH-NE2 2.93Å; V541-Q554 HydrophobicContact CG2-CG 4.35Å
555L93.1Very high79.9Confident1 Ų156.9 Ų56.91%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-100.1121.5-179.2-56.7-178.6000110V505 L507 L519 F522 Y539 S540 M553V505-L555 HydrophobicContact CB-CD2 4.06Å; V505-L555 HydrophobicContact CG1-CD2 4.26Å; L507-L555 HydrophobicContact CD1-CB 4.11Å; L507-L555 HydrophobicContact CD1-CD2 4.4Å; L519-L555 HydrophobicContact CD1-CB 3.77Å; L519-L555 HydrophobicContact CG-CB 4.26Å; L519-L555 HydrophobicContact CG-CD1 4.35Å; F522-L555 HydrophobicContact CD1-CD1 3.58Å; F522-L555 HydrophobicContact CE1-CD1 3.88Å; Y539-L555 WeakPolarHBondContact CA-O 3.45Å; S540-L555 PolarHBondContact N-O 2.74Å; S540-L555 PolarHBondContact O-N 3.21Å; M553-L555 HydrophobicContact CB-CD2 4.16Å; M553-L555 HydrophobicContact CE-CD2 4.42Å
556W91.1Very high78.3Confident66 Ų6656.7 Ų56.725%0.2528%0.277CS..EExtended strand (participates in β ladder)trans-109.7103.6179.1-62.671.8000109.2K504 V505 V506 L507 I537 Y539K504-W556 HydrophobicContact CD-CZ2 4.22Å; V505-W556 PolarHBondContact O-N 3.07Å; V506-W556 HydrophobicContact CG1-CB 4.43Å; V506-W556 HydrophobicContact CG2-CB 4.41Å; L507-W556 PolarHBondContact N-O 2.94Å; I537-W556 HydrophobicContact CG2-CE3 4.04Å; Y539-W556 AromaticContact CD2-CD2 3.94Å; Y539-W556 HydrophobicContact CD2-CD2 3.94Å; Y539-W556 AromaticContact CD2-CE2 3.6Å; Y539-W556 HydrophobicContact CD2-CE3 4.37Å; Y539-W556 HydrophobicContact CD2-CG 4.43Å; Y539-W556 HydrophobicContact CD2-CH2 4.22Å; Y539-W556 AromaticContact CD2-CZ2 3.77Å; Y539-W556 HydrophobicContact CD2-CZ2 3.77Å; Y539-W556 AromaticContact CD2-NE1 3.88Å; Y539-W556 AromaticContact CE2-CE2 3.81Å; Y539-W556 AromaticContact CE2-CZ2 3.8Å; Y539-W556 HydrophobicContact CE2-CZ2 3.8Å; Y539-W556 AromaticContact CE2-NE1 3.85Å
557D89.4Confident76.9Confident0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-84.4121.7175.2177.346.1000110.3K515 T516 L519 T534 I537 D538K515-D557 WeakPolarHBondContact CB-OD1 3.35Å; T516-D557 WeakPolarHBondContact CA-OD2 3.45Å; T516-D557 VanDerWaalsContact CB-OD2 3.29Å; T516-D557 WeakPolarHBondContact CB-OD2 3.33Å; T516-D557 WeakPolarHBondContact CG2-OD2 3.42Å; T516-D557 PolarHBondContact N-OD1 3.44Å; T516-D557 PolarHBondContact OG1-OD2 3.39Å; L519-D557 HydrophobicContact CD1-CB 3.82Å; T534-D557 PolarHBondContact OG1-OD2 3.46Å; T534-D557 VanDerWaalsContact OG1-OD2 3.13Å; I537-D557 VanDerWaalsContact CA-O 3.29Å; I537-D557 WeakPolarHBondContact CA-O 3.39Å; I537-D557 WeakPolarHBondContact CG2-O 3.33Å; D538-D557 HydrophobicContact CB-CB 4.31Å; D538-D557 PolarHBondContact N-O 2.99Å; D538-D557 PolarHBondContact O-N 3.05Å
558T85.1Confident75.9Confident7 Ų756.3 Ų56.34%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-96.6137.1-179.361.20000111.9V506 L507 V508 K515 I537 G560V506-T558 HydrophobicContact CG1-CG2 3.93Å; L507-T558 PolarHBondContact O-N 3.36Å; L507-T558 PolarHBondContact O-OG1 3.02Å; V508-T558 HydrophobicContact CG1-CG2 4.44Å; K515-T558 WeakPolarHBondContact CE-O 3.48Å; K515-T558 PolarHBondContact NZ-O 3.32Å; I537-T558 HydrophobicContact CD1-CG2 4.33Å; I537-T558 HydrophobicContact CG1-CG2 4.46Å; T558-G560 PolarHBondContact O-N 3.48Å; T558-G560 VanDerWaalsContact O-N 3.09Å
559A76.1Confident75.3Confident26 Ų2651.9 Ų51.922%0.21525%0.247CC..PPolyproline II helixtrans-53.1120.4169.900000110.4T534 G536 Q561T534-A559 WeakPolarHBondContact O-CB 3.43Å; G536-A559 WeakPolarHBondContact O-CB 3.35Å; G536-A559 PolarHBondContact O-N 3.47Å; A559-Q561 PolarHBondContact O-N 2.92Å
560G61.4Low74.5Confident10 Ų1056.4 Ų56.410%0.10327%0.267CS..  trans-69.78.9-173.800000116.2N510 S511 T558 E562N510-G560 CarbonylContact C-O 3.59Å; S511-G560 PolarHBondContact N-O 3.14Å; T558-G560 PolarHBondContact O-N 3.48Å; T558-G560 VanDerWaalsContact O-N 3.09Å; G560-E562 PolarHBondContact O-N 3.06Å
561Q60.1Low73.7Confident68 Ų6856.3 Ų56.332%0.31827%0.266SS..  trans-74.995.8176-71.7-170.941.600110.3A559 R563 F564A559-Q561 PolarHBondContact O-N 2.92Å; Q561-R563 PolarHBondContact O-N 3.1Å; Q561-F564 HydrophobicContact CB-CD2 3.77Å; Q561-F564 HydrophobicContact CB-CE2 3.96Å; Q561-F564 PolarHBondContact O-N 3.37Å
562E57Low72.9Confident72 Ų7256.5 Ų56.534%0.33627%0.267SS..G310 helixtrans-35.8-28.4162.664-55108.600115.5G560 F564 R565G560-E562 PolarHBondContact O-N 3.06Å; E562-F564 PolarHBondContact O-N 3.23Å; E562-F564 VanDerWaalsContact O-N 3.15Å; E562-R565 WeakPolarHBondContact O-CG 3.49Å; E562-R565 PolarHBondContact O-N 3.1Å
563R55.8Low72.2Confident186 Ų18665.8 Ų65.870%0.70230%0.301SS*.G310 helixtrans-58.8-17.9172.9-65.3-172.8-61.9-177.53.2114.9Q561Q561-R563 PolarHBondContact O-N 3.1Å
564F53.9Low71.6Confident96 Ų9674.4 Ų74.442%0.42134%0.338SS..G310 helixtrans-108.723.4-177.2-57-68.7000115.2Q561 E562 S566 M567 T568Q561-F564 HydrophobicContact CB-CD2 3.77Å; Q561-F564 HydrophobicContact CB-CE2 3.96Å; Q561-F564 PolarHBondContact O-N 3.37Å; E562-F564 PolarHBondContact O-N 3.23Å; E562-F564 VanDerWaalsContact O-N 3.15Å; F564-S566 PolarHBondContact O-N 3.01Å; F564-M567 HydrophobicContact CB-CB 4.44Å; F564-M567 HydrophobicContact CB-SD 4.31Å; F564-M567 HydrophobicContact CD1-SD 3.97Å; F564-M567 HydrophobicContact CG-SD 4.38Å; F564-M567 WeakPolarHBondContact O-CB 3.5Å; F564-M567 PolarHBondContact O-N 3.23Å; F564-T568 PolarHBondContact O-N 3.01Å; F564-T568 PolarHBondContact O-OG1 2.65Å
565R57Low71.4Confident113 Ų11373 Ų7343%0.42633%0.333SS..Hα-helixtrans-46.4-32.7178.7-81.6167.2-179.2171.42.9115.1E562 T568E562-R565 WeakPolarHBondContact O-CG 3.49Å; E562-R565 PolarHBondContact O-N 3.1Å; R565-T568 PolarHBondContact O-N 3.29Å
566S56.1Low71.4Confident96 Ų9676.1 Ų76.167%0.67135%0.35SS*.Hα-helixtrans-67.3-34.9176520000113.6F564F564-S566 PolarHBondContact O-N 3.01Å
567M57.8Low71.5Confident109 Ų10973 Ų7354%0.53734%0.338SS..Hα-helixtrans-73.5-39.6175.2-62.7-178.768.100110.9F564 K569 Q570 F571F564-M567 HydrophobicContact CB-CB 4.44Å; F564-M567 HydrophobicContact CB-SD 4.31Å; F564-M567 HydrophobicContact CD1-SD 3.97Å; F564-M567 HydrophobicContact CG-SD 4.38Å; F564-M567 WeakPolarHBondContact O-CB 3.5Å; F564-M567 PolarHBondContact O-N 3.23Å; M567-K569 PolarHBondContact O-N 2.72Å; M567-K569 VanDerWaalsContact O-N 3.15Å; M567-Q570 PolarHBondContact O-N 2.95Å; M567-Q570 VanDerWaalsContact O-N 3.09Å; M567-F571 VanDerWaalsContact O-CD2 3.23Å; M567-F571 WeakPolarHBondContact O-CD2 3.25Å; M567-F571 VanDerWaalsContact O-CE2 3.3Å; M567-F571 WeakPolarHBondContact O-CE2 3.35Å
568T62.6Low71.7Confident17 Ų1773 Ų7310%0.10434%0.338CS..Hα-helixtrans-55.4-35.7-178.1-36.30000112.5V508 F564 R565 Q570 F571 F572 W596V508-T568 HydrophobicContact CG1-CG2 4.3Å; F564-T568 PolarHBondContact O-N 3.01Å; F564-T568 PolarHBondContact O-OG1 2.65Å; R565-T568 PolarHBondContact O-N 3.29Å; T568-Q570 PolarHBondContact O-N 3.13Å; T568-Q570 VanDerWaalsContact O-N 3.13Å; T568-F571 PolarHBondContact O-N 2.83Å; T568-F572 HydrophobicContact CG2-CE2 3.76Å; T568-F572 HydrophobicContact CG2-CZ 3.74Å; T568-F572 WeakPolarHBondContact O-CD2 3.46Å; T568-W596 HydrophobicContact CG2-CZ3 4.36Å
569K71.1Confident72.1Confident71 Ų7172.6 Ų72.631%0.30934%0.336SS..Hα-helixtrans-55.8-29.3178.7-70.9-167.8171.1179.90114.4M567 F571 E602 A603M567-K569 PolarHBondContact O-N 2.72Å; M567-K569 VanDerWaalsContact O-N 3.15Å; K569-F571 VanDerWaalsContact C-N 3.33Å; K569-F571 PolarHBondContact O-N 2.98Å; K569-E602 WeakPolarHBondContact CE-OE2 3.39Å; K569-E602 IonicContact NZ-OE1 3.58Å; K569-E602 PolarHBondContact NZ-OE1 3.49Å; K569-E602 IonicContact NZ-OE2 3.95Å; K569-E602 PolarHBondContact NZ-OE2 3Å; K569-A603 HydrophobicContact CB-CB 4.34Å; K569-A603 HydrophobicContact CG-CB 4.05Å
570Q72.1Confident73Confident148 Ų14871.4 Ų71.469%0.69233%0.326SS*.Hα-helixtrans-71.5-27.3177.7-64.6-172.5-8.500113.1M567 T568 R573M567-Q570 PolarHBondContact O-N 2.95Å; M567-Q570 VanDerWaalsContact O-N 3.09Å; T568-Q570 PolarHBondContact O-N 3.13Å; T568-Q570 VanDerWaalsContact O-N 3.13Å; Q570-R573 WeakPolarHBondContact O-CB 3.37Å
571F73Confident74.6Confident56 Ų5671 Ų7125%0.24632%0.321CS..Hα-helixtrans-86.6-24.3-173.4-60-79000113.2K504 I537 M567 T568 K569 R573K504-F571 PolarHBondContact NZ-O 2.73Å; I537-F571 HydrophobicContact CD1-CD1 3.54Å; I537-F571 HydrophobicContact CD1-CD2 3.49Å; I537-F571 VanDerWaalsContact CD1-CD2 3.49Å; I537-F571 HydrophobicContact CD1-CE1 3.49Å; I537-F571 VanDerWaalsContact CD1-CE1 3.49Å; I537-F571 HydrophobicContact CD1-CE2 3.44Å; I537-F571 VanDerWaalsContact CD1-CE2 3.44Å; I537-F571 HydrophobicContact CD1-CG 3.55Å; I537-F571 HydrophobicContact CD1-CZ 3.45Å; I537-F571 VanDerWaalsContact CD1-CZ 3.45Å; M567-F571 VanDerWaalsContact O-CD2 3.23Å; M567-F571 WeakPolarHBondContact O-CD2 3.25Å; M567-F571 VanDerWaalsContact O-CE2 3.3Å; M567-F571 WeakPolarHBondContact O-CE2 3.35Å; T568-F571 PolarHBondContact O-N 2.83Å; K569-F571 VanDerWaalsContact C-N 3.33Å; K569-F571 PolarHBondContact O-N 2.98Å; F571-R573 PolarHBondContact O-N 3.3Å
572F76.9Confident76.3Confident3 Ų367.8 Ų67.81%0.01331%0.306CS..SBendtrans-67.8-20.7169-59-56000113.2V506 V508 T568 K574 A575 V578 V600 A603 A604V506-F572 HydrophobicContact CG1-CD1 4.48Å; V506-F572 HydrophobicContact CG1-CE1 4.39Å; V508-F572 HydrophobicContact CG1-CE1 3.66Å; V508-F572 HydrophobicContact CG1-CZ 3.77Å; V508-F572 HydrophobicContact CG2-CE1 4.44Å; T568-F572 HydrophobicContact CG2-CE2 3.76Å; T568-F572 HydrophobicContact CG2-CZ 3.74Å; T568-F572 WeakPolarHBondContact O-CD2 3.46Å; F572-K574 PolarHBondContact O-N 2.92Å; F572-A575 WeakPolarHBondContact O-CB 3.42Å; F572-A575 PolarHBondContact O-N 3.5Å; F572-V578 HydrophobicContact CD1-CG2 4.23Å; F572-V578 HydrophobicContact CE1-CG1 4.39Å; F572-V578 HydrophobicContact CE1-CG2 4.47Å; F572-V600 HydrophobicContact CE1-CG2 3.76Å; F572-V600 HydrophobicContact CE2-CG2 4.46Å; F572-V600 HydrophobicContact CZ-CG2 3.71Å; F572-A603 HydrophobicContact CB-CB 4.07Å; F572-A603 HydrophobicContact CD2-CB 3.52Å; F572-A603 HydrophobicContact CE2-CB 4.34Å; F572-A603 HydrophobicContact CG-CB 4.19Å; F572-A604 HydrophobicContact CB-CB 3.96Å
573R77.7Confident78.2Confident200 Ų20064.4 Ų64.476%0.75529%0.29SS*.THydrogen-bonded Turntrans-62.2122.5176.9-167.2177-173.1178.33.2110.1K504 Q570 F571 A575K504-R573 PolarHBondContact NZ-O 2.96Å; Q570-R573 WeakPolarHBondContact O-CB 3.37Å; F571-R573 PolarHBondContact O-N 3.3Å; R573-A575 VanDerWaalsContact C-N 3.26Å; R573-A575 PolarHBondContact O-N 3.44Å
574K81.5Confident80.1Confident180 Ų18055.6 Ų55.678%0.78326%0.257SS*.THydrogen-bonded Turntrans51.444.1-169.2-53.6-176.9178.9-172.30112K504 F572K504-K574 WeakPolarHBondContact CD-O 3.37Å; K504-K574 VanDerWaalsContact NZ-C 3.3Å; K504-K574 PolarHBondContact NZ-O 2.96Å; F572-K574 PolarHBondContact O-N 2.92Å
575A90.1Very high82.1Confident8 Ų852 Ų527%0.06624%0.243CC..  trans-79.7145.7152.900000107.8V506 F572 R573 I608V506-A575 HydrophobicContact CG2-CB 3.88Å; F572-A575 WeakPolarHBondContact O-CB 3.42Å; F572-A575 PolarHBondContact O-N 3.5Å; R573-A575 VanDerWaalsContact C-N 3.26Å; R573-A575 PolarHBondContact O-N 3.44Å; A575-I608 WeakPolarHBondContact O-CD1 3.4Å
576D92.9Very high83.9Confident66 Ų6649 Ų4935%0.35324%0.237SC..SBendtrans-97.2-30.6173.2-51.7-58.2000109.7F503 K504 P609 L663F503-D576 WeakPolarHBondContact CA-OD2 3.4Å; F503-D576 HydrophobicContact CB-CB 4.39Å; F503-D576 HydrophobicContact CD1-CB 4.15Å; K504-D576 PolarHBondContact N-OD2 3.32Å; K504-D576 PolarHBondContact O-N 2.93Å; D576-P609 WeakPolarHBondContact O-CD 3.42Å; D576-L663 VanDerWaalsContact C-CD2 3.47Å; D576-L663 HydrophobicContact CB-CD2 4.21Å; D576-L663 WeakPolarHBondContact O-CD2 3.34Å
577G93.5Very high85.7Confident0 Ų046.6 Ų46.60%022%0.223CC..EExtended strand (participates in β ladder)trans-146.5163.7172.900000113.2K504 V505 V506K504-G577 PolarHBondContact O-N 3.37Å; V505-G577 WeakPolarHBondContact CA-O 3.42Å; V506-G577 PolarHBondContact N-O 3.41Å
578V93.6Very high87.4Confident0 Ų049 Ų490%023%0.233CC..EExtended strand (participates in β ladder)trans-132.6137.6178.4178.20000110.9V506 V508 F572 V600 I608 P609 I610 L611V506-V578 WeakPolarHBondContact O-CA 3.34Å; V508-V578 HydrophobicContact CG2-CG1 3.64Å; F572-V578 HydrophobicContact CD1-CG2 4.23Å; F572-V578 HydrophobicContact CE1-CG1 4.39Å; F572-V578 HydrophobicContact CE1-CG2 4.47Å; V578-V600 HydrophobicContact CB-CG1 4.24Å; V578-V600 HydrophobicContact CG1-CG1 4.2Å; V578-V600 HydrophobicContact CG1-CG2 3.98Å; V578-V600 HydrophobicContact CG2-CG1 3.95Å; V578-I608 HydrophobicContact CG2-CG2 4.23Å; V578-P609 PolarHBondContact N-O 3.42Å; V578-I610 WeakPolarHBondContact O-CA 3.39Å; V578-L611 PolarHBondContact O-N 3.38Å
579V94.8Very high88.8Confident0 Ų048.5 Ų48.50%023%0.23CC..EExtended strand (participates in β ladder)trans-113117.1173.6-171.70000108.7V505 V506 L507 V508 L581 L611 L613 L656 L659V505-V579 HydrophobicContact CG1-CG2 3.56Å; V506-V579 PolarHBondContact O-N 2.87Å; L507-V579 CarbonylContact C-O 3.54Å; L507-V579 WeakPolarHBondContact CA-O 3.42Å; L507-V579 HydrophobicContact CG-CB 4.35Å; V508-V579 PolarHBondContact N-O 2.84Å; V579-L581 HydrophobicContact CB-CD1 4.37Å; V579-L581 HydrophobicContact CG1-CD1 3.75Å; V579-L611 CarbonylContact C-O 3.58Å; V579-L611 WeakPolarHBondContact CA-O 3.3Å; V579-L611 HydrophobicContact CG1-CD2 4.3Å; V579-L611 HydrophobicContact CG1-CG 4.37Å; V579-L611 HydrophobicContact CG2-CB 4.45Å; V579-L611 HydrophobicContact CG2-CD2 4.31Å; V579-L613 HydrophobicContact CG1-CD1 3.39Å; V579-L613 HydrophobicContact CG1-CG 3.81Å; V579-L656 HydrophobicContact CG2-CD2 3.93Å; V579-L659 HydrophobicContact CG2-CD2 3.61Å
580L94Very high90Very high1 Ų146.8 Ų46.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-104.6115.3179.4174.151.5000109.4V508 V593 W596 L597 I610 L611 L612 L613V508-L580 HydrophobicContact CG2-CB 4.3Å; V508-L580 HydrophobicContact CG2-CD1 4.14Å; V508-L580 WeakPolarHBondContact O-CA 3.36Å; L580-V593 HydrophobicContact CD2-CG1 3.86Å; L580-W596 HydrophobicContact CD1-CB 3.5Å; L580-W596 HydrophobicContact CD1-CG 3.76Å; L580-W596 HydrophobicContact CD2-CB 3.71Å; L580-W596 HydrophobicContact CG-CB 4.28Å; L580-L597 HydrophobicContact CD2-CD2 3.73Å; L580-L597 HydrophobicContact CD2-CG 3.8Å; L580-I610 HydrophobicContact CB-CG2 4.42Å; L580-L611 PolarHBondContact N-O 2.98Å; L580-L612 HydrophobicContact CB-CD1 4.35Å; L580-L612 HydrophobicContact CD2-CD1 4.25Å; L580-L612 HydrophobicContact CG-CD1 3.96Å; L580-L612 CarbonylContact O-C 3.38Å; L580-L612 WeakPolarHBondContact O-CA 3.44Å; L580-L613 PolarHBondContact O-N 2.95Å
581L94.9Very high91Very high2 Ų243 Ų431%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-101.6136.7-179.4-68.883.5000111.4L507 V508 G509 V513 K515 L518 V579 L613L507-L581 HydrophobicContact CB-CD1 4.33Å; L507-L581 HydrophobicContact CD2-CD1 4.42Å; L507-L581 HydrophobicContact CG-CD1 4.49Å; V508-L581 PolarHBondContact O-N 2.95Å; G509-L581 WeakPolarHBondContact CA-O 3.29Å; V513-L581 HydrophobicContact CG2-CB 3.75Å; K515-L581 HydrophobicContact CB-CD1 4.5Å; K515-L581 HydrophobicContact CB-CD2 4.32Å; K515-L581 HydrophobicContact CD-CD1 4.35Å; K515-L581 HydrophobicContact CG-CB 4.15Å; K515-L581 HydrophobicContact CG-CD1 4.01Å; K515-L581 HydrophobicContact CG-CD2 4.02Å; K515-L581 HydrophobicContact CG-CG 4.28Å; L518-L581 HydrophobicContact CB-CD2 4.14Å; L518-L581 HydrophobicContact CD2-CD1 4.24Å; L518-L581 HydrophobicContact CD2-CD2 3.81Å; L518-L581 HydrophobicContact CD2-CG 4.32Å; V579-L581 HydrophobicContact CB-CD1 4.37Å; V579-L581 HydrophobicContact CG1-CD1 3.75Å; L581-L613 WeakPolarHBondContact CA-O 3.47Å; L581-L613 HydrophobicContact CG-CB 4.23Å; L581-L613 HydrophobicContact CG-CD1 4.47Å
582Y96.2Very high91.9Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-126175.6160.776.2-83.9000110V584 F590 V593 L612 L613 N615 V625 A630 F641Y582-V584 HydrophobicContact CE2-CG1 4.02Å; Y582-F590 HydrophobicContact CD1-CD2 4.18Å; Y582-F590 HydrophobicContact CD2-CB 3.8Å; Y582-F590 AromaticContact CD2-CD2 3.77Å; Y582-F590 HydrophobicContact CD2-CD2 3.77Å; Y582-F590 HydrophobicContact CD2-CG 4.23Å; Y582-F590 HydrophobicContact CE1-CD2 4.1Å; Y582-F590 HydrophobicContact CE1-CE2 4.45Å; Y582-F590 HydrophobicContact CE2-CB 4.29Å; Y582-F590 AromaticContact CE2-CD2 3.7Å; Y582-F590 HydrophobicContact CE2-CD2 3.7Å; Y582-F590 HydrophobicContact CE2-CE2 4.47Å; Y582-F590 HydrophobicContact CE2-CG 4.32Å; Y582-F590 HydrophobicContact CG-CB 4.35Å; Y582-F590 HydrophobicContact CG-CD2 4.04Å; Y582-F590 AromaticContact CZ-CD2 3.89Å; Y582-V593 HydrophobicContact CD1-CG2 4.04Å; Y582-V593 HydrophobicContact CG-CG2 4.12Å; Y582-L612 HydrophobicContact CD1-CD1 3.85Å; Y582-L612 HydrophobicContact CD1-CG 4.31Å; Y582-L612 HydrophobicContact CE1-CD1 4.2Å; Y582-L612 HydrophobicContact CE1-CD2 4.46Å; Y582-L612 HydrophobicContact CE1-CG 4.15Å; Y582-L613 WeakPolarHBondContact CD1-O 3.48Å; Y582-L613 PolarHBondContact N-O 3.14Å; Y582-N615 PolarHBondContact O-N 3.35Å; Y582-V625 HydrophobicContact CE2-CB 4.26Å; Y582-V625 HydrophobicContact CE2-CG1 3.9Å; Y582-V625 HydrophobicContact CE2-CG2 4.41Å; Y582-A630 HydrophobicContact CE1-CB 4.43Å; Y582-A630 WeakPolarHBondContact OH-CB 3.43Å; Y582-F641 HydrophobicContact CE1-CE2 4.07Å; Y582-F641 WeakPolarHBondContact OH-CE2 3.36Å
583D95.9Very high92.6Very high1 Ų140.9 Ų40.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-115.1124.8-177.9-171.9-6.9000110.2V513 T585 V586 S589 K616V513-D583 HydrophobicContact CB-CB 4.31Å; V513-D583 HydrophobicContact CG1-CB 4.12Å; D583-T585 PolarHBondContact O-N 3.23Å; D583-T585 PolarHBondContact OD1-N 3.23Å; D583-T585 PolarHBondContact OD1-OG1 2.92Å; D583-V586 HydrophobicContact CB-CB 4.25Å; D583-V586 HydrophobicContact CB-CG2 4.32Å; D583-V586 PolarHBondContact O-N 2.76Å; D583-S589 WeakPolarHBondContact CB-OG 3.48Å; D583-S589 PolarHBondContact N-OG 3.31Å; D583-S589 PolarHBondContact O-OG 2.97Å; D583-K616 VanDerWaalsContact OD1-CD 3.28Å; D583-K616 WeakPolarHBondContact OD1-CD 3.37Å; D583-K616 IonicContact OD1-NZ 3.17Å; D583-K616 WeakPolarHBondContact OD2-CE 3.26Å; D583-K616 IonicContact OD2-NZ 2.84Å; D583-K616 PolarHBondContact OD2-NZ 3.44Å
584V96.6Very high93.3Very high0 Ų036.6 Ų36.60%020%0.197CC..THydrogen-bonded Turntrans-68.9-15.2-178.3-55.80000113.2Y582 N615 K616 R623 E624 V625Y582-V584 HydrophobicContact CE2-CG1 4.02Å; V584-N615 WeakPolarHBondContact CG2-O 3.43Å; V584-N615 PolarHBondContact N-O 3.37Å; V584-K616 WeakPolarHBondContact CG2-O 3.28Å; V584-R623 WeakPolarHBondContact O-CA 3.34Å; V584-E624 PolarHBondContact O-N 3.25Å; V584-V625 PolarHBondContact O-N 2.81Å; V584-V625 VanDerWaalsContact O-N 3.11Å
585T95.6Very high93.7Very high21 Ų2130.5 Ų30.513%0.12918%0.175CC..THydrogen-bonded Turntrans-96.48.5176.478.20000113.6D583 M619 E622D583-T585 PolarHBondContact O-N 3.23Å; D583-T585 PolarHBondContact OD1-N 3.23Å; D583-T585 PolarHBondContact OD1-OG1 2.92Å; T585-M619 HydrophobicContact CG2-CB 3.5Å; T585-M619 HydrophobicContact CG2-CG 4.3Å; T585-E622 VanDerWaalsContact CA-O 3.26Å; T585-E622 WeakPolarHBondContact CA-O 3.3Å; T585-E622 WeakPolarHBondContact CB-O 3.32Å; T585-E622 HydrophobicContact CG2-CB 4.05Å; T585-E622 WeakPolarHBondContact CG2-O 3.37Å
586V94.8Very high93.6Very high50 Ų5030.5 Ų30.530%0.30317%0.174SC..  trans-142.499.6-179.6-173.40000110.6D583 E588 S589 F590 E624D583-V586 HydrophobicContact CB-CB 4.25Å; D583-V586 HydrophobicContact CB-CG2 4.32Å; D583-V586 PolarHBondContact O-N 2.76Å; V586-E588 VanDerWaalsContact C-N 3.27Å; V586-E588 HydrophobicContact CG1-CB 4.23Å; V586-E588 PolarHBondContact O-N 3.06Å; V586-S589 WeakPolarHBondContact O-CB 3.45Å; V586-S589 PolarHBondContact O-N 2.89Å; V586-S589 PolarHBondContact O-OG 3.09Å; V586-F590 PolarHBondContact O-N 3.32Å; V586-E624 WeakPolarHBondContact CA-OE2 3.32Å
587A94.1Very high93.5Very high45 Ų4527.5 Ų27.537%0.37216%0.158SC..Hα-helixtrans-58.4-34.3-178.600000113.2S589 F590 A591 E624A587-S589 VanDerWaalsContact C-N 3.26Å; A587-S589 PolarHBondContact O-N 2.9Å; A587-F590 PolarHBondContact O-N 3.11Å; A587-F590 VanDerWaalsContact O-N 3.17Å; A587-A591 PolarHBondContact O-N 3.18Å; A587-E624 HydrophobicContact CB-CB 4.19Å; A587-E624 WeakPolarHBondContact CB-OE2 3.46Å; A587-E624 PolarHBondContact N-OE2 2.86Å
588E92.7Very high93.2Very high159 Ų15932.9 Ų32.974%0.74319%0.186SC*.Hα-helixtrans-60.5-34.6174.4-62.8-169.1161.500112.8V586 F590 A591 A592V586-E588 VanDerWaalsContact C-N 3.27Å; V586-E588 HydrophobicContact CG1-CB 4.23Å; V586-E588 PolarHBondContact O-N 3.06Å; E588-F590 VanDerWaalsContact C-N 3.32Å; E588-A591 PolarHBondContact O-N 3.41Å; E588-A592 WeakPolarHBondContact O-CB 3.45Å; E588-A592 PolarHBondContact O-N 3.29Å
589S93.3Very high92.8Very high7 Ų734.5 Ų34.55%0.04919%0.194CC..Hα-helixtrans-69.5-33.8178.481.40000111.7D583 V586 A587D583-S589 WeakPolarHBondContact CB-OG 3.48Å; D583-S589 PolarHBondContact N-OG 3.31Å; D583-S589 PolarHBondContact O-OG 2.97Å; V586-S589 WeakPolarHBondContact O-CB 3.45Å; V586-S589 PolarHBondContact O-N 2.89Å; V586-S589 PolarHBondContact O-OG 3.09Å; A587-S589 VanDerWaalsContact C-N 3.26Å; A587-S589 PolarHBondContact O-N 2.9Å
590F95.8Very high92.4Very high36 Ų3634.5 Ų34.516%0.15820%0.195CC..Hα-helixtrans-75.3-41.5174.7-179.4-112.7000111.8Y582 V586 A587 E588 A592 V593 V625 D629 A630 L633Y582-F590 HydrophobicContact CD1-CD2 4.18Å; Y582-F590 HydrophobicContact CD2-CB 3.8Å; Y582-F590 AromaticContact CD2-CD2 3.77Å; Y582-F590 HydrophobicContact CD2-CD2 3.77Å; Y582-F590 HydrophobicContact CD2-CG 4.23Å; Y582-F590 HydrophobicContact CE1-CD2 4.1Å; Y582-F590 HydrophobicContact CE1-CE2 4.45Å; Y582-F590 HydrophobicContact CE2-CB 4.29Å; Y582-F590 AromaticContact CE2-CD2 3.7Å; Y582-F590 HydrophobicContact CE2-CD2 3.7Å; Y582-F590 HydrophobicContact CE2-CE2 4.47Å; Y582-F590 HydrophobicContact CE2-CG 4.32Å; Y582-F590 HydrophobicContact CG-CB 4.35Å; Y582-F590 HydrophobicContact CG-CD2 4.04Å; Y582-F590 AromaticContact CZ-CD2 3.89Å; V586-F590 PolarHBondContact O-N 3.32Å; A587-F590 PolarHBondContact O-N 3.11Å; A587-F590 VanDerWaalsContact O-N 3.17Å; E588-F590 VanDerWaalsContact C-N 3.32Å; F590-A592 PolarHBondContact O-N 2.86Å; F590-V593 HydrophobicContact CD2-CG2 4.3Å; F590-V593 WeakPolarHBondContact O-CB 3.25Å; F590-V593 VanDerWaalsContact O-CG2 3.32Å; F590-V593 WeakPolarHBondContact O-CG2 3.15Å; F590-V593 PolarHBondContact O-N 3.46Å; F590-V625 HydrophobicContact CB-CG1 4.23Å; F590-V625 HydrophobicContact CB-CG2 3.68Å; F590-V625 HydrophobicContact CD1-CG1 3.78Å; F590-V625 HydrophobicContact CD1-CG2 4.3Å; F590-V625 HydrophobicContact CD2-CG1 3.86Å; F590-V625 HydrophobicContact CE1-CG1 4.03Å; F590-V625 HydrophobicContact CE2-CG1 4.12Å; F590-V625 HydrophobicContact CG-CG1 3.68Å; F590-V625 HydrophobicContact CG-CG2 4.04Å; F590-V625 HydrophobicContact CZ-CG1 4.2Å; F590-D629 HydrophobicContact CE1-CB 4.34Å; F590-D629 HydrophobicContact CZ-CB 4.37Å; F590-A630 HydrophobicContact CE2-CB 3.67Å; F590-A630 HydrophobicContact CZ-CB 4.11Å; F590-L633 HydrophobicContact CD2-CD2 4.25Å; F590-L633 HydrophobicContact CE1-CD2 4.42Å; F590-L633 HydrophobicContact CE2-CB 4.41Å; F590-L633 HydrophobicContact CE2-CD2 3.45Å; F590-L633 VanDerWaalsContact CE2-CD2 3.45Å; F590-L633 HydrophobicContact CZ-CB 4.06Å; F590-L633 HydrophobicContact CZ-CD2 3.55Å; F590-L633 HydrophobicContact CZ-CG 4.43Å
591A93.4Very high92.1Very high68 Ų6837.7 Ų37.756%0.56221%0.21SC*.Hα-helixtrans-57.6-35.3172.300000112.1A587 E588 V593 P595A587-A591 PolarHBondContact O-N 3.18Å; E588-A591 PolarHBondContact O-N 3.41Å; A591-V593 VanDerWaalsContact C-N 3.25Å; A591-V593 PolarHBondContact O-N 3.47Å; A591-P595 WeakPolarHBondContact O-CD 3.42Å
592A90.9Very high91.5Very high13 Ų1344 Ų4411%0.10724%0.239CC..THydrogen-bonded Turntrans-69.1-14.1175.300000114.8N510 E588 F590 K594 P595 W596N510-A592 WeakPolarHBondContact ND2-CB 3.46Å; N510-A592 WeakPolarHBondContact OD1-CB 3.49Å; E588-A592 WeakPolarHBondContact O-CB 3.45Å; E588-A592 PolarHBondContact O-N 3.29Å; F590-A592 PolarHBondContact O-N 2.86Å; A592-K594 PolarHBondContact O-N 2.92Å; A592-P595 WeakPolarHBondContact O-CD 3.45Å; A592-W596 PolarHBondContact O-N 3.31Å
593V92.4Very high90.8Very high1 Ų145.4 Ų45.41%0.00625%0.251CS..Hα-helixtrans-59-44.2178.3171.80000111.4L580 Y582 F590 A591 W596 L597 L612 L633L580-V593 HydrophobicContact CD2-CG1 3.86Å; Y582-V593 HydrophobicContact CD1-CG2 4.04Å; Y582-V593 HydrophobicContact CG-CG2 4.12Å; F590-V593 HydrophobicContact CD2-CG2 4.3Å; F590-V593 WeakPolarHBondContact O-CB 3.25Å; F590-V593 VanDerWaalsContact O-CG2 3.32Å; F590-V593 WeakPolarHBondContact O-CG2 3.15Å; F590-V593 PolarHBondContact O-N 3.46Å; A591-V593 VanDerWaalsContact C-N 3.25Å; A591-V593 PolarHBondContact O-N 3.47Å; V593-W596 PolarHBondContact O-N 2.88Å; V593-W596 VanDerWaalsContact O-N 3.11Å; V593-L597 HydrophobicContact CG1-CD1 3.97Å; V593-L597 HydrophobicContact CG1-CG 4.21Å; V593-L597 WeakPolarHBondContact O-CG 3.36Å; V593-L597 PolarHBondContact O-N 2.9Å; V593-L612 HydrophobicContact CB-CD1 4.48Å; V593-L612 HydrophobicContact CG1-CD1 3.6Å; V593-L612 HydrophobicContact CG1-CD2 4.25Å; V593-L612 HydrophobicContact CG2-CD1 3.95Å; V593-L633 HydrophobicContact CB-CD2 4.05Å; V593-L633 HydrophobicContact CG1-CD2 3.71Å
594K92Very high90Very high110 Ų11046.5 Ų46.548%0.47826%0.26SS..Hα-helixtrans-59.5-51.6178.9-72-174.2179.4-169.90111.8A592 W596 L597 L598 L633 E636A592-K594 PolarHBondContact O-N 2.92Å; K594-W596 VanDerWaalsContact C-N 3.34Å; K594-W596 PolarHBondContact O-N 2.92Å; K594-L597 PolarHBondContact O-N 3.47Å; K594-L598 WeakPolarHBondContact O-CG 3.34Å; K594-L598 PolarHBondContact O-N 3.27Å; K594-L633 HydrophobicContact CD-CD1 4.13Å; K594-L633 HydrophobicContact CG-CD1 3.85Å; K594-E636 IonicContact NZ-OE2 3.08Å
595P89.9Confident89Confident52 Ų5248.1 Ų48.134%0.33828%0.276SS..Hα-helixtrans-54-41168.4-29.834.3000115A591 A592 N599A591-P595 WeakPolarHBondContact O-CD 3.42Å; A592-P595 WeakPolarHBondContact O-CD 3.45Å; P595-N599 PolarHBondContact O-N 3.34Å; P595-N599 VanDerWaalsContact O-N 3.12Å; P595-N599 PolarHBondContact O-ND2 3.33Å
596W88.9Confident87.9Confident9 Ų956 Ų563%0.03431%0.312CS..Hα-helixtrans-66.8-42179.3-81.8115.8000112.7V508 N510 T568 L580 A592 V593 K594 L598 N599 V600V508-W596 HydrophobicContact CB-CE3 4.26Å; V508-W596 HydrophobicContact CB-CZ3 4.32Å; N510-W596 PolarHBondContact OD1-NE1 3.28Å; T568-W596 HydrophobicContact CG2-CZ3 4.36Å; L580-W596 HydrophobicContact CD1-CB 3.5Å; L580-W596 HydrophobicContact CD1-CG 3.76Å; L580-W596 HydrophobicContact CD2-CB 3.71Å; L580-W596 HydrophobicContact CG-CB 4.28Å; A592-W596 PolarHBondContact O-N 3.31Å; V593-W596 PolarHBondContact O-N 2.88Å; V593-W596 VanDerWaalsContact O-N 3.11Å; K594-W596 VanDerWaalsContact C-N 3.34Å; K594-W596 PolarHBondContact O-N 2.92Å; W596-L598 PolarHBondContact O-N 2.96Å; W596-N599 PolarHBondContact O-N 3.44Å; W596-V600 WeakPolarHBondContact O-CG2 3.33Å; W596-V600 PolarHBondContact O-N 3.15Å
597L89.6Confident87.1Confident2 Ų258 Ų581%0.0133%0.328CS..Hα-helixtrans-58.2-47.4175.8-70.9172.8000111.7L580 V593 K594 N599 V600 Q601 I610 N637 V639L580-L597 HydrophobicContact CD2-CD2 3.73Å; L580-L597 HydrophobicContact CD2-CG 3.8Å; V593-L597 HydrophobicContact CG1-CD1 3.97Å; V593-L597 HydrophobicContact CG1-CG 4.21Å; V593-L597 WeakPolarHBondContact O-CG 3.36Å; V593-L597 PolarHBondContact O-N 2.9Å; K594-L597 PolarHBondContact O-N 3.47Å; L597-N599 PolarHBondContact O-N 2.98Å; L597-V600 PolarHBondContact O-N 2.82Å; L597-Q601 WeakPolarHBondContact O-CG 3.42Å; L597-Q601 PolarHBondContact O-N 3.23Å; L597-I610 HydrophobicContact CD2-CD1 3.93Å; L597-I610 HydrophobicContact CD2-CG2 3.87Å; L597-N637 HydrophobicContact CD1-CB 3.87Å; L597-V639 HydrophobicContact CD2-CG1 4.02Å
598L88.3Confident86.9Confident114 Ų11457.2 Ų57.260%0.59732%0.317SS*.Hα-helixtrans-60.3-43.7177.1-67.1171.1000112.1K594 W596 V600 Q601 E602K594-L598 WeakPolarHBondContact O-CG 3.34Å; K594-L598 PolarHBondContact O-N 3.27Å; W596-L598 PolarHBondContact O-N 2.96Å; L598-V600 VanDerWaalsContact C-N 3.31Å; L598-V600 PolarHBondContact O-N 3.18Å; L598-Q601 PolarHBondContact O-N 2.88Å; L598-E602 WeakPolarHBondContact O-CB 3.28Å; L598-E602 PolarHBondContact O-N 3.09Å
599N85.7Confident86.9Confident33 Ų3350.2 Ų50.218%0.17629%0.285CS..Hα-helixtrans-64-33.5177.2-77.8-64.6000112.9P595 W596 L597 A603P595-N599 PolarHBondContact O-N 3.34Å; P595-N599 VanDerWaalsContact O-N 3.12Å; P595-N599 PolarHBondContact O-ND2 3.33Å; W596-N599 PolarHBondContact O-N 3.44Å; L597-N599 PolarHBondContact O-N 2.98Å; N599-A603 VanDerWaalsContact O-CB 3.28Å; N599-A603 WeakPolarHBondContact O-CB 3.35Å; N599-A603 PolarHBondContact O-N 3.19Å
600V86.2Confident86.9Confident1 Ų150.5 Ų50.51%0.00629%0.286CS..Hα-helixtrans-71.4-48.9176171.10000110.3V508 F572 V578 W596 L597 L598 E602 A603 A604 I610V508-V600 HydrophobicContact CG2-CG2 4.32Å; F572-V600 HydrophobicContact CE1-CG2 3.76Å; F572-V600 HydrophobicContact CE2-CG2 4.46Å; F572-V600 HydrophobicContact CZ-CG2 3.71Å; V578-V600 HydrophobicContact CB-CG1 4.24Å; V578-V600 HydrophobicContact CG1-CG1 4.2Å; V578-V600 HydrophobicContact CG1-CG2 3.98Å; V578-V600 HydrophobicContact CG2-CG1 3.95Å; W596-V600 WeakPolarHBondContact O-CG2 3.33Å; W596-V600 PolarHBondContact O-N 3.15Å; L597-V600 PolarHBondContact O-N 2.82Å; L598-V600 VanDerWaalsContact C-N 3.31Å; L598-V600 PolarHBondContact O-N 3.18Å; V600-E602 PolarHBondContact O-N 3.36Å; V600-A603 PolarHBondContact O-N 2.88Å; V600-A604 WeakPolarHBondContact O-CB 3.29Å; V600-A604 PolarHBondContact O-N 2.67Å; V600-I610 HydrophobicContact CB-CD1 4.36Å; V600-I610 HydrophobicContact CG1-CD1 3.75Å; V600-I610 HydrophobicContact CG1-CG1 4.18Å
601Q86.1Confident87Confident68 Ų6848.8 Ų48.832%0.31828%0.279SS..Hα-helixtrans-58.6-44.8178.2-72.1167.6-22.100111.8L597 L598 A603 G605L597-Q601 WeakPolarHBondContact O-CG 3.42Å; L597-Q601 PolarHBondContact O-N 3.23Å; L598-Q601 PolarHBondContact O-N 2.88Å; Q601-A603 PolarHBondContact O-N 3.45Å; Q601-G605 WeakPolarHBondContact O-CA 3.46Å; Q601-G605 PolarHBondContact O-N 2.93Å
602E84.3Confident87.2Confident133 Ų13345.5 Ų45.562%0.62125%0.252SS*.Hα-helixtrans-63.6-37.7178.2-164.5-145.213500113K569 L598 V600K569-E602 WeakPolarHBondContact CE-OE2 3.39Å; K569-E602 IonicContact NZ-OE1 3.58Å; K569-E602 PolarHBondContact NZ-OE1 3.49Å; K569-E602 IonicContact NZ-OE2 3.95Å; K569-E602 PolarHBondContact NZ-OE2 3Å; L598-E602 WeakPolarHBondContact O-CB 3.28Å; L598-E602 PolarHBondContact O-N 3.09Å; V600-E602 PolarHBondContact O-N 3.36Å
603A80.9Confident87.5Confident30 Ų3044.9 Ų44.925%0.24825%0.247CC..Hα-helixtrans-92-18.9-173.400000114.6K569 F572 N599 V600 Q601K569-A603 HydrophobicContact CB-CB 4.34Å; K569-A603 HydrophobicContact CG-CB 4.05Å; F572-A603 HydrophobicContact CB-CB 4.07Å; F572-A603 HydrophobicContact CD2-CB 3.52Å; F572-A603 HydrophobicContact CE2-CB 4.34Å; F572-A603 HydrophobicContact CG-CB 4.19Å; N599-A603 VanDerWaalsContact O-CB 3.28Å; N599-A603 WeakPolarHBondContact O-CB 3.35Å; N599-A603 PolarHBondContact O-N 3.19Å; V600-A603 PolarHBondContact O-N 2.88Å; Q601-A603 PolarHBondContact O-N 3.45Å
604A78.8Confident87.7Confident25 Ų2544.9 Ų44.921%0.20725%0.247CC..Hα-helixtrans-128.7-18.7-16800000113.9F572 V600 I608F572-A604 HydrophobicContact CB-CB 3.96Å; V600-A604 WeakPolarHBondContact O-CB 3.29Å; V600-A604 PolarHBondContact O-N 2.67Å; A604-I608 HydrophobicContact CB-CD1 3.6Å; A604-I608 WeakPolarHBondContact O-CD1 3.32Å
605G74.6Confident87.9Confident33 Ų3339.6 Ų39.634%0.3422%0.224SC..  trans92.2159.2-178.300000113.8Q601 S607Q601-G605 WeakPolarHBondContact O-CA 3.46Å; Q601-G605 PolarHBondContact O-N 2.93Å; G605-S607 PolarHBondContact O-N 3.35Å
606E72.8Confident88.1Confident188 Ų18840 Ų4088%0.87922%0.22SC*.THydrogen-bonded Turntrans-70.1-11.2-174.7-61.4-176.9168.700114.6
607S78.3Confident88.4Confident92 Ų9241.1 Ų41.164%0.64323%0.226SC*.THydrogen-bonded Turntrans-85.7-10.8-172.955.70000115.3G605 Q666G605-S607 PolarHBondContact O-N 3.35Å; S607-Q666 PolarHBondContact O-NE2 2.82Å
608I89.6Confident88.6Confident28 Ų2843.2 Ų43.214%0.14424%0.237CC..SBendtrans-84.3131.9-170.2-64.7-169.2000111.7A575 V578 A604 I610A575-I608 WeakPolarHBondContact O-CD1 3.4Å; V578-I608 HydrophobicContact CG2-CG2 4.23Å; A604-I608 HydrophobicContact CB-CD1 3.6Å; A604-I608 WeakPolarHBondContact O-CD1 3.32Å; I608-I610 PolarHBondContact O-N 2.91Å
609P92.8Very high88.8Confident11 Ų1141.7 Ų41.77%0.07123%0.228CC..  trans-61.5122.5173.1-25.236.5000112.2D576 V578 M640 L659 I662 L663 Q666D576-P609 WeakPolarHBondContact O-CD 3.42Å; V578-P609 PolarHBondContact N-O 3.42Å; P609-M640 HydrophobicContact CB-CE 3.79Å; P609-L659 HydrophobicContact CB-CD1 3.91Å; P609-I662 HydrophobicContact CB-CG2 4.15Å; P609-I662 HydrophobicContact CG-CG2 4Å; P609-L663 HydrophobicContact CB-CD2 4.45Å; P609-L663 HydrophobicContact CG-CD2 3.94Å; P609-Q666 VanDerWaalsContact CG-CD 3.48Å
610I94.8Very high89Confident13 Ų1345 Ų457%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-108.2128.3172.7-55.4175.1000109V578 L580 L597 V600 I608 V639 M640V578-I610 WeakPolarHBondContact O-CA 3.39Å; L580-I610 HydrophobicContact CB-CG2 4.42Å; L597-I610 HydrophobicContact CD2-CD1 3.93Å; L597-I610 HydrophobicContact CD2-CG2 3.87Å; V600-I610 HydrophobicContact CB-CD1 4.36Å; V600-I610 HydrophobicContact CG1-CD1 3.75Å; V600-I610 HydrophobicContact CG1-CG1 4.18Å; I608-I610 PolarHBondContact O-N 2.91Å; I610-V639 HydrophobicContact CB-CB 4.24Å; I610-V639 HydrophobicContact CB-CG1 3.77Å; I610-V639 HydrophobicContact CD1-CG1 4.34Å; I610-V639 HydrophobicContact CG2-CB 4.41Å; I610-V639 HydrophobicContact CG2-CG1 4.1Å; I610-M640 PolarHBondContact O-N 2.84Å
611L96.7Very high89.3Confident0 Ų056.5 Ų56.50%029%0.293CS..EExtended strand (participates in β ladder)trans-107.5109.4171.8172.962.5000109.3V578 V579 L580 L613 M640 F642 S655 L656 L659V578-L611 PolarHBondContact O-N 3.38Å; V579-L611 CarbonylContact C-O 3.58Å; V579-L611 WeakPolarHBondContact CA-O 3.3Å; V579-L611 HydrophobicContact CG1-CD2 4.3Å; V579-L611 HydrophobicContact CG1-CG 4.37Å; V579-L611 HydrophobicContact CG2-CB 4.45Å; V579-L611 HydrophobicContact CG2-CD2 4.31Å; L580-L611 PolarHBondContact N-O 2.98Å; L611-L613 HydrophobicContact CD1-CD2 3.86Å; L611-L613 HydrophobicContact CD2-CD1 4.42Å; L611-L613 HydrophobicContact CD2-CD2 4.01Å; L611-L613 HydrophobicContact CD2-CG 4.31Å; L611-L613 HydrophobicContact CG-CD2 3.78Å; L611-L613 HydrophobicContact CG-CG 4.02Å; L611-M640 HydrophobicContact CB-CE 4.48Å; L611-M640 HydrophobicContact CD1-CB 3.88Å; L611-F642 HydrophobicContact CD1-CD2 3.73Å; L611-F642 HydrophobicContact CD1-CE2 4.31Å; L611-S655 WeakPolarHBondContact CD2-O 3.45Å; L611-L656 HydrophobicContact CD2-CD2 4.38Å; L611-L659 HydrophobicContact CB-CD2 4.27Å; L611-L659 HydrophobicContact CD2-CB 4.02Å; L611-L659 HydrophobicContact CD2-CD2 4.21Å
612L97Very high89.6Confident0 Ų059.4 Ų59.40%031%0.307CS..EExtended strand (participates in β ladder)trans-82.1127.7171.8-177.263.8000109.9L580 Y582 V593 A634 V639 M640 F641 F642L580-L612 HydrophobicContact CB-CD1 4.35Å; L580-L612 HydrophobicContact CD2-CD1 4.25Å; L580-L612 HydrophobicContact CG-CD1 3.96Å; L580-L612 CarbonylContact O-C 3.38Å; L580-L612 WeakPolarHBondContact O-CA 3.44Å; Y582-L612 HydrophobicContact CD1-CD1 3.85Å; Y582-L612 HydrophobicContact CD1-CG 4.31Å; Y582-L612 HydrophobicContact CE1-CD1 4.2Å; Y582-L612 HydrophobicContact CE1-CD2 4.46Å; Y582-L612 HydrophobicContact CE1-CG 4.15Å; V593-L612 HydrophobicContact CB-CD1 4.48Å; V593-L612 HydrophobicContact CG1-CD1 3.6Å; V593-L612 HydrophobicContact CG1-CD2 4.25Å; V593-L612 HydrophobicContact CG2-CD1 3.95Å; L612-A634 HydrophobicContact CD2-CB 4.27Å; L612-V639 HydrophobicContact CB-CG2 4.16Å; L612-M640 WeakPolarHBondContact CB-O 3.48Å; L612-M640 PolarHBondContact N-O 2.82Å; L612-F641 HydrophobicContact CB-CD2 4.27Å; L612-F641 HydrophobicContact CD2-CD2 4.06Å; L612-F641 HydrophobicContact CG-CD2 4.02Å; L612-F641 WeakPolarHBondContact O-CA 3.36Å; L612-F642 PolarHBondContact O-N 2.7Å; L612-F642 VanDerWaalsContact O-N 3.1Å
613L97.6Very high90.1Very high0 Ų056.6 Ų56.60%029%0.29CS..EExtended strand (participates in β ladder)trans-123.1121.2179.3-63.6-175.3000111.8L518 V579 L580 L581 Y582 L611 F642 V644L518-L613 HydrophobicContact CD2-CD1 3.45Å; L518-L613 VanDerWaalsContact CD2-CD1 3.45Å; V579-L613 HydrophobicContact CG1-CD1 3.39Å; V579-L613 HydrophobicContact CG1-CG 3.81Å; L580-L613 PolarHBondContact O-N 2.95Å; L581-L613 WeakPolarHBondContact CA-O 3.47Å; L581-L613 HydrophobicContact CG-CB 4.23Å; L581-L613 HydrophobicContact CG-CD1 4.47Å; Y582-L613 WeakPolarHBondContact CD1-O 3.48Å; Y582-L613 PolarHBondContact N-O 3.14Å; L611-L613 HydrophobicContact CD1-CD2 3.86Å; L611-L613 HydrophobicContact CD2-CD1 4.42Å; L611-L613 HydrophobicContact CD2-CD2 4.01Å; L611-L613 HydrophobicContact CD2-CG 4.31Å; L611-L613 HydrophobicContact CG-CD2 3.78Å; L611-L613 HydrophobicContact CG-CG 4.02Å; L613-F642 VanDerWaalsContact CA-O 3.32Å; L613-F642 WeakPolarHBondContact CA-O 3.47Å; L613-F642 HydrophobicContact CD2-CB 3.82Å; L613-V644 HydrophobicContact CB-CG2 4.25Å; L613-V644 HydrophobicContact CD1-CG2 4.48Å; L613-V644 HydrophobicContact CD2-CG1 3.95Å
614G97.1Very high90.8Very high0 Ų061.2 Ų61.20%031%0.307CS..EExtended strand (participates in β ladder)trans-88.3102.6166.400000110.4F642 E643 V644G614-F642 PolarHBondContact N-O 2.98Å; G614-E643 CarbonylContact O-C 3.58Å; G614-E643 WeakPolarHBondContact O-CA 3.2Å; G614-V644 PolarHBondContact O-N 3.22Å
615N95.9Very high91.5Very high0 Ų060.3 Ų60.30%030%0.298CS..EExtended strand (participates in β ladder)trans-85.3165.9-179.4-166.321.4000112.4V513 Y582 V584 V644 T646V513-N615 PolarHBondContact O-ND2 2.89Å; Y582-N615 PolarHBondContact O-N 3.35Å; V584-N615 WeakPolarHBondContact CG2-O 3.43Å; V584-N615 PolarHBondContact N-O 3.37Å; N615-V644 CarbonylContact C-O 3.56Å; N615-V644 WeakPolarHBondContact CA-O 3.33Å; N615-V644 HydrophobicContact CB-CG2 4.12Å; N615-V644 PolarHBondContact OD1-O 2.92Å; N615-T646 PolarHBondContact ND2-OG1 3.26Å; N615-T646 WeakPolarHBondContact OD1-CG2 3.48Å; N615-T646 PolarHBondContact OD1-N 3.2Å; N615-T646 VanDerWaalsContact OD1-N 3.12Å; N615-T646 PolarHBondContact OD1-OG1 2.96Å
616K94.7Very high92.5Very high60 Ų6060.9 Ų60.926%0.26130%0.297SS..  trans64.331.4-176.9-49.4-169.8-164.5159.40114.4D583 V584 D618 M619 V644D583-K616 VanDerWaalsContact OD1-CD 3.28Å; D583-K616 WeakPolarHBondContact OD1-CD 3.37Å; D583-K616 IonicContact OD1-NZ 3.17Å; D583-K616 WeakPolarHBondContact OD2-CE 3.26Å; D583-K616 IonicContact OD2-NZ 2.84Å; D583-K616 PolarHBondContact OD2-NZ 3.44Å; V584-K616 WeakPolarHBondContact CG2-O 3.28Å; K616-D618 WeakPolarHBondContact CA-OD1 3.41Å; K616-D618 PolarHBondContact O-N 3.24Å; K616-M619 HydrophobicContact CB-CG 4.29Å; K616-M619 PolarHBondContact O-N 2.81Å; K616-V644 PolarHBondContact N-O 3.36Å
617M94.9Very high93.6Very high32 Ų3256 Ų5616%0.15827%0.274CS..THydrogen-bonded Turntrans-57.5-16178.977179.4-5200114.6T620 E643 V644 K650M617-T620 WeakPolarHBondContact O-CG2 3.37Å; M617-E643 HydrophobicContact CB-CB 4.06Å; M617-E643 HydrophobicContact CE-CB 3.73Å; M617-E643 HydrophobicContact SD-CB 4.05Å; M617-V644 WeakPolarHBondContact CG-O 3.25Å; M617-V644 PolarHBondContact N-O 3.02Å; M617-V644 VanDerWaalsContact N-O 3.16Å; M617-K650 HydrophobicContact SD-CD 4.1Å; M617-K650 HydrophobicContact SD-CG 4.29Å
618D93.8Very high94.4Very high47 Ų4759.1 Ų59.125%0.25128%0.275SS..THydrogen-bonded Turntrans-67.6-28.6171.646.9-68000113.9K616 T620 S645 T648K616-D618 WeakPolarHBondContact CA-OD1 3.41Å; K616-D618 PolarHBondContact O-N 3.24Å; D618-T620 PolarHBondContact O-N 3.37Å; D618-S645 WeakPolarHBondContact OD1-CB 3.35Å; D618-S645 PolarHBondContact OD1-OG 3.37Å; D618-T648 HydrophobicContact CB-CG2 4.32Å
619M92.3Very high94.6Very high81 Ų8161.8 Ų61.840%0.39929%0.29SS..  trans-79.350.3-178.9-63.6-59.9-178.900112.7T585 K616 R621 E622 R623T585-M619 HydrophobicContact CG2-CB 3.5Å; T585-M619 HydrophobicContact CG2-CG 4.3Å; K616-M619 HydrophobicContact CB-CG 4.29Å; K616-M619 PolarHBondContact O-N 2.81Å; M619-R621 PolarHBondContact O-N 2.96Å; M619-E622 PolarHBondContact O-N 2.98Å; M619-R623 PolarHBondContact O-N 2.91Å
620T90.8Very high94.7Very high103 Ų10361.2 Ų61.263%0.63229%0.286SS*.THydrogen-bonded Turntrans-58.6-19-173.953.30000115.6M617 D618M617-T620 WeakPolarHBondContact O-CG2 3.37Å; D618-T620 PolarHBondContact O-N 3.37Å
621R91.4Very high94.7Very high242 Ų24265.5 Ų65.591%0.91331%0.306SS*.THydrogen-bonded Turntrans-84.9-23.8176.6-64.7-176.7179.5-175.5-0.3114M619M619-R621 PolarHBondContact O-N 2.96Å
622E92.6Very high94.7Very high130 Ų13071 Ų7161%0.60733%0.332SS*.SBendtrans-110.313.8-175.7-68.4165.8-147.500110.9T585 M619 E624T585-E622 VanDerWaalsContact CA-O 3.26Å; T585-E622 WeakPolarHBondContact CA-O 3.3Å; T585-E622 WeakPolarHBondContact CB-O 3.32Å; T585-E622 HydrophobicContact CG2-CB 4.05Å; T585-E622 WeakPolarHBondContact CG2-O 3.37Å; M619-E622 PolarHBondContact O-N 2.98Å; E622-E624 PolarHBondContact O-N 3.19Å
623R94.9Very high94.6Very high74 Ų7471.4 Ų71.428%0.27933%0.334SS..  trans-69.2117.4179.7175.2-174.8-78.1-97.87110.7V584 M619 V625 E643V584-R623 WeakPolarHBondContact O-CA 3.34Å; M619-R623 PolarHBondContact O-N 2.91Å; R623-V625 VanDerWaalsContact CD-O 3.25Å; R623-V625 WeakPolarHBondContact CD-O 3.24Å; R623-V625 WeakPolarHBondContact CG-O 3.4Å; R623-V625 PolarHBondContact NH1-O 2.89Å; R623-E643 IonicContact CZ-OE1 3.73Å; R623-E643 IonicContact CZ-OE2 3Å; R623-E643 IonicContact NH1-OE1 2.66Å; R623-E643 PolarHBondContact NH1-OE1 3.15Å; R623-E643 IonicContact NH1-OE2 2.6Å; R623-E643 VanDerWaalsContact NH2-CD 3.27Å; R623-E643 IonicContact NH2-OE1 3.64Å; R623-E643 PolarHBondContact NH2-OE1 2.85Å; R623-E643 VanDerWaalsContact NH2-OE1 3.09Å; R623-E643 IonicContact NH2-OE2 3.4Å; R623-E643 PolarHBondContact NH2-OE2 3.49Å
624E95.2Very high94.4Very high127 Ų12771.6 Ų71.659%0.59334%0.335SS*.  trans-94.3-27.4170.4-58.7-169.515000112.1V584 V586 A587 E622V584-E624 PolarHBondContact O-N 3.25Å; V586-E624 WeakPolarHBondContact CA-OE2 3.32Å; A587-E624 HydrophobicContact CB-CB 4.19Å; A587-E624 WeakPolarHBondContact CB-OE2 3.46Å; A587-E624 PolarHBondContact N-OE2 2.86Å; E622-E624 PolarHBondContact O-N 3.19Å
625V94.9Very high94.3Very high5 Ų576 Ų763%0.0337%0.367CS..SBendtrans-105.8123.1-174.5-174.10000110.7Y582 V584 F590 R623Y582-V625 HydrophobicContact CE2-CB 4.26Å; Y582-V625 HydrophobicContact CE2-CG1 3.9Å; Y582-V625 HydrophobicContact CE2-CG2 4.41Å; V584-V625 PolarHBondContact O-N 2.81Å; V584-V625 VanDerWaalsContact O-N 3.11Å; F590-V625 HydrophobicContact CB-CG1 4.23Å; F590-V625 HydrophobicContact CB-CG2 3.68Å; F590-V625 HydrophobicContact CD1-CG1 3.78Å; F590-V625 HydrophobicContact CD1-CG2 4.3Å; F590-V625 HydrophobicContact CD2-CG1 3.86Å; F590-V625 HydrophobicContact CE1-CG1 4.03Å; F590-V625 HydrophobicContact CE2-CG1 4.12Å; F590-V625 HydrophobicContact CG-CG1 3.68Å; F590-V625 HydrophobicContact CG-CG2 4.04Å; F590-V625 HydrophobicContact CZ-CG1 4.2Å; R623-V625 VanDerWaalsContact CD-O 3.25Å; R623-V625 WeakPolarHBondContact CD-O 3.24Å; R623-V625 WeakPolarHBondContact CG-O 3.4Å; R623-V625 PolarHBondContact NH1-O 2.89Å
626S95.3Very high94.2Very high45 Ų4581.1 Ų81.132%0.31539%0.39SS..  trans-78.7149175.9101.20000111.8K628 D629 A630S626-K628 PolarHBondContact O-N 3.21Å; S626-K628 PolarHBondContact OG-N 3.45Å; S626-D629 WeakPolarHBondContact CB-OD2 3.49Å; S626-D629 PolarHBondContact O-N 2.92Å; S626-D629 VanDerWaalsContact OG-CG 3.22Å; S626-D629 PolarHBondContact OG-N 2.87Å; S626-D629 PolarHBondContact OG-OD2 3.44Å; S626-A630 PolarHBondContact O-N 3.15Å
627F94.7Very high94Very high87 Ų8780.6 Ų80.638%0.38239%0.391SS..Hα-helixtrans-54.8-37.9175.4179.9-86.1000111.9A630 E631 F641 E643F627-A630 PolarHBondContact O-N 2.91Å; F627-E631 HydrophobicContact CD1-CB 4.35Å; F627-E631 HydrophobicContact CE1-CB 4.13Å; F627-E631 HydrophobicContact CE1-CG 4.36Å; F627-E631 WeakPolarHBondContact CE1-OE1 3.33Å; F627-E631 VanDerWaalsContact O-CB 3.29Å; F627-E631 WeakPolarHBondContact O-CB 3.38Å; F627-E631 PolarHBondContact O-N 3.37Å; F627-F641 HydrophobicContact CD2-CE1 4Å; F627-F641 HydrophobicContact CD2-CZ 4.35Å; F627-F641 HydrophobicContact CE1-CE1 4.49Å; F627-F641 AromaticContact CE2-CE1 3.72Å; F627-F641 HydrophobicContact CE2-CE1 3.72Å; F627-F641 HydrophobicContact CE2-CZ 4.36Å; F627-F641 HydrophobicContact CG-CE1 4.49Å; F627-F641 AromaticContact CZ-CE1 3.98Å; F627-F641 HydrophobicContact CZ-CE1 3.98Å; F627-E643 HydrophobicContact CD2-CG 3.84Å; F627-E643 HydrophobicContact CE2-CG 4.23Å
628K95.6Very high93.8Very high156 Ų15688.6 Ų88.668%0.67842%0.424SS*.Hα-helixtrans-69.3-38.3-176.3-67-172.6176.7-174.10112.8S626 A630 E631 Q632S626-K628 PolarHBondContact O-N 3.21Å; S626-K628 PolarHBondContact OG-N 3.45Å; K628-A630 VanDerWaalsContact C-N 3.29Å; K628-A630 PolarHBondContact O-N 2.93Å; K628-E631 PolarHBondContact O-N 2.9Å; K628-Q632 VanDerWaalsContact O-CB 3.28Å; K628-Q632 WeakPolarHBondContact O-CB 3.48Å; K628-Q632 PolarHBondContact O-N 3.46Å
629D94.8Very high93.8Very high84 Ų8487.4 Ų87.445%0.44942%0.419SS..Hα-helixtrans-68-36.5179.6-50.6-53.6000110.3F590 S626 L633F590-D629 HydrophobicContact CE1-CB 4.34Å; F590-D629 HydrophobicContact CZ-CB 4.37Å; S626-D629 WeakPolarHBondContact CB-OD2 3.49Å; S626-D629 PolarHBondContact O-N 2.92Å; S626-D629 VanDerWaalsContact OG-CG 3.22Å; S626-D629 PolarHBondContact OG-N 2.87Å; S626-D629 PolarHBondContact OG-OD2 3.44Å; D629-L633 VanDerWaalsContact O-CB 3.27Å; D629-L633 WeakPolarHBondContact O-CB 3.23Å; D629-L633 PolarHBondContact O-N 3.33Å
630A94.2Very high93.9Very high0 Ų085.2 Ų85.20%041%0.408CS..Hα-helixtrans-73.6-39.7175.700000113.3Y582 F590 S626 F627 K628 L633 A634 F641Y582-A630 HydrophobicContact CE1-CB 4.43Å; Y582-A630 WeakPolarHBondContact OH-CB 3.43Å; F590-A630 HydrophobicContact CE2-CB 3.67Å; F590-A630 HydrophobicContact CZ-CB 4.11Å; S626-A630 PolarHBondContact O-N 3.15Å; F627-A630 PolarHBondContact O-N 2.91Å; K628-A630 VanDerWaalsContact C-N 3.29Å; K628-A630 PolarHBondContact O-N 2.93Å; A630-L633 PolarHBondContact O-N 3.03Å; A630-A634 WeakPolarHBondContact O-CB 3.46Å; A630-A634 PolarHBondContact O-N 2.94Å; A630-F641 HydrophobicContact CB-CE1 4.03Å; A630-F641 HydrophobicContact CB-CE2 3.76Å; A630-F641 HydrophobicContact CB-CZ 3.44Å; A630-F641 VanDerWaalsContact CB-CZ 3.44Å
631E95.1Very high94.2Very high102 Ų10281.9 Ų81.948%0.47739%0.385SS..Hα-helixtrans-63.5-43.9172.6-179.5175.4-123.500111.5F627 K628 A634 S635 F641F627-E631 HydrophobicContact CD1-CB 4.35Å; F627-E631 HydrophobicContact CE1-CB 4.13Å; F627-E631 HydrophobicContact CE1-CG 4.36Å; F627-E631 WeakPolarHBondContact CE1-OE1 3.33Å; F627-E631 VanDerWaalsContact O-CB 3.29Å; F627-E631 WeakPolarHBondContact O-CB 3.38Å; F627-E631 PolarHBondContact O-N 3.37Å; K628-E631 PolarHBondContact O-N 2.9Å; E631-A634 PolarHBondContact O-N 3.26Å; E631-S635 WeakPolarHBondContact O-CB 3.29Å; E631-S635 PolarHBondContact O-N 2.9Å; E631-F641 HydrophobicContact CB-CD1 4.09Å; E631-F641 HydrophobicContact CB-CE1 4.11Å
632Q96.2Very high94.5Very high115 Ų11572.3 Ų72.354%0.53735%0.35SS..Hα-helixtrans-61.7-47.7173-179.5178.4-32.100110.9K628 A634 S635 E636K628-Q632 VanDerWaalsContact O-CB 3.28Å; K628-Q632 WeakPolarHBondContact O-CB 3.48Å; K628-Q632 PolarHBondContact O-N 3.46Å; Q632-A634 VanDerWaalsContact C-N 3.27Å; Q632-A634 PolarHBondContact O-N 3.3Å; Q632-S635 WeakPolarHBondContact O-CB 3.47Å; Q632-S635 PolarHBondContact O-N 3.01Å; Q632-S635 VanDerWaalsContact O-N 3.15Å; Q632-E636 HydrophobicContact CG-CG 4.34Å; Q632-E636 WeakPolarHBondContact CG-OE1 3.37Å; Q632-E636 PolarHBondContact NE2-OE1 3.36Å; Q632-E636 WeakPolarHBondContact O-CG 3.3Å; Q632-E636 PolarHBondContact O-N 2.96Å
633L94Very high94.7Very high9 Ų966.5 Ų66.55%0.04732%0.323CS..Hα-helixtrans-57.4-41.6177.3179.563.9000111.9F590 V593 K594 D629 A630 N637F590-L633 HydrophobicContact CD2-CD2 4.25Å; F590-L633 HydrophobicContact CE1-CD2 4.42Å; F590-L633 HydrophobicContact CE2-CB 4.41Å; F590-L633 HydrophobicContact CE2-CD2 3.45Å; F590-L633 VanDerWaalsContact CE2-CD2 3.45Å; F590-L633 HydrophobicContact CZ-CB 4.06Å; F590-L633 HydrophobicContact CZ-CD2 3.55Å; F590-L633 HydrophobicContact CZ-CG 4.43Å; V593-L633 HydrophobicContact CB-CD2 4.05Å; V593-L633 HydrophobicContact CG1-CD2 3.71Å; K594-L633 HydrophobicContact CD-CD1 4.13Å; K594-L633 HydrophobicContact CG-CD1 3.85Å; D629-L633 VanDerWaalsContact O-CB 3.27Å; D629-L633 WeakPolarHBondContact O-CB 3.23Å; D629-L633 PolarHBondContact O-N 3.33Å; A630-L633 PolarHBondContact O-N 3.03Å; L633-N637 WeakPolarHBondContact CD1-ND2 3.27Å; L633-N637 PolarHBondContact O-N 2.82Å; L633-N637 PolarHBondContact O-ND2 3.43Å
634A94.6Very high94.8Very high4 Ų463 Ų633%0.03331%0.31CS..Hα-helixtrans-65.4-42.7177.200000112.1L612 A630 E631 Q632 N637 K638 V639 F641L612-A634 HydrophobicContact CD2-CB 4.27Å; A630-A634 WeakPolarHBondContact O-CB 3.46Å; A630-A634 PolarHBondContact O-N 2.94Å; E631-A634 PolarHBondContact O-N 3.26Å; Q632-A634 VanDerWaalsContact C-N 3.27Å; Q632-A634 PolarHBondContact O-N 3.3Å; A634-N637 CarbonylContact O-C 3.56Å; A634-N637 PolarHBondContact O-N 2.86Å; A634-K638 WeakPolarHBondContact O-CA 3.47Å; A634-K638 PolarHBondContact O-N 3.42Å; A634-V639 HydrophobicContact CB-CG2 3.96Å; A634-V639 PolarHBondContact O-N 3.27Å; A634-F641 HydrophobicContact CB-CB 3.48Å; A634-F641 VanDerWaalsContact CB-CB 3.48Å; A634-F641 HydrophobicContact CB-CG 4.14Å
635S93.9Very high94.8Very high94 Ų9457 Ų5766%0.65728%0.281SS*.Hα-helixtrans-63.3-45.8176.3-165.70000112.3E631 Q632 N637 K638E631-S635 WeakPolarHBondContact O-CB 3.29Å; E631-S635 PolarHBondContact O-N 2.9Å; Q632-S635 WeakPolarHBondContact O-CB 3.47Å; Q632-S635 PolarHBondContact O-N 3.01Å; Q632-S635 VanDerWaalsContact O-N 3.15Å; S635-N637 PolarHBondContact O-N 2.96Å; S635-K638 PolarHBondContact O-N 3.41Å
636E93.9Very high94.7Very high106 Ų10657 Ų5750%0.49528%0.282SS..Hα-helixtrans-55.7-39.2175-76175.1-171.200112.2K594 Q632K594-E636 IonicContact NZ-OE2 3.08Å; Q632-E636 HydrophobicContact CG-CG 4.34Å; Q632-E636 WeakPolarHBondContact CG-OE1 3.37Å; Q632-E636 PolarHBondContact NE2-OE1 3.36Å; Q632-E636 WeakPolarHBondContact O-CG 3.3Å; Q632-E636 PolarHBondContact O-N 2.96Å
637N90.3Very high94.5Very high50 Ų5062 Ų6227%0.26730%0.295SS..Hα-helixtrans-96.80.8-176.9-67.7-93.7000113.7L597 L633 A634 S635 V639L597-N637 HydrophobicContact CD1-CB 3.87Å; L633-N637 WeakPolarHBondContact CD1-ND2 3.27Å; L633-N637 PolarHBondContact O-N 2.82Å; L633-N637 PolarHBondContact O-ND2 3.43Å; A634-N637 CarbonylContact O-C 3.56Å; A634-N637 PolarHBondContact O-N 2.86Å; S635-N637 PolarHBondContact O-N 2.96Å; N637-V639 VanDerWaalsContact C-N 3.28Å; N637-V639 HydrophobicContact CB-CG1 4.34Å; N637-V639 HydrophobicContact CB-CG2 4.42Å; N637-V639 PolarHBondContact O-N 3.39Å
638K91.3Very high94.3Very high199 Ų19962 Ų6287%0.86530%0.302SS*.THydrogen-bonded Turntrans55.136-177.4-54.1174.1-175.7170.10114.4A634 S635A634-K638 WeakPolarHBondContact O-CA 3.47Å; A634-K638 PolarHBondContact O-N 3.42Å; S635-K638 PolarHBondContact O-N 3.41Å
639V93.6Very high94.1Very high22 Ų2256 Ų5613%0.13328%0.284CS..  trans-103.6154.7178.2-59.90000111.4L597 I610 L612 A634 N637L597-V639 HydrophobicContact CD2-CG1 4.02Å; I610-V639 HydrophobicContact CB-CB 4.24Å; I610-V639 HydrophobicContact CB-CG1 3.77Å; I610-V639 HydrophobicContact CD1-CG1 4.34Å; I610-V639 HydrophobicContact CG2-CB 4.41Å; I610-V639 HydrophobicContact CG2-CG1 4.1Å; L612-V639 HydrophobicContact CB-CG2 4.16Å; A634-V639 HydrophobicContact CB-CG2 3.96Å; A634-V639 PolarHBondContact O-N 3.27Å; N637-V639 VanDerWaalsContact C-N 3.28Å; N637-V639 HydrophobicContact CB-CG1 4.34Å; N637-V639 HydrophobicContact CB-CG2 4.42Å; N637-V639 PolarHBondContact O-N 3.39Å
640M94.9Very high94Very high36 Ų3657.6 Ų57.618%0.17729%0.287CS..EExtended strand (participates in β ladder)trans-69.5146172.5-68.4171.5-79.600109.9P609 I610 L611 L612 H658 L659 I662P609-M640 HydrophobicContact CB-CE 3.79Å; I610-M640 PolarHBondContact O-N 2.84Å; L611-M640 HydrophobicContact CB-CE 4.48Å; L611-M640 HydrophobicContact CD1-CB 3.88Å; L612-M640 WeakPolarHBondContact CB-O 3.48Å; L612-M640 PolarHBondContact N-O 2.82Å; M640-H658 PolarHBondContact SD-ND1 2.85Å; M640-H658 VanDerWaalsContact SD-ND1 3.43Å; M640-L659 HydrophobicContact CE-CD1 3.77Å; M640-I662 HydrophobicContact CE-CG2 4.42Å; M640-I662 HydrophobicContact SD-CB 4.46Å; M640-I662 HydrophobicContact SD-CG1 3.87Å
641F97Very high94Very high33 Ų3359.6 Ų59.615%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-136.4134.6178.8172.7-119.5000112.9Y582 L612 F627 A630 E631 A634 E643Y582-F641 HydrophobicContact CE1-CE2 4.07Å; Y582-F641 WeakPolarHBondContact OH-CE2 3.36Å; L612-F641 HydrophobicContact CB-CD2 4.27Å; L612-F641 HydrophobicContact CD2-CD2 4.06Å; L612-F641 HydrophobicContact CG-CD2 4.02Å; L612-F641 WeakPolarHBondContact O-CA 3.36Å; F627-F641 HydrophobicContact CD2-CE1 4Å; F627-F641 HydrophobicContact CD2-CZ 4.35Å; F627-F641 HydrophobicContact CE1-CE1 4.49Å; F627-F641 AromaticContact CE2-CE1 3.72Å; F627-F641 HydrophobicContact CE2-CE1 3.72Å; F627-F641 HydrophobicContact CE2-CZ 4.36Å; F627-F641 HydrophobicContact CG-CE1 4.49Å; F627-F641 AromaticContact CZ-CE1 3.98Å; F627-F641 HydrophobicContact CZ-CE1 3.98Å; A630-F641 HydrophobicContact CB-CE1 4.03Å; A630-F641 HydrophobicContact CB-CE2 3.76Å; A630-F641 HydrophobicContact CB-CZ 3.44Å; A630-F641 VanDerWaalsContact CB-CZ 3.44Å; E631-F641 HydrophobicContact CB-CD1 4.09Å; E631-F641 HydrophobicContact CB-CE1 4.11Å; A634-F641 HydrophobicContact CB-CB 3.48Å; A634-F641 VanDerWaalsContact CB-CB 3.48Å; A634-F641 HydrophobicContact CB-CG 4.14Å; F641-E643 HydrophobicContact CE2-CG 4.37Å; F641-E643 HydrophobicContact CZ-CG 3.78Å
642F97.5Very high94Very high41 Ų4154.8 Ų54.818%0.1828%0.276CS..EExtended strand (participates in β ladder)trans-140.1142.7168.3-73.1-105.4000109.8L611 L612 L613 G614 V644 E654 H658L611-F642 HydrophobicContact CD1-CD2 3.73Å; L611-F642 HydrophobicContact CD1-CE2 4.31Å; L612-F642 PolarHBondContact O-N 2.7Å; L612-F642 VanDerWaalsContact O-N 3.1Å; L613-F642 VanDerWaalsContact CA-O 3.32Å; L613-F642 WeakPolarHBondContact CA-O 3.47Å; L613-F642 HydrophobicContact CD2-CB 3.82Å; G614-F642 PolarHBondContact N-O 2.98Å; F642-V644 HydrophobicContact CB-CG1 4.44Å; F642-E654 HydrophobicContact CE1-CG 4.39Å; F642-H658 HydrophobicContact CE2-CB 4.18Å; F642-H658 HydrophobicContact CZ-CB 4.06Å
643E96.9Very high93.8Very high8 Ų853.1 Ų53.14%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-84.3142.5156.6-74.3-166.6171.400110.3G614 M617 R623 F627 F641 N651G614-E643 CarbonylContact O-C 3.58Å; G614-E643 WeakPolarHBondContact O-CA 3.2Å; M617-E643 HydrophobicContact CB-CB 4.06Å; M617-E643 HydrophobicContact CE-CB 3.73Å; M617-E643 HydrophobicContact SD-CB 4.05Å; R623-E643 IonicContact CZ-OE1 3.73Å; R623-E643 IonicContact CZ-OE2 3Å; R623-E643 IonicContact NH1-OE1 2.66Å; R623-E643 PolarHBondContact NH1-OE1 3.15Å; R623-E643 IonicContact NH1-OE2 2.6Å; R623-E643 VanDerWaalsContact NH2-CD 3.27Å; R623-E643 IonicContact NH2-OE1 3.64Å; R623-E643 PolarHBondContact NH2-OE1 2.85Å; R623-E643 VanDerWaalsContact NH2-OE1 3.09Å; R623-E643 IonicContact NH2-OE2 3.4Å; R623-E643 PolarHBondContact NH2-OE2 3.49Å; F627-E643 HydrophobicContact CD2-CG 3.84Å; F627-E643 HydrophobicContact CE2-CG 4.23Å; F641-E643 HydrophobicContact CE2-CG 4.37Å; F641-E643 HydrophobicContact CZ-CG 3.78Å; E643-N651 VanDerWaalsContact O-CB 3.24Å; E643-N651 WeakPolarHBondContact O-CB 3.48Å; E643-N651 PolarHBondContact O-ND2 3.29Å
644V96.4Very high93.8Very high0 Ų058.3 Ų58.30%030%0.298CS..  trans-136.4157.3-177.9-61.40000111.3L518 L613 G614 N615 K616 M617 F642 N651 V652L518-V644 HydrophobicContact CD1-CG2 4.41Å; L613-V644 HydrophobicContact CB-CG2 4.25Å; L613-V644 HydrophobicContact CD1-CG2 4.48Å; L613-V644 HydrophobicContact CD2-CG1 3.95Å; G614-V644 PolarHBondContact O-N 3.22Å; N615-V644 CarbonylContact C-O 3.56Å; N615-V644 WeakPolarHBondContact CA-O 3.33Å; N615-V644 HydrophobicContact CB-CG2 4.12Å; N615-V644 PolarHBondContact OD1-O 2.92Å; K616-V644 PolarHBondContact N-O 3.36Å; M617-V644 WeakPolarHBondContact CG-O 3.25Å; M617-V644 PolarHBondContact N-O 3.02Å; M617-V644 VanDerWaalsContact N-O 3.16Å; F642-V644 HydrophobicContact CB-CG1 4.44Å; V644-N651 HydrophobicContact CG1-CB 3.93Å; V644-V652 HydrophobicContact CB-CG2 4.38Å
645S95.3Very high93.9Very high0 Ų058.1 Ų58.10%030%0.296CS..  trans-126104.5169.3170.40000108.7D618 Y647 T648 G649 K650D618-S645 WeakPolarHBondContact OD1-CB 3.35Å; D618-S645 PolarHBondContact OD1-OG 3.37Å; S645-Y647 PolarHBondContact O-N 2.9Å; S645-T648 WeakPolarHBondContact CB-OG1 3.27Å; S645-T648 PolarHBondContact O-N 3.09Å; S645-T648 PolarHBondContact OG-N 2.89Å; S645-T648 PolarHBondContact OG-OG1 2.96Å; S645-G649 CarbonylContact O-C 3.53Å; S645-G649 WeakPolarHBondContact O-CA 3.14Å; S645-G649 PolarHBondContact O-N 3.48Å; S645-K650 PolarHBondContact N-O 2.92Å; S645-K650 PolarHBondContact O-N 3.05Å
646T93.3Very high93.9Very high7 Ų753.8 Ų53.84%0.04327%0.265CS..THydrogen-bonded Turntrans-63.2-25.1173.151.50000112.8L518 S521 F527 N615L518-T646 VanDerWaalsContact CA-CG2 3.47Å; L518-T646 HydrophobicContact CB-CG2 3.67Å; L518-T646 HydrophobicContact CD1-CG2 3.7Å; L518-T646 HydrophobicContact CG-CG2 4.32Å; S521-T646 PolarHBondContact OG-O 3.41Å; F527-T646 WeakPolarHBondContact CB-O 3.39Å; F527-T646 VanDerWaalsContact CD2-O 3.28Å; F527-T646 WeakPolarHBondContact CD2-O 3.28Å; N615-T646 PolarHBondContact ND2-OG1 3.26Å; N615-T646 WeakPolarHBondContact OD1-CG2 3.48Å; N615-T646 PolarHBondContact OD1-N 3.2Å; N615-T646 VanDerWaalsContact OD1-N 3.12Å; N615-T646 PolarHBondContact OD1-OG1 2.96Å
647Y91.2Very high93.9Very high150 Ų15049.6 Ų49.659%0.58825%0.247SC*.THydrogen-bonded Turntrans-71.2-48.5178.4178.9-113.7000112.5F527 S645F527-Y647 AromaticContact CD1-CD2 3.59Å; F527-Y647 HydrophobicContact CD1-CD2 3.59Å; F527-Y647 HydrophobicContact CD1-CE2 4.2Å; F527-Y647 AromaticContact CE1-CD2 3.75Å; F527-Y647 HydrophobicContact CE1-CD2 3.75Å; F527-Y647 HydrophobicContact CE1-CE2 4.39Å; F527-Y647 HydrophobicContact CG-CD2 4.15Å; F527-Y647 HydrophobicContact CZ-CD2 4.44Å; S645-Y647 PolarHBondContact O-N 2.9Å
648T90.9Very high94.2Very high85 Ų8550.4 Ų50.452%0.52125%0.249SC..THydrogen-bonded Turntrans-91-10.6-179.764.30000113.9D618 S645 K650D618-T648 HydrophobicContact CB-CG2 4.32Å; S645-T648 WeakPolarHBondContact CB-OG1 3.27Å; S645-T648 PolarHBondContact O-N 3.09Å; S645-T648 PolarHBondContact OG-N 2.89Å; S645-T648 PolarHBondContact OG-OG1 2.96Å; T648-K650 PolarHBondContact O-N 2.92Å; T648-K650 WeakPolarHBondContact OG1-CB 3.4Å; T648-K650 PolarHBondContact OG1-N 2.92Å
649G90.4Very high94.3Very high31 Ų3141 Ų4132%0.3221%0.208SC..  trans76.9-2.7-171.500000114.3S645 N651 V652S645-G649 CarbonylContact O-C 3.53Å; S645-G649 WeakPolarHBondContact O-CA 3.14Å; S645-G649 PolarHBondContact O-N 3.48Å; G649-N651 PolarHBondContact O-N 3.34Å; G649-V652 PolarHBondContact O-N 2.9Å
650K93.8Very high94.4Very high118 Ų11839.9 Ų39.951%0.51320%0.202SC..THydrogen-bonded Turntrans-60.9132.3-176.6-176.5174.6178.9-173.40111.6M617 S645 T648 V652M617-K650 HydrophobicContact SD-CD 4.1Å; M617-K650 HydrophobicContact SD-CG 4.29Å; S645-K650 PolarHBondContact N-O 2.92Å; S645-K650 PolarHBondContact O-N 3.05Å; T648-K650 PolarHBondContact O-N 2.92Å; T648-K650 WeakPolarHBondContact OG1-CB 3.4Å; T648-K650 PolarHBondContact OG1-N 2.92Å; K650-V652 PolarHBondContact O-N 2.84Å
651N93.7Very high94.3Very high41 Ų4144 Ų4422%0.21922%0.215CC..THydrogen-bonded Turntrans60.6-1.9-179.4-57.23.8000115.8E643 V644 G649 S655E643-N651 VanDerWaalsContact O-CB 3.24Å; E643-N651 WeakPolarHBondContact O-CB 3.48Å; E643-N651 PolarHBondContact O-ND2 3.29Å; V644-N651 HydrophobicContact CG1-CB 3.93Å; G649-N651 PolarHBondContact O-N 3.34Å; N651-S655 WeakPolarHBondContact O-CB 3.35Å; N651-S655 PolarHBondContact O-N 3.35Å; N651-S655 PolarHBondContact O-OG 3.4Å
652V94.1Very high94.2Very high1 Ų144.5 Ų44.51%0.00622%0.219CC..Hα-helixtrans-62.5-54.9-177.4170.90000111.5L518 F522 V644 G649 K650 S655 L656L518-V652 HydrophobicContact CD1-CB 4.19Å; L518-V652 HydrophobicContact CD1-CG1 3.68Å; L518-V652 HydrophobicContact CD1-CG2 3.8Å; F522-V652 HydrophobicContact CB-CG1 3.93Å; F522-V652 HydrophobicContact CD2-CG1 4.45Å; V644-V652 HydrophobicContact CB-CG2 4.38Å; G649-V652 PolarHBondContact O-N 2.9Å; K650-V652 PolarHBondContact O-N 2.84Å; V652-S655 PolarHBondContact O-OG 3.37Å; V652-L656 PolarHBondContact O-N 2.9Å
653T93.2Very high93.9Very high81 Ų8142.8 Ų42.850%0.49721%0.212SC..Hα-helixtrans-68.9-36.3-179.4-49.80000112F522 T657F522-T653 HydrophobicContact CE2-CG2 4.22Å; T653-T657 WeakPolarHBondContact O-CB 3.46Å; T653-T657 PolarHBondContact O-N 3.09Å; T653-T657 PolarHBondContact O-OG1 2.92Å
654E94.1Very high93.7Very high118 Ų11843.1 Ų43.155%0.55121%0.213SC*.Hα-helixtrans-67-49.4-177.2-176.3173.9-166.500112.2F642 T657 H658F642-E654 HydrophobicContact CE1-CG 4.39Å; E654-T657 PolarHBondContact O-N 2.76Å; E654-H658 WeakPolarHBondContact O-CB 3.23Å; E654-H658 PolarHBondContact O-N 3.38Å
655S95.9Very high93.4Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-64-42.9-179.556.50000112.9L611 N651 V652 H658 L659L611-S655 WeakPolarHBondContact CD2-O 3.45Å; N651-S655 WeakPolarHBondContact O-CB 3.35Å; N651-S655 PolarHBondContact O-N 3.35Å; N651-S655 PolarHBondContact O-OG 3.4Å; V652-S655 PolarHBondContact O-OG 3.37Å; S655-H658 WeakPolarHBondContact O-CB 3.48Å; S655-H658 PolarHBondContact O-N 2.88Å; S655-L659 PolarHBondContact O-N 2.92Å
656L94.6Very high93.1Very high2 Ų252.8 Ų52.81%0.0126%0.258CS..Hα-helixtrans-70-32.8175.4-70.1170.2000112.5F522 V579 L611 V652 A660F522-L656 HydrophobicContact CB-CD1 3.83Å; F522-L656 HydrophobicContact CD1-CD1 3.76Å; F522-L656 HydrophobicContact CD2-CB 4.13Å; F522-L656 HydrophobicContact CD2-CD1 3.57Å; F522-L656 HydrophobicContact CD2-CG 4.47Å; F522-L656 HydrophobicContact CE1-CB 4.37Å; F522-L656 HydrophobicContact CE1-CD1 4.06Å; F522-L656 HydrophobicContact CE2-CB 3.63Å; F522-L656 HydrophobicContact CE2-CD1 3.92Å; F522-L656 HydrophobicContact CE2-CG 4.43Å; F522-L656 HydrophobicContact CG-CD1 3.45Å; F522-L656 VanDerWaalsContact CG-CD1 3.45Å; F522-L656 HydrophobicContact CZ-CB 3.74Å; F522-L656 HydrophobicContact CZ-CD1 4.13Å; V579-L656 HydrophobicContact CG2-CD2 3.93Å; L611-L656 HydrophobicContact CD2-CD2 4.38Å; V652-L656 PolarHBondContact O-N 2.9Å; L656-A660 PolarHBondContact O-N 2.86Å
657T94.1Very high92.9Very high18 Ų1855 Ų5511%0.1127%0.268CS..Hα-helixtrans-67-38.1170.8-63.20000111.8L546 T653 E654 A660 R661L546-T657 HydrophobicContact CD1-CG2 4.21Å; L546-T657 HydrophobicContact CD2-CG2 3.54Å; T653-T657 WeakPolarHBondContact O-CB 3.46Å; T653-T657 PolarHBondContact O-N 3.09Å; T653-T657 PolarHBondContact O-OG1 2.92Å; E654-T657 PolarHBondContact O-N 2.76Å; T657-A660 PolarHBondContact O-N 2.62Å; T657-R661 PolarHBondContact O-N 3.27Å; T657-R661 VanDerWaalsContact O-N 3.12Å
658H94.9Very high92.7Very high68 Ų6850.5 Ų50.532%0.31525%0.254SS..Hα-helixtrans-62.2-47.1175.2-172-75000111M640 F642 E654 S655 A660 R661 I662M640-H658 PolarHBondContact SD-ND1 2.85Å; M640-H658 VanDerWaalsContact SD-ND1 3.43Å; F642-H658 HydrophobicContact CE2-CB 4.18Å; F642-H658 HydrophobicContact CZ-CB 4.06Å; E654-H658 WeakPolarHBondContact O-CB 3.23Å; E654-H658 PolarHBondContact O-N 3.38Å; S655-H658 WeakPolarHBondContact O-CB 3.48Å; S655-H658 PolarHBondContact O-N 2.88Å; H658-A660 VanDerWaalsContact C-N 3.32Å; H658-A660 PolarHBondContact O-N 2.68Å; H658-R661 PolarHBondContact O-N 2.87Å; H658-I662 PolarHBondContact O-N 2.81Å
659L95.2Very high92.4Very high0 Ų050.4 Ų50.40%025%0.254CS..Hα-helixtrans-57.3-44.1173.3174.861.5000111.8V505 V579 P609 L611 M640 S655 R661 I662 L663V505-L659 HydrophobicContact CG1-CD2 3.82Å; V505-L659 HydrophobicContact CG2-CD2 4.32Å; V579-L659 HydrophobicContact CG2-CD2 3.61Å; P609-L659 HydrophobicContact CB-CD1 3.91Å; L611-L659 HydrophobicContact CB-CD2 4.27Å; L611-L659 HydrophobicContact CD2-CB 4.02Å; L611-L659 HydrophobicContact CD2-CD2 4.21Å; M640-L659 HydrophobicContact CE-CD1 3.77Å; S655-L659 PolarHBondContact O-N 2.92Å; L659-R661 VanDerWaalsContact C-N 3.33Å; L659-R661 PolarHBondContact O-N 2.89Å; L659-I662 PolarHBondContact O-N 3.41Å; L659-L663 HydrophobicContact CD1-CD1 4.05Å; L659-L663 HydrophobicContact CD1-CG 4.14Å; L659-L663 HydrophobicContact CG-CD1 3.89Å; L659-L663 HydrophobicContact CG-CG 4.44Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.4Å; L659-L663 PolarHBondContact O-N 2.89Å
660A94.3Very high92Very high0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-59.5-38.9178.200000113.3L544 L546 M553 L656 T657 H658 L663 M664L544-A660 HydrophobicContact CD1-CB 3.98Å; L546-A660 HydrophobicContact CD1-CB 3.71Å; M553-A660 HydrophobicContact CE-CB 4.19Å; M553-A660 HydrophobicContact SD-CB 3.93Å; L656-A660 PolarHBondContact O-N 2.86Å; T657-A660 PolarHBondContact O-N 2.62Å; H658-A660 VanDerWaalsContact C-N 3.32Å; H658-A660 PolarHBondContact O-N 2.68Å; A660-L663 PolarHBondContact O-N 3.36Å; A660-M664 WeakPolarHBondContact O-CG 3.39Å; A660-M664 PolarHBondContact O-N 3.18Å; A660-M664 VanDerWaalsContact O-N 3.16Å
661R94.1Very high91.2Very high122 Ų12253.3 Ų53.346%0.4626%0.262SS..Hα-helixtrans-64.2-46.1174.7-68.9-174.1-176.4117.20.8112.6L546 T657 H658 L659 L663 M664 E665L546-R661 HydrophobicContact CD1-CG 4.09Å; T657-R661 PolarHBondContact O-N 3.27Å; T657-R661 VanDerWaalsContact O-N 3.12Å; H658-R661 PolarHBondContact O-N 2.87Å; L659-R661 VanDerWaalsContact C-N 3.33Å; L659-R661 PolarHBondContact O-N 2.89Å; R661-L663 PolarHBondContact O-N 3.43Å; R661-M664 WeakPolarHBondContact O-CB 3.41Å; R661-M664 PolarHBondContact O-N 3.48Å; R661-M664 VanDerWaalsContact O-N 3.12Å; R661-E665 PolarHBondContact O-N 3.14Å
662I93.4Very high90.2Very high44 Ų4456.5 Ų56.523%0.22628%0.279CS..Hα-helixtrans-62-34.9178.6-62.3-60.4000111.3P609 M640 H658 L659 E665 Q666P609-I662 HydrophobicContact CB-CG2 4.15Å; P609-I662 HydrophobicContact CG-CG2 4Å; M640-I662 HydrophobicContact CE-CG2 4.42Å; M640-I662 HydrophobicContact SD-CB 4.46Å; M640-I662 HydrophobicContact SD-CG1 3.87Å; H658-I662 PolarHBondContact O-N 2.81Å; L659-I662 PolarHBondContact O-N 3.41Å; I662-E665 PolarHBondContact O-N 3.49Å; I662-Q666 WeakPolarHBondContact O-CG 3.32Å; I662-Q666 PolarHBondContact O-N 3.48Å
663L92.9Very high89.1Confident5 Ų560.5 Ų60.53%0.02630%0.304CS..Hα-helixtrans-67.1-37.5174.7-67.7167.7000112.7F503 V505 D576 P609 L659 A660 R661 E667F503-L663 HydrophobicContact CB-CD1 4.07Å; F503-L663 HydrophobicContact CD1-CB 4.11Å; F503-L663 HydrophobicContact CD2-CB 3.85Å; F503-L663 HydrophobicContact CD2-CD1 4.34Å; F503-L663 HydrophobicContact CE1-CB 4.09Å; F503-L663 HydrophobicContact CE2-CB 3.84Å; F503-L663 HydrophobicContact CG-CB 4Å; F503-L663 HydrophobicContact CG-CD1 4.17Å; F503-L663 HydrophobicContact CZ-CB 3.96Å; V505-L663 HydrophobicContact CG2-CD1 3.86Å; D576-L663 VanDerWaalsContact C-CD2 3.47Å; D576-L663 HydrophobicContact CB-CD2 4.21Å; D576-L663 WeakPolarHBondContact O-CD2 3.34Å; P609-L663 HydrophobicContact CB-CD2 4.45Å; P609-L663 HydrophobicContact CG-CD2 3.94Å; L659-L663 HydrophobicContact CD1-CD1 4.05Å; L659-L663 HydrophobicContact CD1-CG 4.14Å; L659-L663 HydrophobicContact CG-CD1 3.89Å; L659-L663 HydrophobicContact CG-CG 4.44Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.4Å; L659-L663 PolarHBondContact O-N 2.89Å; A660-L663 PolarHBondContact O-N 3.36Å; R661-L663 PolarHBondContact O-N 3.43Å; L663-E667 WeakPolarHBondContact O-CB 3.28Å; L663-E667 PolarHBondContact O-N 3.02Å
664M91.7Very high87.6Confident14 Ų1460.9 Ų60.97%0.06931%0.306CS..Hα-helixtrans-63.6-48.8172-63.8166.464.900111.6F503 L546 M549 I551 A660 R661 Q666 E667 D668F503-M664 HydrophobicContact CE2-CG 3.84Å; F503-M664 HydrophobicContact CZ-CG 4.18Å; L546-M664 HydrophobicContact CB-SD 4.18Å; L546-M664 HydrophobicContact CD1-SD 4.25Å; M549-M664 HydrophobicContact SD-CE 4.08Å; I551-M664 HydrophobicContact CD1-CE 4.02Å; I551-M664 HydrophobicContact CD1-SD 3.51Å; I551-M664 VanDerWaalsContact CD1-SD 3.51Å; I551-M664 HydrophobicContact CG1-CG 4.36Å; I551-M664 HydrophobicContact CG1-SD 3.99Å; A660-M664 WeakPolarHBondContact O-CG 3.39Å; A660-M664 PolarHBondContact O-N 3.18Å; A660-M664 VanDerWaalsContact O-N 3.16Å; R661-M664 WeakPolarHBondContact O-CB 3.41Å; R661-M664 PolarHBondContact O-N 3.48Å; R661-M664 VanDerWaalsContact O-N 3.12Å; M664-Q666 VanDerWaalsContact C-N 3.31Å; M664-Q666 PolarHBondContact O-N 2.9Å; M664-E667 PolarHBondContact O-N 2.99Å; M664-D668 PolarHBondContact O-N 3.22Å
665E90.8Very high86Confident125 Ų12559.8 Ų59.858%0.58431%0.307SS*.Hα-helixtrans-61.3-38.8-178.4-174.2174.6-156.600112R661 I662 T669R661-E665 PolarHBondContact O-N 3.14Å; I662-E665 PolarHBondContact O-N 3.49Å; E665-T669 WeakPolarHBondContact O-CB 3.39Å; E665-T669 PolarHBondContact O-N 3.3Å; E665-T669 PolarHBondContact O-OG1 3.31Å
666Q88.7Confident84.1Confident78 Ų7863.5 Ų63.536%0.36433%0.333SS..Hα-helixtrans-68.1-44.6172.3-76.5-163.7-20.300113.2S607 P609 I662 M664 D668 T669 V670S607-Q666 PolarHBondContact O-NE2 2.82Å; P609-Q666 VanDerWaalsContact CG-CD 3.48Å; I662-Q666 WeakPolarHBondContact O-CG 3.32Å; I662-Q666 PolarHBondContact O-N 3.48Å; M664-Q666 VanDerWaalsContact C-N 3.31Å; M664-Q666 PolarHBondContact O-N 2.9Å; Q666-D668 VanDerWaalsContact C-N 3.28Å; Q666-D668 PolarHBondContact O-N 2.92Å; Q666-T669 PolarHBondContact O-N 2.78Å; Q666-V670 WeakPolarHBondContact O-CG2 3.32Å; Q666-V670 PolarHBondContact O-N 3.38Å
667E88.2Confident82.1Confident53 Ų5369.6 Ų69.625%0.24837%0.365CS..Hα-helixtrans-59-42177.3-167.5-164.1176.600110.9R501 F503 L663 M664 V670 R671R501-E667 VanDerWaalsContact CD-OE2 3.29Å; R501-E667 WeakPolarHBondContact CD-OE2 3.46Å; R501-E667 IonicContact CZ-OE2 2.79Å; R501-E667 IonicContact NE-OE2 3.69Å; R501-E667 IonicContact NH1-OE2 3.63Å; R501-E667 PolarHBondContact NH1-OE2 2.9Å; F503-E667 HydrophobicContact CE1-CB 4.27Å; F503-E667 HydrophobicContact CZ-CB 4.39Å; L663-E667 WeakPolarHBondContact O-CB 3.28Å; L663-E667 PolarHBondContact O-N 3.02Å; M664-E667 PolarHBondContact O-N 2.99Å; E667-V670 PolarHBondContact O-N 2.81Å; E667-R671 WeakPolarHBondContact O-CG 3.36Å; E667-R671 PolarHBondContact O-N 3.32Å; E667-R671 IonicContact OE1-CZ 3.14Å; E667-R671 IonicContact OE1-NH1 2.7Å; E667-R671 PolarHBondContact OE1-NH1 2.83Å; E667-R671 IonicContact OE1-NH2 2.74Å; E667-R671 PolarHBondContact OE1-NH2 3.47Å; E667-R671 IonicContact OE2-NH1 2.73Å; E667-R671 PolarHBondContact OE2-NH1 3.33Å
668D87.4Confident80.1Confident56 Ų5673.5 Ų73.530%0.29939%0.393SS..Hα-helixtrans-70.7-40.7179.2-69.3-17.2000112.1R501 M664 Q666 V670 R671 D672R501-D668 IonicContact CZ-OD1 3.19Å; R501-D668 VanDerWaalsContact CZ-OD1 3.3Å; R501-D668 IonicContact CZ-OD2 2.64Å; R501-D668 VanDerWaalsContact NH1-CG 3.32Å; R501-D668 IonicContact NH1-OD1 2.71Å; R501-D668 PolarHBondContact NH1-OD1 3.41Å; R501-D668 IonicContact NH1-OD2 2.7Å; R501-D668 PolarHBondContact NH1-OD2 3.32Å; R501-D668 VanDerWaalsContact NH2-CG 3.27Å; R501-D668 IonicContact NH2-OD1 3.59Å; R501-D668 PolarHBondContact NH2-OD1 2.8Å; R501-D668 IonicContact NH2-OD2 3.77Å; R501-D668 PolarHBondContact NH2-OD2 2.92Å; M664-D668 PolarHBondContact O-N 3.22Å; Q666-D668 VanDerWaalsContact C-N 3.28Å; Q666-D668 PolarHBondContact O-N 2.92Å; D668-V670 VanDerWaalsContact C-N 3.29Å; D668-V670 PolarHBondContact O-N 3.27Å; D668-R671 WeakPolarHBondContact O-CB 3.29Å; D668-R671 PolarHBondContact O-N 2.81Å; D668-R671 VanDerWaalsContact O-N 3.16Å; D668-R671 IonicContact OD1-NH1 2.99Å; D668-D672 PolarHBondContact O-N 3.35Å
669T85.1Confident78Confident83 Ų8373.9 Ų73.951%0.50941%0.408SS..Hα-helixtrans-57.7-41.9172.4-59.30000111.7E665 Q666 T673E665-T669 WeakPolarHBondContact O-CB 3.39Å; E665-T669 PolarHBondContact O-N 3.3Å; E665-T669 PolarHBondContact O-OG1 3.31Å; Q666-T669 PolarHBondContact O-N 2.78Å; T669-T673 WeakPolarHBondContact O-CB 3.3Å; T669-T673 PolarHBondContact O-N 2.8Å; T669-T673 VanDerWaalsContact O-N 3.13Å; T669-T673 PolarHBondContact O-OG1 2.8Å
670V81.4Confident75.5Confident94 Ų9481.1 Ų81.157%0.5744%0.442SS*.Hα-helixtrans-69.4-39.2176.9172.20000111.4Q666 E667 D668 T674Q666-V670 WeakPolarHBondContact O-CG2 3.32Å; Q666-V670 PolarHBondContact O-N 3.38Å; E667-V670 PolarHBondContact O-N 2.81Å; D668-V670 VanDerWaalsContact C-N 3.29Å; D668-V670 PolarHBondContact O-N 3.27Å; V670-T674 WeakPolarHBondContact O-CB 3.44Å; V670-T674 PolarHBondContact O-N 2.88Å; V670-T674 PolarHBondContact O-OG1 2.91Å
671R77.6Confident73.3Confident116 Ų11686.5 Ų86.544%0.43848%0.477SS..Hα-helixtrans-60.1-53.9173.7-81.4177.5157.2127.212.2112E667 D668 T673 T674 V675E667-R671 WeakPolarHBondContact O-CG 3.36Å; E667-R671 PolarHBondContact O-N 3.32Å; E667-R671 IonicContact OE1-CZ 3.14Å; E667-R671 IonicContact OE1-NH1 2.7Å; E667-R671 PolarHBondContact OE1-NH1 2.83Å; E667-R671 IonicContact OE1-NH2 2.74Å; E667-R671 PolarHBondContact OE1-NH2 3.47Å; E667-R671 IonicContact OE2-NH1 2.73Å; E667-R671 PolarHBondContact OE2-NH1 3.33Å; D668-R671 WeakPolarHBondContact O-CB 3.29Å; D668-R671 PolarHBondContact O-N 2.81Å; D668-R671 VanDerWaalsContact O-N 3.16Å; D668-R671 IonicContact OD1-NH1 2.99Å; R671-T673 VanDerWaalsContact C-N 3.3Å; R671-T673 PolarHBondContact O-N 2.87Å; R671-T674 WeakPolarHBondContact O-CA 3.41Å; R671-T674 WeakPolarHBondContact O-CB 3.24Å; R671-T674 PolarHBondContact O-N 2.87Å; R671-V675 WeakPolarHBondContact O-CG2 3.39Å; R671-V675 PolarHBondContact O-N 3.41Å
672D73.2Confident71.2Confident109 Ų10988.1 Ų88.158%0.58349%0.493SS*.Hα-helixtrans-63.8-36.9-176.8-77.8-8.9000112.1D668 T674 V675 S676D668-D672 PolarHBondContact O-N 3.35Å; D672-T674 VanDerWaalsContact C-N 3.34Å; D672-V675 PolarHBondContact O-N 3.39Å; D672-S676 WeakPolarHBondContact O-CB 3.44Å; D672-S676 PolarHBondContact O-N 3.06Å; D672-S676 PolarHBondContact O-OG 3.08Å
673T70.4Confident69Low84 Ų8495.2 Ų95.252%0.51552%0.522SS..Hα-helixtrans-62.3-42.4172.3-56.60000111.2T669 R671 S676 L677T669-T673 WeakPolarHBondContact O-CB 3.3Å; T669-T673 PolarHBondContact O-N 2.8Å; T669-T673 VanDerWaalsContact O-N 3.13Å; T669-T673 PolarHBondContact O-OG1 2.8Å; R671-T673 VanDerWaalsContact C-N 3.3Å; R671-T673 PolarHBondContact O-N 2.87Å; T673-S676 PolarHBondContact O-N 3.5Å; T673-L677 PolarHBondContact O-N 3.28Å
674T62.6Low66.7Low90 Ų90104.4 Ų104.455%0.55256%0.562SS**Hα-helixtrans-67.6-42.8178.8-56.80000111.9V670 R671 D672 S676 L677V670-T674 WeakPolarHBondContact O-CB 3.44Å; V670-T674 PolarHBondContact O-N 2.88Å; V670-T674 PolarHBondContact O-OG1 2.91Å; R671-T674 WeakPolarHBondContact O-CA 3.41Å; R671-T674 WeakPolarHBondContact O-CB 3.24Å; R671-T674 PolarHBondContact O-N 2.87Å; D672-T674 VanDerWaalsContact C-N 3.34Å; T674-S676 VanDerWaalsContact C-N 3.34Å; T674-S676 PolarHBondContact O-N 2.76Å; T674-L677 PolarHBondContact O-N 3.41Å
675V60.3Low64.8Low94 Ų94113.2 Ų113.257%0.5760%0.6SS**Hα-helixtrans-61.1-43.8175.7172.40000110.6R671 D672 L677 S678R671-V675 WeakPolarHBondContact O-CG2 3.39Å; R671-V675 PolarHBondContact O-N 3.41Å; D672-V675 PolarHBondContact O-N 3.39Å; V675-L677 VanDerWaalsContact C-N 3.29Å; V675-L677 PolarHBondContact O-N 3.44Å; V675-S678 WeakPolarHBondContact O-CB 3.31Å; V675-S678 PolarHBondContact O-N 3.09Å; V675-S678 VanDerWaalsContact O-N 3.1Å; V675-S678 PolarHBondContact O-OG 2.89Å
676S55.3Low63.1Low79 Ų79112.4 Ų112.455%0.55262%0.615SS**Hα-helixtrans-60.9-33.2-179.3-63.50000113.8D672 T673 T674 S678 A679D672-S676 WeakPolarHBondContact O-CB 3.44Å; D672-S676 PolarHBondContact O-N 3.06Å; D672-S676 PolarHBondContact O-OG 3.08Å; T673-S676 PolarHBondContact O-N 3.5Å; T674-S676 VanDerWaalsContact C-N 3.34Å; T674-S676 PolarHBondContact O-N 2.76Å; S676-S678 VanDerWaalsContact C-N 3.28Å; S676-S678 PolarHBondContact O-N 2.88Å; S676-A679 PolarHBondContact O-N 3.18Å
677L53.6Low61.1Low130 Ų130114.7 Ų114.768%0.68164%0.638SS**Hα-helixtrans-66.6-28.4177.1-72169.9000113T673 T674 V675 A679T673-L677 PolarHBondContact O-N 3.28Å; T674-L677 PolarHBondContact O-N 3.41Å; V675-L677 VanDerWaalsContact C-N 3.29Å; V675-L677 PolarHBondContact O-N 3.44Å; L677-A679 VanDerWaalsContact C-N 3.29Å; L677-A679 PolarHBondContact O-N 3.22Å
678S52.2Low59.3Low99 Ų99118.3 Ų118.369%0.69267%0.668SS**Hα-helixtrans-73.3-18.4178.675.10000113.9V675 S676V675-S678 WeakPolarHBondContact O-CB 3.31Å; V675-S678 PolarHBondContact O-N 3.09Å; V675-S678 VanDerWaalsContact O-N 3.1Å; V675-S678 PolarHBondContact O-OG 2.89Å; S676-S678 VanDerWaalsContact C-N 3.28Å; S676-S678 PolarHBondContact O-N 2.88Å
679A50.8Low57.2Low77 Ų77129.3 Ų129.364%0.63671%0.713SS**THydrogen-bonded Turntrans-87.4-4.2-170.200000114.9S676 L677S676-A679 PolarHBondContact O-N 3.18Å; L677-A679 VanDerWaalsContact C-N 3.29Å; L677-A679 PolarHBondContact O-N 3.22Å
680Q41.5Very low55.8Low151 Ų151131.7 Ų131.771%0.70672%0.723SS**SBendtrans-83.6122.6-179.5-64.7-160.914.500112.2I682Q680-I682 PolarHBondContact O-N 2.88Å
681P47.5Very low54.5Low113 Ų113133.6 Ų133.673%0.73473%0.731SS**  trans-71115.9-17927.6-33.8000111.3K683P681-K683 PolarHBondContact O-N 2.88Å
682I50Low53.2Low157 Ų157134.6 Ų134.681%0.80575%0.748SS**  trans-62.698.5-179.4-57.2173.5000110.2Q680 K684Q680-I682 PolarHBondContact O-N 2.88Å; I682-K684 PolarHBondContact O-N 3.43Å
683K48Very low52Low192 Ų192136.1 Ų136.184%0.83576%0.757SS**  trans-69.889.3172.8-71.6-175.9179.3177.30110.1P681 K685P681-K683 PolarHBondContact O-N 2.88Å; K683-K685 PolarHBondContact O-N 3.41Å
684K45.5Very low50.9Low198 Ų198139.4 Ų139.486%0.86177%0.772SS**  trans-53.2107.4173-65.1-176.2-179.9-177.90110.2I682I682-K684 PolarHBondContact O-N 3.43Å
685K50.1Low50.1Low199 Ų199142.7 Ų142.787%0.86579%0.787SS**  trans-77.2118.2165-71.5-175.8178.1179.30108K683K683-K685 PolarHBondContact O-N 3.41Å
686A55.1Low49.4Very low108 Ų108146.1 Ų146.189%0.89380%0.803SS**  trans-69.7130.4168.900000109.2
687C46.8Very low48.9Very low127 Ų127151.3 Ų151.386%0.85882%0.822SS**  trans-116101.7174.5-168.40000108.8
688C51.6Low48.5Very low129 Ų129153.1 Ų153.187%0.87283%0.834SS**  trans177.8127.1157.4-104.40000109.5
689K43.3Very low48.2Very low287 Ų287158 Ų158100%1.24885%0.847SS**  trans-159.20152.5-106.1-157.7176.4-168.90108.9

Retrieved 689 of 689 residues in 162.7 ms (Link to these results)

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