A0A077Z791_TRITR Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z791, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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
1M42.5Very low67.8Low228 Ų228130 Ų130100%1.12368%0.676SS**  095.70-83.4177.6157.700108.4R3M1-R3 PolarHBondContact O-N 3.23Å
2I49.2Very low69.3Low172 Ų172126.9 Ų126.988%0.88266%0.662SS**  trans-77.399.4171.6-57.4178.4000104.9
3R53.5Low70.8Confident229 Ų229121.8 Ų121.886%0.86465%0.649SS**  trans-66133.6-179.6-74.1178.2179.4161.5-0.4109M1 G5M1-R3 PolarHBondContact O-N 3.23Å; R3-G5 PolarHBondContact O-N 3.03Å
4D56Low72.1Confident123 Ų123121.3 Ų121.366%0.65864%0.641SS**  trans-57.259-178.8-61.3-62.4000115.5T6 C7D4-T6 PolarHBondContact O-N 2.9Å; D4-C7 HydrophobicContact CB-CB 3.99Å; D4-C7 PolarHBondContact O-N 3.46Å
5G61.9Low73.1Confident53 Ų53116.1 Ų116.155%0.54661%0.611SS.*Hα-helixtrans-61.9-25.3172.800000112.6R3 S9R3-G5 PolarHBondContact O-N 3.03Å; G5-S9 WeakPolarHBondContact O-CB 3.31Å; G5-S9 PolarHBondContact O-N 3.37Å
6T71.6Confident74Confident106 Ų106112.3 Ų112.365%0.6560%0.601SS**Hα-helixtrans-73.3-36.3177.852.50000112.6D4 R10D4-T6 PolarHBondContact O-N 2.9Å; T6-R10 WeakPolarHBondContact O-CB 3.46Å; T6-R10 VanDerWaalsContact O-CG 3.29Å; T6-R10 WeakPolarHBondContact O-CG 3.49Å; T6-R10 PolarHBondContact O-N 3.05Å
7C78.1Confident74.8Confident81 Ų81110.6 Ų110.655%0.54759%0.592SS.*Hα-helixtrans-69.4-48.7-179.7-172.90000111.3D4 S9 R10 Y11D4-C7 HydrophobicContact CB-CB 3.99Å; D4-C7 PolarHBondContact O-N 3.46Å; C7-S9 VanDerWaalsContact C-N 3.34Å; C7-S9 PolarHBondContact O-N 3.09Å; C7-R10 PolarHBondContact O-N 3.05Å; C7-Y11 WeakPolarHBondContact O-CB 3.18Å; C7-Y11 PolarHBondContact O-N 3.43Å
8A79.2Confident75.6Confident54 Ų54110.7 Ų110.745%0.44659%0.592SS.*Hα-helixtrans-62.2-41177.900000112.1Y11 N12A8-Y11 PolarHBondContact O-N 3.46Å; A8-N12 WeakPolarHBondContact O-CB 3.14Å; A8-N12 VanDerWaalsContact O-CG 3.27Å; A8-N12 PolarHBondContact O-N 2.97Å; A8-N12 PolarHBondContact O-ND2 2.72Å
9S83.9Confident76.1Confident79 Ų79107.5 Ų107.555%0.55257%0.571SS**Hα-helixtrans-64.6-41.9176.7-172.60000112.3G5 C7 N12 A13G5-S9 WeakPolarHBondContact O-CB 3.31Å; G5-S9 PolarHBondContact O-N 3.37Å; C7-S9 VanDerWaalsContact C-N 3.34Å; C7-S9 PolarHBondContact O-N 3.09Å; S9-N12 PolarHBondContact O-N 3.37Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.5Å
10R85.9Confident76.6Confident170 Ų170105.6 Ų105.664%0.64257%0.566SS**Hα-helixtrans-64.5-46.5176.4-77.618065.1172.70.6111.6T6 C7 N12 A13 E14T6-R10 WeakPolarHBondContact O-CB 3.46Å; T6-R10 VanDerWaalsContact O-CG 3.29Å; T6-R10 WeakPolarHBondContact O-CG 3.49Å; T6-R10 PolarHBondContact O-N 3.05Å; C7-R10 PolarHBondContact O-N 3.05Å; R10-N12 VanDerWaalsContact C-N 3.34Å; R10-N12 PolarHBondContact O-N 3.43Å; R10-A13 PolarHBondContact O-N 3.41Å; R10-E14 WeakPolarHBondContact O-CG 3.26Å; R10-E14 PolarHBondContact O-N 2.71Å
11Y83.8Confident77.2Confident135 Ų135106.7 Ų106.753%0.52957%0.566SS.*Hα-helixtrans-57.5-46.3175.9175.3-97.3000111.8C7 A8 A13 E14 K15C7-Y11 WeakPolarHBondContact O-CB 3.18Å; C7-Y11 PolarHBondContact O-N 3.43Å; A8-Y11 PolarHBondContact O-N 3.46Å; Y11-A13 VanDerWaalsContact C-N 3.35Å; Y11-A13 PolarHBondContact O-N 2.77Å; Y11-E14 PolarHBondContact O-N 2.94Å; Y11-K15 HydrophobicContact CE1-CD 4.2Å; Y11-K15 VanDerWaalsContact O-CB 3.22Å; Y11-K15 WeakPolarHBondContact O-CB 3.12Å; Y11-K15 PolarHBondContact O-N 3.19Å
12N85.6Confident79.4Confident93 Ų9398.7 Ų98.750%0.49753%0.53SS..Hα-helixtrans-64.3-38.7178.1-73.1-21.1000112.3A8 S9 R10 K15 A16A8-N12 WeakPolarHBondContact O-CB 3.14Å; A8-N12 VanDerWaalsContact O-CG 3.27Å; A8-N12 PolarHBondContact O-N 2.97Å; A8-N12 PolarHBondContact O-ND2 2.72Å; S9-N12 PolarHBondContact O-N 3.37Å; R10-N12 VanDerWaalsContact C-N 3.34Å; R10-N12 PolarHBondContact O-N 3.43Å; N12-K15 PolarHBondContact O-N 3.09Å; N12-A16 WeakPolarHBondContact O-CB 3.48Å; N12-A16 PolarHBondContact O-N 2.93Å
13A88.7Confident81.2Confident60 Ų6090.8 Ų90.850%0.49649%0.49SS..Hα-helixtrans-66.4-43.9176.100000112.2S9 R10 Y11 A16 N17S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.5Å; R10-A13 PolarHBondContact O-N 3.41Å; Y11-A13 VanDerWaalsContact C-N 3.35Å; Y11-A13 PolarHBondContact O-N 2.77Å; A13-A16 PolarHBondContact O-N 3.25Å; A13-N17 WeakPolarHBondContact O-CB 3.2Å; A13-N17 PolarHBondContact O-N 2.91Å
14E90Very high82.8Confident115 Ų11582 Ų8254%0.53746%0.464SS..Hα-helixtrans-64.5-41.5175.4-73.1174-16600111.4R10 Y11 N17 L18R10-E14 WeakPolarHBondContact O-CG 3.26Å; R10-E14 PolarHBondContact O-N 2.71Å; Y11-E14 PolarHBondContact O-N 2.94Å; E14-N17 PolarHBondContact O-N 3.02Å; E14-L18 WeakPolarHBondContact O-CB 3.25Å; E14-L18 PolarHBondContact O-N 2.77Å
15K86.6Confident84.3Confident43 Ų4382.1 Ų82.119%0.18746%0.46CS..Hα-helixtrans-59.6-46.5173.7-175.5-172.6-179-158.10111.5Y11 N12 L18 R19 D163Y11-K15 HydrophobicContact CE1-CD 4.2Å; Y11-K15 VanDerWaalsContact O-CB 3.22Å; Y11-K15 WeakPolarHBondContact O-CB 3.12Å; Y11-K15 PolarHBondContact O-N 3.19Å; N12-K15 PolarHBondContact O-N 3.09Å; K15-L18 PolarHBondContact O-N 3.27Å; K15-R19 VanDerWaalsContact CE-CZ 3.43Å; K15-R19 WeakPolarHBondContact O-CB 3.42Å; K15-R19 WeakPolarHBondContact O-CG 3.41Å; K15-R19 PolarHBondContact O-N 2.58Å; K15-D163 IonicContact NZ-OD1 2.68Å
16A87.1Confident85.6Confident56 Ų5682.5 Ų82.546%0.46345%0.45SS..Hα-helixtrans-63.8-41.4176.400000111.9N12 A13 L18 R19 S20N12-A16 WeakPolarHBondContact O-CB 3.48Å; N12-A16 PolarHBondContact O-N 2.93Å; A13-A16 PolarHBondContact O-N 3.25Å; A16-L18 PolarHBondContact O-N 3.02Å; A16-R19 PolarHBondContact O-N 3.44Å; A16-S20 WeakPolarHBondContact O-CB 3.26Å; A16-S20 PolarHBondContact O-N 2.91Å
17N88.6Confident86.5Confident84 Ų8481.1 Ų81.145%0.44943%0.432SS..Hα-helixtrans-61.9-44175.6-172.9-94.3000112A13 E14 S20 K21A13-N17 WeakPolarHBondContact O-CB 3.2Å; A13-N17 PolarHBondContact O-N 2.91Å; E14-N17 PolarHBondContact O-N 3.02Å; N17-S20 PolarHBondContact O-N 2.83Å; N17-K21 WeakPolarHBondContact O-CG 3.35Å; N17-K21 PolarHBondContact O-N 3.42Å; N17-K21 WeakPolarHBondContact OD1-CD 3.29Å; N17-K21 WeakPolarHBondContact OD1-CE 3.32Å; N17-K21 PolarHBondContact OD1-NZ 3.08Å
18L87.8Confident87.1Confident111 Ų11181.7 Ų81.758%0.58143%0.43SS*.Hα-helixtrans-64.6-45.5177.3-176.261.8000111.4E14 K15 A16 S20 K21 V22E14-L18 WeakPolarHBondContact O-CB 3.25Å; E14-L18 PolarHBondContact O-N 2.77Å; K15-L18 PolarHBondContact O-N 3.27Å; A16-L18 PolarHBondContact O-N 3.02Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.88Å; L18-K21 PolarHBondContact O-N 3.13Å; L18-V22 HydrophobicContact CD1-CG2 4.34Å; L18-V22 WeakPolarHBondContact O-CG2 3.22Å; L18-V22 PolarHBondContact O-N 3.49Å
19R86.6Confident87.7Confident50 Ų5082.1 Ų82.119%0.18943%0.427CS..Hα-helixtrans-55.8-47.2174.4-77.3177173.9-174.4-6.1111.5K15 A16 K21 V22 A23 F161 D163K15-R19 VanDerWaalsContact CE-CZ 3.43Å; K15-R19 WeakPolarHBondContact O-CB 3.42Å; K15-R19 WeakPolarHBondContact O-CG 3.41Å; K15-R19 PolarHBondContact O-N 2.58Å; A16-R19 PolarHBondContact O-N 3.44Å; R19-K21 PolarHBondContact O-N 2.85Å; R19-V22 PolarHBondContact O-N 2.82Å; R19-A23 VanDerWaalsContact O-CB 3.26Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 2.85Å; R19-F161 VanDerWaalsContact CZ-O 3.23Å; R19-F161 PolarHBondContact NH1-O 3.39Å; R19-F161 PolarHBondContact NH2-O 3.36Å; R19-D163 IonicContact NH1-OD1 3.85Å
20S85.6Confident88.1Confident70 Ų7079.7 Ų79.749%0.4941%0.408SS..Hα-helixtrans-60.9-45178.2-1780000112.3A16 N17 L18 A23 S24A16-S20 WeakPolarHBondContact O-CB 3.26Å; A16-S20 PolarHBondContact O-N 2.91Å; N17-S20 PolarHBondContact O-N 2.83Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.88Å; S20-A23 PolarHBondContact O-N 2.89Å; S20-S24 WeakPolarHBondContact O-CB 3.29Å; S20-S24 PolarHBondContact O-N 3.39Å
21K89.8Confident88.4Confident128 Ų12874 Ų7456%0.55739%0.392SS*.Hα-helixtrans-61.3-47176.2-77.4171.8173.3163.20112.4N17 L18 R19 S24 H25N17-K21 WeakPolarHBondContact O-CG 3.35Å; N17-K21 PolarHBondContact O-N 3.42Å; N17-K21 WeakPolarHBondContact OD1-CD 3.29Å; N17-K21 WeakPolarHBondContact OD1-CE 3.32Å; N17-K21 PolarHBondContact OD1-NZ 3.08Å; L18-K21 PolarHBondContact O-N 3.13Å; R19-K21 PolarHBondContact O-N 2.85Å; K21-S24 PolarHBondContact O-N 3.38Å; K21-H25 PolarHBondContact O-N 3.49Å
22V88.2Confident88.9Confident60 Ų6072.1 Ų72.136%0.36440%0.395SS..Hα-helixtrans-63.2-45.9177.8172.20000110.5L18 R19 S24 H25 L26L18-V22 HydrophobicContact CD1-CG2 4.34Å; L18-V22 WeakPolarHBondContact O-CG2 3.22Å; L18-V22 PolarHBondContact O-N 3.49Å; R19-V22 PolarHBondContact O-N 2.82Å; V22-S24 VanDerWaalsContact C-N 3.33Å; V22-S24 PolarHBondContact O-N 3.18Å; V22-H25 PolarHBondContact O-N 3.07Å; V22-L26 HydrophobicContact CG1-CD1 3.84Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.33Å; V22-L26 VanDerWaalsContact O-CG 3.29Å; V22-L26 WeakPolarHBondContact O-CG 3.09Å; V22-L26 PolarHBondContact O-N 3.43Å
23A86.6Confident89.2Confident6 Ų669.8 Ų69.85%0.0538%0.382CS..Hα-helixtrans-61.8-39.9178.100000112.1R19 S20 L26 R27 W157R19-A23 VanDerWaalsContact O-CB 3.26Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 2.85Å; S20-A23 PolarHBondContact O-N 2.89Å; A23-L26 PolarHBondContact O-N 3.41Å; A23-R27 WeakPolarHBondContact O-CG 3.09Å; A23-R27 PolarHBondContact O-N 2.82Å; A23-W157 HydrophobicContact CB-CB 4.48Å
24S86.8Confident89.4Confident45 Ų4568.4 Ų68.432%0.31537%0.366SS..Hα-helixtrans-61.6-51.1174.2-1620000111.4S20 K21 V22 L26 R27 D28S20-S24 WeakPolarHBondContact O-CB 3.29Å; S20-S24 PolarHBondContact O-N 3.39Å; K21-S24 PolarHBondContact O-N 3.38Å; V22-S24 VanDerWaalsContact C-N 3.33Å; V22-S24 PolarHBondContact O-N 3.18Å; S24-L26 VanDerWaalsContact C-N 3.27Å; S24-L26 PolarHBondContact O-N 2.74Å; S24-R27 WeakPolarHBondContact O-CB 3.32Å; S24-R27 PolarHBondContact O-N 3.37Å; S24-R27 VanDerWaalsContact O-N 3.09Å; S24-D28 PolarHBondContact O-N 2.72Å
25H88.5Confident89.4Confident126 Ų12665 Ų6558%0.58336%0.362SS*.Hα-helixtrans-60.6-37.9179.8-175.462.4000112.6K21 V22 D28 T29K21-H25 PolarHBondContact O-N 3.49Å; V22-H25 PolarHBondContact O-N 3.07Å; H25-D28 PolarHBondContact O-N 2.97Å; H25-T29 WeakPolarHBondContact O-CB 3.26Å; H25-T29 PolarHBondContact O-N 2.75Å; H25-T29 PolarHBondContact O-OG1 3.37Å
26L89.3Confident89.5Confident61 Ų6165.3 Ų65.332%0.31937%0.365SS..Hα-helixtrans-65.6-42.6174.6-72.4172000111.9V22 A23 S24 T29 L30 W157V22-L26 HydrophobicContact CG1-CD1 3.84Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.33Å; V22-L26 VanDerWaalsContact O-CG 3.29Å; V22-L26 WeakPolarHBondContact O-CG 3.09Å; V22-L26 PolarHBondContact O-N 3.43Å; A23-L26 PolarHBondContact O-N 3.41Å; S24-L26 VanDerWaalsContact C-N 3.27Å; S24-L26 PolarHBondContact O-N 2.74Å; L26-T29 PolarHBondContact O-N 2.91Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.23Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.25Å; L26-W157 HydrophobicContact CB-CH2 4.07Å; L26-W157 HydrophobicContact CB-CZ2 4.25Å; L26-W157 HydrophobicContact CD1-CH2 3.65Å; L26-W157 HydrophobicContact CD1-CZ3 3.65Å; L26-W157 HydrophobicContact CG-CH2 4.42Å
27R90.7Very high89.7Confident76 Ų7667 Ų6729%0.28737%0.367SS..Hα-helixtrans-62.3-44.9174.5-75.6-172.9-59.3-93.42.6111.8A23 S24 T29 L30 T31 A108A23-R27 WeakPolarHBondContact O-CG 3.09Å; A23-R27 PolarHBondContact O-N 2.82Å; S24-R27 WeakPolarHBondContact O-CB 3.32Å; S24-R27 PolarHBondContact O-N 3.37Å; S24-R27 VanDerWaalsContact O-N 3.09Å; R27-T29 VanDerWaalsContact C-N 3.32Å; R27-T29 PolarHBondContact O-N 3.36Å; R27-L30 PolarHBondContact O-N 3.39Å; R27-T31 WeakPolarHBondContact O-CB 3.42Å; R27-T31 PolarHBondContact O-N 2.7Å; R27-T31 PolarHBondContact O-OG1 3.2Å; R27-A108 VanDerWaalsContact CD-O 3.23Å; R27-A108 WeakPolarHBondContact CD-O 3.34Å
28D90.4Very high89.7Confident94 Ų9467.9 Ų67.950%0.50337%0.371SS..Hα-helixtrans-59.9-47177.9-60.4-23.7000110S24 H25 L30 T31 T32S24-D28 PolarHBondContact O-N 2.72Å; H25-D28 PolarHBondContact O-N 2.97Å; D28-L30 PolarHBondContact O-N 2.75Å; D28-T31 WeakPolarHBondContact O-CB 3.43Å; D28-T31 PolarHBondContact O-N 2.96Å; D28-T32 WeakPolarHBondContact O-CG2 3.28Å; D28-T32 PolarHBondContact O-N 3.1Å
29T91.7Very high89.7Confident62 Ų6271.6 Ų71.638%0.3838%0.383SS..Hα-helixtrans-60.5-47.6177.2-56.10000111.7H25 L26 R27 T31 T32H25-T29 WeakPolarHBondContact O-CB 3.26Å; H25-T29 PolarHBondContact O-N 2.75Å; H25-T29 PolarHBondContact O-OG1 3.37Å; L26-T29 PolarHBondContact O-N 2.91Å; R27-T29 VanDerWaalsContact C-N 3.32Å; R27-T29 PolarHBondContact O-N 3.36Å; T29-T31 VanDerWaalsContact C-N 3.29Å; T29-T31 PolarHBondContact O-N 2.86Å; T29-T32 PolarHBondContact O-N 2.91Å; T29-T32 PolarHBondContact O-OG1 2.85Å
30L92.3Very high89.9Confident28 Ų2869.8 Ų69.815%0.14738%0.379CS..Hα-helixtrans-62.8-37.1177.2-70.9172.3000111.5L26 R27 D28 T32 L33 I58 Y107 W157L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.23Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.25Å; R27-L30 PolarHBondContact O-N 3.39Å; D28-L30 PolarHBondContact O-N 2.75Å; L30-T32 VanDerWaalsContact C-N 3.26Å; L30-T32 PolarHBondContact O-N 2.85Å; L30-L33 HydrophobicContact CD2-CD1 4.18Å; L30-L33 WeakPolarHBondContact O-CB 3.23Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-I58 HydrophobicContact CD2-CD1 3.76Å; L30-I58 HydrophobicContact CD2-CG1 4.35Å; L30-Y107 HydrophobicContact CB-CD1 4.45Å; L30-Y107 WeakPolarHBondContact CB-O 3.14Å; L30-Y107 WeakPolarHBondContact CD1-O 3.48Å; L30-Y107 VanDerWaalsContact O-CD1 3.29Å; L30-Y107 WeakPolarHBondContact O-CD1 3.2Å; L30-W157 HydrophobicContact CD1-CZ2 4.16Å
31T92.7Very high90.1Very high50 Ų5069 Ų6931%0.30737%0.369SS..Hα-helixtrans-60-37.4177.4-55.90000111.5R27 D28 T29 L33 I34 A108R27-T31 WeakPolarHBondContact O-CB 3.42Å; R27-T31 PolarHBondContact O-N 2.7Å; R27-T31 PolarHBondContact O-OG1 3.2Å; D28-T31 WeakPolarHBondContact O-CB 3.43Å; D28-T31 PolarHBondContact O-N 2.96Å; T29-T31 VanDerWaalsContact C-N 3.29Å; T29-T31 PolarHBondContact O-N 2.86Å; T31-L33 PolarHBondContact O-N 3.39Å; T31-L33 VanDerWaalsContact O-N 3.16Å; T31-I34 HydrophobicContact CG2-CD1 4.17Å; T31-I34 WeakPolarHBondContact O-CB 3.34Å; T31-I34 WeakPolarHBondContact O-CG1 3.31Å; T31-I34 PolarHBondContact O-N 2.9Å; T31-I34 VanDerWaalsContact O-N 3.13Å; T31-A108 WeakPolarHBondContact OG1-CB 3.19Å
32T92.7Very high90.2Very high96 Ų9662.9 Ų62.959%0.58934%0.343SS*.THydrogen-bonded Turntrans-66-14.1175.970.90000114.9D28 T29 L30 N36D28-T32 WeakPolarHBondContact O-CG2 3.28Å; D28-T32 PolarHBondContact O-N 3.1Å; T29-T32 PolarHBondContact O-N 2.91Å; T29-T32 PolarHBondContact O-OG1 2.85Å; L30-T32 VanDerWaalsContact C-N 3.26Å; L30-T32 PolarHBondContact O-N 2.85Å; T32-N36 PolarHBondContact O-ND2 2.81Å
33L93.2Very high90.4Very high44 Ų4462.1 Ų62.123%0.2334%0.335CS..THydrogen-bonded Turntrans-86.9-11.7177-60.5178.2000112.7L30 T31 G35 N36 I58 Y107L30-L33 HydrophobicContact CD2-CD1 4.18Å; L30-L33 WeakPolarHBondContact O-CB 3.23Å; L30-L33 PolarHBondContact O-N 3.32Å; T31-L33 PolarHBondContact O-N 3.39Å; T31-L33 VanDerWaalsContact O-N 3.16Å; L33-G35 PolarHBondContact O-N 3Å; L33-N36 WeakPolarHBondContact O-CB 3.4Å; L33-N36 PolarHBondContact O-N 3.42Å; L33-N36 VanDerWaalsContact O-N 3.14Å; L33-I58 HydrophobicContact CD1-CD1 3.87Å; L33-Y107 HydrophobicContact CB-CD1 4.11Å; L33-Y107 HydrophobicContact CB-CE1 3.81Å
34I92.8Very high90.8Very high32 Ų3261.9 Ų61.916%0.16433%0.333CS..THydrogen-bonded Turntrans-69.8126-178.9-57.8170.8000109.1T31 N36 V103 H104 Y107T31-I34 HydrophobicContact CG2-CD1 4.17Å; T31-I34 WeakPolarHBondContact O-CB 3.34Å; T31-I34 WeakPolarHBondContact O-CG1 3.31Å; T31-I34 PolarHBondContact O-N 2.9Å; T31-I34 VanDerWaalsContact O-N 3.13Å; I34-N36 PolarHBondContact O-N 2.83Å; I34-N36 VanDerWaalsContact O-N 3.15Å; I34-V103 HydrophobicContact CG1-CG1 4.45Å; I34-V103 HydrophobicContact CG2-CG1 3.85Å; I34-H104 WeakPolarHBondContact CD1-ND1 3.12Å; I34-H104 VanDerWaalsContact CG2-CE1 3.5Å; I34-H104 WeakPolarHBondContact CG2-CE1 3.42Å; I34-Y107 HydrophobicContact CD1-CG 4.33Å; I34-Y107 HydrophobicContact CG1-CD1 3.92Å; I34-Y107 HydrophobicContact CG1-CD2 4.36Å; I34-Y107 HydrophobicContact CG1-CG 3.74Å
35G89Confident91.1Very high43 Ų4364.3 Ų64.344%0.44334%0.335SS..THydrogen-bonded Turntrans70.51.1-175.300000114.1L33 P53L33-G35 PolarHBondContact O-N 3Å; G35-P53 WeakPolarHBondContact O-CG 3.36Å
36N90Very high91.4Very high49 Ų4958.6 Ų58.626%0.26231%0.309SS..  trans-84.6119.6179.1-165.2-25.3000110.1T32 L33 I34 N38T32-N36 PolarHBondContact O-ND2 2.81Å; L33-N36 WeakPolarHBondContact O-CB 3.4Å; L33-N36 PolarHBondContact O-N 3.42Å; L33-N36 VanDerWaalsContact O-N 3.14Å; I34-N36 PolarHBondContact O-N 2.83Å; I34-N36 VanDerWaalsContact O-N 3.15Å; N36-N38 VanDerWaalsContact C-N 3.25Å; N36-N38 PolarHBondContact O-N 3.37Å; N36-N38 VanDerWaalsContact OD1-CB 3.25Å; N36-N38 WeakPolarHBondContact OD1-CB 3.36Å; N36-N38 PolarHBondContact OD1-N 2.95Å; N36-N38 PolarHBondContact OD1-ND2 3.48Å
37D90.7Very high91.5Very high92 Ų9263.3 Ų63.349%0.49233%0.327SS..  trans-72.7-17178.9-81.4-31.8000114F39 A40 P53 K86D37-F39 PolarHBondContact O-N 3.15Å; D37-A40 PolarHBondContact O-N 3.48Å; D37-P53 WeakPolarHBondContact OD1-CB 3.44Å; D37-P53 WeakPolarHBondContact OD1-CG 2.87Å; D37-K86 IonicContact OD1-NZ 3.54Å; D37-K86 PolarHBondContact OD1-NZ 2.97Å; D37-K86 IonicContact OD2-NZ 3.93Å
38N88Confident91.7Very high102 Ų10264.4 Ų64.455%0.54534%0.339SS..THydrogen-bonded Turntrans-66.2122.8-178.3-67-55.4000110.1N36 A40 H55N36-N38 VanDerWaalsContact C-N 3.25Å; N36-N38 PolarHBondContact O-N 3.37Å; N36-N38 VanDerWaalsContact OD1-CB 3.25Å; N36-N38 WeakPolarHBondContact OD1-CB 3.36Å; N36-N38 PolarHBondContact OD1-N 2.95Å; N36-N38 PolarHBondContact OD1-ND2 3.48Å; N38-A40 PolarHBondContact O-N 3.31Å; N38-A40 VanDerWaalsContact O-N 3.15Å; N38-H55 PolarHBondContact O-NE2 3.23Å
39F87.3Confident91.7Very high190 Ų19061.9 Ų61.983%0.83334%0.335SS*.THydrogen-bonded Turntrans64.26.6-178.9-44-77000115.4D37 D41 H55D37-F39 PolarHBondContact O-N 3.15Å; F39-D41 PolarHBondContact O-N 3.25Å; F39-H55 PolarHBondContact O-CD2 3.23Å
40A91.7Very high91.8Very high11 Ų1162.5 Ų62.59%0.09134%0.336CS..  trans-66.4120.8170.900000109.6D37 N38 P53 A54D37-A40 PolarHBondContact O-N 3.48Å; N38-A40 PolarHBondContact O-N 3.31Å; N38-A40 VanDerWaalsContact O-N 3.15Å; A40-P53 HydrophobicContact CB-CB 3.61Å; A40-A54 WeakPolarHBondContact CA-O 3.48Å
41D90.2Very high91.8Very high54 Ų5463 Ų6329%0.28934%0.341SS..  trans-99-5.5177.161.2-14.5000112.5F39 A54 H55 S56 T87F39-D41 PolarHBondContact O-N 3.25Å; D41-A54 PolarHBondContact N-O 3.34Å; D41-H55 WeakPolarHBondContact OD1-CA 3.5Å; D41-S56 WeakPolarHBondContact OD1-CB 3.24Å; D41-S56 PolarHBondContact OD1-N 3.43Å; D41-S56 WeakPolarHBondContact OD2-CB 3.35Å; D41-S56 PolarHBondContact OD2-OG 2.87Å; D41-T87 PolarHBondContact O-N 3.47Å; D41-T87 VanDerWaalsContact O-N 3.15Å
42L91.6Very high91.8Very high0 Ų062 Ų620%033%0.334CS..EExtended strand (participates in β ladder)trans-131155.7178.9-61.3173000111.2A54 L59 V71 F75 T87 V89L42-A54 HydrophobicContact CB-CB 4.27Å; L42-A54 PolarHBondContact N-O 3.1Å; L42-A54 VanDerWaalsContact N-O 3.15Å; L42-A54 PolarHBondContact O-N 2.98Å; L42-L59 HydrophobicContact CD1-CD1 3.85Å; L42-V71 HydrophobicContact CD1-CG1 3.73Å; L42-V71 HydrophobicContact CD1-CG2 4.42Å; L42-V71 HydrophobicContact CD2-CG1 3.86Å; L42-V71 HydrophobicContact CG-CG1 4.48Å; L42-F75 HydrophobicContact CD2-CD2 3.57Å; L42-F75 HydrophobicContact CD2-CE2 3.54Å; L42-F75 HydrophobicContact CG-CE2 4.28Å; L42-T87 CarbonylContact C-O 3.14Å; L42-T87 WeakPolarHBondContact CA-O 3.05Å; L42-T87 HydrophobicContact CD2-CG2 4.04Å; L42-V89 HydrophobicContact CD2-CG2 4.34Å
43E93.1Very high91.9Very high44 Ų4457.9 Ų57.921%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-130.6116.3166.3-169.9176.1107.400108.9C51 L52 T87 V88 V89E43-C51 HydrophobicContact CG-CB 3.64Å; E43-C51 WeakPolarHBondContact OE1-CB 3.41Å; E43-C51 PolarHBondContact OE1-SG 3.07Å; E43-L52 CarbonylContact C-O 3.6Å; E43-L52 WeakPolarHBondContact CA-O 3.24Å; E43-T87 PolarHBondContact N-O 3.32Å; E43-V88 HydrophobicContact CB-CG2 4.3Å; E43-V88 CarbonylContact O-C 3.56Å; E43-V88 WeakPolarHBondContact O-CA 2.73Å; E43-V89 PolarHBondContact O-N 3.33Å
44L93.5Very high91.9Very high0 Ų055.8 Ų55.80%030%0.298CS..EExtended strand (participates in β ladder)trans-85.9118.9177.5-57.4-178.1000108.7C51 L52 A54 L59 F66 V89 V91 L99 V103L44-C51 CarbonylContact O-C 3.5Å; L44-C51 WeakPolarHBondContact O-CA 3.44Å; L44-L52 PolarHBondContact N-O 3.3Å; L44-L52 PolarHBondContact O-N 3.36Å; L44-A54 HydrophobicContact CD1-CB 4.07Å; L44-A54 HydrophobicContact CG-CB 3.94Å; L44-L59 HydrophobicContact CD1-CD1 4.47Å; L44-L59 HydrophobicContact CD2-CD1 4.47Å; L44-F66 HydrophobicContact CD1-CE1 4.33Å; L44-F66 HydrophobicContact CD1-CZ 4.24Å; L44-F66 HydrophobicContact CD2-CE1 4.21Å; L44-F66 HydrophobicContact CD2-CZ 4.16Å; L44-V89 HydrophobicContact CD2-CB 3.99Å; L44-V89 HydrophobicContact CD2-CG1 4.38Å; L44-V91 HydrophobicContact CB-CG2 4.43Å; L44-V91 HydrophobicContact CD2-CG2 4.41Å; L44-L99 HydrophobicContact CB-CD1 4.13Å; L44-L99 HydrophobicContact CB-CD2 3.95Å; L44-L99 HydrophobicContact CD1-CD1 4.05Å; L44-V103 HydrophobicContact CD1-CG2 4.04Å
45R93.9Very high91.9Very high97 Ų9754.8 Ų54.837%0.36629%0.293SS..EExtended strand (participates in β ladder)trans-101.8116.9177.3-174.5177.3-59.7172.60.2110.4L50 C51 V88 V89 N90 V91R45-L50 CarbonylContact C-O 3.38Å; R45-L50 WeakPolarHBondContact CA-O 3.14Å; R45-C51 PolarHBondContact NE-SG 3Å; R45-C51 VanDerWaalsContact NE-SG 3.42Å; R45-V88 HydrophobicContact CB-CG1 4.16Å; R45-V89 PolarHBondContact N-O 2.95Å; R45-N90 WeakPolarHBondContact CD-OD1 3.38Å; R45-V91 PolarHBondContact O-N 3.17Å
46S94.1Very high92Very high6 Ų653 Ų534%0.04227%0.273CS..PPolyproline II helixtrans-67.6169.6173.257.90000112.8D48 G49 L50S46-D48 VanDerWaalsContact C-N 3.31Å; S46-D48 VanDerWaalsContact CB-OD1 3.26Å; S46-D48 WeakPolarHBondContact CB-OD1 3.37Å; S46-D48 PolarHBondContact O-N 2.93Å; S46-D48 PolarHBondContact OG-OD1 2.91Å; S46-G49 PolarHBondContact O-N 3.5Å; S46-G49 VanDerWaalsContact O-N 3.13Å; S46-G49 PolarHBondContact OG-N 3.49Å; S46-L50 PolarHBondContact N-O 3.11Å; S46-L50 WeakPolarHBondContact OG-CA 3.21Å; S46-L50 VanDerWaalsContact OG-CB 3.29Å; S46-L50 WeakPolarHBondContact OG-CB 3.36Å; S46-L50 PolarHBondContact OG-N 3.26Å; S46-L50 PolarHBondContact OG-O 2.91Å
47K92.5Very high92.1Very high160 Ų16054.1 Ų54.170%0.69628%0.284SS*.THydrogen-bonded Turntrans-60.4-36.4178-177.6-177.5176.2-176.70113.6G49 M94K47-G49 VanDerWaalsContact C-N 3.32Å; K47-M94 VanDerWaalsContact CB-O 3.26Å; K47-M94 WeakPolarHBondContact CB-O 3.06Å; K47-M94 PolarHBondContact N-O 3.47Å
48D93.6Very high92.2Very high98 Ų9850.6 Ų50.652%0.52427%0.265SS..THydrogen-bonded Turntrans-87.6-0.7178.155.8-31.1000113.1S46 S96S46-D48 VanDerWaalsContact C-N 3.31Å; S46-D48 VanDerWaalsContact CB-OD1 3.26Å; S46-D48 WeakPolarHBondContact CB-OD1 3.37Å; S46-D48 PolarHBondContact O-N 2.93Å; S46-D48 PolarHBondContact OG-OD1 2.91Å; D48-S96 PolarHBondContact OD1-N 2.92Å; D48-S96 WeakPolarHBondContact OD2-CB 3.37Å; D48-S96 PolarHBondContact OD2-N 2.97Å; D48-S96 PolarHBondContact OD2-OG 3.5Å
49G91.5Very high92.4Very high42 Ų4245.8 Ų45.843%0.43324%0.239SC..  trans96.21.2168.900000115.2S46 K47 C51S46-G49 PolarHBondContact O-N 3.5Å; S46-G49 VanDerWaalsContact O-N 3.13Å; S46-G49 PolarHBondContact OG-N 3.49Å; K47-G49 VanDerWaalsContact C-N 3.32Å; G49-C51 PolarHBondContact O-N 3.21Å
50L92.9Very high92.6Very high74 Ų7441.5 Ų41.539%0.38722%0.218SC..  trans-61.3130.8168.5-179.374.1000109.5R45 S46 L52R45-L50 CarbonylContact C-O 3.38Å; R45-L50 WeakPolarHBondContact CA-O 3.14Å; S46-L50 PolarHBondContact N-O 3.11Å; S46-L50 WeakPolarHBondContact OG-CA 3.21Å; S46-L50 VanDerWaalsContact OG-CB 3.29Å; S46-L50 WeakPolarHBondContact OG-CB 3.36Å; S46-L50 PolarHBondContact OG-N 3.26Å; S46-L50 PolarHBondContact OG-O 2.91Å; L50-L52 HydrophobicContact CD2-CD1 4.3Å; L50-L52 HydrophobicContact CD2-CD2 4.27Å; L50-L52 HydrophobicContact CD2-CG 4.13Å; L50-L52 HydrophobicContact CG-CG 4.4Å
51C92.7Very high92.4Very high40 Ų4045.9 Ų45.927%0.2725%0.246SC..EExtended strand (participates in β ladder)trans-106129.5175.4-74.60000110.4E43 L44 R45 G49E43-C51 HydrophobicContact CG-CB 3.64Å; E43-C51 WeakPolarHBondContact OE1-CB 3.41Å; E43-C51 PolarHBondContact OE1-SG 3.07Å; L44-C51 CarbonylContact O-C 3.5Å; L44-C51 WeakPolarHBondContact O-CA 3.44Å; R45-C51 PolarHBondContact NE-SG 3Å; R45-C51 VanDerWaalsContact NE-SG 3.42Å; G49-C51 PolarHBondContact O-N 3.21Å
52L93.3Very high92.4Very high27 Ų2746 Ų4614%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-121.4123176.8-71.9175.4000110.4E43 L44 L50 L99 V103E43-L52 CarbonylContact C-O 3.6Å; E43-L52 WeakPolarHBondContact CA-O 3.24Å; L44-L52 PolarHBondContact N-O 3.3Å; L44-L52 PolarHBondContact O-N 3.36Å; L50-L52 HydrophobicContact CD2-CD1 4.3Å; L50-L52 HydrophobicContact CD2-CD2 4.27Å; L50-L52 HydrophobicContact CD2-CG 4.13Å; L50-L52 HydrophobicContact CG-CG 4.4Å; L52-L99 HydrophobicContact CD1-CD2 4.11Å; L52-L99 HydrophobicContact CD1-CG 4.03Å; L52-V103 HydrophobicContact CD1-CG2 4.46Å
53P93.7Very high92.4Very high10 Ų1046.1 Ų46.17%0.06524%0.244CC..EExtended strand (participates in β ladder)trans-63140173.227.1-34.6000110.8G35 D37 A40G35-P53 WeakPolarHBondContact O-CG 3.36Å; D37-P53 WeakPolarHBondContact OD1-CB 3.44Å; D37-P53 WeakPolarHBondContact OD1-CG 2.87Å; A40-P53 HydrophobicContact CB-CB 3.61Å
54A93.8Very high92.2Very high1 Ų146 Ų461%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-142.6164.518000000111.6A40 D41 L42 L44 L59A40-A54 WeakPolarHBondContact CA-O 3.48Å; D41-A54 PolarHBondContact N-O 3.34Å; L42-A54 HydrophobicContact CB-CB 4.27Å; L42-A54 PolarHBondContact N-O 3.1Å; L42-A54 VanDerWaalsContact N-O 3.15Å; L42-A54 PolarHBondContact O-N 2.98Å; L44-A54 HydrophobicContact CD1-CB 4.07Å; L44-A54 HydrophobicContact CG-CB 3.94Å; A54-L59 HydrophobicContact CB-CD1 4.12Å
55H92.7Very high92Very high11 Ų1148.9 Ų48.95%0.05126%0.26CS..  trans-116.3117.4-177.2-53.982.5000109.3N38 F39 D41 C57 I58 L59 Y107N38-H55 PolarHBondContact O-NE2 3.23Å; F39-H55 PolarHBondContact O-CD2 3.23Å; D41-H55 WeakPolarHBondContact OD1-CA 3.5Å; H55-C57 PolarHBondContact O-N 3.49Å; H55-I58 HydrophobicContact CB-CB 4.3Å; H55-I58 HydrophobicContact CB-CD1 3.91Å; H55-I58 HydrophobicContact CB-CG1 4.07Å; H55-I58 PolarHBondContact O-N 3.05Å; H55-I58 VanDerWaalsContact O-N 3.08Å; H55-L59 PolarHBondContact O-N 2.82Å; H55-L59 VanDerWaalsContact O-N 3.14Å; H55-Y107 PolarHBondContact N-OH 2.97Å; H55-Y107 AromaticContact ND1-CE1 3.72Å; H55-Y107 AromaticContact ND1-CZ 3.7Å; H55-Y107 PolarHBondContact ND1-OH 3.49Å
56S91.6Very high91.8Very high4 Ų444.3 Ų44.33%0.02824%0.243CC..Hα-helixtrans-58.9-34.8-176.676.50000112.1D41 L59 R60D41-S56 WeakPolarHBondContact OD1-CB 3.24Å; D41-S56 PolarHBondContact OD1-N 3.43Å; D41-S56 WeakPolarHBondContact OD2-CB 3.35Å; D41-S56 PolarHBondContact OD2-OG 2.87Å; S56-L59 PolarHBondContact O-N 2.9Å; S56-R60 WeakPolarHBondContact O-CB 3.21Å; S56-R60 VanDerWaalsContact O-CG 3.32Å; S56-R60 WeakPolarHBondContact O-CG 3.2Å; S56-R60 PolarHBondContact O-N 2.9Å; S56-R60 PolarHBondContact OG-NH2 3.43Å
57C91.3Very high91.6Very high73 Ų7345 Ų4549%0.49325%0.245SC..Hα-helixtrans-63.2-41.9177.157.20000112.3H55 C61H55-C57 PolarHBondContact O-N 3.49Å; C57-C61 PolarHBondContact O-N 3.46Å; C57-C61 PolarHBondContact O-SG 3.4Å
58I92.9Very high91.4Very high19 Ų1940.8 Ų40.810%0.09724%0.236CC..Hα-helixtrans-69.1-46179.8-64175000109.7L30 L33 H55 R60 C61 R62 V106 Y107L30-I58 HydrophobicContact CD2-CD1 3.76Å; L30-I58 HydrophobicContact CD2-CG1 4.35Å; L33-I58 HydrophobicContact CD1-CD1 3.87Å; H55-I58 HydrophobicContact CB-CB 4.3Å; H55-I58 HydrophobicContact CB-CD1 3.91Å; H55-I58 HydrophobicContact CB-CG1 4.07Å; H55-I58 PolarHBondContact O-N 3.05Å; H55-I58 VanDerWaalsContact O-N 3.08Å; I58-R60 PolarHBondContact O-N 2.92Å; I58-C61 PolarHBondContact O-N 3.29Å; I58-R62 WeakPolarHBondContact O-CB 3.48Å; I58-R62 PolarHBondContact O-N 2.83Å; I58-V106 HydrophobicContact CG2-CG1 4.03Å; I58-Y107 HydrophobicContact CB-CE1 4.45Å; I58-Y107 HydrophobicContact CD1-CD1 3.79Å; I58-Y107 HydrophobicContact CD1-CE1 3.23Å; I58-Y107 HydrophobicContact CG1-CE1 4.39Å; I58-Y107 HydrophobicContact CG2-CD1 4.23Å; I58-Y107 HydrophobicContact CG2-CD2 4.07Å; I58-Y107 HydrophobicContact CG2-CE1 4.14Å; I58-Y107 HydrophobicContact CG2-CE2 3.95Å; I58-Y107 HydrophobicContact CG2-CG 4.23Å
59L92.5Very high91Very high1 Ų140.6 Ų40.61%0.00524%0.241CC..Hα-helixtrans-61-43.9177.6-71.1170.4000112.2L42 L44 A54 H55 S56 C61 R62 A63 F66 F67 F102 V106L42-L59 HydrophobicContact CD1-CD1 3.85Å; L44-L59 HydrophobicContact CD1-CD1 4.47Å; L44-L59 HydrophobicContact CD2-CD1 4.47Å; A54-L59 HydrophobicContact CB-CD1 4.12Å; H55-L59 PolarHBondContact O-N 2.82Å; H55-L59 VanDerWaalsContact O-N 3.14Å; S56-L59 PolarHBondContact O-N 2.9Å; L59-C61 VanDerWaalsContact C-N 3.26Å; L59-C61 PolarHBondContact O-N 3.36Å; L59-R62 PolarHBondContact O-N 2.64Å; L59-A63 CarbonylContact O-C 3.59Å; L59-A63 WeakPolarHBondContact O-CA 3.28Å; L59-A63 PolarHBondContact O-N 3.15Å; L59-F66 HydrophobicContact CD1-CE1 4.19Å; L59-F66 HydrophobicContact CD2-CD1 4Å; L59-F66 HydrophobicContact CD2-CE1 4.07Å; L59-F67 HydrophobicContact CB-CD2 3.94Å; L59-F102 HydrophobicContact CD2-CE1 4.27Å; L59-V106 HydrophobicContact CD2-CG1 4.06Å
60R90.5Very high90.6Very high100 Ų10040.1 Ų40.138%0.37723%0.229SC..Hα-helixtrans-56.7-40.5174.9-79.2-175.2-157122.920112.6S56 I58 F67S56-R60 WeakPolarHBondContact O-CB 3.21Å; S56-R60 VanDerWaalsContact O-CG 3.32Å; S56-R60 WeakPolarHBondContact O-CG 3.2Å; S56-R60 PolarHBondContact O-N 2.9Å; S56-R60 PolarHBondContact OG-NH2 3.43Å; I58-R60 PolarHBondContact O-N 2.92Å; R60-F67 HydrophobicContact CB-CD2 4.47Å; R60-F67 HydrophobicContact CB-CG 4.41Å; R60-F67 HydrophobicContact CG-CD1 3.51Å; R60-F67 HydrophobicContact CG-CD2 3.56Å; R60-F67 HydrophobicContact CG-CE1 3.51Å; R60-F67 HydrophobicContact CG-CE2 3.56Å; R60-F67 HydrophobicContact CG-CG 3.55Å; R60-F67 HydrophobicContact CG-CZ 3.57Å
61C89.3Confident90Very high103 Ų10336.6 Ų36.670%0.69621%0.21SC*.Hα-helixtrans-79.5-31.2-176.6-69.60000113.5C57 I58 L59C57-C61 PolarHBondContact O-N 3.46Å; C57-C61 PolarHBondContact O-SG 3.4Å; I58-C61 PolarHBondContact O-N 3.29Å; L59-C61 VanDerWaalsContact C-N 3.26Å; L59-C61 PolarHBondContact O-N 3.36Å
62R89.4Confident88.8Confident56 Ų5635.6 Ų35.621%0.21121%0.207CC..Hα-helixtrans-115.5-19.7-168.3-67.5-62.3-17067.728.1115.2I58 L59 V106I58-R62 WeakPolarHBondContact O-CB 3.48Å; I58-R62 PolarHBondContact O-N 2.83Å; L59-R62 PolarHBondContact O-N 2.64Å; R62-V106 HydrophobicContact CB-CG1 3.85Å; R62-V106 PolarHBondContact NH1-O 3.46Å
63A91.1Very high87.3Confident3 Ų338.8 Ų38.83%0.02523%0.227CC..  trans-139.662.8176.100000109.1L59 E65 F66 F67 F102 V106 F150L59-A63 CarbonylContact O-C 3.59Å; L59-A63 WeakPolarHBondContact O-CA 3.28Å; L59-A63 PolarHBondContact O-N 3.15Å; A63-E65 VanDerWaalsContact C-N 3.27Å; A63-E65 PolarHBondContact O-N 2.74Å; A63-F66 HydrophobicContact CB-CB 3.85Å; A63-F66 PolarHBondContact O-N 3.22Å; A63-F67 WeakPolarHBondContact O-CB 3.15Å; A63-F67 PolarHBondContact O-N 3.36Å; A63-F102 HydrophobicContact CB-CE2 4.47Å; A63-F102 HydrophobicContact CB-CZ 3.92Å; A63-V106 HydrophobicContact CB-CG2 4.07Å; A63-F150 HydrophobicContact CB-CZ 4.43Å
64P89.4Confident85.7Confident40 Ų4041.7 Ų41.726%0.2624%0.242SC..Hα-helixtrans-61.1-35.3-172.724.4-34.3000112.7S68P64-S68 WeakPolarHBondContact O-CB 3.48Å; P64-S68 PolarHBondContact O-N 2.81Å; P64-S68 PolarHBondContact O-OG 3.3Å
65E88.8Confident84.1Confident61 Ų6142.5 Ų42.529%0.28525%0.246SC..Hα-helixtrans-68-50.5176.4-63.6-173.9-163.300110.6A63 F67 S68 C69 S149 T152A63-E65 VanDerWaalsContact C-N 3.27Å; A63-E65 PolarHBondContact O-N 2.74Å; E65-F67 VanDerWaalsContact C-N 3.29Å; E65-F67 PolarHBondContact O-N 2.91Å; E65-S68 PolarHBondContact O-N 2.74Å; E65-S68 VanDerWaalsContact O-N 3.17Å; E65-C69 WeakPolarHBondContact O-CB 3.3Å; E65-C69 PolarHBondContact O-N 2.87Å; E65-C69 PolarHBondContact O-SG 2.95Å; E65-C69 VanDerWaalsContact O-SG 3.33Å; E65-S149 WeakPolarHBondContact OE2-CA 3.42Å; E65-T152 PolarHBondContact OE1-OG1 3.28Å
66F90.6Very high82.3Confident1 Ų150.4 Ų50.40%0.00428%0.283CS..Hα-helixtrans-55.2-45.6173.3174.9-92.5000111.7L44 L59 A63 C69 N70 V71 V91 F102 Y145L44-F66 HydrophobicContact CD1-CE1 4.33Å; L44-F66 HydrophobicContact CD1-CZ 4.24Å; L44-F66 HydrophobicContact CD2-CE1 4.21Å; L44-F66 HydrophobicContact CD2-CZ 4.16Å; L59-F66 HydrophobicContact CD1-CE1 4.19Å; L59-F66 HydrophobicContact CD2-CD1 4Å; L59-F66 HydrophobicContact CD2-CE1 4.07Å; A63-F66 HydrophobicContact CB-CB 3.85Å; A63-F66 PolarHBondContact O-N 3.22Å; F66-C69 PolarHBondContact O-N 3.46Å; F66-N70 WeakPolarHBondContact CD2-ND2 3.34Å; F66-N70 HydrophobicContact CE2-CB 4.3Å; F66-N70 HydrophobicContact CZ-CB 4.32Å; F66-N70 WeakPolarHBondContact O-CB 3.17Å; F66-N70 PolarHBondContact O-N 3.12Å; F66-N70 PolarHBondContact O-ND2 2.71Å; F66-V71 HydrophobicContact CE1-CG2 4.15Å; F66-V91 HydrophobicContact CE2-CG1 4.22Å; F66-V91 HydrophobicContact CE2-CG2 4.22Å; F66-V91 HydrophobicContact CZ-CG2 3.93Å; F66-F102 HydrophobicContact CB-CZ 3.96Å; F66-F102 HydrophobicContact CD1-CE1 4Å; F66-F102 AromaticContact CD1-CZ 3.97Å; F66-F102 HydrophobicContact CD1-CZ 3.97Å; F66-F102 HydrophobicContact CD2-CE1 4.01Å; F66-F102 AromaticContact CD2-CZ 3.81Å; F66-F102 HydrophobicContact CD2-CZ 3.81Å; F66-F102 HydrophobicContact CE1-CE1 4.02Å; F66-F102 HydrophobicContact CE1-CZ 4.44Å; F66-F102 HydrophobicContact CE2-CE1 4.02Å; F66-F102 HydrophobicContact CE2-CZ 4.3Å; F66-F102 HydrophobicContact CG-CE1 4Å; F66-F102 AromaticContact CG-CZ 3.62Å; F66-F102 HydrophobicContact CG-CZ 3.62Å; F66-F102 HydrophobicContact CZ-CE1 4.02Å; F66-Y145 HydrophobicContact CB-CE1 4.38Å; F66-Y145 AromaticContact CD2-CE1 3.58Å; F66-Y145 HydrophobicContact CD2-CE1 3.58Å; F66-Y145 AromaticContact CD2-CZ 3.83Å; F66-Y145 WeakPolarHBondContact CD2-OH 3.36Å; F66-Y145 HydrophobicContact CE2-CE1 4.38Å; F66-Y145 HydrophobicContact CG-CE1 4.44Å
67F90.3Very high80.3Confident21 Ų2159.4 Ų59.49%0.09232%0.316CS..Iπ-helixtrans-59.5-49.8178.5-176.2-87.6000110.3L59 R60 A63 E65 C69 V71 G72L59-F67 HydrophobicContact CB-CD2 3.94Å; R60-F67 HydrophobicContact CB-CD2 4.47Å; R60-F67 HydrophobicContact CB-CG 4.41Å; R60-F67 HydrophobicContact CG-CD1 3.51Å; R60-F67 HydrophobicContact CG-CD2 3.56Å; R60-F67 HydrophobicContact CG-CE1 3.51Å; R60-F67 HydrophobicContact CG-CE2 3.56Å; R60-F67 HydrophobicContact CG-CG 3.55Å; R60-F67 HydrophobicContact CG-CZ 3.57Å; A63-F67 WeakPolarHBondContact O-CB 3.15Å; A63-F67 PolarHBondContact O-N 3.36Å; E65-F67 VanDerWaalsContact C-N 3.29Å; E65-F67 PolarHBondContact O-N 2.91Å; F67-C69 PolarHBondContact O-N 3.49Å; F67-V71 HydrophobicContact CD2-CB 3.81Å; F67-V71 HydrophobicContact CD2-CG1 3.97Å; F67-V71 HydrophobicContact CD2-CG2 4.17Å; F67-V71 HydrophobicContact CE2-CB 3.79Å; F67-V71 HydrophobicContact CE2-CG1 3.45Å; F67-V71 VanDerWaalsContact CE2-CG1 3.45Å; F67-V71 HydrophobicContact CE2-CG2 4.48Å; F67-V71 HydrophobicContact CG-CB 4.31Å; F67-V71 HydrophobicContact CZ-CB 4.25Å; F67-V71 HydrophobicContact CZ-CG1 3.91Å; F67-V71 CarbonylContact O-C 3.55Å; F67-V71 WeakPolarHBondContact O-CA 3.38Å; F67-V71 WeakPolarHBondContact O-CB 3.22Å; F67-V71 PolarHBondContact O-N 3.16Å; F67-G72 PolarHBondContact O-N 3.22Å
68S86.8Confident78.4Confident72 Ų7260.6 Ų60.650%0.50331%0.314SS..Iπ-helixtrans-64.4-42.9-177.5-56.40000112P64 E65P64-S68 WeakPolarHBondContact O-CB 3.48Å; P64-S68 PolarHBondContact O-N 2.81Å; P64-S68 PolarHBondContact O-OG 3.3Å; E65-S68 PolarHBondContact O-N 2.74Å; E65-S68 VanDerWaalsContact O-N 3.17Å
69C85Confident76.6Confident93 Ų9367 Ų6763%0.62834%0.341SS*.Iπ-helixtrans-74.4-39.1-176.4-660000113.7E65 F66 F67E65-C69 WeakPolarHBondContact O-CB 3.3Å; E65-C69 PolarHBondContact O-N 2.87Å; E65-C69 PolarHBondContact O-SG 2.95Å; E65-C69 VanDerWaalsContact O-SG 3.33Å; F66-C69 PolarHBondContact O-N 3.46Å; F67-C69 PolarHBondContact O-N 3.49Å
70N83.7Confident74.5Confident33 Ų3371.7 Ų71.718%0.17637%0.374CS..Iπ-helixtrans-107.2-34.4-169.9-56.4-83.9000113.1F66 N74 V89 Y145F66-N70 WeakPolarHBondContact CD2-ND2 3.34Å; F66-N70 HydrophobicContact CE2-CB 4.3Å; F66-N70 HydrophobicContact CZ-CB 4.32Å; F66-N70 WeakPolarHBondContact O-CB 3.17Å; F66-N70 PolarHBondContact O-N 3.12Å; F66-N70 PolarHBondContact O-ND2 2.71Å; N70-N74 PolarHBondContact O-ND2 3.37Å; N70-V89 HydrophobicContact CB-CG1 4.08Å; N70-V89 WeakPolarHBondContact O-CG1 3.36Å; N70-Y145 PolarHBondContact ND2-OH 3.49Å
71V80.5Confident72.6Confident0 Ų071.8 Ų71.80%039%0.386CS..Iπ-helixtrans-104.4-48.5-171.2-172.40000111.4L42 F66 F67 V73 N74 F75 V89L42-V71 HydrophobicContact CD1-CG1 3.73Å; L42-V71 HydrophobicContact CD1-CG2 4.42Å; L42-V71 HydrophobicContact CD2-CG1 3.86Å; L42-V71 HydrophobicContact CG-CG1 4.48Å; F66-V71 HydrophobicContact CE1-CG2 4.15Å; F67-V71 HydrophobicContact CD2-CB 3.81Å; F67-V71 HydrophobicContact CD2-CG1 3.97Å; F67-V71 HydrophobicContact CD2-CG2 4.17Å; F67-V71 HydrophobicContact CE2-CB 3.79Å; F67-V71 HydrophobicContact CE2-CG1 3.45Å; F67-V71 VanDerWaalsContact CE2-CG1 3.45Å; F67-V71 HydrophobicContact CE2-CG2 4.48Å; F67-V71 HydrophobicContact CG-CB 4.31Å; F67-V71 HydrophobicContact CZ-CB 4.25Å; F67-V71 HydrophobicContact CZ-CG1 3.91Å; F67-V71 CarbonylContact O-C 3.55Å; F67-V71 WeakPolarHBondContact O-CA 3.38Å; F67-V71 WeakPolarHBondContact O-CB 3.22Å; F67-V71 PolarHBondContact O-N 3.16Å; V71-V73 VanDerWaalsContact C-N 3.28Å; V71-V73 PolarHBondContact O-N 3.13Å; V71-N74 PolarHBondContact O-N 3.15Å; V71-F75 HydrophobicContact CG1-CB 4.14Å; V71-F75 HydrophobicContact CG1-CD2 4.28Å; V71-F75 HydrophobicContact CG1-CG 4.42Å; V71-F75 WeakPolarHBondContact O-CB 3.36Å; V71-F75 PolarHBondContact O-N 2.68Å; V71-V89 HydrophobicContact CG1-CG2 4.33Å; V71-V89 HydrophobicContact CG2-CG1 4.32Å; V71-V89 HydrophobicContact CG2-CG2 4.22Å
72G68.6Low70.5Confident19 Ų1970.4 Ų70.420%0.19638%0.377CS..Iπ-helixtrans-56.3-40-171.300000113.1F67 N74F67-G72 PolarHBondContact O-N 3.22Å; G72-N74 PolarHBondContact O-N 3.14Å
73V61.9Low68.8Low94 Ų9473.3 Ų73.357%0.5741%0.405SS*.Hα-helixtrans-61.4-31.6177.6-1740000112.6V71V71-V73 VanDerWaalsContact C-N 3.28Å; V71-V73 PolarHBondContact O-N 3.13Å
74N59.2Low67.2Low71 Ų7182.3 Ų82.338%0.3844%0.444SS..Hα-helixtrans-99.5-30.6-175-63.1-49.5000112.8N70 V71 G72 E76 R77 E78N70-N74 PolarHBondContact O-ND2 3.37Å; V71-N74 PolarHBondContact O-N 3.15Å; G72-N74 PolarHBondContact O-N 3.14Å; N74-E76 PolarHBondContact O-N 2.82Å; N74-R77 PolarHBondContact O-N 3Å; N74-E78 PolarHBondContact O-N 3.29Å
75F60.7Low66Low18 Ų1886 Ų868%0.07946%0.462CS..Hα-helixtrans-73.4-27.8-171.9-159.2-104000113.8L42 V71 R77 K79 T87L42-F75 HydrophobicContact CD2-CD2 3.57Å; L42-F75 HydrophobicContact CD2-CE2 3.54Å; L42-F75 HydrophobicContact CG-CE2 4.28Å; V71-F75 HydrophobicContact CG1-CB 4.14Å; V71-F75 HydrophobicContact CG1-CD2 4.28Å; V71-F75 HydrophobicContact CG1-CG 4.42Å; V71-F75 WeakPolarHBondContact O-CB 3.36Å; V71-F75 PolarHBondContact O-N 2.68Å; F75-R77 VanDerWaalsContact C-N 3.31Å; F75-K79 HydrophobicContact CD1-CD 4.46Å; F75-K79 HydrophobicContact CE1-CD 4.28Å; F75-T87 HydrophobicContact CD2-CG2 4.47Å
76E54.3Low65.5Low177 Ų17786.2 Ų86.283%0.82746%0.461SS*.Hα-helixtrans-74.8-23.3174.3-68.8-172.2168.500112.5N74N74-E76 PolarHBondContact O-N 2.82Å
77R49Very low65.3Low193 Ų19386.7 Ų86.773%0.72846%0.464SS*.Hα-helixtrans-82.8-38.1-178.3-166.3179.7-67.7-179.90.1112.8N74 F75 S80N74-R77 PolarHBondContact O-N 3Å; F75-R77 VanDerWaalsContact C-N 3.31Å; R77-S80 PolarHBondContact O-OG 3.25Å
78E52.7Low65.2Low97 Ų9788.3 Ų88.345%0.45348%0.476SS..Hα-helixtrans-86.6-15.6-172.1-76.7-171.9167.200115.5N74 S80 T81 T87N74-E78 PolarHBondContact O-N 3.29Å; E78-S80 PolarHBondContact O-N 3.4Å; E78-T81 PolarHBondContact O-N 3.32Å; E78-T87 WeakPolarHBondContact OE2-CB 3.34Å; E78-T87 WeakPolarHBondContact OE2-CG2 3.37Å; E78-T87 PolarHBondContact OE2-OG1 2.88Å
79K54.3Low65.3Low154 Ų15485 Ų8567%0.6745%0.453SS*.THydrogen-bonded Turntrans-60.4-5.5179.8-96.3178.6172.8174.40115.5F75F75-K79 HydrophobicContact CD1-CD 4.46Å; F75-K79 HydrophobicContact CE1-CD 4.28Å
80S49.6Very low65.6Low99 Ų9985.6 Ų85.669%0.69245%0.45SS*.THydrogen-bonded Turntrans-90.2-10.6-176.263.80000115.1R77 E78R77-S80 PolarHBondContact O-OG 3.25Å; E78-S80 PolarHBondContact O-N 3.4Å
81T49.6Very low65.9Low103 Ų10384.1 Ų84.163%0.63244%0.442SS*.SBendtrans-147.2116.2-174.851.40000112.4E78E78-T81 PolarHBondContact O-N 3.32Å
82S45.3Very low66.2Low73 Ų7388.3 Ų88.351%0.5147%0.471SS..  trans93.4119.6176-174.90000116.6F84 N85S82-F84 PolarHBondContact O-N 2.84Å; S82-N85 VanDerWaalsContact CB-CG 3.46Å; S82-N85 WeakPolarHBondContact CB-ND2 3.4Å; S82-N85 PolarHBondContact OG-ND2 3.06Å; S82-N85 PolarHBondContact OG-OD1 3.15Å
83C52.7Low67.1Low117 Ų11791 Ų9179%0.79148%0.484SS*.THydrogen-bonded Turntrans-72.2-3.2-179-62.70000115.1
84F57.4Low68.5Low193 Ų19386.6 Ų86.685%0.84646%0.457SS*.THydrogen-bonded Turntrans-149.410.1-171.6-67-74.9000115.2S82 K86S82-F84 PolarHBondContact O-N 2.84Å; F84-K86 PolarHBondContact O-N 3.32Å
85N66.1Low70.1Confident118 Ų11885.4 Ų85.463%0.63145%0.451SS*.PPolyproline II helixtrans-85.2119177.8-65-1.5000109.1S82S82-N85 VanDerWaalsContact CB-CG 3.46Å; S82-N85 WeakPolarHBondContact CB-ND2 3.4Å; S82-N85 PolarHBondContact OG-ND2 3.06Å; S82-N85 PolarHBondContact OG-OD1 3.15Å
86K77.4Confident71.7Confident64 Ų6485.8 Ų85.828%0.27846%0.456SS..PPolyproline II helixtrans-62.1133.7167.4-64.2-178.9-1781710108.6D37 F84 V88D37-K86 IonicContact OD1-NZ 3.54Å; D37-K86 PolarHBondContact OD1-NZ 2.97Å; D37-K86 IonicContact OD2-NZ 3.93Å; F84-K86 PolarHBondContact O-N 3.32Å; K86-V88 PolarHBondContact O-N 3.29Å
87T85.7Confident73.5Confident11 Ų1180.3 Ų80.37%0.06743%0.432CS..EExtended strand (participates in β ladder)trans-75.7119.8171.5-70.40000108.7D41 L42 E43 F75 E78 V89D41-T87 PolarHBondContact O-N 3.47Å; D41-T87 VanDerWaalsContact O-N 3.15Å; L42-T87 CarbonylContact C-O 3.14Å; L42-T87 WeakPolarHBondContact CA-O 3.05Å; L42-T87 HydrophobicContact CD2-CG2 4.04Å; E43-T87 PolarHBondContact N-O 3.32Å; F75-T87 HydrophobicContact CD2-CG2 4.47Å; E78-T87 WeakPolarHBondContact OE2-CB 3.34Å; E78-T87 WeakPolarHBondContact OE2-CG2 3.37Å; E78-T87 PolarHBondContact OE2-OG1 2.88Å; T87-V89 HydrophobicContact CG2-CG2 4.1Å
88V88.4Confident75.6Confident56 Ų5671.2 Ų71.234%0.33940%0.398SS..EExtended strand (participates in β ladder)trans-86.5122.6177.1-178.10000109.3E43 R45 K86E43-V88 HydrophobicContact CB-CG2 4.3Å; E43-V88 CarbonylContact O-C 3.56Å; E43-V88 WeakPolarHBondContact O-CA 2.73Å; R45-V88 HydrophobicContact CB-CG1 4.16Å; K86-V88 PolarHBondContact O-N 3.29Å
89V90.1Very high77.5Confident2 Ų266.6 Ų66.61%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-111.2112.8179179.80000108.9L42 E43 L44 R45 N70 V71 T87 V91L42-V89 HydrophobicContact CD2-CG2 4.34Å; E43-V89 PolarHBondContact O-N 3.33Å; L44-V89 HydrophobicContact CD2-CB 3.99Å; L44-V89 HydrophobicContact CD2-CG1 4.38Å; R45-V89 PolarHBondContact N-O 2.95Å; N70-V89 HydrophobicContact CB-CG1 4.08Å; N70-V89 WeakPolarHBondContact O-CG1 3.36Å; V71-V89 HydrophobicContact CG1-CG2 4.33Å; V71-V89 HydrophobicContact CG2-CG1 4.32Å; V71-V89 HydrophobicContact CG2-CG2 4.22Å; T87-V89 HydrophobicContact CG2-CG2 4.1Å; V89-V91 HydrophobicContact CG1-CG2 4.43Å; V89-V91 PolarHBondContact O-N 3.36Å
90N90.6Very high79.4Confident106 Ų10661.4 Ų61.457%0.56736%0.358SS*.EExtended strand (participates in β ladder)trans-78114.8176.6-62.5-41.2000110.2R45R45-N90 WeakPolarHBondContact CD-OD1 3.38Å
91V89.6Confident81.4Confident1 Ų159.4 Ų59.41%0.00634%0.337CS..  trans-101.779.2175.5-170.30000108.2L44 R45 F66 V89 T93 M94 L99L44-V91 HydrophobicContact CB-CG2 4.43Å; L44-V91 HydrophobicContact CD2-CG2 4.41Å; R45-V91 PolarHBondContact O-N 3.17Å; F66-V91 HydrophobicContact CE2-CG1 4.22Å; F66-V91 HydrophobicContact CE2-CG2 4.22Å; F66-V91 HydrophobicContact CZ-CG2 3.93Å; V89-V91 HydrophobicContact CG1-CG2 4.43Å; V89-V91 PolarHBondContact O-N 3.36Å; V91-T93 PolarHBondContact O-N 3.37Å; V91-M94 HydrophobicContact CG1-CB 4.02Å; V91-M94 HydrophobicContact CG1-CG 3.92Å; V91-M94 HydrophobicContact CG1-SD 4.02Å; V91-M94 PolarHBondContact O-N 2.94Å; V91-L99 HydrophobicContact CB-CD1 4.46Å; V91-L99 HydrophobicContact CG1-CD1 4.49Å; V91-L99 HydrophobicContact CG2-CD1 4.33Å
92S85.9Confident83.4Confident88 Ų8854.5 Ų54.562%0.61531%0.307SS*.THydrogen-bonded Turntrans-68.3-13.1-175.357.10000114.4
93T88.9Confident85.7Confident76 Ų7651.2 Ų51.247%0.46628%0.283SS..THydrogen-bonded Turntrans-83.9-17.2-178.953.50000113.6V91V91-T93 PolarHBondContact O-N 3.37Å
94M90.9Very high87.6Confident1 Ų146.3 Ų46.31%0.00525%0.249CC..  trans-118.3134.5-174.7-64.9-177179.100111.1K47 V91 C98 L99 F102 Y145K47-M94 VanDerWaalsContact CB-O 3.26Å; K47-M94 WeakPolarHBondContact CB-O 3.06Å; K47-M94 PolarHBondContact N-O 3.47Å; V91-M94 HydrophobicContact CG1-CB 4.02Å; V91-M94 HydrophobicContact CG1-CG 3.92Å; V91-M94 HydrophobicContact CG1-SD 4.02Å; V91-M94 PolarHBondContact O-N 2.94Å; M94-C98 HydrophobicContact CB-CB 3.88Å; M94-C98 HydrophobicContact CG-CB 4.13Å; M94-L99 HydrophobicContact CB-CB 4.25Å; M94-L99 HydrophobicContact SD-CD1 4.04Å; M94-F102 HydrophobicContact CE-CB 4.35Å; M94-F102 HydrophobicContact CE-CD2 4.26Å; M94-F102 HydrophobicContact CE-CG 4.16Å; M94-F102 HydrophobicContact SD-CB 4.17Å; M94-F102 HydrophobicContact SD-CG 4.33Å; M94-Y145 HydrophobicContact CE-CD1 3.15Å; M94-Y145 HydrophobicContact CE-CD2 4.07Å; M94-Y145 HydrophobicContact CE-CE1 3.65Å; M94-Y145 HydrophobicContact CE-CE2 4.46Å; M94-Y145 HydrophobicContact CE-CG 3.4Å
95D93.8Very high89.2Confident47 Ų4738.7 Ų38.725%0.25121%0.214SC..  trans-73.4170.5160.75931.7000110.5D97 C98 L99 S138D95-D97 VanDerWaalsContact C-N 3.3Å; D95-D97 PolarHBondContact O-N 3.14Å; D95-D97 PolarHBondContact OD1-N 3.18Å; D95-C98 PolarHBondContact O-N 3.22Å; D95-C98 WeakPolarHBondContact OD1-CB 3.38Å; D95-C98 PolarHBondContact OD1-N 2.74Å; D95-C98 PolarHBondContact OD1-SG 2.52Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 PolarHBondContact O-N 3.18Å; D95-S138 PolarHBondContact OD2-OG 2.88Å
96S93.4Very high90.5Very high26 Ų2633.2 Ų33.218%0.18219%0.186CC..Hα-helixtrans-53.4-42.9178.748.60000113.5D48 L99 T100D48-S96 PolarHBondContact OD1-N 2.92Å; D48-S96 WeakPolarHBondContact OD2-CB 3.37Å; D48-S96 PolarHBondContact OD2-N 2.97Å; D48-S96 PolarHBondContact OD2-OG 3.5Å; S96-L99 PolarHBondContact O-N 3.18Å; S96-T100 VanDerWaalsContact O-CB 3.31Å; S96-T100 WeakPolarHBondContact O-CB 3.41Å; S96-T100 PolarHBondContact O-N 3.31Å; S96-T100 PolarHBondContact O-OG1 3.05Å
97D92.9Very high91.3Very high62 Ų6230.2 Ų30.233%0.33217%0.172SC..Hα-helixtrans-63-47.1177.8-79.5-9.2000112.1D95 K101 G134D95-D97 VanDerWaalsContact C-N 3.3Å; D95-D97 PolarHBondContact O-N 3.14Å; D95-D97 PolarHBondContact OD1-N 3.18Å; D97-K101 WeakPolarHBondContact O-CB 3.4Å; D97-K101 WeakPolarHBondContact O-CD 3.44Å; D97-K101 VanDerWaalsContact O-CG 3.22Å; D97-K101 WeakPolarHBondContact O-CG 3.43Å; D97-K101 PolarHBondContact O-N 3.08Å; D97-G134 WeakPolarHBondContact OD2-CA 3.41Å
98C92.5Very high91.4Very high1 Ų130.1 Ų30.11%0.00717%0.173CC..Hα-helixtrans-62.4-45.8177.4-71.30000110.9M94 D95 K101 F102 S138 A142M94-C98 HydrophobicContact CB-CB 3.88Å; M94-C98 HydrophobicContact CG-CB 4.13Å; D95-C98 PolarHBondContact O-N 3.22Å; D95-C98 WeakPolarHBondContact OD1-CB 3.38Å; D95-C98 PolarHBondContact OD1-N 2.74Å; D95-C98 PolarHBondContact OD1-SG 2.52Å; C98-K101 PolarHBondContact O-N 3.27Å; C98-F102 VanDerWaalsContact O-CB 3.31Å; C98-F102 WeakPolarHBondContact O-CB 3.39Å; C98-F102 PolarHBondContact O-N 3.45Å; C98-S138 VanDerWaalsContact SG-CA 3.55Å; C98-S138 VanDerWaalsContact SG-CB 3.53Å; C98-S138 PolarHBondContact SG-O 3.1Å; C98-A142 HydrophobicContact CB-CB 4.31Å
99L93.1Very high91Very high0 Ų031.2 Ų31.20%018%0.177CC..Hα-helixtrans-64.9-43-178.5-174.365.4000110.9L44 L52 V91 M94 D95 S96 F102 V103L44-L99 HydrophobicContact CB-CD1 4.13Å; L44-L99 HydrophobicContact CB-CD2 3.95Å; L44-L99 HydrophobicContact CD1-CD1 4.05Å; L52-L99 HydrophobicContact CD1-CD2 4.11Å; L52-L99 HydrophobicContact CD1-CG 4.03Å; V91-L99 HydrophobicContact CB-CD1 4.46Å; V91-L99 HydrophobicContact CG1-CD1 4.49Å; V91-L99 HydrophobicContact CG2-CD1 4.33Å; M94-L99 HydrophobicContact CB-CB 4.25Å; M94-L99 HydrophobicContact SD-CD1 4.04Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 PolarHBondContact O-N 3.18Å; S96-L99 PolarHBondContact O-N 3.18Å; L99-F102 PolarHBondContact O-N 3.42Å; L99-V103 WeakPolarHBondContact O-CG2 3.23Å; L99-V103 PolarHBondContact O-N 3.05Å
100T93.5Very high89.7Confident46 Ų4632.6 Ų32.628%0.28219%0.186SC..Hα-helixtrans-59.8-50.8176.1-59.30000110.4S96 F102 V103 H104S96-T100 VanDerWaalsContact O-CB 3.31Å; S96-T100 WeakPolarHBondContact O-CB 3.41Å; S96-T100 PolarHBondContact O-N 3.31Å; S96-T100 PolarHBondContact O-OG1 3.05Å; T100-F102 VanDerWaalsContact C-N 3.32Å; T100-F102 PolarHBondContact O-N 3.2Å; T100-V103 PolarHBondContact O-N 3.37Å; T100-H104 PolarHBondContact O-CD2 2.83Å; T100-H104 PolarHBondContact O-N 2.85Å
101K91.5Very high88.2Confident57 Ų5734 Ų3425%0.24819%0.194CC..Hα-helixtrans-58-43.2176.6-73.2169.7-179.5164.20112.6D97 C98 H104 Y105 A113D97-K101 WeakPolarHBondContact O-CB 3.4Å; D97-K101 WeakPolarHBondContact O-CD 3.44Å; D97-K101 VanDerWaalsContact O-CG 3.22Å; D97-K101 WeakPolarHBondContact O-CG 3.43Å; D97-K101 PolarHBondContact O-N 3.08Å; C98-K101 PolarHBondContact O-N 3.27Å; K101-H104 PolarHBondContact O-N 3.33Å; K101-Y105 WeakPolarHBondContact O-CB 3.47Å; K101-Y105 PolarHBondContact O-N 2.95Å; K101-A113 HydrophobicContact CB-CB 4.27Å; K101-A113 HydrophobicContact CD-CB 4.46Å; K101-A113 HydrophobicContact CG-CB 3.54Å
102F92.6Very high86.1Confident0 Ų039.7 Ų39.70%022%0.224CC..Hα-helixtrans-61.1-47.6176.6172-102.8000111.5L59 A63 F66 M94 C98 L99 T100 H104 Y105 V106 I146 F150L59-F102 HydrophobicContact CD2-CE1 4.27Å; A63-F102 HydrophobicContact CB-CE2 4.47Å; A63-F102 HydrophobicContact CB-CZ 3.92Å; F66-F102 HydrophobicContact CB-CZ 3.96Å; F66-F102 HydrophobicContact CD1-CE1 4Å; F66-F102 AromaticContact CD1-CZ 3.97Å; F66-F102 HydrophobicContact CD1-CZ 3.97Å; F66-F102 HydrophobicContact CD2-CE1 4.01Å; F66-F102 AromaticContact CD2-CZ 3.81Å; F66-F102 HydrophobicContact CD2-CZ 3.81Å; F66-F102 HydrophobicContact CE1-CE1 4.02Å; F66-F102 HydrophobicContact CE1-CZ 4.44Å; F66-F102 HydrophobicContact CE2-CE1 4.02Å; F66-F102 HydrophobicContact CE2-CZ 4.3Å; F66-F102 HydrophobicContact CG-CE1 4Å; F66-F102 AromaticContact CG-CZ 3.62Å; F66-F102 HydrophobicContact CG-CZ 3.62Å; F66-F102 HydrophobicContact CZ-CE1 4.02Å; M94-F102 HydrophobicContact CE-CB 4.35Å; M94-F102 HydrophobicContact CE-CD2 4.26Å; M94-F102 HydrophobicContact CE-CG 4.16Å; M94-F102 HydrophobicContact SD-CB 4.17Å; M94-F102 HydrophobicContact SD-CG 4.33Å; C98-F102 VanDerWaalsContact O-CB 3.31Å; C98-F102 WeakPolarHBondContact O-CB 3.39Å; C98-F102 PolarHBondContact O-N 3.45Å; L99-F102 PolarHBondContact O-N 3.42Å; T100-F102 VanDerWaalsContact C-N 3.32Å; T100-F102 PolarHBondContact O-N 3.2Å; F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.66Å; F102-Y105 WeakPolarHBondContact O-CB 3.43Å; F102-Y105 PolarHBondContact O-N 3Å; F102-V106 HydrophobicContact CD1-CG2 4.33Å; F102-V106 HydrophobicContact CD2-CG2 4.2Å; F102-V106 HydrophobicContact CE1-CG2 3.91Å; F102-V106 HydrophobicContact CE2-CG2 3.77Å; F102-V106 HydrophobicContact CG-CG2 4.47Å; F102-V106 HydrophobicContact CZ-CG2 3.61Å; F102-V106 VanDerWaalsContact O-CG2 3.3Å; F102-V106 WeakPolarHBondContact O-CG2 3.44Å; F102-V106 PolarHBondContact O-N 3.09Å; F102-I146 HydrophobicContact CD2-CD1 4.43Å; F102-I146 HydrophobicContact CD2-CG1 4.04Å; F102-F150 HydrophobicContact CE2-CE2 4.29Å; F102-F150 HydrophobicContact CE2-CZ 4.2Å
103V93.2Very high84.3Confident3 Ų337.3 Ų37.32%0.01821%0.21CC..Hα-helixtrans-62.6-42.2177.3173.80000110.9I34 L44 L52 L99 T100 Y105 V106 Y107I34-V103 HydrophobicContact CG1-CG1 4.45Å; I34-V103 HydrophobicContact CG2-CG1 3.85Å; L44-V103 HydrophobicContact CD1-CG2 4.04Å; L52-V103 HydrophobicContact CD1-CG2 4.46Å; L99-V103 WeakPolarHBondContact O-CG2 3.23Å; L99-V103 PolarHBondContact O-N 3.05Å; T100-V103 PolarHBondContact O-N 3.37Å; V103-Y105 VanDerWaalsContact C-N 3.34Å; V103-Y105 PolarHBondContact O-N 3.3Å; V103-V106 PolarHBondContact O-N 3.49Å; V103-Y107 HydrophobicContact CG1-CD2 3.83Å; V103-Y107 HydrophobicContact CG1-CE2 3.79Å; V103-Y107 WeakPolarHBondContact O-CD2 3.29Å; V103-Y107 PolarHBondContact O-N 3.2Å
104H92.4Very high82.1Confident15 Ų1542.5 Ų42.57%0.06923%0.229CC..Hα-helixtrans-56.5-47.9173.2-82.7-64.4000112.5I34 T100 K101 F102 V106 Y107 A108 A116I34-H104 WeakPolarHBondContact CD1-ND1 3.12Å; I34-H104 VanDerWaalsContact CG2-CE1 3.5Å; I34-H104 WeakPolarHBondContact CG2-CE1 3.42Å; T100-H104 PolarHBondContact O-CD2 2.83Å; T100-H104 PolarHBondContact O-N 2.85Å; K101-H104 PolarHBondContact O-N 3.33Å; F102-H104 VanDerWaalsContact C-N 3.34Å; F102-H104 PolarHBondContact O-N 2.66Å; H104-V106 PolarHBondContact O-N 3.22Å; H104-Y107 PolarHBondContact O-N 3.32Å; H104-A108 WeakPolarHBondContact O-CB 3.34Å; H104-A108 PolarHBondContact O-N 3.46Å; H104-A116 WeakPolarHBondContact CE1-CB 3.4Å; H104-A116 WeakPolarHBondContact ND1-CB 3.25Å; H104-A116 WeakPolarHBondContact NE2-CB 3.5Å
105Y91.6Very high79.8Confident32 Ų3246.6 Ų46.613%0.12526%0.263CS..Hα-helixtrans-60.4-47.1177.4-178.6-97.4000112K101 F102 V103 Y107 N109 D111 I146 F150 I154K101-Y105 WeakPolarHBondContact O-CB 3.47Å; K101-Y105 PolarHBondContact O-N 2.95Å; F102-Y105 WeakPolarHBondContact O-CB 3.43Å; F102-Y105 PolarHBondContact O-N 3Å; V103-Y105 VanDerWaalsContact C-N 3.34Å; V103-Y105 PolarHBondContact O-N 3.3Å; Y105-Y107 VanDerWaalsContact C-N 3.34Å; Y105-Y107 PolarHBondContact O-N 2.9Å; Y105-N109 WeakPolarHBondContact O-CA 3.42Å; Y105-N109 PolarHBondContact O-N 2.83Å; Y105-D111 WeakPolarHBondContact CE2-OD1 3.45Å; Y105-I146 HydrophobicContact CD1-CD1 4.38Å; Y105-I146 HydrophobicContact CD1-CG2 4.26Å; Y105-I146 HydrophobicContact CE1-CG2 3.84Å; Y105-I146 HydrophobicContact CG-CD1 4.38Å; Y105-F150 HydrophobicContact CD1-CZ 4.33Å; Y105-F150 HydrophobicContact CE1-CD1 4.49Å; Y105-F150 AromaticContact CE1-CE1 3.83Å; Y105-F150 HydrophobicContact CE1-CE1 3.83Å; Y105-F150 HydrophobicContact CE1-CZ 4.01Å; Y105-I154 VanDerWaalsContact OH-CD1 3.28Å; Y105-I154 WeakPolarHBondContact OH-CD1 3.32Å
106V92.9Very high77.4Confident4 Ų446 Ų462%0.02427%0.265CS..Hα-helixtrans-60.1-42.4-179.3167.20000112.3I58 L59 R62 A63 F102 V103 H104I58-V106 HydrophobicContact CG2-CG1 4.03Å; L59-V106 HydrophobicContact CD2-CG1 4.06Å; R62-V106 HydrophobicContact CB-CG1 3.85Å; R62-V106 PolarHBondContact NH1-O 3.46Å; A63-V106 HydrophobicContact CB-CG2 4.07Å; F102-V106 HydrophobicContact CD1-CG2 4.33Å; F102-V106 HydrophobicContact CD2-CG2 4.2Å; F102-V106 HydrophobicContact CE1-CG2 3.91Å; F102-V106 HydrophobicContact CE2-CG2 3.77Å; F102-V106 HydrophobicContact CG-CG2 4.47Å; F102-V106 HydrophobicContact CZ-CG2 3.61Å; F102-V106 VanDerWaalsContact O-CG2 3.3Å; F102-V106 WeakPolarHBondContact O-CG2 3.44Å; F102-V106 PolarHBondContact O-N 3.09Å; V103-V106 PolarHBondContact O-N 3.49Å; H104-V106 PolarHBondContact O-N 3.22Å
107Y93.2Very high74.8Confident1 Ų151.2 Ų51.20%0.00429%0.289CS..Hα-helixtrans-83.4-48-175-79.7-113.6000112.1L30 L33 I34 H55 I58 V103 H104 Y105L30-Y107 HydrophobicContact CB-CD1 4.45Å; L30-Y107 WeakPolarHBondContact CB-O 3.14Å; L30-Y107 WeakPolarHBondContact CD1-O 3.48Å; L30-Y107 VanDerWaalsContact O-CD1 3.29Å; L30-Y107 WeakPolarHBondContact O-CD1 3.2Å; L33-Y107 HydrophobicContact CB-CD1 4.11Å; L33-Y107 HydrophobicContact CB-CE1 3.81Å; I34-Y107 HydrophobicContact CD1-CG 4.33Å; I34-Y107 HydrophobicContact CG1-CD1 3.92Å; I34-Y107 HydrophobicContact CG1-CD2 4.36Å; I34-Y107 HydrophobicContact CG1-CG 3.74Å; H55-Y107 PolarHBondContact N-OH 2.97Å; H55-Y107 AromaticContact ND1-CE1 3.72Å; H55-Y107 AromaticContact ND1-CZ 3.7Å; H55-Y107 PolarHBondContact ND1-OH 3.49Å; I58-Y107 HydrophobicContact CB-CE1 4.45Å; I58-Y107 HydrophobicContact CD1-CD1 3.79Å; I58-Y107 HydrophobicContact CD1-CE1 3.23Å; I58-Y107 HydrophobicContact CG1-CE1 4.39Å; I58-Y107 HydrophobicContact CG2-CD1 4.23Å; I58-Y107 HydrophobicContact CG2-CD2 4.07Å; I58-Y107 HydrophobicContact CG2-CE1 4.14Å; I58-Y107 HydrophobicContact CG2-CE2 3.95Å; I58-Y107 HydrophobicContact CG2-CG 4.23Å; V103-Y107 HydrophobicContact CG1-CD2 3.83Å; V103-Y107 HydrophobicContact CG1-CE2 3.79Å; V103-Y107 WeakPolarHBondContact O-CD2 3.29Å; V103-Y107 PolarHBondContact O-N 3.2Å; H104-Y107 PolarHBondContact O-N 3.32Å; Y105-Y107 VanDerWaalsContact C-N 3.34Å; Y105-Y107 PolarHBondContact O-N 2.9Å
108A87.6Confident72.3Confident9 Ų954.1 Ų54.17%0.07431%0.309CS..Hα-helixtrans-101-15.1-170.100000113.8R27 T31 H104 S110R27-A108 VanDerWaalsContact CD-O 3.23Å; R27-A108 WeakPolarHBondContact CD-O 3.34Å; T31-A108 WeakPolarHBondContact OG1-CB 3.19Å; H104-A108 WeakPolarHBondContact O-CB 3.34Å; H104-A108 PolarHBondContact O-N 3.46Å; A108-S110 PolarHBondContact O-N 3.31Å
109N81.2Confident69.6Low79 Ų7960.1 Ų60.142%0.42235%0.348SS..  trans52.332.6-168.7-160.780000112Y105Y105-N109 WeakPolarHBondContact O-CA 3.42Å; Y105-N109 PolarHBondContact O-N 2.83Å
110S62.8Low66.7Low30 Ų3063.4 Ų63.421%0.2138%0.381CS..  trans-98.8118.5176.160.20000108.6A108 D112A108-S110 PolarHBondContact O-N 3.31Å; S110-D112 PolarHBondContact O-N 2.87Å
111D57.8Low64Low136 Ų13666.3 Ų66.373%0.72740%0.403SS*.SBendtrans-67.5-15.3163.7-66.4-35.8000111.2Y105 A113Y105-D111 WeakPolarHBondContact CE2-OD1 3.45Å; D111-A113 PolarHBondContact O-N 3.41Å; D111-A113 VanDerWaalsContact O-N 3.1Å
112D46.5Very low61.2Low121 Ų12173 Ų7365%0.64744%0.436SS*.  trans-84.571.7179-53.8-41.3000110.9S110 E114 A115S110-D112 PolarHBondContact O-N 2.87Å; D112-E114 PolarHBondContact O-N 3.28Å; D112-A115 PolarHBondContact O-N 3.15Å
113A47.5Very low58.6Low37 Ų3778.5 Ų78.531%0.30647%0.469SS..THydrogen-bonded Turntrans-64.54.7172.200000114.5K101 D111K101-A113 HydrophobicContact CB-CB 4.27Å; K101-A113 HydrophobicContact CD-CB 4.46Å; K101-A113 HydrophobicContact CG-CB 3.54Å; D111-A113 PolarHBondContact O-N 3.41Å; D111-A113 VanDerWaalsContact O-N 3.1Å
114E44.2Very low55.8Low186 Ų18684.1 Ų84.187%0.86950%0.503SS*.THydrogen-bonded Turntrans-79.7-16.5171.9-91.7-158.715300113.9D112 A116D112-E114 PolarHBondContact O-N 3.28Å; E114-A116 PolarHBondContact O-N 3.45Å
115A42.2Very low53Low87 Ų8789.5 Ų89.572%0.71953%0.533SS*.THydrogen-bonded Turntrans-87.13.9-166.400000116.1D112D112-A115 PolarHBondContact O-N 3.15Å
116A41.8Very low50.3Low35 Ų3595.8 Ų95.829%0.28957%0.568SS.*THydrogen-bonded Turntrans-111.416.2-169.700000116.5H104 E114 V118H104-A116 WeakPolarHBondContact CE1-CB 3.4Å; H104-A116 WeakPolarHBondContact ND1-CB 3.25Å; H104-A116 WeakPolarHBondContact NE2-CB 3.5Å; E114-A116 PolarHBondContact O-N 3.45Å; A116-V118 VanDerWaalsContact C-N 3.26Å; A116-V118 PolarHBondContact O-N 3.22Å
117I40.1Very low48.2Very low135 Ų135103 Ų10369%0.69260%0.604SS**  trans-7490.9160.4-54.8177.4000106.6P119I117-P119 VanDerWaalsContact O-CD 3.24Å; I117-P119 WeakPolarHBondContact O-CD 3.23Å
118V40.7Very low45.6Very low123 Ų123109.7 Ų109.775%0.74564%0.64SS**  trans-59.8113.5163.4176.60000106.5A116 G120A116-V118 VanDerWaalsContact C-N 3.26Å; A116-V118 PolarHBondContact O-N 3.22Å; V118-G120 PolarHBondContact O-N 2.89Å
119P34.5Very low43.6Very low127 Ų127118.2 Ų118.283%0.82568%0.678SS**SBendtrans-79.694.4178.631.6-26.8000106.6I117I117-P119 VanDerWaalsContact O-CD 3.24Å; I117-P119 WeakPolarHBondContact O-CD 3.23Å
120G33.7Very low41.6Very low68 Ų68123.6 Ų123.670%0.70170%0.701SS**  trans-161.6-1.4-171.300000119.1V118V118-G120 PolarHBondContact O-N 2.89Å
121S37Very low40.6Very low108 Ų108125.4 Ų125.476%0.75572%0.717SS**  trans-132.498.7168.973.80000111.4T123S121-T123 PolarHBondContact O-N 3.15Å
122E30.9Very low39.8Very low198 Ų198125.6 Ų125.693%0.92572%0.718SS**  trans-55.996162.2-178.5-179.1-160.600109.9
123T38Very low39.6Very low115 Ų115125.9 Ų125.971%0.70672%0.718SS**  trans-154.6105.4150.648.80000112.2S121S121-T123 PolarHBondContact O-N 3.15Å
124V35.9Very low39.3Very low120 Ų120124.4 Ų124.473%0.72771%0.706SS**  60.3107.4125.9-166.80000118.5
125D32.8Very low39.7Very low129 Ų129118.2 Ų118.269%0.6968%0.683SS**  trans80.2114.6139.7-62.1-14.5000121.5
126L36.2Very low40.3Very low164 Ų164117.2 Ų117.286%0.85967%0.671SS**  trans68.479.6137-58168.5000117.3
127I47.1Very low40.9Very low156 Ų156122.2 Ų122.280%0.869%0.689SS**  trans-139.2120.9150.7-22175.3000109.6E129I127-E129 PolarHBondContact O-N 3.27Å
128N40.2Very low41.5Very low140 Ų140116.5 Ų116.575%0.74966%0.66SS**  trans-48.3130.5-178.8-73.4-28.6000112E130 A131N128-E130 PolarHBondContact O-N 3.31Å; N128-A131 PolarHBondContact O-N 3Å; N128-A131 VanDerWaalsContact O-N 3.09Å
129E45.2Very low42Very low188 Ų188116.6 Ų116.688%0.87965%0.647SS**THydrogen-bonded Turntrans-64.23.1177.6-62.3-153.7156.200114.8I127I127-E129 PolarHBondContact O-N 3.27Å
130E39.2Very low42.9Very low193 Ų193116.2 Ų116.290%0.90263%0.634SS**THydrogen-bonded Turntrans-97.3-2.2172.9-70.9-171.3152.500114N128N128-E130 PolarHBondContact O-N 3.31Å
131A40.5Very low44.1Very low67 Ų67115.3 Ų115.355%0.55462%0.618SS**SBendtrans-96.8-2.8174.600000113.8N128 I133N128-A131 PolarHBondContact O-N 3Å; N128-A131 VanDerWaalsContact O-N 3.09Å; A131-I133 PolarHBondContact O-N 3.22Å
132L42.8Very low45Very low141 Ų141110.5 Ų110.574%0.73858%0.584SS**SBendtrans-96.224.5-171.1-141.284000114.2
133I40.4Very low46.1Very low127 Ų127109.7 Ų109.765%0.65157%0.573SS**SBendtrans-13389.3168.6-52.4175.1000106.5A131 S135A131-I133 PolarHBondContact O-N 3.22Å; I133-S135 PolarHBondContact O-N 2.94Å
134G42.5Very low47.1Very low5 Ų5107.3 Ų107.35%0.05256%0.558CS.*  trans-41.3137.1174.900000111.9D97D97-G134 WeakPolarHBondContact OD2-CA 3.41Å
135S52.7Low48.1Very low56 Ų56103.5 Ų103.539%0.39253%0.531SS..  trans-40.8147-175.8175.40000111.8I133 E137 S138 R139I133-S135 PolarHBondContact O-N 2.94Å; S135-E137 PolarHBondContact O-N 3.42Å; S135-E137 PolarHBondContact OG-N 3.43Å; S135-S138 WeakPolarHBondContact O-CB 3.4Å; S135-S138 PolarHBondContact O-N 3.21Å; S135-R139 PolarHBondContact O-N 3.4Å
136S54Low49.2Very low66 Ų6698.8 Ų98.846%0.46251%0.505SS..Hα-helixtrans-50-30.617048.60000112.1Q140S136-Q140 VanDerWaalsContact O-CG 3.31Å; S136-Q140 WeakPolarHBondContact O-CG 3.4Å; S136-Q140 PolarHBondContact O-N 2.9Å
137E54.5Low49.8Very low141 Ų14195 Ų9566%0.65949%0.492SS*.Hα-helixtrans-70.1-41.4175.3-63.5179.9150.500112.4S135 R139 Q140 S141S135-E137 PolarHBondContact O-N 3.42Å; S135-E137 PolarHBondContact OG-N 3.43Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.42Å; E137-Q140 CarbonylContact O-C 3.59Å; E137-Q140 PolarHBondContact O-N 2.92Å; E137-S141 WeakPolarHBondContact O-CB 3.29Å; E137-S141 PolarHBondContact O-N 3.38Å
138S52.5Low50Low14 Ų1494.1 Ų94.110%0.09848%0.484CS..Hα-helixtrans-63.4-40.1174.6-56.50000110.8D95 C98 S135 Q140 S141 A142D95-S138 PolarHBondContact OD2-OG 2.88Å; C98-S138 VanDerWaalsContact SG-CA 3.55Å; C98-S138 VanDerWaalsContact SG-CB 3.53Å; C98-S138 PolarHBondContact SG-O 3.1Å; S135-S138 WeakPolarHBondContact O-CB 3.4Å; S135-S138 PolarHBondContact O-N 3.21Å; S138-Q140 VanDerWaalsContact C-N 3.33Å; S138-Q140 PolarHBondContact O-N 3.27Å; S138-S141 PolarHBondContact O-N 2.98Å; S138-A142 WeakPolarHBondContact O-CB 3.46Å; S138-A142 PolarHBondContact O-N 3.49Å
139R51Low50.2Low125 Ų12588.3 Ų88.347%0.47245%0.454SS..Hα-helixtrans-62.7-39.2173.6-74-174.9-80.1-174.2-3112.6S135 E137 R143S135-R139 PolarHBondContact O-N 3.4Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.42Å; R139-R143 WeakPolarHBondContact O-CB 3.26Å; R139-R143 VanDerWaalsContact O-CG 3.29Å; R139-R143 WeakPolarHBondContact O-CG 3.47Å; R139-R143 PolarHBondContact O-N 3.39Å; R139-R143 VanDerWaalsContact O-N 3.08Å
140Q54.6Low50.4Low119 Ų11980.7 Ų80.756%0.55642%0.419SS*.Hα-helixtrans-71.9-41.4176.5-74.8165.34.200111.5S136 E137 S138 R143 T144S136-Q140 VanDerWaalsContact O-CG 3.31Å; S136-Q140 WeakPolarHBondContact O-CG 3.4Å; S136-Q140 PolarHBondContact O-N 2.9Å; E137-Q140 CarbonylContact O-C 3.59Å; E137-Q140 PolarHBondContact O-N 2.92Å; S138-Q140 VanDerWaalsContact C-N 3.33Å; S138-Q140 PolarHBondContact O-N 3.27Å; Q140-R143 CarbonylContact O-C 3.6Å; Q140-R143 PolarHBondContact O-N 3.29Å; Q140-T144 VanDerWaalsContact O-CB 3.25Å; Q140-T144 WeakPolarHBondContact O-CB 3.39Å; Q140-T144 PolarHBondContact O-N 3Å; Q140-T144 PolarHBondContact O-OG1 3.42Å
141S58.2Low50.6Low50 Ų5076.2 Ų76.235%0.3541%0.408SS..Hα-helixtrans-61.6-46.8177.6-171.40000111.5E137 S138 R143 T144 Y145E137-S141 WeakPolarHBondContact O-CB 3.29Å; E137-S141 PolarHBondContact O-N 3.38Å; S138-S141 PolarHBondContact O-N 2.98Å; S141-R143 PolarHBondContact O-N 2.76Å; S141-T144 PolarHBondContact O-N 2.84Å; S141-Y145 VanDerWaalsContact O-CB 3.29Å; S141-Y145 WeakPolarHBondContact O-CB 3.46Å; S141-Y145 PolarHBondContact O-N 2.91Å
142A55.4Low50.6Low6 Ų677.9 Ų77.95%0.0541%0.412CS..Hα-helixtrans-61.1-45.6174.400000111.5C98 S138 Y145 I146C98-A142 HydrophobicContact CB-CB 4.31Å; S138-A142 WeakPolarHBondContact O-CB 3.46Å; S138-A142 PolarHBondContact O-N 3.49Å; A142-Y145 PolarHBondContact O-N 2.93Å; A142-I146 VanDerWaalsContact O-CB 3.26Å; A142-I146 WeakPolarHBondContact O-CB 3.37Å; A142-I146 WeakPolarHBondContact O-CD1 3.34Å; A142-I146 WeakPolarHBondContact O-CG1 3.36Å; A142-I146 PolarHBondContact O-N 3.37Å
143R54Low50.8Low182 Ų18275.4 Ų75.469%0.68740%0.399SS*.Hα-helixtrans-64.5-43.2177.3-80.9-179.5163.7-170.6-4.5113.1R139 Q140 S141 I146 C147R139-R143 WeakPolarHBondContact O-CB 3.26Å; R139-R143 VanDerWaalsContact O-CG 3.29Å; R139-R143 WeakPolarHBondContact O-CG 3.47Å; R139-R143 PolarHBondContact O-N 3.39Å; R139-R143 VanDerWaalsContact O-N 3.08Å; Q140-R143 CarbonylContact O-C 3.6Å; Q140-R143 PolarHBondContact O-N 3.29Å; S141-R143 PolarHBondContact O-N 2.76Å; R143-I146 CarbonylContact O-C 3.6Å; R143-I146 PolarHBondContact O-N 3.4Å; R143-C147 VanDerWaalsContact O-CB 3.32Å; R143-C147 WeakPolarHBondContact O-CB 3.45Å; R143-C147 PolarHBondContact O-N 3.31Å; R143-C147 PolarHBondContact O-SG 2.82Å; R143-C147 VanDerWaalsContact O-SG 3.37Å
144T59.8Low50.9Low65 Ų6573.5 Ų73.540%0.39939%0.39SS..Hα-helixtrans-63.6-45.6177.4-64.50000109.5Q140 S141 I146 C147 E148Q140-T144 VanDerWaalsContact O-CB 3.25Å; Q140-T144 WeakPolarHBondContact O-CB 3.39Å; Q140-T144 PolarHBondContact O-N 3Å; Q140-T144 PolarHBondContact O-OG1 3.42Å; S141-T144 PolarHBondContact O-N 2.84Å; T144-I146 VanDerWaalsContact C-N 3.31Å; T144-I146 PolarHBondContact O-N 3.45Å; T144-C147 PolarHBondContact O-N 2.85Å; T144-C147 VanDerWaalsContact O-N 3.07Å; T144-E148 HydrophobicContact CG2-CG 3.93Å; T144-E148 WeakPolarHBondContact CG2-OE1 3.42Å; T144-E148 VanDerWaalsContact O-CB 3.23Å; T144-E148 WeakPolarHBondContact O-CB 3.11Å; T144-E148 VanDerWaalsContact O-CG 3.28Å; T144-E148 WeakPolarHBondContact O-CG 3.48Å; T144-E148 PolarHBondContact O-N 3.46Å
145Y56.9Low51Low39 Ų3976.4 Ų76.415%0.15341%0.413CS..Hα-helixtrans-62.4-39.9174.7-162.1-87.2000111.9F66 N70 M94 S141 A142 C147 S149F66-Y145 HydrophobicContact CB-CE1 4.38Å; F66-Y145 AromaticContact CD2-CE1 3.58Å; F66-Y145 HydrophobicContact CD2-CE1 3.58Å; F66-Y145 AromaticContact CD2-CZ 3.83Å; F66-Y145 WeakPolarHBondContact CD2-OH 3.36Å; F66-Y145 HydrophobicContact CE2-CE1 4.38Å; F66-Y145 HydrophobicContact CG-CE1 4.44Å; N70-Y145 PolarHBondContact ND2-OH 3.49Å; M94-Y145 HydrophobicContact CE-CD1 3.15Å; M94-Y145 HydrophobicContact CE-CD2 4.07Å; M94-Y145 HydrophobicContact CE-CE1 3.65Å; M94-Y145 HydrophobicContact CE-CE2 4.46Å; M94-Y145 HydrophobicContact CE-CG 3.4Å; S141-Y145 VanDerWaalsContact O-CB 3.29Å; S141-Y145 WeakPolarHBondContact O-CB 3.46Å; S141-Y145 PolarHBondContact O-N 2.91Å; A142-Y145 PolarHBondContact O-N 2.93Å; Y145-C147 VanDerWaalsContact C-N 3.32Å; Y145-C147 PolarHBondContact O-N 3.03Å; Y145-S149 WeakPolarHBondContact CE1-OG 3.34Å; Y145-S149 WeakPolarHBondContact O-CB 3.43Å; Y145-S149 PolarHBondContact O-N 3.22Å; Y145-S149 PolarHBondContact O-OG 3.47Å
146I55.4Low50.8Low30 Ų3075.7 Ų75.715%0.15441%0.408CS..Hα-helixtrans-72.7-18.9175-64.9162.7000112.5F102 Y105 A142 R143 T144 F150F102-I146 HydrophobicContact CD2-CD1 4.43Å; F102-I146 HydrophobicContact CD2-CG1 4.04Å; Y105-I146 HydrophobicContact CD1-CD1 4.38Å; Y105-I146 HydrophobicContact CD1-CG2 4.26Å; Y105-I146 HydrophobicContact CE1-CG2 3.84Å; Y105-I146 HydrophobicContact CG-CD1 4.38Å; A142-I146 VanDerWaalsContact O-CB 3.26Å; A142-I146 WeakPolarHBondContact O-CB 3.37Å; A142-I146 WeakPolarHBondContact O-CD1 3.34Å; A142-I146 WeakPolarHBondContact O-CG1 3.36Å; A142-I146 PolarHBondContact O-N 3.37Å; R143-I146 CarbonylContact O-C 3.6Å; R143-I146 PolarHBondContact O-N 3.4Å; T144-I146 VanDerWaalsContact C-N 3.31Å; T144-I146 PolarHBondContact O-N 3.45Å; I146-F150 VanDerWaalsContact CA-CD2 3.42Å; I146-F150 HydrophobicContact CB-CD2 4.18Å; I146-F150 HydrophobicContact CB-CE2 4Å; I146-F150 HydrophobicContact CG1-CE2 4.08Å; I146-F150 HydrophobicContact CG2-CD2 3.93Å; I146-F150 HydrophobicContact CG2-CE2 3.86Å; I146-F150 HydrophobicContact CG2-CG 4.34Å; I146-F150 HydrophobicContact CG2-CZ 4.27Å; I146-F150 WeakPolarHBondContact O-CB 3.29Å; I146-F150 WeakPolarHBondContact O-CD2 3.22Å; I146-F150 WeakPolarHBondContact O-CG 3.41Å
147C49.9Very low50.5Low85 Ų8575.4 Ų75.457%0.57440%0.397SS*.Hα-helixtrans-93.6-44175.8-78.10000111.2R143 T144 Y145 S149 F150 S151R143-C147 VanDerWaalsContact O-CB 3.32Å; R143-C147 WeakPolarHBondContact O-CB 3.45Å; R143-C147 PolarHBondContact O-N 3.31Å; R143-C147 PolarHBondContact O-SG 2.82Å; R143-C147 VanDerWaalsContact O-SG 3.37Å; T144-C147 PolarHBondContact O-N 2.85Å; T144-C147 VanDerWaalsContact O-N 3.07Å; Y145-C147 VanDerWaalsContact C-N 3.32Å; Y145-C147 PolarHBondContact O-N 3.03Å; C147-S149 VanDerWaalsContact C-N 3.31Å; C147-S149 PolarHBondContact O-N 3.23Å; C147-F150 PolarHBondContact O-N 3.06Å; C147-S151 PolarHBondContact O-N 3.29Å; C147-S151 PolarHBondContact O-OG 3.37Å
148E51Low50.3Low138 Ų13873.9 Ų73.965%0.64539%0.393SS*.Hα-helixtrans-65-36.5177.8-69.5178.4174.200111.1T144T144-E148 HydrophobicContact CG2-CG 3.93Å; T144-E148 WeakPolarHBondContact CG2-OE1 3.42Å; T144-E148 VanDerWaalsContact O-CB 3.23Å; T144-E148 WeakPolarHBondContact O-CB 3.11Å; T144-E148 VanDerWaalsContact O-CG 3.28Å; T144-E148 WeakPolarHBondContact O-CG 3.48Å; T144-E148 PolarHBondContact O-N 3.46Å
149S44.3Very low50.1Low17 Ų1779 Ų7912%0.11942%0.419CS..THydrogen-bonded Turntrans-87.30.2178.7-44.50000114.7E65 Y145 C147E65-S149 WeakPolarHBondContact OE2-CA 3.42Å; Y145-S149 WeakPolarHBondContact CE1-OG 3.34Å; Y145-S149 WeakPolarHBondContact O-CB 3.43Å; Y145-S149 PolarHBondContact O-N 3.22Å; Y145-S149 PolarHBondContact O-OG 3.47Å; C147-S149 VanDerWaalsContact C-N 3.31Å; C147-S149 PolarHBondContact O-N 3.23Å
150F48.9Very low49.9Very low29 Ų2976.3 Ų76.313%0.12742%0.424CS..  trans-13017.3-170.7-63.9-109.4000113.5A63 F102 Y105 I146 C147 T152 I154A63-F150 HydrophobicContact CB-CZ 4.43Å; F102-F150 HydrophobicContact CE2-CE2 4.29Å; F102-F150 HydrophobicContact CE2-CZ 4.2Å; Y105-F150 HydrophobicContact CD1-CZ 4.33Å; Y105-F150 HydrophobicContact CE1-CD1 4.49Å; Y105-F150 AromaticContact CE1-CE1 3.83Å; Y105-F150 HydrophobicContact CE1-CE1 3.83Å; Y105-F150 HydrophobicContact CE1-CZ 4.01Å; I146-F150 VanDerWaalsContact CA-CD2 3.42Å; I146-F150 HydrophobicContact CB-CD2 4.18Å; I146-F150 HydrophobicContact CB-CE2 4Å; I146-F150 HydrophobicContact CG1-CE2 4.08Å; I146-F150 HydrophobicContact CG2-CD2 3.93Å; I146-F150 HydrophobicContact CG2-CE2 3.86Å; I146-F150 HydrophobicContact CG2-CG 4.34Å; I146-F150 HydrophobicContact CG2-CZ 4.27Å; I146-F150 WeakPolarHBondContact O-CB 3.29Å; I146-F150 WeakPolarHBondContact O-CD2 3.22Å; I146-F150 WeakPolarHBondContact O-CG 3.41Å; C147-F150 PolarHBondContact O-N 3.06Å; F150-T152 PolarHBondContact O-N 2.91Å; F150-I154 HydrophobicContact CB-CD1 4.45Å; F150-I154 HydrophobicContact CD1-CD1 3.86Å; F150-I154 HydrophobicContact CD1-CG1 3.75Å; F150-I154 HydrophobicContact CE1-CG1 4.5Å
151S43.1Very low49.2Very low98 Ų9874.8 Ų74.869%0.68542%0.416SS*.SBendtrans-66.4-2.3179.9-68.40000114C147C147-S151 PolarHBondContact O-N 3.29Å; C147-S151 PolarHBondContact O-OG 3.37Å
152T41.7Very low48.4Very low102 Ų10274.8 Ų74.863%0.62642%0.423SS*.SBendtrans-140.1-3.8-176.964.80000120E65 F150E65-T152 PolarHBondContact OE1-OG1 3.28Å; F150-T152 PolarHBondContact O-N 2.91Å
153N45.7Very low47.7Very low89 Ų8980 Ų8048%0.47645%0.451SS..  trans-15840.4-168.3-112.9-50.2000119.3A155N153-A155 PolarHBondContact O-N 3.39Å
154I43.4Very low47.2Very low88 Ų8877.7 Ų77.745%0.45145%0.45SS..  trans-76.695.5162.4-66.9173.4000107.8Y105 F150 S156Y105-I154 VanDerWaalsContact OH-CD1 3.28Å; Y105-I154 WeakPolarHBondContact OH-CD1 3.32Å; F150-I154 HydrophobicContact CB-CD1 4.45Å; F150-I154 HydrophobicContact CD1-CD1 3.86Å; F150-I154 HydrophobicContact CD1-CG1 3.75Å; F150-I154 HydrophobicContact CE1-CG1 4.5Å; I154-S156 VanDerWaalsContact C-N 3.3Å; I154-S156 PolarHBondContact O-N 3.5Å
155A44.4Very low46.4Very low65 Ų6580.4 Ų80.454%0.53746%0.463SS..  trans-62.6100.1158.900000107N153 W157N153-A155 PolarHBondContact O-N 3.39Å; A155-W157 PolarHBondContact O-N 2.88Å
156S47.7Very low45.9Very low42 Ų4289.3 Ų89.329%0.29450%0.502SS..  trans-53.2135.2162.6175.40000107I154 D158 D159 A160I154-S156 VanDerWaalsContact C-N 3.3Å; I154-S156 PolarHBondContact O-N 3.5Å; S156-D158 PolarHBondContact O-N 3.38Å; S156-D158 WeakPolarHBondContact OG-CB 3.42Å; S156-D158 PolarHBondContact OG-N 2.89Å; S156-D158 VanDerWaalsContact OG-N 3.15Å; S156-D159 PolarHBondContact O-N 3Å; S156-A160 PolarHBondContact O-N 3.34Å
157W49.1Very low45.2Very low59 Ų5992.1 Ų92.122%0.22352%0.524CS..Hα-helixtrans-54.2-22.9171.4-7599.6000112.2A23 L26 L30 A155 D159 F161A23-W157 HydrophobicContact CB-CB 4.48Å; L26-W157 HydrophobicContact CB-CH2 4.07Å; L26-W157 HydrophobicContact CB-CZ2 4.25Å; L26-W157 HydrophobicContact CD1-CH2 3.65Å; L26-W157 HydrophobicContact CD1-CZ3 3.65Å; L26-W157 HydrophobicContact CG-CH2 4.42Å; L30-W157 HydrophobicContact CD1-CZ2 4.16Å; A155-W157 PolarHBondContact O-N 2.88Å; W157-D159 VanDerWaalsContact C-N 3.31Å; W157-F161 WeakPolarHBondContact O-CD2 3.44Å
158D48.5Very low44.4Very low110 Ų11091.4 Ų91.459%0.58853%0.532SS*.Hα-helixtrans-67.4-30.9175.7-65.1-35.6000112.7S156S156-D158 PolarHBondContact O-N 3.38Å; S156-D158 WeakPolarHBondContact OG-CB 3.42Å; S156-D158 PolarHBondContact OG-N 2.89Å; S156-D158 VanDerWaalsContact OG-N 3.15Å
159D49Very low43.6Very low120 Ų12092.2 Ų92.264%0.64254%0.54SS*.Hα-helixtrans-91-25.9-178.2-63.6-37.7000113.1S156 W157 F161 G162S156-D159 PolarHBondContact O-N 3Å; W157-D159 VanDerWaalsContact C-N 3.31Å; D159-F161 PolarHBondContact O-N 3.46Å; D159-G162 PolarHBondContact O-N 3.21Å
160A46.4Very low43.1Very low69 Ų6996.1 Ų96.157%0.5757%0.568SS**Hα-helixtrans-65.1-22.4179.700000113S156 G162S156-A160 PolarHBondContact O-N 3.34Å; A160-G162 PolarHBondContact O-N 2.91Å
161F41.2Very low42.3Very low88 Ų88103.5 Ų103.539%0.38660%0.6SS.*SBendtrans-95.780.2167.3-62.5-80.2000108.7R19 W157 D159 D163R19-F161 VanDerWaalsContact CZ-O 3.23Å; R19-F161 PolarHBondContact NH1-O 3.39Å; R19-F161 PolarHBondContact NH2-O 3.36Å; W157-F161 WeakPolarHBondContact O-CD2 3.44Å; D159-F161 PolarHBondContact O-N 3.46Å; F161-D163 PolarHBondContact O-N 3.49Å
162G40.7Very low42Very low49 Ų49106.1 Ų106.151%0.50560%0.602SS.*  trans-43.4140.2179.400000113.3D159 A160 I164D159-G162 PolarHBondContact O-N 3.21Å; A160-G162 PolarHBondContact O-N 2.91Å; G162-I164 PolarHBondContact O-N 3.48Å; G162-I164 VanDerWaalsContact O-N 3.17Å
163D41.6Very low41.7Very low117 Ų117108 Ų10863%0.62661%0.606SS**  trans-64.1116.1168.5-84.4-31.2000109K15 R19 F161 N165K15-D163 IonicContact NZ-OD1 2.68Å; R19-D163 IonicContact NH1-OD1 3.85Å; F161-D163 PolarHBondContact O-N 3.49Å; D163-N165 PolarHBondContact O-N 3.42Å
164I43.1Very low41Very low132 Ų132109.5 Ų109.568%0.67761%0.613SS**  trans-67.892.6173-47169.4000105.9G162G162-I164 PolarHBondContact O-N 3.48Å; G162-I164 VanDerWaalsContact O-N 3.17Å
165N41.9Very low40.6Very low123 Ų123109.6 Ų109.666%0.65862%0.621SS**  trans-54.4143.3166.9-62.5-27.3000107.8D163 S167D163-N165 PolarHBondContact O-N 3.42Å; N165-S167 PolarHBondContact O-N 2.96Å
166K47.8Very low40.2Very low225 Ų225114.5 Ų114.598%0.97863%0.633SS**SBendtrans-56.312.6-169.2-70.6177174.4175.50117.4
167S40.9Very low39.5Very low89 Ų89120.2 Ų120.262%0.62265%0.653SS**SBendtrans-103100.416754.70000108.5N165 N169N165-S167 PolarHBondContact O-N 2.96Å; S167-N169 PolarHBondContact O-N 2.93Å
168G33.1Very low38.9Very low71 Ų71126.1 Ų126.173%0.73268%0.681SS**  trans-58.8101.4168.500000109.5
169N33.1Very low38.1Very low154 Ų154126.9 Ų126.982%0.82469%0.692SS**  trans-155.5134.3160.8-103.6-0.8000108.7S167S167-N169 PolarHBondContact O-N 2.93Å
170S34.3Very low37.6Very low100 Ų100126.2 Ų126.270%0.69970%0.696SS**  trans-3.6132.7178.257.70000120.7E172S170-E172 PolarHBondContact O-N 2.84Å; S170-E172 VanDerWaalsContact O-N 3.07Å
171F32.7Very low37.2Very low184 Ų184131.2 Ų131.281%0.80771%0.708SS**  trans-54.497.6161.5-176.6-98000111.4I173F171-I173 HydrophobicContact CD1-CG1 4.22Å; F171-I173 HydrophobicContact CE1-CD1 3.73Å; F171-I173 HydrophobicContact CE1-CG1 3.46Å; F171-I173 VanDerWaalsContact CE1-CG1 3.46Å; F171-I173 HydrophobicContact CZ-CD1 3.96Å; F171-I173 HydrophobicContact CZ-CG1 3.64Å
172E35.7Very low36.7Very low153 Ų153133.5 Ų133.572%0.71573%0.733SS**  trans-100121.6156.1-76.5-173.9162.200107.5S170 I174S170-E172 PolarHBondContact O-N 2.84Å; S170-E172 VanDerWaalsContact O-N 3.07Å; E172-I174 HydrophobicContact CB-CG1 4.2Å; E172-I174 PolarHBondContact O-N 3.35Å
173I35.3Very low36.4Very low141 Ų141138.1 Ų138.172%0.72375%0.745SS**  trans-68.688.4165.3-59.5175.7000105.8F171 S175F171-I173 HydrophobicContact CD1-CG1 4.22Å; F171-I173 HydrophobicContact CE1-CD1 3.73Å; F171-I173 HydrophobicContact CE1-CG1 3.46Å; F171-I173 VanDerWaalsContact CE1-CG1 3.46Å; F171-I173 HydrophobicContact CZ-CD1 3.96Å; F171-I173 HydrophobicContact CZ-CG1 3.64Å; I173-S175 PolarHBondContact O-N 3.34Å
174I30.9Very low36.1Very low120 Ų120138.1 Ų138.162%0.61576%0.755SS**  trans-72.798.4171.9-58.7173.8000106.1E172 Q176E172-I174 HydrophobicContact CB-CG1 4.2Å; E172-I174 PolarHBondContact O-N 3.35Å; I174-Q176 VanDerWaalsContact C-N 3.32Å; I174-Q176 HydrophobicContact CG2-CG 3.96Å; I174-Q176 PolarHBondContact O-N 2.67Å
175S36.2Very low35.9Very low90 Ų90136.3 Ų136.363%0.62975%0.753SS**  trans-59.199.3160.6-177.40000107.2I173 F177I173-S175 PolarHBondContact O-N 3.34Å; S175-F177 PolarHBondContact O-N 3.05Å
176Q34.8Very low35.6Very low168 Ų168138.9 Ų138.979%0.78576%0.762SS**  trans-77.160.2174.2-65.5-169.827.700109.9I174 K178I174-Q176 VanDerWaalsContact C-N 3.32Å; I174-Q176 HydrophobicContact CG2-CG 3.96Å; I174-Q176 PolarHBondContact O-N 2.67Å; Q176-K178 PolarHBondContact O-N 3.12Å
177F33.8Very low35.1Very low162 Ų162136.4 Ų136.471%0.71176%0.759SS**  trans-81.191.2156.4-99.9-91.3000107.3S175 P179S175-F177 PolarHBondContact O-N 3.05Å; F177-P179 WeakPolarHBondContact O-CD 3.46Å
178K35.6Very low34.7Very low184 Ų184136.4 Ų136.480%0.877%0.765SS**  trans-76.7116.4157.9-89.2-179.2175.3177.60107.1Q176 S180Q176-K178 PolarHBondContact O-N 3.12Å; K178-S180 PolarHBondContact O-N 3.3Å
179P31.6Very low35.1Very low126 Ų126141.9 Ų141.982%0.81877%0.771SS**  trans-69.3104.4161.528-27.2000106.5F177 E181F177-P179 WeakPolarHBondContact O-CD 3.46Å; P179-E181 PolarHBondContact O-N 3.17Å; P179-E181 VanDerWaalsContact O-N 3.12Å
180S40.1Very low35.4Very low105 Ų105140.5 Ų140.573%0.73477%0.772SS**  trans-65.4109.6170.750.70000108.9K178K178-S180 PolarHBondContact O-N 3.3Å
181E36.7Very low35.4Very low175 Ų175143 Ų14382%0.81878%0.777SS**  trans28.994.1140.7-65.2178.7164.200116.3P179 L183P179-E181 PolarHBondContact O-N 3.17Å; P179-E181 VanDerWaalsContact O-N 3.12Å; E181-L183 PolarHBondContact O-N 3.11Å; E181-L183 VanDerWaalsContact O-N 3.11Å
182C31.2Very low35.6Very low135 Ų135141.9 Ų141.991%0.91277%0.774SS**  trans-63.5104.8160.1-58.80000109.3
183L34.4Very low35.6Very low146 Ų146141.6 Ų141.676%0.76478%0.778SS**  trans-105140.1160.8-71.5176.2000109.2E181E181-L183 PolarHBondContact O-N 3.11Å; E181-L183 VanDerWaalsContact O-N 3.11Å
184S35.3Very low35.6Very low118 Ų118140.8 Ų140.883%0.82578%0.783SS**  trans70.1139.5170.969.60000115.8
185S38.8Very low35.9Very low93 Ų93142.9 Ų142.965%0.6579%0.794SS**  cis-173.7137.2-1.938.20000105.3
186E34.7Very low35.9Very low178 Ų178144.6 Ų144.683%0.83280%0.803SS**  trans31.3101.1132-50.7175.7144.900116.3
187N38.8Very low35.9Very low172 Ų172140.4 Ų140.492%0.9281%0.805SS**  trans-166.6111.9133.7-90.2-30.5000109.3
188A32.8Very low35.7Very low90 Ų90137.9 Ų137.974%0.74481%0.807SS**  trans-79.4164.4167.500000109.8
189E40.9Very low35.9Very low185 Ų185137.8 Ų137.886%0.86481%0.814SS**  trans90.399.9166.9-50.5-172156.600116.2
190C39.7Very low36.1Very low125 Ų125139.4 Ų139.485%0.84581%0.811SS**  171.991.4126.1-87.70000107.6
191L33Very low36Very low154 Ų154141.2 Ų141.281%0.80681%0.812SS**  70.893.494.5-146.1101.5000112.1
192E37.1Very low36.2Very low160 Ų160142.4 Ų142.475%0.74881%0.814SS**  54.1112.6114.5-56.8-154.6155.600115.5
193D36.9Very low36.6Very low147 Ų147144.7 Ų144.779%0.78681%0.812SS**  170.3148.7107.9-96.4-35.6000112.7
194C34.5Very low37.1Very low123 Ų123143.1 Ų143.183%0.83181%0.813SS**  trans92.380.3162.2-57.30000120.4
195I37Very low37.7Very low164 Ų164141.5 Ų141.584%0.84181%0.806SS**  trans-109.6147.7130.7-47179.5000103.5
196P37.1Very low37.9Very low127 Ų127144.1 Ų144.183%0.82581%0.813SS**  cis-154.6173.145.637.8-13.4000118.5
197G34Very low38.4Very low80 Ų80143.6 Ų143.683%0.82582%0.816SS**  trans-171.870.3168.400000113.9
198S29.3Very low38.5Very low109 Ų109143.9 Ų143.976%0.76281%0.812SS**  trans-77.2135.4166.9-171.70000110.1
199L40.4Very low39.2Very low181 Ų181147.7 Ų147.795%0.94882%0.818SS**  trans-134.1115.8159.2-93.7173.3000109.1
200E35.8Very low39.3Very low160 Ų160143.8 Ų143.875%0.74881%0.811SS**  trans-80.4170.3175.4-64.8-171110.800113.4
201L37Very low39Very low143 Ų143144 Ų14475%0.74981%0.811SS**  trans82.2113.2150.7-74.4149.4000118
202K42.4Very low39.4Very low200 Ų200141.4 Ų141.487%0.8781%0.812SS**  -175141.779.6-126.7168177.9174.50113.9
203E38.3Very low39.3Very low184 Ų184138.7 Ų138.786%0.8682%0.816SS**  trans-72.4144.6175.3-128.1176.4124.600113.8
204S46.2Very low39.5Very low113 Ų113138.5 Ų138.579%0.7982%0.82SS**  trans169.5112.8140.458.40000107.4
205A47.2Very low39.9Very low83 Ų83137.8 Ų137.869%0.68682%0.817SS**  111117.772.400000109.1
206D43.2Very low40Very low149 Ų149135.9 Ų135.980%0.79781%0.812SS**  trans52.9113.1147.3-48-39.2000120.5
207D45.6Very low40.2Very low166 Ų166135.7 Ų135.789%0.88881%0.809SS**  -167.9132.9109.3-107.4-39.6000112.3
208E39.9Very low40.5Very low178 Ų178139.4 Ų139.483%0.83281%0.809SS**  trans-57.8149.6170.4-74.417893.900111.9
209I46.8Very low41.4Very low171 Ų171142.3 Ų142.388%0.87781%0.81SS**  -172.2131.6128.5-87.7145.4000109.4
210S43.3Very low41.4Very low102 Ų102140.3 Ų140.371%0.71380%0.8SS**PPolyproline II helixtrans-64.1161.6-170.958.40000117.6
211P34.7Very low42.3Very low130 Ų130140.7 Ų140.784%0.84480%0.802SS**PPolyproline II helixtrans-88.5127.8176.434.7-29.1000112
212A40.6Very low42.9Very low100 Ų100139.4 Ų139.483%0.82680%0.801SS**PPolyproline II helixtrans-92.5124.917100000110.9
213A35.7Very low42.6Very low102 Ų102139.4 Ų139.484%0.84380%0.801SS**PPolyproline II helixtrans-61140.3176.800000112.8
214V41.3Very low43.2Very low144 Ų144138.7 Ų138.787%0.87380%0.802SS**  trans-108.5117.2163.7177.80000108.2
215S42.2Very low43.2Very low108 Ų108139 Ų13976%0.75580%0.804SS**  trans-74.1137.3-176.8-167.90000111.8
216V38.7Very low43.6Very low123 Ų123139 Ų13975%0.74581%0.812SS**  trans-88.9123.2170.9171.40000108.4L218V216-L218 HydrophobicContact CG1-CG 4.49Å
217V42.3Very low43.7Very low124 Ų124139.1 Ų139.175%0.75281%0.813SS**  trans-94.5111.5168.2174.40000107.9Q219V217-Q219 HydrophobicContact CG1-CG 4.48Å
218L40.1Very low43.8Very low158 Ų158137.5 Ų137.583%0.82780%0.804SS**PPolyproline II helixtrans-98.6120.4163.7-95.8154.5000107.3V216V216-L218 HydrophobicContact CG1-CG 4.49Å
219Q48Very low44.2Very low169 Ų169138 Ų13879%0.7981%0.806SS**PPolyproline II helixtrans-87.1129.1167.5-81.6-174.8-16.600109.6V217V217-Q219 HydrophobicContact CG1-CG 4.48Å
220D39.4Very low44.2Very low139 Ų139134 Ų13474%0.74380%0.798SS**PPolyproline II helixtrans-82.3120.7178.2-16512.3000107.9
221E55.5Low44.4Very low169 Ų169136.3 Ų136.379%0.7980%0.798SS**  trans-114117.9170.9-76-75.6135.200108.3
222T49.8Very low45.2Very low116 Ų116137.2 Ų137.271%0.71279%0.789SS**  trans-78.7131.7-167.5-50.30000111.1
223F36.4Very low45.6Very low200 Ų200142.9 Ų142.988%0.87779%0.789SS**  trans-65.7129.9164.7-83.2-102.6000110.9
224L50.4Low46.2Very low168 Ų168144.6 Ų144.688%0.8878%0.779SS**  trans-136.8126.2150.6-77.5-180000111.3
225S45.4Very low46.7Very low120 Ų120145.5 Ų145.584%0.83977%0.772SS**  trans-71.8155.2179.656.20000113.9
226G55.2Low47Very low83 Ų83145.3 Ų145.386%0.85677%0.766SS**  trans-167.285.4161.900000111.5
227D47Very low47.4Very low151 Ų151147.5 Ų147.581%0.80777%0.768SS**  trans-85.1150.6168.4-93.9-31.8000111.7
228D46.4Very low47.6Very low133 Ų133147.9 Ų147.971%0.71177%0.771SS**  trans63.8114.9150.3-67-30.7000121.4
229H48Very low47.9Very low188 Ų188145.1 Ų145.187%0.8777%0.765SS**  -172.4138.196.7-102.6-74.1000113.2
230A47.2Very low47.8Very low86 Ų86144.2 Ų144.271%0.71177%0.765SS**  trans-68.7152.5176.700000114.5
231E48.2Very low48.3Very low152 Ų152142.9 Ų142.971%0.7177%0.767SS**  175.6128.8113.5-100.5-162.7139.900114.1
232K50.6Low47.6Very low149 Ų149140.6 Ų140.665%0.64877%0.766SS**  trans72.9127.8131.9-82.1175.3-179.7154.10123.6
233R49.6Very low47.4Very low219 Ų219143.1 Ų143.183%0.82678%0.775SS**  trans81.1147.9140.7-71.3173.5175.4-172.9-0.8116.5
234E49.4Very low47.5Very low137 Ų137139.5 Ų139.564%0.6477%0.769SS**  cis-174.3143.2-23.9-168.8-172.313600102.4
235K51.3Low47.3Very low164 Ų164140.6 Ų140.671%0.71377%0.769SS**  trans86.5125.4145.2-117.6-179.9-165.5126.60122.1
236T47.4Very low47.2Very low104 Ų104140.5 Ų140.564%0.63876%0.764SS**  trans96.496.8135.42.40000120.3
237E48.5Very low46.5Very low169 Ų169142.3 Ų142.379%0.7976%0.761SS**  58.2135.8122.8-62.4-176.8141.100123.7
238T45Very low46.2Very low131 Ų131145 Ų14580%0.80477%0.765SS**  trans94.7112.7139.635.70000122.1
239S46.9Very low45.9Very low101 Ų101145.1 Ų145.171%0.70677%0.77SS**  trans58.2112.7137.2-127.40000120.5
240D46Very low45.4Very low150 Ų150139.2 Ų139.280%0.80276%0.761SS**  169.1143.592.9-95.7-20.2000111.8
241S50.5Low44.8Very low111 Ų111141.1 Ų141.178%0.77676%0.764SS**  trans-59.1-172.4-176.2-52.40000116.2
242P41.4Very low44.3Very low120 Ų120139.1 Ų139.178%0.77976%0.762SS**  -125.3155.6-60.133.9-18.7000110.8
243L43.8Very low43.5Very low170 Ų170141.2 Ų141.289%0.8977%0.771SS**  trans-138.8127.5169-121.1148.1000112.3
244V40.2Very low42.7Very low124 Ų124139.2 Ų139.275%0.75277%0.769SS**  trans-56.6122.2-179.4173.50000111
245E44.4Very low41.7Very low190 Ų190138.7 Ų138.789%0.88878%0.775SS**  trans-134.8120.1157.6-74.8-162.4151.300110.4
246T43.7Very low40.7Very low119 Ų119139 Ų13973%0.7378%0.783SS**PPolyproline II helixtrans-75.5137.7173.543.50000110K248T246-K248 PolarHBondContact O-N 2.83Å
247P40.7Very low39.8Very low121 Ų121139.4 Ų139.479%0.78679%0.786SS**PPolyproline II helixtrans-81.1117.9170.627.7-23.7000109.6V249P247-V249 PolarHBondContact O-N 3.07Å
248K41.9Very low39.1Very low206 Ų206139 Ų13990%0.89678%0.781SS**PPolyproline II helixtrans-54.1119.2168.2-80.9170.7176.41660109.9T246 G250T246-K248 PolarHBondContact O-N 2.83Å; K248-G250 PolarHBondContact O-N 3.39Å; K248-G250 VanDerWaalsContact O-N 3.13Å
249V40.1Very low38.3Very low136 Ų136138.8 Ų138.882%0.82478%0.783SS**  trans-64.2107170.1176.50000108.6P247 T251P247-V249 PolarHBondContact O-N 3.07Å; V249-T251 PolarHBondContact O-N 3.41Å
250G37.4Very low37.7Very low65 Ų65142.9 Ų142.967%0.6779%0.785SS**  trans-74.5115172.600000110.4K248 T252K248-G250 PolarHBondContact O-N 3.39Å; K248-G250 VanDerWaalsContact O-N 3.13Å; G250-T252 PolarHBondContact O-N 3.25Å; G250-T252 VanDerWaalsContact O-N 3.15Å
251T34.6Very low37.2Very low126 Ų126144.2 Ų144.277%0.77379%0.788SS**  trans-7693.5173.5-39.50000109.5V249 K253V249-T251 PolarHBondContact O-N 3.41Å; T251-K253 PolarHBondContact O-N 3.13Å
252T37.8Very low36.5Very low110 Ų110147.1 Ų147.168%0.67579%0.789SS**  trans-74.1106.8166.635.10000109.5G250 F254G250-T252 PolarHBondContact O-N 3.25Å; G250-T252 VanDerWaalsContact O-N 3.15Å; T252-F254 PolarHBondContact O-N 3.43Å
253K33.1Very low36.4Very low192 Ų192147 Ų14784%0.83579%0.788SS**  trans-70.1112.3167.8-72.7179.6177.7176.50108.8T251T251-K253 PolarHBondContact O-N 3.13Å
254F32.9Very low36.1Very low178 Ų178145 Ų14578%0.78179%0.787SS**  trans-85.1120.4166.1-72.1-83.7000109.4T252 L256T252-F254 PolarHBondContact O-N 3.43Å; F254-L256 PolarHBondContact O-N 3.15Å
255V27.4Very low36Very low126 Ų126150.6 Ų150.676%0.76480%0.795SS**  trans-78.7106.1169177.10000107.3T257V255-T257 PolarHBondContact O-N 3.26Å; V255-T257 VanDerWaalsContact O-N 3.12Å
256L30.4Very low36.2Very low170 Ų170147.8 Ų147.889%0.8979%0.79SS**  trans-7493.9168.4-107.8134.7000108.5F254 K258F254-L256 PolarHBondContact O-N 3.15Å; L256-K258 PolarHBondContact O-N 3.25Å
257T29.8Very low36.3Very low112 Ų112147.5 Ų147.569%0.68779%0.791SS**  trans-66.2119.1168.9-47.70000108.5V255 C259V255-T257 PolarHBondContact O-N 3.26Å; V255-T257 VanDerWaalsContact O-N 3.12Å; T257-C259 PolarHBondContact O-N 3.27Å
258K32.7Very low36.5Very low162 Ų162150 Ų15070%0.70479%0.792SS**  trans-57.9109.6173.6-76.5-179.4176.2177.90109.8L256 Y260L256-K258 PolarHBondContact O-N 3.25Å; K258-Y260 HydrophobicContact CB-CD2 4.07Å; K258-Y260 HydrophobicContact CB-CE2 4.09Å; K258-Y260 HydrophobicContact CD-CE2 3.86Å; K258-Y260 PolarHBondContact O-N 3.03Å; K258-Y260 VanDerWaalsContact O-N 3.11Å
259C29.3Very low36.9Very low125 Ų125145 Ų14585%0.84579%0.789SS**  trans-7495.8162.8-65.20000108.6T257 M261T257-C259 PolarHBondContact O-N 3.27Å; C259-M261 PolarHBondContact O-N 3.41Å
260Y32.9Very low37.6Very low188 Ų188146.9 Ų146.974%0.73779%0.788SS**  trans-73.1105.8161.9-86.2-92.7000108.1K258 H262K258-Y260 HydrophobicContact CB-CD2 4.07Å; K258-Y260 HydrophobicContact CB-CE2 4.09Å; K258-Y260 HydrophobicContact CD-CE2 3.86Å; K258-Y260 PolarHBondContact O-N 3.03Å; K258-Y260 VanDerWaalsContact O-N 3.11Å; Y260-H262 PolarHBondContact O-N 2.93Å
261M35.9Very low37.9Very low177 Ų177147.4 Ų147.487%0.87279%0.794SS**  trans-75114.3161.9-77.6-111.992.400107.8C259C259-M261 PolarHBondContact O-N 3.41Å
262H36.4Very low38.8Very low173 Ų173149.6 Ų149.680%0.80180%0.8SS**  trans-62.6140.6167.9-98.1-63.2000110Y260 C264Y260-H262 PolarHBondContact O-N 2.93Å; H262-C264 PolarHBondContact O-N 3.3Å
263P39.6Very low39.4Very low117 Ų117156 Ų15676%0.7681%0.812SS**  trans-66.2120.5171.326.9-30.7000108.9R265P263-R265 PolarHBondContact O-N 2.73Å
264C37.2Very low40.7Very low128 Ų128158.5 Ų158.587%0.86582%0.816SS**  trans-60.1110.5170.3-70.10000109.2H262 V266H262-C264 PolarHBondContact O-N 3.3Å; C264-V266 PolarHBondContact O-N 3.49Å
265R38.9Very low42.1Very low241 Ų241155 Ų15591%0.90981%0.814SS**PPolyproline II helixtrans-63.1123.3163.9-95.6179.3169.7161.9-3.8108.8P263P263-R265 PolarHBondContact O-N 2.73Å
266V46.7Very low43.8Very low131 Ų131155 Ų15579%0.79482%0.817SS**PPolyproline II helixtrans-65.5131.3166-1720000108C264 E268C264-V266 PolarHBondContact O-N 3.49Å; V266-E268 PolarHBondContact O-N 3.25Å
267P47Very low45.7Very low114 Ų114153.8 Ų153.874%0.7482%0.816SS**PPolyproline II helixtrans-75121.4174.127.9-29000110A269P267-A269 PolarHBondContact O-N 2.89Å
268E45.7Very low47.3Very low172 Ų172160.4 Ų160.480%0.80484%0.839SS**  trans-62.2113.6165.1-79.6-178.813900109.3V266 H270V266-E268 PolarHBondContact O-N 3.25Å; E268-H270 PolarHBondContact O-N 2.68Å; E268-H270 VanDerWaalsContact O-N 3.1Å
269A50.2Low48Very low102 Ų102160.4 Ų160.484%0.84385%0.845SS**  trans-74.897172.900000109.6P267P267-A269 PolarHBondContact O-N 2.89Å
270H53.9Low49Very low175 Ų175162.2 Ų162.281%0.8185%0.846SS**  trans-62.7133.3166.9-85.6-83.2000111.2E268E268-H270 PolarHBondContact O-N 2.68Å; E268-H270 VanDerWaalsContact O-N 3.1Å
271G44.1Very low49.9Very low77 Ų77160.8 Ų160.879%0.79485%0.852SS**  trans-60.6134.7-170.400000115.9
272L52.1Low50.7Low172 Ų172159.8 Ų159.890%0.90185%0.85SS**  trans-97.8102.6158.7-92.2156000108.6R274L272-R274 PolarHBondContact O-N 3.19Å
273R52.1Low51.6Low243 Ų243159 Ų15992%0.91785%0.853SS**PPolyproline II helixtrans-53.2122.2166.3-75.6-175.2171.8-169.8-1.7109.8
274R59.6Low52.4Low245 Ų245161.8 Ų161.893%0.92586%0.86SS**PPolyproline II helixtrans-99.9117155.1-75.3-172.6176.9-172.80.4108.1L272L272-R274 PolarHBondContact O-N 3.19Å
275S61.7Low53.5Low105 Ų105164.2 Ų164.273%0.73486%0.859SS**PPolyproline II helixtrans-65.9147.5167.7-61.90000110.5
276P63.6Low54.6Low127 Ų127158.3 Ų158.383%0.82586%0.855SS**PPolyproline II helixtrans-77.4133.4169.231-28.6000109.6
277V69.5Low55.2Low144 Ų144160.6 Ų160.687%0.87386%0.861SS**PPolyproline II helixtrans-84.2133.31651760000107.5
278H63.4Low56Low251 Ų251164.8 Ų164.8100%1.16287%0.871SS**  trans-67.40176.3-122-58.2000113

Retrieved 278 of 278 residues in 93.5 ms (Link to these results)

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