A0A087XWE6_POEFO Loading...

Josephin-2

Cleaves 'Lys-63'-linked poly-ubiquitin chains, and with lesser efficiency 'Lys-48'-linked poly-ubiquitin chains (in vitro). May act as a deubiquitinating enzyme.

AlphaFold DB (A0A3B3UB41), UniProt , Accession A0A087XWE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 184 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
1M39.1Very low75Confident237 Ų23799.6 Ų99.6100%1.16751%0.508SS*.  0111.10-66.9166.5-17900104.6D3M1-D3 PolarHBondContact O-N 3.36Å; M1-D3 VanDerWaalsContact O-N 3.1Å
2N40.1Very low75.2Confident167 Ų167105.8 Ų105.889%0.89352%0.52SS*.  trans-68.3109.5179.8-123.714.6000106G4N2-G4 PolarHBondContact O-N 3.44Å
3D49.1Very low75.6Confident163 Ų163108.2 Ų108.287%0.87254%0.535SS*.  trans-59.894.6166.8-89.5-28.6000106.5M1 E5M1-D3 PolarHBondContact O-N 3.36Å; M1-D3 VanDerWaalsContact O-N 3.1Å; D3-E5 PolarHBondContact O-N 3.22Å
4G60.5Low75.8Confident36 Ų36104.4 Ų104.437%0.37152%0.515SS..  trans-66115.1-15800000111.8N2 V6N2-G4 PolarHBondContact O-N 3.44Å; G4-V6 PolarHBondContact O-N 3.3Å
5E85.6Confident76.4Confident189 Ų18998.7 Ų98.788%0.88349%0.487SS*.PPolyproline II helixtrans-53.2131.4172.2-171.4174.9-162.100110.3D3 F7D3-E5 PolarHBondContact O-N 3.22Å; E5-F7 PolarHBondContact O-N 3.36Å
6V93.5Very high77.2Confident25 Ų2592.9 Ų92.915%0.15246%0.46CS..PPolyproline II helixtrans-66.5117.8177.7177.90000108.5G4 H8 V124 Y129 L131 P138G4-V6 PolarHBondContact O-N 3.3Å; V6-H8 PolarHBondContact O-N 2.94Å; V6-V124 HydrophobicContact CG1-CG2 4.21Å; V6-V124 HydrophobicContact CG2-CB 4.19Å; V6-V124 HydrophobicContact CG2-CG1 4.01Å; V6-Y129 HydrophobicContact CG1-CD2 4.44Å; V6-Y129 HydrophobicContact CG1-CG 4.35Å; V6-Y129 HydrophobicContact CG2-CD2 4.29Å; V6-Y129 HydrophobicContact CG2-CE1 4.27Å; V6-Y129 HydrophobicContact CG2-CE2 3.96Å; V6-L131 HydrophobicContact CG1-CD2 3.81Å; V6-P138 HydrophobicContact CB-CB 4.24Å; V6-P138 HydrophobicContact CB-CG 3.81Å; V6-P138 HydrophobicContact CG1-CB 3.85Å; V6-P138 HydrophobicContact CG1-CG 3.71Å
7F95.7Very high78Confident60 Ų6087.6 Ų87.626%0.26343%0.434SS..PPolyproline II helixtrans-64.9127.5179.1175.8-88.8000109.9E5 E9 N22 Q26 R28E5-F7 PolarHBondContact O-N 3.36Å; F7-E9 HydrophobicContact CE1-CB 4.05Å; F7-E9 HydrophobicContact CZ-CB 4.08Å; F7-N22 HydrophobicContact CE1-CB 3.99Å; F7-N22 HydrophobicContact CZ-CB 4.43Å; F7-Q26 HydrophobicContact CB-CB 4.35Å; F7-Q26 PolarHBondContact O-NE2 3.31Å; F7-R28 HydrophobicContact CE2-CB 4.1Å; F7-R28 HydrophobicContact CZ-CB 3.83Å
8H95.3Very high78.8Confident33 Ų3382.9 Ų82.915%0.15341%0.411CS..  trans-143.3114.8176.8-177-108.3000111.4V6 D132 L135 P138V6-H8 PolarHBondContact O-N 2.94Å; H8-D132 PolarHBondContact NE2-O 3.36Å; H8-L135 PolarHBondContact CE1-O 3.37Å; H8-P138 HydrophobicContact CB-CG 3.82Å
9E92.6Very high79.6Confident15 Ų1578.8 Ų78.87%0.0739%0.39CS..PPolyproline II helixtrans-95121.4172-164.5177.3-152.400110.5F7 H19 N22 N23 R28 S133F7-E9 HydrophobicContact CE1-CB 4.05Å; F7-E9 HydrophobicContact CZ-CB 4.08Å; E9-H19 WeakPolarHBondContact CG-ND1 3.5Å; E9-H19 IonicContact OE1-CE1 3.82Å; E9-H19 IonicContact OE1-ND1 3.7Å; E9-H19 IonicContact OE2-CE1 3.72Å; E9-H19 IonicContact OE2-CG 3.91Å; E9-H19 IonicContact OE2-ND1 2.86Å; E9-H19 PolarHBondContact OE2-ND1 3.38Å; E9-N22 PolarHBondContact OE2-ND2 3.21Å; E9-N23 WeakPolarHBondContact CB-OD1 3.28Å; E9-N23 PolarHBondContact N-OD1 3.02Å; E9-N23 PolarHBondContact O-ND2 3.1Å; E9-N23 VanDerWaalsContact O-ND2 3.17Å; E9-R28 IonicContact OE1-CZ 3.99Å; E9-R28 IonicContact OE1-NH1 2.78Å; E9-R28 PolarHBondContact OE1-NH1 3.4Å; E9-R28 IonicContact OE1-NH2 2.85Å; E9-S133 WeakPolarHBondContact O-CB 3.5Å
10K90.4Very high80.4Confident114 Ų11475 Ų7550%0.49637%0.371SS..PPolyproline II helixtrans-80146.7177.4-66.5176.5-177.6175.70111.6R12 S133 K136K10-R12 PolarHBondContact O-N 2.59Å; K10-S133 CarbonylContact C-O 3.53Å; K10-S133 WeakPolarHBondContact CA-O 3.46Å; K10-K136 WeakPolarHBondContact CE-O 3.32Å; K10-K136 PolarHBondContact NZ-O 2.97Å
11Q83.4Confident81.1Confident57 Ų5771.6 Ų71.627%0.26636%0.355SS..PPolyproline II helixtrans-62.9131.1-176.5-170.6169.5-15.400111L13 H117 S133Q11-L13 PolarHBondContact NE2-O 3.12Å; Q11-H117 PolarHBondContact OE1-CE1 3.18Å; Q11-H117 VanDerWaalsContact OE1-CE1 3.29Å; Q11-S133 WeakPolarHBondContact CB-OG 3.4Å; Q11-S133 PolarHBondContact N-O 3.35Å
12R77.6Confident83.9Confident174 Ų17460.3 Ų60.366%0.65730%0.299SS*.  trans-120.7129.1164.3-61-175.3-178.3-166.10.5108.4K10 L15 H19K10-R12 PolarHBondContact O-N 2.59Å; R12-L15 WeakPolarHBondContact O-CB 3.46Å; R12-L15 WeakPolarHBondContact O-CG 3.04Å; R12-L15 PolarHBondContact O-N 3.43Å; R12-H19 PolarHBondContact N-NE2 3.2Å
13L79.6Confident86.6Confident136 Ų13652.3 Ų52.371%0.71226%0.257SS*.THydrogen-bonded Turntrans56.3-138.1179.8-52.2172.5000111.6Q11Q11-L13 PolarHBondContact NE2-O 3.12Å
14E79.3Confident88.9Confident56 Ų5644.6 Ų44.626%0.26222%0.215SC..THydrogen-bonded Turntrans-98.920.2179.4-61.6-171.8130.600112.9C16 T57 G58 N59 R115E14-C16 PolarHBondContact O-N 3.07Å; E14-T57 WeakPolarHBondContact OE2-CB 2.82Å; E14-T57 PolarHBondContact OE2-OG1 2.83Å; E14-G58 CarbonylContact C-O 3.55Å; E14-G58 CarbonylContact O-C 3.56Å; E14-N59 HydrophobicContact CB-CB 4.28Å; E14-R115 IonicContact OE1-NH1 2.84Å; E14-R115 PolarHBondContact OE1-NH1 2.78Å
15L84.2Confident90.6Very high18 Ų1843.9 Ų43.99%0.09420%0.203CC..  trans-80.527-173.6-57.8170.8000114.4R12 A17 I18 H19 K32 Y60R12-L15 WeakPolarHBondContact O-CB 3.46Å; R12-L15 WeakPolarHBondContact O-CG 3.04Å; R12-L15 PolarHBondContact O-N 3.43Å; L15-A17 PolarHBondContact O-N 3.46Å; L15-A17 VanDerWaalsContact O-N 3.15Å; L15-I18 HydrophobicContact CB-CD1 4.48Å; L15-I18 HydrophobicContact CD2-CD1 3.9Å; L15-I18 PolarHBondContact O-N 3.38Å; L15-H19 PolarHBondContact O-CD2 3.32Å; L15-H19 PolarHBondContact O-N 3.08Å; L15-H19 VanDerWaalsContact O-N 3.14Å; L15-K32 HydrophobicContact CD1-CB 4.48Å; L15-K32 HydrophobicContact CD2-CB 4.28Å; L15-K32 HydrophobicContact CD2-CD 4.47Å; L15-K32 HydrophobicContact CD2-CG 4.02Å; L15-Y60 HydrophobicContact CD2-CE2 3.69Å
16C89.1Confident91.1Very high7 Ų737 Ų375%0.04717%0.171CC..Hα-helixtrans-57.9-32.6-173.556.60000113.4E14 H19 A20 H117 W118E14-C16 PolarHBondContact O-N 3.07Å; C16-H19 PolarHBondContact O-N 2.64Å; C16-A20 WeakPolarHBondContact O-CB 3.28Å; C16-A20 PolarHBondContact O-N 2.91Å; C16-H117 WeakPolarHBondContact CB-ND1 3.48Å; C16-W118 HydrophobicContact CB-CB 4.44Å
17A90.4Very high91.1Very high2 Ų240.8 Ų40.82%0.01719%0.186CC..Hα-helixtrans-61.7-43.6174.900000112.8L15 A20 L21 Y60 I65 W118L15-A17 PolarHBondContact O-N 3.46Å; L15-A17 VanDerWaalsContact O-N 3.15Å; A17-A20 PolarHBondContact O-N 3.4Å; A17-L21 WeakPolarHBondContact O-CG 3.34Å; A17-L21 PolarHBondContact O-N 3.39Å; A17-Y60 HydrophobicContact CB-CD2 4.49Å; A17-I65 HydrophobicContact CB-CD1 4.13Å; A17-I65 HydrophobicContact CB-CG1 4.15Å; A17-W118 HydrophobicContact CB-CG 4.29Å
18I92.3Very high91Very high4 Ų444.8 Ų44.82%0.02120%0.2CC..Hα-helixtrans-66.1-45.6178.2-62.1-176.2000110.1L15 A20 L21 N22 F30 K32 A35 Y60L15-I18 HydrophobicContact CB-CD1 4.48Å; L15-I18 HydrophobicContact CD2-CD1 3.9Å; L15-I18 PolarHBondContact O-N 3.38Å; I18-A20 VanDerWaalsContact C-N 3.31Å; I18-A20 PolarHBondContact O-N 2.79Å; I18-L21 WeakPolarHBondContact O-CB 3.29Å; I18-L21 PolarHBondContact O-N 2.84Å; I18-N22 PolarHBondContact O-N 2.93Å; I18-F30 HydrophobicContact CG2-CB 3.94Å; I18-F30 WeakPolarHBondContact CG2-O 3.44Å; I18-K32 HydrophobicContact CD1-CB 4.47Å; I18-A35 HydrophobicContact CD1-CB 3.52Å; I18-A35 HydrophobicContact CG1-CB 3.92Å; I18-Y60 HydrophobicContact CD1-CD2 4.15Å; I18-Y60 HydrophobicContact CD1-CE2 3.51Å; I18-Y60 HydrophobicContact CG1-CD2 3.95Å; I18-Y60 HydrophobicContact CG1-CE2 3.85Å
19H94.1Very high90.8Very high5 Ų545.3 Ų45.32%0.02321%0.205CC..Hα-helixtrans-65.6-37.5-179.8-58.7-46.3000111.5E9 R12 L15 C16 N22 N23E9-H19 WeakPolarHBondContact CG-ND1 3.5Å; E9-H19 IonicContact OE1-CE1 3.82Å; E9-H19 IonicContact OE1-ND1 3.7Å; E9-H19 IonicContact OE2-CE1 3.72Å; E9-H19 IonicContact OE2-CG 3.91Å; E9-H19 IonicContact OE2-ND1 2.86Å; E9-H19 PolarHBondContact OE2-ND1 3.38Å; R12-H19 PolarHBondContact N-NE2 3.2Å; L15-H19 PolarHBondContact O-CD2 3.32Å; L15-H19 PolarHBondContact O-N 3.08Å; L15-H19 VanDerWaalsContact O-N 3.14Å; C16-H19 PolarHBondContact O-N 2.64Å; H19-N22 PolarHBondContact O-N 3.36Å; H19-N23 WeakPolarHBondContact O-CB 3.24Å; H19-N23 PolarHBondContact O-N 3.42Å; H19-N23 PolarHBondContact O-ND2 3.05Å; H19-N23 PolarHBondContact O-OD1 2.71Å
20A96Very high90.7Very high1 Ų145.1 Ų45.11%0.00820%0.204CC..Hα-helixtrans-61-44.4172.100000111.6C16 A17 I18 N23 V24 I97 W118 A120C16-A20 WeakPolarHBondContact O-CB 3.28Å; C16-A20 PolarHBondContact O-N 2.91Å; A17-A20 PolarHBondContact O-N 3.4Å; I18-A20 VanDerWaalsContact C-N 3.31Å; I18-A20 PolarHBondContact O-N 2.79Å; A20-N23 PolarHBondContact O-N 2.69Å; A20-V24 WeakPolarHBondContact O-CB 3.48Å; A20-V24 WeakPolarHBondContact O-CG1 3.39Å; A20-V24 PolarHBondContact O-N 3.42Å; A20-I97 HydrophobicContact CB-CG2 4.37Å; A20-W118 HydrophobicContact CB-CB 4.02Å; A20-A120 HydrophobicContact CB-CB 4.29Å; A20-A120 WeakPolarHBondContact O-CB 3.4Å
21L96.1Very high90.7Very high4 Ų441.6 Ų41.62%0.02119%0.192CC..Hα-helixtrans-59.7-50.3174.8-76.4165000112.3A17 I18 N23 V24 L25 F30 I65 A68 L69 I97A17-L21 WeakPolarHBondContact O-CG 3.34Å; A17-L21 PolarHBondContact O-N 3.39Å; I18-L21 WeakPolarHBondContact O-CB 3.29Å; I18-L21 PolarHBondContact O-N 2.84Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 3.23Å; L21-V24 WeakPolarHBondContact O-CG1 3.44Å; L21-V24 PolarHBondContact O-N 3.12Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.32Å; L21-L25 PolarHBondContact O-N 3.2Å; L21-L25 VanDerWaalsContact O-N 3.08Å; L21-F30 HydrophobicContact CB-CD2 3.82Å; L21-F30 HydrophobicContact CB-CE2 4.3Å; L21-F30 HydrophobicContact CD1-CD2 4.16Å; L21-F30 HydrophobicContact CD1-CG 4.44Å; L21-F30 HydrophobicContact CG-CD2 4.49Å; L21-I65 HydrophobicContact CD2-CG2 3.98Å; L21-I65 HydrophobicContact CG-CG2 4.49Å; L21-A68 HydrophobicContact CD1-CB 3.53Å; L21-A68 HydrophobicContact CD2-CB 4.03Å; L21-A68 HydrophobicContact CG-CB 4.44Å; L21-L69 HydrophobicContact CD2-CD1 4.43Å; L21-L69 HydrophobicContact CD2-CD2 3.83Å; L21-L69 HydrophobicContact CD2-CG 3.79Å; L21-I97 HydrophobicContact CD2-CD1 4.27Å
22N96.2Very high90.8Very high0 Ų042.3 Ų42.30%019%0.194CC..Hα-helixtrans-64.2-40.9-179.7-70.3-18.9000111.7F7 E9 I18 H19 L25 Q26 E27 V29 F30F7-N22 HydrophobicContact CE1-CB 3.99Å; F7-N22 HydrophobicContact CZ-CB 4.43Å; E9-N22 PolarHBondContact OE2-ND2 3.21Å; I18-N22 PolarHBondContact O-N 2.93Å; H19-N22 PolarHBondContact O-N 3.36Å; N22-L25 CarbonylContact O-C 3.59Å; N22-L25 PolarHBondContact O-N 3.27Å; N22-Q26 PolarHBondContact O-N 3.3Å; N22-E27 CarbonylContact C-O 3.6Å; N22-E27 VanDerWaalsContact CA-O 3.23Å; N22-E27 WeakPolarHBondContact CA-O 2.99Å; N22-E27 VanDerWaalsContact CB-O 3.32Å; N22-E27 WeakPolarHBondContact CB-O 3.02Å; N22-E27 PolarHBondContact O-N 3.14Å; N22-E27 VanDerWaalsContact O-N 3.11Å; N22-E27 PolarHBondContact OD1-O 2.76Å; N22-V29 PolarHBondContact OD1-N 2.94Å; N22-V29 VanDerWaalsContact OD1-N 3.1Å; N22-F30 PolarHBondContact ND2-O 2.55Å; N22-F30 PolarHBondContact OD1-N 3.08Å
23N97.2Very high91.2Very high0 Ų039.7 Ų39.70%019%0.19CC..Hα-helixtrans-66.7-43.7179-71.9-9.6000112E9 H19 A20 L21 L25 Q26 A120 L131E9-N23 WeakPolarHBondContact CB-OD1 3.28Å; E9-N23 PolarHBondContact N-OD1 3.02Å; E9-N23 PolarHBondContact O-ND2 3.1Å; E9-N23 VanDerWaalsContact O-ND2 3.17Å; H19-N23 WeakPolarHBondContact O-CB 3.24Å; H19-N23 PolarHBondContact O-N 3.42Å; H19-N23 PolarHBondContact O-ND2 3.05Å; H19-N23 PolarHBondContact O-OD1 2.71Å; A20-N23 PolarHBondContact O-N 2.69Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 3.23Å; N23-L25 VanDerWaalsContact C-N 3.29Å; N23-L25 PolarHBondContact O-N 2.92Å; N23-Q26 PolarHBondContact O-N 3.31Å; N23-Q26 PolarHBondContact O-NE2 3.15Å; N23-A120 HydrophobicContact CB-CB 3.86Å; N23-L131 HydrophobicContact CB-CB 3.77Å; N23-L131 HydrophobicContact CB-CD1 4.04Å; N23-L131 PolarHBondContact ND2-O 3.26Å; N23-L131 VanDerWaalsContact O-CD1 3.29Å; N23-L131 WeakPolarHBondContact O-CD1 3.44Å
24V97.3Very high91.4Very high0 Ų035.7 Ų35.70%017%0.171CC..Hα-helixtrans-68.1-31.8178.876.80000112.2A20 L21 Q26 I97 A120 R122 V165A20-V24 WeakPolarHBondContact O-CB 3.48Å; A20-V24 WeakPolarHBondContact O-CG1 3.39Å; A20-V24 PolarHBondContact O-N 3.42Å; L21-V24 WeakPolarHBondContact O-CG1 3.44Å; L21-V24 PolarHBondContact O-N 3.12Å; V24-Q26 VanDerWaalsContact C-N 3.33Å; V24-I97 HydrophobicContact CB-CG1 4.45Å; V24-I97 HydrophobicContact CG1-CD1 4.11Å; V24-I97 HydrophobicContact CG1-CG1 4.23Å; V24-A120 HydrophobicContact CB-CB 3.96Å; V24-R122 WeakPolarHBondContact O-CD 3.42Å; V24-R122 PolarHBondContact O-NH1 3.4Å; V24-V165 HydrophobicContact CG1-CG2 4.24Å; V24-V165 HydrophobicContact CG2-CB 4.39Å; V24-V165 HydrophobicContact CG2-CG2 4.05Å
25L96.4Very high91.6Very high21 Ų2133.1 Ų33.111%0.1116%0.16CC..Hα-helixtrans-82.1-9.7175.9-64177.9000113.6L21 N22 N23 E27 V29 F30 L69 L74L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.32Å; L21-L25 PolarHBondContact O-N 3.2Å; L21-L25 VanDerWaalsContact O-N 3.08Å; N22-L25 CarbonylContact O-C 3.59Å; N22-L25 PolarHBondContact O-N 3.27Å; N23-L25 VanDerWaalsContact C-N 3.29Å; N23-L25 PolarHBondContact O-N 2.92Å; L25-E27 PolarHBondContact O-N 3.48Å; L25-V29 HydrophobicContact CD1-CG2 4.3Å; L25-F30 HydrophobicContact CD1-CD2 4.29Å; L25-F30 HydrophobicContact CD1-CE2 3.61Å; L25-L69 HydrophobicContact CD2-CD2 4.41Å; L25-L74 HydrophobicContact CD2-CD1 3.49Å; L25-L74 VanDerWaalsContact CD2-CD1 3.49Å
26Q96.1Very high91.4Very high45 Ų4533.7 Ų33.721%0.2116%0.162CC..THydrogen-bonded Turntrans57.230.6-176.6-68.2-70.2-72.800113.7F7 N22 N23 V24 R122 V124F7-Q26 HydrophobicContact CB-CB 4.35Å; F7-Q26 PolarHBondContact O-NE2 3.31Å; N22-Q26 PolarHBondContact O-N 3.3Å; N23-Q26 PolarHBondContact O-N 3.31Å; N23-Q26 PolarHBondContact O-NE2 3.15Å; V24-Q26 VanDerWaalsContact C-N 3.33Å; Q26-R122 HydrophobicContact CG-CG 3.87Å; Q26-V124 HydrophobicContact CG-CG2 3.95Å
27E94.3Very high91.1Very high104 Ų10437 Ų3749%0.48618%0.18SC..SBendtrans-155.9145.4-177.7-176.1-179.2-16400110N22 L25 V29 R72N22-E27 CarbonylContact C-O 3.6Å; N22-E27 VanDerWaalsContact CA-O 3.23Å; N22-E27 WeakPolarHBondContact CA-O 2.99Å; N22-E27 VanDerWaalsContact CB-O 3.32Å; N22-E27 WeakPolarHBondContact CB-O 3.02Å; N22-E27 PolarHBondContact O-N 3.14Å; N22-E27 VanDerWaalsContact O-N 3.11Å; N22-E27 PolarHBondContact OD1-O 2.76Å; L25-E27 PolarHBondContact O-N 3.48Å; E27-V29 VanDerWaalsContact C-N 3.29Å; E27-V29 HydrophobicContact CB-CG2 3.81Å; E27-V29 HydrophobicContact CG-CG2 3.75Å; E27-V29 PolarHBondContact O-N 3.49Å; E27-R72 IonicContact OE2-CZ 3.15Å; E27-R72 IonicContact OE2-NH2 3.81Å; E27-R72 PolarHBondContact OE2-NH2 3.41Å
28R92.4Very high90.7Very high145 Ų14537.3 Ų37.355%0.54718%0.181SC..  trans-79.675.7174.6-169-169.9178.393.610.4110.8F7 E9F7-R28 HydrophobicContact CE2-CB 4.1Å; F7-R28 HydrophobicContact CZ-CB 3.83Å; E9-R28 IonicContact OE1-CZ 3.99Å; E9-R28 IonicContact OE1-NH1 2.78Å; E9-R28 PolarHBondContact OE1-NH1 3.4Å; E9-R28 IonicContact OE1-NH2 2.85Å
29V91.1Very high90Very high43 Ų4337.1 Ų37.126%0.26118%0.18SC..  trans-89.2-40.9-176.1-175.40000112.1N22 L25 E27N22-V29 PolarHBondContact OD1-N 2.94Å; N22-V29 VanDerWaalsContact OD1-N 3.1Å; L25-V29 HydrophobicContact CD1-CG2 4.3Å; E27-V29 VanDerWaalsContact C-N 3.29Å; E27-V29 HydrophobicContact CB-CG2 3.81Å; E27-V29 HydrophobicContact CG-CG2 3.75Å; E27-V29 PolarHBondContact O-N 3.49Å
30F91.4Very high89.1Confident11 Ų1142.2 Ų42.25%0.04820%0.202CC..  trans-105.5135.4-173.7-61-74.9000111.1I18 L21 N22 L25 T34 I38 A68 R72I18-F30 HydrophobicContact CG2-CB 3.94Å; I18-F30 WeakPolarHBondContact CG2-O 3.44Å; L21-F30 HydrophobicContact CB-CD2 3.82Å; L21-F30 HydrophobicContact CB-CE2 4.3Å; L21-F30 HydrophobicContact CD1-CD2 4.16Å; L21-F30 HydrophobicContact CD1-CG 4.44Å; L21-F30 HydrophobicContact CG-CD2 4.49Å; N22-F30 PolarHBondContact ND2-O 2.55Å; N22-F30 PolarHBondContact OD1-N 3.08Å; L25-F30 HydrophobicContact CD1-CD2 4.29Å; L25-F30 HydrophobicContact CD1-CE2 3.61Å; F30-T34 WeakPolarHBondContact CA-OG1 3.47Å; F30-I38 HydrophobicContact CD1-CD1 4.25Å; F30-I38 HydrophobicContact CE1-CD1 4.17Å; F30-A68 HydrophobicContact CD1-CB 4.21Å; F30-A68 HydrophobicContact CE1-CB 3.68Å; F30-A68 HydrophobicContact CE2-CB 4.06Å; F30-A68 HydrophobicContact CZ-CB 3.61Å; F30-A68 VanDerWaalsContact CZ-O 3.28Å; F30-A68 WeakPolarHBondContact CZ-O 3.48Å; F30-R72 HydrophobicContact CZ-CG 4.01Å
31T89.8Confident88.2Confident41 Ų4150 Ų5025%0.25223%0.231SC..  trans-118.1170.3169.675.10000110.2E33 T34 A35T31-E33 WeakPolarHBondContact CB-OE2 3.33Å; T31-E33 PolarHBondContact O-N 3.02Å; T31-E33 PolarHBondContact OG1-N 3.04Å; T31-E33 PolarHBondContact OG1-OE2 3.15Å; T31-T34 PolarHBondContact N-OG1 3.16Å; T31-T34 PolarHBondContact O-N 2.77Å; T31-T34 PolarHBondContact O-OG1 3.2Å; T31-T34 PolarHBondContact OG1-N 3.16Å; T31-A35 PolarHBondContact O-N 3.36Å
32K85.5Confident87Confident71 Ų7153.3 Ų53.331%0.30925%0.249SC..Hα-helixtrans-53.1-43175-172.8-171.5177.4-175.60111.3L15 I18 A35 D36 G56 Y60L15-K32 HydrophobicContact CD1-CB 4.48Å; L15-K32 HydrophobicContact CD2-CB 4.28Å; L15-K32 HydrophobicContact CD2-CD 4.47Å; L15-K32 HydrophobicContact CD2-CG 4.02Å; I18-K32 HydrophobicContact CD1-CB 4.47Å; K32-A35 PolarHBondContact O-N 3.04Å; K32-D36 WeakPolarHBondContact O-CB 3.39Å; K32-D36 VanDerWaalsContact O-CG 3.29Å; K32-D36 PolarHBondContact O-N 3.47Å; K32-G56 WeakPolarHBondContact CE-O 3.32Å; K32-G56 PolarHBondContact NZ-O 2.99Å; K32-Y60 WeakPolarHBondContact CG-OH 3.44Å; K32-Y60 PolarHBondContact O-OH 3.16Å
33E85.6Confident85.5Confident120 Ų12053.8 Ų53.856%0.56125%0.253SS*.Hα-helixtrans-61.4-48.7-179.5-5970-147.700110.6T31 A35 D36 D37T31-E33 WeakPolarHBondContact CB-OE2 3.33Å; T31-E33 PolarHBondContact O-N 3.02Å; T31-E33 PolarHBondContact OG1-N 3.04Å; T31-E33 PolarHBondContact OG1-OE2 3.15Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 2.91Å; E33-D36 PolarHBondContact O-N 3.4Å; E33-D37 PolarHBondContact O-N 3.32Å
34T85.5Confident83.7Confident52 Ų5258.5 Ų58.532%0.31928%0.283SS..Hα-helixtrans-64.9-36.6177.763.10000112.7F30 T31 D37 I38F30-T34 WeakPolarHBondContact CA-OG1 3.47Å; T31-T34 PolarHBondContact N-OG1 3.16Å; T31-T34 PolarHBondContact O-N 2.77Å; T31-T34 PolarHBondContact O-OG1 3.2Å; T31-T34 PolarHBondContact OG1-N 3.16Å; T34-D37 PolarHBondContact O-N 3.05Å; T34-I38 VanDerWaalsContact O-CG1 3.32Å; T34-I38 WeakPolarHBondContact O-CG1 3.48Å; T34-I38 PolarHBondContact O-N 3.15Å
35A82Confident81.7Confident2 Ų266.9 Ų66.92%0.01732%0.322CS..Hα-helixtrans-69-38.8176.400000111.6I18 T31 K32 E33 D37 I38 C39 Y60 V64I18-A35 HydrophobicContact CD1-CB 3.52Å; I18-A35 HydrophobicContact CG1-CB 3.92Å; T31-A35 PolarHBondContact O-N 3.36Å; K32-A35 PolarHBondContact O-N 3.04Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 2.91Å; A35-D37 VanDerWaalsContact C-N 3.3Å; A35-D37 PolarHBondContact O-N 2.84Å; A35-I38 WeakPolarHBondContact O-CB 3.48Å; A35-I38 PolarHBondContact O-N 3.15Å; A35-C39 PolarHBondContact O-N 2.91Å; A35-C39 PolarHBondContact O-SG 3.26Å; A35-Y60 HydrophobicContact CB-CD1 4.44Å; A35-Y60 HydrophobicContact CB-CD2 4.33Å; A35-Y60 HydrophobicContact CB-CE1 3.92Å; A35-Y60 HydrophobicContact CB-CE2 3.82Å; A35-V64 HydrophobicContact CB-CG1 4.32Å
36D80.7Confident79.6Confident29 Ų2969.2 Ų69.216%0.15534%0.339CS..Hα-helixtrans-64.4-35.7174.1-75.9-18.7000111.6K32 E33 C39 K40 R52 Y60K32-D36 WeakPolarHBondContact O-CB 3.39Å; K32-D36 VanDerWaalsContact O-CG 3.29Å; K32-D36 PolarHBondContact O-N 3.47Å; E33-D36 PolarHBondContact O-N 3.4Å; D36-C39 WeakPolarHBondContact O-CB 3.33Å; D36-C39 PolarHBondContact O-N 3.44Å; D36-K40 WeakPolarHBondContact O-CG 3.46Å; D36-K40 PolarHBondContact O-N 2.93Å; D36-R52 IonicContact OD1-NH1 3.86Å; D36-Y60 WeakPolarHBondContact OD1-CE1 3.34Å; D36-Y60 PolarHBondContact OD1-OH 2.82Å
37D83.3Confident77.6Confident77 Ų7774.2 Ų74.241%0.41237%0.373SS..Hα-helixtrans-71.7-36.2174.4-70.5-20.6000112.5E33 T34 A35 C39 K40 R41E33-D37 PolarHBondContact O-N 3.32Å; T34-D37 PolarHBondContact O-N 3.05Å; A35-D37 VanDerWaalsContact C-N 3.3Å; A35-D37 PolarHBondContact O-N 2.84Å; D37-C39 VanDerWaalsContact C-N 3.32Å; D37-K40 PolarHBondContact O-N 3.3Å; D37-K40 IonicContact OD1-NZ 3.68Å; D37-K40 PolarHBondContact OD1-NZ 3.09Å; D37-R41 WeakPolarHBondContact O-CG 3.21Å; D37-R41 PolarHBondContact O-N 2.81Å
38I81.9Confident75.7Confident8 Ų873.6 Ų73.64%0.04138%0.376CS..Hα-helixtrans-58.3-47.4168-69.5163.7000110F30 T34 A35 K40 R41 L42 V64 A67 A68F30-I38 HydrophobicContact CD1-CD1 4.25Å; F30-I38 HydrophobicContact CE1-CD1 4.17Å; T34-I38 VanDerWaalsContact O-CG1 3.32Å; T34-I38 WeakPolarHBondContact O-CG1 3.48Å; T34-I38 PolarHBondContact O-N 3.15Å; A35-I38 WeakPolarHBondContact O-CB 3.48Å; A35-I38 PolarHBondContact O-N 3.15Å; I38-K40 VanDerWaalsContact C-N 3.35Å; I38-K40 PolarHBondContact O-N 3.49Å; I38-R41 PolarHBondContact O-N 3.45Å; I38-L42 HydrophobicContact CG2-CD1 3.91Å; I38-L42 HydrophobicContact CG2-CG 4.39Å; I38-L42 WeakPolarHBondContact O-CG 3.45Å; I38-L42 PolarHBondContact O-N 3.27Å; I38-V64 HydrophobicContact CB-CG1 4.46Å; I38-V64 HydrophobicContact CG2-CG1 4.06Å; I38-A67 HydrophobicContact CG2-CB 3.61Å; I38-A68 HydrophobicContact CD1-CB 3.88Å
39C77.4Confident73.9Confident0 Ų067.1 Ų67.10%035%0.352CS..Hα-helixtrans-57.8-46.2177.8-67.20000111.8A35 D36 D37 R41 L42 A43 N49 Y60 V64A35-C39 PolarHBondContact O-N 2.91Å; A35-C39 PolarHBondContact O-SG 3.26Å; D36-C39 WeakPolarHBondContact O-CB 3.33Å; D36-C39 PolarHBondContact O-N 3.44Å; D37-C39 VanDerWaalsContact C-N 3.32Å; C39-R41 VanDerWaalsContact C-N 3.31Å; C39-R41 PolarHBondContact O-N 2.91Å; C39-L42 PolarHBondContact O-N 2.73Å; C39-A43 PolarHBondContact O-N 3Å; C39-A43 VanDerWaalsContact O-N 3.11Å; C39-N49 WeakPolarHBondContact CB-ND2 3.45Å; C39-N49 PolarHBondContact O-ND2 2.81Å; C39-Y60 WeakPolarHBondContact SG-CD1 3.3Å; C39-V64 WeakPolarHBondContact SG-CG2 3.29Å
40K75.1Confident72.5Confident112 Ų11269.2 Ų69.249%0.48737%0.366SS..Hα-helixtrans-60.6-39.9178.3-70.7170.2-161.7156.80112D36 D37 I38 A43 P44D36-K40 WeakPolarHBondContact O-CG 3.46Å; D36-K40 PolarHBondContact O-N 2.93Å; D37-K40 PolarHBondContact O-N 3.3Å; D37-K40 IonicContact OD1-NZ 3.68Å; D37-K40 PolarHBondContact OD1-NZ 3.09Å; I38-K40 VanDerWaalsContact C-N 3.35Å; I38-K40 PolarHBondContact O-N 3.49Å; K40-A43 CarbonylContact O-C 3.56Å; K40-A43 VanDerWaalsContact O-C 3.23Å; K40-A43 PolarHBondContact O-N 3.5Å; K40-P44 WeakPolarHBondContact O-CA 3.32Å; K40-P44 VanDerWaalsContact O-N 3.12Å
41R76.4Confident70.9Confident166 Ų16670.1 Ų70.163%0.62637%0.371SS*.Hα-helixtrans-68.5-35.5177.4-71-173.8-58.2152.65.6112.9D37 I38 C39 A43D37-R41 WeakPolarHBondContact O-CG 3.21Å; D37-R41 PolarHBondContact O-N 2.81Å; I38-R41 PolarHBondContact O-N 3.45Å; C39-R41 VanDerWaalsContact C-N 3.31Å; C39-R41 PolarHBondContact O-N 2.91Å; R41-A43 VanDerWaalsContact C-N 3.33Å
42L72.2Confident69.4Low73 Ų7371.7 Ų71.738%0.38237%0.372SS..Hα-helixtrans-69.7-30.4177.1-71.2172000112.5I38 C39 N63 V64 A67I38-L42 HydrophobicContact CG2-CD1 3.91Å; I38-L42 HydrophobicContact CG2-CG 4.39Å; I38-L42 WeakPolarHBondContact O-CG 3.45Å; I38-L42 PolarHBondContact O-N 3.27Å; C39-L42 PolarHBondContact O-N 2.73Å; L42-N63 HydrophobicContact CD1-CB 4.06Å; L42-V64 HydrophobicContact CD1-CG2 4.45Å; L42-A67 HydrophobicContact CD1-CB 4.11Å; L42-A67 HydrophobicContact CD2-CB 4.19Å; L42-A67 HydrophobicContact CG-CB 4.42Å
43A64.1Low68.2Low10 Ų1070 Ų708%0.08337%0.369CS..SBendtrans-135.569.7179.200000111.8C39 K40 R41 Q45 C46 P50C39-A43 PolarHBondContact O-N 3Å; C39-A43 VanDerWaalsContact O-N 3.11Å; K40-A43 CarbonylContact O-C 3.56Å; K40-A43 VanDerWaalsContact O-C 3.23Å; K40-A43 PolarHBondContact O-N 3.5Å; R41-A43 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 3.32Å; A43-C46 HydrophobicContact CB-CB 4.08Å; A43-C46 PolarHBondContact O-N 2.74Å; A43-P50 HydrophobicContact CB-CG 4.33Å
44P59.4Low66.5Low98 Ų9870 Ų7064%0.63638%0.378SS*.THydrogen-bonded Turntrans-69.4-19.8-17126-32.6000113.7K40K40-P44 WeakPolarHBondContact O-CA 3.32Å; K40-P44 VanDerWaalsContact O-N 3.12Å
45Q55.5Low65.1Low177 Ų17775 Ų7583%0.82740%0.401SS*.THydrogen-bonded Turntrans-102.85.9-176.3-55.3-61.1-9.300113.5A43A43-Q45 PolarHBondContact O-N 3.32Å
46C51.4Low63.9Low69 Ų6976 Ų7647%0.46641%0.412SS..  trans-107.5119.9-174.2-62.30000111.8A43 V48A43-C46 HydrophobicContact CB-CB 4.08Å; A43-C46 PolarHBondContact O-N 2.74Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 WeakPolarHBondContact CB-O 3.34Å
47V54Low63Low151 Ų15176.8 Ų76.892%0.91542%0.418SS*.SBendtrans-67.5-35.1174.5-174.50000111.3
48V55.2Low61.9Low91 Ų9173.1 Ų73.155%0.55240%0.399SS*.SBendtrans-104.1116.3168.8-179.40000107.7C46 P50 V54C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 WeakPolarHBondContact CB-O 3.34Å; V48-P50 WeakPolarHBondContact O-CD 3.28Å; V48-V54 HydrophobicContact CG1-CG1 4.42Å; V48-V54 HydrophobicContact CG1-CG2 3.94Å
49N54.9Low61.6Low9 Ų976 Ų765%0.04841%0.414CS..  trans-80.8117.7-176.6-168.6-60.4000110.3C39 H51 R52C39-N49 WeakPolarHBondContact CB-ND2 3.45Å; C39-N49 PolarHBondContact O-ND2 2.81Å; N49-H51 PolarHBondContact O-N 3.2Å; N49-H51 WeakPolarHBondContact OD1-CB 3.4Å; N49-H51 PolarHBondContact OD1-N 3.26Å; N49-R52 HydrophobicContact CB-CG 4.03Å; N49-R52 PolarHBondContact O-N 2.88Å; N49-R52 VanDerWaalsContact O-O 3.12Å
50P60.4Low61.8Low86 Ų8676 Ų7656%0.55841%0.414SS*.THydrogen-bonded Turntrans-69.9-15.3-175.128.7-34.3000113.4A43 V48A43-P50 HydrophobicContact CB-CG 4.33Å; V48-P50 WeakPolarHBondContact O-CD 3.28Å
51H57.8Low62.2Low31 Ų3172.9 Ų72.914%0.14440%0.402CS..THydrogen-bonded Turntrans-93.25.5-174.9-53.7-59.8000113.8N49 Y60 D61 N63 V64N49-H51 PolarHBondContact O-N 3.2Å; N49-H51 WeakPolarHBondContact OD1-CB 3.4Å; N49-H51 PolarHBondContact OD1-N 3.26Å; H51-Y60 WeakPolarHBondContact O-CA 3.11Å; H51-D61 IonicContact CE1-OD2 2.8Å; H51-D61 IonicContact CG-OD2 3.54Å; H51-D61 IonicContact ND1-OD1 2.77Å; H51-D61 IonicContact ND1-OD2 3.2Å; H51-D61 PolarHBondContact ND1-OD2 3.21Å; H51-D61 PolarHBondContact O-N 2.94Å; H51-N63 PolarHBondContact ND1-ND2 2.99Å; H51-V64 HydrophobicContact CB-CG2 4.03Å
52R60.1Low62.6Low73 Ų7366.2 Ų66.228%0.27538%0.38SS..BIsolated β-bridgetrans-142.1154.1173.671.5-174.2-174.3-161.1-2.7110.8D36 N49 V54 Y60D36-R52 IonicContact OD1-NH1 3.86Å; N49-R52 HydrophobicContact CB-CG 4.03Å; N49-R52 PolarHBondContact O-N 2.88Å; N49-R52 VanDerWaalsContact O-O 3.12Å; R52-V54 PolarHBondContact O-N 3.25Å; R52-Y60 HydrophobicContact CB-CD1 4.14Å; R52-Y60 HydrophobicContact CB-CE1 4.18Å
53S58.6Low63.3Low36 Ų3665.8 Ų65.825%0.25238%0.378SS..  trans-55.6136.3168.9-72.80000111.5L55 G56 N59S53-L55 PolarHBondContact O-N 3.46Å; S53-G56 PolarHBondContact O-N 3.31Å; S53-N59 PolarHBondContact N-O 3.19Å; S53-N59 WeakPolarHBondContact OG-CB 3.35Å
54V51.1Low64.4Low121 Ų12165.4 Ų65.473%0.73338%0.375SS*.THydrogen-bonded Turntrans-54-27.7-179.4-175.60000112.3V48 R52 G56V48-V54 HydrophobicContact CG1-CG1 4.42Å; V48-V54 HydrophobicContact CG1-CG2 3.94Å; R52-V54 PolarHBondContact O-N 3.25Å; V54-G56 VanDerWaalsContact C-N 3.3Å; V54-G56 PolarHBondContact O-N 2.94Å
55L55.1Low65.9Low155 Ų15560.8 Ų60.881%0.81235%0.345SS*.THydrogen-bonded Turntrans-80.3-0.8177.7-60.4176.5000114.5S53 T57S53-L55 PolarHBondContact O-N 3.46Å; L55-T57 HydrophobicContact CB-CG2 3.96Å; L55-T57 PolarHBondContact O-N 3.04Å
56G57.7Low67.6Low24 Ų2455.1 Ų55.125%0.24732%0.319CS..  trans66.622.7176.900000114.7K32 S53 V54 G58K32-G56 WeakPolarHBondContact CE-O 3.32Å; K32-G56 PolarHBondContact NZ-O 2.99Å; S53-G56 PolarHBondContact O-N 3.31Å; V54-G56 VanDerWaalsContact C-N 3.3Å; V54-G56 PolarHBondContact O-N 2.94Å; G56-G58 VanDerWaalsContact C-N 3.32Å
57T60.5Low69.4Low45 Ų4552.4 Ų52.428%0.27630%0.302SS..SBendtrans-78.1-13-175.952.60000114E14 L55E14-T57 WeakPolarHBondContact OE2-CB 2.82Å; E14-T57 PolarHBondContact OE2-OG1 2.83Å; L55-T57 HydrophobicContact CB-CG2 3.96Å; L55-T57 PolarHBondContact O-N 3.04Å
58G62Low71.2Confident1 Ų145.2 Ų45.21%0.0126%0.258CS..  trans98.214.4173.300000116.3E14 G56 Y60E14-G58 CarbonylContact C-O 3.55Å; E14-G58 CarbonylContact O-C 3.56Å; G56-G58 VanDerWaalsContact C-N 3.32Å; G58-Y60 VanDerWaalsContact C-N 3.33Å; G58-Y60 WeakPolarHBondContact O-CD2 3.35Å; G58-Y60 VanDerWaalsContact O-CE2 3.25Å; G58-Y60 WeakPolarHBondContact O-CE2 3.49Å; G58-Y60 PolarHBondContact O-N 3.23Å
59N75.1Confident73.1Confident67 Ų6740.9 Ų40.936%0.35823%0.232SC..  trans-74.286.6169.9-176.718.8000109.9E14 S53E14-N59 HydrophobicContact CB-CB 4.28Å; S53-N59 PolarHBondContact N-O 3.19Å; S53-N59 WeakPolarHBondContact OG-CB 3.35Å
60Y81.2Confident74.9Confident2 Ų245.4 Ų45.41%0.00825%0.253CS..BIsolated β-bridgetrans-85.5144.2-179.9-58.1-74.6000111.7L15 A17 I18 K32 A35 D36 C39 H51 R52 G58 V64 W118L15-Y60 HydrophobicContact CD2-CE2 3.69Å; A17-Y60 HydrophobicContact CB-CD2 4.49Å; I18-Y60 HydrophobicContact CD1-CD2 4.15Å; I18-Y60 HydrophobicContact CD1-CE2 3.51Å; I18-Y60 HydrophobicContact CG1-CD2 3.95Å; I18-Y60 HydrophobicContact CG1-CE2 3.85Å; K32-Y60 WeakPolarHBondContact CG-OH 3.44Å; K32-Y60 PolarHBondContact O-OH 3.16Å; A35-Y60 HydrophobicContact CB-CD1 4.44Å; A35-Y60 HydrophobicContact CB-CD2 4.33Å; A35-Y60 HydrophobicContact CB-CE1 3.92Å; A35-Y60 HydrophobicContact CB-CE2 3.82Å; D36-Y60 WeakPolarHBondContact OD1-CE1 3.34Å; D36-Y60 PolarHBondContact OD1-OH 2.82Å; C39-Y60 WeakPolarHBondContact SG-CD1 3.3Å; H51-Y60 WeakPolarHBondContact O-CA 3.11Å; R52-Y60 HydrophobicContact CB-CD1 4.14Å; R52-Y60 HydrophobicContact CB-CE1 4.18Å; G58-Y60 VanDerWaalsContact C-N 3.33Å; G58-Y60 WeakPolarHBondContact O-CD2 3.35Å; G58-Y60 VanDerWaalsContact O-CE2 3.25Å; G58-Y60 WeakPolarHBondContact O-CE2 3.49Å; G58-Y60 PolarHBondContact O-N 3.23Å; Y60-V64 HydrophobicContact CD1-CG1 4.21Å; Y60-V64 HydrophobicContact CD1-CG2 4.07Å; Y60-V64 HydrophobicContact CG-CG1 4.21Å; Y60-V64 HydrophobicContact CG-CG2 4.42Å; Y60-W118 PolarHBondContact O-NE1 3.03Å
61D84.1Confident76.4Confident45 Ų4544.9 Ų44.924%0.24125%0.251CS..  trans-83.3-180175.977.712.4000112.9H51 N63 V64H51-D61 IonicContact CE1-OD2 2.8Å; H51-D61 IonicContact CG-OD2 3.54Å; H51-D61 IonicContact ND1-OD1 2.77Å; H51-D61 IonicContact ND1-OD2 3.2Å; H51-D61 PolarHBondContact ND1-OD2 3.21Å; H51-D61 PolarHBondContact O-N 2.94Å; D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.35Å; D61-N63 WeakPolarHBondContact OD1-CA 3.47Å; D61-N63 VanDerWaalsContact OD1-CB 3.27Å; D61-N63 WeakPolarHBondContact OD1-CB 2.98Å; D61-N63 PolarHBondContact OD1-N 3.41Å; D61-N63 PolarHBondContact OD1-ND2 3.26Å; D61-N63 PolarHBondContact OD2-ND2 3.02Å; D61-V64 PolarHBondContact O-N 2.87Å; D61-V64 PolarHBondContact OD1-N 2.87Å
62V85.1Confident78.1Confident26 Ų2648.5 Ų48.516%0.15826%0.263CS..Hα-helixtrans-62.8-28.6-179.963.70000113.6V64 I65 M66 W118 L163V62-V64 VanDerWaalsContact C-N 3.27Å; V62-V64 PolarHBondContact O-N 2.98Å; V62-I65 WeakPolarHBondContact O-CB 3.3Å; V62-I65 PolarHBondContact O-N 3.42Å; V62-I65 VanDerWaalsContact O-N 3.09Å; V62-M66 HydrophobicContact CG2-CG 4.28Å; V62-M66 HydrophobicContact CG2-SD 4.4Å; V62-M66 WeakPolarHBondContact O-CG 3.39Å; V62-M66 PolarHBondContact O-N 2.82Å; V62-W118 HydrophobicContact CB-CH2 3.93Å; V62-W118 HydrophobicContact CB-CZ2 4.16Å; V62-W118 HydrophobicContact CG2-CH2 4.18Å; V62-L163 HydrophobicContact CG2-CD1 3.77Å
63N85.9Confident79.7Confident65 Ų6549.5 Ų49.535%0.34827%0.274SS..Hα-helixtrans-67.2-34.7-177.8-58.8-58.9000110.9L42 H51 D61 I65 M66 A67L42-N63 HydrophobicContact CD1-CB 4.06Å; H51-N63 PolarHBondContact ND1-ND2 2.99Å; D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.35Å; D61-N63 WeakPolarHBondContact OD1-CA 3.47Å; D61-N63 VanDerWaalsContact OD1-CB 3.27Å; D61-N63 WeakPolarHBondContact OD1-CB 2.98Å; D61-N63 PolarHBondContact OD1-N 3.41Å; D61-N63 PolarHBondContact OD1-ND2 3.26Å; D61-N63 PolarHBondContact OD2-ND2 3.02Å; N63-I65 VanDerWaalsContact C-N 3.33Å; N63-M66 PolarHBondContact O-N 2.96Å; N63-A67 VanDerWaalsContact O-CB 3.28Å; N63-A67 WeakPolarHBondContact O-CB 3.28Å; N63-A67 PolarHBondContact O-N 3.44Å
64V88.4Confident81.5Confident2 Ų248.4 Ų48.41%0.01227%0.265CS..Hα-helixtrans-63.8-41.3173.4-176.40000110.7A35 I38 C39 L42 H51 Y60 D61 V62 A68A35-V64 HydrophobicContact CB-CG1 4.32Å; I38-V64 HydrophobicContact CB-CG1 4.46Å; I38-V64 HydrophobicContact CG2-CG1 4.06Å; C39-V64 WeakPolarHBondContact SG-CG2 3.29Å; L42-V64 HydrophobicContact CD1-CG2 4.45Å; H51-V64 HydrophobicContact CB-CG2 4.03Å; Y60-V64 HydrophobicContact CD1-CG1 4.21Å; Y60-V64 HydrophobicContact CD1-CG2 4.07Å; Y60-V64 HydrophobicContact CG-CG1 4.21Å; Y60-V64 HydrophobicContact CG-CG2 4.42Å; D61-V64 PolarHBondContact O-N 2.87Å; D61-V64 PolarHBondContact OD1-N 2.87Å; V62-V64 VanDerWaalsContact C-N 3.27Å; V62-V64 PolarHBondContact O-N 2.98Å; V64-A68 WeakPolarHBondContact O-CB 3.5Å; V64-A68 PolarHBondContact O-N 3.11Å
65I90.8Very high83.7Confident0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-62.5-48.9176.2-63.3175.1000110.5A17 L21 V62 N63 A68 L69 I97 W118 L163A17-I65 HydrophobicContact CB-CD1 4.13Å; A17-I65 HydrophobicContact CB-CG1 4.15Å; L21-I65 HydrophobicContact CD2-CG2 3.98Å; L21-I65 HydrophobicContact CG-CG2 4.49Å; V62-I65 WeakPolarHBondContact O-CB 3.3Å; V62-I65 PolarHBondContact O-N 3.42Å; V62-I65 VanDerWaalsContact O-N 3.09Å; N63-I65 VanDerWaalsContact C-N 3.33Å; I65-A68 PolarHBondContact O-N 3.27Å; I65-L69 HydrophobicContact CG2-CD1 4.09Å; I65-L69 WeakPolarHBondContact O-CG 3.29Å; I65-L69 PolarHBondContact O-N 2.92Å; I65-I97 HydrophobicContact CD1-CG2 4.35Å; I65-I97 HydrophobicContact CG2-CD1 3.67Å; I65-W118 HydrophobicContact CD1-CD2 3.59Å; I65-W118 HydrophobicContact CD1-CE3 3.73Å; I65-W118 HydrophobicContact CD1-CG 4.07Å; I65-W118 HydrophobicContact CD1-CH2 4.08Å; I65-W118 HydrophobicContact CD1-CZ2 3.98Å; I65-W118 HydrophobicContact CD1-CZ3 3.93Å; I65-L163 HydrophobicContact CG2-CD1 4.23Å
66M90.4Very high85.6Confident58 Ų5835.8 Ų35.829%0.28620%0.196SC..Hα-helixtrans-60.9-48179.2-67.6-178.471.300111.7V62 N63 A68 L69 Q70 A76V62-M66 HydrophobicContact CG2-CG 4.28Å; V62-M66 HydrophobicContact CG2-SD 4.4Å; V62-M66 WeakPolarHBondContact O-CG 3.39Å; V62-M66 PolarHBondContact O-N 2.82Å; N63-M66 PolarHBondContact O-N 2.96Å; M66-A68 VanDerWaalsContact C-N 3.32Å; M66-A68 PolarHBondContact O-N 3.01Å; M66-L69 PolarHBondContact O-N 3.37Å; M66-Q70 VanDerWaalsContact O-CG 3.3Å; M66-Q70 WeakPolarHBondContact O-CG 3.41Å; M66-Q70 PolarHBondContact O-N 3.37Å; M66-A76 HydrophobicContact CG-CB 4.04Å
67A89.5Confident87.4Confident13 Ų1335.3 Ų35.311%0.10719%0.188CC..Hα-helixtrans-65.9-33.9179.800000112.9I38 L42 N63 S71I38-A67 HydrophobicContact CG2-CB 3.61Å; L42-A67 HydrophobicContact CD1-CB 4.11Å; L42-A67 HydrophobicContact CD2-CB 4.19Å; L42-A67 HydrophobicContact CG-CB 4.42Å; N63-A67 VanDerWaalsContact O-CB 3.28Å; N63-A67 WeakPolarHBondContact O-CB 3.28Å; N63-A67 PolarHBondContact O-N 3.44Å; A67-S71 PolarHBondContact O-N 2.92Å
68A91.9Very high89.1Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-65.8-43.7173.700000111.8L21 F30 I38 V64 I65 M66 S71L21-A68 HydrophobicContact CD1-CB 3.53Å; L21-A68 HydrophobicContact CD2-CB 4.03Å; L21-A68 HydrophobicContact CG-CB 4.44Å; F30-A68 HydrophobicContact CD1-CB 4.21Å; F30-A68 HydrophobicContact CE1-CB 3.68Å; F30-A68 HydrophobicContact CE2-CB 4.06Å; F30-A68 HydrophobicContact CZ-CB 3.61Å; F30-A68 VanDerWaalsContact CZ-O 3.28Å; F30-A68 WeakPolarHBondContact CZ-O 3.48Å; I38-A68 HydrophobicContact CD1-CB 3.88Å; V64-A68 WeakPolarHBondContact O-CB 3.5Å; V64-A68 PolarHBondContact O-N 3.11Å; I65-A68 PolarHBondContact O-N 3.27Å; M66-A68 VanDerWaalsContact C-N 3.32Å; M66-A68 PolarHBondContact O-N 3.01Å; A68-S71 PolarHBondContact O-N 2.93Å; A68-S71 PolarHBondContact O-OG 2.82Å
69L94Very high90.7Very high0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-66.5-40.7177-69.1170.7000111.7L21 L25 I65 M66 S71 R72 D73 L74 A76 I97 V165L21-L69 HydrophobicContact CD2-CD1 4.43Å; L21-L69 HydrophobicContact CD2-CD2 3.83Å; L21-L69 HydrophobicContact CD2-CG 3.79Å; L25-L69 HydrophobicContact CD2-CD2 4.41Å; I65-L69 HydrophobicContact CG2-CD1 4.09Å; I65-L69 WeakPolarHBondContact O-CG 3.29Å; I65-L69 PolarHBondContact O-N 2.92Å; M66-L69 PolarHBondContact O-N 3.37Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 2.84Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 WeakPolarHBondContact O-CA 3.28Å; L69-R72 WeakPolarHBondContact O-CB 3.39Å; L69-R72 PolarHBondContact O-N 3.22Å; L69-D73 PolarHBondContact O-N 3.34Å; L69-L74 CarbonylContact C-O 3.27Å; L69-L74 VanDerWaalsContact C-O 3.27Å; L69-L74 HydrophobicContact CB-CB 4.11Å; L69-L74 HydrophobicContact CD2-CB 4.35Å; L69-L74 HydrophobicContact CD2-CD1 4.18Å; L69-L74 WeakPolarHBondContact O-CB 3.39Å; L69-L74 PolarHBondContact O-N 2.89Å; L69-A76 HydrophobicContact CD1-CB 3.63Å; L69-I97 HydrophobicContact CD1-CD1 4.47Å; L69-V165 HydrophobicContact CD1-CG1 4.28Å; L69-V165 HydrophobicContact CD1-CG2 3.99Å; L69-V165 HydrophobicContact CD2-CG1 3.74Å; L69-V165 HydrophobicContact CD2-CG2 4.44Å
70Q93.1Very high91.5Very high104 Ų10438.7 Ų38.749%0.48619%0.194SC..Hα-helixtrans-58.8-38.1177.6-76.1172.9-8.900113.1M66 R72 D73 L74 R168M66-Q70 VanDerWaalsContact O-CG 3.3Å; M66-Q70 WeakPolarHBondContact O-CG 3.41Å; M66-Q70 PolarHBondContact O-N 3.37Å; Q70-R72 PolarHBondContact O-N 3.38Å; Q70-R72 VanDerWaalsContact O-N 3.16Å; Q70-D73 PolarHBondContact O-N 3.42Å; Q70-D73 VanDerWaalsContact O-N 3.16Å; Q70-L74 VanDerWaalsContact CA-O 3.29Å; Q70-L74 WeakPolarHBondContact CA-O 3.37Å; Q70-L74 PolarHBondContact N-O 2.74Å; Q70-R168 PolarHBondContact O-NH2 2.91Å; Q70-R168 VanDerWaalsContact O-NH2 3.15Å
71S91.9Very high91.9Very high74 Ų7441.9 Ų41.952%0.51721%0.208SC..THydrogen-bonded Turntrans-66.8-12.4176.577.20000113.7A67 A68 L69A67-S71 PolarHBondContact O-N 2.92Å; A68-S71 PolarHBondContact O-N 2.93Å; A68-S71 PolarHBondContact O-OG 2.82Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 2.84Å
72R93.6Very high92.1Very high107 Ų10750 Ų5040%0.40424%0.235SC..THydrogen-bonded Turntrans-108.615.5178-64.8-79-86.4158-11.4113E27 F30 L69 Q70 L74E27-R72 IonicContact OE2-CZ 3.15Å; E27-R72 IonicContact OE2-NH2 3.81Å; E27-R72 PolarHBondContact OE2-NH2 3.41Å; F30-R72 HydrophobicContact CZ-CG 4.01Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 WeakPolarHBondContact O-CA 3.28Å; L69-R72 WeakPolarHBondContact O-CB 3.39Å; L69-R72 PolarHBondContact O-N 3.22Å; Q70-R72 PolarHBondContact O-N 3.38Å; Q70-R72 VanDerWaalsContact O-N 3.16Å; R72-L74 HydrophobicContact CB-CD1 4.4Å; R72-L74 HydrophobicContact CB-CG 4.44Å; R72-L74 PolarHBondContact O-N 3.43Å
73D94.1Very high92.3Very high94 Ų9452.8 Ų52.850%0.50324%0.243SC..THydrogen-bonded Turntrans63.127.5-177-150.148.2000114.1L69 Q70 R168L69-D73 PolarHBondContact O-N 3.34Å; Q70-D73 PolarHBondContact O-N 3.42Å; Q70-D73 VanDerWaalsContact O-N 3.16Å; D73-R168 IonicContact OD1-CZ 3.39Å; D73-R168 IonicContact OD1-NE 3.23Å; D73-R168 PolarHBondContact OD1-NE 2.67Å; D73-R168 IonicContact OD1-NH1 3.54Å; D73-R168 PolarHBondContact OD1-NH1 2.86Å; D73-R168 IonicContact OD1-NH2 2.84Å; D73-R168 PolarHBondContact OD1-NH2 3.36Å
74L96.9Very high92.6Very high13 Ų1351.6 Ų51.67%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-116.3168.1176.9-58.6176000110.7L25 L69 Q70 R72 V165 V166 R167L25-L74 HydrophobicContact CD2-CD1 3.49Å; L25-L74 VanDerWaalsContact CD2-CD1 3.49Å; L69-L74 CarbonylContact C-O 3.27Å; L69-L74 VanDerWaalsContact C-O 3.27Å; L69-L74 HydrophobicContact CB-CB 4.11Å; L69-L74 HydrophobicContact CD2-CB 4.35Å; L69-L74 HydrophobicContact CD2-CD1 4.18Å; L69-L74 WeakPolarHBondContact O-CB 3.39Å; L69-L74 PolarHBondContact O-N 2.89Å; Q70-L74 VanDerWaalsContact CA-O 3.29Å; Q70-L74 WeakPolarHBondContact CA-O 3.37Å; Q70-L74 PolarHBondContact N-O 2.74Å; R72-L74 HydrophobicContact CB-CD1 4.4Å; R72-L74 HydrophobicContact CB-CG 4.44Å; R72-L74 PolarHBondContact O-N 3.43Å; L74-V165 HydrophobicContact CD1-CG1 4.1Å; L74-V166 CarbonylContact C-O 3.23Å; L74-V166 WeakPolarHBondContact CA-O 3.43Å; L74-V166 WeakPolarHBondContact CB-O 3.36Å; L74-R167 HydrophobicContact CD2-CG 4.27Å
75A95.6Very high92.8Very high3 Ų351.8 Ų51.83%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-132.2157.1176.700000111.3V165 V166 E171A75-V165 WeakPolarHBondContact O-CA 3.28Å; A75-V166 HydrophobicContact CB-CG2 4.12Å; A75-V166 PolarHBondContact N-O 3.06Å; A75-V166 PolarHBondContact O-N 3.38Å; A75-E171 HydrophobicContact CB-CB 3.84Å; A75-E171 HydrophobicContact CB-CG 4.19Å; A75-E171 WeakPolarHBondContact CB-OE2 3.35Å
76A95.9Very high92.9Very high8 Ų857 Ų577%0.06626%0.263CS..EExtended strand (participates in β ladder)trans-114.9106.5171.900000109.3M66 L69 L163 L164M66-A76 HydrophobicContact CG-CB 4.04Å; L69-A76 HydrophobicContact CD1-CB 3.63Å; A76-L163 HydrophobicContact CB-CB 4.37Å; A76-L163 HydrophobicContact CB-CD1 4.36Å; A76-L164 CarbonylContact C-O 3.56Å; A76-L164 WeakPolarHBondContact CA-O 2.93Å
77V96.2Very high93Very high14 Ų1454.5 Ų54.59%0.08525%0.252CS..EExtended strand (participates in β ladder)trans-91.7128.1177176.90000109.4W79 L163 L164 V166 E171 W176V77-W79 PolarHBondContact O-N 3.44Å; V77-L163 CarbonylContact O-C 3.59Å; V77-L163 WeakPolarHBondContact O-CA 3.4Å; V77-L164 HydrophobicContact CB-CB 4.24Å; V77-L164 PolarHBondContact N-O 3.04Å; V77-L164 PolarHBondContact O-N 2.86Å; V77-V166 HydrophobicContact CG2-CG2 3.74Å; V77-E171 HydrophobicContact CG2-CB 3.98Å; V77-E171 HydrophobicContact CG2-CG 3.83Å; V77-W176 HydrophobicContact CG1-CD2 4.13Å; V77-W176 HydrophobicContact CG1-CE3 4.49Å; V77-W176 HydrophobicContact CG1-CH2 3.95Å; V77-W176 HydrophobicContact CG1-CZ2 3.54Å; V77-W176 HydrophobicContact CG1-CZ3 4.4Å
78W95.8Very high93.2Very high138 Ų13853.9 Ų53.952%0.52325%0.247SC..EExtended strand (participates in β ladder)trans-73.6125.4176.2-143.4-50.6000110.8D80 E161 L163W78-D80 PolarHBondContact O-N 3.34Å; W78-E161 HydrophobicContact CZ2-CG 4.25Å; W78-E161 PolarHBondContact NE1-OE2 3.37Å; W78-L163 HydrophobicContact CB-CD2 4.31Å; W78-L163 HydrophobicContact CD2-CD2 4.04Å; W78-L163 HydrophobicContact CE3-CD2 4.43Å; W78-L163 HydrophobicContact CG-CD2 3.99Å
79W95.4Very high93.4Very high4 Ų455 Ų552%0.01525%0.254CS..PPolyproline II helixtrans-75.3125.8174.4-177.4-106.5000111.4V77 K81 R83 T84 S87 L88 M162 L164 W176 L177V77-W79 PolarHBondContact O-N 3.44Å; W79-K81 PolarHBondContact O-N 2.81Å; W79-R83 HydrophobicContact CH2-CB 4.04Å; W79-R83 HydrophobicContact CZ2-CB 3.65Å; W79-T84 VanDerWaalsContact CZ2-O 3.32Å; W79-T84 WeakPolarHBondContact CZ2-O 3.47Å; W79-S87 WeakPolarHBondContact CH2-OG 3.34Å; W79-L88 HydrophobicContact CD2-CD2 4.46Å; W79-L88 HydrophobicContact CE3-CD2 3.61Å; W79-L88 HydrophobicContact CE3-CG 4.2Å; W79-L88 HydrophobicContact CH2-CD1 4.38Å; W79-L88 HydrophobicContact CH2-CD2 3.81Å; W79-L88 HydrophobicContact CH2-CG 3.6Å; W79-L88 HydrophobicContact CZ2-CG 4.23Å; W79-L88 HydrophobicContact CZ3-CD1 4.46Å; W79-L88 HydrophobicContact CZ3-CD2 3.22Å; W79-L88 HydrophobicContact CZ3-CG 3.6Å; W79-M162 HydrophobicContact CB-CB 4.09Å; W79-M162 HydrophobicContact CB-CE 3.47Å; W79-M162 VanDerWaalsContact CB-CE 3.47Å; W79-M162 HydrophobicContact CB-CG 4.36Å; W79-M162 WeakPolarHBondContact CB-O 3.38Å; W79-M162 VanDerWaalsContact CD1-CE 3.5Å; W79-M162 HydrophobicContact CD2-CE 3.71Å; W79-M162 HydrophobicContact CE3-CE 4.44Å; W79-M162 HydrophobicContact CG-CE 3.22Å; W79-M162 PolarHBondContact N-O 3.44Å; W79-L164 HydrophobicContact CE3-CD1 4.09Å; W79-W176 HydrophobicContact CE3-CZ3 4.07Å; W79-W176 HydrophobicContact CZ3-CE3 4.21Å; W79-W176 AromaticContact CZ3-CZ3 3.84Å; W79-W176 HydrophobicContact CZ3-CZ3 3.84Å; W79-L177 HydrophobicContact CH2-CD1 4.13Å; W79-L177 HydrophobicContact CZ3-CD1 4.11Å
80D92.4Very high93.3Very high42 Ų4255.1 Ų55.123%0.22526%0.255CS..  trans-76.9107.1170.7-174.7-10.8000110W78 R82 R83W78-D80 PolarHBondContact O-N 3.34Å; D80-R82 PolarHBondContact O-N 3.46Å; D80-R82 VanDerWaalsContact OD1-CB 3.28Å; D80-R82 WeakPolarHBondContact OD1-CB 3.26Å; D80-R82 WeakPolarHBondContact OD1-CG 3.48Å; D80-R82 IonicContact OD1-CZ 3.75Å; D80-R82 PolarHBondContact OD1-N 3.46Å; D80-R82 IonicContact OD1-NE 2.91Å; D80-R82 PolarHBondContact OD1-NE 2.96Å; D80-R82 IonicContact OD1-NH2 3.72Å; D80-R82 IonicContact OD2-CZ 3.36Å; D80-R82 IonicContact OD2-NE 3.2Å; D80-R82 PolarHBondContact OD2-NE 3.3Å; D80-R82 IonicContact OD2-NH2 2.71Å; D80-R82 PolarHBondContact OD2-NH2 2.97Å; D80-R83 HydrophobicContact CB-CG 4.11Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 2.82Å
81K89Confident93.4Very high69 Ų6955 Ų5530%0.327%0.266SS..THydrogen-bonded Turntrans-56.3-19.9178.5-80.9-175.3150.1-172.20115.2W79 R83 L155 Q157 E158 A160W79-K81 PolarHBondContact O-N 2.81Å; K81-R83 PolarHBondContact O-N 3.3Å; K81-L155 WeakPolarHBondContact CE-O 3.33Å; K81-L155 HydrophobicContact CG-CD2 4.19Å; K81-L155 PolarHBondContact NZ-O 2.83Å; K81-Q157 PolarHBondContact NZ-O 2.93Å; K81-E158 PolarHBondContact NZ-O 3.33Å; K81-A160 WeakPolarHBondContact CE-O 3.38Å; K81-A160 PolarHBondContact NZ-O 3.13Å
82R88.1Confident93.6Very high215 Ų21556.1 Ų56.181%0.81126%0.261SS*.THydrogen-bonded Turntrans-72.4-15.6176-58.3172-65.5177.93.6111.7D80D80-R82 PolarHBondContact O-N 3.46Å; D80-R82 VanDerWaalsContact OD1-CB 3.28Å; D80-R82 WeakPolarHBondContact OD1-CB 3.26Å; D80-R82 WeakPolarHBondContact OD1-CG 3.48Å; D80-R82 IonicContact OD1-CZ 3.75Å; D80-R82 PolarHBondContact OD1-N 3.46Å; D80-R82 IonicContact OD1-NE 2.91Å; D80-R82 PolarHBondContact OD1-NE 2.96Å; D80-R82 IonicContact OD1-NH2 3.72Å; D80-R82 IonicContact OD2-CZ 3.36Å; D80-R82 IonicContact OD2-NE 3.2Å; D80-R82 PolarHBondContact OD2-NE 3.3Å; D80-R82 IonicContact OD2-NH2 2.71Å; D80-R82 PolarHBondContact OD2-NH2 2.97Å
83R90.4Very high93.7Very high86 Ų8651.6 Ų51.633%0.32525%0.245SC..SBendtrans-90148.1176.6-59.9178.2-177.5-81.61.7110.7W79 D80 K81W79-R83 HydrophobicContact CH2-CB 4.04Å; W79-R83 HydrophobicContact CZ2-CB 3.65Å; D80-R83 HydrophobicContact CB-CG 4.11Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 2.82Å; K81-R83 PolarHBondContact O-N 3.3Å
84T91.3Very high93.9Very high40 Ų4050 Ų5025%0.24524%0.235CC..  trans-72.6136.7170171.70000111.6W79 Q86 S87W79-T84 VanDerWaalsContact CZ2-O 3.32Å; W79-T84 WeakPolarHBondContact CZ2-O 3.47Å; T84-Q86 HydrophobicContact CG2-CB 4.14Å; T84-Q86 PolarHBondContact O-N 2.59Å; T84-Q86 VanDerWaalsContact O-N 3.08Å; T84-Q86 WeakPolarHBondContact OG1-CB 3.39Å; T84-Q86 PolarHBondContact OG1-N 2.95Å; T84-Q86 PolarHBondContact OG1-OE1 2.64Å; T84-S87 WeakPolarHBondContact O-CB 3.5Å; T84-S87 PolarHBondContact O-N 3.49Å; T84-S87 PolarHBondContact O-OG 3.04Å
85V93.5Very high93.9Very high6 Ų649.5 Ų49.54%0.03623%0.232CC..G310 helixtrans-61.4-13.2171.1-58.30000113S87 L88 R148 L151 S152 L155V85-S87 PolarHBondContact O-N 3.32Å; V85-L88 HydrophobicContact CB-CD1 4.06Å; V85-L88 HydrophobicContact CG1-CD1 4.43Å; V85-L88 WeakPolarHBondContact O-CB 3.23Å; V85-L88 PolarHBondContact O-N 3.41Å; V85-R148 HydrophobicContact CG2-CB 4.14Å; V85-R148 HydrophobicContact CG2-CG 4.43Å; V85-R148 PolarHBondContact O-NH1 2.94Å; V85-L151 HydrophobicContact CG1-CB 4.18Å; V85-S152 WeakPolarHBondContact CG2-OG 3.49Å; V85-L155 HydrophobicContact CG1-CD1 3.73Å
86Q91.8Very high94Very high108 Ų10849.3 Ų49.351%0.50523%0.231SC..G310 helixtrans-63.6-27.4169.6-76.280.364.300112T84 L88 R148T84-Q86 HydrophobicContact CG2-CB 4.14Å; T84-Q86 PolarHBondContact O-N 2.59Å; T84-Q86 VanDerWaalsContact O-N 3.08Å; T84-Q86 WeakPolarHBondContact OG1-CB 3.39Å; T84-Q86 PolarHBondContact OG1-N 2.95Å; T84-Q86 PolarHBondContact OG1-OE1 2.64Å; Q86-L88 PolarHBondContact O-N 3.41Å; Q86-R148 PolarHBondContact O-NH1 3.28Å; Q86-R148 VanDerWaalsContact O-NH1 3.14Å
87S93.1Very high94.1Very high7 Ų749 Ų495%0.04923%0.228CC..G310 helixtrans-75.5-5.5177.766.10000114.7W79 T84 V85 C89 L177 N178 S181W79-S87 WeakPolarHBondContact CH2-OG 3.34Å; T84-S87 WeakPolarHBondContact O-CB 3.5Å; T84-S87 PolarHBondContact O-N 3.49Å; T84-S87 PolarHBondContact O-OG 3.04Å; V85-S87 PolarHBondContact O-N 3.32Å; S87-C89 PolarHBondContact O-N 3.47Å; S87-L177 WeakPolarHBondContact OG-CD1 3.38Å; S87-N178 WeakPolarHBondContact O-CB 3.29Å; S87-N178 PolarHBondContact O-N 3.21Å; S87-S181 VanDerWaalsContact CA-OG 3.29Å; S87-S181 WeakPolarHBondContact CA-OG 3.48Å
88L94.1Very high94.2Very high0 Ų048.3 Ų48.30%022%0.224CC..BIsolated β-bridgetrans-70.2129.2174.5-74.9164.5000112.1W79 V85 Q86 M90 F96 R148 L151 M162 L164 N178W79-L88 HydrophobicContact CD2-CD2 4.46Å; W79-L88 HydrophobicContact CE3-CD2 3.61Å; W79-L88 HydrophobicContact CE3-CG 4.2Å; W79-L88 HydrophobicContact CH2-CD1 4.38Å; W79-L88 HydrophobicContact CH2-CD2 3.81Å; W79-L88 HydrophobicContact CH2-CG 3.6Å; W79-L88 HydrophobicContact CZ2-CG 4.23Å; W79-L88 HydrophobicContact CZ3-CD1 4.46Å; W79-L88 HydrophobicContact CZ3-CD2 3.22Å; W79-L88 HydrophobicContact CZ3-CG 3.6Å; V85-L88 HydrophobicContact CB-CD1 4.06Å; V85-L88 HydrophobicContact CG1-CD1 4.43Å; V85-L88 WeakPolarHBondContact O-CB 3.23Å; V85-L88 PolarHBondContact O-N 3.41Å; Q86-L88 PolarHBondContact O-N 3.41Å; L88-M90 HydrophobicContact CB-CE 3.84Å; L88-M90 HydrophobicContact CB-SD 4.06Å; L88-M90 HydrophobicContact CD1-CE 3.85Å; L88-M90 HydrophobicContact CD1-SD 4.47Å; L88-M90 PolarHBondContact O-N 2.82Å; L88-F96 HydrophobicContact CD1-CE1 4.19Å; L88-R148 PolarHBondContact O-NH1 2.78Å; L88-R148 VanDerWaalsContact O-NH1 3.15Å; L88-R148 PolarHBondContact O-NH2 2.84Å; L88-L151 HydrophobicContact CD1-CD1 4.25Å; L88-M162 HydrophobicContact CD1-CE 4.24Å; L88-L164 HydrophobicContact CD2-CD1 3.6Å; L88-L164 HydrophobicContact CD2-CD2 3.73Å; L88-L164 HydrophobicContact CD2-CG 4.32Å; L88-N178 PolarHBondContact O-ND2 3.02Å
89C94.9Very high94.1Very high22 Ų2242.7 Ų42.715%0.14920%0.204CC..  trans-83.586.8165.7-160.60000109.7S87 S91 K92 S175 W176 N178S87-C89 PolarHBondContact O-N 3.47Å; C89-S91 PolarHBondContact O-N 2.94Å; C89-K92 HydrophobicContact CB-CB 4.33Å; C89-K92 HydrophobicContact CB-CG 4.17Å; C89-K92 PolarHBondContact O-N 3.02Å; C89-S175 VanDerWaalsContact CB-O 3.24Å; C89-S175 WeakPolarHBondContact CB-O 3.49Å; C89-W176 PolarHBondContact N-O 2.64Å; C89-N178 VanDerWaalsContact CB-OD1 3.28Å; C89-N178 WeakPolarHBondContact CB-OD1 3.34Å; C89-N178 PolarHBondContact SG-OD1 2.77Å; C89-N178 VanDerWaalsContact SG-OD1 3.4Å
90M93.3Very high94Very high4 Ų442.8 Ų42.82%0.0221%0.205CC..G310 helixtrans-58.8-33.7-171.7-65-61.3-176.800113.5L88 K92 V93 F96 E144 L147 R148 L151L88-M90 HydrophobicContact CB-CE 3.84Å; L88-M90 HydrophobicContact CB-SD 4.06Å; L88-M90 HydrophobicContact CD1-CE 3.85Å; L88-M90 HydrophobicContact CD1-SD 4.47Å; L88-M90 PolarHBondContact O-N 2.82Å; M90-K92 PolarHBondContact O-N 3.41Å; M90-V93 PolarHBondContact O-N 2.85Å; M90-V93 VanDerWaalsContact O-N 3.15Å; M90-F96 HydrophobicContact SD-CE1 4.38Å; M90-F96 HydrophobicContact SD-CE2 4.44Å; M90-F96 HydrophobicContact SD-CZ 3.6Å; M90-F96 VanDerWaalsContact SD-CZ 3.6Å; M90-E144 HydrophobicContact CB-CG 4.23Å; M90-E144 HydrophobicContact CG-CG 4.22Å; M90-L147 HydrophobicContact CE-CD2 3.92Å; M90-L147 HydrophobicContact CE-CG 4.48Å; M90-L147 HydrophobicContact SD-CD2 3.76Å; M90-R148 HydrophobicContact CE-CG 3.58Å; M90-L151 HydrophobicContact CE-CD1 4.26Å
91S93.8Very high93.8Very high101 Ų10142 Ų4271%0.70620%0.202SC*.G310 helixtrans-66.5-19.8178.760.40000113.8C89C89-S91 PolarHBondContact O-N 2.94Å
92K96.3Very high93.7Very high97 Ų9739.7 Ų39.742%0.42220%0.195SC..G310 helixtrans-93.5-13.9176.8-62.2-66.5-171.1164.20112.7C89 M90 V170C89-K92 HydrophobicContact CB-CB 4.33Å; C89-K92 HydrophobicContact CB-CG 4.17Å; C89-K92 PolarHBondContact O-N 3.02Å; M90-K92 PolarHBondContact O-N 3.41Å; K92-V170 HydrophobicContact CB-CG1 3.98Å; K92-V170 HydrophobicContact CD-CG2 4.34Å
93V96.9Very high93.4Very high12 Ų1237.1 Ų37.17%0.07319%0.185CC..  trans-96.4117.8-178.2-177.80000110.1M90 G95 F96 L164 V166 W176M90-V93 PolarHBondContact O-N 2.85Å; M90-V93 VanDerWaalsContact O-N 3.15Å; V93-G95 VanDerWaalsContact C-N 3.34Å; V93-G95 WeakPolarHBondContact CG1-O 3.35Å; V93-F96 HydrophobicContact CB-CE1 4.35Å; V93-F96 HydrophobicContact CB-CZ 4.06Å; V93-F96 HydrophobicContact CG1-CD1 4.13Å; V93-F96 HydrophobicContact CG1-CE1 3.64Å; V93-F96 HydrophobicContact CG1-CE2 4.09Å; V93-F96 HydrophobicContact CG1-CZ 3.59Å; V93-L164 HydrophobicContact CG1-CB 4.2Å; V93-L164 HydrophobicContact CG2-CD1 4.33Å; V93-V166 HydrophobicContact CG2-CG1 4.18Å; V93-W176 HydrophobicContact CG2-CB 4.25Å
94Q96.7Very high92.6Very high62 Ų6234.6 Ų34.629%0.2918%0.18SC..  trans-73.5-28.6180177.4171.420.900111.8R122 V165Q94-R122 WeakPolarHBondContact O-CD 3.42Å; Q94-R122 PolarHBondContact O-NE 2.8Å; Q94-R122 PolarHBondContact O-NH1 3.42Å; Q94-V165 WeakPolarHBondContact CA-O 3.36Å; Q94-V165 WeakPolarHBondContact CB-O 3.45Å; Q94-V165 PolarHBondContact N-O 2.86Å
95G97.5Very high91.5Very high1 Ų136.5 Ų36.51%0.0120%0.195CC..EExtended strand (participates in β ladder)trans177.3-179.317400000111.9V93 V121 V165V93-G95 VanDerWaalsContact C-N 3.34Å; V93-G95 WeakPolarHBondContact CG1-O 3.35Å; G95-V121 WeakPolarHBondContact CA-O 3.22Å; G95-V165 PolarHBondContact N-O 3.29Å; G95-V165 WeakPolarHBondContact O-CB 3.45Å; G95-V165 PolarHBondContact O-N 2.71Å
96F98.4Very high90.3Very high0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-127.5139.6-176.5-48.8-95.7000109.7L88 M90 V93 L98 A120 V121 Y128 L147 L151 M162 L163 L164L88-F96 HydrophobicContact CD1-CE1 4.19Å; M90-F96 HydrophobicContact SD-CE1 4.38Å; M90-F96 HydrophobicContact SD-CE2 4.44Å; M90-F96 HydrophobicContact SD-CZ 3.6Å; M90-F96 VanDerWaalsContact SD-CZ 3.6Å; V93-F96 HydrophobicContact CB-CE1 4.35Å; V93-F96 HydrophobicContact CB-CZ 4.06Å; V93-F96 HydrophobicContact CG1-CD1 4.13Å; V93-F96 HydrophobicContact CG1-CE1 3.64Å; V93-F96 HydrophobicContact CG1-CE2 4.09Å; V93-F96 HydrophobicContact CG1-CZ 3.59Å; F96-L98 HydrophobicContact CB-CD1 3.95Å; F96-A120 CarbonylContact O-C 3.55Å; F96-A120 WeakPolarHBondContact O-CA 3.26Å; F96-V121 HydrophobicContact CB-CB 4.21Å; F96-V121 HydrophobicContact CD2-CB 4.24Å; F96-V121 HydrophobicContact CD2-CG1 4.23Å; F96-V121 PolarHBondContact N-O 3.45Å; F96-V121 PolarHBondContact O-N 3.32Å; F96-Y128 HydrophobicContact CE2-CE1 4.14Å; F96-L147 HydrophobicContact CE2-CD2 3.82Å; F96-L147 HydrophobicContact CZ-CD2 4.15Å; F96-L151 HydrophobicContact CD1-CD1 4.13Å; F96-L151 HydrophobicContact CE1-CD1 3.97Å; F96-L151 HydrophobicContact CZ-CD1 4.25Å; F96-M162 HydrophobicContact CD1-SD 3.83Å; F96-L163 WeakPolarHBondContact CA-O 3.25Å; F96-L164 HydrophobicContact CD1-CD2 3.61Å; F96-L164 HydrophobicContact CE1-CD2 3.66Å
97I98.1Very high89.3Confident0 Ų040.7 Ų40.70%024%0.237CC..EExtended strand (participates in β ladder)trans-117.6121.3168.9-63.4174.6000107.2A20 L21 V24 I65 L69 W118 L119 M162 L163 V165A20-I97 HydrophobicContact CB-CG2 4.37Å; L21-I97 HydrophobicContact CD2-CD1 4.27Å; V24-I97 HydrophobicContact CB-CG1 4.45Å; V24-I97 HydrophobicContact CG1-CD1 4.11Å; V24-I97 HydrophobicContact CG1-CG1 4.23Å; I65-I97 HydrophobicContact CD1-CG2 4.35Å; I65-I97 HydrophobicContact CG2-CD1 3.67Å; L69-I97 HydrophobicContact CD1-CD1 4.47Å; I97-W118 HydrophobicContact CG2-CE3 3.65Å; I97-W118 HydrophobicContact CG2-CZ3 4.17Å; I97-L119 CarbonylContact C-O 3.55Å; I97-L119 WeakPolarHBondContact CA-O 3.47Å; I97-M162 WeakPolarHBondContact O-CA 3.42Å; I97-L163 HydrophobicContact CB-CB 4.36Å; I97-L163 PolarHBondContact N-O 3Å; I97-L163 PolarHBondContact O-N 3.48Å; I97-V165 HydrophobicContact CD1-CG2 3.88Å; I97-V165 HydrophobicContact CG1-CG2 3.93Å
98L96.9Very high88.3Confident1 Ų149 Ų491%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-107.9140.9179.6-67.384.5000110.1F96 V100 W118 L119 V121 L151 Q154 E161 M162F96-L98 HydrophobicContact CB-CD1 3.95Å; L98-V100 HydrophobicContact CB-CG1 4.08Å; L98-V100 HydrophobicContact CD2-CG1 4.41Å; L98-W118 CarbonylContact O-C 3.34Å; L98-W118 VanDerWaalsContact O-CA 3.28Å; L98-W118 WeakPolarHBondContact O-CA 3.32Å; L98-L119 HydrophobicContact CB-CD1 3.96Å; L98-L119 HydrophobicContact CB-CG 4.07Å; L98-L119 HydrophobicContact CD1-CD1 3.84Å; L98-L119 HydrophobicContact CG-CD1 4.35Å; L98-L119 PolarHBondContact N-O 2.89Å; L98-L119 PolarHBondContact O-N 3.45Å; L98-V121 HydrophobicContact CD1-CG2 3.94Å; L98-L151 HydrophobicContact CD1-CD2 4.16Å; L98-L151 HydrophobicContact CD2-CD2 4.2Å; L98-Q154 HydrophobicContact CD2-CB 3.48Å; L98-Q154 VanDerWaalsContact CD2-CB 3.48Å; L98-Q154 HydrophobicContact CD2-CG 3.86Å; L98-E161 CarbonylContact C-O 3.53Å; L98-E161 WeakPolarHBondContact CA-O 3.35Å; L98-M162 HydrophobicContact CG-CB 4.39Å; L98-M162 HydrophobicContact CG-CG 4.26Å
99N94.8Very high87.1Confident19 Ų1953.4 Ų53.410%0.10231%0.306CS..EExtended strand (participates in β ladder)trans-107.896.2168.8-168.3-19.5000109.6R116 H117 W118 A160 E161N99-R116 PolarHBondContact O-NH1 3.36Å; N99-R116 VanDerWaalsContact OD1-CB 3.3Å; N99-R116 WeakPolarHBondContact OD1-CB 3.31Å; N99-R116 WeakPolarHBondContact OD1-CD 3.18Å; N99-H117 WeakPolarHBondContact CA-O 3.44Å; N99-W118 HydrophobicContact CB-CD2 4.24Å; N99-W118 HydrophobicContact CB-CE3 3.63Å; N99-W118 HydrophobicContact CB-CH2 3.84Å; N99-W118 HydrophobicContact CB-CZ2 4.38Å; N99-W118 HydrophobicContact CB-CZ3 3.45Å; N99-W118 VanDerWaalsContact CB-CZ3 3.45Å; N99-W118 WeakPolarHBondContact ND2-CH2 3.46Å; N99-W118 VanDerWaalsContact ND2-CZ2 3.31Å; N99-W118 WeakPolarHBondContact ND2-CZ2 3.18Å; N99-A160 CarbonylContact O-C 3.55Å; N99-A160 VanDerWaalsContact O-CA 3.26Å; N99-A160 WeakPolarHBondContact O-CA 3.11Å; N99-E161 HydrophobicContact CB-CB 4.08Å; N99-E161 PolarHBondContact N-O 3.01Å; N99-E161 PolarHBondContact O-N 2.94Å
100V92.1Very high86Confident7 Ų755.5 Ų55.54%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-111.4151.7-174.3-64.80000111.2L98 S102 H117 L119 A160L98-V100 HydrophobicContact CB-CG1 4.08Å; L98-V100 HydrophobicContact CD2-CG1 4.41Å; V100-S102 PolarHBondContact O-N 3.43Å; V100-H117 PolarHBondContact N-O 3.45Å; V100-H117 PolarHBondContact O-N 3.08Å; V100-L119 HydrophobicContact CG2-CD2 3.57Å; V100-L119 HydrophobicContact CG2-CG 4.4Å; V100-A160 HydrophobicContact CG1-CB 4.2Å
101P89.6Confident85.2Confident24 Ų2458.6 Ų58.616%0.15634%0.336CS..EExtended strand (participates in β ladder)trans-68126.5170.530.1-32.8000109.3R114 Q157 V159P101-R114 HydrophobicContact CB-CB 4.49Å; P101-Q157 VanDerWaalsContact CD-OE1 3.24Å; P101-Q157 HydrophobicContact CG-CB 4.46Å; P101-V159 HydrophobicContact CB-CG2 3.9Å; P101-V159 HydrophobicContact CG-CG2 3.73Å
102S85.6Confident84.2Confident22 Ų2260.3 Ų60.315%0.15435%0.345CS..EExtended strand (participates in β ladder)trans-127.2141.4-178.4-168.50000110.5V100 R114 R115 H117 K134V100-S102 PolarHBondContact O-N 3.43Å; S102-R114 WeakPolarHBondContact O-CA 3.36Å; S102-R115 PolarHBondContact N-O 3.29Å; S102-R115 PolarHBondContact O-N 2.96Å; S102-H117 VanDerWaalsContact CB-CB 3.44Å; S102-K134 PolarHBondContact OG-NZ 3.42Å
103R81.6Confident83.4Confident160 Ų16060.1 Ų60.160%0.60435%0.348SS*.EExtended strand (participates in β ladder)trans-67.8140.3175.1-66.1-174.5-175.3-177.91.7109.5K134R103-K134 PolarHBondContact O-NZ 2.95Å
104V75.2Confident82.6Confident34 Ų3467.7 Ų67.721%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-81.1126.2171.5-176.70000108.4L111 L113 R115V104-L111 HydrophobicContact CB-CB 4.48Å; V104-L111 HydrophobicContact CG1-CD1 4.22Å; V104-L111 PolarHBondContact O-N 2.84Å; V104-L113 PolarHBondContact N-O 3.08Å; V104-R115 HydrophobicContact CG2-CB 4.03Å; V104-R115 HydrophobicContact CG2-CG 3.58Å
105S68.2Low82.1Confident80 Ų8070.7 Ų70.756%0.55938%0.384SS*.EExtended strand (participates in β ladder)trans-103.8128.7174.954.20000110.4V109S105-V109 WeakPolarHBondContact CA-O 3.34Å
106L66.7Low81.6Confident129 Ų12975.9 Ų75.968%0.67540%0.404SS*.EExtended strand (participates in β ladder)trans-110.495.1167.6-169.573.4000107.9I108 V109 L111L106-I108 PolarHBondContact O-N 2.94Å; L106-V109 PolarHBondContact N-O 3.31Å; L106-V109 PolarHBondContact O-N 3.2Å; L106-V109 VanDerWaalsContact O-N 3.13Å; L106-L111 HydrophobicContact CB-CD1 4.48Å
107G71.8Confident81.3Confident73 Ų7376 Ų7675%0.75340%0.404SS*.THydrogen-bonded Turntrans61.3-121.8-169.900000111.2V109G107-V109 VanDerWaalsContact C-N 3.34Å
108I71.1Confident81.2Confident180 Ų18076.8 Ų76.892%0.92341%0.407SS*.THydrogen-bonded Turntrans-84-13.4-179.2-53.6171.6000111.5L106L106-I108 PolarHBondContact O-N 2.94Å
109V70.2Confident81.1Confident94 Ų9477 Ų7757%0.5741%0.409SS*.EExtended strand (participates in β ladder)trans-94.2122.5-174.9-177.30000110.5S105 L106 G107S105-V109 WeakPolarHBondContact CA-O 3.34Å; L106-V109 PolarHBondContact N-O 3.31Å; L106-V109 PolarHBondContact O-N 3.2Å; L106-V109 VanDerWaalsContact O-N 3.13Å; G107-V109 VanDerWaalsContact C-N 3.34Å
110S72.3Confident81.2Confident65 Ų6576.1 Ų76.146%0.45540%0.404SS..EExtended strand (participates in β ladder)trans-84.7121.2167.966.20000110.3
111L75.1Confident81.5Confident69 Ų6975.8 Ų75.836%0.36140%0.402SS..EExtended strand (participates in β ladder)trans-75.8150.5175.6-65.4172.8000110.6V104 L106 L113V104-L111 HydrophobicContact CB-CB 4.48Å; V104-L111 HydrophobicContact CG1-CD1 4.22Å; V104-L111 PolarHBondContact O-N 2.84Å; L106-L111 HydrophobicContact CB-CD1 4.48Å; L111-L113 PolarHBondContact O-N 3.08Å
112P74.1Confident81.9Confident138 Ų13877 Ų7790%0.89640%0.403SS*.EExtended strand (participates in β ladder)trans-72.28.6176.731.1-35.6000113.5
113L78.5Confident82.5Confident92 Ų9279.7 Ų79.748%0.48241%0.413SS..EExtended strand (participates in β ladder)trans-92.5129.9175.6-173.366000110.4V104 L111V104-L113 PolarHBondContact N-O 3.08Å; L111-L113 PolarHBondContact O-N 3.08Å
114R80.3Confident83.1Confident171 Ų17173 Ų7365%0.64539%0.39SS*.EExtended strand (participates in β ladder)trans-97.3135.7170.6-62.4-177.1-173.2-175.11.6109.5P101 S102P101-R114 HydrophobicContact CB-CB 4.49Å; S102-R114 WeakPolarHBondContact O-CA 3.36Å
115R85.2Confident83.9Confident125 Ų12577.3 Ų77.347%0.47241%0.412SS..EExtended strand (participates in β ladder)trans-123.3157.2171.1-71.7-172.5-179.3-169.8-0.4109.8E14 S102 V104E14-R115 IonicContact OE1-NH1 2.84Å; E14-R115 PolarHBondContact OE1-NH1 2.78Å; S102-R115 PolarHBondContact N-O 3.29Å; S102-R115 PolarHBondContact O-N 2.96Å; V104-R115 HydrophobicContact CG2-CB 4.03Å; V104-R115 HydrophobicContact CG2-CG 3.58Å
116R88.2Confident85.1Confident110 Ų11075.8 Ų75.842%0.41541%0.409SS..EExtended strand (participates in β ladder)trans-63.5143.2170.6-66.8-48.1-160.2130.9-0.2110.3N99 V159N99-R116 PolarHBondContact O-NH1 3.36Å; N99-R116 VanDerWaalsContact OD1-CB 3.3Å; N99-R116 WeakPolarHBondContact OD1-CB 3.31Å; N99-R116 WeakPolarHBondContact OD1-CD 3.18Å; R116-V159 PolarHBondContact NH1-O 3.07Å; R116-V159 PolarHBondContact NH2-O 3.44Å
117H92Very high86.5Confident3 Ų374 Ų741%0.01440%0.397CS..EExtended strand (participates in β ladder)trans-145.2128.7-178.9178.964.3000110.2Q11 C16 N99 V100 S102 D132Q11-H117 PolarHBondContact OE1-CE1 3.18Å; Q11-H117 VanDerWaalsContact OE1-CE1 3.29Å; C16-H117 WeakPolarHBondContact CB-ND1 3.48Å; N99-H117 WeakPolarHBondContact CA-O 3.44Å; V100-H117 PolarHBondContact N-O 3.45Å; V100-H117 PolarHBondContact O-N 3.08Å; S102-H117 VanDerWaalsContact CB-CB 3.44Å; H117-D132 IonicContact CD2-OD1 2.67Å; H117-D132 IonicContact CD2-OD2 3.58Å; H117-D132 IonicContact CE1-OD1 3.56Å; H117-D132 IonicContact NE2-OD1 3.22Å; H117-D132 PolarHBondContact NE2-OD1 2.97Å; H117-D132 IonicContact NE2-OD2 2.74Å
118W94.8Very high87.7Confident17 Ų1770.6 Ų70.66%0.06436%0.362CS..EExtended strand (participates in β ladder)trans-88125.4174.7-59.6107.9000109.8C16 A17 A20 Y60 V62 I65 I97 L98 N99 L163C16-W118 HydrophobicContact CB-CB 4.44Å; A17-W118 HydrophobicContact CB-CG 4.29Å; A20-W118 HydrophobicContact CB-CB 4.02Å; Y60-W118 PolarHBondContact O-NE1 3.03Å; V62-W118 HydrophobicContact CB-CH2 3.93Å; V62-W118 HydrophobicContact CB-CZ2 4.16Å; V62-W118 HydrophobicContact CG2-CH2 4.18Å; I65-W118 HydrophobicContact CD1-CD2 3.59Å; I65-W118 HydrophobicContact CD1-CE3 3.73Å; I65-W118 HydrophobicContact CD1-CG 4.07Å; I65-W118 HydrophobicContact CD1-CH2 4.08Å; I65-W118 HydrophobicContact CD1-CZ2 3.98Å; I65-W118 HydrophobicContact CD1-CZ3 3.93Å; I97-W118 HydrophobicContact CG2-CE3 3.65Å; I97-W118 HydrophobicContact CG2-CZ3 4.17Å; L98-W118 CarbonylContact O-C 3.34Å; L98-W118 VanDerWaalsContact O-CA 3.28Å; L98-W118 WeakPolarHBondContact O-CA 3.32Å; N99-W118 HydrophobicContact CB-CD2 4.24Å; N99-W118 HydrophobicContact CB-CE3 3.63Å; N99-W118 HydrophobicContact CB-CH2 3.84Å; N99-W118 HydrophobicContact CB-CZ2 4.38Å; N99-W118 HydrophobicContact CB-CZ3 3.45Å; N99-W118 VanDerWaalsContact CB-CZ3 3.45Å; N99-W118 WeakPolarHBondContact ND2-CH2 3.46Å; N99-W118 VanDerWaalsContact ND2-CZ2 3.31Å; N99-W118 WeakPolarHBondContact ND2-CZ2 3.18Å; W118-L163 HydrophobicContact CZ3-CD1 4.14Å
119L95.4Very high89Confident6 Ų663.8 Ų63.83%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-127.6153.6170.768.884.1000110.5I97 L98 V100 V121 D132I97-L119 CarbonylContact C-O 3.55Å; I97-L119 WeakPolarHBondContact CA-O 3.47Å; L98-L119 HydrophobicContact CB-CD1 3.96Å; L98-L119 HydrophobicContact CB-CG 4.07Å; L98-L119 HydrophobicContact CD1-CD1 3.84Å; L98-L119 HydrophobicContact CG-CD1 4.35Å; L98-L119 PolarHBondContact N-O 2.89Å; L98-L119 PolarHBondContact O-N 3.45Å; V100-L119 HydrophobicContact CG2-CD2 3.57Å; V100-L119 HydrophobicContact CG2-CG 4.4Å; L119-V121 HydrophobicContact CD1-CG2 4.01Å; L119-D132 HydrophobicContact CB-CB 3.81Å; L119-D132 HydrophobicContact CD2-CB 4.37Å
120A98.1Very high90.3Very high0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans-109.1145.8179.100000111.2A20 N23 V24 F96 L131A20-A120 HydrophobicContact CB-CB 4.29Å; A20-A120 WeakPolarHBondContact O-CB 3.4Å; N23-A120 HydrophobicContact CB-CB 3.86Å; V24-A120 HydrophobicContact CB-CB 3.96Å; F96-A120 CarbonylContact O-C 3.55Å; F96-A120 WeakPolarHBondContact O-CA 3.26Å; A120-L131 HydrophobicContact CB-CB 4.29Å; A120-L131 CarbonylContact O-C 3.5Å; A120-L131 WeakPolarHBondContact O-CA 3.45Å; A120-L131 WeakPolarHBondContact O-CB 3.2Å; A120-L131 PolarHBondContact O-N 3.16Å
121V98.3Very high91.5Very high0 Ų057.4 Ų57.40%028%0.282CS..EExtended strand (participates in β ladder)trans-126.5133.5167.6177.90000108.5G95 F96 L98 L119 Y128 Y129 I141 L147 F150G95-V121 WeakPolarHBondContact CA-O 3.22Å; F96-V121 HydrophobicContact CB-CB 4.21Å; F96-V121 HydrophobicContact CD2-CB 4.24Å; F96-V121 HydrophobicContact CD2-CG1 4.23Å; F96-V121 PolarHBondContact N-O 3.45Å; F96-V121 PolarHBondContact O-N 3.32Å; L98-V121 HydrophobicContact CD1-CG2 3.94Å; L119-V121 HydrophobicContact CD1-CG2 4.01Å; V121-Y128 HydrophobicContact CG1-CD1 4.44Å; V121-Y129 VanDerWaalsContact CA-O 3.32Å; V121-Y129 WeakPolarHBondContact CA-O 3.48Å; V121-I141 HydrophobicContact CG1-CD1 3.66Å; V121-I141 HydrophobicContact CG2-CD1 4.25Å; V121-L147 HydrophobicContact CG1-CD1 3.56Å; V121-F150 HydrophobicContact CG2-CD1 4.48Å; V121-F150 HydrophobicContact CG2-CE1 3.72Å; V121-F150 HydrophobicContact CG2-CZ 4.43Å
122R97.7Very high92.5Very high50 Ų5055.1 Ų55.119%0.18927%0.27CS..EExtended strand (participates in β ladder)trans-147.2141-174175.857.1-169.7-13415.3112V24 Q26 Q94 V124 Y128 Y129 L131V24-R122 WeakPolarHBondContact O-CD 3.42Å; V24-R122 PolarHBondContact O-NH1 3.4Å; Q26-R122 HydrophobicContact CG-CG 3.87Å; Q94-R122 WeakPolarHBondContact O-CD 3.42Å; Q94-R122 PolarHBondContact O-NE 2.8Å; Q94-R122 PolarHBondContact O-NH1 3.42Å; R122-V124 HydrophobicContact CG-CG2 3.97Å; R122-Y128 WeakPolarHBondContact O-CA 3.32Å; R122-Y129 PolarHBondContact N-O 3.44Å; R122-Y129 VanDerWaalsContact N-O 3.16Å; R122-Y129 PolarHBondContact O-N 2.92Å; R122-L131 HydrophobicContact CB-CD1 3.72Å
123Q96.8Very high93.4Very high77 Ų7748.7 Ų48.736%0.3623%0.229SC..EExtended strand (participates in β ladder)trans-79.2129.2166.8-157-177.925.400111G126 Q127 Y128Q123-G126 PolarHBondContact NE2-O 3.15Å; Q123-Q127 CarbonylContact C-O 3.57Å; Q123-Q127 VanDerWaalsContact CA-O 3.3Å; Q123-Q127 WeakPolarHBondContact CA-O 3.32Å; Q123-Y128 HydrophobicContact CB-CD1 3.79Å; Q123-Y128 HydrophobicContact CB-CE1 3.54Å; Q123-Y128 HydrophobicContact CB-CE2 4.41Å; Q123-Y128 HydrophobicContact CB-CG 4.35Å; Q123-Y128 HydrophobicContact CG-CD1 4.31Å; Q123-Y128 HydrophobicContact CG-CD2 4.27Å; Q123-Y128 HydrophobicContact CG-CE1 4.1Å; Q123-Y128 HydrophobicContact CG-CE2 4.05Å; Q123-Y128 HydrophobicContact CG-CG 4.4Å
124V95.3Very high94Very high20 Ų2048.4 Ų48.412%0.12122%0.224CC..EExtended strand (participates in β ladder)trans-137.4127.6173.5-173.10000107.5V6 Q26 R122 G126 Q127 Y129V6-V124 HydrophobicContact CG1-CG2 4.21Å; V6-V124 HydrophobicContact CG2-CB 4.19Å; V6-V124 HydrophobicContact CG2-CG1 4.01Å; Q26-V124 HydrophobicContact CG-CG2 3.95Å; R122-V124 HydrophobicContact CG-CG2 3.97Å; V124-G126 PolarHBondContact O-N 2.98Å; V124-G126 VanDerWaalsContact O-N 3.16Å; V124-Q127 PolarHBondContact N-O 3.18Å; V124-Q127 PolarHBondContact O-N 2.79Å; V124-Q127 VanDerWaalsContact O-N 3.08Å; V124-Q127 VanDerWaalsContact O-O 3.08Å; V124-Y129 HydrophobicContact CB-CD2 4.17Å; V124-Y129 HydrophobicContact CB-CE2 4.13Å; V124-Y129 HydrophobicContact CG2-CD2 4.45Å
125N92.1Very high94.6Very high124 Ų12443 Ų4366%0.66321%0.207SC*.THydrogen-bonded Turntrans50.741.3-179.8-55.9-27000113.6Q127N125-Q127 VanDerWaalsContact C-N 3.28Å; N125-Q127 PolarHBondContact O-N 3.4Å
126G92.4Very high94.9Very high49 Ų4946.4 Ų46.451%0.50523%0.226SC..THydrogen-bonded Turntrans82.7-10.9177.600000115.7Q123 V124Q123-G126 PolarHBondContact NE2-O 3.15Å; V124-G126 PolarHBondContact O-N 2.98Å; V124-G126 VanDerWaalsContact O-N 3.16Å
127Q96.3Very high95.2Very high90 Ų9042.3 Ų42.342%0.42122%0.218SC..EExtended strand (participates in β ladder)trans-109.3143.2178.6-71179.673.400111.5Q123 V124 N125 Y129 C140Q123-Q127 CarbonylContact C-O 3.57Å; Q123-Q127 VanDerWaalsContact CA-O 3.3Å; Q123-Q127 WeakPolarHBondContact CA-O 3.32Å; V124-Q127 PolarHBondContact N-O 3.18Å; V124-Q127 PolarHBondContact O-N 2.79Å; V124-Q127 VanDerWaalsContact O-N 3.08Å; V124-Q127 VanDerWaalsContact O-O 3.08Å; N125-Q127 VanDerWaalsContact C-N 3.28Å; N125-Q127 PolarHBondContact O-N 3.4Å; Q127-Y129 HydrophobicContact CB-CE2 3.72Å; Q127-Y129 VanDerWaalsContact O-CD2 3.31Å; Q127-Y129 WeakPolarHBondContact O-CD2 3.45Å; Q127-Y129 WeakPolarHBondContact O-CE2 3.33Å; Q127-C140 PolarHBondContact OE1-SG 3.35Å
128Y98Very high95.4Very high3 Ų344.6 Ų44.61%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-86.7138.7172.6-70.4-86.9000110.7F96 V121 R122 Q123 I141 G142 E144 L147F96-Y128 HydrophobicContact CE2-CE1 4.14Å; V121-Y128 HydrophobicContact CG1-CD1 4.44Å; R122-Y128 WeakPolarHBondContact O-CA 3.32Å; Q123-Y128 HydrophobicContact CB-CD1 3.79Å; Q123-Y128 HydrophobicContact CB-CE1 3.54Å; Q123-Y128 HydrophobicContact CB-CE2 4.41Å; Q123-Y128 HydrophobicContact CB-CG 4.35Å; Q123-Y128 HydrophobicContact CG-CD1 4.31Å; Q123-Y128 HydrophobicContact CG-CD2 4.27Å; Q123-Y128 HydrophobicContact CG-CE1 4.1Å; Q123-Y128 HydrophobicContact CG-CE2 4.05Å; Q123-Y128 HydrophobicContact CG-CG 4.4Å; Y128-I141 WeakPolarHBondContact O-CB 3.29Å; Y128-I141 PolarHBondContact O-N 2.91Å; Y128-G142 PolarHBondContact N-O 3.2Å; Y128-G142 PolarHBondContact O-N 3.09Å; Y128-E144 HydrophobicContact CE2-CG 4.03Å; Y128-L147 HydrophobicContact CD1-CD1 4.07Å; Y128-L147 HydrophobicContact CD1-CD2 3.56Å; Y128-L147 HydrophobicContact CD1-CG 4.31Å; Y128-L147 HydrophobicContact CD2-CB 4.09Å; Y128-L147 HydrophobicContact CD2-CD2 3.92Å; Y128-L147 HydrophobicContact CE1-CD2 3.43Å; Y128-L147 VanDerWaalsContact CE1-CD2 3.43Å; Y128-L147 HydrophobicContact CE2-CD2 3.81Å; Y128-L147 HydrophobicContact CG-CB 4.17Å; Y128-L147 HydrophobicContact CG-CD1 4.13Å; Y128-L147 HydrophobicContact CG-CD2 3.79Å; Y128-L147 HydrophobicContact CG-CG 4.25Å
129Y98.1Very high95.5Very high36 Ų3645.7 Ų45.714%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-123.2136.8178.1-64.9-93.4000110.4V6 V121 R122 V124 Q127 L131 P138 A139 C140V6-Y129 HydrophobicContact CG1-CD2 4.44Å; V6-Y129 HydrophobicContact CG1-CG 4.35Å; V6-Y129 HydrophobicContact CG2-CD2 4.29Å; V6-Y129 HydrophobicContact CG2-CE1 4.27Å; V6-Y129 HydrophobicContact CG2-CE2 3.96Å; V121-Y129 VanDerWaalsContact CA-O 3.32Å; V121-Y129 WeakPolarHBondContact CA-O 3.48Å; R122-Y129 PolarHBondContact N-O 3.44Å; R122-Y129 VanDerWaalsContact N-O 3.16Å; R122-Y129 PolarHBondContact O-N 2.92Å; V124-Y129 HydrophobicContact CB-CD2 4.17Å; V124-Y129 HydrophobicContact CB-CE2 4.13Å; V124-Y129 HydrophobicContact CG2-CD2 4.45Å; Q127-Y129 HydrophobicContact CB-CE2 3.72Å; Q127-Y129 VanDerWaalsContact O-CD2 3.31Å; Q127-Y129 WeakPolarHBondContact O-CD2 3.45Å; Q127-Y129 WeakPolarHBondContact O-CE2 3.33Å; Y129-L131 PolarHBondContact O-N 2.86Å; Y129-P138 HydrophobicContact CD1-CB 3.85Å; Y129-P138 HydrophobicContact CG-CB 4.4Å; Y129-A139 CarbonylContact C-O 3.56Å; Y129-A139 WeakPolarHBondContact CA-O 3.32Å; Y129-C140 HydrophobicContact CD1-CB 4Å; Y129-C140 HydrophobicContact CE1-CB 3.73Å
130N98.1Very high95.6Very high25 Ų2548.6 Ų48.613%0.13427%0.265CS..EExtended strand (participates in β ladder)trans-75.5114.9159.71784.1000107.8D132 L135 A139 I141 F150N130-D132 VanDerWaalsContact OD1-CB 3.28Å; N130-D132 WeakPolarHBondContact OD1-CB 3.43Å; N130-D132 PolarHBondContact OD1-N 2.78Å; N130-L135 HydrophobicContact CB-CD1 4.48Å; N130-A139 HydrophobicContact CB-CB 4.25Å; N130-A139 PolarHBondContact N-O 2.83Å; N130-A139 PolarHBondContact O-N 3.39Å; N130-I141 HydrophobicContact CB-CD1 4Å; N130-I141 HydrophobicContact CB-CG1 4.07Å; N130-F150 HydrophobicContact CB-CZ 4.41Å
131L97.2Very high95.6Very high0 Ų050 Ų500%027%0.272CS..  trans-110.334.9-179.4-56175.1000110.8V6 N23 A120 R122 Y129 S133 P138V6-L131 HydrophobicContact CG1-CD2 3.81Å; N23-L131 HydrophobicContact CB-CB 3.77Å; N23-L131 HydrophobicContact CB-CD1 4.04Å; N23-L131 PolarHBondContact ND2-O 3.26Å; N23-L131 VanDerWaalsContact O-CD1 3.29Å; N23-L131 WeakPolarHBondContact O-CD1 3.44Å; A120-L131 HydrophobicContact CB-CB 4.29Å; A120-L131 CarbonylContact O-C 3.5Å; A120-L131 WeakPolarHBondContact O-CA 3.45Å; A120-L131 WeakPolarHBondContact O-CB 3.2Å; A120-L131 PolarHBondContact O-N 3.16Å; R122-L131 HydrophobicContact CB-CD1 3.72Å; Y129-L131 PolarHBondContact O-N 2.86Å; L131-S133 PolarHBondContact O-N 3.31Å; L131-S133 VanDerWaalsContact O-N 3.13Å; L131-P138 HydrophobicContact CD2-CB 3.75Å; L131-P138 HydrophobicContact CD2-CG 4.2Å
132D95.7Very high95.5Very high21 Ų2150.6 Ų50.611%0.11228%0.279CS..  trans-53.1121.5167.8-177.7-8.4000109.4H8 H117 L119 N130 K134 L135H8-D132 PolarHBondContact NE2-O 3.36Å; H117-D132 IonicContact CD2-OD1 2.67Å; H117-D132 IonicContact CD2-OD2 3.58Å; H117-D132 IonicContact CE1-OD1 3.56Å; H117-D132 IonicContact NE2-OD1 3.22Å; H117-D132 PolarHBondContact NE2-OD1 2.97Å; H117-D132 IonicContact NE2-OD2 2.74Å; L119-D132 HydrophobicContact CB-CB 3.81Å; L119-D132 HydrophobicContact CD2-CB 4.37Å; N130-D132 VanDerWaalsContact OD1-CB 3.28Å; N130-D132 WeakPolarHBondContact OD1-CB 3.43Å; N130-D132 PolarHBondContact OD1-N 2.78Å; D132-K134 PolarHBondContact O-N 3.23Å; D132-K134 VanDerWaalsContact O-N 3.16Å; D132-K134 WeakPolarHBondContact OD1-CB 3.5Å; D132-K134 PolarHBondContact OD1-N 3.23Å; D132-L135 HydrophobicContact CB-CD1 3.94Å; D132-L135 HydrophobicContact CB-CG 3.96Å; D132-L135 WeakPolarHBondContact O-CB 3.44Å; D132-L135 PolarHBondContact O-N 2.96Å
133S92.8Very high95.5Very high4 Ų449.5 Ų49.53%0.02828%0.284CS..THydrogen-bonded Turntrans-63.5-16.5-179.1600000112.9E9 K10 Q11 L131 L135E9-S133 WeakPolarHBondContact O-CB 3.5Å; K10-S133 CarbonylContact C-O 3.53Å; K10-S133 WeakPolarHBondContact CA-O 3.46Å; Q11-S133 WeakPolarHBondContact CB-OG 3.4Å; Q11-S133 PolarHBondContact N-O 3.35Å; L131-S133 PolarHBondContact O-N 3.31Å; L131-S133 VanDerWaalsContact O-N 3.13Å; S133-L135 VanDerWaalsContact C-N 3.31Å
134K92Very high95.5Very high85 Ų8550 Ų5037%0.3729%0.286SS..THydrogen-bonded Turntrans-76.1-14.7172.1-66.1-175.2176.6-174.20114S102 R103 D132S102-K134 PolarHBondContact OG-NZ 3.42Å; R103-K134 PolarHBondContact O-NZ 2.95Å; D132-K134 PolarHBondContact O-N 3.23Å; D132-K134 VanDerWaalsContact O-N 3.16Å; D132-K134 WeakPolarHBondContact OD1-CB 3.5Å; D132-K134 PolarHBondContact OD1-N 3.23Å
135L92.3Very high95.5Very high58 Ų5852.3 Ų52.330%0.30431%0.307SS..SBendtrans-75.5158.6179.9-62.6172.7000111.9H8 N130 D132 S133 G137 A139H8-L135 PolarHBondContact CE1-O 3.37Å; N130-L135 HydrophobicContact CB-CD1 4.48Å; D132-L135 HydrophobicContact CB-CD1 3.94Å; D132-L135 HydrophobicContact CB-CG 3.96Å; D132-L135 WeakPolarHBondContact O-CB 3.44Å; D132-L135 PolarHBondContact O-N 2.96Å; S133-L135 VanDerWaalsContact C-N 3.31Å; L135-G137 VanDerWaalsContact CB-O 3.29Å; L135-G137 WeakPolarHBondContact CB-O 3.4Å; L135-G137 PolarHBondContact O-N 3.1Å; L135-A139 HydrophobicContact CD1-CB 3.86Å
136K91.6Very high95.8Very high196 Ų19651.1 Ų51.185%0.85230%0.298SS*.SBendtrans-70.9-15.8172.9-71-176.9179.8179.10113.1K10K10-K136 WeakPolarHBondContact CE-O 3.32Å; K10-K136 PolarHBondContact NZ-O 2.97Å
137G94Very high96Very high24 Ų2448.8 Ų48.825%0.24727%0.274CS..SBendtrans-179.1-179.7178.400000110.4L135 A139L135-G137 VanDerWaalsContact CB-O 3.29Å; L135-G137 WeakPolarHBondContact CB-O 3.4Å; L135-G137 PolarHBondContact O-N 3.1Å; G137-A139 PolarHBondContact O-N 2.8Å
138P96.3Very high96Very high51 Ų5146.5 Ų46.533%0.33126%0.261SS..PPolyproline II helixtrans-54.4129.1172.9-16.123.7000111.3V6 H8 Y129 L131V6-P138 HydrophobicContact CB-CB 4.24Å; V6-P138 HydrophobicContact CB-CG 3.81Å; V6-P138 HydrophobicContact CG1-CB 3.85Å; V6-P138 HydrophobicContact CG1-CG 3.71Å; H8-P138 HydrophobicContact CB-CG 3.82Å; Y129-P138 HydrophobicContact CD1-CB 3.85Å; Y129-P138 HydrophobicContact CG-CB 4.4Å; L131-P138 HydrophobicContact CD2-CB 3.75Å; L131-P138 HydrophobicContact CD2-CG 4.2Å
139A97.1Very high96Very high40 Ų4049.4 Ų49.433%0.33129%0.286SS..EExtended strand (participates in β ladder)trans-102.4117.417100000109.2Y129 N130 L135 G137 I141Y129-A139 CarbonylContact C-O 3.56Å; Y129-A139 WeakPolarHBondContact CA-O 3.32Å; N130-A139 HydrophobicContact CB-CB 4.25Å; N130-A139 PolarHBondContact N-O 2.83Å; N130-A139 PolarHBondContact O-N 3.39Å; L135-A139 HydrophobicContact CD1-CB 3.86Å; G137-A139 PolarHBondContact O-N 2.8Å; A139-I141 PolarHBondContact O-N 3.21Å
140C97.4Very high95.9Very high67 Ų6749.1 Ų49.145%0.45329%0.285SS..EExtended strand (participates in β ladder)trans-65.5129.7177.5-1710000110.1Q127 Y129Q127-C140 PolarHBondContact OE1-SG 3.35Å; Y129-C140 HydrophobicContact CD1-CB 4Å; Y129-C140 HydrophobicContact CE1-CB 3.73Å
141I98.1Very high95.8Very high29 Ų2947.9 Ų47.915%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-92.2-43.6172.4-61.2167.5000109.4V121 Y128 N130 A139 E146 L147 F150V121-I141 HydrophobicContact CG1-CD1 3.66Å; V121-I141 HydrophobicContact CG2-CD1 4.25Å; Y128-I141 WeakPolarHBondContact O-CB 3.29Å; Y128-I141 PolarHBondContact O-N 2.91Å; N130-I141 HydrophobicContact CB-CD1 4Å; N130-I141 HydrophobicContact CB-CG1 4.07Å; A139-I141 PolarHBondContact O-N 3.21Å; I141-E146 HydrophobicContact CG2-CB 4.1Å; I141-E146 VanDerWaalsContact O-CB 3.26Å; I141-E146 WeakPolarHBondContact O-CB 3.36Å; I141-L147 HydrophobicContact CD1-CD1 4.33Å; I141-F150 HydrophobicContact CD1-CD1 3.91Å; I141-F150 HydrophobicContact CD1-CD2 4.38Å; I141-F150 HydrophobicContact CD1-CE1 4.11Å; I141-F150 HydrophobicContact CD1-CG 4.07Å; I141-F150 HydrophobicContact CD1-CZ 4.41Å; I141-F150 HydrophobicContact CG1-CD2 4.46Å; I141-F150 HydrophobicContact CG1-CG 4.47Å; I141-F150 HydrophobicContact CG2-CB 3.91Å; I141-F150 HydrophobicContact CG2-CG 4.3Å
142G97.3Very high95.7Very high14 Ų1450.3 Ų50.314%0.14430%0.295CS..EExtended strand (participates in β ladder)trans124.9-144.5-17700000112.7Y128Y128-G142 PolarHBondContact N-O 3.2Å; Y128-G142 PolarHBondContact O-N 3.09Å
143G96.8Very high95.7Very high27 Ų2755.2 Ų55.228%0.27832%0.318SS..SBendtrans-86.5-164.5178.200000113A145 E146 L147G143-A145 VanDerWaalsContact C-N 3.32Å; G143-A145 PolarHBondContact O-N 3.44Å; G143-E146 VanDerWaalsContact CA-OE2 3.29Å; G143-E146 WeakPolarHBondContact CA-OE2 3.31Å; G143-E146 PolarHBondContact N-OE2 2.78Å; G143-L147 WeakPolarHBondContact O-CB 3.4Å; G143-L147 PolarHBondContact O-N 2.81Å
144E95.9Very high95.7Very high86 Ų8656.4 Ų56.440%0.40232%0.323SS..Hα-helixtrans-64.1-34.6-179.2-73.1-166.7-157.100113.4M90 Y128 L147 R148M90-E144 HydrophobicContact CB-CG 4.23Å; M90-E144 HydrophobicContact CG-CG 4.22Å; Y128-E144 HydrophobicContact CE2-CG 4.03Å; E144-L147 PolarHBondContact O-N 3.1Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.27Å; E144-R148 IonicContact OE2-NH2 3.75Å; E144-R148 PolarHBondContact OE2-NH2 2.98Å; E144-R148 VanDerWaalsContact OE2-NH2 3.15Å
145A95.9Very high95.7Very high70 Ų7053.4 Ų53.458%0.57931%0.311SS*.Hα-helixtrans-66.6-47.6-179.200000110.8G143 L147 R148 A149G143-A145 VanDerWaalsContact C-N 3.32Å; G143-A145 PolarHBondContact O-N 3.44Å; A145-L147 VanDerWaalsContact C-N 3.32Å; A145-L147 PolarHBondContact O-N 3.49Å; A145-R148 PolarHBondContact O-N 3.42Å; A145-A149 PolarHBondContact O-N 3.11Å; A145-A149 VanDerWaalsContact O-N 3.09Å
146E97.9Very high95.7Very high99 Ų9955.1 Ų55.146%0.46333%0.327SS..Hα-helixtrans-64.5-39.1176.2-62.575.8-163.900111.1I141 G143 A149 F150I141-E146 HydrophobicContact CG2-CB 4.1Å; I141-E146 VanDerWaalsContact O-CB 3.26Å; I141-E146 WeakPolarHBondContact O-CB 3.36Å; G143-E146 VanDerWaalsContact CA-OE2 3.29Å; G143-E146 WeakPolarHBondContact CA-OE2 3.31Å; G143-E146 PolarHBondContact N-OE2 2.78Å; E146-A149 PolarHBondContact O-N 2.97Å; E146-F150 WeakPolarHBondContact O-CB 3.49Å; E146-F150 PolarHBondContact O-N 2.78Å
147L97.6Very high95.4Very high0 Ų048.6 Ų48.60%030%0.3CS..Hα-helixtrans-59.4-46.9173.1177.170.4000111.9M90 F96 V121 Y128 I141 G143 E144 A145 A149 F150 L151M90-L147 HydrophobicContact CE-CD2 3.92Å; M90-L147 HydrophobicContact CE-CG 4.48Å; M90-L147 HydrophobicContact SD-CD2 3.76Å; F96-L147 HydrophobicContact CE2-CD2 3.82Å; F96-L147 HydrophobicContact CZ-CD2 4.15Å; V121-L147 HydrophobicContact CG1-CD1 3.56Å; Y128-L147 HydrophobicContact CD1-CD1 4.07Å; Y128-L147 HydrophobicContact CD1-CD2 3.56Å; Y128-L147 HydrophobicContact CD1-CG 4.31Å; Y128-L147 HydrophobicContact CD2-CB 4.09Å; Y128-L147 HydrophobicContact CD2-CD2 3.92Å; Y128-L147 HydrophobicContact CE1-CD2 3.43Å; Y128-L147 VanDerWaalsContact CE1-CD2 3.43Å; Y128-L147 HydrophobicContact CE2-CD2 3.81Å; Y128-L147 HydrophobicContact CG-CB 4.17Å; Y128-L147 HydrophobicContact CG-CD1 4.13Å; Y128-L147 HydrophobicContact CG-CD2 3.79Å; Y128-L147 HydrophobicContact CG-CG 4.25Å; I141-L147 HydrophobicContact CD1-CD1 4.33Å; G143-L147 WeakPolarHBondContact O-CB 3.4Å; G143-L147 PolarHBondContact O-N 2.81Å; E144-L147 PolarHBondContact O-N 3.1Å; A145-L147 VanDerWaalsContact C-N 3.32Å; A145-L147 PolarHBondContact O-N 3.49Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 2.97Å; L147-F150 WeakPolarHBondContact O-CB 3.28Å; L147-F150 PolarHBondContact O-N 3.46Å; L147-L151 HydrophobicContact CD1-CD1 4.09Å; L147-L151 HydrophobicContact CD1-CD2 4.37Å; L147-L151 HydrophobicContact CD1-CG 3.98Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.17Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 3.36Å
148R96.4Very high94.6Very high42 Ų4256.5 Ų56.516%0.15833%0.33CS..Hα-helixtrans-62.4-39.1179.6-73.1176.1-159.7-86.85.4111.5V85 Q86 L88 M90 E144 A145 S152V85-R148 HydrophobicContact CG2-CB 4.14Å; V85-R148 HydrophobicContact CG2-CG 4.43Å; V85-R148 PolarHBondContact O-NH1 2.94Å; Q86-R148 PolarHBondContact O-NH1 3.28Å; Q86-R148 VanDerWaalsContact O-NH1 3.14Å; L88-R148 PolarHBondContact O-NH1 2.78Å; L88-R148 VanDerWaalsContact O-NH1 3.15Å; L88-R148 PolarHBondContact O-NH2 2.84Å; M90-R148 HydrophobicContact CE-CG 3.58Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.27Å; E144-R148 IonicContact OE2-NH2 3.75Å; E144-R148 PolarHBondContact OE2-NH2 2.98Å; E144-R148 VanDerWaalsContact OE2-NH2 3.15Å; A145-R148 PolarHBondContact O-N 3.42Å; R148-S152 WeakPolarHBondContact O-CB 3.4Å; R148-S152 PolarHBondContact O-N 2.9Å; R148-S152 PolarHBondContact O-OG 3.44Å
149A96.8Very high94.2Very high63 Ų6357.1 Ų57.152%0.52133%0.333SS..Hα-helixtrans-62.6-48.8173.800000110.9A145 E146 L147 L151 S152 E153A145-A149 PolarHBondContact O-N 3.11Å; A145-A149 VanDerWaalsContact O-N 3.09Å; E146-A149 PolarHBondContact O-N 2.97Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 2.97Å; A149-L151 PolarHBondContact O-N 2.81Å; A149-S152 PolarHBondContact O-N 3.47Å; A149-E153 PolarHBondContact O-N 3.19Å
150F97.2Very high93.9Very high30 Ų3055.3 Ų55.313%0.13232%0.318CS..Hα-helixtrans-57.5-48.8177.1176.1-91000112.3V121 N130 I141 E146 L147 S152 E153 Q154V121-F150 HydrophobicContact CG2-CD1 4.48Å; V121-F150 HydrophobicContact CG2-CE1 3.72Å; V121-F150 HydrophobicContact CG2-CZ 4.43Å; N130-F150 HydrophobicContact CB-CZ 4.41Å; I141-F150 HydrophobicContact CD1-CD1 3.91Å; I141-F150 HydrophobicContact CD1-CD2 4.38Å; I141-F150 HydrophobicContact CD1-CE1 4.11Å; I141-F150 HydrophobicContact CD1-CG 4.07Å; I141-F150 HydrophobicContact CD1-CZ 4.41Å; I141-F150 HydrophobicContact CG1-CD2 4.46Å; I141-F150 HydrophobicContact CG1-CG 4.47Å; I141-F150 HydrophobicContact CG2-CB 3.91Å; I141-F150 HydrophobicContact CG2-CG 4.3Å; E146-F150 WeakPolarHBondContact O-CB 3.49Å; E146-F150 PolarHBondContact O-N 2.78Å; L147-F150 WeakPolarHBondContact O-CB 3.28Å; L147-F150 PolarHBondContact O-N 3.46Å; F150-S152 PolarHBondContact O-N 3.31Å; F150-E153 PolarHBondContact O-N 3.42Å; F150-Q154 HydrophobicContact CD1-CG 4.2Å; F150-Q154 HydrophobicContact CE1-CG 3.73Å; F150-Q154 HydrophobicContact CE2-CG 4.23Å; F150-Q154 HydrophobicContact CZ-CG 3.76Å; F150-Q154 WeakPolarHBondContact O-CG 3.43Å; F150-Q154 PolarHBondContact O-N 3.26Å
151L96.6Very high93.8Very high0 Ų054.8 Ų54.80%031%0.309CS..Hα-helixtrans-64.7-41.5179.9-67.3178.6000111.7V85 L88 M90 F96 L98 L147 A149 E153 Q154 L155 M162V85-L151 HydrophobicContact CG1-CB 4.18Å; L88-L151 HydrophobicContact CD1-CD1 4.25Å; M90-L151 HydrophobicContact CE-CD1 4.26Å; F96-L151 HydrophobicContact CD1-CD1 4.13Å; F96-L151 HydrophobicContact CE1-CD1 3.97Å; F96-L151 HydrophobicContact CZ-CD1 4.25Å; L98-L151 HydrophobicContact CD1-CD2 4.16Å; L98-L151 HydrophobicContact CD2-CD2 4.2Å; L147-L151 HydrophobicContact CD1-CD1 4.09Å; L147-L151 HydrophobicContact CD1-CD2 4.37Å; L147-L151 HydrophobicContact CD1-CG 3.98Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.17Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 3.36Å; A149-L151 PolarHBondContact O-N 2.81Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 2.86Å; L151-Q154 PolarHBondContact O-N 2.78Å; L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 VanDerWaalsContact O-CG 3.23Å; L151-L155 WeakPolarHBondContact O-CG 3.23Å; L151-L155 PolarHBondContact O-N 3.45Å; L151-M162 HydrophobicContact CD1-SD 4.2Å; L151-M162 HydrophobicContact CD2-SD 3.79Å; L151-M162 HydrophobicContact CG-SD 4.44Å
152S95.1Very high93.7Very high50 Ų5053.4 Ų53.435%0.3530%0.302SS..Hα-helixtrans-58.5-45.6174.9-590000111.5V85 R148 A149 F150 L155 S156V85-S152 WeakPolarHBondContact CG2-OG 3.49Å; R148-S152 WeakPolarHBondContact O-CB 3.4Å; R148-S152 PolarHBondContact O-N 2.9Å; R148-S152 PolarHBondContact O-OG 3.44Å; A149-S152 PolarHBondContact O-N 3.47Å; F150-S152 PolarHBondContact O-N 3.31Å; S152-L155 PolarHBondContact O-N 2.85Å; S152-S156 PolarHBondContact O-N 3.04Å
153E94.2Very high93.7Very high125 Ų12552.9 Ų52.958%0.58430%0.296SS*.Hα-helixtrans-62-47.5177.2-174.4-174.8-173.900111.4A149 F150 L151 L155 S156A149-E153 PolarHBondContact O-N 3.19Å; F150-E153 PolarHBondContact O-N 3.42Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 2.86Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.7Å; E153-S156 WeakPolarHBondContact O-CB 3.21Å; E153-S156 PolarHBondContact O-N 3.1Å; E153-S156 PolarHBondContact O-OG 2.74Å
154Q93.4Very high93.8Very high29 Ų2951.6 Ų51.614%0.13628%0.283CS..Hα-helixtrans-62.1-40.8178.7-66.3-55.7-44.100112.3L98 F150 L151 S156 Q157 A160L98-Q154 HydrophobicContact CD2-CB 3.48Å; L98-Q154 VanDerWaalsContact CD2-CB 3.48Å; L98-Q154 HydrophobicContact CD2-CG 3.86Å; F150-Q154 HydrophobicContact CD1-CG 4.2Å; F150-Q154 HydrophobicContact CE1-CG 3.73Å; F150-Q154 HydrophobicContact CE2-CG 4.23Å; F150-Q154 HydrophobicContact CZ-CG 3.76Å; F150-Q154 WeakPolarHBondContact O-CG 3.43Å; F150-Q154 PolarHBondContact O-N 3.26Å; L151-Q154 PolarHBondContact O-N 2.78Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 3.15Å; Q154-Q157 PolarHBondContact O-N 3.17Å; Q154-A160 VanDerWaalsContact O-CB 3.22Å; Q154-A160 WeakPolarHBondContact O-CB 3.41Å
155L92.8Very high93.9Very high22 Ų2247.5 Ų47.512%0.11526%0.264CS..Hα-helixtrans-74.4-21.4-178.6-69.7171.9000113.8K81 V85 L151 S152 E153 Q157 M162K81-L155 WeakPolarHBondContact CE-O 3.33Å; K81-L155 HydrophobicContact CG-CD2 4.19Å; K81-L155 PolarHBondContact NZ-O 2.83Å; V85-L155 HydrophobicContact CG1-CD1 3.73Å; L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 VanDerWaalsContact O-CG 3.23Å; L151-L155 WeakPolarHBondContact O-CG 3.23Å; L151-L155 PolarHBondContact O-N 3.45Å; S152-L155 PolarHBondContact O-N 2.85Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.7Å; L155-Q157 PolarHBondContact O-N 3.42Å; L155-M162 HydrophobicContact CD1-CE 3.91Å; L155-M162 HydrophobicContact CD1-SD 4.39Å; L155-M162 HydrophobicContact CD2-CB 3.8Å
156S90.8Very high94Very high93 Ų9344.2 Ų44.265%0.6524%0.236SC*.THydrogen-bonded Turntrans-62.4-20.2175.476.20000113.3S152 E153 Q154 E158S152-S156 PolarHBondContact O-N 3.04Å; E153-S156 WeakPolarHBondContact O-CB 3.21Å; E153-S156 PolarHBondContact O-N 3.1Å; E153-S156 PolarHBondContact O-OG 2.74Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 3.15Å; S156-E158 PolarHBondContact O-N 3.14Å
157Q86.3Confident94Very high60 Ų6046.4 Ų46.428%0.2824%0.24SC..SBendtrans-70.8124.9174.3-58.2176.450.100109.2K81 P101 Q154 L155 V159 A160K81-Q157 PolarHBondContact NZ-O 2.93Å; P101-Q157 VanDerWaalsContact CD-OE1 3.24Å; P101-Q157 HydrophobicContact CG-CB 4.46Å; Q154-Q157 PolarHBondContact O-N 3.17Å; L155-Q157 PolarHBondContact O-N 3.42Å; Q157-V159 PolarHBondContact O-N 2.87Å; Q157-A160 HydrophobicContact CB-CB 4.12Å; Q157-A160 WeakPolarHBondContact O-CB 3.46Å; Q157-A160 PolarHBondContact O-N 3.42Å
158E77.5Confident93.8Very high189 Ų18951.4 Ų51.488%0.88326%0.259SS*.THydrogen-bonded Turntrans-45.5-47.1-171-70.9-174.7161.400113K81 S156K81-E158 PolarHBondContact NZ-O 3.33Å; S156-E158 PolarHBondContact O-N 3.14Å
159V86.4Confident93.8Very high65 Ų6552.5 Ų52.539%0.39427%0.268SS..THydrogen-bonded Turntrans-90.3-7.7-172.7-65.30000113.8P101 R116 Q157P101-V159 HydrophobicContact CB-CG2 3.9Å; P101-V159 HydrophobicContact CG-CG2 3.73Å; R116-V159 PolarHBondContact NH1-O 3.07Å; R116-V159 PolarHBondContact NH2-O 3.44Å; Q157-V159 PolarHBondContact O-N 2.87Å
160A91.8Very high93.8Very high1 Ų149.9 Ų49.91%0.00825%0.246CC..  trans-59.3150.9-174.600000112.9K81 N99 V100 Q154 Q157K81-A160 WeakPolarHBondContact CE-O 3.38Å; K81-A160 PolarHBondContact NZ-O 3.13Å; N99-A160 CarbonylContact O-C 3.55Å; N99-A160 VanDerWaalsContact O-CA 3.26Å; N99-A160 WeakPolarHBondContact O-CA 3.11Å; V100-A160 HydrophobicContact CG1-CB 4.2Å; Q154-A160 VanDerWaalsContact O-CB 3.22Å; Q154-A160 WeakPolarHBondContact O-CB 3.41Å; Q157-A160 HydrophobicContact CB-CB 4.12Å; Q157-A160 WeakPolarHBondContact O-CB 3.46Å; Q157-A160 PolarHBondContact O-N 3.42Å
161E94.8Very high93.8Very high57 Ų5752.3 Ų52.327%0.26626%0.257SS..EExtended strand (participates in β ladder)trans-133.1155.5169.6-62.1-64.9154.300108.9W78 L98 N99W78-E161 HydrophobicContact CZ2-CG 4.25Å; W78-E161 PolarHBondContact NE1-OE2 3.37Å; L98-E161 CarbonylContact C-O 3.53Å; L98-E161 WeakPolarHBondContact CA-O 3.35Å; N99-E161 HydrophobicContact CB-CB 4.08Å; N99-E161 PolarHBondContact N-O 3.01Å; N99-E161 PolarHBondContact O-N 2.94Å
162M96.5Very high93.6Very high0 Ų060 Ų600%029%0.293CS..EExtended strand (participates in β ladder)trans-136.2134.6176.5178.6175.47200110.8W79 L88 F96 I97 L98 L151 L155 L164W79-M162 HydrophobicContact CB-CB 4.09Å; W79-M162 HydrophobicContact CB-CE 3.47Å; W79-M162 VanDerWaalsContact CB-CE 3.47Å; W79-M162 HydrophobicContact CB-CG 4.36Å; W79-M162 WeakPolarHBondContact CB-O 3.38Å; W79-M162 VanDerWaalsContact CD1-CE 3.5Å; W79-M162 HydrophobicContact CD2-CE 3.71Å; W79-M162 HydrophobicContact CE3-CE 4.44Å; W79-M162 HydrophobicContact CG-CE 3.22Å; W79-M162 PolarHBondContact N-O 3.44Å; L88-M162 HydrophobicContact CD1-CE 4.24Å; F96-M162 HydrophobicContact CD1-SD 3.83Å; I97-M162 WeakPolarHBondContact O-CA 3.42Å; L98-M162 HydrophobicContact CG-CB 4.39Å; L98-M162 HydrophobicContact CG-CG 4.26Å; L151-M162 HydrophobicContact CD1-SD 4.2Å; L151-M162 HydrophobicContact CD2-SD 3.79Å; L151-M162 HydrophobicContact CG-SD 4.44Å; L155-M162 HydrophobicContact CD1-CE 3.91Å; L155-M162 HydrophobicContact CD1-SD 4.39Å; L155-M162 HydrophobicContact CD2-CB 3.8Å; M162-L164 HydrophobicContact CE-CD2 3.95Å; M162-L164 HydrophobicContact SD-CD2 4.46Å
163L97.8Very high93.6Very high3 Ų362.5 Ų62.52%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-110.7133.3170.8-55.5173.3000108.7V62 I65 A76 V77 W78 F96 I97 W118V62-L163 HydrophobicContact CG2-CD1 3.77Å; I65-L163 HydrophobicContact CG2-CD1 4.23Å; A76-L163 HydrophobicContact CB-CB 4.37Å; A76-L163 HydrophobicContact CB-CD1 4.36Å; V77-L163 CarbonylContact O-C 3.59Å; V77-L163 WeakPolarHBondContact O-CA 3.4Å; W78-L163 HydrophobicContact CB-CD2 4.31Å; W78-L163 HydrophobicContact CD2-CD2 4.04Å; W78-L163 HydrophobicContact CE3-CD2 4.43Å; W78-L163 HydrophobicContact CG-CD2 3.99Å; F96-L163 WeakPolarHBondContact CA-O 3.25Å; I97-L163 HydrophobicContact CB-CB 4.36Å; I97-L163 PolarHBondContact N-O 3Å; I97-L163 PolarHBondContact O-N 3.48Å; W118-L163 HydrophobicContact CZ3-CD1 4.14Å
164L98.1Very high93.6Very high0 Ų057.8 Ų57.80%029%0.288CS..EExtended strand (participates in β ladder)trans-86.8125.9167.8-45.4-179000108A76 V77 W79 L88 V93 F96 M162 V166 W176A76-L164 CarbonylContact C-O 3.56Å; A76-L164 WeakPolarHBondContact CA-O 2.93Å; V77-L164 HydrophobicContact CB-CB 4.24Å; V77-L164 PolarHBondContact N-O 3.04Å; V77-L164 PolarHBondContact O-N 2.86Å; W79-L164 HydrophobicContact CE3-CD1 4.09Å; L88-L164 HydrophobicContact CD2-CD1 3.6Å; L88-L164 HydrophobicContact CD2-CD2 3.73Å; L88-L164 HydrophobicContact CD2-CG 4.32Å; V93-L164 HydrophobicContact CG1-CB 4.2Å; V93-L164 HydrophobicContact CG2-CD1 4.33Å; F96-L164 HydrophobicContact CD1-CD2 3.61Å; F96-L164 HydrophobicContact CE1-CD2 3.66Å; M162-L164 HydrophobicContact CE-CD2 3.95Å; M162-L164 HydrophobicContact SD-CD2 4.46Å; L164-V166 HydrophobicContact CB-CG1 4.12Å; L164-W176 HydrophobicContact CD1-CB 4.19Å; L164-W176 HydrophobicContact CD1-CD2 3.93Å; L164-W176 HydrophobicContact CD1-CE3 3.49Å; L164-W176 VanDerWaalsContact CD1-CE3 3.49Å; L164-W176 HydrophobicContact CD1-CG 4.22Å; L164-W176 HydrophobicContact CD1-CZ3 4.19Å
165V98.1Very high93.7Very high0 Ų057.9 Ų57.90%029%0.291CS..EExtended strand (participates in β ladder)trans-89.8115.3169.8-176.30000107.5V24 L69 L74 A75 Q94 G95 I97V24-V165 HydrophobicContact CG1-CG2 4.24Å; V24-V165 HydrophobicContact CG2-CB 4.39Å; V24-V165 HydrophobicContact CG2-CG2 4.05Å; L69-V165 HydrophobicContact CD1-CG1 4.28Å; L69-V165 HydrophobicContact CD1-CG2 3.99Å; L69-V165 HydrophobicContact CD2-CG1 3.74Å; L69-V165 HydrophobicContact CD2-CG2 4.44Å; L74-V165 HydrophobicContact CD1-CG1 4.1Å; A75-V165 WeakPolarHBondContact O-CA 3.28Å; Q94-V165 WeakPolarHBondContact CA-O 3.36Å; Q94-V165 WeakPolarHBondContact CB-O 3.45Å; Q94-V165 PolarHBondContact N-O 2.86Å; G95-V165 PolarHBondContact N-O 3.29Å; G95-V165 WeakPolarHBondContact O-CB 3.45Å; G95-V165 PolarHBondContact O-N 2.71Å; I97-V165 HydrophobicContact CD1-CG2 3.88Å; I97-V165 HydrophobicContact CG1-CG2 3.93Å
166V98.1Very high93.8Very high0 Ų058.6 Ų58.60%029%0.293CS..EExtended strand (participates in β ladder)trans-134165.3-175.6-630000110.1L74 A75 V77 V93 L164 V170 E171 W176L74-V166 CarbonylContact C-O 3.23Å; L74-V166 WeakPolarHBondContact CA-O 3.43Å; L74-V166 WeakPolarHBondContact CB-O 3.36Å; A75-V166 HydrophobicContact CB-CG2 4.12Å; A75-V166 PolarHBondContact N-O 3.06Å; A75-V166 PolarHBondContact O-N 3.38Å; V77-V166 HydrophobicContact CG2-CG2 3.74Å; V93-V166 HydrophobicContact CG2-CG1 4.18Å; L164-V166 HydrophobicContact CB-CG1 4.12Å; V166-V170 HydrophobicContact CB-CB 4.12Å; V166-V170 HydrophobicContact CB-CG1 3.84Å; V166-V170 HydrophobicContact CG1-CG1 3.97Å; V166-V170 HydrophobicContact CG2-CG1 4.41Å; V166-E171 HydrophobicContact CG2-CB 3.98Å; V166-W176 HydrophobicContact CG1-CB 4.2Å
167R97.4Very high94Very high146 Ų14656.1 Ų56.155%0.55127%0.272SS*.EExtended strand (participates in β ladder)trans-69.3156.6165.2-71.5169.642.1124.9-3.1110.1L74 D169 V170 E171L74-R167 HydrophobicContact CD2-CG 4.27Å; R167-D169 VanDerWaalsContact C-N 3.35Å; R167-D169 WeakPolarHBondContact CB-OD1 3.41Å; R167-D169 IonicContact CZ-OD1 3.44Å; R167-D169 IonicContact CZ-OD2 3.75Å; R167-D169 IonicContact NE-OD1 3.42Å; R167-D169 PolarHBondContact NE-OD1 2.79Å; R167-D169 IonicContact NE-OD2 3.54Å; R167-D169 PolarHBondContact NE-OD2 3.37Å; R167-D169 VanDerWaalsContact NH2-CG 3.3Å; R167-D169 IonicContact NH2-OD1 2.69Å; R167-D169 PolarHBondContact NH2-OD1 2.89Å; R167-D169 IonicContact NH2-OD2 2.71Å; R167-D169 PolarHBondContact NH2-OD2 3.43Å; R167-D169 PolarHBondContact O-N 3.07Å; R167-V170 HydrophobicContact CB-CG2 4.31Å; R167-V170 WeakPolarHBondContact O-CB 3.48Å; R167-V170 PolarHBondContact O-N 3.01Å; R167-E171 PolarHBondContact O-N 2.81Å; R167-E171 VanDerWaalsContact O-N 3.1Å
168R94.8Very high94.1Very high105 Ų10556 Ų5640%0.39627%0.273SS..Hα-helixtrans-60.4-40.9179.3-66.3-166.8-155.4149.215.9113.5Q70 D73 V170 E171 E172Q70-R168 PolarHBondContact O-NH2 2.91Å; Q70-R168 VanDerWaalsContact O-NH2 3.15Å; D73-R168 IonicContact OD1-CZ 3.39Å; D73-R168 IonicContact OD1-NE 3.23Å; D73-R168 PolarHBondContact OD1-NE 2.67Å; D73-R168 IonicContact OD1-NH1 3.54Å; D73-R168 PolarHBondContact OD1-NH1 2.86Å; D73-R168 IonicContact OD1-NH2 2.84Å; D73-R168 PolarHBondContact OD1-NH2 3.36Å; R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 3.32Å; R168-E171 WeakPolarHBondContact O-CB 3.43Å; R168-E171 PolarHBondContact O-N 2.65Å; R168-E171 VanDerWaalsContact O-N 3.12Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.39Å
169D96.1Very high93.8Very high65 Ų6552.5 Ų52.535%0.34827%0.267SS..Hα-helixtrans-61.3-38.1177.561.3-26.7000112.4R167 E172 D173R167-D169 VanDerWaalsContact C-N 3.35Å; R167-D169 WeakPolarHBondContact CB-OD1 3.41Å; R167-D169 IonicContact CZ-OD1 3.44Å; R167-D169 IonicContact CZ-OD2 3.75Å; R167-D169 IonicContact NE-OD1 3.42Å; R167-D169 PolarHBondContact NE-OD1 2.79Å; R167-D169 IonicContact NE-OD2 3.54Å; R167-D169 PolarHBondContact NE-OD2 3.37Å; R167-D169 VanDerWaalsContact NH2-CG 3.3Å; R167-D169 IonicContact NH2-OD1 2.69Å; R167-D169 PolarHBondContact NH2-OD1 2.89Å; R167-D169 IonicContact NH2-OD2 2.71Å; R167-D169 PolarHBondContact NH2-OD2 3.43Å; R167-D169 PolarHBondContact O-N 3.07Å; D169-E172 PolarHBondContact O-N 3.39Å; D169-D173 WeakPolarHBondContact O-CB 3.38Å; D169-D173 PolarHBondContact O-N 2.78Å
170V96.9Very high92.7Very high8 Ų856.6 Ų56.65%0.04829%0.286CS..Hα-helixtrans-66.7-36.9174.5172.50000112.1K92 V166 R167 R168 D173 G174 S175 W176K92-V170 HydrophobicContact CB-CG1 3.98Å; K92-V170 HydrophobicContact CD-CG2 4.34Å; V166-V170 HydrophobicContact CB-CB 4.12Å; V166-V170 HydrophobicContact CB-CG1 3.84Å; V166-V170 HydrophobicContact CG1-CG1 3.97Å; V166-V170 HydrophobicContact CG2-CG1 4.41Å; R167-V170 HydrophobicContact CB-CG2 4.31Å; R167-V170 WeakPolarHBondContact O-CB 3.48Å; R167-V170 PolarHBondContact O-N 3.01Å; R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 3.32Å; V170-D173 WeakPolarHBondContact CA-OD1 3.13Å; V170-G174 PolarHBondContact O-N 3.44Å; V170-G174 VanDerWaalsContact O-N 3.12Å; V170-S175 PolarHBondContact O-N 2.9Å; V170-W176 HydrophobicContact CG1-CB 3.94Å; V170-W176 HydrophobicContact CG1-CG 4.49Å; V170-W176 VanDerWaalsContact O-CD1 3.22Å
171E95.8Very high91.1Very high80 Ų8058 Ų5837%0.37430%0.296SS..Hα-helixtrans-64.2-48.2172.5172.2178.1-123.600111.1A75 V77 V166 R167 R168 G174A75-E171 HydrophobicContact CB-CB 3.84Å; A75-E171 HydrophobicContact CB-CG 4.19Å; A75-E171 WeakPolarHBondContact CB-OE2 3.35Å; V77-E171 HydrophobicContact CG2-CB 3.98Å; V77-E171 HydrophobicContact CG2-CG 3.83Å; V166-E171 HydrophobicContact CG2-CB 3.98Å; R167-E171 PolarHBondContact O-N 2.81Å; R167-E171 VanDerWaalsContact O-N 3.1Å; R168-E171 WeakPolarHBondContact O-CB 3.43Å; R168-E171 PolarHBondContact O-N 2.65Å; R168-E171 VanDerWaalsContact O-N 3.12Å; E171-G174 PolarHBondContact O-N 2.84Å
172E94.1Very high88.9Confident163 Ų16360 Ų6076%0.76231%0.314SS*.Hα-helixtrans-64.1-41.3-177.3-72.5174.5-177.800112.7R168 D169R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.39Å; D169-E172 PolarHBondContact O-N 3.39Å
173D94.7Very high86.7Confident101 Ų10166.3 Ų66.354%0.5435%0.348SS..Hα-helixtrans-86.2-12.2-179.173.114.9000114.1D169 V170 S175D169-D173 WeakPolarHBondContact O-CB 3.38Å; D169-D173 PolarHBondContact O-N 2.78Å; V170-D173 WeakPolarHBondContact CA-OD1 3.13Å; D173-S175 PolarHBondContact O-N 3.16Å; D173-S175 WeakPolarHBondContact OD1-CA 3.47Å; D173-S175 WeakPolarHBondContact OD1-CB 3.43Å; D173-S175 PolarHBondContact OD1-N 3.27Å; D173-S175 PolarHBondContact OD1-OG 2.84Å; D173-S175 PolarHBondContact OD2-OG 2.84Å
174G94.3Very high84.1Confident27 Ų2776.4 Ų76.428%0.27840%0.402SS..  trans72.411.7179.500000114.8V170 E171 W176 L177V170-G174 PolarHBondContact O-N 3.44Å; V170-G174 VanDerWaalsContact O-N 3.12Å; E171-G174 PolarHBondContact O-N 2.84Å; G174-W176 PolarHBondContact O-N 3.43Å; G174-W176 VanDerWaalsContact O-N 3.08Å; G174-L177 PolarHBondContact O-N 3.02Å
175S95.4Very high83.4Confident30 Ų3080.3 Ų80.321%0.2142%0.422CS..THydrogen-bonded Turntrans-69.7-5.4-173.562.50000114.6C89 V170 D173 L177C89-S175 VanDerWaalsContact CB-O 3.24Å; C89-S175 WeakPolarHBondContact CB-O 3.49Å; V170-S175 PolarHBondContact O-N 2.9Å; D173-S175 PolarHBondContact O-N 3.16Å; D173-S175 WeakPolarHBondContact OD1-CA 3.47Å; D173-S175 WeakPolarHBondContact OD1-CB 3.43Å; D173-S175 PolarHBondContact OD1-N 3.27Å; D173-S175 PolarHBondContact OD1-OG 2.84Å; D173-S175 PolarHBondContact OD2-OG 2.84Å; S175-L177 PolarHBondContact O-N 2.61Å
176W94.4Very high82.7Confident38 Ų3884.5 Ų84.514%0.14444%0.444CS..THydrogen-bonded Turntrans-66-15.1167.154.9-95.9000113.1V77 W79 C89 V93 L164 V166 V170 G174V77-W176 HydrophobicContact CG1-CD2 4.13Å; V77-W176 HydrophobicContact CG1-CE3 4.49Å; V77-W176 HydrophobicContact CG1-CH2 3.95Å; V77-W176 HydrophobicContact CG1-CZ2 3.54Å; V77-W176 HydrophobicContact CG1-CZ3 4.4Å; W79-W176 HydrophobicContact CE3-CZ3 4.07Å; W79-W176 HydrophobicContact CZ3-CE3 4.21Å; W79-W176 AromaticContact CZ3-CZ3 3.84Å; W79-W176 HydrophobicContact CZ3-CZ3 3.84Å; C89-W176 PolarHBondContact N-O 2.64Å; V93-W176 HydrophobicContact CG2-CB 4.25Å; L164-W176 HydrophobicContact CD1-CB 4.19Å; L164-W176 HydrophobicContact CD1-CD2 3.93Å; L164-W176 HydrophobicContact CD1-CE3 3.49Å; L164-W176 VanDerWaalsContact CD1-CE3 3.49Å; L164-W176 HydrophobicContact CD1-CG 4.22Å; L164-W176 HydrophobicContact CD1-CZ3 4.19Å; V166-W176 HydrophobicContact CG1-CB 4.2Å; V170-W176 HydrophobicContact CG1-CB 3.94Å; V170-W176 HydrophobicContact CG1-CG 4.49Å; V170-W176 VanDerWaalsContact O-CD1 3.22Å; G174-W176 PolarHBondContact O-N 3.43Å; G174-W176 VanDerWaalsContact O-N 3.08Å
177L94.2Very high81.8Confident41 Ų4189.2 Ų89.222%0.21547%0.469CS..BIsolated β-bridgetrans-109.1130.3175.7-168.571.1000110.7W79 S87 G174 S175 P179W79-L177 HydrophobicContact CH2-CD1 4.13Å; W79-L177 HydrophobicContact CZ3-CD1 4.11Å; S87-L177 WeakPolarHBondContact OG-CD1 3.38Å; G174-L177 PolarHBondContact O-N 3.02Å; S175-L177 PolarHBondContact O-N 2.61Å; L177-P179 WeakPolarHBondContact O-CD 3.17Å
178N90.1Very high80.9Confident57 Ų5785.8 Ų85.831%0.30546%0.464SS..  trans-77.3121171.2-68.7-31.8000109.5S87 L88 C89 D180S87-N178 WeakPolarHBondContact O-CB 3.29Å; S87-N178 PolarHBondContact O-N 3.21Å; L88-N178 PolarHBondContact O-ND2 3.02Å; C89-N178 VanDerWaalsContact CB-OD1 3.28Å; C89-N178 WeakPolarHBondContact CB-OD1 3.34Å; C89-N178 PolarHBondContact SG-OD1 2.77Å; C89-N178 VanDerWaalsContact SG-OD1 3.4Å; N178-D180 VanDerWaalsContact C-N 3.25Å; N178-D180 PolarHBondContact O-N 2.83Å
179P70.5Confident80Confident115 Ų11584.6 Ų84.675%0.74747%0.469SS*.THydrogen-bonded Turntrans-66.8-25.8-176.725.5-33.3000113.3L177 S181L177-P179 WeakPolarHBondContact O-CD 3.17Å; P179-S181 VanDerWaalsContact C-N 3.33Å; P179-S181 PolarHBondContact O-N 2.82Å
180D63.5Low79Confident151 Ų15185.9 Ų85.981%0.80748%0.477SS*.THydrogen-bonded Turntrans-90.38.4-173-58.8-41.7000114.2N178 P182N178-D180 VanDerWaalsContact C-N 3.25Å; N178-D180 PolarHBondContact O-N 2.83Å; D180-P182 WeakPolarHBondContact O-CD 2.88Å
181S56.8Low77.7Confident30 Ų3091.5 Ų91.521%0.2151%0.507CS..SBendtrans-83.6121.3-179.9-60.40000110S87 P179 N183S87-S181 VanDerWaalsContact CA-OG 3.29Å; S87-S181 WeakPolarHBondContact CA-OG 3.48Å; P179-S181 VanDerWaalsContact C-N 3.33Å; P179-S181 PolarHBondContact O-N 2.82Å; S181-N183 PolarHBondContact O-N 3.13Å
182P49.9Very low76.3Confident99 Ų9992.4 Ų92.464%0.64352%0.517SS*.  trans-59.2127.9-179.821.9-30.2000109.6D180 N184D180-P182 WeakPolarHBondContact O-CD 2.88Å; P182-N184 PolarHBondContact O-N 3.27Å
183N49.1Very low74.8Confident133 Ų13386.5 Ų86.571%0.71150%0.497SS*.  trans-62.9107.2159.9-78.9-20.7000105.6S181S181-N183 PolarHBondContact O-N 3.13Å
184N44.7Very low73Confident216 Ų21685.2 Ų85.2100%1.15549%0.493SS*.  trans-78.20173.9-139.432.4000109.4P182P182-N184 PolarHBondContact O-N 3.27Å

Retrieved 184 of 184 residues in 695.6 ms (Link to these results)

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