A0A087XFV3_POEFO Loading...

COMM domain containing 8

AlphaFold DB , UniProt , Accession A0A087XFV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 176 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
1M64.2Low79.9Confident95 Ų9561 Ų6147%0.46833%0.327SS..  0-34.70-68.8-159-6900113.1I4 L5 Q46 F50M1-I4 VanDerWaalsContact O-CB 3.31Å; M1-I4 WeakPolarHBondContact O-CB 3.48Å; M1-I4 PolarHBondContact O-N 3.45Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 2.8Å; M1-Q46 HydrophobicContact SD-CB 4.24Å; M1-Q46 VanDerWaalsContact SD-O 3.4Å; M1-F50 HydrophobicContact CE-CB 3.36Å; M1-F50 HydrophobicContact CE-CD1 4.24Å; M1-F50 HydrophobicContact CE-CD2 3.13Å; M1-F50 HydrophobicContact CE-CE2 3.97Å; M1-F50 HydrophobicContact CE-CG 3.29Å; M1-F50 HydrophobicContact SD-CB 3.37Å; M1-F50 WeakPolarHBondContact SD-CB 3.33Å; M1-F50 HydrophobicContact SD-CD2 4.28Å; M1-F50 HydrophobicContact SD-CG 3.82Å
2M66Low80.7Confident20 Ų2060.7 Ų60.710%0.09933%0.325CS..Hα-helixtrans-68.9-36175.7-58-50169.300113.7I4 L5 S6 F50 K71 L72 D74 A75M2-I4 PolarHBondContact O-N 2.86Å; M2-I4 VanDerWaalsContact O-N 3.14Å; M2-L5 PolarHBondContact O-N 3.24Å; M2-L5 VanDerWaalsContact O-N 3.14Å; M2-L5 HydrophobicContact SD-CD1 4.33Å; M2-S6 PolarHBondContact O-N 2.8Å; M2-S6 PolarHBondContact O-OG 3.05Å; M2-F50 HydrophobicContact CE-CE1 3.48Å; M2-F50 VanDerWaalsContact CE-CE1 3.48Å; M2-F50 HydrophobicContact CE-CE2 4.32Å; M2-F50 HydrophobicContact CE-CZ 3.28Å; M2-F50 HydrophobicContact SD-CE1 4.27Å; M2-K71 WeakPolarHBondContact CE-O 3.37Å; M2-L72 HydrophobicContact CE-CD2 3.59Å; M2-L72 HydrophobicContact SD-CD2 4.29Å; M2-D74 HydrophobicContact CB-CB 4.06Å; M2-D74 WeakPolarHBondContact CB-O 3.25Å; M2-D74 HydrophobicContact CG-CB 3.85Å; M2-A75 HydrophobicContact CB-CB 4.34Å; M2-A75 HydrophobicContact CG-CB 4.23Å; M2-A75 HydrophobicContact SD-CB 4.07Å
3E69.4Low81.5Confident157 Ų15756 Ų5673%0.73430%0.3SS*.Hα-helixtrans-59.8-21169.1-71.7-172.7155.400113.9S6 R7E3-S6 PolarHBondContact O-OG 2.93Å; E3-R7 WeakPolarHBondContact O-CG 3.29Å
4I80.1Confident82.3Confident13 Ų1355.4 Ų55.47%0.06730%0.299CS..Hα-helixtrans-82.3-43.9178.1-57.8176.2000108.4M1 M2 S6 R7 W39 E43 L47M1-I4 VanDerWaalsContact O-CB 3.31Å; M1-I4 WeakPolarHBondContact O-CB 3.48Å; M1-I4 PolarHBondContact O-N 3.45Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M2-I4 PolarHBondContact O-N 2.86Å; M2-I4 VanDerWaalsContact O-N 3.14Å; I4-S6 PolarHBondContact O-N 3.45Å; I4-R7 WeakPolarHBondContact O-CB 3.37Å; I4-R7 PolarHBondContact O-N 3.45Å; I4-W39 HydrophobicContact CG2-CD2 4.21Å; I4-W39 HydrophobicContact CG2-CG 3.98Å; I4-W39 HydrophobicContact CG2-CZ2 4.39Å; I4-W39 VanDerWaalsContact O-CZ2 3.31Å; I4-W39 WeakPolarHBondContact O-CZ2 3.42Å; I4-W39 PolarHBondContact O-NE1 3.18Å; I4-E43 HydrophobicContact CD1-CB 4.06Å; I4-E43 HydrophobicContact CD1-CG 4.04Å; I4-E43 HydrophobicContact CG2-CB 4.26Å; I4-L47 HydrophobicContact CG2-CB 4.41Å; I4-L47 HydrophobicContact CG2-CD2 4.22Å
5L79.9Confident82.9Confident6 Ų659.6 Ų59.63%0.03131%0.313CS..Hα-helixtrans-63.9-34.9177.3-113141.8000113.5M1 M2 R7 I8 C13 L47 L51 H79M1-L5 PolarHBondContact O-N 2.8Å; M2-L5 PolarHBondContact O-N 3.24Å; M2-L5 VanDerWaalsContact O-N 3.14Å; M2-L5 HydrophobicContact SD-CD1 4.33Å; L5-R7 PolarHBondContact O-N 2.99Å; L5-I8 WeakPolarHBondContact O-CG1 3.42Å; L5-I8 PolarHBondContact O-N 2.74Å; L5-C13 HydrophobicContact CD2-CB 4.36Å; L5-C13 WeakPolarHBondContact CD2-SG 3.3Å; L5-L47 HydrophobicContact CD1-CD1 3.47Å; L5-L47 VanDerWaalsContact CD1-CD1 3.47Å; L5-L47 HydrophobicContact CG-CD1 3.72Å; L5-L51 HydrophobicContact CD1-CD2 4.17Å; L5-H79 PolarHBondContact O-CD2 3.21Å; L5-H79 PolarHBondContact O-NE2 3.34Å
6S82.1Confident83.6Confident58 Ų5855.9 Ų55.941%0.40629%0.294SS..THydrogen-bonded Turntrans-71.4-11.5178.762.20000114M2 E3 I4 I8M2-S6 PolarHBondContact O-N 2.8Å; M2-S6 PolarHBondContact O-OG 3.05Å; E3-S6 PolarHBondContact O-OG 2.93Å; I4-S6 PolarHBondContact O-N 3.45Å; S6-I8 PolarHBondContact O-N 3.46Å
7R86.1Confident84.2Confident123 Ų12352.6 Ų52.646%0.46428%0.276SS..THydrogen-bonded Turntrans-72.8-8.7175.5-59.8-175.1-170.41656.9113.9E3 I4 L5 T38 E43E3-R7 WeakPolarHBondContact O-CG 3.29Å; I4-R7 WeakPolarHBondContact O-CB 3.37Å; I4-R7 PolarHBondContact O-N 3.45Å; L5-R7 PolarHBondContact O-N 2.99Å; R7-T38 HydrophobicContact CB-CG2 4.08Å; R7-E43 IonicContact CZ-OE1 3.28Å; R7-E43 VanDerWaalsContact CZ-OE1 3.28Å; R7-E43 VanDerWaalsContact NH1-CD 3.26Å; R7-E43 IonicContact NH1-OE1 2.8Å; R7-E43 PolarHBondContact NH1-OE1 3.23Å; R7-E43 IonicContact NH1-OE2 3.05Å; R7-E43 PolarHBondContact NH1-OE2 2.95Å; R7-E43 IonicContact NH2-OE1 2.91Å; R7-E43 PolarHBondContact NH2-OE1 3.4Å
8I87.4Confident84.8Confident18 Ų1853.1 Ų53.19%0.09228%0.277CS..SBendtrans-116.9158175.158.1163.6000111.2L5 S6 D12 C13 L16 T38 W39 H79L5-I8 WeakPolarHBondContact O-CG1 3.42Å; L5-I8 PolarHBondContact O-N 2.74Å; S6-I8 PolarHBondContact O-N 3.46Å; I8-D12 HydrophobicContact CB-CB 4.38Å; I8-D12 HydrophobicContact CD1-CB 4.36Å; I8-C13 HydrophobicContact CD1-CB 4Å; I8-L16 HydrophobicContact CD1-CD2 4.26Å; I8-T38 HydrophobicContact CG2-CG2 3.8Å; I8-W39 HydrophobicContact CB-CZ2 4.45Å; I8-W39 HydrophobicContact CD1-CH2 3.71Å; I8-W39 HydrophobicContact CD1-CZ2 4.16Å; I8-W39 HydrophobicContact CG1-CH2 4.06Å; I8-W39 HydrophobicContact CG1-CZ2 4.01Å; I8-W39 HydrophobicContact CG2-CH2 3.74Å; I8-W39 HydrophobicContact CG2-CZ2 3.66Å; I8-H79 PolarHBondContact O-NE2 3.37Å
9S89.4Confident85.3Confident50 Ų5055.9 Ų55.935%0.3528%0.283SS..  trans-63153.1174.574.40000111.2T11 D12 C13S9-T11 PolarHBondContact O-N 2.78Å; S9-T11 PolarHBondContact OG-OG1 2.81Å; S9-D12 PolarHBondContact O-N 3.16Å; S9-D12 WeakPolarHBondContact OG-CB 3.19Å; S9-D12 PolarHBondContact OG-N 3.06Å; S9-D12 PolarHBondContact OG-OD2 3.35Å; S9-C13 PolarHBondContact O-N 2.99Å
10A85.5Confident85.7Confident37 Ų3753.3 Ų53.331%0.30627%0.27SS..Hα-helixtrans-57.5-32.7173.600000112C13 V14A10-C13 WeakPolarHBondContact O-CB 3.44Å; A10-C13 PolarHBondContact O-N 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.25Å; A10-V14 PolarHBondContact O-N 2.89Å; A10-V14 VanDerWaalsContact O-N 3.1Å
11T88.9Confident86.2Confident94 Ų9450.8 Ų50.858%0.57726%0.258SS*.Hα-helixtrans-67.5-36.9175.543.50000113.4S9 K15S9-T11 PolarHBondContact O-N 2.78Å; S9-T11 PolarHBondContact OG-OG1 2.81Å; T11-K15 PolarHBondContact O-N 2.83Å
12D89.4Confident87.5Confident57 Ų5747.5 Ų47.531%0.30524%0.242SC..Hα-helixtrans-79.8-25.6176.8-61.2-42.6000111.5I8 S9 K15 L16I8-D12 HydrophobicContact CB-CB 4.38Å; I8-D12 HydrophobicContact CD1-CB 4.36Å; S9-D12 PolarHBondContact O-N 3.16Å; S9-D12 WeakPolarHBondContact OG-CB 3.19Å; S9-D12 PolarHBondContact OG-N 3.06Å; S9-D12 PolarHBondContact OG-OD2 3.35Å; D12-K15 PolarHBondContact O-N 2.98Å; D12-K15 IonicContact OD1-NZ 4Å; D12-K15 PolarHBondContact OD1-NZ 2.88Å; D12-L16 WeakPolarHBondContact O-CB 3.35Å; D12-L16 PolarHBondContact O-N 3.22Å
13C90.6Very high88.7Confident0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-60.2-48.2169.7177.80000110.2L5 I8 S9 A10 K15 L16 C17L5-C13 HydrophobicContact CD2-CB 4.36Å; L5-C13 WeakPolarHBondContact CD2-SG 3.3Å; I8-C13 HydrophobicContact CD1-CB 4Å; S9-C13 PolarHBondContact O-N 2.99Å; A10-C13 WeakPolarHBondContact O-CB 3.44Å; A10-C13 PolarHBondContact O-N 3.27Å; C13-K15 VanDerWaalsContact C-N 3.34Å; C13-K15 PolarHBondContact O-N 3.46Å; C13-L16 PolarHBondContact O-N 3.49Å; C13-C17 WeakPolarHBondContact O-CB 3.39Å; C13-C17 PolarHBondContact O-N 2.9Å; C13-C17 PolarHBondContact O-SG 2.78Å
14V92.6Very high89.6Confident47 Ų4740.4 Ų40.429%0.28521%0.214SC..Hα-helixtrans-54.2-48.5173.9166.30000111.9A10 L16 C17 H18 A82 I86A10-V14 WeakPolarHBondContact O-CG2 3.25Å; A10-V14 PolarHBondContact O-N 2.89Å; A10-V14 VanDerWaalsContact O-N 3.1Å; V14-L16 PolarHBondContact O-N 2.85Å; V14-C17 PolarHBondContact O-N 2.87Å; V14-H18 PolarHBondContact O-CD2 3.09Å; V14-H18 PolarHBondContact O-N 2.82Å; V14-A82 HydrophobicContact CG2-CB 3.73Å; V14-I86 HydrophobicContact CG1-CD1 4.08Å; V14-I86 HydrophobicContact CG1-CG1 4.48Å
15K92.4Very high90.1Very high119 Ų11941.2 Ų41.252%0.51722%0.221SC..Hα-helixtrans-62.7-43.2178.7-67.5174.3-166.3155.30112.1T11 D12 C13 H18 R19T11-K15 PolarHBondContact O-N 2.83Å; D12-K15 PolarHBondContact O-N 2.98Å; D12-K15 IonicContact OD1-NZ 4Å; D12-K15 PolarHBondContact OD1-NZ 2.88Å; C13-K15 VanDerWaalsContact C-N 3.34Å; C13-K15 PolarHBondContact O-N 3.46Å; K15-H18 PolarHBondContact O-N 3.27Å; K15-R19 WeakPolarHBondContact O-CG 3.33Å; K15-R19 PolarHBondContact O-N 2.76Å; K15-R19 VanDerWaalsContact O-N 3.07Å
16L93.1Very high90.3Very high0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-61.4-48.5177.1177.362.5000110.5I8 D12 C13 V14 H18 R19 V20 P30 Y35 W39 W44 L47 L48 L51I8-L16 HydrophobicContact CD1-CD2 4.26Å; D12-L16 WeakPolarHBondContact O-CB 3.35Å; D12-L16 PolarHBondContact O-N 3.22Å; C13-L16 PolarHBondContact O-N 3.49Å; V14-L16 PolarHBondContact O-N 2.85Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.35Å; L16-R19 PolarHBondContact O-N 3.39Å; L16-R19 VanDerWaalsContact O-N 3.1Å; L16-V20 HydrophobicContact CD1-CG2 4.36Å; L16-V20 HydrophobicContact CG-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 3.35Å; L16-P30 HydrophobicContact CD1-CB 3.86Å; L16-P30 HydrophobicContact CD1-CG 3.96Å; L16-Y35 HydrophobicContact CD1-CE1 4.49Å; L16-Y35 HydrophobicContact CD1-CE2 3.99Å; L16-W39 HydrophobicContact CD2-CH2 3.77Å; L16-W39 HydrophobicContact CD2-CZ3 4.05Å; L16-W44 HydrophobicContact CD1-CH2 3.79Å; L16-W44 HydrophobicContact CD1-CZ3 3.83Å; L16-L47 HydrophobicContact CD2-CD2 3.84Å; L16-L48 HydrophobicContact CD1-CD2 4.42Å; L16-L51 HydrophobicContact CD2-CD1 4.18Å; L16-L51 HydrophobicContact CG-CD1 4.38Å
17C94.1Very high90.7Very high0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-58-43.5177.2-71.40000112C13 V14 R19 V20 V21 F55 I86C13-C17 WeakPolarHBondContact O-CB 3.39Å; C13-C17 PolarHBondContact O-N 2.9Å; C13-C17 PolarHBondContact O-SG 2.78Å; V14-C17 PolarHBondContact O-N 2.87Å; C17-R19 VanDerWaalsContact C-N 3.34Å; C17-R19 PolarHBondContact O-N 2.8Å; C17-V20 PolarHBondContact O-N 2.86Å; C17-V21 WeakPolarHBondContact O-CG2 3.49Å; C17-V21 PolarHBondContact O-N 2.99Å; C17-F55 HydrophobicContact CB-CE2 4.4Å; C17-F55 HydrophobicContact CB-CZ 4.03Å; C17-I86 HydrophobicContact CB-CB 4.11Å; C17-I86 HydrophobicContact CB-CG1 3.93Å; C17-I86 HydrophobicContact CB-CG2 4.03Å
18H94.7Very high90.7Very high61 Ų6148.4 Ų48.428%0.28227%0.265SS..Hα-helixtrans-57.5-46.1173.4-83.7-55.4000112.4V14 K15 L16 V21 D22 I86V14-H18 PolarHBondContact O-CD2 3.09Å; V14-H18 PolarHBondContact O-N 2.82Å; K15-H18 PolarHBondContact O-N 3.27Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.35Å; H18-V21 PolarHBondContact O-N 2.98Å; H18-D22 VanDerWaalsContact O-CG 3.28Å; H18-D22 PolarHBondContact O-N 3.11Å; H18-I86 WeakPolarHBondContact CE1-CD1 3.49Å; H18-I86 VanDerWaalsContact NE2-CD1 3.26Å; H18-I86 WeakPolarHBondContact NE2-CD1 3.49Å
19R94.1Very high90.8Very high107 Ų10751.3 Ų51.340%0.40429%0.285SS..Hα-helixtrans-67-35.4178.6-71.3-66.1-164.4151.53.1112.7K15 L16 C17 D22 G23 E28 P30K15-R19 WeakPolarHBondContact O-CG 3.33Å; K15-R19 PolarHBondContact O-N 2.76Å; K15-R19 VanDerWaalsContact O-N 3.07Å; L16-R19 PolarHBondContact O-N 3.39Å; L16-R19 VanDerWaalsContact O-N 3.1Å; C17-R19 VanDerWaalsContact C-N 3.34Å; C17-R19 PolarHBondContact O-N 2.8Å; R19-D22 PolarHBondContact O-N 3.47Å; R19-G23 PolarHBondContact O-N 3.17Å; R19-E28 IonicContact NH1-OE2 2.85Å; R19-E28 PolarHBondContact NH1-OE2 2.79Å; R19-P30 HydrophobicContact CB-CB 4Å; R19-P30 HydrophobicContact CB-CG 3.6Å; R19-P30 WeakPolarHBondContact O-CD 3.42Å
20V94.7Very high90.8Very high4 Ų449.7 Ų49.72%0.02427%0.273CS..Hα-helixtrans-62.3-45.7173171.70000110.2L16 C17 G23 L24 P30 L48 L51 F55L16-V20 HydrophobicContact CD1-CG2 4.36Å; L16-V20 HydrophobicContact CG-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 3.35Å; C17-V20 PolarHBondContact O-N 2.86Å; V20-G23 PolarHBondContact O-N 3.01Å; V20-L24 HydrophobicContact CG1-CD1 4.47Å; V20-L24 PolarHBondContact O-N 2.86Å; V20-P30 HydrophobicContact CB-CG 4.49Å; V20-P30 HydrophobicContact CG2-CG 3.72Å; V20-L48 HydrophobicContact CG2-CD2 3.73Å; V20-L51 HydrophobicContact CG1-CB 4.06Å; V20-L51 HydrophobicContact CG2-CB 4.35Å; V20-L51 HydrophobicContact CG2-CD1 4.2Å; V20-F55 HydrophobicContact CB-CE2 4.42Å; V20-F55 HydrophobicContact CG1-CD2 3.95Å; V20-F55 HydrophobicContact CG1-CE2 4.09Å
21V94.8Very high90.9Very high0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-64.4-40.31761730000111.5C17 H18 G23 L24 C25 F55 I86 R90 I94C17-V21 WeakPolarHBondContact O-CG2 3.49Å; C17-V21 PolarHBondContact O-N 2.99Å; H18-V21 PolarHBondContact O-N 2.98Å; V21-G23 VanDerWaalsContact C-N 3.3Å; V21-G23 PolarHBondContact O-N 3.35Å; V21-L24 WeakPolarHBondContact O-CB 3.47Å; V21-L24 PolarHBondContact O-N 2.79Å; V21-L24 VanDerWaalsContact O-N 3.11Å; V21-C25 WeakPolarHBondContact O-CB 3.36Å; V21-C25 PolarHBondContact O-N 2.79Å; V21-C25 PolarHBondContact O-SG 2.96Å; V21-F55 HydrophobicContact CG2-CD1 4.44Å; V21-F55 HydrophobicContact CG2-CD2 3.98Å; V21-F55 HydrophobicContact CG2-CE1 4.41Å; V21-F55 HydrophobicContact CG2-CE2 3.94Å; V21-F55 HydrophobicContact CG2-CG 4.26Å; V21-F55 HydrophobicContact CG2-CZ 4.18Å; V21-I86 HydrophobicContact CG2-CG2 4.06Å; V21-R90 HydrophobicContact CG1-CB 3.87Å; V21-R90 HydrophobicContact CG1-CG 4.17Å; V21-I94 HydrophobicContact CG1-CD1 4.07Å; V21-I94 HydrophobicContact CG1-CG1 3.74Å; V21-I94 HydrophobicContact CG2-CD1 3.96Å; V21-I94 HydrophobicContact CG2-CG1 4.44Å
22D92.8Very high90.6Very high27 Ų2749.4 Ų49.414%0.14426%0.262CS..Hα-helixtrans-57.4-45.2174-73.9-28.7000110.9H18 R19 L24 C25 G26 R27 R90H18-D22 VanDerWaalsContact O-CG 3.28Å; H18-D22 PolarHBondContact O-N 3.11Å; R19-D22 PolarHBondContact O-N 3.47Å; D22-L24 PolarHBondContact O-N 3.47Å; D22-C25 CarbonylContact O-C 3.16Å; D22-C25 PolarHBondContact O-N 2.92Å; D22-G26 PolarHBondContact O-N 3.45Å; D22-R27 HydrophobicContact CB-CB 3.98Å; D22-R27 WeakPolarHBondContact O-CA 3.41Å; D22-R27 WeakPolarHBondContact O-CB 3.49Å; D22-R27 PolarHBondContact O-N 3.46Å; D22-R27 IonicContact OD1-NH1 3.12Å; D22-R27 PolarHBondContact OD1-NH1 3.2Å; D22-R27 VanDerWaalsContact OD1-NH1 3.12Å; D22-R90 IonicContact OD1-CZ 2.85Å; D22-R90 IonicContact OD1-NH1 3.98Å; D22-R90 IonicContact OD1-NH2 3.53Å; D22-R90 PolarHBondContact OD1-NH2 3.38Å
23G91.1Very high90.4Very high20 Ų2050 Ų5021%0.20627%0.271CS..Hα-helixtrans-60.2-40.9172.700000114R19 V20 V21 C25 G26R19-G23 PolarHBondContact O-N 3.17Å; V20-G23 PolarHBondContact O-N 3.01Å; V21-G23 VanDerWaalsContact C-N 3.3Å; V21-G23 PolarHBondContact O-N 3.35Å; G23-C25 VanDerWaalsContact C-N 3.3Å; G23-C25 PolarHBondContact O-N 3.28Å; G23-G26 PolarHBondContact O-N 3.23Å
24L88.8Confident90.1Very high8 Ų855 Ų554%0.04230%0.298CS..Hα-helixtrans-60.2-41.3174.2-81.4167.7000112.1V20 V21 D22 G26 T52 F55 R56V20-L24 HydrophobicContact CG1-CD1 4.47Å; V20-L24 PolarHBondContact O-N 2.86Å; V21-L24 WeakPolarHBondContact O-CB 3.47Å; V21-L24 PolarHBondContact O-N 2.79Å; V21-L24 VanDerWaalsContact O-N 3.11Å; D22-L24 PolarHBondContact O-N 3.47Å; L24-G26 PolarHBondContact O-N 2.89Å; L24-T52 HydrophobicContact CD2-CG2 3.57Å; L24-T52 HydrophobicContact CG-CG2 4.12Å; L24-F55 HydrophobicContact CD1-CB 3.63Å; L24-F55 HydrophobicContact CD1-CD2 4.17Å; L24-F55 HydrophobicContact CD1-CG 4.3Å; L24-R56 HydrophobicContact CD2-CG 3.62Å
25C89.7Confident89.8Confident29 Ų2954.1 Ų54.120%0.19629%0.289CS..THydrogen-bonded Turntrans-82.910.5-179.4-61.80000113.7V21 D22 G23 E93 A97V21-C25 WeakPolarHBondContact O-CB 3.36Å; V21-C25 PolarHBondContact O-N 2.79Å; V21-C25 PolarHBondContact O-SG 2.96Å; D22-C25 CarbonylContact O-C 3.16Å; D22-C25 PolarHBondContact O-N 2.92Å; G23-C25 VanDerWaalsContact C-N 3.3Å; G23-C25 PolarHBondContact O-N 3.28Å; C25-E93 HydrophobicContact CB-CG 4.45Å; C25-A97 HydrophobicContact CB-CB 4.24Å
26G84Confident89.2Confident66 Ų6651.7 Ų51.768%0.6829%0.287SS*.THydrogen-bonded Turntrans82.712.5174.600000115.1D22 G23 L24D22-G26 PolarHBondContact O-N 3.45Å; G23-G26 PolarHBondContact O-N 3.23Å; L24-G26 PolarHBondContact O-N 2.89Å
27R89.6Confident88.8Confident138 Ų13857.9 Ų57.952%0.52133%0.325SS..SBendtrans-95.2-173.8171.5-55.8179.9-171.4141.410.9110.6D22 P29 E93D22-R27 HydrophobicContact CB-CB 3.98Å; D22-R27 WeakPolarHBondContact O-CA 3.41Å; D22-R27 WeakPolarHBondContact O-CB 3.49Å; D22-R27 PolarHBondContact O-N 3.46Å; D22-R27 IonicContact OD1-NH1 3.12Å; D22-R27 PolarHBondContact OD1-NH1 3.2Å; D22-R27 VanDerWaalsContact OD1-NH1 3.12Å; R27-P29 WeakPolarHBondContact O-CD 3.42Å; R27-E93 IonicContact CZ-OE1 3.04Å; R27-E93 IonicContact NH1-OE1 2.93Å; R27-E93 PolarHBondContact NH1-OE1 3.05Å; R27-E93 IonicContact NH2-OE1 2.69Å; R27-E93 PolarHBondContact NH2-OE1 3Å
28E87.4Confident88.5Confident135 Ų13560.2 Ų60.263%0.63134%0.339SS*.PPolyproline II helixtrans-65.4119.7-178.1-168.3178.3-147.300111.7R19R19-E28 IonicContact NH1-OE2 2.85Å; R19-E28 PolarHBondContact NH1-OE2 2.79Å
29P89Confident88.3Confident79 Ų7957.7 Ų57.751%0.51333%0.327SS..PPolyproline II helixtrans-72.7171.617832.1-35.8000111.7R27 C31R27-P29 WeakPolarHBondContact O-CD 3.42Å; P29-C31 PolarHBondContact O-N 3.34Å
30P89.3Confident88.1Confident15 Ų1555.2 Ų55.210%0.09733%0.326CS..PPolyproline II helixtrans-58.5131.4177.7-18.530.1000111.7L16 R19 V20 W44 L48L16-P30 HydrophobicContact CD1-CB 3.86Å; L16-P30 HydrophobicContact CD1-CG 3.96Å; R19-P30 HydrophobicContact CB-CB 4Å; R19-P30 HydrophobicContact CB-CG 3.6Å; R19-P30 WeakPolarHBondContact O-CD 3.42Å; V20-P30 HydrophobicContact CB-CG 4.49Å; V20-P30 HydrophobicContact CG2-CG 3.72Å; P30-W44 HydrophobicContact CB-CH2 3.53Å; P30-W44 HydrophobicContact CB-CZ2 3.76Å; P30-L48 HydrophobicContact CB-CD2 4.18Å; P30-L48 HydrophobicContact CG-CD2 3.72Å
31C87.1Confident87.8Confident61 Ų6160.3 Ų60.341%0.41235%0.353SS..PPolyproline II helixtrans-81134.9178.5-167.40000111.1P29 S33 D34 Y35P29-C31 PolarHBondContact O-N 3.34Å; C31-S33 VanDerWaalsContact C-N 3.28Å; C31-S33 PolarHBondContact O-N 3.42Å; C31-S33 PolarHBondContact SG-OG 3.22Å; C31-D34 PolarHBondContact O-N 3.11Å; C31-Y35 WeakPolarHBondContact O-CD2 3.39Å
32R84.4Confident87.6Confident65 Ų6566.7 Ų66.725%0.24538%0.383CS..G310 helixtrans-63.3-32.5179.2175.660.8-169.4124.45.8112.9D34 Y35 S36 W39 W44R32-D34 PolarHBondContact O-N 3.37Å; R32-Y35 PolarHBondContact NH1-O 3.02Å; R32-Y35 PolarHBondContact O-N 2.76Å; R32-S36 VanDerWaalsContact NH1-CA 3.27Å; R32-S36 PolarHBondContact NH2-O 2.97Å; R32-S36 PolarHBondContact O-N 2.86Å; R32-W39 PolarHBondContact NH1-O 2.77Å; R32-W39 PolarHBondContact NH2-O 3.41Å; R32-W44 VanDerWaalsContact CD-CD1 3.46Å
33S85.3Confident87.5Confident70 Ų7067.4 Ų67.449%0.4939%0.385SS..G310 helixtrans-54.9-38.3-178.950.50000112.2C31 Y35 S36C31-S33 VanDerWaalsContact C-N 3.28Å; C31-S33 PolarHBondContact O-N 3.42Å; C31-S33 PolarHBondContact SG-OG 3.22Å; S33-Y35 PolarHBondContact O-N 2.93Å; S33-S36 WeakPolarHBondContact O-CB 3.4Å; S33-S36 PolarHBondContact O-N 3.11Å; S33-S36 PolarHBondContact O-OG 3.36Å
34D84.1Confident87.4Confident105 Ų10566.9 Ų66.956%0.56138%0.377SS*.G310 helixtrans-72.4-18.5-169.7-54.7-10.5000112.2C31 R32C31-D34 PolarHBondContact O-N 3.11Å; R32-D34 PolarHBondContact O-N 3.37Å
35Y85.1Confident87.5Confident28 Ų2871.2 Ų71.211%0.1140%0.4CS..G310 helixtrans-122.310.9-178.3-54.6-84.6000112.6L16 C31 R32 S33 T37 T38 W39 W44L16-Y35 HydrophobicContact CD1-CE1 4.49Å; L16-Y35 HydrophobicContact CD1-CE2 3.99Å; C31-Y35 WeakPolarHBondContact O-CD2 3.39Å; R32-Y35 PolarHBondContact NH1-O 3.02Å; R32-Y35 PolarHBondContact O-N 2.76Å; S33-Y35 PolarHBondContact O-N 2.93Å; Y35-T37 PolarHBondContact O-N 3.42Å; Y35-T37 VanDerWaalsContact O-N 3.14Å; Y35-T38 PolarHBondContact O-N 3.25Å; Y35-T38 VanDerWaalsContact O-N 3.08Å; Y35-W39 HydrophobicContact CD1-CE3 4.15Å; Y35-W39 HydrophobicContact CD1-CH2 4.26Å; Y35-W39 AromaticContact CD1-CZ3 3.49Å; Y35-W39 HydrophobicContact CD1-CZ3 3.49Å; Y35-W39 VanDerWaalsContact CD1-CZ3 3.49Å; Y35-W39 HydrophobicContact CE1-CZ3 4.19Å; Y35-W39 HydrophobicContact CG-CE3 4.14Å; Y35-W39 AromaticContact CG-CZ3 3.8Å; Y35-W39 HydrophobicContact CG-CZ3 3.8Å; Y35-W39 PolarHBondContact O-N 3.39Å; Y35-W44 HydrophobicContact CD1-CZ3 4.32Å; Y35-W44 HydrophobicContact CD2-CE3 4.3Å; Y35-W44 AromaticContact CD2-CH2 3.18Å; Y35-W44 HydrophobicContact CD2-CH2 3.18Å; Y35-W44 HydrophobicContact CD2-CZ2 4.17Å; Y35-W44 AromaticContact CD2-CZ3 3.28Å; Y35-W44 HydrophobicContact CD2-CZ3 3.28Å; Y35-W44 AromaticContact CE2-CH2 3.57Å; Y35-W44 HydrophobicContact CE2-CH2 3.57Å; Y35-W44 AromaticContact CE2-CZ3 3.88Å; Y35-W44 HydrophobicContact CE2-CZ3 3.88Å; Y35-W44 HydrophobicContact CG-CE3 4.29Å; Y35-W44 AromaticContact CG-CH2 3.96Å; Y35-W44 HydrophobicContact CG-CH2 3.96Å; Y35-W44 AromaticContact CG-CZ3 3.54Å; Y35-W44 HydrophobicContact CG-CZ3 3.54Å
36S80.8Confident87.5Confident67 Ų6773.8 Ų73.847%0.46941%0.409SS..THydrogen-bonded Turntrans-57.3-29.5-173.458.20000114.1R32 S33R32-S36 VanDerWaalsContact NH1-CA 3.27Å; R32-S36 PolarHBondContact NH2-O 2.97Å; R32-S36 PolarHBondContact O-N 2.86Å; S33-S36 WeakPolarHBondContact O-CB 3.4Å; S33-S36 PolarHBondContact O-N 3.11Å; S33-S36 PolarHBondContact O-OG 3.36Å
37T85Confident87.9Confident131 Ų13170.7 Ų70.780%0.80438%0.377SS*.THydrogen-bonded Turntrans-85.7-19.3-179.553.60000114.2Y35Y35-T37 PolarHBondContact O-N 3.42Å; Y35-T37 VanDerWaalsContact O-N 3.14Å
38T87.4Confident88Confident48 Ų4865.6 Ų65.629%0.29436%0.36SS..THydrogen-bonded Turntrans-98.4-35.7-169.6-500000112.9R7 I8 Y35R7-T38 HydrophobicContact CB-CG2 4.08Å; I8-T38 HydrophobicContact CG2-CG2 3.8Å; Y35-T38 PolarHBondContact O-N 3.25Å; Y35-T38 VanDerWaalsContact O-N 3.08Å
39W89.6Confident88.2Confident8 Ų864.2 Ų64.23%0.0336%0.357CS..SBendtrans-130.9152.2-176.1-61.7-51.5000111.1I4 I8 L16 R32 Y35 E43 W44 L47I4-W39 HydrophobicContact CG2-CD2 4.21Å; I4-W39 HydrophobicContact CG2-CG 3.98Å; I4-W39 HydrophobicContact CG2-CZ2 4.39Å; I4-W39 VanDerWaalsContact O-CZ2 3.31Å; I4-W39 WeakPolarHBondContact O-CZ2 3.42Å; I4-W39 PolarHBondContact O-NE1 3.18Å; I8-W39 HydrophobicContact CB-CZ2 4.45Å; I8-W39 HydrophobicContact CD1-CH2 3.71Å; I8-W39 HydrophobicContact CD1-CZ2 4.16Å; I8-W39 HydrophobicContact CG1-CH2 4.06Å; I8-W39 HydrophobicContact CG1-CZ2 4.01Å; I8-W39 HydrophobicContact CG2-CH2 3.74Å; I8-W39 HydrophobicContact CG2-CZ2 3.66Å; L16-W39 HydrophobicContact CD2-CH2 3.77Å; L16-W39 HydrophobicContact CD2-CZ3 4.05Å; R32-W39 PolarHBondContact NH1-O 2.77Å; R32-W39 PolarHBondContact NH2-O 3.41Å; Y35-W39 HydrophobicContact CD1-CE3 4.15Å; Y35-W39 HydrophobicContact CD1-CH2 4.26Å; Y35-W39 AromaticContact CD1-CZ3 3.49Å; Y35-W39 HydrophobicContact CD1-CZ3 3.49Å; Y35-W39 VanDerWaalsContact CD1-CZ3 3.49Å; Y35-W39 HydrophobicContact CE1-CZ3 4.19Å; Y35-W39 HydrophobicContact CG-CE3 4.14Å; Y35-W39 AromaticContact CG-CZ3 3.8Å; Y35-W39 HydrophobicContact CG-CZ3 3.8Å; Y35-W39 PolarHBondContact O-N 3.39Å; W39-E43 WeakPolarHBondContact CA-OE2 3.35Å; W39-E43 HydrophobicContact CB-CB 4.07Å; W39-W44 AromaticContact CE3-CE3 3.61Å; W39-W44 HydrophobicContact CE3-CE3 3.61Å; W39-W44 AromaticContact CE3-CZ3 3.95Å; W39-W44 HydrophobicContact CE3-CZ3 3.95Å; W39-W44 AromaticContact CZ3-CE3 3.85Å; W39-W44 HydrophobicContact CZ3-CE3 3.85Å; W39-W44 AromaticContact CZ3-CZ3 3.72Å; W39-W44 HydrophobicContact CZ3-CZ3 3.72Å; W39-L47 HydrophobicContact CD2-CD2 4.28Å; W39-L47 HydrophobicContact CE3-CD2 4.11Å; W39-L47 HydrophobicContact CH2-CD2 3.41Å; W39-L47 VanDerWaalsContact CH2-CD2 3.41Å; W39-L47 HydrophobicContact CZ2-CD2 3.64Å; W39-L47 HydrophobicContact CZ3-CD2 3.7Å
40S90.8Very high88.3Confident55 Ų5562.1 Ų62.139%0.38534%0.34SS..  trans-68.4168.1165.382.60000110.9E42 E43 W44S40-E42 VanDerWaalsContact C-N 3.29Å; S40-E42 PolarHBondContact O-N 3.33Å; S40-E42 PolarHBondContact OG-N 3.38Å; S40-E43 PolarHBondContact N-OE2 3.1Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-N 3.33Å; S40-E43 VanDerWaalsContact OG-N 3.14Å; S40-W44 VanDerWaalsContact O-CB 3.28Å; S40-W44 WeakPolarHBondContact O-CB 3.41Å; S40-W44 PolarHBondContact O-N 2.96Å
41L87.8Confident88.5Confident111 Ų11161.4 Ų61.458%0.58134%0.335SS*.Hα-helixtrans-60.8-40.7175.1177.562.8000111.7W44 L45L41-W44 PolarHBondContact O-N 2.69Å; L41-L45 HydrophobicContact CD1-CD1 4.24Å; L41-L45 HydrophobicContact CD1-CG 4.31Å; L41-L45 HydrophobicContact CG-CD1 4.18Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 3.25Å
42E90.1Very high88.8Confident134 Ų13459.7 Ų59.763%0.62632%0.323SS*.Hα-helixtrans-67.8-46.8-179-175173.8-173.600111.5S40 W44 L45 Q46S40-E42 VanDerWaalsContact C-N 3.29Å; S40-E42 PolarHBondContact O-N 3.33Å; S40-E42 PolarHBondContact OG-N 3.38Å; E42-W44 VanDerWaalsContact C-N 3.28Å; E42-W44 PolarHBondContact O-N 3.12Å; E42-L45 PolarHBondContact O-N 2.87Å; E42-Q46 VanDerWaalsContact O-CG 3.31Å; E42-Q46 WeakPolarHBondContact O-CG 3.4Å; E42-Q46 PolarHBondContact O-N 2.85Å
43E90.3Very high89.2Confident42 Ų4259.1 Ų59.120%0.19633%0.328CS..Hα-helixtrans-59.2-40.9175.7-71.9176.2144.200111.4I4 R7 W39 S40 L47I4-E43 HydrophobicContact CD1-CB 4.06Å; I4-E43 HydrophobicContact CD1-CG 4.04Å; I4-E43 HydrophobicContact CG2-CB 4.26Å; R7-E43 IonicContact CZ-OE1 3.28Å; R7-E43 VanDerWaalsContact CZ-OE1 3.28Å; R7-E43 VanDerWaalsContact NH1-CD 3.26Å; R7-E43 IonicContact NH1-OE1 2.8Å; R7-E43 PolarHBondContact NH1-OE1 3.23Å; R7-E43 IonicContact NH1-OE2 3.05Å; R7-E43 PolarHBondContact NH1-OE2 2.95Å; R7-E43 IonicContact NH2-OE1 2.91Å; R7-E43 PolarHBondContact NH2-OE1 3.4Å; W39-E43 WeakPolarHBondContact CA-OE2 3.35Å; W39-E43 HydrophobicContact CB-CB 4.07Å; S40-E43 PolarHBondContact N-OE2 3.1Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-N 3.33Å; S40-E43 VanDerWaalsContact OG-N 3.14Å; E43-L47 VanDerWaalsContact O-CB 3.26Å; E43-L47 WeakPolarHBondContact O-CB 3.39Å; E43-L47 PolarHBondContact O-N 3.09Å
44W90.4Very high89.6Confident9 Ų956.3 Ų56.33%0.03431%0.308CS..Hα-helixtrans-62.5-47.9176.7171.3-102.8000112.7L16 P30 R32 Y35 W39 S40 L41 E42 L47 L48L16-W44 HydrophobicContact CD1-CH2 3.79Å; L16-W44 HydrophobicContact CD1-CZ3 3.83Å; P30-W44 HydrophobicContact CB-CH2 3.53Å; P30-W44 HydrophobicContact CB-CZ2 3.76Å; R32-W44 VanDerWaalsContact CD-CD1 3.46Å; Y35-W44 HydrophobicContact CD1-CZ3 4.32Å; Y35-W44 HydrophobicContact CD2-CE3 4.3Å; Y35-W44 AromaticContact CD2-CH2 3.18Å; Y35-W44 HydrophobicContact CD2-CH2 3.18Å; Y35-W44 HydrophobicContact CD2-CZ2 4.17Å; Y35-W44 AromaticContact CD2-CZ3 3.28Å; Y35-W44 HydrophobicContact CD2-CZ3 3.28Å; Y35-W44 AromaticContact CE2-CH2 3.57Å; Y35-W44 HydrophobicContact CE2-CH2 3.57Å; Y35-W44 AromaticContact CE2-CZ3 3.88Å; Y35-W44 HydrophobicContact CE2-CZ3 3.88Å; Y35-W44 HydrophobicContact CG-CE3 4.29Å; Y35-W44 AromaticContact CG-CH2 3.96Å; Y35-W44 HydrophobicContact CG-CH2 3.96Å; Y35-W44 AromaticContact CG-CZ3 3.54Å; Y35-W44 HydrophobicContact CG-CZ3 3.54Å; W39-W44 AromaticContact CE3-CE3 3.61Å; W39-W44 HydrophobicContact CE3-CE3 3.61Å; W39-W44 AromaticContact CE3-CZ3 3.95Å; W39-W44 HydrophobicContact CE3-CZ3 3.95Å; W39-W44 AromaticContact CZ3-CE3 3.85Å; W39-W44 HydrophobicContact CZ3-CE3 3.85Å; W39-W44 AromaticContact CZ3-CZ3 3.72Å; W39-W44 HydrophobicContact CZ3-CZ3 3.72Å; S40-W44 VanDerWaalsContact O-CB 3.28Å; S40-W44 WeakPolarHBondContact O-CB 3.41Å; S40-W44 PolarHBondContact O-N 2.96Å; L41-W44 PolarHBondContact O-N 2.69Å; E42-W44 VanDerWaalsContact C-N 3.28Å; E42-W44 PolarHBondContact O-N 3.12Å; W44-L47 PolarHBondContact O-N 2.93Å; W44-L48 HydrophobicContact CD2-CD1 4.16Å; W44-L48 HydrophobicContact CD2-CG 4.2Å; W44-L48 VanDerWaalsContact CE2-CD1 3.41Å; W44-L48 HydrophobicContact CH2-CD1 4.44Å; W44-L48 HydrophobicContact CH2-CD2 4.09Å; W44-L48 HydrophobicContact CH2-CG 4.42Å; W44-L48 HydrophobicContact CZ2-CD1 3.62Å; W44-L48 HydrophobicContact CZ2-CD2 4.06Å; W44-L48 HydrophobicContact CZ2-CG 4.04Å; W44-L48 HydrophobicContact CZ3-CD2 4.46Å; W44-L48 VanDerWaalsContact NE1-CD1 3.29Å; W44-L48 WeakPolarHBondContact O-CG 3.39Å; W44-L48 PolarHBondContact O-N 3.47Å
45L90.1Very high90Very high100 Ų10051.3 Ų51.352%0.52428%0.281SS..Hα-helixtrans-64.2-43.5179.9-71.5172.9000111.4L41 E42 L47 L48 D49L41-L45 HydrophobicContact CD1-CD1 4.24Å; L41-L45 HydrophobicContact CD1-CG 4.31Å; L41-L45 HydrophobicContact CG-CD1 4.18Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 3.25Å; E42-L45 PolarHBondContact O-N 2.87Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.96Å; L45-L48 PolarHBondContact O-N 2.97Å; L45-D49 WeakPolarHBondContact O-CB 3.27Å; L45-D49 PolarHBondContact O-N 2.63Å
46Q90.7Very high90.4Very high83 Ų8354.6 Ų54.639%0.38829%0.294SS..Hα-helixtrans-60.9-43.4175.7-71.1174.61.700111.6M1 E42 D49 F50M1-Q46 HydrophobicContact SD-CB 4.24Å; M1-Q46 VanDerWaalsContact SD-O 3.4Å; E42-Q46 VanDerWaalsContact O-CG 3.31Å; E42-Q46 WeakPolarHBondContact O-CG 3.4Å; E42-Q46 PolarHBondContact O-N 2.85Å; Q46-D49 PolarHBondContact O-N 3.3Å; Q46-F50 WeakPolarHBondContact O-CB 3.38Å; Q46-F50 PolarHBondContact O-N 3.5Å
47L91.1Very high91Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-63.2-46.4179.2-178.964.3000112.2I4 L5 L16 W39 E43 W44 L45 F50 L51I4-L47 HydrophobicContact CG2-CB 4.41Å; I4-L47 HydrophobicContact CG2-CD2 4.22Å; L5-L47 HydrophobicContact CD1-CD1 3.47Å; L5-L47 VanDerWaalsContact CD1-CD1 3.47Å; L5-L47 HydrophobicContact CG-CD1 3.72Å; L16-L47 HydrophobicContact CD2-CD2 3.84Å; W39-L47 HydrophobicContact CD2-CD2 4.28Å; W39-L47 HydrophobicContact CE3-CD2 4.11Å; W39-L47 HydrophobicContact CH2-CD2 3.41Å; W39-L47 VanDerWaalsContact CH2-CD2 3.41Å; W39-L47 HydrophobicContact CZ2-CD2 3.64Å; W39-L47 HydrophobicContact CZ3-CD2 3.7Å; E43-L47 VanDerWaalsContact O-CB 3.26Å; E43-L47 WeakPolarHBondContact O-CB 3.39Å; E43-L47 PolarHBondContact O-N 3.09Å; W44-L47 PolarHBondContact O-N 2.93Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.96Å; L47-F50 PolarHBondContact O-N 3.14Å; L47-L51 HydrophobicContact CD1-CD1 4.21Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.2Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.31Å
48L91.6Very high91.3Very high32 Ų3248.6 Ų48.617%0.16825%0.251CS..Hα-helixtrans-62.9-45.3177.5-74.6-175.9000111.6L16 V20 P30 W44 L45 F50 L51 T52L16-L48 HydrophobicContact CD1-CD2 4.42Å; V20-L48 HydrophobicContact CG2-CD2 3.73Å; P30-L48 HydrophobicContact CB-CD2 4.18Å; P30-L48 HydrophobicContact CG-CD2 3.72Å; W44-L48 HydrophobicContact CD2-CD1 4.16Å; W44-L48 HydrophobicContact CD2-CG 4.2Å; W44-L48 VanDerWaalsContact CE2-CD1 3.41Å; W44-L48 HydrophobicContact CH2-CD1 4.44Å; W44-L48 HydrophobicContact CH2-CD2 4.09Å; W44-L48 HydrophobicContact CH2-CG 4.42Å; W44-L48 HydrophobicContact CZ2-CD1 3.62Å; W44-L48 HydrophobicContact CZ2-CD2 4.06Å; W44-L48 HydrophobicContact CZ2-CG 4.04Å; W44-L48 HydrophobicContact CZ3-CD2 4.46Å; W44-L48 VanDerWaalsContact NE1-CD1 3.29Å; W44-L48 WeakPolarHBondContact O-CG 3.39Å; W44-L48 PolarHBondContact O-N 3.47Å; L45-L48 PolarHBondContact O-N 2.97Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 3.38Å; L48-L51 PolarHBondContact O-N 2.85Å; L48-T52 WeakPolarHBondContact O-CB 3.48Å; L48-T52 PolarHBondContact O-N 2.75Å; L48-T52 PolarHBondContact O-OG1 3.47Å
49D91.8Very high91.6Very high106 Ų10646.7 Ų46.757%0.56724%0.239SC*.Hα-helixtrans-61.2-42.1179.4-17359.1000111.3L45 Q46 S53L45-D49 WeakPolarHBondContact O-CB 3.27Å; L45-D49 PolarHBondContact O-N 2.63Å; Q46-D49 PolarHBondContact O-N 3.3Å; D49-S53 WeakPolarHBondContact O-CB 3.32Å; D49-S53 PolarHBondContact O-N 2.91Å; D49-S53 PolarHBondContact O-OG 3.23Å
50F92.1Very high91.5Very high35 Ų3548.8 Ų48.815%0.15426%0.263CS..Hα-helixtrans-62.3-54.3175.6174.5-110.4000113.7M1 M2 Q46 L47 L48 T52 S53 L54 L72M1-F50 HydrophobicContact CE-CB 3.36Å; M1-F50 HydrophobicContact CE-CD1 4.24Å; M1-F50 HydrophobicContact CE-CD2 3.13Å; M1-F50 HydrophobicContact CE-CE2 3.97Å; M1-F50 HydrophobicContact CE-CG 3.29Å; M1-F50 HydrophobicContact SD-CB 3.37Å; M1-F50 WeakPolarHBondContact SD-CB 3.33Å; M1-F50 HydrophobicContact SD-CD2 4.28Å; M1-F50 HydrophobicContact SD-CG 3.82Å; M2-F50 HydrophobicContact CE-CE1 3.48Å; M2-F50 VanDerWaalsContact CE-CE1 3.48Å; M2-F50 HydrophobicContact CE-CE2 4.32Å; M2-F50 HydrophobicContact CE-CZ 3.28Å; M2-F50 HydrophobicContact SD-CE1 4.27Å; Q46-F50 WeakPolarHBondContact O-CB 3.38Å; Q46-F50 PolarHBondContact O-N 3.5Å; L47-F50 PolarHBondContact O-N 3.14Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 3.38Å; F50-T52 VanDerWaalsContact C-N 3.28Å; F50-T52 PolarHBondContact O-N 3.06Å; F50-S53 PolarHBondContact O-N 3.27Å; F50-L54 HydrophobicContact CE1-CD2 4.41Å; F50-L54 HydrophobicContact CZ-CD2 4.31Å; F50-L54 VanDerWaalsContact O-CB 3.31Å; F50-L54 WeakPolarHBondContact O-CB 3.26Å; F50-L54 PolarHBondContact O-N 2.79Å; F50-L72 HydrophobicContact CE1-CD2 4.23Å; F50-L72 HydrophobicContact CZ-CD2 4.15Å
51L92.9Very high91.4Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-61.3-42.3-179.1-73174000110.7L5 L16 V20 L47 L48 L54 F55 V83L5-L51 HydrophobicContact CD1-CD2 4.17Å; L16-L51 HydrophobicContact CD2-CD1 4.18Å; L16-L51 HydrophobicContact CG-CD1 4.38Å; V20-L51 HydrophobicContact CG1-CB 4.06Å; V20-L51 HydrophobicContact CG2-CB 4.35Å; V20-L51 HydrophobicContact CG2-CD1 4.2Å; L47-L51 HydrophobicContact CD1-CD1 4.21Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.2Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.31Å; L48-L51 PolarHBondContact O-N 2.85Å; L51-L54 PolarHBondContact O-N 3.2Å; L51-F55 HydrophobicContact CB-CE2 4.37Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å; L51-F55 WeakPolarHBondContact O-CG 3.43Å; L51-F55 PolarHBondContact O-N 3.43Å; L51-V83 HydrophobicContact CD2-CG2 4.34Å
52T93.4Very high91.4Very high25 Ų2551.6 Ų51.615%0.15328%0.275CS..Hα-helixtrans-59.7-48.7176-59.20000110.9L24 L48 F50 R56L24-T52 HydrophobicContact CD2-CG2 3.57Å; L24-T52 HydrophobicContact CG-CG2 4.12Å; L48-T52 WeakPolarHBondContact O-CB 3.48Å; L48-T52 PolarHBondContact O-N 2.75Å; L48-T52 PolarHBondContact O-OG1 3.47Å; F50-T52 VanDerWaalsContact C-N 3.28Å; F50-T52 PolarHBondContact O-N 3.06Å; T52-R56 VanDerWaalsContact CG2-CZ 3.5Å; T52-R56 WeakPolarHBondContact O-CB 3.37Å; T52-R56 VanDerWaalsContact O-CG 3.26Å; T52-R56 WeakPolarHBondContact O-CG 3.37Å; T52-R56 PolarHBondContact O-N 3.35Å
53S92.8Very high91.4Very high52 Ų5246 Ų4636%0.36425%0.249SC..Hα-helixtrans-65.6-39.3179.7-66.40000112.2D49 F50 R56 L57D49-S53 WeakPolarHBondContact O-CB 3.32Å; D49-S53 PolarHBondContact O-N 2.91Å; D49-S53 PolarHBondContact O-OG 3.23Å; F50-S53 PolarHBondContact O-N 3.27Å; S53-R56 PolarHBondContact O-N 2.98Å; S53-L57 WeakPolarHBondContact O-CB 3.27Å; S53-L57 PolarHBondContact O-N 3.5Å
54L92.8Very high91.3Very high11 Ų1147.3 Ų47.36%0.05826%0.261CS..Hα-helixtrans-61.2-52.6176.3-177.469.6000111.2F50 L51 R56 L57 A58 V68 K71 L72 V83F50-L54 HydrophobicContact CE1-CD2 4.41Å; F50-L54 HydrophobicContact CZ-CD2 4.31Å; F50-L54 VanDerWaalsContact O-CB 3.31Å; F50-L54 WeakPolarHBondContact O-CB 3.26Å; F50-L54 PolarHBondContact O-N 2.79Å; L51-L54 PolarHBondContact O-N 3.2Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.45Å; L54-L57 PolarHBondContact O-N 2.99Å; L54-A58 VanDerWaalsContact O-CB 3.25Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.08Å; L54-V68 HydrophobicContact CD1-CG1 4.42Å; L54-K71 HydrophobicContact CD1-CB 4.17Å; L54-K71 HydrophobicContact CD1-CD 4.07Å; L54-L72 HydrophobicContact CD2-CD1 4.49Å; L54-L72 HydrophobicContact CD2-CD2 3.71Å; L54-L72 HydrophobicContact CD2-CG 4.33Å; L54-V83 HydrophobicContact CD2-CG1 3.94Å
55F94.4Very high91.2Very high1 Ų148.9 Ų48.90%0.00427%0.27CS..Hα-helixtrans-61.5-40.3178.5-71.7-54.2000111.9C17 V20 V21 L24 L51 V59 V83 I86 L87 I94C17-F55 HydrophobicContact CB-CE2 4.4Å; C17-F55 HydrophobicContact CB-CZ 4.03Å; V20-F55 HydrophobicContact CB-CE2 4.42Å; V20-F55 HydrophobicContact CG1-CD2 3.95Å; V20-F55 HydrophobicContact CG1-CE2 4.09Å; V21-F55 HydrophobicContact CG2-CD1 4.44Å; V21-F55 HydrophobicContact CG2-CD2 3.98Å; V21-F55 HydrophobicContact CG2-CE1 4.41Å; V21-F55 HydrophobicContact CG2-CE2 3.94Å; V21-F55 HydrophobicContact CG2-CG 4.26Å; V21-F55 HydrophobicContact CG2-CZ 4.18Å; L24-F55 HydrophobicContact CD1-CB 3.63Å; L24-F55 HydrophobicContact CD1-CD2 4.17Å; L24-F55 HydrophobicContact CD1-CG 4.3Å; L51-F55 HydrophobicContact CB-CE2 4.37Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å; L51-F55 WeakPolarHBondContact O-CG 3.43Å; L51-F55 PolarHBondContact O-N 3.43Å; F55-V59 WeakPolarHBondContact O-CB 3.29Å; F55-V59 VanDerWaalsContact O-CG2 3.3Å; F55-V59 WeakPolarHBondContact O-CG2 3.41Å; F55-V59 PolarHBondContact O-N 3.49Å; F55-V59 VanDerWaalsContact O-N 3.16Å; F55-V83 HydrophobicContact CE1-CG1 4.2Å; F55-V83 HydrophobicContact CZ-CG1 4.14Å; F55-I86 HydrophobicContact CZ-CG2 4.37Å; F55-L87 HydrophobicContact CD1-CB 4.11Å; F55-L87 HydrophobicContact CD1-CD1 3.82Å; F55-L87 HydrophobicContact CE1-CB 3.91Å; F55-L87 HydrophobicContact CE1-CD1 4.48Å; F55-I94 HydrophobicContact CB-CD1 4.36Å; F55-I94 HydrophobicContact CD1-CD1 4.33Å
56R93.1Very high91.1Very high97 Ų9750.9 Ų50.937%0.36628%0.276SS..Hα-helixtrans-63.1-47.9175.8-74.4-176.5-177.9152.15.7112.4L24 T52 S53 L54 G60 L98L24-R56 HydrophobicContact CD2-CG 3.62Å; T52-R56 VanDerWaalsContact CG2-CZ 3.5Å; T52-R56 WeakPolarHBondContact O-CB 3.37Å; T52-R56 VanDerWaalsContact O-CG 3.26Å; T52-R56 WeakPolarHBondContact O-CG 3.37Å; T52-R56 PolarHBondContact O-N 3.35Å; S53-R56 PolarHBondContact O-N 2.98Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.45Å; R56-G60 WeakPolarHBondContact O-CA 3.4Å; R56-G60 PolarHBondContact O-N 2.96Å; R56-L98 HydrophobicContact CG-CD2 3.99Å
57L91.9Very high90.9Very high70 Ų7051.2 Ų51.237%0.36628%0.278SS..Hα-helixtrans-66.8-45-177.1-169.395.9000110.8S53 L54 N61 I63 K71S53-L57 WeakPolarHBondContact O-CB 3.27Å; S53-L57 PolarHBondContact O-N 3.5Å; L54-L57 PolarHBondContact O-N 2.99Å; L57-N61 WeakPolarHBondContact O-CB 3.16Å; L57-N61 PolarHBondContact O-N 3.01Å; L57-I63 HydrophobicContact CD2-CD1 3.43Å; L57-I63 VanDerWaalsContact CD2-CD1 3.43Å; L57-I63 HydrophobicContact CG-CD1 3.67Å; L57-K71 HydrophobicContact CD2-CD 4.31Å
58A92.5Very high90.7Very high1 Ų151.3 Ų51.31%0.00828%0.279CS..Hα-helixtrans-60.9-50.1-179.100000111.5L54 D62 I63 V68 L87 W91L54-A58 VanDerWaalsContact O-CB 3.25Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.08Å; A58-D62 PolarHBondContact O-N 3.33Å; A58-I63 PolarHBondContact O-N 2.85Å; A58-V68 HydrophobicContact CB-CG2 3.92Å; A58-L87 HydrophobicContact CB-CD1 3.89Å; A58-L87 HydrophobicContact CB-CD2 3.81Å; A58-W91 VanDerWaalsContact O-CH2 3.25Å; A58-W91 WeakPolarHBondContact O-CH2 3.38Å
59V92.8Very high90.4Very high8 Ų852.5 Ų52.55%0.04829%0.285CS..Hα-helixtrans-75.3-37.6-179.3-177.30000112.4F55 L87 W91 I94 R95 L98F55-V59 WeakPolarHBondContact O-CB 3.29Å; F55-V59 VanDerWaalsContact O-CG2 3.3Å; F55-V59 WeakPolarHBondContact O-CG2 3.41Å; F55-V59 PolarHBondContact O-N 3.49Å; F55-V59 VanDerWaalsContact O-N 3.16Å; V59-L87 HydrophobicContact CG2-CD1 3.54Å; V59-W91 HydrophobicContact CB-CE3 4.39Å; V59-W91 HydrophobicContact CB-CH2 4.38Å; V59-W91 HydrophobicContact CB-CZ3 4.29Å; V59-W91 HydrophobicContact CG1-CD2 4.26Å; V59-W91 HydrophobicContact CG1-CZ2 4.31Å; V59-W91 HydrophobicContact CG2-CD2 4.06Å; V59-W91 HydrophobicContact CG2-CE3 3.61Å; V59-W91 HydrophobicContact CG2-CH2 4.37Å; V59-W91 HydrophobicContact CG2-CZ3 3.79Å; V59-I94 HydrophobicContact CB-CB 4.39Å; V59-I94 HydrophobicContact CB-CG2 3.8Å; V59-I94 HydrophobicContact CG1-CB 4.21Å; V59-I94 HydrophobicContact CG1-CG2 3.97Å; V59-I94 HydrophobicContact CG2-CB 3.93Å; V59-I94 HydrophobicContact CG2-CD1 4.09Å; V59-I94 HydrophobicContact CG2-CG2 3.65Å; V59-R95 HydrophobicContact CG1-CB 3.71Å; V59-R95 HydrophobicContact CG1-CG 4.42Å; V59-L98 HydrophobicContact CB-CD1 4.21Å; V59-L98 HydrophobicContact CG1-CD1 4.25Å
60G88.3Confident90.1Very high52 Ų5250.3 Ų50.354%0.53628%0.282SS..Hα-helixtrans-69.3-34.3-17700000113.7R56R56-G60 WeakPolarHBondContact O-CA 3.4Å; R56-G60 PolarHBondContact O-N 2.96Å
61N88.6Confident89.7Confident111 Ų11152.9 Ų52.959%0.59429%0.293SS*.THydrogen-bonded Turntrans-107.16.4-177.8-62.8-28.5000113.7L57 I63L57-N61 WeakPolarHBondContact O-CB 3.16Å; L57-N61 PolarHBondContact O-N 3.01Å; N61-I63 VanDerWaalsContact C-N 3.29Å; N61-I63 HydrophobicContact CB-CD1 4.19Å; N61-I63 HydrophobicContact CB-CG1 3.79Å; N61-I63 PolarHBondContact O-N 3.22Å
62D87.9Confident89.3Confident115 Ų11553 Ų5362%0.61529%0.294SS*.THydrogen-bonded Turntrans53.944.8-178.4-149.819.9000112.6A58 W91A58-D62 PolarHBondContact O-N 3.33Å; D62-W91 WeakPolarHBondContact OD1-CZ2 3.43Å
63I89.3Confident88.3Confident17 Ų1756 Ų569%0.08732%0.315CS..  trans-72.2133.9-174.2-59.3-176.1000109.8L57 A58 N61 E67 V68L57-I63 HydrophobicContact CD2-CD1 3.43Å; L57-I63 VanDerWaalsContact CD2-CD1 3.43Å; L57-I63 HydrophobicContact CG-CD1 3.67Å; A58-I63 PolarHBondContact O-N 2.85Å; N61-I63 VanDerWaalsContact C-N 3.29Å; N61-I63 HydrophobicContact CB-CD1 4.19Å; N61-I63 HydrophobicContact CB-CG1 3.79Å; N61-I63 PolarHBondContact O-N 3.22Å; I63-E67 HydrophobicContact CG2-CB 3.64Å; I63-E67 HydrophobicContact CG2-CG 3.8Å; I63-V68 HydrophobicContact CB-CG2 4.37Å; I63-V68 HydrophobicContact CG2-CG2 3.99Å
64P88.5Confident87.2Confident68 Ų6860 Ų6044%0.44233%0.333SS..  trans-66.6151.2178.128.2-35.3000112.4E66 E67 V68P64-E66 PolarHBondContact O-N 2.98Å; P64-E67 HydrophobicContact CG-CB 4.05Å; P64-E67 PolarHBondContact O-N 3.41Å; P64-V68 PolarHBondContact O-N 3.32Å; P64-V68 VanDerWaalsContact O-N 3.11Å
65D88.1Confident85.9Confident42 Ų4260.7 Ų60.723%0.22534%0.339CS..Hα-helixtrans-56.2-35.9-176.7-76.2-23000112.7E67 V68 L69 L84 R88D65-E67 VanDerWaalsContact C-N 3.32Å; D65-E67 PolarHBondContact O-N 3.22Å; D65-V68 PolarHBondContact O-N 2.9Å; D65-L69 WeakPolarHBondContact O-CB 3.39Å; D65-L69 WeakPolarHBondContact O-CG 3.34Å; D65-L69 PolarHBondContact O-N 2.8Å; D65-L84 HydrophobicContact CB-CD1 4.01Å; D65-R88 IonicContact OD1-NE 3.76Å; D65-R88 IonicContact OD2-CZ 3.07Å; D65-R88 IonicContact OD2-NE 2.63Å; D65-R88 PolarHBondContact OD2-NE 3.35Å; D65-R88 IonicContact OD2-NH2 2.96Å; D65-R88 PolarHBondContact OD2-NH2 3.47Å
66E87.6Confident85.1Confident142 Ų14265.4 Ų65.466%0.66437%0.365SS*.Hα-helixtrans-63.7-37.5178.2-62.778.3-170.200112.2P64 L69 A70P64-E66 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 3.25Å; E66-A70 WeakPolarHBondContact O-CB 3.3Å; E66-A70 PolarHBondContact O-N 3.24Å
67E86.9Confident84.6Confident90 Ų9067.9 Ų67.942%0.42138%0.38SS..Hα-helixtrans-76.5-33.5177.9-174.6-178.4164.300111.1I63 P64 D65 A70 K71I63-E67 HydrophobicContact CG2-CB 3.64Å; I63-E67 HydrophobicContact CG2-CG 3.8Å; P64-E67 HydrophobicContact CG-CB 4.05Å; P64-E67 PolarHBondContact O-N 3.41Å; D65-E67 VanDerWaalsContact C-N 3.32Å; D65-E67 PolarHBondContact O-N 3.22Å; E67-A70 PolarHBondContact O-N 3.09Å; E67-K71 WeakPolarHBondContact O-CG 3.2Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-K71 IonicContact OE1-NZ 3.82Å
68V87.6Confident84.3Confident2 Ų267.6 Ų67.61%0.01238%0.384CS..Hα-helixtrans-61.9-46.3169.9178.50000110.1L54 A58 I63 P64 D65 A70 K71 L72 L87L54-V68 HydrophobicContact CD1-CG1 4.42Å; A58-V68 HydrophobicContact CB-CG2 3.92Å; I63-V68 HydrophobicContact CB-CG2 4.37Å; I63-V68 HydrophobicContact CG2-CG2 3.99Å; P64-V68 PolarHBondContact O-N 3.32Å; P64-V68 VanDerWaalsContact O-N 3.11Å; D65-V68 PolarHBondContact O-N 2.9Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 2.94Å; V68-K71 WeakPolarHBondContact O-CB 3.42Å; V68-K71 PolarHBondContact O-N 2.89Å; V68-K71 VanDerWaalsContact O-N 3.12Å; V68-L72 HydrophobicContact CG1-CD1 4.28Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 2.65Å; V68-L87 HydrophobicContact CG1-CD2 4.04Å; V68-L87 HydrophobicContact CG2-CD2 4.1Å
69L85.5Confident84.1Confident58 Ų5868.2 Ų68.230%0.30439%0.387SS..Hα-helixtrans-62.4-36.4175.1-73.2173000112.3D65 E66 K71 L72 S73 A80 L84D65-L69 WeakPolarHBondContact O-CB 3.39Å; D65-L69 WeakPolarHBondContact O-CG 3.34Å; D65-L69 PolarHBondContact O-N 2.8Å; E66-L69 PolarHBondContact O-N 3.25Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3Å; L69-L72 CarbonylContact O-C 3.54Å; L69-L72 VanDerWaalsContact O-CA 3.29Å; L69-L72 WeakPolarHBondContact O-CA 3.38Å; L69-L72 WeakPolarHBondContact O-CB 3.48Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-N 3.46Å; L69-A80 HydrophobicContact CD2-CB 3.97Å; L69-L84 HydrophobicContact CD1-CD1 4Å; L69-L84 HydrophobicContact CD2-CD1 3.62Å; L69-L84 HydrophobicContact CG-CD1 3.46Å; L69-L84 VanDerWaalsContact CG-CD1 3.46Å
70A86Confident84Confident60 Ų6068.1 Ų68.150%0.49639%0.387SS..Hα-helixtrans-63.8-34.9174.100000112.2E66 E67 V68 L72 S73E66-A70 WeakPolarHBondContact O-CB 3.3Å; E66-A70 PolarHBondContact O-N 3.24Å; E67-A70 PolarHBondContact O-N 3.09Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 2.94Å; A70-L72 PolarHBondContact O-N 3.26Å; A70-S73 VanDerWaalsContact O-CB 3.28Å; A70-S73 WeakPolarHBondContact O-CB 3.2Å; A70-S73 PolarHBondContact O-N 3.39Å; A70-S73 PolarHBondContact O-OG 2.85Å; A70-S73 VanDerWaalsContact O-OG 3.12Å
71K83.6Confident84Confident89 Ų8969.2 Ų69.239%0.38738%0.378SS..Hα-helixtrans-71-15.5171-65.9178.8-166.5-66.10112.9M2 L54 L57 E67 V68 L69M2-K71 WeakPolarHBondContact CE-O 3.37Å; L54-K71 HydrophobicContact CD1-CB 4.17Å; L54-K71 HydrophobicContact CD1-CD 4.07Å; L57-K71 HydrophobicContact CD2-CD 4.31Å; E67-K71 WeakPolarHBondContact O-CG 3.2Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-K71 IonicContact OE1-NZ 3.82Å; V68-K71 WeakPolarHBondContact O-CB 3.42Å; V68-K71 PolarHBondContact O-N 2.89Å; V68-K71 VanDerWaalsContact O-N 3.12Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3Å
72L83.2Confident84.1Confident3 Ų364.4 Ų64.42%0.01635%0.354CS..THydrogen-bonded Turntrans-103.210.7174.8-58.8174.5000112.4M2 F50 L54 V68 L69 A70 D74 A75 A80 V83M2-L72 HydrophobicContact CE-CD2 3.59Å; M2-L72 HydrophobicContact SD-CD2 4.29Å; F50-L72 HydrophobicContact CE1-CD2 4.23Å; F50-L72 HydrophobicContact CZ-CD2 4.15Å; L54-L72 HydrophobicContact CD2-CD1 4.49Å; L54-L72 HydrophobicContact CD2-CD2 3.71Å; L54-L72 HydrophobicContact CD2-CG 4.33Å; V68-L72 HydrophobicContact CG1-CD1 4.28Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 2.65Å; L69-L72 CarbonylContact O-C 3.54Å; L69-L72 VanDerWaalsContact O-CA 3.29Å; L69-L72 WeakPolarHBondContact O-CA 3.38Å; L69-L72 WeakPolarHBondContact O-CB 3.48Å; L69-L72 PolarHBondContact O-N 3.43Å; A70-L72 PolarHBondContact O-N 3.26Å; L72-D74 PolarHBondContact O-N 2.81Å; L72-A75 WeakPolarHBondContact O-CB 3.25Å; L72-A75 PolarHBondContact O-N 3.22Å; L72-A80 HydrophobicContact CB-CB 4.11Å; L72-A80 HydrophobicContact CD1-CB 4.27Å; L72-V83 HydrophobicContact CD1-CB 4.1Å; L72-V83 HydrophobicContact CD1-CG1 4.03Å
73S72.8Confident84.3Confident86 Ų8659 Ų5960%0.60133%0.325SS*.THydrogen-bonded Turntrans-60.5-22.8-167.560.80000115.1L69 A70 A75L69-S73 PolarHBondContact O-N 3.46Å; A70-S73 VanDerWaalsContact O-CB 3.28Å; A70-S73 WeakPolarHBondContact O-CB 3.2Å; A70-S73 PolarHBondContact O-N 3.39Å; A70-S73 PolarHBondContact O-OG 2.85Å; A70-S73 VanDerWaalsContact O-OG 3.12Å; S73-A75 VanDerWaalsContact C-N 3.28Å
74D70.7Confident84.5Confident138 Ų13858.2 Ų58.274%0.73832%0.321SS*.THydrogen-bonded Turntrans-87.56.3178.5-60-17.9000112.7M2 L72M2-D74 HydrophobicContact CB-CB 4.06Å; M2-D74 WeakPolarHBondContact CB-O 3.25Å; M2-D74 HydrophobicContact CG-CB 3.85Å; L72-D74 PolarHBondContact O-N 2.81Å
75A64.7Low84.7Confident24 Ų2458 Ų5820%0.19832%0.321CS..SBendtrans-97.8152.3179.800000112.7M2 L72 S73 H77 A80M2-A75 HydrophobicContact CB-CB 4.34Å; M2-A75 HydrophobicContact CG-CB 4.23Å; M2-A75 HydrophobicContact SD-CB 4.07Å; L72-A75 WeakPolarHBondContact O-CB 3.25Å; L72-A75 PolarHBondContact O-N 3.22Å; S73-A75 VanDerWaalsContact C-N 3.28Å; A75-H77 PolarHBondContact O-N 3.25Å; A75-A80 HydrophobicContact CB-CB 4.35Å
76D78.3Confident85.1Confident100 Ų10056.2 Ų56.254%0.53531%0.311SS..  trans-58.8138.3164.3-71.3-29.9000109.6S78 H79 A80D76-S78 PolarHBondContact O-N 3.34Å; D76-H79 PolarHBondContact O-N 3.47Å; D76-A80 PolarHBondContact O-N 3.32Å; D76-A80 VanDerWaalsContact O-N 3.15Å
77H81.8Confident85.3Confident150 Ų15049.6 Ų49.669%0.69428%0.28SS*.Hα-helixtrans-52.7-32.3-175.3-17354.9000112.6A75 E81A75-H77 PolarHBondContact O-N 3.25Å; H77-E81 WeakPolarHBondContact O-CB 3.4Å; H77-E81 PolarHBondContact O-N 3.37Å
78S86.1Confident85.6Confident64 Ų6451.6 Ų51.645%0.44828%0.284SS..Hα-helixtrans-64.5-39.417650.80000114.3D76 A82D76-S78 PolarHBondContact O-N 3.34Å; S78-A82 WeakPolarHBondContact O-CB 3.26Å; S78-A82 PolarHBondContact O-N 3.44Å; S78-A82 VanDerWaalsContact O-N 3.11Å
79H88.5Confident86Confident14 Ų1455.1 Ų55.17%0.06531%0.313CS..Hα-helixtrans-80.6-36.7-178.3-65.872.2000110.9L5 I8 D76 A82 V83L5-H79 PolarHBondContact O-CD2 3.21Å; L5-H79 PolarHBondContact O-NE2 3.34Å; I8-H79 PolarHBondContact O-NE2 3.37Å; D76-H79 PolarHBondContact O-N 3.47Å; H79-A82 PolarHBondContact O-N 3.07Å; H79-V83 WeakPolarHBondContact O-CG2 3.46Å; H79-V83 PolarHBondContact O-N 3.27Å
80A89.3Confident86.5Confident6 Ų654.1 Ų54.15%0.0531%0.306CS..Hα-helixtrans-59.8-47.2173.100000111.1L69 L72 A75 D76 A82 V83 L84L69-A80 HydrophobicContact CD2-CB 3.97Å; L72-A80 HydrophobicContact CB-CB 4.11Å; L72-A80 HydrophobicContact CD1-CB 4.27Å; A75-A80 HydrophobicContact CB-CB 4.35Å; D76-A80 PolarHBondContact O-N 3.32Å; D76-A80 VanDerWaalsContact O-N 3.15Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 3.1Å; A80-V83 PolarHBondContact O-N 3.39Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 3.49Å
81E89.1Confident86.8Confident74 Ų7453.2 Ų53.235%0.34629%0.289SS..Hα-helixtrans-65.8-36.4177.4-168.260.8-153.200112.1H77 L84 S85 R88H77-E81 WeakPolarHBondContact O-CB 3.4Å; H77-E81 PolarHBondContact O-N 3.37Å; E81-L84 PolarHBondContact O-N 3.33Å; E81-S85 WeakPolarHBondContact O-CB 3.35Å; E81-S85 PolarHBondContact O-N 2.97Å; E81-R88 IonicContact OE1-NH1 3.67Å
82A91.3Very high87.2Confident10 Ų1054.2 Ų54.28%0.08330%0.296CS..Hα-helixtrans-60.6-47.2174.800000112.2V14 S78 H79 A80 L84 I86V14-A82 HydrophobicContact CG2-CB 3.73Å; S78-A82 WeakPolarHBondContact O-CB 3.26Å; S78-A82 PolarHBondContact O-N 3.44Å; S78-A82 VanDerWaalsContact O-N 3.11Å; H79-A82 PolarHBondContact O-N 3.07Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 3.1Å; A82-L84 VanDerWaalsContact C-N 3.35Å; A82-I86 WeakPolarHBondContact O-CG1 3.36Å; A82-I86 PolarHBondContact O-N 2.83Å
83V92.1Very high87.6Confident3 Ų355.7 Ų55.72%0.01830%0.302CS..Hα-helixtrans-62-45.4177.5173.30000110.5L51 L54 F55 L72 H79 A80 I86 L87L51-V83 HydrophobicContact CD2-CG2 4.34Å; L54-V83 HydrophobicContact CD2-CG1 3.94Å; F55-V83 HydrophobicContact CE1-CG1 4.2Å; F55-V83 HydrophobicContact CZ-CG1 4.14Å; L72-V83 HydrophobicContact CD1-CB 4.1Å; L72-V83 HydrophobicContact CD1-CG1 4.03Å; H79-V83 WeakPolarHBondContact O-CG2 3.46Å; H79-V83 PolarHBondContact O-N 3.27Å; A80-V83 PolarHBondContact O-N 3.39Å; V83-I86 PolarHBondContact O-N 3.4Å; V83-L87 PolarHBondContact O-N 2.9Å
84L92.3Very high88.6Confident0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-68.9-38.6-176.8-163146.9000112.3D65 L69 A80 E81 A82 I86 L87 R88D65-L84 HydrophobicContact CB-CD1 4.01Å; L69-L84 HydrophobicContact CD1-CD1 4Å; L69-L84 HydrophobicContact CD2-CD1 3.62Å; L69-L84 HydrophobicContact CG-CD1 3.46Å; L69-L84 VanDerWaalsContact CG-CD1 3.46Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 3.49Å; E81-L84 PolarHBondContact O-N 3.33Å; A82-L84 VanDerWaalsContact C-N 3.35Å; L84-I86 VanDerWaalsContact C-N 3.28Å; L84-I86 PolarHBondContact O-N 3.28Å; L84-L87 WeakPolarHBondContact O-CB 3.43Å; L84-L87 PolarHBondContact O-N 2.98Å; L84-R88 HydrophobicContact CD2-CG 4.03Å; L84-R88 VanDerWaalsContact CD2-NH1 3.33Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 2.71Å
85S93.7Very high89.7Confident62 Ų6250.4 Ų50.443%0.43426%0.259SS..Hα-helixtrans-55.8-43.7172.1-177.80000111.6E81 A89E81-S85 WeakPolarHBondContact O-CB 3.35Å; E81-S85 PolarHBondContact O-N 2.97Å; S85-A89 VanDerWaalsContact O-CB 3.29Å; S85-A89 WeakPolarHBondContact O-CB 3.47Å; S85-A89 PolarHBondContact O-N 3Å
86I95.4Very high90.9Very high6 Ų656.4 Ų56.43%0.03128%0.276CS..Hα-helixtrans-69.9-41.5177.5-62.4-41.1000112.3V14 C17 H18 V21 F55 A82 V83 L84 R88 A89 R90V14-I86 HydrophobicContact CG1-CD1 4.08Å; V14-I86 HydrophobicContact CG1-CG1 4.48Å; C17-I86 HydrophobicContact CB-CB 4.11Å; C17-I86 HydrophobicContact CB-CG1 3.93Å; C17-I86 HydrophobicContact CB-CG2 4.03Å; H18-I86 WeakPolarHBondContact CE1-CD1 3.49Å; H18-I86 VanDerWaalsContact NE2-CD1 3.26Å; H18-I86 WeakPolarHBondContact NE2-CD1 3.49Å; V21-I86 HydrophobicContact CG2-CG2 4.06Å; F55-I86 HydrophobicContact CZ-CG2 4.37Å; A82-I86 WeakPolarHBondContact O-CG1 3.36Å; A82-I86 PolarHBondContact O-N 2.83Å; V83-I86 PolarHBondContact O-N 3.4Å; L84-I86 VanDerWaalsContact C-N 3.28Å; L84-I86 PolarHBondContact O-N 3.28Å; I86-R88 VanDerWaalsContact C-N 3.34Å; I86-R88 PolarHBondContact O-N 2.95Å; I86-A89 PolarHBondContact O-N 3.25Å; I86-R90 HydrophobicContact CG2-CG 4.23Å; I86-R90 WeakPolarHBondContact O-CB 3.31Å; I86-R90 PolarHBondContact O-N 3.11Å
87L93.6Very high91.3Very high3 Ų352.3 Ų52.32%0.01626%0.257CS..Hα-helixtrans-54.9-50.8174.8175.267.1000110.7F55 A58 V59 V68 V83 L84 R90 W91F55-L87 HydrophobicContact CD1-CB 4.11Å; F55-L87 HydrophobicContact CD1-CD1 3.82Å; F55-L87 HydrophobicContact CE1-CB 3.91Å; F55-L87 HydrophobicContact CE1-CD1 4.48Å; A58-L87 HydrophobicContact CB-CD1 3.89Å; A58-L87 HydrophobicContact CB-CD2 3.81Å; V59-L87 HydrophobicContact CG2-CD1 3.54Å; V68-L87 HydrophobicContact CG1-CD2 4.04Å; V68-L87 HydrophobicContact CG2-CD2 4.1Å; V83-L87 PolarHBondContact O-N 2.9Å; L84-L87 WeakPolarHBondContact O-CB 3.43Å; L84-L87 PolarHBondContact O-N 2.98Å; L87-R90 PolarHBondContact O-N 3.31Å; L87-W91 HydrophobicContact CD1-CE3 3.98Å; L87-W91 HydrophobicContact CD1-CZ3 4.11Å; L87-W91 HydrophobicContact CG-CE3 4.17Å; L87-W91 HydrophobicContact CG-CZ3 4.33Å; L87-W91 WeakPolarHBondContact O-CA 3.43Å; L87-W91 PolarHBondContact O-N 3.45Å
88R93.2Very high91.6Very high131 Ų13147 Ų4749%0.49423%0.233SC..Hα-helixtrans-61.6-48.9178.2-72.4178.7176151.8-1111.8D65 E81 L84 I86 R90 W91D65-R88 IonicContact OD1-NE 3.76Å; D65-R88 IonicContact OD2-CZ 3.07Å; D65-R88 IonicContact OD2-NE 2.63Å; D65-R88 PolarHBondContact OD2-NE 3.35Å; D65-R88 IonicContact OD2-NH2 2.96Å; D65-R88 PolarHBondContact OD2-NH2 3.47Å; E81-R88 IonicContact OE1-NH1 3.67Å; L84-R88 HydrophobicContact CD2-CG 4.03Å; L84-R88 VanDerWaalsContact CD2-NH1 3.33Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 2.71Å; I86-R88 VanDerWaalsContact C-N 3.34Å; I86-R88 PolarHBondContact O-N 2.95Å; R88-R90 VanDerWaalsContact C-N 3.29Å; R88-R90 PolarHBondContact O-N 3.48Å; R88-W91 PolarHBondContact O-N 3.26Å
89A94.6Very high91.5Very high76 Ų7649 Ų4963%0.62824%0.238SC*.Hα-helixtrans-66-29.8-175.800000113.4S85 I86S85-A89 VanDerWaalsContact O-CB 3.29Å; S85-A89 WeakPolarHBondContact O-CB 3.47Å; S85-A89 PolarHBondContact O-N 3Å; I86-A89 PolarHBondContact O-N 3.25Å
90R95.5Very high91.1Very high37 Ų3753.5 Ų53.514%0.1426%0.263CS..Hα-helixtrans-110.911-175.7-57.1-70.9-67.9-101.1-7.6113.3V21 D22 I86 L87 R88 E92 E93 I94V21-R90 HydrophobicContact CG1-CB 3.87Å; V21-R90 HydrophobicContact CG1-CG 4.17Å; D22-R90 IonicContact OD1-CZ 2.85Å; D22-R90 IonicContact OD1-NH1 3.98Å; D22-R90 IonicContact OD1-NH2 3.53Å; D22-R90 PolarHBondContact OD1-NH2 3.38Å; I86-R90 HydrophobicContact CG2-CG 4.23Å; I86-R90 WeakPolarHBondContact O-CB 3.31Å; I86-R90 PolarHBondContact O-N 3.11Å; L87-R90 PolarHBondContact O-N 3.31Å; R88-R90 VanDerWaalsContact C-N 3.29Å; R88-R90 PolarHBondContact O-N 3.48Å; R90-E92 PolarHBondContact O-N 3.45Å; R90-E93 IonicContact CZ-OE1 3.93Å; R90-E93 IonicContact CZ-OE2 3.13Å; R90-E93 IonicContact NE-OE1 2.89Å; R90-E93 IonicContact NE-OE2 2.8Å; R90-E93 PolarHBondContact NE-OE2 2.88Å; R90-E93 IonicContact NH2-OE1 3.38Å; R90-E93 PolarHBondContact NH2-OE1 3.37Å; R90-E93 IonicContact NH2-OE2 2.65Å; R90-E93 PolarHBondContact NH2-OE2 3.35Å; R90-E93 WeakPolarHBondContact O-CB 3.49Å; R90-E93 PolarHBondContact O-N 2.76Å; R90-E93 VanDerWaalsContact O-N 3.08Å; R90-I94 HydrophobicContact CB-CD1 4.25Å; R90-I94 WeakPolarHBondContact O-CG1 3.39Å; R90-I94 PolarHBondContact O-N 3.27Å
91W92.8Very high90.4Very high42 Ų4259 Ų5916%0.15928%0.282CS..Hα-helixtrans-49.9-57-175.2-178.2-92.7000113.4A58 V59 D62 L87 R88 E93 I94 R95A58-W91 VanDerWaalsContact O-CH2 3.25Å; A58-W91 WeakPolarHBondContact O-CH2 3.38Å; V59-W91 HydrophobicContact CB-CE3 4.39Å; V59-W91 HydrophobicContact CB-CH2 4.38Å; V59-W91 HydrophobicContact CB-CZ3 4.29Å; V59-W91 HydrophobicContact CG1-CD2 4.26Å; V59-W91 HydrophobicContact CG1-CZ2 4.31Å; V59-W91 HydrophobicContact CG2-CD2 4.06Å; V59-W91 HydrophobicContact CG2-CE3 3.61Å; V59-W91 HydrophobicContact CG2-CH2 4.37Å; V59-W91 HydrophobicContact CG2-CZ3 3.79Å; D62-W91 WeakPolarHBondContact OD1-CZ2 3.43Å; L87-W91 HydrophobicContact CD1-CE3 3.98Å; L87-W91 HydrophobicContact CD1-CZ3 4.11Å; L87-W91 HydrophobicContact CG-CE3 4.17Å; L87-W91 HydrophobicContact CG-CZ3 4.33Å; L87-W91 WeakPolarHBondContact O-CA 3.43Å; L87-W91 PolarHBondContact O-N 3.45Å; R88-W91 PolarHBondContact O-N 3.26Å; W91-E93 PolarHBondContact O-N 2.99Å; W91-I94 PolarHBondContact O-N 3.04Å; W91-R95 WeakPolarHBondContact O-CB 3.46Å; W91-R95 PolarHBondContact O-N 3.32Å
92E91.5Very high89.5Confident110 Ų11060 Ų6051%0.51429%0.294SS..Hα-helixtrans-63.6-27.3-178-71.3-56.914500113.4R90 R96R90-E92 PolarHBondContact O-N 3.45Å; E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 VanDerWaalsContact O-CG 3.27Å; E92-R96 WeakPolarHBondContact O-CG 3.25Å; E92-R96 PolarHBondContact O-N 3.26Å; E92-R96 VanDerWaalsContact O-N 3.11Å; E92-R96 PolarHBondContact O-NE 3.16Å; E92-R96 VanDerWaalsContact O-NE 3.11Å
93E93.2Very high88Confident33 Ų3361.7 Ų61.715%0.15431%0.305CS..Hα-helixtrans-77-42.8177.5-163.6-176.6160.300111.7C25 R27 R90 W91 R95 R96 A97C25-E93 HydrophobicContact CB-CG 4.45Å; R27-E93 IonicContact CZ-OE1 3.04Å; R27-E93 IonicContact NH1-OE1 2.93Å; R27-E93 PolarHBondContact NH1-OE1 3.05Å; R27-E93 IonicContact NH2-OE1 2.69Å; R27-E93 PolarHBondContact NH2-OE1 3Å; R90-E93 IonicContact CZ-OE1 3.93Å; R90-E93 IonicContact CZ-OE2 3.13Å; R90-E93 IonicContact NE-OE1 2.89Å; R90-E93 IonicContact NE-OE2 2.8Å; R90-E93 PolarHBondContact NE-OE2 2.88Å; R90-E93 IonicContact NH2-OE1 3.38Å; R90-E93 PolarHBondContact NH2-OE1 3.37Å; R90-E93 IonicContact NH2-OE2 2.65Å; R90-E93 PolarHBondContact NH2-OE2 3.35Å; R90-E93 WeakPolarHBondContact O-CB 3.49Å; R90-E93 PolarHBondContact O-N 2.76Å; R90-E93 VanDerWaalsContact O-N 3.08Å; W91-E93 PolarHBondContact O-N 2.99Å; E93-R95 VanDerWaalsContact C-N 3.33Å; E93-R96 PolarHBondContact O-N 3.24Å; E93-A97 WeakPolarHBondContact O-CB 3.49Å; E93-A97 PolarHBondContact O-N 3.27Å
94I93.4Very high86.3Confident1 Ų166 Ų661%0.00534%0.335CS..Hα-helixtrans-63.1-45.2173.9-61.6162.5000109.2V21 F55 V59 R90 W91 R96 A97 L98V21-I94 HydrophobicContact CG1-CD1 4.07Å; V21-I94 HydrophobicContact CG1-CG1 3.74Å; V21-I94 HydrophobicContact CG2-CD1 3.96Å; V21-I94 HydrophobicContact CG2-CG1 4.44Å; F55-I94 HydrophobicContact CB-CD1 4.36Å; F55-I94 HydrophobicContact CD1-CD1 4.33Å; V59-I94 HydrophobicContact CB-CB 4.39Å; V59-I94 HydrophobicContact CB-CG2 3.8Å; V59-I94 HydrophobicContact CG1-CB 4.21Å; V59-I94 HydrophobicContact CG1-CG2 3.97Å; V59-I94 HydrophobicContact CG2-CB 3.93Å; V59-I94 HydrophobicContact CG2-CD1 4.09Å; V59-I94 HydrophobicContact CG2-CG2 3.65Å; R90-I94 HydrophobicContact CB-CD1 4.25Å; R90-I94 WeakPolarHBondContact O-CG1 3.39Å; R90-I94 PolarHBondContact O-N 3.27Å; W91-I94 PolarHBondContact O-N 3.04Å; I94-R96 PolarHBondContact O-N 2.81Å; I94-A97 PolarHBondContact O-N 2.88Å; I94-A97 VanDerWaalsContact O-N 3.14Å; I94-L98 HydrophobicContact CG2-CD1 3.93Å; I94-L98 HydrophobicContact CG2-CG 4.23Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.35Å; I94-L98 PolarHBondContact O-N 3.46Å
95R92.8Very high84.7Confident113 Ų11372.7 Ų72.743%0.42637%0.369SS..Hα-helixtrans-56.7-49.3178.6-173.7178.2-176.2138.97.6111.4V59 W91 E93 A97 L98 L99V59-R95 HydrophobicContact CG1-CB 3.71Å; V59-R95 HydrophobicContact CG1-CG 4.42Å; W91-R95 WeakPolarHBondContact O-CB 3.46Å; W91-R95 PolarHBondContact O-N 3.32Å; E93-R95 VanDerWaalsContact C-N 3.33Å; R95-A97 PolarHBondContact O-N 2.82Å; R95-L98 PolarHBondContact O-N 3.11Å; R95-L99 HydrophobicContact CG-CD1 4.2Å; R95-L99 WeakPolarHBondContact O-CG 3.38Å; R95-L99 PolarHBondContact O-N 3.35Å
96R89.5Confident83Confident149 Ų14972.7 Ų72.756%0.56237%0.369SS*.Hα-helixtrans-60-45175.2-77.5-178.2-67.5160.9-1.5112.1E92 E93 I94 L98 L99 D100E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 VanDerWaalsContact O-CG 3.27Å; E92-R96 WeakPolarHBondContact O-CG 3.25Å; E92-R96 PolarHBondContact O-N 3.26Å; E92-R96 VanDerWaalsContact O-N 3.11Å; E92-R96 PolarHBondContact O-NE 3.16Å; E92-R96 VanDerWaalsContact O-NE 3.11Å; E93-R96 PolarHBondContact O-N 3.24Å; I94-R96 PolarHBondContact O-N 2.81Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 3.39Å; R96-L99 PolarHBondContact O-N 3.05Å; R96-D100 WeakPolarHBondContact O-CB 3.47Å; R96-D100 PolarHBondContact O-N 3.03Å
97A88.3Confident81.5Confident15 Ų1576.2 Ų76.212%0.12439%0.394CS..Hα-helixtrans-62.7-36.4178.500000113.3C25 E93 I94 R95 R101C25-A97 HydrophobicContact CB-CB 4.24Å; E93-A97 WeakPolarHBondContact O-CB 3.49Å; E93-A97 PolarHBondContact O-N 3.27Å; I94-A97 PolarHBondContact O-N 2.88Å; I94-A97 VanDerWaalsContact O-N 3.14Å; R95-A97 PolarHBondContact O-N 2.82Å; A97-R101 WeakPolarHBondContact O-CB 3.36Å; A97-R101 VanDerWaalsContact O-CG 3.31Å; A97-R101 WeakPolarHBondContact O-CG 3.48Å; A97-R101 PolarHBondContact O-N 3.03Å
98L87.9Confident80.8Confident39 Ų3977.8 Ų77.820%0.20441%0.408CS..Hα-helixtrans-70.7-39.9175.9-65.6175.7000112.3R56 V59 I94 R95 R96 T102R56-L98 HydrophobicContact CG-CD2 3.99Å; V59-L98 HydrophobicContact CB-CD1 4.21Å; V59-L98 HydrophobicContact CG1-CD1 4.25Å; I94-L98 HydrophobicContact CG2-CD1 3.93Å; I94-L98 HydrophobicContact CG2-CG 4.23Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.35Å; I94-L98 PolarHBondContact O-N 3.46Å; R95-L98 PolarHBondContact O-N 3.11Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 3.39Å; L98-T102 WeakPolarHBondContact O-CB 3.41Å; L98-T102 PolarHBondContact O-N 3.04Å; L98-T102 PolarHBondContact O-OG1 2.8Å
99L83.9Confident80.3Confident105 Ų10573.1 Ų73.155%0.5539%0.394SS..Hα-helixtrans-64.9-46.5173.6-72.4171.7000111R95 R96 R101 T102 S103R95-L99 HydrophobicContact CG-CD1 4.2Å; R95-L99 WeakPolarHBondContact O-CG 3.38Å; R95-L99 PolarHBondContact O-N 3.35Å; R96-L99 PolarHBondContact O-N 3.05Å; L99-R101 VanDerWaalsContact C-N 3.35Å; L99-R101 PolarHBondContact O-N 3.2Å; L99-T102 PolarHBondContact O-N 3.05Å; L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 3.18Å; L99-S103 PolarHBondContact O-OG 3.31Å
100D79.2Confident80Confident109 Ų10974.3 Ų74.358%0.58339%0.389SS*.Hα-helixtrans-59.1-45.8177-85.37.9000110.8R96 T102 S103 S104R96-D100 WeakPolarHBondContact O-CB 3.47Å; R96-D100 PolarHBondContact O-N 3.03Å; D100-T102 PolarHBondContact O-N 3.07Å; D100-S103 WeakPolarHBondContact CA-OG 3.48Å; D100-S103 CarbonylContact O-C 3.48Å; D100-S103 PolarHBondContact O-N 3.43Å; D100-S103 PolarHBondContact O-OG 2.85Å; D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.4Å; D100-S104 PolarHBondContact O-N 3.01Å; D100-S104 PolarHBondContact O-OG 3.38Å
101R74.4Confident79.7Confident121 Ų12177.1 Ų77.146%0.45740%0.404SS..Hα-helixtrans-58.9-47.7174.7-79.6176.5173.4-113.2-0.2111.9A97 L99 S103 S104 I105A97-R101 WeakPolarHBondContact O-CB 3.36Å; A97-R101 VanDerWaalsContact O-CG 3.31Å; A97-R101 WeakPolarHBondContact O-CG 3.48Å; A97-R101 PolarHBondContact O-N 3.03Å; L99-R101 VanDerWaalsContact C-N 3.35Å; L99-R101 PolarHBondContact O-N 3.2Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-S103 PolarHBondContact O-N 3.36Å; R101-S104 WeakPolarHBondContact CA-OG 3.46Å; R101-S104 PolarHBondContact O-N 3.45Å; R101-S104 PolarHBondContact O-OG 2.91Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.68Å
102T70.6Confident79.7Confident95 Ų9579.3 Ų79.358%0.58342%0.419SS*.Hα-helixtrans-63-41.7177.4-550000111.7L98 L99 D100 S104 I105 S106L98-T102 WeakPolarHBondContact O-CB 3.41Å; L98-T102 PolarHBondContact O-N 3.04Å; L98-T102 PolarHBondContact O-OG1 2.8Å; L99-T102 PolarHBondContact O-N 3.05Å; D100-T102 PolarHBondContact O-N 3.07Å; T102-S104 VanDerWaalsContact C-N 3.34Å; T102-I105 WeakPolarHBondContact O-CB 3.36Å; T102-I105 PolarHBondContact O-N 2.86Å; T102-S106 PolarHBondContact O-N 2.97Å
103S59.2Low79.8Confident46 Ų4679.5 Ų79.532%0.32242%0.418SS..Hα-helixtrans-70.4-29.7178.579.10000112.7L99 D100 R101 I105 S106L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 3.18Å; L99-S103 PolarHBondContact O-OG 3.31Å; D100-S103 WeakPolarHBondContact CA-OG 3.48Å; D100-S103 CarbonylContact O-C 3.48Å; D100-S103 PolarHBondContact O-N 3.43Å; D100-S103 PolarHBondContact O-OG 2.85Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-S103 PolarHBondContact O-N 3.36Å; S103-I105 VanDerWaalsContact C-N 3.27Å; S103-I105 PolarHBondContact O-N 3.2Å; S103-S106 WeakPolarHBondContact O-CA 3.48Å; S103-S106 WeakPolarHBondContact O-CB 3.41Å; S103-S106 PolarHBondContact O-N 2.89Å
104S57.2Low79.9Confident92 Ų9283 Ų8364%0.64344%0.438SS*.Hα-helixtrans-73.5-19.6174.9740000113D100 R101 T102 S106D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.4Å; D100-S104 PolarHBondContact O-N 3.01Å; D100-S104 PolarHBondContact O-OG 3.38Å; R101-S104 WeakPolarHBondContact CA-OG 3.46Å; R101-S104 PolarHBondContact O-N 3.45Å; R101-S104 PolarHBondContact O-OG 2.91Å; T102-S104 VanDerWaalsContact C-N 3.34Å; S104-S106 VanDerWaalsContact C-N 3.32Å
105I58.9Low80Confident142 Ų14290.6 Ų90.673%0.72847%0.466SS*.Hα-helixtrans-75.8-27168.1-61.5165.1000110.1R101 T102 S103 S107R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.68Å; T102-I105 WeakPolarHBondContact O-CB 3.36Å; T102-I105 PolarHBondContact O-N 2.86Å; S103-I105 VanDerWaalsContact C-N 3.27Å; S103-I105 PolarHBondContact O-N 3.2Å; I105-S107 PolarHBondContact O-N 3.42Å
106S57.3Low80.1Confident61 Ų6190 Ų9043%0.42747%0.469SS..SBendtrans-69.4127.6170.9-167.40000109.4T102 S103 S104 A108T102-S106 PolarHBondContact O-N 2.97Å; S103-S106 WeakPolarHBondContact O-CA 3.48Å; S103-S106 WeakPolarHBondContact O-CB 3.41Å; S103-S106 PolarHBondContact O-N 2.89Å; S104-S106 VanDerWaalsContact C-N 3.32Å; S106-A108 PolarHBondContact O-N 3.21Å; S106-A108 PolarHBondContact OG-O 3.1Å
107S64.4Low80.3Confident80 Ų8088.5 Ų88.556%0.55947%0.471SS*.SBendtrans-60.6-30.5179.252.20000112.2I105 E142 N143I105-S107 PolarHBondContact O-N 3.42Å; S107-E142 VanDerWaalsContact O-CA 3.32Å; S107-E142 WeakPolarHBondContact O-CA 3.44Å; S107-E142 WeakPolarHBondContact O-CG 3.37Å; S107-N143 PolarHBondContact O-N 3.22Å
108A78.2Confident80.3Confident36 Ų3691.4 Ų91.430%0.29848%0.481SS..EExtended strand (participates in β ladder)trans-145.8142.818000000112S106 V140 R141 E142S106-A108 PolarHBondContact O-N 3.21Å; S106-A108 PolarHBondContact OG-O 3.1Å; A108-V140 HydrophobicContact CB-CG1 3.75Å; A108-R141 CarbonylContact C-O 3.56Å; A108-R141 WeakPolarHBondContact CA-O 3.18Å; A108-E142 HydrophobicContact CB-CB 4.4Å; A108-E142 HydrophobicContact CB-CG 4.46Å
109T84.3Confident80.2Confident34 Ų3495.3 Ų95.321%0.20950%0.501CS..EExtended strand (participates in β ladder)trans-137.6133.4173.955.10000111Q111 V140 R141T109-Q111 PolarHBondContact OG1-NE2 3.4Å; T109-V140 CarbonylContact O-C 3.59Å; T109-V140 WeakPolarHBondContact O-CA 3.31Å; T109-R141 PolarHBondContact N-O 3.3Å; T109-R141 PolarHBondContact O-N 2.92Å
110L88.1Confident79.8Confident101 Ų10192.1 Ų92.153%0.52949%0.49SS..EExtended strand (participates in β ladder)trans-73.2126.2174.4-176.267.1000109.6D112 L138 V140L110-D112 WeakPolarHBondContact CD1-O 3.03Å; L110-L138 HydrophobicContact CD1-CB 3.67Å; L110-L138 HydrophobicContact CD1-CD2 3.97Å; L110-L138 HydrophobicContact CD1-CG 4.27Å; L110-L138 HydrophobicContact CD2-CD2 4.47Å; L110-V140 HydrophobicContact CD1-CG2 4.05Å
111Q88.8Confident79.4Confident95 Ų9593.3 Ų93.344%0.44450%0.496SS..EExtended strand (participates in β ladder)trans-101.6-46-179.2-63.4-69-49.400111.5T109 D139 R141 L146T109-Q111 PolarHBondContact OG1-NE2 3.4Å; Q111-D139 WeakPolarHBondContact CB-O 3.33Å; Q111-D139 PolarHBondContact N-O 3.17Å; Q111-R141 HydrophobicContact CG-CB 3.71Å; Q111-L146 HydrophobicContact CG-CD1 4.46Å
112D91.8Very high78.7Confident88 Ų8890.1 Ų90.147%0.47149%0.492SS..EExtended strand (participates in β ladder)trans-150.1164.1-177.4-153.4-4.5000111.1L110 D139L110-D112 WeakPolarHBondContact CD1-O 3.03Å; D112-D139 HydrophobicContact CB-CB 4.2Å; D112-D139 PolarHBondContact N-O 3.42Å; D112-D139 PolarHBondContact O-N 2.85Å
113F94.9Very high78Confident115 Ų11590.8 Ų90.850%0.50450%0.501SS..EExtended strand (participates in β ladder)trans-146.1141.5171.274.3-82000112.7L136 C137 L138F113-L136 HydrophobicContact CB-CD1 4.49Å; F113-L136 HydrophobicContact CD2-CD1 4.16Å; F113-C137 CarbonylContact C-O 3.5Å; F113-C137 WeakPolarHBondContact CA-O 3.46Å; F113-C137 WeakPolarHBondContact CB-O 3.49Å; F113-L138 HydrophobicContact CB-CD2 3.62Å
114D95.6Very high78.1Confident107 Ų10795.1 Ų95.157%0.57252%0.52SS*.EExtended strand (participates in β ladder)trans-124.6153.4174.2-83.6-47.8000110.2C137D114-C137 HydrophobicContact CB-CB 4.31Å; D114-C137 PolarHBondContact N-O 2.94Å; D114-C137 PolarHBondContact O-N 2.98Å
115W95.8Very high78.1Confident159 Ų15997.3 Ų97.360%0.60252%0.518SS*.EExtended strand (participates in β ladder)trans-143.5151.7177.166.8-86.7000112.9L117 L134 S135 L136W115-L117 HydrophobicContact CE3-CG 4.48Å; W115-L117 HydrophobicContact CZ3-CD1 4.07Å; W115-L117 HydrophobicContact CZ3-CG 4.05Å; W115-L134 HydrophobicContact CB-CD1 3.98Å; W115-L134 HydrophobicContact CD2-CD1 4.21Å; W115-L134 HydrophobicContact CE3-CD1 3.63Å; W115-L134 HydrophobicContact CG-CD1 4.38Å; W115-S135 CarbonylContact C-O 3.56Å; W115-S135 VanDerWaalsContact CA-O 3.29Å; W115-S135 WeakPolarHBondContact CA-O 3.46Å; W115-L136 HydrophobicContact CB-CD1 4.25Å
116Q95Very high78Confident102 Ų10299.7 Ų99.748%0.47753%0.53SS..EExtended strand (participates in β ladder)trans-141.5148.8170.968.4-177.9-2600110.9K118 S135Q116-K118 HydrophobicContact CG-CG 4.27Å; Q116-S135 PolarHBondContact N-O 3.12Å; Q116-S135 PolarHBondContact NE2-OG 3.06Å; Q116-S135 PolarHBondContact O-N 3.44Å
117L92.4Very high77.7Confident117 Ų117100.3 Ų100.361%0.61354%0.535SS*.EExtended strand (participates in β ladder)trans-94.9127.4170.6-78.5165.4000109.9W115 L133 L134W115-L117 HydrophobicContact CE3-CG 4.48Å; W115-L117 HydrophobicContact CZ3-CD1 4.07Å; W115-L117 HydrophobicContact CZ3-CG 4.05Å; L117-L133 WeakPolarHBondContact CA-O 3.26Å; L117-L134 HydrophobicContact CD2-CB 4.45Å; L117-L134 HydrophobicContact CD2-CD1 4.22Å; L117-L134 HydrophobicContact CG-CD1 4.41Å
118K88.9Confident77.2Confident76 Ų76100.8 Ų100.833%0.3354%0.538SS..EExtended strand (participates in β ladder)trans-114.4147.7175.2-61.5-179-169.8166.60109.7Q116 P132 L133 S135 E152Q116-K118 HydrophobicContact CG-CG 4.27Å; K118-P132 CarbonylContact O-C 3.56Å; K118-P132 WeakPolarHBondContact O-CA 3.22Å; K118-L133 PolarHBondContact N-O 2.93Å; K118-L133 PolarHBondContact O-N 2.87Å; K118-S135 PolarHBondContact NZ-OG 3Å; K118-E152 IonicContact NZ-OE1 2.74Å; K118-E152 PolarHBondContact NZ-OE1 3.39Å
119L86.2Confident76.2Confident120 Ų120103.5 Ų103.563%0.62855%0.547SS*.EExtended strand (participates in β ladder)trans-98.9111.1167.9-67.9171.8000107.9N130 P132L119-N130 HydrophobicContact CD2-CB 4.32Å; L119-P132 HydrophobicContact CD2-CB 4.06Å
120A75.7Confident75.5Confident38 Ų38106.2 Ų106.231%0.31456%0.56SS.*EExtended strand (participates in β ladder)trans-84.5130.9173.900000109.6T131 L133A120-T131 PolarHBondContact N-O 3.03Å; A120-T131 PolarHBondContact O-N 3.41Å; A120-L133 HydrophobicContact CB-CD1 3.62Å; A120-L133 HydrophobicContact CB-CG 4.14Å
121L69.9Low74.9Confident134 Ų134104.5 Ų104.570%0.70255%0.554SS**EExtended strand (participates in β ladder)trans-87.3114.4171.8-71.8165.5000108.3N130L121-N130 VanDerWaalsContact CD2-OD1 3.25Å; L121-N130 WeakPolarHBondContact CD2-OD1 3.35Å
122S59.1Low74.8Confident55 Ų55103 Ų10339%0.38555%0.553SS.*  trans-77.4125.7172.6-177.60000110.2D124S122-D124 VanDerWaalsContact C-N 3.35Å
123S57.4Low74.7Confident108 Ų108100.6 Ų100.676%0.75554%0.539SS*.SBendtrans-80.2-14.4176.452.30000114.1
124D61.2Low74.7Confident137 Ų13796.6 Ų96.673%0.73352%0.523SS*.SBendtrans-100-0-158-51.4-23.1000113.4S122S122-D124 VanDerWaalsContact C-N 3.35Å
125K55.9Low74.7Confident138 Ų13891.6 Ų91.660%0.650%0.497SS*.SBendtrans-130.5127.6170.6-74.8-176.6177.9175.80109.7S127 L129K125-S127 CarbonylContact O-C 3.27Å; K125-S127 VanDerWaalsContact O-C 3.27Å; K125-S127 PolarHBondContact O-N 3.43Å; K125-L129 HydrophobicContact CD-CD1 4.43Å
126I57.1Low74.7Confident192 Ų19284.9 Ų84.999%0.98547%0.473SS*.SBendtrans-56.1-14178.3-69.6168.6000113
127S52.2Low74.7Confident75 Ų7582 Ų8252%0.52446%0.463SS..SBendtrans-95105.7161.760.70000109.9K125 L129K125-S127 CarbonylContact O-C 3.27Å; K125-S127 VanDerWaalsContact O-C 3.27Å; K125-S127 PolarHBondContact O-N 3.43Å; S127-L129 PolarHBondContact O-N 2.9Å
128S53.7Low74.8Confident89 Ų8978 Ų7862%0.62244%0.442SS*.  trans-52.594.2173.748.60000112.1N130S128-N130 PolarHBondContact O-N 3.15Å
129L57.4Low75Confident94 Ų9476.4 Ų76.449%0.49244%0.437SS..  trans-85.4106.1173-88.1155.7000108.1K125 S127 T131K125-L129 HydrophobicContact CD-CD1 4.43Å; S127-L129 PolarHBondContact O-N 2.9Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.31Å
130N67.9Low75.2Confident91 Ų9171.6 Ų71.649%0.48741%0.413SS..EExtended strand (participates in β ladder)trans-73.185.1169.4-68.4-33.7000108.3L119 L121 S128 P132L119-N130 HydrophobicContact CD2-CB 4.32Å; L121-N130 VanDerWaalsContact CD2-OD1 3.25Å; L121-N130 WeakPolarHBondContact CD2-OD1 3.35Å; S128-N130 PolarHBondContact O-N 3.15Å; N130-P132 WeakPolarHBondContact O-CD 3.46Å
131T77.1Confident75.7Confident65 Ų6575.5 Ų75.540%0.39942%0.419SS..EExtended strand (participates in β ladder)trans-82.9119.9178.7-560000108.7A120 L129 L133A120-T131 PolarHBondContact N-O 3.03Å; A120-T131 PolarHBondContact O-N 3.41Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.31Å; T131-L133 HydrophobicContact CG2-CD2 4.33Å; T131-L133 PolarHBondContact O-N 2.99Å
132P85.3Confident76.2Confident63 Ų6372.2 Ų72.241%0.40940%0.4SS..EExtended strand (participates in β ladder)trans-70.8127.7173.529.2-32.5000110.1K118 L119 N130K118-P132 CarbonylContact O-C 3.56Å; K118-P132 WeakPolarHBondContact O-CA 3.22Å; L119-P132 HydrophobicContact CD2-CB 4.06Å; N130-P132 WeakPolarHBondContact O-CD 3.46Å
133L90.9Very high77Confident37 Ų3776.3 Ų76.319%0.19442%0.418CS..EExtended strand (participates in β ladder)trans-118138.9173.8-61.6-179.1000109.5L117 K118 A120 T131 N154L117-L133 WeakPolarHBondContact CA-O 3.26Å; K118-L133 PolarHBondContact N-O 2.93Å; K118-L133 PolarHBondContact O-N 2.87Å; A120-L133 HydrophobicContact CB-CD1 3.62Å; A120-L133 HydrophobicContact CB-CG 4.14Å; T131-L133 HydrophobicContact CG2-CD2 4.33Å; T131-L133 PolarHBondContact O-N 2.99Å; L133-N154 HydrophobicContact CD2-CB 3.89Å
134L94Very high77.8Confident31 Ų3174.4 Ų74.416%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-85.4126169.5-175.773.8000108.6W115 L117 L136 E152 L153 V158W115-L134 HydrophobicContact CB-CD1 3.98Å; W115-L134 HydrophobicContact CD2-CD1 4.21Å; W115-L134 HydrophobicContact CE3-CD1 3.63Å; W115-L134 HydrophobicContact CG-CD1 4.38Å; L117-L134 HydrophobicContact CD2-CB 4.45Å; L117-L134 HydrophobicContact CD2-CD1 4.22Å; L117-L134 HydrophobicContact CG-CD1 4.41Å; L134-L136 HydrophobicContact CD2-CB 4.43Å; L134-E152 CarbonylContact O-C 3.56Å; L134-E152 VanDerWaalsContact O-CA 3.25Å; L134-E152 WeakPolarHBondContact O-CA 3.35Å; L134-L153 HydrophobicContact CB-CB 4.49Å; L134-L153 PolarHBondContact N-O 3.01Å; L134-L153 PolarHBondContact O-N 3.48Å; L134-V158 HydrophobicContact CB-CG2 3.92Å; L134-V158 HydrophobicContact CD2-CG1 4.38Å; L134-V158 HydrophobicContact CD2-CG2 3.57Å; L134-V158 HydrophobicContact CG-CG2 4.4Å
135S95.3Very high78.7Confident3 Ų370.8 Ų70.82%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-100.6110.5165.6171.30000107.4W115 Q116 K118 M151W115-S135 CarbonylContact C-O 3.56Å; W115-S135 VanDerWaalsContact CA-O 3.29Å; W115-S135 WeakPolarHBondContact CA-O 3.46Å; Q116-S135 PolarHBondContact N-O 3.12Å; Q116-S135 PolarHBondContact NE2-OG 3.06Å; Q116-S135 PolarHBondContact O-N 3.44Å; K118-S135 PolarHBondContact NZ-OG 3Å; S135-M151 WeakPolarHBondContact CA-O 3.37Å
136L96Very high80.1Confident18 Ų1869.1 Ų69.19%0.09440%0.401CS..EExtended strand (participates in β ladder)trans-105.1127.7-179.4176.766.6000108.9F113 W115 L134 L138 T150 M151 L153 L161F113-L136 HydrophobicContact CB-CD1 4.49Å; F113-L136 HydrophobicContact CD2-CD1 4.16Å; W115-L136 HydrophobicContact CB-CD1 4.25Å; L134-L136 HydrophobicContact CD2-CB 4.43Å; L136-L138 HydrophobicContact CD1-CD2 4.05Å; L136-L138 HydrophobicContact CD2-CD2 4.06Å; L136-L138 HydrophobicContact CD2-CG 4.41Å; L136-L138 HydrophobicContact CG-CD2 3.93Å; L136-L138 HydrophobicContact CG-CG 4.25Å; L136-T150 CarbonylContact O-C 3.54Å; L136-T150 VanDerWaalsContact O-CA 3.3Å; L136-T150 WeakPolarHBondContact O-CA 3.29Å; L136-M151 HydrophobicContact CB-CG 3.88Å; L136-M151 HydrophobicContact CD2-CG 4.18Å; L136-M151 HydrophobicContact CD2-SD 3.94Å; L136-M151 HydrophobicContact CG-CG 4.36Å; L136-M151 PolarHBondContact N-O 3.48Å; L136-M151 PolarHBondContact O-N 3.43Å; L136-L153 HydrophobicContact CD2-CD1 4.36Å; L136-L161 HydrophobicContact CD2-CD2 4Å
137C95.3Very high81.7Confident40 Ų4066.6 Ų66.627%0.2738%0.38SS..EExtended strand (participates in β ladder)trans-109.6131.5172.2-72.80000109F113 D114 I149 T150F113-C137 CarbonylContact C-O 3.5Å; F113-C137 WeakPolarHBondContact CA-O 3.46Å; F113-C137 WeakPolarHBondContact CB-O 3.49Å; D114-C137 HydrophobicContact CB-CB 4.31Å; D114-C137 PolarHBondContact N-O 2.94Å; D114-C137 PolarHBondContact O-N 2.98Å; C137-I149 CarbonylContact C-O 3.53Å; C137-I149 WeakPolarHBondContact CA-O 3.46Å; C137-T150 PolarHBondContact SG-OG1 3.3Å
138L94.9Very high83.6Confident34 Ų3467.2 Ų67.218%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-121.5121.7178.4-58.9-179.3000108.5L110 F113 L136 V140 P148 I149 M151L110-L138 HydrophobicContact CD1-CB 3.67Å; L110-L138 HydrophobicContact CD1-CD2 3.97Å; L110-L138 HydrophobicContact CD1-CG 4.27Å; L110-L138 HydrophobicContact CD2-CD2 4.47Å; F113-L138 HydrophobicContact CB-CD2 3.62Å; L136-L138 HydrophobicContact CD1-CD2 4.05Å; L136-L138 HydrophobicContact CD2-CD2 4.06Å; L136-L138 HydrophobicContact CD2-CG 4.41Å; L136-L138 HydrophobicContact CG-CD2 3.93Å; L136-L138 HydrophobicContact CG-CG 4.25Å; L138-V140 HydrophobicContact CB-CG2 4.26Å; L138-V140 PolarHBondContact O-N 3.49Å; L138-P148 CarbonylContact O-C 3.52Å; L138-P148 WeakPolarHBondContact O-CA 3.31Å; L138-I149 HydrophobicContact CB-CB 4.35Å; L138-I149 PolarHBondContact N-O 3.5Å; L138-I149 PolarHBondContact O-N 2.85Å; L138-M151 HydrophobicContact CD1-CE 3.76Å
139D92.8Very high85.4Confident43 Ų4366.3 Ų66.323%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-90.1105.6172.8-77.7-24.6000109.3Q111 D112 L146Q111-D139 WeakPolarHBondContact CB-O 3.33Å; Q111-D139 PolarHBondContact N-O 3.17Å; D112-D139 HydrophobicContact CB-CB 4.2Å; D112-D139 PolarHBondContact N-O 3.42Å; D112-D139 PolarHBondContact O-N 2.85Å; D139-L146 HydrophobicContact CB-CD1 4.34Å; D139-L146 HydrophobicContact CB-CD2 4.31Å; D139-L146 HydrophobicContact CB-CG 4.42Å
140V90.8Very high87.1Confident18 Ų1866 Ų6611%0.10937%0.371CS..EExtended strand (participates in β ladder)trans-106.3123.5-176.5-178.40000109.5A108 T109 L110 L138 E142 R147 I149A108-V140 HydrophobicContact CB-CG1 3.75Å; T109-V140 CarbonylContact O-C 3.59Å; T109-V140 WeakPolarHBondContact O-CA 3.31Å; L110-V140 HydrophobicContact CD1-CG2 4.05Å; L138-V140 HydrophobicContact CB-CG2 4.26Å; L138-V140 PolarHBondContact O-N 3.49Å; V140-E142 PolarHBondContact O-N 3.29Å; V140-R147 PolarHBondContact N-O 3.11Å; V140-R147 PolarHBondContact O-N 3.43Å; V140-I149 HydrophobicContact CB-CD1 4.33Å; V140-I149 HydrophobicContact CG2-CD1 3.82Å; V140-I149 HydrophobicContact CG2-CG1 4.36Å
141R84.8Confident88.3Confident120 Ų12064.5 Ų64.545%0.45336%0.362SS..EExtended strand (participates in β ladder)trans-82.8109.5168.6-177.6174.8-64.2-164.42.7109A108 T109 Q111 A145A108-R141 CarbonylContact C-O 3.56Å; A108-R141 WeakPolarHBondContact CA-O 3.18Å; T109-R141 PolarHBondContact N-O 3.3Å; T109-R141 PolarHBondContact O-N 2.92Å; Q111-R141 HydrophobicContact CG-CB 3.71Å; R141-A145 CarbonylContact C-O 3.54Å; R141-A145 WeakPolarHBondContact CA-O 3.46Å
142E82.2Confident89.1Confident66 Ų6666.4 Ų66.431%0.30837%0.367SS..EExtended strand (participates in β ladder)trans-118121.4179.2-177.2172-144.300108.7S107 A108 V140 G144 A145 R147S107-E142 VanDerWaalsContact O-CA 3.32Å; S107-E142 WeakPolarHBondContact O-CA 3.44Å; S107-E142 WeakPolarHBondContact O-CG 3.37Å; A108-E142 HydrophobicContact CB-CB 4.4Å; A108-E142 HydrophobicContact CB-CG 4.46Å; V140-E142 PolarHBondContact O-N 3.29Å; E142-G144 PolarHBondContact O-N 3.39Å; E142-G144 VanDerWaalsContact O-N 3.1Å; E142-A145 PolarHBondContact N-O 2.65Å; E142-A145 PolarHBondContact O-N 3.04Å; E142-R147 IonicContact OE2-CZ 4Å; E142-R147 IonicContact OE2-NH1 2.96Å; E142-R147 PolarHBondContact OE2-NH1 2.98Å
143N75Confident89.4Confident141 Ų14164.5 Ų64.575%0.75435%0.353SS*.THydrogen-bonded Turntrans5035.5-177.5-57.8-41.7000114.6S107 A145S107-N143 PolarHBondContact O-N 3.22Å; N143-A145 VanDerWaalsContact C-N 3.29Å; N143-A145 PolarHBondContact O-N 3.35Å
144G73.1Confident89.5Confident67 Ų6764.9 Ų64.969%0.69136%0.355SS*.THydrogen-bonded Turntrans82.9-7.8-179.100000115.5E142E142-G144 PolarHBondContact O-N 3.39Å; E142-G144 VanDerWaalsContact O-N 3.1Å
145A82Confident89.3Confident62 Ų6272.3 Ų72.351%0.51238%0.381SS..EExtended strand (participates in β ladder)trans-95.7139.2173.200000110.8R141 E142 N143R141-A145 CarbonylContact C-O 3.54Å; R141-A145 WeakPolarHBondContact CA-O 3.46Å; E142-A145 PolarHBondContact N-O 2.65Å; E142-A145 PolarHBondContact O-N 3.04Å; N143-A145 VanDerWaalsContact C-N 3.29Å; N143-A145 PolarHBondContact O-N 3.35Å
146L84.8Confident89.2Confident102 Ų10277.9 Ų77.953%0.53441%0.407SS..EExtended strand (participates in β ladder)trans-81.8123.9172.6-165.2117000109.3Q111 D139Q111-L146 HydrophobicContact CG-CD1 4.46Å; D139-L146 HydrophobicContact CB-CD1 4.34Å; D139-L146 HydrophobicContact CB-CD2 4.31Å; D139-L146 HydrophobicContact CB-CG 4.42Å
147R90.1Very high89.2Confident140 Ų14081.2 Ų81.253%0.52842%0.422SS..EExtended strand (participates in β ladder)trans-125113.4-178.2-173.4-179.8-179-173.3-0.7109.8V140 E142V140-R147 PolarHBondContact N-O 3.11Å; V140-R147 PolarHBondContact O-N 3.43Å; E142-R147 IonicContact OE2-CZ 4Å; E142-R147 IonicContact OE2-NH1 2.96Å; E142-R147 PolarHBondContact OE2-NH1 2.98Å
148P91.4Very high89.1Confident88 Ų8880.9 Ų80.957%0.57142%0.419SS*.EExtended strand (participates in β ladder)trans-75.2135.5173.929.8-32.8000110.3L138L138-P148 CarbonylContact O-C 3.52Å; L138-P148 WeakPolarHBondContact O-CA 3.31Å
149I91.8Very high89.2Confident69 Ų6982.6 Ų82.635%0.35443%0.433SS..EExtended strand (participates in β ladder)trans-120.4119.3173.7-57.8178.6000107.8C137 L138 V140 M151C137-I149 CarbonylContact C-O 3.53Å; C137-I149 WeakPolarHBondContact CA-O 3.46Å; L138-I149 HydrophobicContact CB-CB 4.35Å; L138-I149 PolarHBondContact N-O 3.5Å; L138-I149 PolarHBondContact O-N 2.85Å; V140-I149 HydrophobicContact CB-CD1 4.33Å; V140-I149 HydrophobicContact CG2-CD1 3.82Å; V140-I149 HydrophobicContact CG2-CG1 4.36Å; I149-M151 HydrophobicContact CG2-CE 4.32Å
150T93.1Very high89.3Confident88 Ų8884.7 Ų84.754%0.5445%0.448SS..EExtended strand (participates in β ladder)trans-109.9133.3176.9-52.40000110.3L136 C137L136-T150 CarbonylContact O-C 3.54Å; L136-T150 VanDerWaalsContact O-CA 3.3Å; L136-T150 WeakPolarHBondContact O-CA 3.29Å; C137-T150 PolarHBondContact SG-OG1 3.3Å
151M93.6Very high89.5Confident60 Ų6086.8 Ų86.830%0.29646%0.458SS..EExtended strand (participates in β ladder)trans-131.1145.7173.860.1-172.373.200110.6S135 L136 L138 I149 L153S135-M151 WeakPolarHBondContact CA-O 3.37Å; L136-M151 HydrophobicContact CB-CG 3.88Å; L136-M151 HydrophobicContact CD2-CG 4.18Å; L136-M151 HydrophobicContact CD2-SD 3.94Å; L136-M151 HydrophobicContact CG-CG 4.36Å; L136-M151 PolarHBondContact N-O 3.48Å; L136-M151 PolarHBondContact O-N 3.43Å; L138-M151 HydrophobicContact CD1-CE 3.76Å; I149-M151 HydrophobicContact CG2-CE 4.32Å; M151-L153 HydrophobicContact CG-CD1 4.08Å; M151-L153 HydrophobicContact CG-CD2 4.39Å; M151-L153 HydrophobicContact CG-CG 4.1Å; M151-L153 HydrophobicContact SD-CD1 3.92Å; M151-L153 HydrophobicContact SD-CD2 4.25Å; M151-L153 HydrophobicContact SD-CG 4.33Å
152E93.7Very high90Very high105 Ų10585 Ų8549%0.49146%0.456SS..EExtended strand (participates in β ladder)trans-107.6130169.9-68.2-169.515300108.9K118 L134K118-E152 IonicContact NZ-OE1 2.74Å; K118-E152 PolarHBondContact NZ-OE1 3.39Å; L134-E152 CarbonylContact O-C 3.56Å; L134-E152 VanDerWaalsContact O-CA 3.25Å; L134-E152 WeakPolarHBondContact O-CA 3.35Å
153L93Very high90.7Very high22 Ų2284.9 Ų84.912%0.11546%0.463CS..EExtended strand (participates in β ladder)trans-131.2134.1-171.6-57.2169.5000109.7L134 L136 M151 E157 V158 L161L134-L153 HydrophobicContact CB-CB 4.49Å; L134-L153 PolarHBondContact N-O 3.01Å; L134-L153 PolarHBondContact O-N 3.48Å; L136-L153 HydrophobicContact CD2-CD1 4.36Å; M151-L153 HydrophobicContact CG-CD1 4.08Å; M151-L153 HydrophobicContact CG-CD2 4.39Å; M151-L153 HydrophobicContact CG-CG 4.1Å; M151-L153 HydrophobicContact SD-CD1 3.92Å; M151-L153 HydrophobicContact SD-CD2 4.25Å; M151-L153 HydrophobicContact SD-CG 4.33Å; L153-E157 WeakPolarHBondContact CA-OE2 3.37Å; L153-E157 HydrophobicContact CB-CB 4.1Å; L153-E157 HydrophobicContact CD2-CB 3.99Å; L153-V158 HydrophobicContact CB-CG2 3.57Å; L153-V158 HydrophobicContact CD1-CG2 4.06Å; L153-V158 HydrophobicContact CG-CG2 4.49Å; L153-L161 HydrophobicContact CD1-CD2 3.88Å
154N92Very high91.7Very high46 Ų4681.5 Ų81.525%0.24645%0.451CS..  trans-77.7176165.466.245.7000111.1L133 E156 E157 V158L133-N154 HydrophobicContact CD2-CB 3.89Å; N154-E156 VanDerWaalsContact C-N 3.3Å; N154-E156 PolarHBondContact O-N 3.01Å; N154-E156 WeakPolarHBondContact OD1-CB 3.15Å; N154-E156 PolarHBondContact OD1-N 2.8Å; N154-E156 PolarHBondContact OD1-OE2 3.44Å; N154-E157 PolarHBondContact N-OE2 3.29Å; N154-E157 PolarHBondContact ND2-OE2 2.91Å; N154-E157 VanDerWaalsContact ND2-OE2 3.09Å; N154-E157 PolarHBondContact O-N 3.44Å; N154-E157 WeakPolarHBondContact OD1-CB 3.36Å; N154-E157 WeakPolarHBondContact OD1-CG 3.28Å; N154-E157 PolarHBondContact OD1-N 2.96Å; N154-V158 VanDerWaalsContact O-CG2 3.32Å; N154-V158 WeakPolarHBondContact O-CG2 3.43Å; N154-V158 PolarHBondContact O-N 3.02Å
155R90.6Very high92.7Very high186 Ų18683.7 Ų83.770%0.70245%0.446SS*.Hα-helixtrans-58-43.6-177.4174.4-178.6-67.3-80.3-1.3112.2V158 S159R155-V158 PolarHBondContact O-N 3.25Å; R155-S159 PolarHBondContact O-N 3.47Å
156E93.4Very high93.3Very high121 Ų12185.8 Ų85.857%0.56545%0.445SS*.Hα-helixtrans-67.4-41.4-176.4-63.368.3-148.900110.9N154 S159 T160N154-E156 VanDerWaalsContact C-N 3.3Å; N154-E156 PolarHBondContact O-N 3.01Å; N154-E156 WeakPolarHBondContact OD1-CB 3.15Å; N154-E156 PolarHBondContact OD1-N 2.8Å; N154-E156 PolarHBondContact OD1-OE2 3.44Å; E156-S159 PolarHBondContact O-N 3.32Å; E156-T160 WeakPolarHBondContact O-CB 3.19Å; E156-T160 PolarHBondContact O-N 3.21Å; E156-T160 PolarHBondContact O-OG1 3.22Å
157E94.1Very high93.8Very high88 Ų8883.5 Ų83.541%0.41144%0.44SS..Hα-helixtrans-65.2-43.2175.4-71167.2157.300111.8L153 N154 S159 T160 L161L153-E157 WeakPolarHBondContact CA-OE2 3.37Å; L153-E157 HydrophobicContact CB-CB 4.1Å; L153-E157 HydrophobicContact CD2-CB 3.99Å; N154-E157 PolarHBondContact N-OE2 3.29Å; N154-E157 PolarHBondContact ND2-OE2 2.91Å; N154-E157 VanDerWaalsContact ND2-OE2 3.09Å; N154-E157 PolarHBondContact O-N 3.44Å; N154-E157 WeakPolarHBondContact OD1-CB 3.36Å; N154-E157 WeakPolarHBondContact OD1-CG 3.28Å; N154-E157 PolarHBondContact OD1-N 2.96Å; E157-S159 PolarHBondContact O-N 3.43Å; E157-T160 WeakPolarHBondContact O-CB 3.22Å; E157-T160 PolarHBondContact O-N 2.85Å; E157-L161 WeakPolarHBondContact O-CB 3.48Å; E157-L161 PolarHBondContact O-N 2.86Å
158V94.4Very high93.8Very high33 Ų3379.4 Ų79.420%0.244%0.437CS..Hα-helixtrans-60.9-45.5174.4173.30000111L134 L153 N154 R155 T160 L161 I162L134-V158 HydrophobicContact CB-CG2 3.92Å; L134-V158 HydrophobicContact CD2-CG1 4.38Å; L134-V158 HydrophobicContact CD2-CG2 3.57Å; L134-V158 HydrophobicContact CG-CG2 4.4Å; L153-V158 HydrophobicContact CB-CG2 3.57Å; L153-V158 HydrophobicContact CD1-CG2 4.06Å; L153-V158 HydrophobicContact CG-CG2 4.49Å; N154-V158 VanDerWaalsContact O-CG2 3.32Å; N154-V158 WeakPolarHBondContact O-CG2 3.43Å; N154-V158 PolarHBondContact O-N 3.02Å; R155-V158 PolarHBondContact O-N 3.25Å; V158-T160 PolarHBondContact O-N 3.35Å; V158-L161 PolarHBondContact O-N 3.12Å; V158-I162 HydrophobicContact CG1-CD1 3.84Å; V158-I162 HydrophobicContact CG1-CG1 4.46Å; V158-I162 WeakPolarHBondContact O-CG1 3.33Å; V158-I162 PolarHBondContact O-N 2.84Å
159S95.9Very high93.8Very high69 Ų6979.5 Ų79.548%0.48343%0.433SS..Hα-helixtrans-60.7-37.9177.5-171.30000111.9R155 E156 E157 S163R155-S159 PolarHBondContact O-N 3.47Å; E156-S159 PolarHBondContact O-N 3.32Å; E157-S159 PolarHBondContact O-N 3.43Å; S159-S163 WeakPolarHBondContact O-CB 3.28Å; S159-S163 PolarHBondContact O-N 3.24Å; S159-S163 VanDerWaalsContact O-N 3.11Å; S159-S163 PolarHBondContact O-OG 3.34Å
160T96.4Very high93.8Very high88 Ų8882.6 Ų82.654%0.5444%0.443SS..Hα-helixtrans-67.5-46.5177.4-560000110.7E156 E157 V158 I162 S163 S164E156-T160 WeakPolarHBondContact O-CB 3.19Å; E156-T160 PolarHBondContact O-N 3.21Å; E156-T160 PolarHBondContact O-OG1 3.22Å; E157-T160 WeakPolarHBondContact O-CB 3.22Å; E157-T160 PolarHBondContact O-N 2.85Å; V158-T160 PolarHBondContact O-N 3.35Å; T160-I162 PolarHBondContact O-N 3.08Å; T160-S163 PolarHBondContact O-N 2.78Å; T160-S164 PolarHBondContact O-N 3.43Å; T160-S164 PolarHBondContact O-OG 3.27Å
161L94.8Very high93.7Very high62 Ų6282.2 Ų82.233%0.32544%0.441SS..Hα-helixtrans-57.3-49177.4177.963.7000111.8L136 L153 E157 V158 S163 S164 L165L136-L161 HydrophobicContact CD2-CD2 4Å; L153-L161 HydrophobicContact CD1-CD2 3.88Å; E157-L161 WeakPolarHBondContact O-CB 3.48Å; E157-L161 PolarHBondContact O-N 2.86Å; V158-L161 PolarHBondContact O-N 3.12Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.38Å; L161-S164 PolarHBondContact O-N 2.82Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.43Å; L161-L165 HydrophobicContact CG-CD1 4.23Å; L161-L165 WeakPolarHBondContact O-CG 3.45Å; L161-L165 PolarHBondContact O-N 3.36Å
162I95.6Very high93.2Very high81 Ų8183 Ų8342%0.41545%0.449SS..Hα-helixtrans-58.7-47.6177.7-67.5167.8000110.2V158 T160 S164 L165 E166V158-I162 HydrophobicContact CG1-CD1 3.84Å; V158-I162 HydrophobicContact CG1-CG1 4.46Å; V158-I162 WeakPolarHBondContact O-CG1 3.33Å; V158-I162 PolarHBondContact O-N 2.84Å; T160-I162 PolarHBondContact O-N 3.08Å; I162-S164 VanDerWaalsContact C-N 3.31Å; I162-S164 PolarHBondContact O-N 3.33Å; I162-L165 PolarHBondContact O-N 2.95Å; I162-E166 HydrophobicContact CG2-CG 4.3Å; I162-E166 WeakPolarHBondContact O-CG 3.26Å; I162-E166 PolarHBondContact O-N 3.14Å
163S96.5Very high92.7Very high64 Ų6482.6 Ų82.645%0.44845%0.45SS..Hα-helixtrans-60.5-39.9-179.6-58.70000112.2S159 T160 L161 A167S159-S163 WeakPolarHBondContact O-CB 3.28Å; S159-S163 PolarHBondContact O-N 3.24Å; S159-S163 VanDerWaalsContact O-N 3.11Å; S159-S163 PolarHBondContact O-OG 3.34Å; T160-S163 PolarHBondContact O-N 2.78Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.38Å; S163-A167 WeakPolarHBondContact O-CB 3.36Å; S163-A167 PolarHBondContact O-N 3.03Å
164S95.3Very high92.2Very high71 Ų7189.1 Ų89.150%0.49748%0.479SS..Hα-helixtrans-65.4-43.3175.4-62.80000112.4T160 L161 I162 A167 A168T160-S164 PolarHBondContact O-N 3.43Å; T160-S164 PolarHBondContact O-OG 3.27Å; L161-S164 PolarHBondContact O-N 2.82Å; I162-S164 VanDerWaalsContact C-N 3.31Å; I162-S164 PolarHBondContact O-N 3.33Å; S164-A167 PolarHBondContact O-N 3.46Å; S164-A168 PolarHBondContact O-N 3.01Å
165L94.3Very high91.2Very high112 Ų11293.8 Ų93.859%0.58650%0.504SS*.Hα-helixtrans-65.8-40.6177.9-69.6174.1000111.9L161 I162 A168 N169L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.43Å; L161-L165 HydrophobicContact CG-CD1 4.23Å; L161-L165 WeakPolarHBondContact O-CG 3.45Å; L161-L165 PolarHBondContact O-N 3.36Å; I162-L165 PolarHBondContact O-N 2.95Å; L165-A168 PolarHBondContact O-N 2.99Å; L165-N169 WeakPolarHBondContact O-CB 3.41Å; L165-N169 PolarHBondContact O-N 3.48Å
166E95.5Very high89.3Confident107 Ų10795.3 Ų95.350%0.552%0.515SS..Hα-helixtrans-63.6-41.7175-74-179.6175.500112.3I162 N169 K170I162-E166 HydrophobicContact CG2-CG 4.3Å; I162-E166 WeakPolarHBondContact O-CG 3.26Å; I162-E166 PolarHBondContact O-N 3.14Å; E166-N169 PolarHBondContact O-N 2.95Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 3.26Å
167A94.8Very high89.1Confident53 Ų5394 Ų9444%0.43851%0.513SS..Hα-helixtrans-62.8-44.3176.100000111.5S163 S164 K170 V171S163-A167 WeakPolarHBondContact O-CB 3.36Å; S163-A167 PolarHBondContact O-N 3.03Å; S164-A167 PolarHBondContact O-N 3.46Å; A167-K170 PolarHBondContact O-N 3.14Å; A167-V171 PolarHBondContact O-N 3.46Å
168A90.1Very high88.9Confident55 Ų5594.3 Ų94.346%0.45552%0.518SS..Hα-helixtrans-60.9-44.2174.500000111.7S164 L165 K170 V171 V172S164-A168 PolarHBondContact O-N 3.01Å; L165-A168 PolarHBondContact O-N 2.99Å; A168-K170 VanDerWaalsContact C-N 3.32Å; A168-K170 PolarHBondContact O-N 3.13Å; A168-V171 PolarHBondContact O-N 2.66Å; A168-V172 WeakPolarHBondContact O-CG2 3.37Å; A168-V172 PolarHBondContact O-N 3.3Å; A168-V172 VanDerWaalsContact O-N 3.09Å
169N90.2Very high88.6Confident90 Ų9097.7 Ų97.748%0.48154%0.536SS..Hα-helixtrans-61.4-38.6178.1-172.743.3000112.5L165 E166 V171 V172 L173L165-N169 WeakPolarHBondContact O-CB 3.41Å; L165-N169 PolarHBondContact O-N 3.48Å; E166-N169 PolarHBondContact O-N 2.95Å; N169-V171 VanDerWaalsContact C-N 3.32Å; N169-V171 PolarHBondContact O-N 3.14Å; N169-V172 PolarHBondContact O-N 3.25Å; N169-L173 WeakPolarHBondContact O-CG 3.46Å; N169-L173 PolarHBondContact O-N 3.45Å
170K93.3Very high88.1Confident133 Ų13399.4 Ų99.458%0.57854%0.539SS*.Hα-helixtrans-59.3-42175.2-75172.1-176.1171.10112.2E166 A167 A168 L173 Q174E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 3.26Å; A167-K170 PolarHBondContact O-N 3.14Å; A168-K170 VanDerWaalsContact C-N 3.32Å; A168-K170 PolarHBondContact O-N 3.13Å; K170-L173 PolarHBondContact O-N 2.91Å; K170-Q174 WeakPolarHBondContact O-CG 3.36Å; K170-Q174 PolarHBondContact O-N 3.25Å
171V90.6Very high87.6Confident80 Ų80100.1 Ų100.149%0.48554%0.539SS..Hα-helixtrans-65.6-43.6176.9177.60000110.8A167 A168 N169 L173 Q174 L175A167-V171 PolarHBondContact O-N 3.46Å; A168-V171 PolarHBondContact O-N 2.66Å; N169-V171 VanDerWaalsContact C-N 3.32Å; N169-V171 PolarHBondContact O-N 3.14Å; V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 2.8Å; V171-Q174 PolarHBondContact O-N 3.45Å; V171-Q174 VanDerWaalsContact O-N 3.09Å; V171-L175 HydrophobicContact CG1-CD1 4.27Å; V171-L175 WeakPolarHBondContact O-CG 3.31Å; V171-L175 PolarHBondContact O-N 2.89Å
172V83.1Confident87.1Confident78 Ų78102.7 Ų102.747%0.47355%0.553SS.*Hα-helixtrans-59.7-40.1177.3173.40000111.7A168 N169 Q174 L175 K176A168-V172 WeakPolarHBondContact O-CG2 3.37Å; A168-V172 PolarHBondContact O-N 3.3Å; A168-V172 VanDerWaalsContact O-N 3.09Å; N169-V172 PolarHBondContact O-N 3.25Å; V172-Q174 VanDerWaalsContact C-N 3.29Å; V172-Q174 PolarHBondContact O-N 3.05Å; V172-L175 PolarHBondContact O-N 3.14Å; V172-K176 PolarHBondContact O-N 3.42Å
173L82.9Confident86.5Confident96 Ų96104.2 Ų104.250%0.50356%0.563SS.*Hα-helixtrans-68.2-26.1177-70.7172.4000113.6N169 K170 V171 L175N169-L173 WeakPolarHBondContact O-CG 3.46Å; N169-L173 PolarHBondContact O-N 3.45Å; K170-L173 PolarHBondContact O-N 2.91Å; V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 2.8Å; L173-L175 VanDerWaalsContact C-N 3.34Å
174Q81.8Confident85.8Confident158 Ų158107.3 Ų107.374%0.73857%0.572SS**Hα-helixtrans-79.2-18.3175-70.8174.1-4.900113.2K170 V171 V172K170-Q174 WeakPolarHBondContact O-CG 3.36Å; K170-Q174 PolarHBondContact O-N 3.25Å; V171-Q174 PolarHBondContact O-N 3.45Å; V171-Q174 VanDerWaalsContact O-N 3.09Å; V172-Q174 VanDerWaalsContact C-N 3.29Å; V172-Q174 PolarHBondContact O-N 3.05Å
175L72.2Confident85Confident144 Ų144110.3 Ų110.375%0.75458%0.578SS**  trans-89.7-9.8177.4-67.3171.1000113V171 V172 L173V171-L175 HydrophobicContact CG1-CD1 4.27Å; V171-L175 WeakPolarHBondContact O-CG 3.31Å; V171-L175 PolarHBondContact O-N 2.89Å; V172-L175 PolarHBondContact O-N 3.14Å; L173-L175 VanDerWaalsContact C-N 3.34Å
176K50.9Low84.1Confident218 Ų218110.2 Ų110.295%0.94858%0.577SS**  trans-85.70170.6-77.5-174.9174.6-177.30110.6V172V172-K176 PolarHBondContact O-N 3.42Å

Retrieved 176 of 176 residues in 37.3 ms (Link to these results)

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