A0A087X357_POEFO Loading...

Centrosomal protein 72

AlphaFold DB , UniProt , Accession A0A087X357, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 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
1M37.6Very low62.5Low241 Ų24178.5 Ų78.5100%1.18748%0.479SS*.  0108.80-65.4-54.2-17000108.3
2A41.8Very low63.8Low98 Ų9880.8 Ų80.881%0.8148%0.48SS*.  trans-93.4130.8173.700000108.6
3A45.7Very low65.3Low60 Ų6077.7 Ų77.750%0.49646%0.455SS..  trans-66.8132.9179.200000110.8C5 H37A3-C5 PolarHBondContact O-N 2.75Å; A3-C5 VanDerWaalsContact O-N 3.12Å; A3-H37 VanDerWaalsContact CB-O 3.3Å; A3-H37 WeakPolarHBondContact CB-O 3.41Å
4V56.5Low66.5Low100 Ų10072.1 Ų72.161%0.60642%0.423SS*.EExtended strand (participates in β ladder)trans-79.694.7177.6-177.90000108.4L6 E38 E39V4-L6 PolarHBondContact O-N 3.45Å; V4-E38 CarbonylContact C-O 3.55Å; V4-E38 VanDerWaalsContact CA-O 3.31Å; V4-E38 WeakPolarHBondContact CA-O 3.33Å; V4-E38 WeakPolarHBondContact CB-O 3.33Å; V4-E38 PolarHBondContact N-O 2.85Å; V4-E39 WeakPolarHBondContact O-CA 3.42Å
5C57.9Low67.5Low42 Ų4272.1 Ų72.128%0.28441%0.412SS..EExtended strand (participates in β ladder)trans-77.2108.2-179.2-150.10000109.8A3 T7 K40 R42A3-C5 PolarHBondContact O-N 2.75Å; A3-C5 VanDerWaalsContact O-N 3.12Å; C5-T7 PolarHBondContact O-N 2.93Å; C5-K40 PolarHBondContact SG-O 3.34Å; C5-R42 WeakPolarHBondContact SG-CD 3.38Å; C5-R42 WeakPolarHBondContact SG-CG 3.39Å; C5-R42 PolarHBondContact SG-NH1 3.44Å
6L62.6Low68.2Low42 Ų4273.9 Ų73.922%0.2242%0.42CS..EExtended strand (participates in β ladder)trans-65.2105.3171.8-72.4169.6000108.5V4 T8 W13 E39 K40 R42V4-L6 PolarHBondContact O-N 3.45Å; L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 3.08Å; L6-W13 HydrophobicContact CD1-CD2 4.35Å; L6-W13 HydrophobicContact CD1-CZ2 3.71Å; L6-E39 HydrophobicContact CD1-CB 3.99Å; L6-E39 HydrophobicContact CD1-CG 4.29Å; L6-K40 PolarHBondContact N-O 2.94Å; L6-R42 PolarHBondContact O-N 3.45Å
7T64Low68.8Low93 Ų9374.2 Ų74.257%0.57141%0.413SS*.EExtended strand (participates in β ladder)trans-60.2-45.6-179.746.70000110.9C5 H43C5-T7 PolarHBondContact O-N 2.93Å; T7-H43 WeakPolarHBondContact O-CB 3.48Å; T7-H43 PolarHBondContact O-CD2 2.9Å; T7-H43 VanDerWaalsContact O-CD2 3.24Å; T7-H43 PolarHBondContact O-N 2.88Å
8T73.9Confident69.2Low73 Ų7373.6 Ų73.645%0.44841%0.409SS..EExtended strand (participates in β ladder)trans-133.6129.8-178.6-43.30000111.3L6 H43L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 3.08Å; T8-H43 WeakPolarHBondContact CA-O 3.39Å; T8-H43 HydrophobicContact CG2-CB 4.49Å
9L81.9Confident69.5Low5 Ų578.2 Ų78.23%0.02643%0.427CS..  trans-65.2138169.6-173.961000110W13 I14 L33 I41 H43 L44 A47L9-W13 HydrophobicContact CD1-CD2 4.23Å; L9-W13 HydrophobicContact CD1-CE3 3.28Å; L9-W13 HydrophobicContact CD1-CH2 4.5Å; L9-W13 HydrophobicContact CD1-CZ3 3.45Å; L9-W13 VanDerWaalsContact CD1-CZ3 3.45Å; L9-I14 HydrophobicContact CD1-CD1 4.27Å; L9-I14 HydrophobicContact CD1-CG1 3.85Å; L9-I14 HydrophobicContact CD2-CD1 3.95Å; L9-I14 HydrophobicContact CD2-CG1 4.41Å; L9-I14 HydrophobicContact CG-CD1 4.07Å; L9-I14 HydrophobicContact CG-CG1 4.2Å; L9-L33 HydrophobicContact CD2-CD1 4.41Å; L9-I41 HydrophobicContact CB-CG2 3.97Å; L9-I41 HydrophobicContact CD1-CD1 3.83Å; L9-I41 HydrophobicContact CD1-CG1 4.21Å; L9-I41 HydrophobicContact CD2-CD1 4.4Å; L9-H43 WeakPolarHBondContact CB-O 3.31Å; L9-H43 PolarHBondContact N-O 3.15Å; L9-L44 HydrophobicContact CD2-CD2 3.74Å; L9-A47 HydrophobicContact CB-CB 4.16Å; L9-A47 HydrophobicContact CD2-CB 4.13Å; L9-A47 HydrophobicContact CG-CB 3.73Å; L9-A47 WeakPolarHBondContact O-CB 3.38Å
10T82.6Confident69.5Low74 Ų7476.6 Ų76.645%0.45442%0.417SS..  trans-120.3151.5171.767.30000110.1Q12 W13 I14 A47T10-Q12 VanDerWaalsContact C-N 3.27Å; T10-Q12 PolarHBondContact O-N 3.38Å; T10-W13 PolarHBondContact O-N 3.4Å; T10-W13 WeakPolarHBondContact OG1-CB 3.27Å; T10-W13 PolarHBondContact OG1-N 2.96Å; T10-I14 WeakPolarHBondContact O-CG1 3.34Å; T10-I14 PolarHBondContact O-N 3.1Å; T10-A47 VanDerWaalsContact C-CB 3.5Å
11E83.1Confident69.1Low35 Ų3582.4 Ų82.416%0.16444%0.439CS..Hα-helixtrans-62-38.8177.3-175.6-173.1150.900111.6W13 I14 R15 L25 H50E11-W13 VanDerWaalsContact C-N 3.33Å; E11-W13 PolarHBondContact O-N 3.19Å; E11-I14 WeakPolarHBondContact O-CB 3.31Å; E11-I14 PolarHBondContact O-N 3.1Å; E11-I14 VanDerWaalsContact O-N 3.07Å; E11-R15 WeakPolarHBondContact O-CG 3.4Å; E11-R15 PolarHBondContact O-N 2.91Å; E11-R15 IonicContact OE1-CZ 3.88Å; E11-R15 IonicContact OE1-NE 2.91Å; E11-R15 PolarHBondContact OE1-NE 2.91Å; E11-R15 IonicContact OE1-NH2 2.68Å; E11-R15 PolarHBondContact OE1-NH2 3.22Å; E11-L25 HydrophobicContact CG-CD1 3.68Å; E11-L25 WeakPolarHBondContact OE1-CD1 3.39Å; E11-H50 IonicContact OE1-ND1 3.84Å; E11-H50 IonicContact OE2-CE1 3.41Å; E11-H50 PolarHBondContact OE2-CE1 3.44Å; E11-H50 IonicContact OE2-CG 3.75Å; E11-H50 IonicContact OE2-ND1 2.67Å; E11-H50 PolarHBondContact OE2-ND1 3.03Å
12Q78.2Confident70.2Confident106 Ų10678 Ų7850%0.49542%0.415SS..Hα-helixtrans-60.5-42.8178.7-171.157.935.400111.4T10 I14 R15 D16T10-Q12 VanDerWaalsContact C-N 3.27Å; T10-Q12 PolarHBondContact O-N 3.38Å; Q12-I14 VanDerWaalsContact C-N 3.3Å; Q12-I14 PolarHBondContact O-N 3.47Å; Q12-R15 WeakPolarHBondContact O-CB 3.5Å; Q12-R15 PolarHBondContact O-N 2.88Å; Q12-R15 VanDerWaalsContact O-N 3.09Å; Q12-D16 PolarHBondContact NE2-OD1 3.22Å; Q12-D16 PolarHBondContact NE2-OD2 3Å; Q12-D16 VanDerWaalsContact O-CG 3.23Å; Q12-D16 PolarHBondContact O-N 3.34Å
13W83.4Confident71.3Confident41 Ų4177.5 Ų77.516%0.15540%0.403CS..Hα-helixtrans-60.7-38173.9-178.693.4000112.3L6 L9 T10 E11 R17 L33 E39 I41L6-W13 HydrophobicContact CD1-CD2 4.35Å; L6-W13 HydrophobicContact CD1-CZ2 3.71Å; L9-W13 HydrophobicContact CD1-CD2 4.23Å; L9-W13 HydrophobicContact CD1-CE3 3.28Å; L9-W13 HydrophobicContact CD1-CH2 4.5Å; L9-W13 HydrophobicContact CD1-CZ3 3.45Å; L9-W13 VanDerWaalsContact CD1-CZ3 3.45Å; T10-W13 PolarHBondContact O-N 3.4Å; T10-W13 WeakPolarHBondContact OG1-CB 3.27Å; T10-W13 PolarHBondContact OG1-N 2.96Å; E11-W13 VanDerWaalsContact C-N 3.33Å; E11-W13 PolarHBondContact O-N 3.19Å; W13-R17 VanDerWaalsContact CH2-CD 3.43Å; W13-R17 WeakPolarHBondContact O-CB 3.39Å; W13-R17 PolarHBondContact O-N 3.17Å; W13-L33 HydrophobicContact CZ3-CD1 4.46Å; W13-L33 HydrophobicContact CZ3-CD2 4Å; W13-E39 WeakPolarHBondContact CZ2-OE2 3.48Å; W13-E39 PolarHBondContact NE1-OE1 3.48Å; W13-E39 PolarHBondContact NE1-OE2 3.5Å; W13-I41 HydrophobicContact CH2-CD1 4.01Å; W13-I41 HydrophobicContact CH2-CG1 4.36Å; W13-I41 HydrophobicContact CZ3-CD1 4Å
14I82.2Confident72.1Confident0 Ų082.7 Ų82.70%042%0.415CS..Hα-helixtrans-64.2-42.7174.2-57.4170.3000110.7L9 T10 E11 Q12 L18 L20 L31 L33 A47 L48 F51L9-I14 HydrophobicContact CD1-CD1 4.27Å; L9-I14 HydrophobicContact CD1-CG1 3.85Å; L9-I14 HydrophobicContact CD2-CD1 3.95Å; L9-I14 HydrophobicContact CD2-CG1 4.41Å; L9-I14 HydrophobicContact CG-CD1 4.07Å; L9-I14 HydrophobicContact CG-CG1 4.2Å; T10-I14 WeakPolarHBondContact O-CG1 3.34Å; T10-I14 PolarHBondContact O-N 3.1Å; E11-I14 WeakPolarHBondContact O-CB 3.31Å; E11-I14 PolarHBondContact O-N 3.1Å; E11-I14 VanDerWaalsContact O-N 3.07Å; Q12-I14 VanDerWaalsContact C-N 3.3Å; Q12-I14 PolarHBondContact O-N 3.47Å; I14-L18 HydrophobicContact CG2-CD1 3.93Å; I14-L18 WeakPolarHBondContact O-CB 3.33Å; I14-L18 PolarHBondContact O-N 3Å; I14-L18 VanDerWaalsContact O-N 3.11Å; I14-L20 HydrophobicContact CG2-CD1 4.34Å; I14-L31 HydrophobicContact CG2-CD1 3.99Å; I14-L33 HydrophobicContact CD1-CD1 4.17Å; I14-L33 HydrophobicContact CG1-CD1 3.97Å; I14-L33 HydrophobicContact CG2-CD1 4.37Å; I14-L33 HydrophobicContact CG2-CD2 4.44Å; I14-A47 HydrophobicContact CD1-CB 4.06Å; I14-L48 HydrophobicContact CD1-CD2 3.96Å; I14-F51 HydrophobicContact CD1-CE2 4.1Å; I14-F51 HydrophobicContact CD1-CZ 4.39Å; I14-F51 HydrophobicContact CG2-CZ 3.8Å
15R80.7Confident72.8Confident71 Ų7178.2 Ų78.227%0.26839%0.387SS..Hα-helixtrans-62.5-46.5178-69.6175.4178-135.5-0.1111.8E11 Q12 Q19 L20 L25E11-R15 WeakPolarHBondContact O-CG 3.4Å; E11-R15 PolarHBondContact O-N 2.91Å; E11-R15 IonicContact OE1-CZ 3.88Å; E11-R15 IonicContact OE1-NE 2.91Å; E11-R15 PolarHBondContact OE1-NE 2.91Å; E11-R15 IonicContact OE1-NH2 2.68Å; E11-R15 PolarHBondContact OE1-NH2 3.22Å; Q12-R15 WeakPolarHBondContact O-CB 3.5Å; Q12-R15 PolarHBondContact O-N 2.88Å; Q12-R15 VanDerWaalsContact O-N 3.09Å; R15-Q19 CarbonylContact O-C 3.54Å; R15-Q19 VanDerWaalsContact O-CA 3.3Å; R15-Q19 WeakPolarHBondContact O-CA 3.39Å; R15-Q19 PolarHBondContact O-N 3.03Å; R15-L20 PolarHBondContact O-N 3.48Å; R15-L25 HydrophobicContact CG-CD1 4.2Å
16D79.7Confident73.5Confident101 Ų10177.2 Ų77.254%0.5439%0.385SS..Hα-helixtrans-68.5-47.8-177.7-63.1-25.3000110.9Q12 L18 Q19Q12-D16 PolarHBondContact NE2-OD1 3.22Å; Q12-D16 PolarHBondContact NE2-OD2 3Å; Q12-D16 VanDerWaalsContact O-CG 3.23Å; Q12-D16 PolarHBondContact O-N 3.34Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 2.9Å; D16-Q19 PolarHBondContact O-N 3.41Å
17R77.9Confident74.2Confident79 Ų7979.8 Ų79.830%0.29840%0.399SS..Hα-helixtrans-61.7-37.1179.4-167.1-164-157.8-119.76.7113.3W13 P34W13-R17 VanDerWaalsContact CH2-CD 3.43Å; W13-R17 WeakPolarHBondContact O-CB 3.39Å; W13-R17 PolarHBondContact O-N 3.17Å; R17-P34 PolarHBondContact NH2-O 3.35Å
18L76.1Confident75.1Confident64 Ų6476.9 Ų76.934%0.33538%0.381SS..THydrogen-bonded Turntrans-1027.4-177.9-61178.6000113.3I14 D16 L20 L31 L33I14-L18 HydrophobicContact CG2-CD1 3.93Å; I14-L18 WeakPolarHBondContact O-CB 3.33Å; I14-L18 PolarHBondContact O-N 3Å; I14-L18 VanDerWaalsContact O-N 3.11Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 2.9Å; L18-L20 HydrophobicContact CB-CD1 3.92Å; L18-L20 HydrophobicContact CB-CD2 4.41Å; L18-L20 HydrophobicContact CB-CG 3.78Å; L18-L20 HydrophobicContact CD1-CD1 4.25Å; L18-L20 PolarHBondContact O-N 3.34Å; L18-L31 HydrophobicContact CD1-CD1 3.28Å; L18-L33 HydrophobicContact CD1-CD2 3.88Å; L18-L33 HydrophobicContact CD2-CD2 4.47Å; L18-L33 HydrophobicContact CG-CD2 4.2Å
19Q74.4Confident75.6Confident161 Ų16181 Ų8175%0.75239%0.388SS*.THydrogen-bonded Turntrans50.138.9-179.6-55.8-178.29.200113.6R15 D16 K21R15-Q19 CarbonylContact O-C 3.54Å; R15-Q19 VanDerWaalsContact O-CA 3.3Å; R15-Q19 WeakPolarHBondContact O-CA 3.39Å; R15-Q19 PolarHBondContact O-N 3.03Å; D16-Q19 PolarHBondContact O-N 3.41Å; Q19-K21 PolarHBondContact O-N 3.29Å
20L69.3Low75.9Confident45 Ų4585.3 Ų85.324%0.23642%0.415CS..  trans-77.291.7-173.2-65.3168.9000111.2I14 R15 L18 H22 L25I14-L20 HydrophobicContact CG2-CD1 4.34Å; R15-L20 PolarHBondContact O-N 3.48Å; L18-L20 HydrophobicContact CB-CD1 3.92Å; L18-L20 HydrophobicContact CB-CD2 4.41Å; L18-L20 HydrophobicContact CB-CG 3.78Å; L18-L20 HydrophobicContact CD1-CD1 4.25Å; L18-L20 PolarHBondContact O-N 3.34Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 2.86Å; L20-L25 HydrophobicContact CB-CD2 4.2Å; L20-L25 HydrophobicContact CD1-CD2 3.94Å
21K62Low76.3Confident199 Ų19982 Ų8287%0.86539%0.394SS*.  trans-74-8.2177.9-61.1-175.8-178.2-178.50114.9Q19Q19-K21 PolarHBondContact O-N 3.29Å
22H61Low76.6Confident149 Ų14982.7 Ų82.769%0.6940%0.403SS*.  trans-84.6132.9-178.5-96.4-70.8000112.1L20 F24L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 2.86Å; H22-F24 VanDerWaalsContact C-N 3.3Å; H22-F24 PolarHBondContact O-N 2.9Å
23P63.8Low77.1Confident87 Ų8777.7 Ų77.757%0.56538%0.38SS*.SBendtrans-70.7-22.8-178.927-34.3000113.8
24F63.9Low77.2Confident170 Ų17077.7 Ų77.775%0.74639%0.385SS*.  trans-106.895.7-178.6-63.9-72.3000111.6H22 G26H22-F24 VanDerWaalsContact C-N 3.3Å; H22-F24 PolarHBondContact O-N 2.9Å; F24-G26 PolarHBondContact O-N 3.33Å
25L70.5Confident77.3Confident5 Ų578.3 Ų78.33%0.02639%0.392CS..G310 helixtrans-71.2-9.5175.5-59.2-178.1000113.6E11 R15 L20 D27 V28 H50 F51E11-L25 HydrophobicContact CG-CD1 3.68Å; E11-L25 WeakPolarHBondContact OE1-CD1 3.39Å; R15-L25 HydrophobicContact CG-CD1 4.2Å; L20-L25 HydrophobicContact CB-CD2 4.2Å; L20-L25 HydrophobicContact CD1-CD2 3.94Å; L25-D27 PolarHBondContact O-N 3.41Å; L25-D27 VanDerWaalsContact O-N 3.11Å; L25-V28 WeakPolarHBondContact O-CB 3.43Å; L25-V28 WeakPolarHBondContact O-CG2 3.38Å; L25-V28 PolarHBondContact O-N 3.14Å; L25-V28 VanDerWaalsContact O-N 3.1Å; L25-H50 CarbonylContact C-O 3.44Å; L25-H50 HydrophobicContact CB-CB 4.34Å; L25-F51 HydrophobicContact CB-CD1 4.39Å; L25-F51 HydrophobicContact CB-CE1 4.16Å; L25-F51 HydrophobicContact CB-CE2 4.38Å; L25-F51 HydrophobicContact CB-CZ 4.17Å; L25-F51 HydrophobicContact CD1-CE1 4.4Å; L25-F51 HydrophobicContact CD1-CE2 3.75Å; L25-F51 HydrophobicContact CD1-CZ 3.64Å; L25-F51 HydrophobicContact CG-CZ 4.33Å
26G71.5Confident77.3Confident22 Ų2277.7 Ų77.723%0.22740%0.396CS..G310 helixtrans-61.1-19.9-177.200000115.4F24 H50 R53F24-G26 PolarHBondContact O-N 3.33Å; G26-H50 WeakPolarHBondContact CA-O 3.48Å; G26-H50 PolarHBondContact N-O 3.27Å; G26-H50 VanDerWaalsContact N-O 3.17Å; G26-R53 WeakPolarHBondContact O-CB 3.45Å; G26-R53 VanDerWaalsContact O-CD 3.25Å; G26-R53 WeakPolarHBondContact O-CD 3.24Å; G26-R53 WeakPolarHBondContact O-CG 3.49Å; G26-R53 PolarHBondContact O-N 2.92Å
27D77.7Confident77Confident95 Ų9581.3 Ų81.351%0.50841%0.409SS..G310 helixtrans-92.7-5.4177.6-89.5-38.1000115L25 R29 R53L25-D27 PolarHBondContact O-N 3.41Å; L25-D27 VanDerWaalsContact O-N 3.11Å; D27-R29 PolarHBondContact O-N 2.84Å; D27-R53 VanDerWaalsContact OD1-CD 3.31Å; D27-R53 WeakPolarHBondContact OD1-CD 3.35Å; D27-R53 IonicContact OD1-CZ 3.2Å; D27-R53 IonicContact OD1-NE 2.66Å; D27-R53 IonicContact OD1-NH1 3.92Å; D27-R53 PolarHBondContact OD1-NH1 3.29Å; D27-R53 IonicContact OD2-NH1 3.53Å
28V83.1Confident76.8Confident33 Ų3384.6 Ų84.620%0.243%0.428CS..  trans-66.1117176.8178.20000109.7L25 T30 F51 L54L25-V28 WeakPolarHBondContact O-CB 3.43Å; L25-V28 WeakPolarHBondContact O-CG2 3.38Å; L25-V28 PolarHBondContact O-N 3.14Å; L25-V28 VanDerWaalsContact O-N 3.1Å; V28-T30 WeakPolarHBondContact CG1-O 3.3Å; V28-F51 HydrophobicContact CB-CD1 3.89Å; V28-F51 HydrophobicContact CB-CE1 4.06Å; V28-F51 HydrophobicContact CG1-CD1 4.07Å; V28-F51 HydrophobicContact CG1-CE1 4.06Å; V28-F51 HydrophobicContact CG2-CD1 4.43Å; V28-F51 HydrophobicContact CG2-CE1 4.19Å; V28-L54 HydrophobicContact CG1-CD1 4.15Å; V28-L54 WeakPolarHBondContact O-CA 3.48Å; V28-L54 PolarHBondContact O-N 3.3Å
29R85.4Confident76.9Confident158 Ų15884.9 Ų84.960%0.59643%0.427SS*.  trans-95.2-26.2-178.3-63.6-177.8-176-173.30.6113.8D27 K55 S56D27-R29 PolarHBondContact O-N 2.84Å; R29-K55 WeakPolarHBondContact O-CA 3.5Å; R29-K55 WeakPolarHBondContact O-CB 3.47Å; R29-K55 PolarHBondContact O-N 2.84Å; R29-S56 PolarHBondContact O-N 2.99Å
30T88.1Confident77.4Confident97 Ų9780.1 Ų80.160%0.59540%0.404SS*.EExtended strand (participates in β ladder)trans-133.3130.5-179.5-59.70000108.7V28 S56V28-T30 WeakPolarHBondContact CG1-O 3.3Å; T30-S56 CarbonylContact C-O 3.15Å; T30-S56 WeakPolarHBondContact CA-O 3.19Å
31L89.8Confident78.2Confident3 Ų378 Ų782%0.01639%0.393CS..EExtended strand (participates in β ladder)trans-132.7124178.9-179.260.7000107.7I14 L18 L33 L48 F51 L54 S56 L57 D58I14-L31 HydrophobicContact CG2-CD1 3.99Å; L18-L31 HydrophobicContact CD1-CD1 3.28Å; L31-L33 HydrophobicContact CD1-CD1 4.12Å; L31-L33 HydrophobicContact CD1-CD2 4.28Å; L31-L33 HydrophobicContact CD1-CG 3.99Å; L31-L33 HydrophobicContact CD2-CD1 3.98Å; L31-L33 HydrophobicContact CG-CD1 3.98Å; L31-L33 HydrophobicContact CG-CG 4.03Å; L31-L48 HydrophobicContact CD2-CD2 3.69Å; L31-F51 HydrophobicContact CD1-CE1 4.35Å; L31-F51 HydrophobicContact CD2-CD1 4.13Å; L31-F51 HydrophobicContact CD2-CE1 3.96Å; L31-F51 HydrophobicContact CD2-CZ 4.2Å; L31-L54 HydrophobicContact CB-CD1 3.56Å; L31-L54 HydrophobicContact CB-CD2 4.13Å; L31-L54 HydrophobicContact CB-CG 4.49Å; L31-L54 HydrophobicContact CD2-CD2 4.31Å; L31-S56 PolarHBondContact N-O 3.28Å; L31-L57 HydrophobicContact CB-CD1 4.1Å; L31-L57 HydrophobicContact CD2-CD1 3.97Å; L31-L57 HydrophobicContact CG-CD1 4.03Å; L31-L57 CarbonylContact O-C 3.38Å; L31-L57 WeakPolarHBondContact O-CA 3.41Å; L31-D58 PolarHBondContact O-N 3.12Å
32S90.1Very high79.3Confident51 Ų5173.7 Ų73.736%0.35737%0.371SS..EExtended strand (participates in β ladder)trans-124.2117.1176.3174.90000108.1P34 D58S32-P34 WeakPolarHBondContact OG-CD 3.33Å; S32-D58 PolarHBondContact OG-OD2 2.88Å
33L87.7Confident80.4Confident0 Ų070.5 Ų70.50%036%0.357CS..  trans-129.658.8-177.3-65.2175.3000109.5L9 W13 I14 L18 L31 G35 D58 L59 N62L9-L33 HydrophobicContact CD2-CD1 4.41Å; W13-L33 HydrophobicContact CZ3-CD1 4.46Å; W13-L33 HydrophobicContact CZ3-CD2 4Å; I14-L33 HydrophobicContact CD1-CD1 4.17Å; I14-L33 HydrophobicContact CG1-CD1 3.97Å; I14-L33 HydrophobicContact CG2-CD1 4.37Å; I14-L33 HydrophobicContact CG2-CD2 4.44Å; L18-L33 HydrophobicContact CD1-CD2 3.88Å; L18-L33 HydrophobicContact CD2-CD2 4.47Å; L18-L33 HydrophobicContact CG-CD2 4.2Å; L31-L33 HydrophobicContact CD1-CD1 4.12Å; L31-L33 HydrophobicContact CD1-CD2 4.28Å; L31-L33 HydrophobicContact CD1-CG 3.99Å; L31-L33 HydrophobicContact CD2-CD1 3.98Å; L31-L33 HydrophobicContact CG-CD1 3.98Å; L31-L33 HydrophobicContact CG-CG 4.03Å; L33-G35 PolarHBondContact O-N 2.86Å; L33-D58 PolarHBondContact N-O 3.35Å; L33-L59 HydrophobicContact CB-CD2 4.02Å; L33-L59 HydrophobicContact CD1-CD2 4.49Å; L33-N62 PolarHBondContact O-ND2 3.21Å
34P86.8Confident81.2Confident41 Ų4166.5 Ų66.527%0.26633%0.331SS..  trans-65.4136.217728.2-35.6000109.8R17 S32 S60R17-P34 PolarHBondContact NH2-O 3.35Å; S32-P34 WeakPolarHBondContact OG-CD 3.33Å; P34-S60 CarbonylContact C-O 3.58Å; P34-S60 WeakPolarHBondContact CA-O 3.4Å
35G83.1Confident82Confident14 Ų1460.1 Ų60.114%0.14431%0.313CS..  trans-64.4150.5176.500000111.8L33 S60 N62L33-G35 PolarHBondContact O-N 2.86Å; G35-S60 PolarHBondContact N-O 3.49Å; G35-N62 WeakPolarHBondContact CA-OD1 3.49Å; G35-N62 PolarHBondContact N-ND2 3.19Å
36T81.4Confident82.4Confident57 Ų5763.9 Ų63.935%0.3534%0.339SS..  trans-106.2178.8175.369.10000110.4E38 E39 K40T36-E38 PolarHBondContact O-N 2.96Å; T36-E38 PolarHBondContact OG1-N 2.89Å; T36-E39 PolarHBondContact N-O 3.47Å; T36-E39 PolarHBondContact OG1-N 2.93Å; T36-K40 WeakPolarHBondContact O-CE 3.46Å; T36-K40 WeakPolarHBondContact O-CG 3.32Å
37H73.9Confident82.8Confident177 Ų17763 Ų6382%0.81933%0.33SS*.SBendtrans-68.4-24.8172.6-69.8-82.3000112.5A3A3-H37 VanDerWaalsContact CB-O 3.3Å; A3-H37 WeakPolarHBondContact CB-O 3.41Å
38E73.2Confident83Confident149 Ų14958.4 Ų58.470%0.69631%0.306SS*.SBendtrans-96.8-40.1-176-65.8176.4175.700111.8V4 T36V4-E38 CarbonylContact C-O 3.55Å; V4-E38 VanDerWaalsContact CA-O 3.31Å; V4-E38 WeakPolarHBondContact CA-O 3.33Å; V4-E38 WeakPolarHBondContact CB-O 3.33Å; V4-E38 PolarHBondContact N-O 2.85Å; T36-E38 PolarHBondContact O-N 2.96Å; T36-E38 PolarHBondContact OG1-N 2.89Å
39E79.4Confident83Confident69 Ų6960.5 Ų60.532%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-120121.8-176.5-64.2-172.2141.200111.8V4 L6 W13 T36V4-E39 WeakPolarHBondContact O-CA 3.42Å; L6-E39 HydrophobicContact CD1-CB 3.99Å; L6-E39 HydrophobicContact CD1-CG 4.29Å; W13-E39 WeakPolarHBondContact CZ2-OE2 3.48Å; W13-E39 PolarHBondContact NE1-OE1 3.48Å; W13-E39 PolarHBondContact NE1-OE2 3.5Å; T36-E39 PolarHBondContact N-O 3.47Å; T36-E39 PolarHBondContact OG1-N 2.93Å
40K83.8Confident82.8Confident61 Ų6158 Ų5827%0.26531%0.311SS..EExtended strand (participates in β ladder)trans-132.2125.4176.2-65.6-173.1178-172.90112.1C5 L6 T36 A63C5-K40 PolarHBondContact SG-O 3.34Å; L6-K40 PolarHBondContact N-O 2.94Å; T36-K40 WeakPolarHBondContact O-CE 3.46Å; T36-K40 WeakPolarHBondContact O-CG 3.32Å; K40-A63 HydrophobicContact CB-CB 4.15Å
41I86.4Confident82.5Confident1 Ų153.4 Ų53.41%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-76.8131.5179.3-57.4161.4000110.4L9 W13 L44 L59 N62 A63 I64L9-I41 HydrophobicContact CB-CG2 3.97Å; L9-I41 HydrophobicContact CD1-CD1 3.83Å; L9-I41 HydrophobicContact CD1-CG1 4.21Å; L9-I41 HydrophobicContact CD2-CD1 4.4Å; W13-I41 HydrophobicContact CH2-CD1 4.01Å; W13-I41 HydrophobicContact CH2-CG1 4.36Å; W13-I41 HydrophobicContact CZ3-CD1 4Å; I41-L44 HydrophobicContact CG2-CD2 4.26Å; I41-L59 HydrophobicContact CD1-CD2 4.4Å; I41-N62 HydrophobicContact CB-CB 4.3Å; I41-N62 WeakPolarHBondContact CB-OD1 3.47Å; I41-N62 WeakPolarHBondContact CG1-OD1 3.3Å; I41-N62 PolarHBondContact N-OD1 3.46Å; I41-A63 CarbonylContact O-C 3.6Å; I41-A63 WeakPolarHBondContact O-CA 3.42Å; I41-A63 PolarHBondContact O-N 3.26Å; I41-I64 HydrophobicContact CG2-CG1 4.38Å; I41-I64 PolarHBondContact O-N 2.9Å
42R85Confident82.1Confident108 Ų10857.2 Ų57.241%0.40831%0.308SS..EExtended strand (participates in β ladder)trans-103.3-41172-53.4-176.190.7117.2-6.5114.2C5 L6 A63 I64 V65C5-R42 WeakPolarHBondContact SG-CD 3.38Å; C5-R42 WeakPolarHBondContact SG-CG 3.39Å; C5-R42 PolarHBondContact SG-NH1 3.44Å; L6-R42 PolarHBondContact O-N 3.45Å; R42-A63 WeakPolarHBondContact CA-O 3.25Å; R42-A63 HydrophobicContact CG-CB 4.16Å; R42-I64 WeakPolarHBondContact O-CA 3.38Å; R42-V65 PolarHBondContact O-N 3.39Å; R42-V65 VanDerWaalsContact O-N 3.15Å
43H83.4Confident81.9Confident83 Ų8361 Ų6138%0.38431%0.314SS..EExtended strand (participates in β ladder)trans-127.5136.6-179.8-60.4-80.6000111T7 T8 L9T7-H43 WeakPolarHBondContact O-CB 3.48Å; T7-H43 PolarHBondContact O-CD2 2.9Å; T7-H43 VanDerWaalsContact O-CD2 3.24Å; T7-H43 PolarHBondContact O-N 2.88Å; T8-H43 WeakPolarHBondContact CA-O 3.39Å; T8-H43 HydrophobicContact CG2-CB 4.49Å; L9-H43 WeakPolarHBondContact CB-O 3.31Å; L9-H43 PolarHBondContact N-O 3.15Å
44L81.7Confident81.9Confident2 Ų261 Ų611%0.0132%0.315CS..  trans-82.1-24-178.9-64.8172.2000113.4L9 I41 A47 L48 L59 I64 L67 V70L9-L44 HydrophobicContact CD2-CD2 3.74Å; I41-L44 HydrophobicContact CG2-CD2 4.26Å; L44-A47 PolarHBondContact O-N 3.37Å; L44-L48 HydrophobicContact CD1-CD1 4.38Å; L44-L48 HydrophobicContact CD2-CD1 4.38Å; L44-L59 HydrophobicContact CD1-CD1 4.03Å; L44-L59 HydrophobicContact CD2-CD1 3.9Å; L44-L59 HydrophobicContact CD2-CD2 4.03Å; L44-I64 HydrophobicContact CD2-CD1 4.11Å; L44-I64 HydrophobicContact CG-CD1 4.49Å; L44-L67 HydrophobicContact CD1-CD2 4.46Å; L44-V70 HydrophobicContact CD1-CG1 3.88Å
45G80.3Confident82.2Confident36 Ų3663.1 Ų63.137%0.37132%0.32SS..THydrogen-bonded Turntrans53.5-143.5178.200000113.3G69G45-G69 WeakPolarHBondContact O-CA 3.35Å
46S79.4Confident82.6Confident84 Ų8463.5 Ų63.559%0.58732%0.32SS*.THydrogen-bonded Turntrans-91.12.2175.151.60000113.9L48 N49S46-L48 PolarHBondContact O-N 2.88Å; S46-L48 VanDerWaalsContact O-N 3.09Å; S46-N49 VanDerWaalsContact O-CB 3.26Å; S46-N49 WeakPolarHBondContact O-CB 3.36Å; S46-N49 PolarHBondContact O-N 3.3Å; S46-N49 PolarHBondContact O-OD1 3.44Å
47A80Confident83.2Confident3 Ų360.8 Ų60.83%0.02530%0.304CS..THydrogen-bonded Turntrans-61.9-23.4-17200000114.4L9 T10 I14 L44L9-A47 HydrophobicContact CB-CB 4.16Å; L9-A47 HydrophobicContact CD2-CB 4.13Å; L9-A47 HydrophobicContact CG-CB 3.73Å; L9-A47 WeakPolarHBondContact O-CB 3.38Å; T10-A47 VanDerWaalsContact C-CB 3.5Å; I14-A47 HydrophobicContact CD1-CB 4.06Å; L44-A47 PolarHBondContact O-N 3.37Å
48L81.2Confident84.1Confident0 Ų053.8 Ų53.80%027%0.272CS..THydrogen-bonded Turntrans-91.30.1179.3-61.5179.9000113.4I14 L31 L44 S46 H50 F51 L57 V70 H72 L73I14-L48 HydrophobicContact CD1-CD2 3.96Å; L31-L48 HydrophobicContact CD2-CD2 3.69Å; L44-L48 HydrophobicContact CD1-CD1 4.38Å; L44-L48 HydrophobicContact CD2-CD1 4.38Å; S46-L48 PolarHBondContact O-N 2.88Å; S46-L48 VanDerWaalsContact O-N 3.09Å; L48-H50 VanDerWaalsContact C-N 3.31Å; L48-H50 PolarHBondContact O-N 2.85Å; L48-F51 HydrophobicContact CD2-CD2 4.22Å; L48-F51 HydrophobicContact CD2-CE2 4.44Å; L48-F51 PolarHBondContact O-N 3.28Å; L48-F51 VanDerWaalsContact O-N 3.14Å; L48-L57 HydrophobicContact CD1-CD2 3.9Å; L48-V70 HydrophobicContact CD1-CG1 3.81Å; L48-H72 PolarHBondContact O-NE2 2.9Å; L48-L73 HydrophobicContact CD1-CD1 4.34Å
49N82.5Confident84.9Confident76 Ų7646.7 Ų46.741%0.40624%0.239SC..THydrogen-bonded Turntrans-59-37.3-172.4-757.5000113.6S46 F51 H72S46-N49 VanDerWaalsContact O-CB 3.26Å; S46-N49 WeakPolarHBondContact O-CB 3.36Å; S46-N49 PolarHBondContact O-N 3.3Å; S46-N49 PolarHBondContact O-OD1 3.44Å; N49-F51 VanDerWaalsContact C-N 3.32Å; N49-F51 PolarHBondContact O-N 2.95Å; N49-H72 WeakPolarHBondContact CA-NE2 3.34Å; N49-H72 PolarHBondContact OD1-CE1 2.91Å
50H81.1Confident85.5Confident107 Ų10744 Ų4450%0.49523%0.228SC..THydrogen-bonded Turntrans-81.9-2.5-178.5-62112.9000114.7E11 L25 G26 L48 C52E11-H50 IonicContact OE1-ND1 3.84Å; E11-H50 IonicContact OE2-CE1 3.41Å; E11-H50 PolarHBondContact OE2-CE1 3.44Å; E11-H50 IonicContact OE2-CG 3.75Å; E11-H50 IonicContact OE2-ND1 2.67Å; E11-H50 PolarHBondContact OE2-ND1 3.03Å; L25-H50 CarbonylContact C-O 3.44Å; L25-H50 HydrophobicContact CB-CB 4.34Å; G26-H50 WeakPolarHBondContact CA-O 3.48Å; G26-H50 PolarHBondContact N-O 3.27Å; G26-H50 VanDerWaalsContact N-O 3.17Å; L48-H50 VanDerWaalsContact C-N 3.31Å; L48-H50 PolarHBondContact O-N 2.85Å; H50-C52 VanDerWaalsContact C-N 3.29Å; H50-C52 PolarHBondContact O-N 2.86Å; H50-C52 VanDerWaalsContact O-N 3.14Å
51F82.6Confident85.8Confident0 Ų046.9 Ų46.90%024%0.238CC..  trans-89.247.5-176.7-69.6-95.3000113.1I14 L25 V28 L31 L48 N49 R53 L54 L73I14-F51 HydrophobicContact CD1-CE2 4.1Å; I14-F51 HydrophobicContact CD1-CZ 4.39Å; I14-F51 HydrophobicContact CG2-CZ 3.8Å; L25-F51 HydrophobicContact CB-CD1 4.39Å; L25-F51 HydrophobicContact CB-CE1 4.16Å; L25-F51 HydrophobicContact CB-CE2 4.38Å; L25-F51 HydrophobicContact CB-CZ 4.17Å; L25-F51 HydrophobicContact CD1-CE1 4.4Å; L25-F51 HydrophobicContact CD1-CE2 3.75Å; L25-F51 HydrophobicContact CD1-CZ 3.64Å; L25-F51 HydrophobicContact CG-CZ 4.33Å; V28-F51 HydrophobicContact CB-CD1 3.89Å; V28-F51 HydrophobicContact CB-CE1 4.06Å; V28-F51 HydrophobicContact CG1-CD1 4.07Å; V28-F51 HydrophobicContact CG1-CE1 4.06Å; V28-F51 HydrophobicContact CG2-CD1 4.43Å; V28-F51 HydrophobicContact CG2-CE1 4.19Å; L31-F51 HydrophobicContact CD1-CE1 4.35Å; L31-F51 HydrophobicContact CD2-CD1 4.13Å; L31-F51 HydrophobicContact CD2-CE1 3.96Å; L31-F51 HydrophobicContact CD2-CZ 4.2Å; L48-F51 HydrophobicContact CD2-CD2 4.22Å; L48-F51 HydrophobicContact CD2-CE2 4.44Å; L48-F51 PolarHBondContact O-N 3.28Å; L48-F51 VanDerWaalsContact O-N 3.14Å; N49-F51 VanDerWaalsContact C-N 3.32Å; N49-F51 PolarHBondContact O-N 2.95Å; F51-R53 PolarHBondContact O-N 3.41Å; F51-L54 HydrophobicContact CB-CB 4.27Å; F51-L54 WeakPolarHBondContact O-CB 3.45Å; F51-L54 PolarHBondContact O-N 3.01Å; F51-L54 VanDerWaalsContact O-N 3.09Å; F51-L73 HydrophobicContact CB-CD2 4.41Å; F51-L73 WeakPolarHBondContact O-CD2 3.42Å
52C81.7Confident86Confident83 Ų8347 Ų4756%0.56124%0.239SC*.THydrogen-bonded Turntrans-62.8-14.6-166.7-53.10000116.5H50H50-C52 VanDerWaalsContact C-N 3.29Å; H50-C52 PolarHBondContact O-N 2.86Å; H50-C52 VanDerWaalsContact O-N 3.14Å
53R84.9Confident86.2Confident129 Ų12942.4 Ų42.449%0.48722%0.223SC..THydrogen-bonded Turntrans-115.315.9178.1-55.4172.9174.2-174.5-3113.5G26 D27 F51 K55G26-R53 WeakPolarHBondContact O-CB 3.45Å; G26-R53 VanDerWaalsContact O-CD 3.25Å; G26-R53 WeakPolarHBondContact O-CD 3.24Å; G26-R53 WeakPolarHBondContact O-CG 3.49Å; G26-R53 PolarHBondContact O-N 2.92Å; D27-R53 VanDerWaalsContact OD1-CD 3.31Å; D27-R53 WeakPolarHBondContact OD1-CD 3.35Å; D27-R53 IonicContact OD1-CZ 3.2Å; D27-R53 IonicContact OD1-NE 2.66Å; D27-R53 IonicContact OD1-NH1 3.92Å; D27-R53 PolarHBondContact OD1-NH1 3.29Å; D27-R53 IonicContact OD2-NH1 3.53Å; F51-R53 PolarHBondContact O-N 3.41Å; R53-K55 PolarHBondContact O-N 3.15Å
54L88.8Confident86.5Confident1 Ų138.4 Ų38.41%0.00521%0.205CC..  trans-62.7129.2179.1-162.870.1000111.4V28 L31 F51 L57 L73 K75 L76V28-L54 HydrophobicContact CG1-CD1 4.15Å; V28-L54 WeakPolarHBondContact O-CA 3.48Å; V28-L54 PolarHBondContact O-N 3.3Å; L31-L54 HydrophobicContact CB-CD1 3.56Å; L31-L54 HydrophobicContact CB-CD2 4.13Å; L31-L54 HydrophobicContact CB-CG 4.49Å; L31-L54 HydrophobicContact CD2-CD2 4.31Å; F51-L54 HydrophobicContact CB-CB 4.27Å; F51-L54 WeakPolarHBondContact O-CB 3.45Å; F51-L54 PolarHBondContact O-N 3.01Å; F51-L54 VanDerWaalsContact O-N 3.09Å; L54-L57 HydrophobicContact CD2-CB 3.92Å; L54-L57 HydrophobicContact CD2-CD1 4.2Å; L54-L57 HydrophobicContact CD2-CD2 4.23Å; L54-L57 HydrophobicContact CD2-CG 4.35Å; L54-L73 HydrophobicContact CB-CD2 4.48Å; L54-L73 HydrophobicContact CD2-CD1 4.13Å; L54-K75 CarbonylContact O-C 3.38Å; L54-L76 HydrophobicContact CD2-CD1 4.22Å; L54-L76 HydrophobicContact CG-CD1 4.2Å; L54-L76 WeakPolarHBondContact O-CA 3.39Å; L54-L76 PolarHBondContact O-N 3.05Å
55K91.7Very high86.8Confident86 Ų8640.3 Ų40.337%0.37422%0.217SC..  trans-111.9-30.3179.4-76.9169.5164.7-81.60112.5R29 R53 E77 R78R29-K55 WeakPolarHBondContact O-CA 3.5Å; R29-K55 WeakPolarHBondContact O-CB 3.47Å; R29-K55 PolarHBondContact O-N 2.84Å; R53-K55 PolarHBondContact O-N 3.15Å; K55-E77 IonicContact NZ-OE1 2.65Å; K55-E77 PolarHBondContact NZ-OE1 2.89Å; K55-E77 WeakPolarHBondContact O-CA 3.19Å; K55-E77 PolarHBondContact O-N 3.32Å; K55-R78 PolarHBondContact O-N 3.2Å
56S92.6Very high87Confident22 Ų2239 Ų3915%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-132.7123.4-179.3-175.60000110R29 T30 L31 R78R29-S56 PolarHBondContact O-N 2.99Å; T30-S56 CarbonylContact C-O 3.15Å; T30-S56 WeakPolarHBondContact CA-O 3.19Å; L31-S56 PolarHBondContact N-O 3.28Å; S56-R78 WeakPolarHBondContact CA-O 3.43Å; S56-R78 WeakPolarHBondContact OG-CD 3.42Å
57L93.1Very high87.3Confident0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-124.8123176.2-179.852.5000109.2L31 L48 L54 L59 V70 L73 L76 R78 L79 I80L31-L57 HydrophobicContact CB-CD1 4.1Å; L31-L57 HydrophobicContact CD2-CD1 3.97Å; L31-L57 HydrophobicContact CG-CD1 4.03Å; L31-L57 CarbonylContact O-C 3.38Å; L31-L57 WeakPolarHBondContact O-CA 3.41Å; L48-L57 HydrophobicContact CD1-CD2 3.9Å; L54-L57 HydrophobicContact CD2-CB 3.92Å; L54-L57 HydrophobicContact CD2-CD1 4.2Å; L54-L57 HydrophobicContact CD2-CD2 4.23Å; L54-L57 HydrophobicContact CD2-CG 4.35Å; L57-L59 HydrophobicContact CD1-CD1 4.1Å; L57-L59 HydrophobicContact CD1-CD2 4.32Å; L57-L59 HydrophobicContact CD1-CG 3.89Å; L57-L59 HydrophobicContact CD2-CD1 3.76Å; L57-L59 HydrophobicContact CD2-CG 4.44Å; L57-L59 HydrophobicContact CG-CD1 3.77Å; L57-L59 HydrophobicContact CG-CG 3.95Å; L57-V70 HydrophobicContact CD2-CG1 3.76Å; L57-L73 HydrophobicContact CD2-CD1 4.19Å; L57-L76 HydrophobicContact CB-CD1 3.7Å; L57-L76 HydrophobicContact CB-CD2 4.44Å; L57-R78 PolarHBondContact N-O 3.02Å; L57-L79 HydrophobicContact CB-CD1 4.02Å; L57-L79 HydrophobicContact CD2-CD1 4.02Å; L57-L79 HydrophobicContact CG-CD1 3.95Å; L57-L79 CarbonylContact O-C 3.53Å; L57-L79 WeakPolarHBondContact O-CA 3.42Å; L57-I80 PolarHBondContact O-N 2.93Å
58D92.8Very high87.5Confident29 Ų2940.6 Ų40.616%0.15520%0.199CC..EExtended strand (participates in β ladder)trans-116.2122173.716632.9000109.4L31 S32 L33 S60 I80L31-D58 PolarHBondContact O-N 3.12Å; S32-D58 PolarHBondContact OG-OD2 2.88Å; L33-D58 PolarHBondContact N-O 3.35Å; D58-S60 VanDerWaalsContact OD1-CB 3.32Å; D58-S60 WeakPolarHBondContact OD1-CB 3.43Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 VanDerWaalsContact OD1-N 3.1Å; D58-S60 PolarHBondContact OD1-OG 3.11Å; D58-I80 HydrophobicContact CB-CB 4.25Å; D58-I80 HydrophobicContact CB-CD1 4.25Å; D58-I80 HydrophobicContact CB-CG1 4.47Å
59L91Very high87.5Confident0 Ų041 Ų410%020%0.204CC..  trans-129.627.3-176.4-73.3166.2000110.5L33 I41 L44 L57 N62 I64 L79 I80 L81 N84L33-L59 HydrophobicContact CB-CD2 4.02Å; L33-L59 HydrophobicContact CD1-CD2 4.49Å; I41-L59 HydrophobicContact CD1-CD2 4.4Å; L44-L59 HydrophobicContact CD1-CD1 4.03Å; L44-L59 HydrophobicContact CD2-CD1 3.9Å; L44-L59 HydrophobicContact CD2-CD2 4.03Å; L57-L59 HydrophobicContact CD1-CD1 4.1Å; L57-L59 HydrophobicContact CD1-CD2 4.32Å; L57-L59 HydrophobicContact CD1-CG 3.89Å; L57-L59 HydrophobicContact CD2-CD1 3.76Å; L57-L59 HydrophobicContact CD2-CG 4.44Å; L57-L59 HydrophobicContact CG-CD1 3.77Å; L57-L59 HydrophobicContact CG-CG 3.95Å; L59-N62 PolarHBondContact O-ND2 2.91Å; L59-I64 HydrophobicContact CB-CD1 3.76Å; L59-I64 HydrophobicContact CD1-CD1 3.88Å; L59-I64 HydrophobicContact CD2-CD1 4.14Å; L59-I64 HydrophobicContact CG-CD1 4.15Å; L59-L79 HydrophobicContact CD1-CD1 4.44Å; L59-I80 PolarHBondContact N-O 3.45Å; L59-L81 HydrophobicContact CB-CD2 3.99Å; L59-L81 HydrophobicContact CD1-CD2 4.13Å; L59-N84 PolarHBondContact O-ND2 2.82Å
60S91.9Very high87.7Confident13 Ų1337.4 Ų37.49%0.09119%0.185CC..THydrogen-bonded Turntrans-58153.8-177.5-56.40000113.2P34 G35 D58 N62 I80 Y82P34-S60 CarbonylContact C-O 3.58Å; P34-S60 WeakPolarHBondContact CA-O 3.4Å; G35-S60 PolarHBondContact N-O 3.49Å; D58-S60 VanDerWaalsContact OD1-CB 3.32Å; D58-S60 WeakPolarHBondContact OD1-CB 3.43Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 VanDerWaalsContact OD1-N 3.1Å; D58-S60 PolarHBondContact OD1-OG 3.11Å; S60-N62 PolarHBondContact O-N 3.1Å; S60-N62 VanDerWaalsContact O-N 3.12Å; S60-N62 PolarHBondContact O-ND2 3.38Å; S60-I80 VanDerWaalsContact OG-CG2 3.27Å; S60-I80 WeakPolarHBondContact OG-CG2 3.3Å; S60-Y82 CarbonylContact C-O 3.6Å; S60-Y82 WeakPolarHBondContact CA-O 3.34Å
61Y90.3Very high87.9Confident121 Ų12137 Ų3748%0.47518%0.181SC..THydrogen-bonded Turntrans60.916175-57.5-81.1000116.8Y82 Y83Y61-Y82 HydrophobicContact CE1-CD1 4.3Å; Y61-Y82 AromaticContact CE1-CE1 3.91Å; Y61-Y82 HydrophobicContact CE1-CE1 3.91Å; Y61-Y82 HydrophobicContact CE2-CD1 4.11Å; Y61-Y82 HydrophobicContact CE2-CE1 4.24Å; Y61-Y82 AromaticContact CZ-CD1 3.95Å; Y61-Y82 AromaticContact CZ-CE1 3.63Å; Y61-Y82 PolarHBondContact N-O 2.68Å; Y61-Y82 WeakPolarHBondContact OH-CE1 3.31Å; Y61-Y83 CarbonylContact C-O 3.47Å; Y61-Y83 VanDerWaalsContact CA-O 3.3Å; Y61-Y83 WeakPolarHBondContact CA-O 3.35Å; Y61-Y83 AromaticContact CD1-CD1 3.89Å; Y61-Y83 HydrophobicContact CD1-CD1 3.89Å; Y61-Y83 HydrophobicContact CD1-CG 4.07Å; Y61-Y83 HydrophobicContact CE1-CG 4.45Å; Y61-Y83 PolarHBondContact N-O 3.3Å
62N90.1Very high88.1Confident5 Ų540.1 Ų40.13%0.02720%0.196CC..SBendtrans-88.1-169.9174.3-76.1-70000111.8L33 G35 I41 L59 S60 I64 N84L33-N62 PolarHBondContact O-ND2 3.21Å; G35-N62 WeakPolarHBondContact CA-OD1 3.49Å; G35-N62 PolarHBondContact N-ND2 3.19Å; I41-N62 HydrophobicContact CB-CB 4.3Å; I41-N62 WeakPolarHBondContact CB-OD1 3.47Å; I41-N62 WeakPolarHBondContact CG1-OD1 3.3Å; I41-N62 PolarHBondContact N-OD1 3.46Å; L59-N62 PolarHBondContact O-ND2 2.91Å; S60-N62 PolarHBondContact O-N 3.1Å; S60-N62 VanDerWaalsContact O-N 3.12Å; S60-N62 PolarHBondContact O-ND2 3.38Å; N62-I64 HydrophobicContact CB-CD1 4.12Å; N62-I64 HydrophobicContact CB-CG1 3.92Å; N62-N84 WeakPolarHBondContact CA-OD1 3.44Å; N62-N84 WeakPolarHBondContact CB-OD1 3.49Å; N62-N84 PolarHBondContact O-OD1 3.43Å
63A89.5Confident88.4Confident10 Ų1036.4 Ų36.48%0.08317%0.17CC..  trans-120.434.8178.100000111K40 I41 R42 V65K40-A63 HydrophobicContact CB-CB 4.15Å; I41-A63 CarbonylContact O-C 3.6Å; I41-A63 WeakPolarHBondContact O-CA 3.42Å; I41-A63 PolarHBondContact O-N 3.26Å; R42-A63 WeakPolarHBondContact CA-O 3.25Å; R42-A63 HydrophobicContact CG-CB 4.16Å; A63-V65 WeakPolarHBondContact O-CG2 3.43Å; A63-V65 PolarHBondContact O-N 3.31Å
64I89.2Confident88.5Confident0 Ų034.5 Ų34.50%017%0.165CC..  trans-67.6130.6-169.9-62.4170.9000110.6I41 R42 L44 L59 N62 S66 L67 L81 N84 C85 I86I41-I64 HydrophobicContact CG2-CG1 4.38Å; I41-I64 PolarHBondContact O-N 2.9Å; R42-I64 WeakPolarHBondContact O-CA 3.38Å; L44-I64 HydrophobicContact CD2-CD1 4.11Å; L44-I64 HydrophobicContact CG-CD1 4.49Å; L59-I64 HydrophobicContact CB-CD1 3.76Å; L59-I64 HydrophobicContact CD1-CD1 3.88Å; L59-I64 HydrophobicContact CD2-CD1 4.14Å; L59-I64 HydrophobicContact CG-CD1 4.15Å; N62-I64 HydrophobicContact CB-CD1 4.12Å; N62-I64 HydrophobicContact CB-CG1 3.92Å; I64-S66 WeakPolarHBondContact CG2-O 3.28Å; I64-L67 HydrophobicContact CG2-CD2 4Å; I64-L81 HydrophobicContact CD1-CD2 4.13Å; I64-N84 HydrophobicContact CB-CB 4.49Å; I64-N84 VanDerWaalsContact CB-OD1 3.28Å; I64-N84 WeakPolarHBondContact CB-OD1 3.19Å; I64-N84 VanDerWaalsContact CG1-OD1 3.32Å; I64-N84 WeakPolarHBondContact CG1-OD1 3.34Å; I64-N84 PolarHBondContact N-OD1 2.69Å; I64-C85 CarbonylContact O-C 3.47Å; I64-C85 WeakPolarHBondContact O-CA 3.49Å; I64-C85 PolarHBondContact O-N 3.42Å; I64-C85 VanDerWaalsContact O-N 3.09Å; I64-I86 WeakPolarHBondContact O-CG1 3.16Å; I64-I86 PolarHBondContact O-N 3.06Å
65V87.1Confident88.5Confident42 Ų4240 Ų4026%0.25519%0.19SC..  trans-110.8-29.1-179.5-172.60000112.4R42 A63 C85 P87R42-V65 PolarHBondContact O-N 3.39Å; R42-V65 VanDerWaalsContact O-N 3.15Å; A63-V65 WeakPolarHBondContact O-CG2 3.43Å; A63-V65 PolarHBondContact O-N 3.31Å; V65-C85 HydrophobicContact CG2-CB 4.24Å; V65-P87 HydrophobicContact CG1-CG 4.29Å
66S85Confident88.5Confident8 Ų836 Ų366%0.05617%0.172CC..BIsolated β-bridgetrans-134.4145.9178.1-173.20000112.9I64 E68I64-S66 WeakPolarHBondContact CG2-O 3.28Å; S66-E68 WeakPolarHBondContact OG-CG 3.34Å; S66-E68 PolarHBondContact OG-N 3.42Å; S66-E68 PolarHBondContact OG-OE1 3.48Å
67L86Confident88.6Confident0 Ų037.1 Ų37.10%018%0.175CC..  trans-106.713.1-177.8-60.3178.2000113.3L44 I64 G69 V70 L81 I86 V94 L95L44-L67 HydrophobicContact CD1-CD2 4.46Å; I64-L67 HydrophobicContact CG2-CD2 4Å; L67-G69 PolarHBondContact O-N 2.95Å; L67-G69 VanDerWaalsContact O-N 3.14Å; L67-V70 HydrophobicContact CB-CG2 3.98Å; L67-V70 WeakPolarHBondContact O-CG2 3.43Å; L67-V70 PolarHBondContact O-N 2.95Å; L67-L81 HydrophobicContact CD1-CD1 3.82Å; L67-L81 HydrophobicContact CD2-CD1 3.77Å; L67-L81 HydrophobicContact CD2-CD2 3.92Å; L67-L81 HydrophobicContact CG-CD1 4.48Å; L67-I86 HydrophobicContact CD1-CD1 4.14Å; L67-I86 HydrophobicContact CD2-CD1 4.3Å; L67-I86 HydrophobicContact CG-CD1 4.38Å; L67-V94 WeakPolarHBondContact O-CG1 3.45Å; L67-L95 HydrophobicContact CD1-CD1 3.98Å; L67-L95 HydrophobicContact CD1-CD2 4.05Å; L67-L95 HydrophobicContact CD1-CG 3.96Å
68E83.8Confident88.7Confident120 Ų12041.3 Ų41.356%0.56119%0.191SC*.G310 helixtrans-50.3-40.4178.6-73150.4-131.300112.7S66 V70 K71 K91S66-E68 WeakPolarHBondContact OG-CG 3.34Å; S66-E68 PolarHBondContact OG-N 3.42Å; S66-E68 PolarHBondContact OG-OE1 3.48Å; E68-V70 PolarHBondContact O-N 2.92Å; E68-V70 VanDerWaalsContact O-N 3.12Å; E68-K71 WeakPolarHBondContact O-CB 3.29Å; E68-K71 PolarHBondContact O-N 3.45Å; E68-K91 IonicContact OE1-NZ 2.97Å
69G81.8Confident88.8Confident9 Ų939.9 Ų39.99%0.09318%0.183CC..G310 helixtrans-72.48.6178.800000117G45 L67 H72G45-G69 WeakPolarHBondContact O-CA 3.35Å; L67-G69 PolarHBondContact O-N 2.95Å; L67-G69 VanDerWaalsContact O-N 3.14Å; G69-H72 PolarHBondContact O-CE1 3.12Å
70V86.8Confident88.9Confident1 Ų142 Ų421%0.00619%0.194CC..G310 helixtrans-113.1-4.3168.6-68.30000114.2L44 L48 L57 L67 E68 H72 L73 L95L44-V70 HydrophobicContact CD1-CG1 3.88Å; L48-V70 HydrophobicContact CD1-CG1 3.81Å; L57-V70 HydrophobicContact CD2-CG1 3.76Å; L67-V70 HydrophobicContact CB-CG2 3.98Å; L67-V70 WeakPolarHBondContact O-CG2 3.43Å; L67-V70 PolarHBondContact O-N 2.95Å; E68-V70 PolarHBondContact O-N 2.92Å; E68-V70 VanDerWaalsContact O-N 3.12Å; V70-H72 PolarHBondContact O-N 3.36Å; V70-H72 VanDerWaalsContact O-N 3.1Å; V70-L73 HydrophobicContact CB-CD1 4.06Å; V70-L73 HydrophobicContact CG1-CD1 3.85Å; V70-L73 WeakPolarHBondContact O-CB 3.47Å; V70-L73 PolarHBondContact O-N 3Å; V70-L95 HydrophobicContact CG2-CD2 3.82Å
71K86.4Confident88.9Confident97 Ų9741.3 Ų41.342%0.42219%0.189SC..THydrogen-bonded Turntrans-52.9-34-175.6-179.8164.4159.7136.60114.7E68 K74 V94 E97E68-K71 WeakPolarHBondContact O-CB 3.29Å; E68-K71 PolarHBondContact O-N 3.45Å; K71-K74 WeakPolarHBondContact O-CE 3.47Å; K71-K74 PolarHBondContact O-NZ 3.26Å; K71-V94 HydrophobicContact CB-CG1 3.66Å; K71-V94 HydrophobicContact CD-CG1 4.39Å; K71-V94 HydrophobicContact CG-CG1 4.25Å; K71-E97 WeakPolarHBondContact CE-OE1 3.23Å; K71-E97 WeakPolarHBondContact CE-OE2 3.38Å; K71-E97 WeakPolarHBondContact CG-OE2 3.08Å; K71-E97 VanDerWaalsContact NZ-CD 3.31Å; K71-E97 IonicContact NZ-OE1 3.16Å; K71-E97 PolarHBondContact NZ-OE1 3.35Å; K71-E97 IonicContact NZ-OE2 3.76Å; K71-E97 PolarHBondContact NZ-OE2 3.39Å; K71-E97 VanDerWaalsContact NZ-OE2 3.16Å
72H85.4Confident89.1Confident67 Ų6738 Ų3831%0.3118%0.176SC..THydrogen-bonded Turntrans-82.9-11.4-178.160.8-75.9000114.3L48 N49 G69 V70 K74L48-H72 PolarHBondContact O-NE2 2.9Å; N49-H72 WeakPolarHBondContact CA-NE2 3.34Å; N49-H72 PolarHBondContact OD1-CE1 2.91Å; G69-H72 PolarHBondContact O-CE1 3.12Å; V70-H72 PolarHBondContact O-N 3.36Å; V70-H72 VanDerWaalsContact O-N 3.1Å; H72-K74 PolarHBondContact O-N 2.86Å
73L87.8Confident89.1Confident4 Ų443.4 Ų43.42%0.02120%0.197CC..  trans-79.360-174.2-60.8178.6000112.7L48 F51 L54 L57 V70 K75 L76L48-L73 HydrophobicContact CD1-CD1 4.34Å; F51-L73 HydrophobicContact CB-CD2 4.41Å; F51-L73 WeakPolarHBondContact O-CD2 3.42Å; L54-L73 HydrophobicContact CB-CD2 4.48Å; L54-L73 HydrophobicContact CD2-CD1 4.13Å; L57-L73 HydrophobicContact CD2-CD1 4.19Å; V70-L73 HydrophobicContact CB-CD1 4.06Å; V70-L73 HydrophobicContact CG1-CD1 3.85Å; V70-L73 WeakPolarHBondContact O-CB 3.47Å; V70-L73 PolarHBondContact O-N 3Å; L73-K75 PolarHBondContact O-N 3.37Å; L73-L76 HydrophobicContact CB-CB 4.1Å; L73-L76 HydrophobicContact CD1-CD2 4.44Å; L73-L76 VanDerWaalsContact O-CB 3.27Å; L73-L76 WeakPolarHBondContact O-CB 3.4Å; L73-L76 PolarHBondContact O-N 3.29Å
74K86.7Confident89.2Confident89 Ų8943.2 Ų43.239%0.38720%0.195SC..THydrogen-bonded Turntrans-61-9.4-173.4-55.7-50.1-170.6-167.80115.4K71 H72 E97 L98 A100K71-K74 WeakPolarHBondContact O-CE 3.47Å; K71-K74 PolarHBondContact O-NZ 3.26Å; H72-K74 PolarHBondContact O-N 2.86Å; K74-E97 PolarHBondContact NZ-O 3.25Å; K74-E97 IonicContact NZ-OE2 3.9Å; K74-L98 HydrophobicContact CD-CD2 4.38Å; K74-A100 WeakPolarHBondContact O-CB 3.49Å
75K90Very high89.3Confident118 Ų11846 Ų4651%0.51321%0.213SC..THydrogen-bonded Turntrans-102.31.9176.3-69.4-175.7176.6176.90114.5L54 L73 E77L54-K75 CarbonylContact O-C 3.38Å; L73-K75 PolarHBondContact O-N 3.37Å; K75-E77 PolarHBondContact O-N 2.94Å
76L91.9Very high89.4Confident0 Ų044 Ų440%020%0.201CC..  trans-69.4122.1-178.7-167.569.6000110.8L54 L57 L73 L79 L98 A100 L101L54-L76 HydrophobicContact CD2-CD1 4.22Å; L54-L76 HydrophobicContact CG-CD1 4.2Å; L54-L76 WeakPolarHBondContact O-CA 3.39Å; L54-L76 PolarHBondContact O-N 3.05Å; L57-L76 HydrophobicContact CB-CD1 3.7Å; L57-L76 HydrophobicContact CB-CD2 4.44Å; L73-L76 HydrophobicContact CB-CB 4.1Å; L73-L76 HydrophobicContact CD1-CD2 4.44Å; L73-L76 VanDerWaalsContact O-CB 3.27Å; L73-L76 WeakPolarHBondContact O-CB 3.4Å; L73-L76 PolarHBondContact O-N 3.29Å; L76-L79 HydrophobicContact CD2-CB 4.1Å; L76-L79 HydrophobicContact CD2-CD1 4.37Å; L76-L79 HydrophobicContact CD2-CD2 4.32Å; L76-L98 HydrophobicContact CD2-CD1 4.32Å; L76-A100 CarbonylContact O-C 3.17Å; L76-A100 WeakPolarHBondContact O-CB 3.48Å; L76-L101 HydrophobicContact CD2-CD1 4.48Å; L76-L101 HydrophobicContact CG-CD1 4.45Å; L76-L101 VanDerWaalsContact O-CA 3.29Å; L76-L101 WeakPolarHBondContact O-CA 3.4Å; L76-L101 PolarHBondContact O-N 3.09Å
77E94.3Very high89.5Confident47 Ų4746 Ų4622%0.2221%0.214CC..  trans-104.7-32.3179.8-65-175.9-12600112.5K55 K75 A100 R102 E103K55-E77 IonicContact NZ-OE1 2.65Å; K55-E77 PolarHBondContact NZ-OE1 2.89Å; K55-E77 WeakPolarHBondContact O-CA 3.19Å; K55-E77 PolarHBondContact O-N 3.32Å; K75-E77 PolarHBondContact O-N 2.94Å; E77-A100 WeakPolarHBondContact CA-O 3.16Å; E77-A100 HydrophobicContact CG-CB 4.43Å; E77-R102 WeakPolarHBondContact O-CA 3.46Å; E77-R102 PolarHBondContact O-N 2.87Å; E77-R102 IonicContact OE2-CZ 3.26Å; E77-R102 IonicContact OE2-NE 2.66Å; E77-R102 IonicContact OE2-NH1 3.1Å; E77-R102 PolarHBondContact OE2-NH1 3.35Å; E77-E103 PolarHBondContact O-N 3.09Å
78R94.8Very high89.5Confident87 Ų8747.4 Ų47.433%0.32822%0.224SC..EExtended strand (participates in β ladder)trans-127.7127.9-179.4-179.2-172-52.4-84.3-11.1110.5K55 S56 L57 I80 E103K55-R78 PolarHBondContact O-N 3.2Å; S56-R78 WeakPolarHBondContact CA-O 3.43Å; S56-R78 WeakPolarHBondContact OG-CD 3.42Å; L57-R78 PolarHBondContact N-O 3.02Å; R78-I80 HydrophobicContact CG-CG1 4.17Å; R78-E103 CarbonylContact C-O 3.08Å; R78-E103 WeakPolarHBondContact CA-O 3.45Å; R78-E103 HydrophobicContact CB-CB 4.29Å; R78-E103 HydrophobicContact CG-CB 4.13Å; R78-E103 VanDerWaalsContact CZ-CD 3.47Å; R78-E103 IonicContact CZ-OE1 3.66Å; R78-E103 IonicContact CZ-OE2 3.57Å; R78-E103 IonicContact NH1-OE1 3.89Å; R78-E103 PolarHBondContact NH1-OE1 2.85Å; R78-E103 IonicContact NH1-OE2 2.58Å; R78-E103 PolarHBondContact NH1-OE2 2.86Å; R78-E103 VanDerWaalsContact NH2-CD 3.27Å; R78-E103 IonicContact NH2-OE1 2.7Å; R78-E103 PolarHBondContact NH2-OE1 3.34Å; R78-E103 IonicContact NH2-OE2 3.56Å; R78-E103 PolarHBondContact NH2-OE2 3.4Å
79L94.4Very high89.7Confident0 Ų043.2 Ų43.20%021%0.205CC..EExtended strand (participates in β ladder)trans-129.7118.3173.6-179.755000110.2L57 L59 L76 L81 L95 L101 E103 L104 D105L57-L79 HydrophobicContact CB-CD1 4.02Å; L57-L79 HydrophobicContact CD2-CD1 4.02Å; L57-L79 HydrophobicContact CG-CD1 3.95Å; L57-L79 CarbonylContact O-C 3.53Å; L57-L79 WeakPolarHBondContact O-CA 3.42Å; L59-L79 HydrophobicContact CD1-CD1 4.44Å; L76-L79 HydrophobicContact CD2-CB 4.1Å; L76-L79 HydrophobicContact CD2-CD1 4.37Å; L76-L79 HydrophobicContact CD2-CD2 4.32Å; L79-L81 HydrophobicContact CD1-CD1 4.3Å; L79-L81 HydrophobicContact CD1-CD2 4.42Å; L79-L81 HydrophobicContact CD1-CG 4.07Å; L79-L81 HydrophobicContact CD2-CD1 3.79Å; L79-L81 HydrophobicContact CD2-CG 4.44Å; L79-L81 HydrophobicContact CG-CD1 3.84Å; L79-L81 HydrophobicContact CG-CG 3.98Å; L79-L95 HydrophobicContact CD2-CD1 3.96Å; L79-L95 HydrophobicContact CD2-CD2 3.58Å; L79-L95 HydrophobicContact CD2-CG 4.46Å; L79-L101 HydrophobicContact CB-CD1 3.92Å; L79-E103 PolarHBondContact N-O 3.41Å; L79-L104 HydrophobicContact CB-CD1 4.09Å; L79-L104 HydrophobicContact CD2-CD1 4.12Å; L79-L104 HydrophobicContact CG-CD1 4.09Å; L79-L104 WeakPolarHBondContact O-CA 3.47Å; L79-D105 PolarHBondContact O-N 2.93Å; L79-D105 VanDerWaalsContact O-N 3.13Å
80I94.2Very high89.8Confident43 Ų4349.1 Ų49.122%0.22123%0.23CC..EExtended strand (participates in β ladder)trans-108.9115.6177.5-46.6-178.6000108.3L57 D58 L59 S60 R78 D105L57-I80 PolarHBondContact O-N 2.93Å; D58-I80 HydrophobicContact CB-CB 4.25Å; D58-I80 HydrophobicContact CB-CD1 4.25Å; D58-I80 HydrophobicContact CB-CG1 4.47Å; L59-I80 PolarHBondContact N-O 3.45Å; S60-I80 VanDerWaalsContact OG-CG2 3.27Å; S60-I80 WeakPolarHBondContact OG-CG2 3.3Å; R78-I80 HydrophobicContact CG-CG1 4.17Å; I80-D105 HydrophobicContact CG2-CB 4.08Å
81L92.4Very high89.8Confident0 Ų052.5 Ų52.50%025%0.245CC..  trans-121.527.3179.5-70.3162.8000110.9L59 I64 L67 L79 Y83 N84 I86 L104 D105 L106 N109L59-L81 HydrophobicContact CB-CD2 3.99Å; L59-L81 HydrophobicContact CD1-CD2 4.13Å; I64-L81 HydrophobicContact CD1-CD2 4.13Å; L67-L81 HydrophobicContact CD1-CD1 3.82Å; L67-L81 HydrophobicContact CD2-CD1 3.77Å; L67-L81 HydrophobicContact CD2-CD2 3.92Å; L67-L81 HydrophobicContact CG-CD1 4.48Å; L79-L81 HydrophobicContact CD1-CD1 4.3Å; L79-L81 HydrophobicContact CD1-CD2 4.42Å; L79-L81 HydrophobicContact CD1-CG 4.07Å; L79-L81 HydrophobicContact CD2-CD1 3.79Å; L79-L81 HydrophobicContact CD2-CG 4.44Å; L79-L81 HydrophobicContact CG-CD1 3.84Å; L79-L81 HydrophobicContact CG-CG 3.98Å; L81-Y83 PolarHBondContact O-N 2.86Å; L81-N84 WeakPolarHBondContact O-CB 3.26Å; L81-N84 PolarHBondContact O-ND2 3.15Å; L81-N84 VanDerWaalsContact O-ND2 3.08Å; L81-I86 HydrophobicContact CB-CD1 4.34Å; L81-I86 HydrophobicContact CD1-CD1 3.94Å; L81-I86 HydrophobicContact CD2-CD1 4.5Å; L81-L104 HydrophobicContact CD1-CD1 4.37Å; L81-D105 CarbonylContact C-O 3.6Å; L81-D105 WeakPolarHBondContact CA-O 3.26Å; L81-D105 WeakPolarHBondContact CB-O 3.23Å; L81-D105 PolarHBondContact N-O 3.42Å; L81-L106 HydrophobicContact CB-CD2 4.11Å; L81-L106 HydrophobicContact CD1-CD2 3.87Å; L81-N109 PolarHBondContact O-ND2 2.66Å
82Y93.1Very high89.9Confident52 Ų5247.9 Ų47.920%0.20423%0.225CC..  trans-54.7131.1179.5-179.7-98.1000111.7S60 Y61 N84 R107 L108S60-Y82 CarbonylContact C-O 3.6Å; S60-Y82 WeakPolarHBondContact CA-O 3.34Å; Y61-Y82 HydrophobicContact CE1-CD1 4.3Å; Y61-Y82 AromaticContact CE1-CE1 3.91Å; Y61-Y82 HydrophobicContact CE1-CE1 3.91Å; Y61-Y82 HydrophobicContact CE2-CD1 4.11Å; Y61-Y82 HydrophobicContact CE2-CE1 4.24Å; Y61-Y82 AromaticContact CZ-CD1 3.95Å; Y61-Y82 AromaticContact CZ-CE1 3.63Å; Y61-Y82 PolarHBondContact N-O 2.68Å; Y61-Y82 WeakPolarHBondContact OH-CE1 3.31Å; Y82-N84 PolarHBondContact O-ND2 3.12Å; Y82-R107 HydrophobicContact CD2-CB 3.92Å; Y82-R107 VanDerWaalsContact CD2-NH2 3.26Å; Y82-R107 HydrophobicContact CE2-CB 4.11Å; Y82-L108 HydrophobicContact CE1-CD1 4.3Å; Y82-L108 HydrophobicContact CE2-CD1 3.89Å; Y82-L108 HydrophobicContact CE2-CG 4.23Å; Y82-L108 VanDerWaalsContact OH-CD1 3.31Å; Y82-L108 WeakPolarHBondContact OH-CD1 3.41Å
83Y91.3Very high89.9Confident118 Ų11849.6 Ų49.646%0.46323%0.233SC..SBendtrans55.167.6179.6-158.1-92.8000112.8Y61 L81 R107 L108Y61-Y83 CarbonylContact C-O 3.47Å; Y61-Y83 VanDerWaalsContact CA-O 3.3Å; Y61-Y83 WeakPolarHBondContact CA-O 3.35Å; Y61-Y83 AromaticContact CD1-CD1 3.89Å; Y61-Y83 HydrophobicContact CD1-CD1 3.89Å; Y61-Y83 HydrophobicContact CD1-CG 4.07Å; Y61-Y83 HydrophobicContact CE1-CG 4.45Å; Y61-Y83 PolarHBondContact N-O 3.3Å; L81-Y83 PolarHBondContact O-N 2.86Å; Y83-R107 PolarHBondContact N-O 2.97Å; Y83-L108 HydrophobicContact CD2-CB 3.79Å; Y83-L108 HydrophobicContact CD2-CD1 3.72Å; Y83-L108 HydrophobicContact CD2-CG 4.39Å; Y83-L108 HydrophobicContact CE2-CD1 4.43Å
84N91.7Very high89.9Confident6 Ų650.5 Ų50.53%0.03224%0.239CC..  trans-128.2-175.6175.7-88.4-83.5000111L59 N62 I64 L81 Y82 N109 P110L59-N84 PolarHBondContact O-ND2 2.82Å; N62-N84 WeakPolarHBondContact CA-OD1 3.44Å; N62-N84 WeakPolarHBondContact CB-OD1 3.49Å; N62-N84 PolarHBondContact O-OD1 3.43Å; I64-N84 HydrophobicContact CB-CB 4.49Å; I64-N84 VanDerWaalsContact CB-OD1 3.28Å; I64-N84 WeakPolarHBondContact CB-OD1 3.19Å; I64-N84 VanDerWaalsContact CG1-OD1 3.32Å; I64-N84 WeakPolarHBondContact CG1-OD1 3.34Å; I64-N84 PolarHBondContact N-OD1 2.69Å; L81-N84 WeakPolarHBondContact O-CB 3.26Å; L81-N84 PolarHBondContact O-ND2 3.15Å; L81-N84 VanDerWaalsContact O-ND2 3.08Å; Y82-N84 PolarHBondContact O-ND2 3.12Å; N84-N109 WeakPolarHBondContact CA-OD1 3.41Å; N84-N109 WeakPolarHBondContact CB-OD1 3.45Å; N84-N109 PolarHBondContact O-OD1 3.19Å; N84-P110 WeakPolarHBondContact O-CD 3.48Å
85C90.8Very high89.9Confident57 Ų5746.3 Ų46.339%0.38522%0.221SC..  trans-112.532.6-173.6-62.70000113.6I64 V65 P87 N109I64-C85 CarbonylContact O-C 3.47Å; I64-C85 WeakPolarHBondContact O-CA 3.49Å; I64-C85 PolarHBondContact O-N 3.42Å; I64-C85 VanDerWaalsContact O-N 3.09Å; V65-C85 HydrophobicContact CG2-CB 4.24Å; C85-P87 WeakPolarHBondContact O-CD 3.09Å; C85-N109 PolarHBondContact N-OD1 3.3Å
86I90.2Very high89.8Confident0 Ų044 Ų440%021%0.209CC..  trans-73116.6-178.5-58.4167.7000109.6I64 L67 L81 K91 V92 L106 N109 P110 L111I64-I86 WeakPolarHBondContact O-CG1 3.16Å; I64-I86 PolarHBondContact O-N 3.06Å; L67-I86 HydrophobicContact CD1-CD1 4.14Å; L67-I86 HydrophobicContact CD2-CD1 4.3Å; L67-I86 HydrophobicContact CG-CD1 4.38Å; L81-I86 HydrophobicContact CB-CD1 4.34Å; L81-I86 HydrophobicContact CD1-CD1 3.94Å; L81-I86 HydrophobicContact CD2-CD1 4.5Å; I86-K91 HydrophobicContact CG2-CB 4.14Å; I86-V92 HydrophobicContact CG2-CG2 4.02Å; I86-L106 HydrophobicContact CD1-CD2 4.01Å; I86-N109 HydrophobicContact CB-CB 4.38Å; I86-N109 WeakPolarHBondContact CB-OD1 3.35Å; I86-N109 WeakPolarHBondContact CG1-OD1 3.08Å; I86-N109 PolarHBondContact N-OD1 3.06Å; I86-N109 VanDerWaalsContact N-OD1 3.11Å; I86-P110 VanDerWaalsContact O-CD 3.32Å; I86-P110 WeakPolarHBondContact O-CD 3.49Å; I86-L111 HydrophobicContact CB-CD2 3.82Å; I86-L111 HydrophobicContact CG2-CD2 3.54Å; I86-L111 PolarHBondContact O-N 3Å; I86-L111 VanDerWaalsContact O-N 3.08Å
87P86.3Confident89.4Confident50 Ų5048 Ų4833%0.32523%0.228SC..  trans-86.4-33.5-164.832.3-34.8000114.5V65 C85 K91 N114V65-P87 HydrophobicContact CG1-CG 4.29Å; C85-P87 WeakPolarHBondContact O-CD 3.09Å; P87-K91 HydrophobicContact CG-CG 4.42Å; P87-N114 PolarHBondContact O-ND2 3.37Å
88S86.8Confident89.2Confident30 Ų3046.2 Ų46.221%0.2122%0.22CC..SBendtrans-145.2164.2-169.469.50000112E90 K91S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 PolarHBondContact O-N 2.9Å; S88-K91 PolarHBondContact O-N 3.09Å
89L86Confident88.8Confident32 Ų3245.8 Ų45.817%0.16823%0.228CC..SBendtrans-68.4-28.4-179.7-16556.3000112.9K91 V92 Q93 H121 L122L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 3.49Å; L89-V92 WeakPolarHBondContact O-CA 3.36Å; L89-V92 WeakPolarHBondContact O-CB 3.38Å; L89-V92 PolarHBondContact O-N 2.83Å; L89-Q93 PolarHBondContact O-N 3.48Å; L89-H121 HydrophobicContact CD2-CB 4.11Å; L89-H121 WeakPolarHBondContact CD2-CD2 3.33Å; L89-L122 HydrophobicContact CD1-CD2 3.67Å; L89-L122 HydrophobicContact CD1-CG 4.02Å
90E85.6Confident88.6Confident133 Ų13347 Ų4762%0.62124%0.238SC*.G310 helixtrans-56-42.7174.6-62.316816800112S88 V92 Q93S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 PolarHBondContact O-N 2.9Å; E90-V92 PolarHBondContact O-N 3.36Å; E90-V92 VanDerWaalsContact O-N 3.16Å; E90-Q93 WeakPolarHBondContact O-CB 3.25Å; E90-Q93 PolarHBondContact O-N 3.29Å; E90-Q93 VanDerWaalsContact O-N 3.09Å
91K85.8Confident88.6Confident72 Ų7245.2 Ų45.231%0.31323%0.229SC..G310 helixtrans-68.6-11.4177-64.2-56-172.4-175.80113.5E68 I86 P87 S88 L89E68-K91 IonicContact OE1-NZ 2.97Å; I86-K91 HydrophobicContact CG2-CB 4.14Å; P87-K91 HydrophobicContact CG-CG 4.42Å; S88-K91 PolarHBondContact O-N 3.09Å; L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 3.49Å
92V87.8Confident88.6Confident0 Ų050 Ų500%025%0.247CC..G310 helixtrans-95.2-17.8174.5-166.70000112.1I86 L89 E90 V94 L95 L106 L111 L122I86-V92 HydrophobicContact CG2-CG2 4.02Å; L89-V92 WeakPolarHBondContact O-CA 3.36Å; L89-V92 WeakPolarHBondContact O-CB 3.38Å; L89-V92 PolarHBondContact O-N 2.83Å; E90-V92 PolarHBondContact O-N 3.36Å; E90-V92 VanDerWaalsContact O-N 3.16Å; V92-V94 PolarHBondContact O-N 3.09Å; V92-V94 VanDerWaalsContact O-N 3.09Å; V92-L95 HydrophobicContact CG1-CD1 3.8Å; V92-L95 HydrophobicContact CG1-CG 4.26Å; V92-L95 VanDerWaalsContact O-CB 3.31Å; V92-L95 WeakPolarHBondContact O-CB 3.44Å; V92-L95 PolarHBondContact O-N 2.94Å; V92-L106 HydrophobicContact CG1-CD1 4.2Å; V92-L111 HydrophobicContact CG2-CD2 4Å; V92-L122 HydrophobicContact CB-CD2 4.34Å; V92-L122 HydrophobicContact CG1-CD2 3.64Å
93Q85.9Confident88.7Confident103 Ų10349.9 Ų49.948%0.48125%0.248SC..G310 helixtrans-56.8-29.4179.7-67.1174.6-7.800113.3L89 E90 L95 Y96L89-Q93 PolarHBondContact O-N 3.48Å; E90-Q93 WeakPolarHBondContact O-CB 3.25Å; E90-Q93 PolarHBondContact O-N 3.29Å; E90-Q93 VanDerWaalsContact O-N 3.09Å; Q93-L95 PolarHBondContact O-N 3.41Å; Q93-L95 VanDerWaalsContact O-N 3.14Å; Q93-Y96 HydrophobicContact CB-CD2 4.17Å; Q93-Y96 HydrophobicContact CB-CE2 4.05Å; Q93-Y96 HydrophobicContact CG-CD2 4.33Å; Q93-Y96 HydrophobicContact CG-CE2 3.74Å; Q93-Y96 VanDerWaalsContact O-CB 3.25Å; Q93-Y96 WeakPolarHBondContact O-CB 3.35Å; Q93-Y96 VanDerWaalsContact O-CG 3.28Å; Q93-Y96 PolarHBondContact O-N 3.14Å
94V87.1Confident88.8Confident24 Ų2444.5 Ų44.515%0.14523%0.228CC..G310 helixtrans-56.2-28.9174.3-174.60000112.3L67 K71 V92 Y96L67-V94 WeakPolarHBondContact O-CG1 3.45Å; K71-V94 HydrophobicContact CB-CG1 3.66Å; K71-V94 HydrophobicContact CD-CG1 4.39Å; K71-V94 HydrophobicContact CG-CG1 4.25Å; V92-V94 PolarHBondContact O-N 3.09Å; V92-V94 VanDerWaalsContact O-N 3.09Å; V94-Y96 VanDerWaalsContact C-N 3.29Å; V94-Y96 PolarHBondContact O-N 2.9Å
95L87.6Confident88.9Confident1 Ų144.7 Ų44.71%0.00523%0.229CC..G310 helixtrans-72.9-19177.1-57-172.5000113.3L67 V70 L79 V92 Q93 E97 L98 L101 L104 M126L67-L95 HydrophobicContact CD1-CD1 3.98Å; L67-L95 HydrophobicContact CD1-CD2 4.05Å; L67-L95 HydrophobicContact CD1-CG 3.96Å; V70-L95 HydrophobicContact CG2-CD2 3.82Å; L79-L95 HydrophobicContact CD2-CD1 3.96Å; L79-L95 HydrophobicContact CD2-CD2 3.58Å; L79-L95 HydrophobicContact CD2-CG 4.46Å; V92-L95 HydrophobicContact CG1-CD1 3.8Å; V92-L95 HydrophobicContact CG1-CG 4.26Å; V92-L95 VanDerWaalsContact O-CB 3.31Å; V92-L95 WeakPolarHBondContact O-CB 3.44Å; V92-L95 PolarHBondContact O-N 2.94Å; Q93-L95 PolarHBondContact O-N 3.41Å; Q93-L95 VanDerWaalsContact O-N 3.14Å; L95-E97 PolarHBondContact O-N 3.17Å; L95-L98 HydrophobicContact CD2-CD1 3.75Å; L95-L98 WeakPolarHBondContact O-CB 3.39Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-L98 VanDerWaalsContact O-N 3.09Å; L95-L101 HydrophobicContact CB-CD2 4.21Å; L95-L101 HydrophobicContact CD1-CD2 4.35Å; L95-L104 HydrophobicContact CD1-CD1 3.79Å; L95-L104 HydrophobicContact CD1-CD2 3.85Å; L95-M126 HydrophobicContact CB-SD 4.03Å
96Y86.9Confident89Confident69 Ų6942 Ų4227%0.27121%0.211SC..G310 helixtrans-66.7-25180-54.8-9.5000111.1Q93 V94 L98 H121 L122 A125 M126Q93-Y96 HydrophobicContact CB-CD2 4.17Å; Q93-Y96 HydrophobicContact CB-CE2 4.05Å; Q93-Y96 HydrophobicContact CG-CD2 4.33Å; Q93-Y96 HydrophobicContact CG-CE2 3.74Å; Q93-Y96 VanDerWaalsContact O-CB 3.25Å; Q93-Y96 WeakPolarHBondContact O-CB 3.35Å; Q93-Y96 VanDerWaalsContact O-CG 3.28Å; Q93-Y96 PolarHBondContact O-N 3.14Å; V94-Y96 VanDerWaalsContact C-N 3.29Å; V94-Y96 PolarHBondContact O-N 2.9Å; Y96-L98 PolarHBondContact O-N 2.91Å; Y96-H121 PolarHBondContact OH-CD2 3.26Å; Y96-H121 VanDerWaalsContact OH-CD2 3.22Å; Y96-H121 PolarHBondContact OH-NE2 2.67Å; Y96-L122 HydrophobicContact CE1-CD2 3.86Å; Y96-A125 HydrophobicContact CD1-CB 4.06Å; Y96-A125 HydrophobicContact CD2-CB 4.02Å; Y96-A125 HydrophobicContact CE1-CB 3.7Å; Y96-A125 HydrophobicContact CE2-CB 3.62Å; Y96-A125 HydrophobicContact CG-CB 4.23Å; Y96-A125 VanDerWaalsContact CZ-CB 3.45Å; Y96-M126 HydrophobicContact CD1-CE 4.34Å; Y96-M126 HydrophobicContact CD1-CG 3.63Å; Y96-M126 HydrophobicContact CD1-SD 3.92Å; Y96-M126 HydrophobicContact CE1-CE 4.17Å; Y96-M126 HydrophobicContact CE1-CG 4.2Å; Y96-M126 HydrophobicContact CE1-SD 4.35Å; Y96-M126 HydrophobicContact CG-CG 4.49Å
97E85.1Confident89Confident84 Ų8446.2 Ų46.239%0.39323%0.226SC..G310 helixtrans-79.55.7174.7-59.1-175.8-151.200114.5K71 K74 L95 P99K71-E97 WeakPolarHBondContact CE-OE1 3.23Å; K71-E97 WeakPolarHBondContact CE-OE2 3.38Å; K71-E97 WeakPolarHBondContact CG-OE2 3.08Å; K71-E97 VanDerWaalsContact NZ-CD 3.31Å; K71-E97 IonicContact NZ-OE1 3.16Å; K71-E97 PolarHBondContact NZ-OE1 3.35Å; K71-E97 IonicContact NZ-OE2 3.76Å; K71-E97 PolarHBondContact NZ-OE2 3.39Å; K71-E97 VanDerWaalsContact NZ-OE2 3.16Å; K74-E97 PolarHBondContact NZ-O 3.25Å; K74-E97 IonicContact NZ-OE2 3.9Å; L95-E97 PolarHBondContact O-N 3.17Å; E97-P99 WeakPolarHBondContact O-CD 3.45Å
98L88.8Confident89.2Confident9 Ų948.2 Ų48.25%0.04723%0.234CC..  trans-101.792.3-178.6-59.1-177.2000110.9K74 L76 L95 Y96 A100 L101K74-L98 HydrophobicContact CD-CD2 4.38Å; L76-L98 HydrophobicContact CD2-CD1 4.32Å; L95-L98 HydrophobicContact CD2-CD1 3.75Å; L95-L98 WeakPolarHBondContact O-CB 3.39Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-L98 VanDerWaalsContact O-N 3.09Å; Y96-L98 PolarHBondContact O-N 2.91Å; L98-A100 PolarHBondContact O-N 3.43Å; L98-A100 VanDerWaalsContact O-N 3.16Å; L98-L101 HydrophobicContact CB-CB 4.07Å; L98-L101 PolarHBondContact O-N 3.35Å
99P87.1Confident89.4Confident78 Ų7846.9 Ų46.951%0.50622%0.224SC..THydrogen-bonded Turntrans-66.2-24.9-170.627.7-36.7000113.5E97 N128E97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-N128 PolarHBondContact O-ND2 2.83Å
100A90.9Very high89.5Confident26 Ų2647.7 Ų47.722%0.21523%0.232CC..THydrogen-bonded Turntrans-87.6-7.9-177.800000114.4K74 L76 E77 L98 R102K74-A100 WeakPolarHBondContact O-CB 3.49Å; L76-A100 CarbonylContact O-C 3.17Å; L76-A100 WeakPolarHBondContact O-CB 3.48Å; E77-A100 WeakPolarHBondContact CA-O 3.16Å; E77-A100 HydrophobicContact CG-CB 4.43Å; L98-A100 PolarHBondContact O-N 3.43Å; L98-A100 VanDerWaalsContact O-N 3.16Å; A100-R102 WeakPolarHBondContact O-CG 3.39Å; A100-R102 PolarHBondContact O-N 3.32Å
101L92.6Very high89.5Confident5 Ų541.4 Ų41.43%0.02620%0.202CC..  trans-69.1123.7-170.3-16967.7000111.5L76 L79 L95 L98 M126 N128L76-L101 HydrophobicContact CD2-CD1 4.48Å; L76-L101 HydrophobicContact CG-CD1 4.45Å; L76-L101 VanDerWaalsContact O-CA 3.29Å; L76-L101 WeakPolarHBondContact O-CA 3.4Å; L76-L101 PolarHBondContact O-N 3.09Å; L79-L101 HydrophobicContact CB-CD1 3.92Å; L95-L101 HydrophobicContact CB-CD2 4.21Å; L95-L101 HydrophobicContact CD1-CD2 4.35Å; L98-L101 HydrophobicContact CB-CB 4.07Å; L98-L101 PolarHBondContact O-N 3.35Å; L101-M126 HydrophobicContact CD2-SD 4.15Å; L101-N128 CarbonylContact O-C 3.59Å
102R93.1Very high89.5Confident100 Ų10039.9 Ų39.938%0.37720%0.199SC..  trans-123.7-30.8-173.9-72.9162.5176.3-175.6-5.2113.1E77 A100 R130 K131E77-R102 WeakPolarHBondContact O-CA 3.46Å; E77-R102 PolarHBondContact O-N 2.87Å; E77-R102 IonicContact OE2-CZ 3.26Å; E77-R102 IonicContact OE2-NE 2.66Å; E77-R102 IonicContact OE2-NH1 3.1Å; E77-R102 PolarHBondContact OE2-NH1 3.35Å; A100-R102 WeakPolarHBondContact O-CG 3.39Å; A100-R102 PolarHBondContact O-N 3.32Å; R102-R130 HydrophobicContact CB-CG 4.39Å; R102-R130 HydrophobicContact CG-CG 4.41Å; R102-R130 WeakPolarHBondContact O-CA 3.4Å; R102-R130 PolarHBondContact O-N 2.93Å; R102-K131 PolarHBondContact O-N 3.16Å
103E94.9Very high89.4Confident50 Ų5048.2 Ų48.223%0.23424%0.235CC..EExtended strand (participates in β ladder)trans-129.9125.7-179.3-56.9-164.3-136.600110.4E77 R78 L79 K131E77-E103 PolarHBondContact O-N 3.09Å; R78-E103 CarbonylContact C-O 3.08Å; R78-E103 WeakPolarHBondContact CA-O 3.45Å; R78-E103 HydrophobicContact CB-CB 4.29Å; R78-E103 HydrophobicContact CG-CB 4.13Å; R78-E103 VanDerWaalsContact CZ-CD 3.47Å; R78-E103 IonicContact CZ-OE1 3.66Å; R78-E103 IonicContact CZ-OE2 3.57Å; R78-E103 IonicContact NH1-OE1 3.89Å; R78-E103 PolarHBondContact NH1-OE1 2.85Å; R78-E103 IonicContact NH1-OE2 2.58Å; R78-E103 PolarHBondContact NH1-OE2 2.86Å; R78-E103 VanDerWaalsContact NH2-CD 3.27Å; R78-E103 IonicContact NH2-OE1 2.7Å; R78-E103 PolarHBondContact NH2-OE1 3.34Å; R78-E103 IonicContact NH2-OE2 3.56Å; R78-E103 PolarHBondContact NH2-OE2 3.4Å; L79-E103 PolarHBondContact N-O 3.41Å; E103-K131 WeakPolarHBondContact CA-O 3.49Å; E103-K131 HydrophobicContact CB-CB 4.4Å; E103-K131 HydrophobicContact CG-CB 3.99Å; E103-K131 WeakPolarHBondContact OE2-CD 3.09Å; E103-K131 IonicContact OE2-NZ 3.35Å
104L94.2Very high89.4Confident5 Ų548.4 Ų48.43%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-132.7135.2179.7-177.459.2000109.9L79 L81 L95 L106 M126 L129 K131 L132 D133L79-L104 HydrophobicContact CB-CD1 4.09Å; L79-L104 HydrophobicContact CD2-CD1 4.12Å; L79-L104 HydrophobicContact CG-CD1 4.09Å; L79-L104 WeakPolarHBondContact O-CA 3.47Å; L81-L104 HydrophobicContact CD1-CD1 4.37Å; L95-L104 HydrophobicContact CD1-CD1 3.79Å; L95-L104 HydrophobicContact CD1-CD2 3.85Å; L104-L106 HydrophobicContact CD1-CD2 4.28Å; L104-L106 HydrophobicContact CD1-CG 4.19Å; L104-L106 HydrophobicContact CD2-CD1 3.89Å; L104-L106 HydrophobicContact CD2-CG 4.2Å; L104-L106 HydrophobicContact CG-CD1 4.24Å; L104-L106 HydrophobicContact CG-CG 3.99Å; L104-M126 HydrophobicContact CD2-CE 3.89Å; L104-L129 HydrophobicContact CB-CD1 3.69Å; L104-K131 PolarHBondContact N-O 3.07Å; L104-L132 HydrophobicContact CB-CD1 4.21Å; L104-L132 HydrophobicContact CD2-CD1 4.26Å; L104-L132 HydrophobicContact CG-CD1 4.22Å; L104-L132 CarbonylContact O-C 3.17Å; L104-L132 VanDerWaalsContact O-CA 3.29Å; L104-L132 WeakPolarHBondContact O-CA 3.44Å; L104-D133 PolarHBondContact O-N 2.92Å
105D94Very high89.2Confident11 Ų1149.2 Ų49.26%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-127112.9172.5-168.4-11.2000109.1L79 I80 L81 R107 N134L79-D105 PolarHBondContact O-N 2.93Å; L79-D105 VanDerWaalsContact O-N 3.13Å; I80-D105 HydrophobicContact CG2-CB 4.08Å; L81-D105 CarbonylContact C-O 3.6Å; L81-D105 WeakPolarHBondContact CA-O 3.26Å; L81-D105 WeakPolarHBondContact CB-O 3.23Å; L81-D105 PolarHBondContact N-O 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 2.99Å; D105-R107 VanDerWaalsContact OD1-CG 3.28Å; D105-R107 WeakPolarHBondContact OD1-CG 3.41Å; D105-R107 IonicContact OD1-CZ 3.22Å; D105-R107 PolarHBondContact OD1-N 3.29Å; D105-R107 IonicContact OD1-NE 3.18Å; D105-R107 PolarHBondContact OD1-NE 3.11Å; D105-R107 IonicContact OD1-NH2 2.65Å; D105-R107 IonicContact OD2-CZ 2.7Å; D105-R107 IonicContact OD2-NE 3.02Å; D105-R107 PolarHBondContact OD2-NE 3.26Å; D105-R107 IonicContact OD2-NH2 3.34Å; D105-R107 PolarHBondContact OD2-NH2 3.42Å; D105-N134 PolarHBondContact OD2-ND2 3.37Å
106L91.8Very high88.8Confident0 Ų054.8 Ų54.80%028%0.282CS..  trans-113.87.4179.9-69.1171.9000111.9L81 I86 V92 L104 N109 L111 T112 L122 D133L81-L106 HydrophobicContact CB-CD2 4.11Å; L81-L106 HydrophobicContact CD1-CD2 3.87Å; I86-L106 HydrophobicContact CD1-CD2 4.01Å; V92-L106 HydrophobicContact CG1-CD1 4.2Å; L104-L106 HydrophobicContact CD1-CD2 4.28Å; L104-L106 HydrophobicContact CD1-CG 4.19Å; L104-L106 HydrophobicContact CD2-CD1 3.89Å; L104-L106 HydrophobicContact CD2-CG 4.2Å; L104-L106 HydrophobicContact CG-CD1 4.24Å; L104-L106 HydrophobicContact CG-CG 3.99Å; L106-N109 WeakPolarHBondContact O-CB 3.49Å; L106-N109 PolarHBondContact O-N 2.91Å; L106-N109 PolarHBondContact O-ND2 3Å; L106-L111 HydrophobicContact CD1-CD1 4.29Å; L106-L111 HydrophobicContact CD1-CD2 4.3Å; L106-L111 HydrophobicContact CD2-CD2 4.27Å; L106-T112 PolarHBondContact O-OG1 3.35Å; L106-L122 HydrophobicContact CD1-CD1 3.54Å; L106-D133 WeakPolarHBondContact CA-OD1 3.38Å; L106-D133 PolarHBondContact N-OD1 2.91Å
107R91.8Very high88.7Confident88 Ų8853.6 Ų53.633%0.33229%0.291SS..THydrogen-bonded Turntrans-56.9146.7-177.2-62174-62.8143.210.6111.8Y82 Y83 D105 N109 D133 N134Y82-R107 HydrophobicContact CD2-CB 3.92Å; Y82-R107 VanDerWaalsContact CD2-NH2 3.26Å; Y82-R107 HydrophobicContact CE2-CB 4.11Å; Y83-R107 PolarHBondContact N-O 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 2.99Å; D105-R107 VanDerWaalsContact OD1-CG 3.28Å; D105-R107 WeakPolarHBondContact OD1-CG 3.41Å; D105-R107 IonicContact OD1-CZ 3.22Å; D105-R107 PolarHBondContact OD1-N 3.29Å; D105-R107 IonicContact OD1-NE 3.18Å; D105-R107 PolarHBondContact OD1-NE 3.11Å; D105-R107 IonicContact OD1-NH2 2.65Å; D105-R107 IonicContact OD2-CZ 2.7Å; D105-R107 IonicContact OD2-NE 3.02Å; D105-R107 PolarHBondContact OD2-NE 3.26Å; D105-R107 IonicContact OD2-NH2 3.34Å; D105-R107 PolarHBondContact OD2-NH2 3.42Å; R107-N109 PolarHBondContact O-N 2.94Å; R107-D133 HydrophobicContact CG-CB 3.6Å; R107-D133 PolarHBondContact N-OD1 3.35Å; R107-N134 PolarHBondContact NE-ND2 3.27Å; R107-N134 PolarHBondContact NH2-ND2 3Å
108L89.9Confident89Confident92 Ų9250.9 Ų50.948%0.48228%0.277SS..THydrogen-bonded Turntrans59.829.6-177.4-52.7179.2000114Y82 Y83Y82-L108 HydrophobicContact CE1-CD1 4.3Å; Y82-L108 HydrophobicContact CE2-CD1 3.89Å; Y82-L108 HydrophobicContact CE2-CG 4.23Å; Y82-L108 VanDerWaalsContact OH-CD1 3.31Å; Y82-L108 WeakPolarHBondContact OH-CD1 3.41Å; Y83-L108 HydrophobicContact CD2-CB 3.79Å; Y83-L108 HydrophobicContact CD2-CD1 3.72Å; Y83-L108 HydrophobicContact CD2-CG 4.39Å; Y83-L108 HydrophobicContact CE2-CD1 4.43Å
109N90.7Very high89.2Confident2 Ų252.6 Ų52.61%0.01128%0.283CS..SBendtrans-95.9154.2161.9-76.6-95.7000110.6L81 N84 C85 I86 L106 R107 L111 T112L81-N109 PolarHBondContact O-ND2 2.66Å; N84-N109 WeakPolarHBondContact CA-OD1 3.41Å; N84-N109 WeakPolarHBondContact CB-OD1 3.45Å; N84-N109 PolarHBondContact O-OD1 3.19Å; C85-N109 PolarHBondContact N-OD1 3.3Å; I86-N109 HydrophobicContact CB-CB 4.38Å; I86-N109 WeakPolarHBondContact CB-OD1 3.35Å; I86-N109 WeakPolarHBondContact CG1-OD1 3.08Å; I86-N109 PolarHBondContact N-OD1 3.06Å; I86-N109 VanDerWaalsContact N-OD1 3.11Å; L106-N109 WeakPolarHBondContact O-CB 3.49Å; L106-N109 PolarHBondContact O-N 2.91Å; L106-N109 PolarHBondContact O-ND2 3Å; R107-N109 PolarHBondContact O-N 2.94Å; N109-L111 VanDerWaalsContact C-N 3.26Å; N109-L111 HydrophobicContact CB-CD2 3.89Å; N109-L111 HydrophobicContact CB-CG 4.04Å; N109-L111 PolarHBondContact O-N 3Å; N109-T112 WeakPolarHBondContact O-CB 3.38Å; N109-T112 PolarHBondContact O-N 3.23Å; N109-T112 VanDerWaalsContact O-N 3.15Å; N109-T112 PolarHBondContact O-OG1 3.3Å
110P88Confident89.3Confident49 Ų4950.5 Ų50.532%0.31827%0.269SS..THydrogen-bonded Turntrans-54.6-37.4173.6-25.732.2000113.9N84 I86 T112 K113 N114N84-P110 WeakPolarHBondContact O-CD 3.48Å; I86-P110 VanDerWaalsContact O-CD 3.32Å; I86-P110 WeakPolarHBondContact O-CD 3.49Å; P110-T112 PolarHBondContact O-N 3.42Å; P110-T112 VanDerWaalsContact O-N 3.12Å; P110-K113 PolarHBondContact O-N 3.28Å; P110-N114 VanDerWaalsContact O-CG 3.29Å; P110-N114 PolarHBondContact O-N 2.99Å; P110-N114 PolarHBondContact O-OD1 3.31Å
111L86.8Confident89.2Confident1 Ų151.9 Ų51.91%0.00527%0.271CS..Hα-helixtrans-52.9-35.2177.177.895.4000113.4I86 V92 L106 N109 K113 N114 C115 Y118I86-L111 HydrophobicContact CB-CD2 3.82Å; I86-L111 HydrophobicContact CG2-CD2 3.54Å; I86-L111 PolarHBondContact O-N 3Å; I86-L111 VanDerWaalsContact O-N 3.08Å; V92-L111 HydrophobicContact CG2-CD2 4Å; L106-L111 HydrophobicContact CD1-CD1 4.29Å; L106-L111 HydrophobicContact CD1-CD2 4.3Å; L106-L111 HydrophobicContact CD2-CD2 4.27Å; N109-L111 VanDerWaalsContact C-N 3.26Å; N109-L111 HydrophobicContact CB-CD2 3.89Å; N109-L111 HydrophobicContact CB-CG 4.04Å; N109-L111 PolarHBondContact O-N 3Å; L111-K113 PolarHBondContact O-N 3.48Å; L111-N114 PolarHBondContact O-N 2.86Å; L111-C115 PolarHBondContact O-N 3.46Å; L111-Y118 HydrophobicContact CD1-CD2 3.62Å; L111-Y118 HydrophobicContact CD1-CE2 4.28Å; L111-Y118 HydrophobicContact CD1-CG 3.96Å
112T85.7Confident89.1Confident40 Ų4051.7 Ų51.725%0.24527%0.27CS..Hα-helixtrans-67.4-23.7-178.5-39.80000111.9L106 N109 P110 Y118L106-T112 PolarHBondContact O-OG1 3.35Å; N109-T112 WeakPolarHBondContact O-CB 3.38Å; N109-T112 PolarHBondContact O-N 3.23Å; N109-T112 VanDerWaalsContact O-N 3.15Å; N109-T112 PolarHBondContact O-OG1 3.3Å; P110-T112 PolarHBondContact O-N 3.42Å; P110-T112 VanDerWaalsContact O-N 3.12Å; T112-Y118 HydrophobicContact CG2-CE1 3.86Å
113K84.8Confident89.1Confident175 Ų17547.1 Ų47.176%0.76125%0.253SS*.Hα-helixtrans-95.5-40.8176.5-61.1-175.9177.9-174.80111.8P110 L111P110-K113 PolarHBondContact O-N 3.28Å; L111-K113 PolarHBondContact O-N 3.48Å
114N85.1Confident88.9Confident108 Ų10848.7 Ų48.758%0.57826%0.261SS*.Hα-helixtrans-75.6-26.5-173.1-64.1-5.7000113.1P87 P110 L111P87-N114 PolarHBondContact O-ND2 3.37Å; P110-N114 VanDerWaalsContact O-CG 3.29Å; P110-N114 PolarHBondContact O-N 2.99Å; P110-N114 PolarHBondContact O-OD1 3.31Å; L111-N114 PolarHBondContact O-N 2.86Å
115C83.5Confident88.6Confident40 Ų4049.9 Ų49.927%0.2727%0.271SS..  trans-128.586.3-174.1-59.60000110.5L111 G117 Y118L111-C115 PolarHBondContact O-N 3.46Å; C115-G117 PolarHBondContact O-N 3.02Å; C115-G117 VanDerWaalsContact O-N 3.14Å; C115-Y118 WeakPolarHBondContact O-CB 3.46Å; C115-Y118 VanDerWaalsContact O-CD1 3.25Å; C115-Y118 WeakPolarHBondContact O-CD1 3.4Å; C115-Y118 PolarHBondContact O-N 3.42Å
116P80.1Confident88.4Confident119 Ų11950 Ų5077%0.77327%0.272SS*.THydrogen-bonded Turntrans-57.9-31.3-177.320.9-32.2000113.5Y118P116-Y118 VanDerWaalsContact C-N 3.31Å; P116-Y118 PolarHBondContact O-N 3.09Å
117G85.1Confident88.1Confident43 Ų4354.3 Ų54.344%0.44330%0.299SS..THydrogen-bonded Turntrans-80.37.8174.600000116.3C115 R119 P120 H121C115-G117 PolarHBondContact O-N 3.02Å; C115-G117 VanDerWaalsContact O-N 3.14Å; G117-R119 VanDerWaalsContact C-N 3.26Å; G117-R119 PolarHBondContact O-N 3.09Å; G117-P120 WeakPolarHBondContact O-CD 3.44Å; G117-H121 WeakPolarHBondContact O-CB 3.27Å; G117-H121 PolarHBondContact O-N 3.26Å
118Y90.8Very high88Confident28 Ų2854.5 Ų54.511%0.1131%0.307CS..Hα-helixtrans-57.7-38.6-176.381.4-74.4000112.5L111 T112 C115 P116 H121 L122 D133L111-Y118 HydrophobicContact CD1-CD2 3.62Å; L111-Y118 HydrophobicContact CD1-CE2 4.28Å; L111-Y118 HydrophobicContact CD1-CG 3.96Å; T112-Y118 HydrophobicContact CG2-CE1 3.86Å; C115-Y118 WeakPolarHBondContact O-CB 3.46Å; C115-Y118 VanDerWaalsContact O-CD1 3.25Å; C115-Y118 WeakPolarHBondContact O-CD1 3.4Å; C115-Y118 PolarHBondContact O-N 3.42Å; P116-Y118 VanDerWaalsContact C-N 3.31Å; P116-Y118 PolarHBondContact O-N 3.09Å; Y118-H121 PolarHBondContact O-N 3.27Å; Y118-L122 HydrophobicContact CD2-CD1 3.85Å; Y118-L122 HydrophobicContact CE2-CD1 4.48Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 VanDerWaalsContact O-CG 3.27Å; Y118-L122 WeakPolarHBondContact O-CG 3.19Å; Y118-L122 PolarHBondContact O-N 3.42Å; Y118-D133 WeakPolarHBondContact CE2-OD2 3.49Å; Y118-D133 PolarHBondContact OH-OD2 3.01Å; Y118-D133 VanDerWaalsContact OH-OD2 3.06Å
119R91.7Very high88.1Confident45 Ų4550.1 Ų50.117%0.1728%0.284CS..Hα-helixtrans-68-54.2-173.9170.6165.1-175.4104.415.2112.5G117 H121 L122 V123 L132 E141G117-R119 VanDerWaalsContact C-N 3.26Å; G117-R119 PolarHBondContact O-N 3.09Å; R119-H121 VanDerWaalsContact C-N 3.27Å; R119-H121 PolarHBondContact O-N 2.94Å; R119-L122 PolarHBondContact O-N 3.1Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.11Å; R119-L132 HydrophobicContact CB-CD2 4.43Å; R119-L132 HydrophobicContact CG-CD2 3.96Å; R119-L132 PolarHBondContact NH1-O 2.66Å; R119-E141 WeakPolarHBondContact CD-OE1 3.32Å; R119-E141 VanDerWaalsContact CG-OE1 3.3Å; R119-E141 WeakPolarHBondContact CG-OE1 3.31Å; R119-E141 IonicContact CZ-OE1 2.65Å; R119-E141 VanDerWaalsContact CZ-OE1 3.26Å; R119-E141 IonicContact CZ-OE2 3.33Å; R119-E141 IonicContact NE-OE1 2.97Å; R119-E141 PolarHBondContact NE-OE1 3.19Å; R119-E141 IonicContact NE-OE2 3.54Å; R119-E141 IonicContact NH2-OE1 3.34Å; R119-E141 PolarHBondContact NH2-OE1 2.9Å; R119-E141 VanDerWaalsContact NH2-OE1 3.1Å; R119-E141 IonicContact NH2-OE2 3.78Å; R119-E141 PolarHBondContact NH2-OE2 3.18Å
120P89.9Confident88.1Confident34 Ų3457.7 Ų57.722%0.22131%0.312CS..Hα-helixtrans-52.4-43.9169.5-28.334.9000112.8G117 L122 V123 H124 A145 F149G117-P120 WeakPolarHBondContact O-CD 3.44Å; P120-L122 PolarHBondContact O-N 3.42Å; P120-V123 PolarHBondContact O-N 3.14Å; P120-H124 WeakPolarHBondContact O-CB 3.25Å; P120-H124 PolarHBondContact O-N 2.98Å; P120-A145 HydrophobicContact CB-CB 4.13Å; P120-A145 WeakPolarHBondContact O-CB 3.49Å; P120-F149 HydrophobicContact CB-CE2 4.07Å; P120-F149 HydrophobicContact CB-CZ 4.41Å
121H89.9Confident88.4Confident55 Ų5558.3 Ų58.326%0.25531%0.31SS..Hα-helixtrans-62.7-45.5-179.2-173.298.3000112.8L89 Y96 G117 Y118 R119 V123 H124 A125 F149L89-H121 HydrophobicContact CD2-CB 4.11Å; L89-H121 WeakPolarHBondContact CD2-CD2 3.33Å; Y96-H121 PolarHBondContact OH-CD2 3.26Å; Y96-H121 VanDerWaalsContact OH-CD2 3.22Å; Y96-H121 PolarHBondContact OH-NE2 2.67Å; G117-H121 WeakPolarHBondContact O-CB 3.27Å; G117-H121 PolarHBondContact O-N 3.26Å; Y118-H121 PolarHBondContact O-N 3.27Å; R119-H121 VanDerWaalsContact C-N 3.27Å; R119-H121 PolarHBondContact O-N 2.94Å; H121-V123 VanDerWaalsContact C-N 3.32Å; H121-V123 PolarHBondContact O-N 3.4Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-A125 WeakPolarHBondContact O-CB 3.37Å; H121-A125 PolarHBondContact O-N 3.3Å; H121-F149 HydrophobicContact CB-CE2 4.23Å; H121-F149 HydrophobicContact CB-CZ 3.77Å; H121-F149 AromaticContact ND1-CE1 3.99Å
122L90.3Very high88.7Confident0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-66.4-34.4176.6-68.1177.2000112.2L89 V92 Y96 L106 Y118 R119 P120 M126 L132L89-L122 HydrophobicContact CD1-CD2 3.67Å; L89-L122 HydrophobicContact CD1-CG 4.02Å; V92-L122 HydrophobicContact CB-CD2 4.34Å; V92-L122 HydrophobicContact CG1-CD2 3.64Å; Y96-L122 HydrophobicContact CE1-CD2 3.86Å; L106-L122 HydrophobicContact CD1-CD1 3.54Å; Y118-L122 HydrophobicContact CD2-CD1 3.85Å; Y118-L122 HydrophobicContact CE2-CD1 4.48Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 VanDerWaalsContact O-CG 3.27Å; Y118-L122 WeakPolarHBondContact O-CG 3.19Å; Y118-L122 PolarHBondContact O-N 3.42Å; R119-L122 PolarHBondContact O-N 3.1Å; P120-L122 PolarHBondContact O-N 3.42Å; L122-M126 HydrophobicContact CB-CE 3.84Å; L122-M126 HydrophobicContact CD2-CE 3.65Å; L122-M126 HydrophobicContact CG-CE 4.22Å; L122-M126 WeakPolarHBondContact O-CB 3.47Å; L122-M126 PolarHBondContact O-N 3.4Å; L122-L132 HydrophobicContact CB-CD2 4.19Å; L122-L132 HydrophobicContact CD1-CD1 4.38Å; L122-L132 HydrophobicContact CD1-CD2 4.45Å
123V91.4Very high89Confident4 Ų456.6 Ų56.62%0.02430%0.299CS..Hα-helixtrans-68.7-34.2175.7168.30000112R119 P120 H121 L132 V137 E141 R142 A145R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.11Å; P120-V123 PolarHBondContact O-N 3.14Å; H121-V123 VanDerWaalsContact C-N 3.32Å; H121-V123 PolarHBondContact O-N 3.4Å; V123-L132 HydrophobicContact CG2-CD2 4.12Å; V123-V137 HydrophobicContact CB-CG1 4.34Å; V123-V137 HydrophobicContact CG1-CG1 3.64Å; V123-V137 HydrophobicContact CG2-CG1 3.76Å; V123-V137 HydrophobicContact CG2-CG2 4.04Å; V123-E141 HydrophobicContact CG1-CG 4.35Å; V123-E141 HydrophobicContact CG2-CG 4.48Å; V123-R142 HydrophobicContact CG1-CB 4.42Å; V123-R142 HydrophobicContact CG1-CG 3.82Å; V123-A145 HydrophobicContact CG1-CB 4.48Å
124H90.6Very high89.1Confident84 Ų8451.7 Ų51.739%0.38928%0.282SS..Hα-helixtrans-71.3-49.4172.4-17982.5000111.8P120 H121 M126 A145 F149P120-H124 WeakPolarHBondContact O-CB 3.25Å; P120-H124 PolarHBondContact O-N 2.98Å; H121-H124 PolarHBondContact O-N 3.43Å; H124-M126 PolarHBondContact O-N 3.35Å; H124-A145 HydrophobicContact CB-CB 4.18Å; H124-F149 HydrophobicContact CB-CD2 3.58Å; H124-F149 HydrophobicContact CB-CE2 3.98Å; H124-F149 AromaticContact CG-CD2 3.58Å; H124-F149 AromaticContact ND1-CD2 3.95Å
125A88.3Confident89.4Confident30 Ų3053.2 Ų53.225%0.24828%0.283CS..Hα-helixtrans-70.9-27.3-176.700000114.3Y96 H121 P127Y96-A125 HydrophobicContact CD1-CB 4.06Å; Y96-A125 HydrophobicContact CD2-CB 4.02Å; Y96-A125 HydrophobicContact CE1-CB 3.7Å; Y96-A125 HydrophobicContact CE2-CB 3.62Å; Y96-A125 HydrophobicContact CG-CB 4.23Å; Y96-A125 VanDerWaalsContact CZ-CB 3.45Å; H121-A125 WeakPolarHBondContact O-CB 3.37Å; H121-A125 PolarHBondContact O-N 3.3Å; A125-P127 WeakPolarHBondContact O-CD 3.37Å
126M89.5Confident89.9Confident14 Ų1455.5 Ų55.57%0.06930%0.298CS..  trans-120.482.3-179.8-66.5-179.9-72.500111.8L95 Y96 L101 L104 L122 H124 N128 L129L95-M126 HydrophobicContact CB-SD 4.03Å; Y96-M126 HydrophobicContact CD1-CE 4.34Å; Y96-M126 HydrophobicContact CD1-CG 3.63Å; Y96-M126 HydrophobicContact CD1-SD 3.92Å; Y96-M126 HydrophobicContact CE1-CE 4.17Å; Y96-M126 HydrophobicContact CE1-CG 4.2Å; Y96-M126 HydrophobicContact CE1-SD 4.35Å; Y96-M126 HydrophobicContact CG-CG 4.49Å; L101-M126 HydrophobicContact CD2-SD 4.15Å; L104-M126 HydrophobicContact CD2-CE 3.89Å; L122-M126 HydrophobicContact CB-CE 3.84Å; L122-M126 HydrophobicContact CD2-CE 3.65Å; L122-M126 HydrophobicContact CG-CE 4.22Å; L122-M126 WeakPolarHBondContact O-CB 3.47Å; L122-M126 PolarHBondContact O-N 3.4Å; H124-M126 PolarHBondContact O-N 3.35Å; M126-N128 PolarHBondContact O-N 3.19Å; M126-L129 HydrophobicContact CB-CB 4.06Å; M126-L129 HydrophobicContact CE-CD2 4.24Å; M126-L129 VanDerWaalsContact O-CB 3.28Å; M126-L129 WeakPolarHBondContact O-CB 3.49Å; M126-L129 PolarHBondContact O-N 2.86Å; M126-L129 VanDerWaalsContact O-N 3.12Å
127P86.4Confident90.5Very high89 Ų8950.5 Ų50.558%0.57827%0.265SS*.THydrogen-bonded Turntrans-62.2-27.5-176.923.5-34000113.8A125 L129 R142A125-P127 WeakPolarHBondContact O-CD 3.37Å; P127-L129 VanDerWaalsContact C-N 3.29Å; P127-L129 PolarHBondContact O-N 3.4Å; P127-R142 VanDerWaalsContact O-CZ 3.29Å; P127-R142 PolarHBondContact O-NH1 3.4Å; P127-R142 PolarHBondContact O-NH2 2.85Å
128N89.1Confident90.8Very high93 Ų9356 Ų5650%0.49727%0.272SS..THydrogen-bonded Turntrans-77.1-10.9179.7-68.8-20.9000114.3P99 L101 M126 R130P99-N128 PolarHBondContact O-ND2 2.83Å; L101-N128 CarbonylContact O-C 3.59Å; M126-N128 PolarHBondContact O-N 3.19Å; N128-R130 PolarHBondContact O-N 3.44Å
129L91.8Very high90.7Very high0 Ų060.1 Ų60.10%030%0.296CS..  trans-70115.6-176-171.272.3000111.2L104 M126 P127 L132 V137 R142L104-L129 HydrophobicContact CB-CD1 3.69Å; M126-L129 HydrophobicContact CB-CB 4.06Å; M126-L129 HydrophobicContact CE-CD2 4.24Å; M126-L129 VanDerWaalsContact O-CB 3.28Å; M126-L129 WeakPolarHBondContact O-CB 3.49Å; M126-L129 PolarHBondContact O-N 2.86Å; M126-L129 VanDerWaalsContact O-N 3.12Å; P127-L129 VanDerWaalsContact C-N 3.29Å; P127-L129 PolarHBondContact O-N 3.4Å; L129-L132 HydrophobicContact CD2-CB 3.89Å; L129-L132 HydrophobicContact CD2-CD1 4.24Å; L129-L132 HydrophobicContact CD2-CD2 4.12Å; L129-L132 HydrophobicContact CD2-CG 4.3Å; L129-V137 HydrophobicContact CD2-CG2 4.46Å; L129-V137 HydrophobicContact CG-CG2 4.45Å; L129-R142 PolarHBondContact O-NH2 3.08Å
130R92.1Very high90.7Very high160 Ų16061.8 Ų61.860%0.60431%0.311SS*.  trans-93-28.1-178.3-62.2-175.9175.5-162.8-5.7113.6R102 N128 P136 V137R102-R130 HydrophobicContact CB-CG 4.39Å; R102-R130 HydrophobicContact CG-CG 4.41Å; R102-R130 WeakPolarHBondContact O-CA 3.4Å; R102-R130 PolarHBondContact O-N 2.93Å; N128-R130 PolarHBondContact O-N 3.44Å; R130-P136 WeakPolarHBondContact O-CA 3.49Å; R130-V137 PolarHBondContact O-N 3.47Å
131K94.4Very high90.8Very high62 Ų6262 Ų6227%0.2731%0.31SS..EExtended strand (participates in β ladder)trans-143.1130.2-177.1-172.8172.1160.3-1690109.9R102 E103 L104 N134 F135R102-K131 PolarHBondContact O-N 3.16Å; E103-K131 WeakPolarHBondContact CA-O 3.49Å; E103-K131 HydrophobicContact CB-CB 4.4Å; E103-K131 HydrophobicContact CG-CB 3.99Å; E103-K131 WeakPolarHBondContact OE2-CD 3.09Å; E103-K131 IonicContact OE2-NZ 3.35Å; L104-K131 PolarHBondContact N-O 3.07Å; K131-N134 VanDerWaalsContact CE-O 3.29Å; K131-N134 WeakPolarHBondContact CE-O 3.49Å; K131-N134 WeakPolarHBondContact CE-OD1 3.48Å; K131-N134 PolarHBondContact NZ-OD1 3.24Å; K131-F135 WeakPolarHBondContact CA-O 3.38Å
132L93.2Very high90.9Very high0 Ų061.7 Ų61.70%031%0.306CS..EExtended strand (participates in β ladder)trans-131.9126.4-179.2178.254.8000108.6L104 R119 L122 V123 L129 N134 F135 V137L104-L132 HydrophobicContact CB-CD1 4.21Å; L104-L132 HydrophobicContact CD2-CD1 4.26Å; L104-L132 HydrophobicContact CG-CD1 4.22Å; L104-L132 CarbonylContact O-C 3.17Å; L104-L132 VanDerWaalsContact O-CA 3.29Å; L104-L132 WeakPolarHBondContact O-CA 3.44Å; R119-L132 HydrophobicContact CB-CD2 4.43Å; R119-L132 HydrophobicContact CG-CD2 3.96Å; R119-L132 PolarHBondContact NH1-O 2.66Å; L122-L132 HydrophobicContact CB-CD2 4.19Å; L122-L132 HydrophobicContact CD1-CD1 4.38Å; L122-L132 HydrophobicContact CD1-CD2 4.45Å; V123-L132 HydrophobicContact CG2-CD2 4.12Å; L129-L132 HydrophobicContact CD2-CB 3.89Å; L129-L132 HydrophobicContact CD2-CD1 4.24Å; L129-L132 HydrophobicContact CD2-CD2 4.12Å; L129-L132 HydrophobicContact CD2-CG 4.3Å; L132-N134 PolarHBondContact O-N 3.14Å; L132-F135 PolarHBondContact N-O 3Å; L132-F135 PolarHBondContact O-N 3.12Å; L132-V137 HydrophobicContact CB-CG2 3.95Å
133D90.7Very high90.8Very high5 Ų569.1 Ų69.13%0.02734%0.338CS..THydrogen-bonded Turntrans56.734177.2-57.6-50.5000113.6L104 L106 R107 Y118 F135L104-D133 PolarHBondContact O-N 2.92Å; L106-D133 WeakPolarHBondContact CA-OD1 3.38Å; L106-D133 PolarHBondContact N-OD1 2.91Å; R107-D133 HydrophobicContact CG-CB 3.6Å; R107-D133 PolarHBondContact N-OD1 3.35Å; Y118-D133 WeakPolarHBondContact CE2-OD2 3.49Å; Y118-D133 PolarHBondContact OH-OD2 3.01Å; Y118-D133 VanDerWaalsContact OH-OD2 3.06Å; D133-F135 VanDerWaalsContact O-CD2 3.29Å; D133-F135 WeakPolarHBondContact O-CD2 3.4Å; D133-F135 PolarHBondContact O-N 2.86Å
134N88.2Confident90.7Very high73 Ų7371 Ų7139%0.3935%0.354SS..THydrogen-bonded Turntrans70-4.3-170.7-64.1-77.5000118D105 R107 K131 L132D105-N134 PolarHBondContact OD2-ND2 3.37Å; R107-N134 PolarHBondContact NE-ND2 3.27Å; R107-N134 PolarHBondContact NH2-ND2 3Å; K131-N134 VanDerWaalsContact CE-O 3.29Å; K131-N134 WeakPolarHBondContact CE-O 3.49Å; K131-N134 WeakPolarHBondContact CE-OD1 3.48Å; K131-N134 PolarHBondContact NZ-OD1 3.24Å; L132-N134 PolarHBondContact O-N 3.14Å
135F91.3Very high90.7Very high139 Ų13967 Ų6761%0.6134%0.336SS*.EExtended strand (participates in β ladder)trans-90.7134.2172.5-63-83000111.3K131 L132 D133 V137K131-F135 WeakPolarHBondContact CA-O 3.38Å; L132-F135 PolarHBondContact N-O 3Å; L132-F135 PolarHBondContact O-N 3.12Å; D133-F135 VanDerWaalsContact O-CD2 3.29Å; D133-F135 WeakPolarHBondContact O-CD2 3.4Å; D133-F135 PolarHBondContact O-N 2.86Å; F135-V137 PolarHBondContact O-N 3.05Å
136P92.4Very high90.7Very high88 Ų8870 Ų7057%0.57135%0.347SS*.EExtended strand (participates in β ladder)trans-64.4135.4173.328.5-33.8000110.1R130 R138R130-P136 WeakPolarHBondContact O-CA 3.49Å; P136-R138 PolarHBondContact O-N 3Å
137V92.4Very high90.6Very high14 Ų1475.2 Ų75.29%0.08537%0.374CS..  trans-75.9115.2175.8178.30000108.2V123 L129 R130 L132 F135 R142V123-V137 HydrophobicContact CB-CG1 4.34Å; V123-V137 HydrophobicContact CG1-CG1 3.64Å; V123-V137 HydrophobicContact CG2-CG1 3.76Å; V123-V137 HydrophobicContact CG2-CG2 4.04Å; L129-V137 HydrophobicContact CD2-CG2 4.46Å; L129-V137 HydrophobicContact CG-CG2 4.45Å; R130-V137 PolarHBondContact O-N 3.47Å; L132-V137 HydrophobicContact CB-CG2 3.95Å; F135-V137 PolarHBondContact O-N 3.05Å; V137-R142 HydrophobicContact CG1-CG 4.09Å
138R91.8Very high90.5Very high158 Ų15875.4 Ų75.460%0.59637%0.367SS*.  trans-88.6150.8-176.9-75.6171.944.3161.9-5.9111.7P136 T140 E141 R142P136-R138 PolarHBondContact O-N 3Å; R138-T140 PolarHBondContact NE-OG1 2.83Å; R138-T140 PolarHBondContact NH2-OG1 3.01Å; R138-T140 PolarHBondContact O-N 2.81Å; R138-E141 HydrophobicContact CB-CB 4.36Å; R138-E141 WeakPolarHBondContact O-CA 3.21Å; R138-E141 VanDerWaalsContact O-CB 3.28Å; R138-E141 WeakPolarHBondContact O-CB 3.36Å; R138-E141 PolarHBondContact O-N 2.84Å; R138-R142 PolarHBondContact O-N 2.8Å
139D89.4Confident90.1Very high116 Ų11673.5 Ų73.562%0.6236%0.355SS*.Hα-helixtrans-63.2-26.7174.8-56.6-47.7000113E141 R142 K143D139-E141 VanDerWaalsContact C-N 3.34Å; D139-R142 PolarHBondContact O-N 3.12Å; D139-K143 WeakPolarHBondContact O-CB 3.41Å; D139-K143 VanDerWaalsContact O-CG 3.29Å; D139-K143 WeakPolarHBondContact O-CG 3.28Å; D139-K143 PolarHBondContact O-N 2.96Å
140T90.5Very high89.3Confident79 Ų7977.8 Ų77.849%0.48539%0.385SS..Hα-helixtrans-64.7-38.4170.854.20000112.1R138 A144R138-T140 PolarHBondContact NE-OG1 2.83Å; R138-T140 PolarHBondContact NH2-OG1 3.01Å; R138-T140 PolarHBondContact O-N 2.81Å; T140-A144 WeakPolarHBondContact O-CB 3.2Å; T140-A144 PolarHBondContact O-N 3.4Å
141E92Very high87.8Confident40 Ų4075.4 Ų75.419%0.18739%0.388CS..Hα-helixtrans-70.3-41177.4-175.2-178.4-172.700110.7R119 V123 R138 D139 A144 A145R119-E141 WeakPolarHBondContact CD-OE1 3.32Å; R119-E141 VanDerWaalsContact CG-OE1 3.3Å; R119-E141 WeakPolarHBondContact CG-OE1 3.31Å; R119-E141 IonicContact CZ-OE1 2.65Å; R119-E141 VanDerWaalsContact CZ-OE1 3.26Å; R119-E141 IonicContact CZ-OE2 3.33Å; R119-E141 IonicContact NE-OE1 2.97Å; R119-E141 PolarHBondContact NE-OE1 3.19Å; R119-E141 IonicContact NE-OE2 3.54Å; R119-E141 IonicContact NH2-OE1 3.34Å; R119-E141 PolarHBondContact NH2-OE1 2.9Å; R119-E141 VanDerWaalsContact NH2-OE1 3.1Å; R119-E141 IonicContact NH2-OE2 3.78Å; R119-E141 PolarHBondContact NH2-OE2 3.18Å; V123-E141 HydrophobicContact CG1-CG 4.35Å; V123-E141 HydrophobicContact CG2-CG 4.48Å; R138-E141 HydrophobicContact CB-CB 4.36Å; R138-E141 WeakPolarHBondContact O-CA 3.21Å; R138-E141 VanDerWaalsContact O-CB 3.28Å; R138-E141 WeakPolarHBondContact O-CB 3.36Å; R138-E141 PolarHBondContact O-N 2.84Å; D139-E141 VanDerWaalsContact C-N 3.34Å; E141-A144 PolarHBondContact O-N 3.1Å; E141-A145 WeakPolarHBondContact O-CB 3.39Å; E141-A145 PolarHBondContact O-N 2.8Å
142R92.2Very high86Confident48 Ų4878.7 Ų78.718%0.18141%0.405CS..Hα-helixtrans-59.5-46.6172.4-63.8-171.1-169.1-72-0112.5V123 P127 L129 V137 R138 D139 A145 I146V123-R142 HydrophobicContact CG1-CB 4.42Å; V123-R142 HydrophobicContact CG1-CG 3.82Å; P127-R142 VanDerWaalsContact O-CZ 3.29Å; P127-R142 PolarHBondContact O-NH1 3.4Å; P127-R142 PolarHBondContact O-NH2 2.85Å; L129-R142 PolarHBondContact O-NH2 3.08Å; V137-R142 HydrophobicContact CG1-CG 4.09Å; R138-R142 PolarHBondContact O-N 2.8Å; D139-R142 PolarHBondContact O-N 3.12Å; R142-A145 PolarHBondContact O-N 2.9Å; R142-I146 WeakPolarHBondContact O-CB 3.48Å; R142-I146 WeakPolarHBondContact O-CD1 3.3Å; R142-I146 VanDerWaalsContact O-CG1 3.23Å; R142-I146 WeakPolarHBondContact O-CG1 3.49Å; R142-I146 PolarHBondContact O-N 2.74Å
143K89.7Confident83.6Confident155 Ų15589.7 Ų89.767%0.67445%0.446SS*.Hα-helixtrans-63.4-41.7179.2-74174.7-177.9-174.50111.7D139 L147D139-K143 WeakPolarHBondContact O-CB 3.41Å; D139-K143 VanDerWaalsContact O-CG 3.29Å; D139-K143 WeakPolarHBondContact O-CG 3.28Å; D139-K143 PolarHBondContact O-N 2.96Å; K143-L147 WeakPolarHBondContact O-CB 3.36Å; K143-L147 PolarHBondContact O-N 3.23Å
144A88.9Confident81.2Confident43 Ų4395 Ų9536%0.35548%0.481SS..Hα-helixtrans-61.2-50.8174.200000111.4T140 E141 I146 L147 E148T140-A144 WeakPolarHBondContact O-CB 3.2Å; T140-A144 PolarHBondContact O-N 3.4Å; E141-A144 PolarHBondContact O-N 3.1Å; A144-I146 PolarHBondContact O-N 2.83Å; A144-L147 WeakPolarHBondContact O-CB 3.29Å; A144-L147 PolarHBondContact O-N 2.83Å; A144-L147 VanDerWaalsContact O-N 3.1Å; A144-E148 WeakPolarHBondContact O-CG 3.48Å; A144-E148 PolarHBondContact O-N 3.14Å
145A89.6Confident78.4Confident1 Ų197.1 Ų97.11%0.00850%0.501CS..Hα-helixtrans-60.9-42.8178.400000112.4P120 V123 H124 E141 R142 L147 E148 F149P120-A145 HydrophobicContact CB-CB 4.13Å; P120-A145 WeakPolarHBondContact O-CB 3.49Å; V123-A145 HydrophobicContact CG1-CB 4.48Å; H124-A145 HydrophobicContact CB-CB 4.18Å; E141-A145 WeakPolarHBondContact O-CB 3.39Å; E141-A145 PolarHBondContact O-N 2.8Å; R142-A145 PolarHBondContact O-N 2.9Å; A145-L147 VanDerWaalsContact C-N 3.33Å; A145-L147 PolarHBondContact O-N 3.39Å; A145-E148 PolarHBondContact O-N 2.9Å; A145-F149 HydrophobicContact CB-CD2 4.42Å; A145-F149 HydrophobicContact CB-CE2 4.36Å; A145-F149 WeakPolarHBondContact O-CD2 3.33Å; A145-F149 PolarHBondContact O-N 3.02Å
146I89.1Confident75.7Confident94 Ų9498.6 Ų98.648%0.48252%0.515SS..Hα-helixtrans-60.1-42.8174.2-69163.5000110.9R142 A144 S150R142-I146 WeakPolarHBondContact O-CB 3.48Å; R142-I146 WeakPolarHBondContact O-CD1 3.3Å; R142-I146 VanDerWaalsContact O-CG1 3.23Å; R142-I146 WeakPolarHBondContact O-CG1 3.49Å; R142-I146 PolarHBondContact O-N 2.74Å; A144-I146 PolarHBondContact O-N 2.83Å; I146-S150 WeakPolarHBondContact O-CA 3.45Å; I146-S150 WeakPolarHBondContact O-CB 3.46Å; I146-S150 PolarHBondContact O-N 3.44Å
147L86.9Confident72.9Confident122 Ų122103.3 Ų103.364%0.63953%0.529SS*.Hα-helixtrans-65.2-45.5178.1-173.967.6000112K143 A144 A145 S150 T151K143-L147 WeakPolarHBondContact O-CB 3.36Å; K143-L147 PolarHBondContact O-N 3.23Å; A144-L147 WeakPolarHBondContact O-CB 3.29Å; A144-L147 PolarHBondContact O-N 2.83Å; A144-L147 VanDerWaalsContact O-N 3.1Å; A145-L147 VanDerWaalsContact C-N 3.33Å; A145-L147 PolarHBondContact O-N 3.39Å; L147-S150 PolarHBondContact O-N 3.47Å; L147-T151 WeakPolarHBondContact O-CB 3.45Å; L147-T151 PolarHBondContact O-N 3.04Å; L147-T151 VanDerWaalsContact O-N 3.07Å; L147-T151 PolarHBondContact O-OG1 3.46Å
148E84.1Confident69.9Low93 Ų93111.7 Ų111.744%0.43557%0.567SS.*Hα-helixtrans-58.7-52.5177.5-73.7171.3-179.200111.5A144 A145 T151 Q152A144-E148 WeakPolarHBondContact O-CG 3.48Å; A144-E148 PolarHBondContact O-N 3.14Å; A145-E148 PolarHBondContact O-N 2.9Å; E148-T151 PolarHBondContact O-N 2.55Å; E148-Q152 WeakPolarHBondContact O-CG 3.42Å; E148-Q152 PolarHBondContact O-N 3.48Å
149F81.8Confident67.1Low53 Ų53109.6 Ų109.623%0.23258%0.577CS.*Hα-helixtrans-78.4-22.1-178.6-61.8-63000113.8P120 H121 H124 A145 T151 Q152P120-F149 HydrophobicContact CB-CE2 4.07Å; P120-F149 HydrophobicContact CB-CZ 4.41Å; H121-F149 HydrophobicContact CB-CE2 4.23Å; H121-F149 HydrophobicContact CB-CZ 3.77Å; H121-F149 AromaticContact ND1-CE1 3.99Å; H124-F149 HydrophobicContact CB-CD2 3.58Å; H124-F149 HydrophobicContact CB-CE2 3.98Å; H124-F149 AromaticContact CG-CD2 3.58Å; H124-F149 AromaticContact ND1-CD2 3.95Å; A145-F149 HydrophobicContact CB-CD2 4.42Å; A145-F149 HydrophobicContact CB-CE2 4.36Å; A145-F149 WeakPolarHBondContact O-CD2 3.33Å; A145-F149 PolarHBondContact O-N 3.02Å; F149-T151 VanDerWaalsContact C-N 3.31Å; F149-Q152 PolarHBondContact O-N 3.05Å
150S73.6Confident64Low91 Ų91109.8 Ų109.864%0.63659%0.587SS**Hα-helixtrans-72.8-23.5169.9-178.30000112.9I146 L147I146-S150 WeakPolarHBondContact O-CA 3.45Å; I146-S150 WeakPolarHBondContact O-CB 3.46Å; I146-S150 PolarHBondContact O-N 3.44Å; L147-S150 PolarHBondContact O-N 3.47Å
151T61.3Low61Low109 Ų109113.4 Ų113.467%0.66960%0.603SS**Hα-helixtrans-86.3-18.7176.4-47.70000111.2L147 E148 F149 R153L147-T151 WeakPolarHBondContact O-CB 3.45Å; L147-T151 PolarHBondContact O-N 3.04Å; L147-T151 VanDerWaalsContact O-N 3.07Å; L147-T151 PolarHBondContact O-OG1 3.46Å; E148-T151 PolarHBondContact O-N 2.55Å; F149-T151 VanDerWaalsContact C-N 3.31Å; T151-R153 PolarHBondContact O-N 3.44Å
152Q57Low57.9Low131 Ų131117.7 Ų117.761%0.61264%0.637SS**  trans-100.663.5-177.3-68.3-176.81500113.8E148 F149E148-Q152 WeakPolarHBondContact O-CG 3.42Å; E148-Q152 PolarHBondContact O-N 3.48Å; F149-Q152 PolarHBondContact O-N 3.05Å
153R42.2Very low54.9Low232 Ų232122.5 Ų122.588%0.87567%0.666SS**  trans-178.6147140.4-102.3159.5-172.6-172.12.2111.9T151T151-R153 PolarHBondContact O-N 3.44Å
154P41.6Very low51.9Low117 Ų117123 Ų12376%0.7668%0.676SS**SBendcis-117.4127.53.835.6-21.2000114.5
155S28.6Very low48.9Very low117 Ų117124.4 Ų124.482%0.81869%0.694SS**  trans-15149.5160.258.50000112.1
156L34Very low46Very low170 Ų170133 Ų13389%0.8974%0.735SS**  trans-139.188.1165.5-80.7178.6000110.1
157Q33.6Very low43.1Very low187 Ų187136.7 Ų136.787%0.87475%0.754SS**  trans-129.1152.7154.7-88.1-169.4-14.300108
158Q30.7Very low40.1Very low190 Ų190134 Ų13489%0.88876%0.756SS**  trans71129.8-170.2-47.9-179.65.600113.3
159S31.6Very low37.5Very low113 Ų113138.6 Ų138.679%0.7978%0.783SS**  cis-161.5141.5-9.548.80000107
160S26.2Very low34.9Very low121 Ų121139.3 Ų139.385%0.84681%0.805SS**  -155.8151.673.644.50000113.7
161L27.6Very low32.9Very low155 Ų155142.2 Ų142.281%0.81281%0.813SS**  trans-91.9143.8175.8-69.4158.8000110.7
162S25.3Very low31.2Very low129 Ų129144.1 Ų144.190%0.90282%0.819SS**  trans-135.7133.3144.1-730000107.4
163L29.3Very low30Very low149 Ų149145.9 Ų145.978%0.7883%0.831SS**  trans-95.4172-169-92.3145.9000113.4
164D26.8Very low29.3Very low165 Ų165140.3 Ų140.388%0.88282%0.823SS**  trans100.4121.3172.9-59.7-14000115.7
165G27.1Very low28.7Very low73 Ų73143.2 Ų143.275%0.75383%0.831SS**  cis179.7153.6-9.100000113.8
166Q27.7Very low28.6Very low182 Ų182143.8 Ų143.885%0.8583%0.825SS**  trans73.6133.8155.9-112171.60.400122.5
167L27.3Very low28.3Very low171 Ų171145.5 Ų145.590%0.89583%0.826SS**  trans69.2132.3164.1-45.7176.9000117.2
168G25.8Very low28.1Very low66 Ų66142.4 Ų142.468%0.6882%0.819SS**  cis163.5154.1-5.500000111.7
169L29.2Very low27.8Very low190 Ų190141.5 Ų141.5100%0.99582%0.815SS**  trans75.2132.6172.6-54.2168.3000119.2
170G27.2Very low27.6Very low67 Ų67141.1 Ų141.169%0.69182%0.818SS**  trans127.665.7130.400000121
171N31Very low27.5Very low153 Ų153141.2 Ų141.282%0.81881%0.814SS**  trans57.8109.9141.3-54.54.5000121.5
172D25.8Very low27.6Very low149 Ų149140.3 Ų140.380%0.79782%0.815SS**  33.6109.8124-54.9-18000120.8
173I31.8Very low27.6Very low168 Ų168144.6 Ų144.686%0.86281%0.812SS**  trans-131.7121.8131.3-62.6-175000108.5L175I173-L175 PolarHBondContact O-N 3.15Å
174V28.2Very low27.4Very low115 Ų115145.1 Ų145.170%0.69782%0.815SS**  trans-72.9122.3-177176.40000111.2N176V174-N176 HydrophobicContact CG1-CB 4.02Å
175L27.7Very low27.4Very low177 Ų177145.2 Ų145.293%0.92781%0.81SS**  trans-103105.3155.5-81.2177.3000108.9I173I173-L175 PolarHBondContact O-N 3.15Å
176N27.6Very low27.4Very low130 Ų130145 Ų14570%0.69581%0.808SS**  trans-93.3116.2179.6-16916.1000108.7V174V174-N176 HydrophobicContact CG1-CB 4.02Å
177F26.7Very low27.2Very low206 Ų206145.3 Ų145.390%0.90481%0.809SS**  trans-158.8143.7145.8-111.7-71.9000111.8
178V28.8Very low27.1Very low122 Ų122141.6 Ų141.674%0.73980%0.804SS**  trans-85.4136.3-162.91680000112.5
179E24.7Very low27.1Very low170 Ų170145.4 Ų145.479%0.79481%0.808SS**  trans-76145.6163.1-77.4-174.2131.700111.7
180A26.9Very low26.9Very low105 Ų105140 Ų14087%0.86879%0.787SS**  trans-132125.3162.600000109.6
181T25.1Very low26.9Very low123 Ų123143.2 Ų143.276%0.75579%0.787SS**  trans-98.4136.2-16751.90000114.2
182T29.3Very low26.5Very low136 Ų136144.8 Ų144.883%0.83478%0.783SS**  trans-159.411214747.80000105.6
183R25Very low26.6Very low220 Ų220144.9 Ų144.983%0.8378%0.776SS**  cis61.291.846.9-152.7-177.8-165.31715.7112.9
184D26.5Very low26.1Very low160 Ų160143.4 Ų143.486%0.85677%0.766SS**  trans-153.6163.1131.7-139.9-15.5000112.2
185Q25.7Very low25.9Very low166 Ų166144.3 Ų144.378%0.77677%0.771SS**  trans-121.9167-169.9-71.2169.3-10900113.1
186G26.9Very low25.8Very low68 Ų68140.4 Ų140.470%0.70176%0.764SS**  trans133.394.7170.900000111.2
187E25.1Very low25.7Very low189 Ų189141.8 Ų141.888%0.88377%0.767SS**  83.4142.861.8-72.4-159.7147.300115.1
188A24.9Very low25.9Very low94 Ų94138.3 Ų138.378%0.77777%0.765SS**  trans66.3143.4175.600000116.3
189D24.6Very low25.7Very low146 Ų146140.2 Ų140.278%0.78176%0.763SS**  cis-150.8165.3-1.8-135.6-36.2000112.6
190S26.3Very low25.6Very low77 Ų77143 Ų14354%0.53877%0.766SS.*  trans-31.5-179.915962.70000118.1
191L25.9Very low25.6Very low134 Ų134147.4 Ų147.470%0.70277%0.769SS**  cis-167.6117.137.3-145.5147.9000112.8
192Y23.7Very low25.7Very low185 Ų185149.8 Ų149.873%0.72577%0.772SS**  trans62.7141.5144.4-66.4-124.2000124.9
193K26.4Very low26Very low152 Ų152148.4 Ų148.466%0.66177%0.765SS**  trans71157.9130.5-80.7179.5165.1-132.30121
194E23Very low26.1Very low136 Ų136144.7 Ų144.764%0.63676%0.762SS**  cis-152.1148.6-10-137153.1-170.300111.2
195V23.5Very low26.1Very low134 Ų134143.1 Ų143.181%0.81275%0.753SS**  trans22.5125.2140.51790000120.7
196A25.8Very low26.1Very low95 Ų95145 Ų14579%0.78576%0.759SS**  175130.8112.900000114
197E24.8Very low26.3Very low160 Ų160146.5 Ų146.575%0.74876%0.755SS**  trans-78.8164.2151.7-66.5-168.6152.500109.7
198P30.7Very low26.4Very low133 Ų133144.2 Ų144.286%0.86475%0.753SS**  -140.1-176.5100.836.9-22.7000115.2
199K24.3Very low26.6Very low162 Ų162148 Ų14870%0.70476%0.755SS**  trans-101.7155.7-158.5-67.6164.4179.4163.80114.3
200R24.2Very low26.6Very low227 Ų227151.8 Ų151.886%0.85776%0.758SS**  trans53.4131.5143.1-70.4173.3-176.4-176.9-1119.7
201E25.2Very low26.5Very low198 Ų198153.9 Ų153.993%0.92577%0.771SS**  -160.8147.8117.8-107161.3-154.500110.5
202E27.4Very low26.6Very low173 Ų173152.1 Ų152.181%0.80877%0.771SS**  trans-100.7161.8172.9-74.4-86.2169.700108.4
203P35Very low26.9Very low108 Ų108149.6 Ų149.670%0.70177%0.774SS**  -150.3151.897.536.6-18.9000117.3
204D28.2Very low27.1Very low142 Ų142148.6 Ų148.676%0.75978%0.783SS**  22.2151.1128.9-52.3-26.2000120.3
205D26.4Very low27.4Very low126 Ų126150.9 Ų150.967%0.67479%0.791SS**  cis-163.1159.49.2-146.6-22.9000109.4
206F25Very low27.7Very low206 Ų206154 Ų15490%0.90479%0.794SS**  trans-178.1150.1132.5-122.4-96.3000114.1
207V30.9Very low27.8Very low100 Ų100159.1 Ų159.161%0.60680%0.802SS**  trans-110.2140.3-156.8172.40000114.2
208V28.7Very low28.1Very low141 Ų141158.3 Ų158.386%0.85580%0.802SS**  trans-142.3113.1143.5-176.60000113.2
209Q27.9Very low27.9Very low172 Ų172156.8 Ų156.880%0.80480%0.801SS**  trans24144.5146.8-129.587.2-3.300124.4
210R25.3Very low28.2Very low226 Ų226158 Ų15885%0.85381%0.806SS**  trans-89.9159.1-179.8-55.2168.5174.2155.6-3.3114.6
211C24.9Very low28.3Very low121 Ų121152.6 Ų152.682%0.81880%0.803SS**  166.9154.3111.9-95.30000110.3
212S28.1Very low28.5Very low98 Ų98151.7 Ų151.769%0.68580%0.803SS**  cis175.4133.3-19.7-93.20000104.7
213T29.9Very low28.5Very low131 Ų131149.9 Ų149.980%0.80480%0.798SS**  trans-93.8155.1-178.952.60000112.2
214P30.8Very low28Very low131 Ų131153.7 Ų153.785%0.85180%0.798SS**  trans-108.2150.3149.610.19.7000111.6
215K27.7Very low27.9Very low185 Ų185155.9 Ų155.980%0.80480%0.797SS**  trans-111.2147.5179.1-89.1177.5178168.90111.2
216K30.6Very low27.9Very low198 Ų198154.2 Ų154.286%0.86180%0.795SS**  trans59.2126.9153.2-67.7177.5175-174.40118.3
217E27.5Very low27.9Very low203 Ų203149.5 Ų149.595%0.94979%0.788SS**  -148.1175.5118.3-129.3178.2-156.700112.2
218L30.6Very low27.7Very low143 Ų143151.5 Ų151.575%0.74980%0.801SS**  trans-129.8131.8-155.4174.2152.7000110.4K220L218-K220 HydrophobicContact CD2-CG 4.26Å
219A28.2Very low27.7Very low102 Ų102153.7 Ų153.784%0.84380%0.798SS**  trans-135.3131.7171.700000111
220K29.8Very low27.6Very low187 Ų187153.7 Ų153.781%0.81380%0.804SS**  trans-95.4158.6179.8-70.8173.6178.4172.60111.4L218L218-K220 HydrophobicContact CD2-CG 4.26Å
221S27Very low27.7Very low113 Ų113148 Ų14879%0.7980%0.799SS**  trans-16.3145.4160.6-43.50000119
222I28.7Very low27.7Very low180 Ų180150.8 Ų150.892%0.92380%0.804SS**  trans-147.9163.6135.3-100.4148.5000109.2
223L27.4Very low27.7Very low135 Ų135150 Ų15071%0.70780%0.804SS**  trans-127.8157.2-149.5-118172.3000111.9
224R24.8Very low27.5Very low188 Ų188152.7 Ų152.771%0.70981%0.807SS**  trans72.6162.5163.4-53170.4-161.6169.63.1115.9
225Y26.3Very low27.4Very low187 Ų187151.2 Ų151.273%0.73380%0.8SS**  cis-15016119.5-122.6-61.2000113.9
226S25.3Very low27.3Very low91 Ų91151 Ų15164%0.63680%0.799SS**  trans19.8128.3150.651.20000120.8
227S25.6Very low27.1Very low107 Ų107148.3 Ų148.375%0.74879%0.794SS**  72.6117.363.7-169.80000115.4
228T27.5Very low27Very low143 Ų143143.1 Ų143.188%0.87778%0.78SS**  trans-141.3142144.729.70000109.6
229K28.5Very low26.8Very low186 Ų186144.7 Ų144.781%0.80978%0.784SS**  trans-83.2157.6169.7-57.9170.9-178.51760108.4
230N26.2Very low26.6Very low173 Ų173147 Ų14793%0.92578%0.779SS**  -154.9131.2127.7-104.6-11.2000111.3
231S25.5Very low26.4Very low105 Ų105144.1 Ų144.173%0.73477%0.772SS**  trans-99.8143.9174.148.90000109.6
232L26.4Very low26.3Very low180 Ų180143.8 Ų143.894%0.94277%0.766SS**  trans-142.3145147.4-153.667.8000108.8
233A27.7Very low26Very low81 Ų81142.1 Ų142.167%0.66976%0.758SS**  trans-121.3-167.5-170.700000110.6
234E25.1Very low26.7Very low189 Ų189141.3 Ų141.388%0.88376%0.761SS**  trans78141.3171.9-57.5-174.2156.600115.5
235S28.3Very low26.8Very low100 Ų100139.7 Ų139.770%0.69976%0.761SS**  cis-163.8147.4-10.349.70000112.4
236K27Very low26.8Very low181 Ų181137.3 Ų137.379%0.78776%0.761SS**  trans51.6146.9131.9-71.7-169.2173.2-172.80124.7
237D25.3Very low26.8Very low141 Ų141140.6 Ų140.675%0.75477%0.771SS**  trans65.4153.3147.5-59.4-19.4000118.7
238S26Very low26.8Very low94 Ų94140.5 Ų140.566%0.65777%0.77SS**  cis-168.4149.2-20.552.10000111.1
239Q25.7Very low26.7Very low175 Ų175138.7 Ų138.782%0.81876%0.763SS**  trans45.8137.3147.6-74.7-175-23.600124.9
240M24.8Very low26.5Very low152 Ų152136.7 Ų136.775%0.74977%0.767SS**  104.2144.9128.9-100.4-168.117400123.6
241N26.1Very low26.5Very low125 Ų125133.8 Ų133.867%0.66876%0.76SS**  trans74.4146.3156.8-61.2-11.2000120.4
242T23.3Very low27.1Very low107 Ų107134.7 Ų134.766%0.65676%0.763SS**  cis-174.1128-34.531.40000109.7
243L24.2Very low27.1Very low145 Ų145136.2 Ų136.276%0.75976%0.762SS**  trans55.7174.1143.4-71.8164.3000119.8
244P40.8Very low27Very low118 Ų118135.8 Ų135.877%0.76677%0.766SS**  cis-126.8-177.5-233.5-12.6000116.7
245H26.8Very low27.2Very low153 Ų153131.7 Ų131.771%0.70877%0.765SS**  trans-55.2158.2177.2-57.6-101.7000117.2
246N26.2Very low27.4Very low138 Ų138136.2 Ų136.274%0.73878%0.775SS**  -177.3140.6106.3-98.9-43.1000115.2
247L26Very low27.5Very low160 Ų160139.4 Ų139.484%0.83878%0.782SS**  trans55.8148.5145.1-59.3171.4000119.3
248S24.5Very low27.8Very low104 Ų104138 Ų13873%0.72778%0.781SS**  cis-155.8169.1-0.947.90000110.7
249S25.8Very low28.1Very low105 Ų105143.6 Ų143.673%0.73479%0.793SS**  trans-68.2140.9177.453.40000115
250T25.8Very low28.3Very low144 Ų144140.1 Ų140.188%0.88378%0.784SS**  trans-165.5143.7132.47.90000112.3
251S25.4Very low28.6Very low113 Ų113138.2 Ų138.279%0.7979%0.785SS**  trans-111.8152.5162.1-65.60000107.8
252P37.8Very low28.8Very low123 Ų123141.5 Ų141.580%0.79979%0.794SS**  -147.6154.99136.1-18.8000117.1
253K26.5Very low29.3Very low212 Ų212139.2 Ų139.292%0.92279%0.791SS**  trans14130.8145.9-60.8174.4178.3175.10119.5
254G26.3Very low29.8Very low73 Ų73138.2 Ų138.275%0.75379%0.794SS**  trans150.8114137.100000117.6
255A28.2Very low29.2Very low103 Ų103139 Ų13985%0.85180%0.796SS**  trans70.3141.7156.300000121
256E32.2Very low29.4Very low195 Ų195140.9 Ų140.991%0.91180%0.803SS**  trans46.5111.6160.8-53.6-157147.500121
257R29.5Very low29.6Very low247 Ų247143.2 Ų143.293%0.93281%0.809SS**  trans-89.5141.5169.2-67.9-177178-174.8-0.9111.3
258P32.9Very low29.6Very low113 Ų113145.1 Ų145.173%0.73481%0.81SS**  trans-72.7146-170.828.8-35.6000113.7V260P258-V260 PolarHBondContact O-N 3.32Å
259K31.3Very low29.8Very low210 Ų210149.3 Ų149.391%0.91382%0.818SS**  trans-79109.6165.8-69169.2-177.7164.60108.4
260V30.1Very low29.8Very low103 Ų103154.1 Ų154.162%0.62483%0.826SS**  trans-91.6107.5175.1-165.40000109.2P258 F262P258-V260 PolarHBondContact O-N 3.32Å; V260-F262 HydrophobicContact CB-CE2 4.4Å; V260-F262 HydrophobicContact CG1-CD2 3.97Å; V260-F262 HydrophobicContact CG1-CE1 4.28Å; V260-F262 HydrophobicContact CG1-CE2 3.37Å; V260-F262 HydrophobicContact CG1-CZ 3.55Å
261S31.6Very low29.8Very low111 Ų111154 Ų15478%0.77683%0.825SS**  trans-102.2119.6167.754.20000109.1
262F30.3Very low30Very low194 Ų194155.3 Ų155.385%0.85183%0.828SS**  trans-92.4117.7169.4-68.9-78.5000109.3V260V260-F262 HydrophobicContact CB-CE2 4.4Å; V260-F262 HydrophobicContact CG1-CD2 3.97Å; V260-F262 HydrophobicContact CG1-CE1 4.28Å; V260-F262 HydrophobicContact CG1-CE2 3.37Å; V260-F262 HydrophobicContact CG1-CZ 3.55Å
263G32.9Very low29.5Very low59 Ų59155 Ų15561%0.60883%0.829SS**  trans-152.7144.9172.800000108.5
264P35.2Very low29.6Very low124 Ų124148.5 Ų148.581%0.80582%0.822SS**PPolyproline II helixtrans-71.8132.6-169.527.8-34.2000112.2
265V28Very low29.6Very low134 Ų134155.1 Ų155.181%0.81283%0.83SS**PPolyproline II helixtrans-88.4126.5170.6175.40000108.3
266F31.8Very low29.7Very low194 Ų194160 Ų16085%0.85184%0.835SS**PPolyproline II helixtrans-85118.9165.8-83.4-88000109.5
267E28.7Very low29.4Very low186 Ų186159.8 Ų159.887%0.86983%0.831SS**PPolyproline II helixtrans-66.8138.9166.2-68-175.912600110.3
268K27.2Very low29.4Very low200 Ų200156.3 Ų156.387%0.8783%0.826SS**  trans-125.8140.2162-82.2-169.4174.3-176.10109.4
269H28.9Very low29.2Very low192 Ų192157 Ų15789%0.88983%0.828SS**  trans-65.6153.5-168.8-72.8-91.8000114.1
270K24.8Very low29Very low207 Ų207153.7 Ų153.790%0.982%0.82SS**  trans-77129.9178.3-166.4-178.5-169.1179.30110.5
271T27Very low28.9Very low141 Ų141154.3 Ų154.387%0.86583%0.829SS**  trans-135.9164.1164.228.40000111.8
272V28.2Very low28.8Very low141 Ų141154 Ų15486%0.85583%0.827SS**  trans-88.3155.3-150.8171.10000113.9
273S28.3Very low28.9Very low116 Ų116149.8 Ų149.881%0.81182%0.822SS**  trans-62.5137.2177.754.60000115
274G27.6Very low28.8Very low76 Ų76155.5 Ų155.578%0.78484%0.837SS**  trans-136.7123.9158.600000109.9
275K26.6Very low28.7Very low211 Ų211154.6 Ų154.692%0.91783%0.829SS**  trans-85.9132.2178.3-71.6176.3177.9173.20110.4
276Q29.9Very low29.2Very low205 Ų205160 Ų16096%0.95884%0.835SS**  trans-149.4172140.3-119.9161.6-13.700111.2
277K27.2Very low29.3Very low191 Ų191159 Ų15983%0.8383%0.833SS**  trans-131.2166.4-143.1-159.6-177.9-175.2-173.50110.1
278Q29Very low29.9Very low175 Ų175159.5 Ų159.582%0.81883%0.832SS**  trans79.2143.3175.1-58172.7-36.200114
279T27.9Very low30.3Very low127 Ų127154.8 Ų154.878%0.77983%0.831SS**  cis-152.2176.21.7-0.30000111.5
280D27.1Very low30.7Very low140 Ų140156.5 Ų156.575%0.74983%0.829SS**  trans-81.9165.8-157.9-54.9-83000119.1
281S28.5Very low31.1Very low117 Ų117150.4 Ų150.482%0.81883%0.825SS**  trans77150.2151.985.70000117.5
282S30.7Very low31.7Very low105 Ų105151.7 Ų151.773%0.73482%0.821SS**  cis-150.11652.147.50000112.8
283S30.7Very low32.2Very low105 Ų105154.5 Ų154.573%0.73482%0.822SS**  trans-17.6126.2172.652.60000119.9
284L31.5Very low32.8Very low179 Ų179155.4 Ų155.494%0.93782%0.822SS**  trans-99100.8168.1-128.8150000111.1
285T34Very low33.1Very low104 Ų104155.6 Ų155.664%0.63882%0.817SS**  trans-75.8133-179.5-41.30000111.3H287T285-H287 PolarHBondContact O-N 3.48Å
286R37.8Very low33.2Very low247 Ų247153 Ų15393%0.93281%0.813SS**  trans-82.196.1-170.5-168.8178.8-172.6173.12.8112.3
287H34.9Very low33.6Very low174 Ų174148.2 Ų148.281%0.80680%0.8SS**PPolyproline II helixtrans-78.3143.9175.1-78.5-80.3000113.7T285T285-H287 PolarHBondContact O-N 3.48Å
288K40.4Very low33.8Very low197 Ų197144 Ų14486%0.85780%0.8SS**PPolyproline II helixtrans-97.8118.3-178.8-176.5179.9-177.2179.20109.4R290K288-R290 PolarHBondContact O-N 3.33Å
289A36.1Very low34.1Very low101 Ų101145 Ų14584%0.83581%0.805SS**PPolyproline II helixtrans-63129-179.400000112.1
290R37.5Very low34.2Very low228 Ų228144.1 Ų144.186%0.8680%0.804SS**  trans-96.6114.6161.8-77.8-172.2174.1-161.70.3108K288K288-R290 PolarHBondContact O-N 3.33Å
291G33.1Very low34.4Very low78 Ų78145.3 Ų145.380%0.80481%0.805SS**  trans-81129.517200000110.9
292H38.8Very low34.4Very low169 Ų169147.1 Ų147.178%0.78280%0.8SS**  trans-103.6134.1161.2-75.9-81.3000108.7
293F37.7Very low34.3Very low200 Ų200153.3 Ų153.388%0.87781%0.808SS**  trans-104.7109.8-172.8-170.8-88.7000109.3
294T41.1Very low34.1Very low134 Ų134152.3 Ų152.382%0.82281%0.814SS**PPolyproline II helixtrans-100.5118.9177.9-41.10000109.1
295A34.7Very low33.9Very low80 Ų80149.4 Ų149.466%0.66181%0.809SS**PPolyproline II helixtrans-83.3123.7175.100000110
296N29Very low33.7Very low156 Ų156149.6 Ų149.683%0.83481%0.814SS**PPolyproline II helixtrans-78.5130.8173.5-15935.1000109.7
297P38.3Very low33.4Very low105 Ų105147.4 Ų147.468%0.68281%0.812SS**PPolyproline II helixtrans-73.9155.2176.730.2-34000111.8
298A31.2Very low33.1Very low102 Ų102142.3 Ų142.384%0.84381%0.806SS**PPolyproline II helixtrans-72.4149.117700000111.7
299Q34.8Very low32.6Very low197 Ų197140.8 Ų140.892%0.92181%0.808SS**PPolyproline II helixtrans-89.9136.4168.3-70.5-177.2-21.200110.3
300S31.1Very low32.3Very low109 Ų109144.2 Ų144.276%0.76281%0.81SS**  trans-139.7112.1159.359.10000109.9
301E29.6Very low31.9Very low165 Ų165144.5 Ų144.577%0.77181%0.811SS**  trans68.3120.9139.7-70.5-176.8-168.900123.3
302H28.6Very low33Very low154 Ų154146.1 Ų146.171%0.71381%0.808SS**  trans85123.7130.4-70.6-43.3000123.5
303R28.6Very low32.9Very low235 Ų235144.2 Ų144.289%0.88781%0.81SS**  trans60109.3149.2-68.2-175.9-178-109.91.6118.1
304G27.2Very low32.5Very low85 Ų85139.9 Ų139.988%0.87681%0.805SS**  trans-72.9150.1156.400000112.2
305S27.9Very low33.3Very low117 Ų117138.9 Ų138.982%0.81880%0.801SS**  trans-114.6129.7164.153.90000108.5
306S30Very low33Very low108 Ų108142.4 Ų142.476%0.75581%0.808SS**  trans-83.1148.1176.3-178.60000112
307F30.2Very low33.1Very low201 Ų201144.9 Ų144.988%0.88281%0.805SS**  trans-37.7153.7152.2-48.2-96.9000112.8
308G28.8Very low32.5Very low67 Ų67145.9 Ų145.969%0.69182%0.815SS**  cis177.4-163.42.300000112.3
309D30.4Very low32.4Very low165 Ų165144.5 Ų144.588%0.88281%0.81SS**  trans92.9134.6169.5-66.3-25.7000120.6
310I30.3Very low32.2Very low174 Ų174142.1 Ų142.189%0.89280%0.803SS**  trans-179.6140.1131.4-91.5155.6000110.2
311R29.3Very low32.1Very low233 Ų233144.1 Ų144.188%0.87981%0.805SS**  trans-103.9155.3171.7-128.5-168.2169.5-176.3-2.6109.7
312P55.2Low32.2Very low112 Ų112143.7 Ų143.773%0.72781%0.807SS**  trans-91.2167.5-172.539.9-35.8000112.9
313P37.9Very low32.4Very low129 Ų129140.4 Ų140.484%0.83881%0.807SS**  -147.9175.290.337.9-19.2000116.6
314S29.3Very low32.5Very low110 Ų110136.2 Ų136.277%0.76980%0.802SS**  trans-93.8-164.8176.9-15.90000112.2
315P57.3Low32.9Very low113 Ų113140.3 Ų140.373%0.73480%0.798SS**  cis-132.4-176-40.538.5-22.1000113
316L28.8Very low33.3Very low153 Ų153140.4 Ų140.480%0.80180%0.799SS**  trans174.2129.5133.6-95.7161.4000117.7
317R30.2Very low33.6Very low209 Ų209142.9 Ų142.979%0.78980%0.804SS**  trans20.2136.1150.1-73.6177.7179.4-102.4-0.4124.5
318S26.6Very low34.6Very low126 Ų126138.9 Ų138.988%0.88180%0.798SS**  177.9147.7105-72.40000110.5
319G27.4Very low35Very low72 Ų72141.3 Ų141.374%0.74280%0.799SS**  cis-177.2130.4-1000000113.2
320L32.4Very low35.6Very low147 Ų147141.5 Ų141.577%0.7780%0.799SS**  trans35128147.3-59.4172.4000124.2
321N27.9Very low35.8Very low151 Ų151141.1 Ų141.181%0.80779%0.793SS**  -166.3117.9124.7-89.1-42.9000107.5
322L31Very low36.3Very low156 Ų156135.8 Ų135.882%0.81779%0.789SS**  42.3125.694.5-93.973.2000113.4
323A33.9Very low35.4Very low86 Ų86135.1 Ų135.171%0.71179%0.793SS**  cis-158.9-172.8-8.500000106.9
324D30.1Very low35.3Very low146 Ų146140.2 Ų140.278%0.78180%0.795SS**  cis-156.1-170.33.6-146.4-46.4000109.9
325H36.9Very low35.6Very low171 Ų171143.1 Ų143.179%0.79280%0.801SS**  trans-89.7132-175.5-63.6-87.6000115.5
326S35.6Very low34.4Very low120 Ų120144.2 Ų144.284%0.83981%0.806SS**  -179.8141.6129.1-84.40000114.3
327N37.1Very low34.4Very low159 Ų159148 Ų14885%0.8581%0.811SS**  trans77.4120.9165.2-120.9-5000119.3
328P50.2Low34.3Very low117 Ų117142.2 Ų142.276%0.7680%0.803SS**  trans-99.9126.6179.436.1-29.4000112.9
329V37.5Very low34.5Very low119 Ų119141.4 Ų141.472%0.72180%0.797SS**  trans-136126.1164.2-177.20000110.5
330L42.4Very low34.6Very low169 Ų169146.7 Ų146.789%0.88580%0.8SS**  trans-69.9125.6176.8-68.6158.2000110.9
331H35.3Very low34.7Very low165 Ų165147.2 Ų147.276%0.76480%0.804SS**  trans-123.6121162.5-73.1-47.8000110.1
332P39.4Very low35Very low121 Ų121148.9 Ų148.979%0.78680%0.804SS**PPolyproline II helixtrans-71.1151.8174.529.9-33.6000111.1R334P332-R334 PolarHBondContact O-N 3.09Å
333A35.5Very low35Very low98 Ų98147 Ų14781%0.8180%0.798SS**PPolyproline II helixtrans-61.2134.1-172.500000113.2L335A333-L335 PolarHBondContact O-N 3.23Å
334R36.1Very low35Very low237 Ų237151.2 Ų151.289%0.89480%0.804SS**PPolyproline II helixtrans-65.4123.2172.4-77.5-178.2166.5-165.1-3.4110.5P332 T336P332-R334 PolarHBondContact O-N 3.09Å; R334-T336 PolarHBondContact O-N 2.91Å
335L36.3Very low34.9Very low170 Ų170148.1 Ų148.189%0.8981%0.807SS**  trans-70.2113.3168.4-71166.8000110.3A333 Y337A333-L335 PolarHBondContact O-N 3.23Å; L335-Y337 PolarHBondContact O-N 3.04Å
336T32.5Very low34.7Very low136 Ų136149.9 Ų149.983%0.83481%0.806SS**  trans-82.8101.9170.737.70000110.5R334 S338R334-T336 PolarHBondContact O-N 2.91Å; T336-S338 PolarHBondContact O-N 3.16Å; T336-S338 VanDerWaalsContact O-N 3.17Å
337Y28.9Very low34.3Very low234 Ų234149.9 Ų149.992%0.91881%0.807SS**  trans-83.788174.6-140.4-93.3000110.1L335L335-Y337 PolarHBondContact O-N 3.04Å
338S27.7Very low34Very low87 Ų87147.5 Ų147.561%0.60879%0.794SS**  trans-77.3120175.5-176.10000110.8T336 F340T336-S338 PolarHBondContact O-N 3.16Å; T336-S338 VanDerWaalsContact O-N 3.17Å; S338-F340 WeakPolarHBondContact OG-CE2 3.37Å
339S31.3Very low33.1Very low109 Ų109153.6 Ų153.676%0.76280%0.801SS**  trans-80.5122.8175.655.90000111.5
340F28.8Very low32.8Very low183 Ų183156.5 Ų156.580%0.80381%0.807SS**  trans-121.1130.1166-81.7-83000111S338S338-F340 WeakPolarHBondContact OG-CE2 3.37Å
341N33.5Very low32.3Very low158 Ų158154.9 Ų154.985%0.84581%0.807SS**  trans-123.2133.5174.3-92.9-25.7000108.9
342K34.4Very low32.2Very low185 Ų185155.6 Ų155.680%0.80481%0.811SS**  trans63.8151.2173.6-73-175.4168.9-169.30115.2
343T31Very low31.9Very low116 Ų116154.3 Ų154.371%0.71281%0.81SS**  cis-143.3133.318.2-21.30000112.5
344E33.7Very low31.9Very low175 Ų175158 Ų15882%0.81881%0.81SS**  trans27.1135.2140.6-61.7173.6-176.600123.6
345G28.9Very low32Very low82 Ų82155.3 Ų155.385%0.84581%0.805SS**  trans-17091.1164.400000108.6
346R32Very low32.3Very low207 Ų207155.8 Ų155.878%0.78180%0.8SS**  trans-92.1139.6-166.2179.7-176.8177.3-162.5-2.9112.4D348R346-D348 IonicContact CZ-OD1 2.78Å; R346-D348 IonicContact CZ-OD2 3.3Å; R346-D348 IonicContact NE-OD1 2.84Å; R346-D348 PolarHBondContact NE-OD1 3.17Å; R346-D348 IonicContact NE-OD2 2.87Å; R346-D348 PolarHBondContact NE-OD2 2.87Å; R346-D348 IonicContact NH2-OD1 2.81Å; R346-D348 PolarHBondContact NH2-OD1 3.24Å; R346-D348 IonicContact NH2-OD2 3.8Å; R346-D348 PolarHBondContact NH2-OD2 2.85Å
347S28.6Very low33.1Very low121 Ų121159 Ų15985%0.84680%0.802SS**  trans-149.4139146.3-162.90000110.2
348D30.6Very low34Very low109 Ų109155 Ų15558%0.58379%0.79SS**  trans-82137.4-154.9-73.5-59.5000115.4R346R346-D348 IonicContact CZ-OD1 2.78Å; R346-D348 IonicContact CZ-OD2 3.3Å; R346-D348 IonicContact NE-OD1 2.84Å; R346-D348 PolarHBondContact NE-OD1 3.17Å; R346-D348 IonicContact NE-OD2 2.87Å; R346-D348 PolarHBondContact NE-OD2 2.87Å; R346-D348 IonicContact NH2-OD1 2.81Å; R346-D348 PolarHBondContact NH2-OD1 3.24Å; R346-D348 IonicContact NH2-OD2 3.8Å; R346-D348 PolarHBondContact NH2-OD2 2.85Å
349R30Very low35.4Very low244 Ų244153 Ų15392%0.92178%0.784SS**  trans-120.4151.8152.5-78.5-169.9172.7-166.4-0.6109.8
350Q32Very low37.1Very low181 Ų181151.1 Ų151.185%0.84678%0.781SS**  trans-55.9153.4-171.3-65.9164.4-69.400113.4Q352Q350-Q352 VanDerWaalsContact C-N 3.28Å; Q350-Q352 PolarHBondContact O-N 3.28Å
351P32.8Very low39.2Very low135 Ų135148 Ų14888%0.87777%0.765SS**  trans-75.475.3-177.833-37.1000112
352Q32.6Very low41.5Very low180 Ų180146.3 Ų146.384%0.84175%0.747SS**  trans-77.3135.2147-82.7-169.1-18.400108.2Q350 E354Q350-Q352 VanDerWaalsContact C-N 3.28Å; Q350-Q352 PolarHBondContact O-N 3.28Å; Q352-E354 PolarHBondContact O-N 2.96Å
353A33.7Very low43.7Very low94 Ų94145 Ų14578%0.77774%0.741SS**  trans-64.493.7-171.300000111.8K355A353-K355 PolarHBondContact O-N 3.49Å
354E33.7Very low46.2Very low174 Ų174140.4 Ų140.481%0.81371%0.713SS**  trans-63.281.5159.9-73-160.5160.800109.1Q352 K356Q352-E354 PolarHBondContact O-N 2.96Å; E354-K356 PolarHBondContact O-N 3.29Å
355K39.7Very low48.6Very low182 Ų182136.8 Ų136.879%0.79170%0.699SS**  trans-59.889.5152.7-75.1-178.2178.3174.80106.1A353 K357A353-K355 PolarHBondContact O-N 3.49Å; K355-K357 PolarHBondContact O-N 2.84Å
356K42.6Very low51.3Low180 Ų180136.5 Ų136.578%0.78368%0.676SS**  trans-43.4104.8165.9-74.4-177.5176.1179.40106.5E354 K358E354-K356 PolarHBondContact O-N 3.29Å; K356-K358 PolarHBondContact O-N 2.93Å
357K48.2Very low53.7Low202 Ų202131.2 Ų131.288%0.87866%0.661SS**  trans-70.277.8-178.3-72.6-175.1179.3179.10107.5K355 G359K355-K357 PolarHBondContact O-N 2.84Å; K357-G359 PolarHBondContact O-N 2.96Å; K357-G359 VanDerWaalsContact O-N 3.1Å
358K47.7Very low56.4Low150 Ų150126.9 Ų126.965%0.65263%0.628SS**  trans-44.1120.7162-77.4178.8171.1-1790105.5K356K356-K358 PolarHBondContact O-N 2.93Å
359G57.6Low59Low47 Ų47126.4 Ų126.449%0.48563%0.625SS.*  trans-48.1142.1-15700000113.2K357 Y361 R362K357-G359 PolarHBondContact O-N 2.96Å; K357-G359 VanDerWaalsContact O-N 3.1Å; G359-Y361 PolarHBondContact O-N 3.36Å; G359-R362 VanDerWaalsContact O-CB 3.26Å; G359-R362 WeakPolarHBondContact O-CB 3.35Å; G359-R362 PolarHBondContact O-N 3.46Å
360G66.1Low61.6Low69 Ų69119.9 Ų119.971%0.71161%0.608SS**THydrogen-bonded Turntrans-54-25.5-171.500000114.7R362 P364G360-R362 VanDerWaalsContact C-N 3.34Å; G360-R362 PolarHBondContact O-N 3.38Å; G360-P364 WeakPolarHBondContact O-CD 3.4Å
361Y73.4Confident64.2Low118 Ų118111.7 Ų111.746%0.46357%0.571SS.*THydrogen-bonded Turntrans-73.9-15.2175.2-49.4-57.6000115G359 K363 P364 L365 M399 I403G359-Y361 PolarHBondContact O-N 3.36Å; Y361-K363 PolarHBondContact O-N 3Å; Y361-P364 WeakPolarHBondContact O-CD 3.36Å; Y361-L365 WeakPolarHBondContact O-CB 3.44Å; Y361-L365 PolarHBondContact O-N 2.9Å; Y361-M399 HydrophobicContact CD1-CB 4.29Å; Y361-M399 HydrophobicContact CD1-CE 3.64Å; Y361-M399 HydrophobicContact CD1-CG 4.09Å; Y361-M399 HydrophobicContact CE1-CB 4.36Å; Y361-M399 HydrophobicContact CE1-CE 4.27Å; Y361-M399 HydrophobicContact CG-CE 4.26Å; Y361-I403 HydrophobicContact CE1-CD1 4.01Å; Y361-I403 HydrophobicContact CE1-CG1 4.05Å; Y361-I403 WeakPolarHBondContact OH-CD1 3.48Å; Y361-I403 WeakPolarHBondContact OH-CG1 3.28Å
362R81.3Confident66.6Low122 Ų122107.7 Ų107.746%0.4654%0.543SS..Hα-helixtrans-56.4-48.4-176.1178.1175.6172.4131.814.1111.9G359 G360 L365 E366G359-R362 VanDerWaalsContact O-CB 3.26Å; G359-R362 WeakPolarHBondContact O-CB 3.35Å; G359-R362 PolarHBondContact O-N 3.46Å; G360-R362 VanDerWaalsContact C-N 3.34Å; G360-R362 PolarHBondContact O-N 3.38Å; R362-L365 PolarHBondContact O-N 2.8Å; R362-E366 HydrophobicContact CG-CG 4.43Å; R362-E366 WeakPolarHBondContact CG-OE1 3.25Å; R362-E366 IonicContact CZ-OE1 3.2Å; R362-E366 IonicContact NE-OE1 2.72Å; R362-E366 PolarHBondContact NE-OE1 3.46Å; R362-E366 IonicContact NE-OE2 3.97Å; R362-E366 IonicContact NH2-OE1 3.75Å; R362-E366 PolarHBondContact NH2-OE1 2.89Å; R362-E366 WeakPolarHBondContact O-CB 3.33Å; R362-E366 WeakPolarHBondContact O-CG 3.34Å; R362-E366 PolarHBondContact O-N 2.92Å
363K81.2Confident69Low157 Ų157104.8 Ų104.868%0.68353%0.534SS*.Hα-helixtrans-69.6-48.4-180-69.4-176.4175.7-169.20112.6Y361 L365 E366 M367Y361-K363 PolarHBondContact O-N 3Å; K363-L365 VanDerWaalsContact C-N 3.28Å; K363-L365 PolarHBondContact O-N 2.8Å; K363-E366 PolarHBondContact O-N 2.7Å; K363-M367 VanDerWaalsContact O-CG 3.31Å; K363-M367 WeakPolarHBondContact O-CG 3.35Å; K363-M367 PolarHBondContact O-N 3.35Å
364P84.3Confident71.3Confident20 Ų20107 Ų10713%0.1353%0.526CS..Hα-helixtrans-53.8-40.7170-30.436.2000114.1G360 Y361 M367 L368 I395 M399G360-P364 WeakPolarHBondContact O-CD 3.4Å; Y361-P364 WeakPolarHBondContact O-CD 3.36Å; P364-M367 WeakPolarHBondContact O-CB 3.49Å; P364-M367 PolarHBondContact O-N 3Å; P364-L368 WeakPolarHBondContact O-CG 3.31Å; P364-L368 PolarHBondContact O-N 3.14Å; P364-I395 HydrophobicContact CB-CG2 3.7Å; P364-I395 WeakPolarHBondContact O-CG2 3.43Å; P364-M399 HydrophobicContact CB-CG 3.47Å; P364-M399 VanDerWaalsContact CB-CG 3.47Å; P364-M399 HydrophobicContact CB-SD 3.48Å; P364-M399 WeakPolarHBondContact CB-SD 3.32Å; P364-M399 HydrophobicContact CG-CG 3.78Å; P364-M399 HydrophobicContact CG-SD 4.4Å
365L84.6Confident73.3Confident98 Ų98100.9 Ų100.951%0.51350%0.497SS..Hα-helixtrans-72.1-40.3179.8-166.168.5000112Y361 R362 K363 M367 L368 L369Y361-L365 WeakPolarHBondContact O-CB 3.44Å; Y361-L365 PolarHBondContact O-N 2.9Å; R362-L365 PolarHBondContact O-N 2.8Å; K363-L365 VanDerWaalsContact C-N 3.28Å; K363-L365 PolarHBondContact O-N 2.8Å; L365-M367 VanDerWaalsContact C-N 3.28Å; L365-M367 PolarHBondContact O-N 3.22Å; L365-L368 PolarHBondContact O-N 3.07Å; L365-L369 WeakPolarHBondContact O-CG 3.39Å; L365-L369 PolarHBondContact O-N 2.71Å
366E83.8Confident75.1Confident76 Ų7698.4 Ų98.436%0.35548%0.483SS..Hα-helixtrans-59.1-39.1169.2-75.3165.2171.300110.9R362 K363 N370R362-E366 HydrophobicContact CG-CG 4.43Å; R362-E366 WeakPolarHBondContact CG-OE1 3.25Å; R362-E366 IonicContact CZ-OE1 3.2Å; R362-E366 IonicContact NE-OE1 2.72Å; R362-E366 PolarHBondContact NE-OE1 3.46Å; R362-E366 IonicContact NE-OE2 3.97Å; R362-E366 IonicContact NH2-OE1 3.75Å; R362-E366 PolarHBondContact NH2-OE1 2.89Å; R362-E366 WeakPolarHBondContact O-CB 3.33Å; R362-E366 WeakPolarHBondContact O-CG 3.34Å; R362-E366 PolarHBondContact O-N 2.92Å; K363-E366 PolarHBondContact O-N 2.7Å; E366-N370 WeakPolarHBondContact O-CB 3.37Å; E366-N370 PolarHBondContact O-N 2.58Å; E366-N370 PolarHBondContact O-ND2 2.91Å
367M83.6Confident76.4Confident97 Ų97100.8 Ų100.848%0.47849%0.487SS..Hα-helixtrans-67.9-40.2174.5-70.2172.167.600113.1K363 P364 L365 L371 I395K363-M367 VanDerWaalsContact O-CG 3.31Å; K363-M367 WeakPolarHBondContact O-CG 3.35Å; K363-M367 PolarHBondContact O-N 3.35Å; P364-M367 WeakPolarHBondContact O-CB 3.49Å; P364-M367 PolarHBondContact O-N 3Å; L365-M367 VanDerWaalsContact C-N 3.28Å; L365-M367 PolarHBondContact O-N 3.22Å; M367-L371 VanDerWaalsContact O-CB 3.28Å; M367-L371 WeakPolarHBondContact O-CB 3.31Å; M367-L371 PolarHBondContact O-N 3.13Å; M367-I395 HydrophobicContact CB-CD1 3.88Å; M367-I395 HydrophobicContact CB-CG1 4.47Å; M367-I395 HydrophobicContact CE-CD1 4.39Å; M367-I395 HydrophobicContact CE-CG1 4.16Å
368L85.9Confident77.3Confident30 Ų3093.7 Ų93.716%0.15747%0.471CS..Hα-helixtrans-64.1-41.8175.4-80.4162.4000111.7P364 L365 L371 V372 A392 I395 L396 M399P364-L368 WeakPolarHBondContact O-CG 3.31Å; P364-L368 PolarHBondContact O-N 3.14Å; L365-L368 PolarHBondContact O-N 3.07Å; L368-L371 WeakPolarHBondContact O-CB 3.42Å; L368-L371 PolarHBondContact O-N 2.85Å; L368-V372 WeakPolarHBondContact O-CG2 3.39Å; L368-V372 PolarHBondContact O-N 3.16Å; L368-A392 HydrophobicContact CD2-CB 3.96Å; L368-I395 HydrophobicContact CD1-CG2 4.05Å; L368-I395 HydrophobicContact CD2-CB 4.32Å; L368-I395 HydrophobicContact CD2-CD1 4.23Å; L368-I395 HydrophobicContact CD2-CG2 4.44Å; L368-I395 HydrophobicContact CG-CB 4.23Å; L368-I395 HydrophobicContact CG-CD1 4.23Å; L368-I395 HydrophobicContact CG-CG2 3.82Å; L368-L396 HydrophobicContact CD1-CD2 4.06Å; L368-M399 HydrophobicContact CD1-SD 4.38Å
369L85.3Confident77.8Confident99 Ų9995.2 Ų95.252%0.51848%0.481SS..Hα-helixtrans-63.4-50175.8-70.3168.1000111.3L365 L371 V372 D373L365-L369 WeakPolarHBondContact O-CG 3.39Å; L365-L369 PolarHBondContact O-N 2.71Å; L369-L371 PolarHBondContact O-N 3.5Å; L369-V372 WeakPolarHBondContact O-CB 3.46Å; L369-V372 PolarHBondContact O-N 3.09Å; L369-D373 PolarHBondContact O-N 3.14Å
370N84.4Confident78Confident106 Ų106103.4 Ų103.457%0.56750%0.497SS*.Hα-helixtrans-58.3-32.2175.2-68.9-22.5000112.8E366 K374E366-N370 WeakPolarHBondContact O-CB 3.37Å; E366-N370 PolarHBondContact O-N 2.58Å; E366-N370 PolarHBondContact O-ND2 2.91Å; N370-K374 VanDerWaalsContact O-CB 3.29Å; N370-K374 WeakPolarHBondContact O-CB 3.11Å; N370-K374 PolarHBondContact O-N 2.9Å; N370-K374 VanDerWaalsContact O-N 3.11Å
371L85.4Confident78.4Confident10 Ų10102.6 Ų102.65%0.05248%0.48CS..Hα-helixtrans-72.5-37.3176.3-173.771.5000111.8M367 L368 L369 H375 F388 Q391 A392 I395M367-L371 VanDerWaalsContact O-CB 3.28Å; M367-L371 WeakPolarHBondContact O-CB 3.31Å; M367-L371 PolarHBondContact O-N 3.13Å; L368-L371 WeakPolarHBondContact O-CB 3.42Å; L368-L371 PolarHBondContact O-N 2.85Å; L369-L371 PolarHBondContact O-N 3.5Å; L371-H375 PolarHBondContact O-CD2 3.42Å; L371-H375 VanDerWaalsContact O-CD2 3.3Å; L371-H375 PolarHBondContact O-N 3.37Å; L371-F388 HydrophobicContact CB-CE2 4.42Å; L371-F388 HydrophobicContact CD2-CD2 4.01Å; L371-F388 HydrophobicContact CD2-CE2 4.02Å; L371-F388 HydrophobicContact CG-CD2 3.71Å; L371-F388 HydrophobicContact CG-CE2 3.84Å; L371-Q391 HydrophobicContact CD1-CB 3.74Å; L371-Q391 HydrophobicContact CD1-CG 4.29Å; L371-Q391 HydrophobicContact CD2-CB 3.6Å; L371-Q391 HydrophobicContact CG-CB 4.34Å; L371-A392 HydrophobicContact CD2-CB 3.94Å; L371-I395 HydrophobicContact CD2-CD1 4.25Å
372V83.3Confident78.2Confident50 Ų5098.1 Ų98.130%0.30346%0.464SS..Hα-helixtrans-63.5-52172169.60000110L368 L369 K374 H375 W376 L382 F388L368-V372 WeakPolarHBondContact O-CG2 3.39Å; L368-V372 PolarHBondContact O-N 3.16Å; L369-V372 WeakPolarHBondContact O-CB 3.46Å; L369-V372 PolarHBondContact O-N 3.09Å; V372-K374 PolarHBondContact O-N 3.09Å; V372-H375 PolarHBondContact O-N 2.94Å; V372-W376 HydrophobicContact CG1-CB 4.41Å; V372-W376 VanDerWaalsContact O-CB 3.24Å; V372-W376 WeakPolarHBondContact O-CB 3.38Å; V372-W376 PolarHBondContact O-N 3.24Å; V372-L382 HydrophobicContact CG1-CD1 4.25Å; V372-L382 HydrophobicContact CG2-CD1 4.35Å; V372-F388 HydrophobicContact CB-CE2 4.44Å; V372-F388 HydrophobicContact CG2-CE2 3.75Å; V372-F388 HydrophobicContact CG2-CZ 3.8Å
373D82.8Confident77.5Confident120 Ų12099.1 Ų99.164%0.64247%0.474SS*.Hα-helixtrans-58.2-35.5-179.6-66-23.4000112.5L369L369-D373 PolarHBondContact O-N 3.14Å
374K81.9Confident77Confident140 Ų140101.3 Ų101.361%0.60948%0.479SS*.Hα-helixtrans-70.3-32.5177.5-178.7179.1177.5-174.90113.8N370 V372N370-K374 VanDerWaalsContact O-CB 3.29Å; N370-K374 WeakPolarHBondContact O-CB 3.11Å; N370-K374 PolarHBondContact O-N 2.9Å; N370-K374 VanDerWaalsContact O-N 3.11Å; V372-K374 PolarHBondContact O-N 3.09Å
375H76.8Confident76.8Confident45 Ų45102.6 Ų102.621%0.20849%0.485CS..Hα-helixtrans-108.4-13.8-170.9-73.5-70.6000114.1L371 V372 L382 N385 F388L371-H375 PolarHBondContact O-CD2 3.42Å; L371-H375 VanDerWaalsContact O-CD2 3.3Å; L371-H375 PolarHBondContact O-N 3.37Å; V372-H375 PolarHBondContact O-N 2.94Å; H375-L382 HydrophobicContact CB-CD2 3.86Å; H375-L382 WeakPolarHBondContact O-CD2 3.5Å; H375-N385 PolarHBondContact ND1-ND2 2.9Å; H375-N385 VanDerWaalsContact ND1-ND2 3.1Å; H375-F388 HydrophobicContact CB-CB 4.28Å; H375-F388 HydrophobicContact CB-CD2 3.89Å; H375-F388 HydrophobicContact CB-CG 4.42Å; H375-F388 AromaticContact CD2-CD2 3.99Å
376W76.8Confident76.5Confident131 Ų131104.1 Ų104.150%0.49649%0.494SS..  trans-94.4113.7177.9-172-112.5000111.7V372 R380 L382V372-W376 HydrophobicContact CG1-CB 4.41Å; V372-W376 VanDerWaalsContact O-CB 3.24Å; V372-W376 WeakPolarHBondContact O-CB 3.38Å; V372-W376 PolarHBondContact O-N 3.24Å; W376-R380 WeakPolarHBondContact CZ3-O 3.3Å; W376-L382 HydrophobicContact CB-CD1 4.49Å; W376-L382 HydrophobicContact CB-CD2 4.17Å; W376-L382 HydrophobicContact CE3-CD1 4.1Å; W376-L382 HydrophobicContact CE3-CD2 3.88Å; W376-L382 HydrophobicContact CE3-CG 3.57Å; W376-L382 HydrophobicContact CZ3-CG 4.06Å
377R69.8Low76.3Confident229 Ų229103 Ų10386%0.86449%0.494SS*.  trans-114.125.3173.2-53.2-168.4-147.7-150.17.3113.1E379R377-E379 VanDerWaalsContact C-N 3.31Å; R377-E379 PolarHBondContact O-N 2.94Å
378G66.6Low76.4Confident53 Ų5399.5 Ų99.555%0.54648%0.477SS..SBendtrans81.3-23.6174.200000117.4
379E58.9Low76.2Confident183 Ų183101 Ų10186%0.85548%0.484SS*.SBendtrans-106.7-11.8-168.5-66-175.5156.300116.8R377R377-E379 VanDerWaalsContact C-N 3.31Å; R377-E379 PolarHBondContact O-N 2.94Å
380R62Low76.2Confident219 Ų21999.6 Ų99.683%0.82648%0.483SS*.SBendtrans-143.2142.9-177.7-64.8-172.6-174.9-178.31.8113.1W376 L382W376-R380 WeakPolarHBondContact CZ3-O 3.3Å; R380-L382 PolarHBondContact O-N 3.11Å
381S73.5Confident76.2Confident52 Ų5297.8 Ų97.836%0.36447%0.471SS..  trans-59.3129.2177.8174.30000113H383 Y384S381-H383 PolarHBondContact O-N 3.48Å; S381-H383 PolarHBondContact OG-CD2 3.18Å; S381-H383 PolarHBondContact OG-N 3.02Å; S381-Y384 PolarHBondContact O-N 3.43Å
382L70.3Confident76.3Confident23 Ų2397.9 Ų97.912%0.1247%0.473CS..G310 helixtrans-62-22.3176.7-65.1175.4000113.3V372 H375 W376 R380 Y384 N385 F388V372-L382 HydrophobicContact CG1-CD1 4.25Å; V372-L382 HydrophobicContact CG2-CD1 4.35Å; H375-L382 HydrophobicContact CB-CD2 3.86Å; H375-L382 WeakPolarHBondContact O-CD2 3.5Å; W376-L382 HydrophobicContact CB-CD1 4.49Å; W376-L382 HydrophobicContact CB-CD2 4.17Å; W376-L382 HydrophobicContact CE3-CD1 4.1Å; W376-L382 HydrophobicContact CE3-CD2 3.88Å; W376-L382 HydrophobicContact CE3-CG 3.57Å; W376-L382 HydrophobicContact CZ3-CG 4.06Å; R380-L382 PolarHBondContact O-N 3.11Å; L382-Y384 PolarHBondContact O-N 3.09Å; L382-N385 WeakPolarHBondContact O-CB 3.35Å; L382-N385 PolarHBondContact O-N 3.28Å; L382-F388 HydrophobicContact CB-CD1 3.88Å; L382-F388 HydrophobicContact CB-CE1 3.91Å; L382-F388 HydrophobicContact CB-CG 4.4Å; L382-F388 HydrophobicContact CB-CZ 4.47Å; L382-F388 HydrophobicContact CD1-CE1 4.07Å; L382-F388 HydrophobicContact CD1-CE2 4.01Å; L382-F388 HydrophobicContact CD1-CZ 3.77Å; L382-F388 HydrophobicContact CD2-CD2 4.48Å
383H67.5Low76.5Confident144 Ų14499.7 Ų99.767%0.66748%0.484SS*.G310 helixtrans-64.8-18.2-177.4-64.8-73.6000113.8S381 L389S381-H383 PolarHBondContact O-N 3.48Å; S381-H383 PolarHBondContact OG-CD2 3.18Å; S381-H383 PolarHBondContact OG-N 3.02Å; H383-L389 WeakPolarHBondContact O-CD1 3.45Å
384Y70.1Confident76.7Confident203 Ų203100 Ų10080%0.79648%0.482SS*.G310 helixtrans-88.8-4.6174.1-60.5-75.8000113.6S381 L382 N386S381-Y384 PolarHBondContact O-N 3.43Å; L382-Y384 PolarHBondContact O-N 3.09Å; Y384-N386 PolarHBondContact O-N 3.38Å
385N79.8Confident76.9Confident47 Ų4794 Ų9425%0.25146%0.456SS..  trans-96.794.8-178.5-176.2-3.7000111.2H375 L382 S387 F388 L389H375-N385 PolarHBondContact ND1-ND2 2.9Å; H375-N385 VanDerWaalsContact ND1-ND2 3.1Å; L382-N385 WeakPolarHBondContact O-CB 3.35Å; L382-N385 PolarHBondContact O-N 3.28Å; N385-S387 PolarHBondContact O-N 3.36Å; N385-S387 VanDerWaalsContact O-N 3.13Å; N385-S387 WeakPolarHBondContact OD1-CB 3.42Å; N385-S387 PolarHBondContact OD1-N 2.85Å; N385-S387 PolarHBondContact OD1-OG 3.21Å; N385-F388 HydrophobicContact CB-CB 3.99Å; N385-F388 WeakPolarHBondContact O-CB 3.34Å; N385-F388 PolarHBondContact O-N 3.13Å; N385-F388 PolarHBondContact OD1-N 3.08Å; N385-L389 PolarHBondContact O-N 2.86Å
386N78.8Confident77.4Confident129 Ų12996 Ų9669%0.6947%0.468SS*.Hα-helixtrans-56.8-27.2177.2-72.4-36.7000113.9Y384 S390Y384-N386 PolarHBondContact O-N 3.38Å; N386-S390 WeakPolarHBondContact O-CB 3.35Å; N386-S390 PolarHBondContact O-N 3.12Å; N386-S390 VanDerWaalsContact O-N 3.09Å; N386-S390 PolarHBondContact O-OG 3.1Å
387S78.8Confident77.9Confident53 Ų5392.5 Ų92.537%0.37146%0.463SS..Hα-helixtrans-73.6-33.3175.374.30000112.4N385 S390 Q391N385-S387 PolarHBondContact O-N 3.36Å; N385-S387 VanDerWaalsContact O-N 3.13Å; N385-S387 WeakPolarHBondContact OD1-CB 3.42Å; N385-S387 PolarHBondContact OD1-N 2.85Å; N385-S387 PolarHBondContact OD1-OG 3.21Å; S387-S390 PolarHBondContact O-OG 3.34Å; S387-Q391 WeakPolarHBondContact O-CG 3.18Å; S387-Q391 PolarHBondContact O-N 2.9Å; S387-Q391 PolarHBondContact O-NE2 2.85Å
388F85.3Confident78.5Confident24 Ų2486.1 Ų86.111%0.10544%0.444CS..Hα-helixtrans-71.2-48.8173.3171.7-93.5000110.6L371 V372 H375 L382 N385 S390 Q391 A392L371-F388 HydrophobicContact CB-CE2 4.42Å; L371-F388 HydrophobicContact CD2-CD2 4.01Å; L371-F388 HydrophobicContact CD2-CE2 4.02Å; L371-F388 HydrophobicContact CG-CD2 3.71Å; L371-F388 HydrophobicContact CG-CE2 3.84Å; V372-F388 HydrophobicContact CB-CE2 4.44Å; V372-F388 HydrophobicContact CG2-CE2 3.75Å; V372-F388 HydrophobicContact CG2-CZ 3.8Å; H375-F388 HydrophobicContact CB-CB 4.28Å; H375-F388 HydrophobicContact CB-CD2 3.89Å; H375-F388 HydrophobicContact CB-CG 4.42Å; H375-F388 AromaticContact CD2-CD2 3.99Å; L382-F388 HydrophobicContact CB-CD1 3.88Å; L382-F388 HydrophobicContact CB-CE1 3.91Å; L382-F388 HydrophobicContact CB-CG 4.4Å; L382-F388 HydrophobicContact CB-CZ 4.47Å; L382-F388 HydrophobicContact CD1-CE1 4.07Å; L382-F388 HydrophobicContact CD1-CE2 4.01Å; L382-F388 HydrophobicContact CD1-CZ 3.77Å; L382-F388 HydrophobicContact CD2-CD2 4.48Å; N385-F388 HydrophobicContact CB-CB 3.99Å; N385-F388 WeakPolarHBondContact O-CB 3.34Å; N385-F388 PolarHBondContact O-N 3.13Å; N385-F388 PolarHBondContact OD1-N 3.08Å; F388-S390 PolarHBondContact O-N 3.42Å; F388-Q391 PolarHBondContact O-N 2.86Å; F388-A392 HydrophobicContact CE1-CB 4.45Å; F388-A392 WeakPolarHBondContact O-CB 3.21Å; F388-A392 PolarHBondContact O-N 2.88Å
389L82.4Confident79.3Confident60 Ų6085.2 Ų85.231%0.31443%0.427SS..Hα-helixtrans-60.8-44.5-178.6-69.8178.1000112.7H383 N385 A392 V393H383-L389 WeakPolarHBondContact O-CD1 3.45Å; N385-L389 PolarHBondContact O-N 2.86Å; L389-A392 PolarHBondContact O-N 2.87Å; L389-V393 WeakPolarHBondContact O-CB 3.47Å; L389-V393 VanDerWaalsContact O-CG2 3.28Å; L389-V393 WeakPolarHBondContact O-CG2 3.4Å; L389-V393 PolarHBondContact O-N 2.65Å
390S84.1Confident80.7Confident71 Ų7182.5 Ų82.550%0.49741%0.414SS..Hα-helixtrans-63.2-44.3178.648.20000112.7N386 S387 F388 Q394N386-S390 WeakPolarHBondContact O-CB 3.35Å; N386-S390 PolarHBondContact O-N 3.12Å; N386-S390 VanDerWaalsContact O-N 3.09Å; N386-S390 PolarHBondContact O-OG 3.1Å; S387-S390 PolarHBondContact O-OG 3.34Å; F388-S390 PolarHBondContact O-N 3.42Å; S390-Q394 WeakPolarHBondContact O-CB 3.27Å; S390-Q394 PolarHBondContact O-N 3.47Å
391Q86.1Confident81.8Confident68 Ų6875.2 Ų75.232%0.31840%0.397SS..Hα-helixtrans-65.7-39.4174.7-75171.188.700112.2L371 S387 F388 Q394 I395L371-Q391 HydrophobicContact CD1-CB 3.74Å; L371-Q391 HydrophobicContact CD1-CG 4.29Å; L371-Q391 HydrophobicContact CD2-CB 3.6Å; L371-Q391 HydrophobicContact CG-CB 4.34Å; S387-Q391 WeakPolarHBondContact O-CG 3.18Å; S387-Q391 PolarHBondContact O-N 2.9Å; S387-Q391 PolarHBondContact O-NE2 2.85Å; F388-Q391 PolarHBondContact O-N 2.86Å; Q391-Q394 PolarHBondContact O-N 2.99Å; Q391-I395 WeakPolarHBondContact O-CD1 3.46Å; Q391-I395 VanDerWaalsContact O-CG1 3.3Å; Q391-I395 WeakPolarHBondContact O-CG1 3.29Å; Q391-I395 PolarHBondContact O-N 3.39Å; Q391-I395 VanDerWaalsContact O-N 3.11Å
392A87Confident82.3Confident12 Ų1277.9 Ų77.910%0.09941%0.407CS..Hα-helixtrans-66.6-44.9178.100000112L368 L371 F388 L389 Q394 I395 L396L368-A392 HydrophobicContact CD2-CB 3.96Å; L371-A392 HydrophobicContact CD2-CB 3.94Å; F388-A392 HydrophobicContact CE1-CB 4.45Å; F388-A392 WeakPolarHBondContact O-CB 3.21Å; F388-A392 PolarHBondContact O-N 2.88Å; L389-A392 PolarHBondContact O-N 2.87Å; A392-Q394 VanDerWaalsContact C-N 3.34Å; A392-Q394 PolarHBondContact O-N 2.61Å; A392-I395 PolarHBondContact O-N 3.43Å; A392-L396 WeakPolarHBondContact O-CG 3.46Å; A392-L396 PolarHBondContact O-N 2.69Å
393V87.1Confident83Confident87 Ų8779.5 Ų79.553%0.52742%0.415SS..Hα-helixtrans-60.4-44.1174.3169.70000110.5L389 I395 L396 S397L389-V393 WeakPolarHBondContact O-CB 3.47Å; L389-V393 VanDerWaalsContact O-CG2 3.28Å; L389-V393 WeakPolarHBondContact O-CG2 3.4Å; L389-V393 PolarHBondContact O-N 2.65Å; V393-I395 VanDerWaalsContact C-N 3.32Å; V393-I395 PolarHBondContact O-N 3.08Å; V393-L396 PolarHBondContact O-N 2.9Å; V393-L396 VanDerWaalsContact O-N 3.14Å; V393-S397 PolarHBondContact O-N 3.02Å; V393-S397 PolarHBondContact O-OG 2.78Å
394Q87.9Confident83.9Confident127 Ų12775.4 Ų75.459%0.59340%0.402SS*.Hα-helixtrans-57.5-43176.8-173.1177.710.700112.4S390 Q391 A392 M398S390-Q394 WeakPolarHBondContact O-CB 3.27Å; S390-Q394 PolarHBondContact O-N 3.47Å; Q391-Q394 PolarHBondContact O-N 2.99Å; A392-Q394 VanDerWaalsContact C-N 3.34Å; A392-Q394 PolarHBondContact O-N 2.61Å; Q394-M398 WeakPolarHBondContact O-CG 3.47Å; Q394-M398 PolarHBondContact O-N 3.3Å
395I86Confident84.7Confident14 Ų1469.5 Ų69.57%0.07239%0.391CS..Hα-helixtrans-67.4-38.3177.6-62.2160.2000111.4P364 M367 L368 L371 Q391 A392 V393 M398 M399P364-I395 HydrophobicContact CB-CG2 3.7Å; P364-I395 WeakPolarHBondContact O-CG2 3.43Å; M367-I395 HydrophobicContact CB-CD1 3.88Å; M367-I395 HydrophobicContact CB-CG1 4.47Å; M367-I395 HydrophobicContact CE-CD1 4.39Å; M367-I395 HydrophobicContact CE-CG1 4.16Å; L368-I395 HydrophobicContact CD1-CG2 4.05Å; L368-I395 HydrophobicContact CD2-CB 4.32Å; L368-I395 HydrophobicContact CD2-CD1 4.23Å; L368-I395 HydrophobicContact CD2-CG2 4.44Å; L368-I395 HydrophobicContact CG-CB 4.23Å; L368-I395 HydrophobicContact CG-CD1 4.23Å; L368-I395 HydrophobicContact CG-CG2 3.82Å; L371-I395 HydrophobicContact CD2-CD1 4.25Å; Q391-I395 WeakPolarHBondContact O-CD1 3.46Å; Q391-I395 VanDerWaalsContact O-CG1 3.3Å; Q391-I395 WeakPolarHBondContact O-CG1 3.29Å; Q391-I395 PolarHBondContact O-N 3.39Å; Q391-I395 VanDerWaalsContact O-N 3.11Å; A392-I395 PolarHBondContact O-N 3.43Å; V393-I395 VanDerWaalsContact C-N 3.32Å; V393-I395 PolarHBondContact O-N 3.08Å; I395-M398 WeakPolarHBondContact O-CB 3.32Å; I395-M398 PolarHBondContact O-N 3.42Å; I395-M399 WeakPolarHBondContact O-CG 3.35Å; I395-M399 PolarHBondContact O-N 3.26Å; I395-M399 VanDerWaalsContact O-N 3.11Å
396L87.3Confident85.1Confident87 Ų8775.7 Ų75.746%0.45541%0.411SS..Hα-helixtrans-68.7-41.7176.9-69171.1000112.2L368 A392 V393 M398 M399 E400L368-L396 HydrophobicContact CD1-CD2 4.06Å; A392-L396 WeakPolarHBondContact O-CG 3.46Å; A392-L396 PolarHBondContact O-N 2.69Å; V393-L396 PolarHBondContact O-N 2.9Å; V393-L396 VanDerWaalsContact O-N 3.14Å; L396-M398 VanDerWaalsContact C-N 3.28Å; L396-M398 PolarHBondContact O-N 3.4Å; L396-M399 HydrophobicContact CD2-CE 4.42Å; L396-M399 HydrophobicContact CD2-SD 4.07Å; L396-M399 WeakPolarHBondContact O-CA 3.45Å; L396-M399 WeakPolarHBondContact O-CB 3.35Å; L396-M399 PolarHBondContact O-N 2.84Å; L396-E400 PolarHBondContact O-N 3.21Å
397S85.6Confident85.5Confident57 Ų5774.5 Ų74.540%0.39940%0.401SS..Hα-helixtrans-64.1-31.8173-59.60000112.5V393 M399 S401V393-S397 PolarHBondContact O-N 3.02Å; V393-S397 PolarHBondContact O-OG 2.78Å; S397-M399 VanDerWaalsContact C-N 3.32Å; S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.12Å; S397-S401 PolarHBondContact O-OG 3.18Å
398M83.2Confident86.1Confident95 Ų9573.8 Ų73.847%0.46840%0.398SS..Hα-helixtrans-65.4-33168.5-73.6177.668.300112.3Q394 I395 L396 S401 N402Q394-M398 WeakPolarHBondContact O-CG 3.47Å; Q394-M398 PolarHBondContact O-N 3.3Å; I395-M398 WeakPolarHBondContact O-CB 3.32Å; I395-M398 PolarHBondContact O-N 3.42Å; L396-M398 VanDerWaalsContact C-N 3.28Å; L396-M398 PolarHBondContact O-N 3.4Å; M398-S401 WeakPolarHBondContact CA-OG 3.42Å; M398-S401 PolarHBondContact O-OG 2.85Å; M398-N402 PolarHBondContact O-N 2.91Å; M398-N402 PolarHBondContact O-ND2 3.29Å
399M84.6Confident86.5Confident35 Ų3577.9 Ų77.917%0.17242%0.418CS..Hα-helixtrans-72-45.4173.8-68165.85400111.6Y361 P364 L368 I395 L396 S397 N402 I403Y361-M399 HydrophobicContact CD1-CB 4.29Å; Y361-M399 HydrophobicContact CD1-CE 3.64Å; Y361-M399 HydrophobicContact CD1-CG 4.09Å; Y361-M399 HydrophobicContact CE1-CB 4.36Å; Y361-M399 HydrophobicContact CE1-CE 4.27Å; Y361-M399 HydrophobicContact CG-CE 4.26Å; P364-M399 HydrophobicContact CB-CG 3.47Å; P364-M399 VanDerWaalsContact CB-CG 3.47Å; P364-M399 HydrophobicContact CB-SD 3.48Å; P364-M399 WeakPolarHBondContact CB-SD 3.32Å; P364-M399 HydrophobicContact CG-CG 3.78Å; P364-M399 HydrophobicContact CG-SD 4.4Å; L368-M399 HydrophobicContact CD1-SD 4.38Å; I395-M399 WeakPolarHBondContact O-CG 3.35Å; I395-M399 PolarHBondContact O-N 3.26Å; I395-M399 VanDerWaalsContact O-N 3.11Å; L396-M399 HydrophobicContact CD2-CE 4.42Å; L396-M399 HydrophobicContact CD2-SD 4.07Å; L396-M399 WeakPolarHBondContact O-CA 3.45Å; L396-M399 WeakPolarHBondContact O-CB 3.35Å; L396-M399 PolarHBondContact O-N 2.84Å; S397-M399 VanDerWaalsContact C-N 3.32Å; M399-N402 PolarHBondContact O-N 3.47Å; M399-I403 WeakPolarHBondContact O-CG1 3.34Å; M399-I403 PolarHBondContact O-N 3.39Å
400E87.2Confident87Confident125 Ų12578 Ų7858%0.58442%0.42SS*.Hα-helixtrans-62.4-42.6-179.2-174.5175.7-160.700113.1L396 I403 S404L396-E400 PolarHBondContact O-N 3.21Å; E400-I403 WeakPolarHBondContact O-CB 3.27Å; E400-I403 PolarHBondContact O-N 3.37Å; E400-S404 WeakPolarHBondContact O-CB 3.47Å; E400-S404 PolarHBondContact O-N 3.22Å; E400-S404 PolarHBondContact O-OG 3.08Å
401S85.3Confident87.5Confident67 Ų6781 Ų8147%0.46942%0.421SS..Hα-helixtrans-64.2-38.2174.450.20000112.9S397 M398 S404 S405S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.12Å; S397-S401 PolarHBondContact O-OG 3.18Å; M398-S401 WeakPolarHBondContact CA-OG 3.42Å; M398-S401 PolarHBondContact O-OG 2.85Å; S401-S404 PolarHBondContact O-N 2.94Å; S401-S405 VanDerWaalsContact O-CB 3.3Å; S401-S405 WeakPolarHBondContact O-CB 3.43Å; S401-S405 PolarHBondContact O-N 3.47Å
402N83.7Confident88Confident107 Ų10781 Ų8157%0.57243%0.425SS*.Hα-helixtrans-66.6-36.6173.6-84.2-68.6000112.7M398 M399 R406M398-N402 PolarHBondContact O-N 2.91Å; M398-N402 PolarHBondContact O-ND2 3.29Å; M399-N402 PolarHBondContact O-N 3.47Å; N402-R406 WeakPolarHBondContact O-CB 3.41Å; N402-R406 PolarHBondContact O-N 3.21Å; N402-R406 VanDerWaalsContact O-N 3.17Å
403I84.5Confident88.4Confident58 Ų5884.7 Ų84.730%0.29744%0.443SS..Hα-helixtrans-62.8-53.8172.1-67.8163.9000109.5Y361 M399 E400 S405 R406 E407Y361-I403 HydrophobicContact CE1-CD1 4.01Å; Y361-I403 HydrophobicContact CE1-CG1 4.05Å; Y361-I403 WeakPolarHBondContact OH-CD1 3.48Å; Y361-I403 WeakPolarHBondContact OH-CG1 3.28Å; M399-I403 WeakPolarHBondContact O-CG1 3.34Å; M399-I403 PolarHBondContact O-N 3.39Å; E400-I403 WeakPolarHBondContact O-CB 3.27Å; E400-I403 PolarHBondContact O-N 3.37Å; I403-S405 VanDerWaalsContact C-N 3.3Å; I403-S405 PolarHBondContact O-N 3.01Å; I403-R406 PolarHBondContact O-N 3.12Å; I403-E407 HydrophobicContact CG2-CG 4.23Å; I403-E407 WeakPolarHBondContact CG2-OE1 3.29Å; I403-E407 WeakPolarHBondContact O-CG 3.37Å; I403-E407 PolarHBondContact O-N 3.18Å
404S86.6Confident88.9Confident57 Ų5788.6 Ų88.640%0.39945%0.449SS..Hα-helixtrans-59.1-40-176.4-57.70000112.5E400 S401 A408E400-S404 WeakPolarHBondContact O-CB 3.47Å; E400-S404 PolarHBondContact O-N 3.22Å; E400-S404 PolarHBondContact O-OG 3.08Å; S401-S404 PolarHBondContact O-N 2.94Å; S404-A408 WeakPolarHBondContact O-CB 3.28Å; S404-A408 PolarHBondContact O-N 3.36Å
405S87.8Confident89.3Confident79 Ų7988.9 Ų88.955%0.55245%0.45SS*.Hα-helixtrans-62.9-47.1173.7176.30000111.9S401 I403 A408 E409S401-S405 VanDerWaalsContact O-CB 3.3Å; S401-S405 WeakPolarHBondContact O-CB 3.43Å; S401-S405 PolarHBondContact O-N 3.47Å; I403-S405 VanDerWaalsContact C-N 3.3Å; I403-S405 PolarHBondContact O-N 3.01Å; S405-A408 WeakPolarHBondContact O-CB 3.45Å; S405-A408 PolarHBondContact O-N 3.4Å; S405-E409 PolarHBondContact O-N 2.71Å
406R87.1Confident89.8Confident178 Ų17892.4 Ų92.467%0.67247%0.469SS*.Hα-helixtrans-69.6-33.4179.2-169.7174.6-178.2-171.7-3.3112.8N402 I403 A408 E409 V410N402-R406 WeakPolarHBondContact O-CB 3.41Å; N402-R406 PolarHBondContact O-N 3.21Å; N402-R406 VanDerWaalsContact O-N 3.17Å; I403-R406 PolarHBondContact O-N 3.12Å; R406-A408 VanDerWaalsContact C-N 3.34Å; R406-E409 PolarHBondContact O-N 3.21Å; R406-V410 WeakPolarHBondContact O-CB 3.42Å; R406-V410 VanDerWaalsContact O-CG2 3.31Å; R406-V410 WeakPolarHBondContact O-CG2 3.41Å; R406-V410 PolarHBondContact O-N 3.28Å
407E88.6Confident90.2Very high104 Ų10491.5 Ų91.549%0.48647%0.467SS..Hα-helixtrans-68.1-35172.2-73.4-178.3178.400112.2I403 V410 R411I403-E407 HydrophobicContact CG2-CG 4.23Å; I403-E407 WeakPolarHBondContact CG2-OE1 3.29Å; I403-E407 WeakPolarHBondContact O-CG 3.37Å; I403-E407 PolarHBondContact O-N 3.18Å; E407-V410 PolarHBondContact O-N 2.74Å; E407-R411 WeakPolarHBondContact O-CB 3.38Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 3.4Å; E407-R411 PolarHBondContact O-NE 2.9Å
408A90.4Very high90.7Very high37 Ų3792.4 Ų92.431%0.30647%0.467SS..Hα-helixtrans-64.5-46.1171.700000111.3S404 S405 R406 V410 R411 T412S404-A408 WeakPolarHBondContact O-CB 3.28Å; S404-A408 PolarHBondContact O-N 3.36Å; S405-A408 WeakPolarHBondContact O-CB 3.45Å; S405-A408 PolarHBondContact O-N 3.4Å; R406-A408 VanDerWaalsContact C-N 3.34Å; A408-V410 VanDerWaalsContact C-N 3.35Å; A408-V410 PolarHBondContact O-N 2.98Å; A408-R411 WeakPolarHBondContact O-CB 3.49Å; A408-R411 PolarHBondContact O-N 2.73Å; A408-R411 VanDerWaalsContact O-N 3.1Å; A408-T412 PolarHBondContact O-N 2.97Å; A408-T412 PolarHBondContact O-OG1 2.79Å
409E93.3Very high91.4Very high111 Ų11190.9 Ų90.952%0.51947%0.469SS..Hα-helixtrans-57.8-43.7173.3-175.6-173.5-161.100111.9S405 R406 R411 T412 L413S405-E409 PolarHBondContact O-N 2.71Å; R406-E409 PolarHBondContact O-N 3.21Å; E409-R411 VanDerWaalsContact C-N 3.33Å; E409-R411 PolarHBondContact O-N 3.21Å; E409-T412 PolarHBondContact O-N 2.8Å; E409-T412 PolarHBondContact O-OG1 2.83Å; E409-L413 HydrophobicContact CG-CD1 4.06Å; E409-L413 WeakPolarHBondContact O-CB 3.48Å; E409-L413 VanDerWaalsContact O-CG 3.24Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.96Å
410V94.3Very high92Very high61 Ų6194.4 Ų94.437%0.3749%0.489SS..Hα-helixtrans-66.2-34.3175.4168.70000111.9R406 E407 A408 R414R406-V410 WeakPolarHBondContact O-CB 3.42Å; R406-V410 VanDerWaalsContact O-CG2 3.31Å; R406-V410 WeakPolarHBondContact O-CG2 3.41Å; R406-V410 PolarHBondContact O-N 3.28Å; E407-V410 PolarHBondContact O-N 2.74Å; A408-V410 VanDerWaalsContact C-N 3.35Å; A408-V410 PolarHBondContact O-N 2.98Å; V410-R414 WeakPolarHBondContact O-CB 3.33Å; V410-R414 WeakPolarHBondContact O-CD 3.23Å; V410-R414 WeakPolarHBondContact O-CG 3.48Å; V410-R414 PolarHBondContact O-N 3.17Å; V410-R414 VanDerWaalsContact O-N 3.09Å
411R94.4Very high92.4Very high134 Ų13496.5 Ų96.551%0.50649%0.491SS..Hα-helixtrans-68.1-44.8175.6-81.6178.9-88.9116.8-7.5111.9E407 A408 E409 R414 Q415E407-R411 WeakPolarHBondContact O-CB 3.38Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 3.4Å; E407-R411 PolarHBondContact O-NE 2.9Å; A408-R411 WeakPolarHBondContact O-CB 3.49Å; A408-R411 PolarHBondContact O-N 2.73Å; A408-R411 VanDerWaalsContact O-N 3.1Å; E409-R411 VanDerWaalsContact C-N 3.33Å; E409-R411 PolarHBondContact O-N 3.21Å; R411-R414 PolarHBondContact O-N 2.92Å; R411-Q415 WeakPolarHBondContact O-CG 3.39Å; R411-Q415 PolarHBondContact O-N 3.08Å; R411-Q415 VanDerWaalsContact O-N 3.16Å
412T95.9Very high93Very high68 Ų68100.2 Ų100.242%0.41750%0.499SS..Hα-helixtrans-65.4-46.6176.3550000111.2A408 E409 R414 Q415 D416A408-T412 PolarHBondContact O-N 2.97Å; A408-T412 PolarHBondContact O-OG1 2.79Å; E409-T412 PolarHBondContact O-N 2.8Å; E409-T412 PolarHBondContact O-OG1 2.83Å; T412-R414 VanDerWaalsContact C-N 3.25Å; T412-R414 PolarHBondContact O-N 3.36Å; T412-Q415 WeakPolarHBondContact O-CA 3.45Å; T412-Q415 WeakPolarHBondContact O-CB 3.46Å; T412-Q415 PolarHBondContact O-N 2.92Å; T412-D416 PolarHBondContact O-N 3.12Å
413L96.4Very high93.6Very high91 Ų9199.8 Ų99.848%0.47649%0.493SS..Hα-helixtrans-59.8-33.6177.3-71.9171.7000112.9E409 V417E409-L413 HydrophobicContact CG-CD1 4.06Å; E409-L413 WeakPolarHBondContact O-CB 3.48Å; E409-L413 VanDerWaalsContact O-CG 3.24Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.96Å; L413-V417 WeakPolarHBondContact O-CB 3.38Å; L413-V417 VanDerWaalsContact O-CG2 3.25Å; L413-V417 WeakPolarHBondContact O-CG2 3.37Å; L413-V417 PolarHBondContact O-N 3.24Å
414R96.4Very high94.1Very high169 Ų16999.7 Ų99.764%0.63850%0.501SS*.Hα-helixtrans-67.4-38.6172.8-77.2167.8-178.1-110.14.1112.2V410 R411 T412 N418V410-R414 WeakPolarHBondContact O-CB 3.33Å; V410-R414 WeakPolarHBondContact O-CD 3.23Å; V410-R414 WeakPolarHBondContact O-CG 3.48Å; V410-R414 PolarHBondContact O-N 3.17Å; V410-R414 VanDerWaalsContact O-N 3.09Å; R411-R414 PolarHBondContact O-N 2.92Å; T412-R414 VanDerWaalsContact C-N 3.25Å; T412-R414 PolarHBondContact O-N 3.36Å; R414-N418 WeakPolarHBondContact O-CB 3.44Å; R414-N418 PolarHBondContact O-N 3.15Å; R414-N418 VanDerWaalsContact O-N 3.08Å; R414-N418 PolarHBondContact O-ND2 3.45Å
415Q96.6Very high94.6Very high133 Ų133101.4 Ų101.462%0.62151%0.506SS*.Hα-helixtrans-65.2-45.4174.5-69.4170.1-23.900110.7R411 T412 N418 A419R411-Q415 WeakPolarHBondContact O-CG 3.39Å; R411-Q415 PolarHBondContact O-N 3.08Å; R411-Q415 VanDerWaalsContact O-N 3.16Å; T412-Q415 WeakPolarHBondContact O-CA 3.45Å; T412-Q415 WeakPolarHBondContact O-CB 3.46Å; T412-Q415 PolarHBondContact O-N 2.92Å; Q415-N418 PolarHBondContact O-N 2.95Å; Q415-A419 PolarHBondContact O-N 2.87Å
416D96.3Very high95Very high88 Ų88100.6 Ų100.647%0.47150%0.5SS..Hα-helixtrans-61.1-46.5177.3-63.4-29.5000112T412 N418 A419 L420T412-D416 PolarHBondContact O-N 3.12Å; D416-N418 VanDerWaalsContact C-N 3.29Å; D416-N418 PolarHBondContact O-N 2.92Å; D416-A419 PolarHBondContact O-N 2.99Å; D416-L420 WeakPolarHBondContact O-CB 3.49Å; D416-L420 VanDerWaalsContact O-CG 3.31Å; D416-L420 WeakPolarHBondContact O-CG 3.45Å; D416-L420 PolarHBondContact O-N 3.31Å
417V96.4Very high95.4Very high67 Ų6798.1 Ų98.141%0.40649%0.491SS..Hα-helixtrans-60.7-38.9176166.60000111.5L413 R421L413-V417 WeakPolarHBondContact O-CB 3.38Å; L413-V417 VanDerWaalsContact O-CG2 3.25Å; L413-V417 WeakPolarHBondContact O-CG2 3.37Å; L413-V417 PolarHBondContact O-N 3.24Å; V417-R421 WeakPolarHBondContact O-CB 3.33Å; V417-R421 VanDerWaalsContact O-CG 3.23Å; V417-R421 WeakPolarHBondContact O-CG 3.45Å; V417-R421 PolarHBondContact O-N 3.34Å
418N96.4Very high95.7Very high77 Ų7799.2 Ų99.241%0.41250%0.496SS..Hα-helixtrans-68.9-43.3176.2-72.4-18.2000111.7R414 Q415 D416 L420 R421 F422R414-N418 WeakPolarHBondContact O-CB 3.44Å; R414-N418 PolarHBondContact O-N 3.15Å; R414-N418 VanDerWaalsContact O-N 3.08Å; R414-N418 PolarHBondContact O-ND2 3.45Å; Q415-N418 PolarHBondContact O-N 2.95Å; D416-N418 VanDerWaalsContact C-N 3.29Å; D416-N418 PolarHBondContact O-N 2.92Å; N418-L420 PolarHBondContact O-N 3.47Å; N418-R421 WeakPolarHBondContact O-CB 3.29Å; N418-R421 PolarHBondContact O-N 3.33Å; N418-F422 WeakPolarHBondContact O-CD2 3.31Å; N418-F422 PolarHBondContact O-N 3.06Å
419A97.1Very high96Very high62 Ų62101.4 Ų101.451%0.51250%0.503SS..Hα-helixtrans-61.1-43.317600000112.1Q415 D416 R421 F422 Q423Q415-A419 PolarHBondContact O-N 2.87Å; D416-A419 PolarHBondContact O-N 2.99Å; A419-R421 VanDerWaalsContact C-N 3.35Å; A419-R421 PolarHBondContact O-N 3.36Å; A419-F422 PolarHBondContact O-N 3.45Å; A419-Q423 PolarHBondContact O-N 2.96Å
420L96.6Very high96.2Very high110 Ų110101.5 Ų101.558%0.57650%0.503SS*.Hα-helixtrans-63.7-37.4174.5-71.6171.3000112.3D416 N418 Q423 A424D416-L420 WeakPolarHBondContact O-CB 3.49Å; D416-L420 VanDerWaalsContact O-CG 3.31Å; D416-L420 WeakPolarHBondContact O-CG 3.45Å; D416-L420 PolarHBondContact O-N 3.31Å; N418-L420 PolarHBondContact O-N 3.47Å; L420-Q423 PolarHBondContact O-N 3.23Å; L420-A424 WeakPolarHBondContact O-CB 3.29Å; L420-A424 PolarHBondContact O-N 3.3Å
421R97.3Very high96.3Very high169 Ų169103.6 Ų103.664%0.63851%0.508SS*.Hα-helixtrans-64.3-44.5173.5-78.2168.1172-173.6-5.7112.2V417 N418 A419 A424 L425V417-R421 WeakPolarHBondContact O-CB 3.33Å; V417-R421 VanDerWaalsContact O-CG 3.23Å; V417-R421 WeakPolarHBondContact O-CG 3.45Å; V417-R421 PolarHBondContact O-N 3.34Å; N418-R421 WeakPolarHBondContact O-CB 3.29Å; N418-R421 PolarHBondContact O-N 3.33Å; A419-R421 VanDerWaalsContact C-N 3.35Å; A419-R421 PolarHBondContact O-N 3.36Å; R421-A424 PolarHBondContact O-N 2.96Å; R421-L425 WeakPolarHBondContact O-CB 3.35Å; R421-L425 PolarHBondContact O-N 2.92Å
422F96.9Very high96.4Very high145 Ų145105.4 Ų105.464%0.63652%0.515SS*.Hα-helixtrans-61.3-44.8174.3-79.4-67.8000111.5N418 A419 A424 L425 S426N418-F422 WeakPolarHBondContact O-CD2 3.31Å; N418-F422 PolarHBondContact O-N 3.06Å; A419-F422 PolarHBondContact O-N 3.45Å; F422-A424 VanDerWaalsContact C-N 3.34Å; F422-A424 PolarHBondContact O-N 3.15Å; F422-L425 PolarHBondContact O-N 3.25Å; F422-S426 PolarHBondContact O-N 3.5Å; F422-S426 PolarHBondContact O-OG 3.03Å
423Q96.4Very high96.5Very high97 Ų97104.6 Ų104.645%0.45352%0.516SS..Hα-helixtrans-63.1-37.9176.5-175.417671.300112.7A419 L420 R427A419-Q423 PolarHBondContact O-N 2.96Å; L420-Q423 PolarHBondContact O-N 3.23Å; Q423-R427 WeakPolarHBondContact O-CG 3.46Å; Q423-R427 PolarHBondContact O-N 3.33Å; Q423-R427 VanDerWaalsContact O-N 3.12Å
424A95.3Very high96.5Very high56 Ų56105.3 Ų105.346%0.46352%0.516SS..Hα-helixtrans-63.7-45.1174.700000111.5L420 R421 F422 S426 R427 E428L420-A424 WeakPolarHBondContact O-CB 3.29Å; L420-A424 PolarHBondContact O-N 3.3Å; R421-A424 PolarHBondContact O-N 2.96Å; F422-A424 VanDerWaalsContact C-N 3.34Å; F422-A424 PolarHBondContact O-N 3.15Å; A424-S426 PolarHBondContact O-N 3.12Å; A424-R427 PolarHBondContact O-N 3.29Å; A424-E428 WeakPolarHBondContact O-CB 3.4Å; A424-E428 PolarHBondContact O-N 3.06Å
425L97.4Very high96.6Very high93 Ų93101.9 Ų101.949%0.48751%0.514SS..Hα-helixtrans-62.5-40.9176.9-165.489.4000112.2R421 F422 E428 N429R421-L425 WeakPolarHBondContact O-CB 3.35Å; R421-L425 PolarHBondContact O-N 2.92Å; F422-L425 PolarHBondContact O-N 3.25Å; L425-E428 PolarHBondContact O-N 3.16Å; L425-N429 PolarHBondContact O-N 3.18Å; L425-N429 PolarHBondContact O-ND2 2.88Å
426S95.8Very high96.6Very high63 Ų6398.8 Ų98.844%0.44151%0.506SS..Hα-helixtrans-60.3-49.1174.7-66.80000111.5F422 A424 E428 N429 E430F422-S426 PolarHBondContact O-N 3.5Å; F422-S426 PolarHBondContact O-OG 3.03Å; A424-S426 PolarHBondContact O-N 3.12Å; S426-E428 VanDerWaalsContact C-N 3.34Å; S426-E428 PolarHBondContact O-N 2.8Å; S426-N429 PolarHBondContact O-N 3.49Å; S426-E430 WeakPolarHBondContact O-CG 3.47Å; S426-E430 PolarHBondContact O-N 2.89Å
427R95.3Very high96.7Very high125 Ų12599.4 Ų99.447%0.47251%0.51SS..Hα-helixtrans-63.4-37.7177.2-72-179.3-177.2150.67113Q423 A424 N429 E430 H431Q423-R427 WeakPolarHBondContact O-CG 3.46Å; Q423-R427 PolarHBondContact O-N 3.33Å; Q423-R427 VanDerWaalsContact O-N 3.12Å; A424-R427 PolarHBondContact O-N 3.29Å; R427-N429 VanDerWaalsContact C-N 3.35Å; R427-E430 PolarHBondContact O-N 2.88Å; R427-H431 WeakPolarHBondContact O-CB 3.44Å; R427-H431 PolarHBondContact O-CD2 3.34Å; R427-H431 VanDerWaalsContact O-CG 3.27Å; R427-H431 PolarHBondContact O-N 3.34Å
428E95.8Very high96.7Very high128 Ų128101.4 Ų101.460%0.59852%0.518SS*.Hα-helixtrans-63-42.6175.7-174.8176.8-175.900111.2A424 L425 S426 R432A424-E428 WeakPolarHBondContact O-CB 3.4Å; A424-E428 PolarHBondContact O-N 3.06Å; L425-E428 PolarHBondContact O-N 3.16Å; S426-E428 VanDerWaalsContact C-N 3.34Å; S426-E428 PolarHBondContact O-N 2.8Å; E428-R432 WeakPolarHBondContact O-CB 3.42Å; E428-R432 PolarHBondContact O-N 2.9Å
429N95.9Very high96.8Very high83 Ų83100.7 Ų100.744%0.44452%0.519SS..Hα-helixtrans-67.8-39.9175.5-72.5-49.2000112.7L425 S426 R427 R432 A433L425-N429 PolarHBondContact O-N 3.18Å; L425-N429 PolarHBondContact O-ND2 2.88Å; S426-N429 PolarHBondContact O-N 3.49Å; R427-N429 VanDerWaalsContact C-N 3.35Å; N429-R432 PolarHBondContact O-N 3.38Å; N429-A433 PolarHBondContact O-N 3.48Å
430E96.4Very high96.8Very high113 Ų113100.4 Ų100.453%0.52852%0.516SS..Hα-helixtrans-59-55173.4-73.7163.2-171.600110.8S426 R427 R432 A433 E434S426-E430 WeakPolarHBondContact O-CG 3.47Å; S426-E430 PolarHBondContact O-N 2.89Å; R427-E430 PolarHBondContact O-N 2.88Å; E430-R432 VanDerWaalsContact C-N 3.28Å; E430-R432 PolarHBondContact O-N 3.49Å; E430-A433 WeakPolarHBondContact O-CB 3.4Å; E430-A433 PolarHBondContact O-N 2.93Å; E430-A433 VanDerWaalsContact O-N 3.09Å; E430-E434 WeakPolarHBondContact O-CG 3.06Å; E430-E434 PolarHBondContact O-N 3.41Å
431H96.8Very high96.9Very high104 Ų104100.8 Ų100.848%0.48152%0.515SS..Hα-helixtrans-62.4-34177.8-66.5-37000113R427 E434 V435R427-H431 WeakPolarHBondContact O-CB 3.44Å; R427-H431 PolarHBondContact O-CD2 3.34Å; R427-H431 VanDerWaalsContact O-CG 3.27Å; R427-H431 PolarHBondContact O-N 3.34Å; H431-E434 IonicContact CE1-OE2 3.24Å; H431-E434 IonicContact CG-OE2 3.21Å; H431-E434 IonicContact ND1-OE2 3.87Å; H431-E434 PolarHBondContact ND1-OE2 3.34Å; H431-E434 PolarHBondContact O-N 3.4Å; H431-V435 WeakPolarHBondContact O-CB 3.45Å; H431-V435 VanDerWaalsContact O-CG2 3.24Å; H431-V435 WeakPolarHBondContact O-CG2 3.25Å; H431-V435 PolarHBondContact O-N 3.44Å
432R97.6Very high96.9Very high173 Ų17397 Ų9765%0.65351%0.507SS*.Hα-helixtrans-65.7-39.9174.2-177177.9177-170.2-1111.7E428 N429 E430 C436E428-R432 WeakPolarHBondContact O-CB 3.42Å; E428-R432 PolarHBondContact O-N 2.9Å; N429-R432 PolarHBondContact O-N 3.38Å; E430-R432 VanDerWaalsContact C-N 3.28Å; E430-R432 PolarHBondContact O-N 3.49Å; R432-C436 PolarHBondContact O-N 3.48Å; R432-C436 PolarHBondContact O-SG 2.9Å
433A96.8Very high96.9Very high51 Ų5194.1 Ų94.142%0.42150%0.496SS..Hα-helixtrans-65.3-47.9173.800000111.3N429 E430 V435 C436 D437N429-A433 PolarHBondContact O-N 3.48Å; E430-A433 WeakPolarHBondContact O-CB 3.4Å; E430-A433 PolarHBondContact O-N 2.93Å; E430-A433 VanDerWaalsContact O-N 3.09Å; A433-V435 VanDerWaalsContact C-N 3.3Å; A433-V435 PolarHBondContact O-N 3.05Å; A433-C436 WeakPolarHBondContact O-CB 2.97Å; A433-C436 PolarHBondContact O-N 3.15Å; A433-C436 VanDerWaalsContact O-N 3.09Å; A433-D437 PolarHBondContact O-N 3.48Å
434E97.5Very high97Very high105 Ų10594.8 Ų94.849%0.49150%0.499SS..Hα-helixtrans-54.9-43.6175.3-68.8174.7151.300112E430 H431 D437 L438E430-E434 WeakPolarHBondContact O-CG 3.06Å; E430-E434 PolarHBondContact O-N 3.41Å; H431-E434 IonicContact CE1-OE2 3.24Å; H431-E434 IonicContact CG-OE2 3.21Å; H431-E434 IonicContact ND1-OE2 3.87Å; H431-E434 PolarHBondContact ND1-OE2 3.34Å; H431-E434 PolarHBondContact O-N 3.4Å; E434-D437 PolarHBondContact O-N 3.03Å; E434-L438 WeakPolarHBondContact O-CB 3.23Å; E434-L438 VanDerWaalsContact O-CG 3.25Å; E434-L438 WeakPolarHBondContact O-CG 3.43Å; E434-L438 PolarHBondContact O-N 3.34Å
435V97Very high97.1Very high98 Ų9894.7 Ų94.759%0.59450%0.498SS*.Hα-helixtrans-66.9-40.2177.1168.60000111.8H431 A433 S439H431-V435 WeakPolarHBondContact O-CB 3.45Å; H431-V435 VanDerWaalsContact O-CG2 3.24Å; H431-V435 WeakPolarHBondContact O-CG2 3.25Å; H431-V435 PolarHBondContact O-N 3.44Å; A433-V435 VanDerWaalsContact C-N 3.3Å; A433-V435 PolarHBondContact O-N 3.05Å; V435-S439 VanDerWaalsContact O-CB 3.28Å; V435-S439 WeakPolarHBondContact O-CB 3.42Å; V435-S439 PolarHBondContact O-N 3.48Å; V435-S439 PolarHBondContact O-OG 3.45Å
436C97.6Very high97.1Very high67 Ų6797.7 Ų97.745%0.45350%0.503SS..Hα-helixtrans-59.9-49.5173.4-74.80000111.3R432 A433 S439 A440R432-C436 PolarHBondContact O-N 3.48Å; R432-C436 PolarHBondContact O-SG 2.9Å; A433-C436 WeakPolarHBondContact O-CB 2.97Å; A433-C436 PolarHBondContact O-N 3.15Å; A433-C436 VanDerWaalsContact O-N 3.09Å; C436-S439 PolarHBondContact O-N 2.97Å; C436-S439 PolarHBondContact O-OG 2.98Å; C436-A440 PolarHBondContact O-N 3.47Å
437D97.4Very high97.2Very high102 Ų102102.1 Ų102.155%0.54551%0.51SS..Hα-helixtrans-63.8-44.6-178.5-69-17000112.1A433 E434 S439 A440 Q441A433-D437 PolarHBondContact O-N 3.48Å; E434-D437 PolarHBondContact O-N 3.03Å; D437-S439 VanDerWaalsContact C-N 3.31Å; D437-S439 PolarHBondContact O-N 3.1Å; D437-A440 PolarHBondContact O-N 3.34Å; D437-Q441 WeakPolarHBondContact O-CG 3.47Å; D437-Q441 PolarHBondContact O-N 3.07Å
438L97.8Very high97.4Very high109 Ų109101.7 Ų101.757%0.57151%0.513SS*.Hα-helixtrans-63.8-35.7175.1-71.5172000112.1E434 L442E434-L438 WeakPolarHBondContact O-CB 3.23Å; E434-L438 VanDerWaalsContact O-CG 3.25Å; E434-L438 WeakPolarHBondContact O-CG 3.43Å; E434-L438 PolarHBondContact O-N 3.34Å; L438-L442 VanDerWaalsContact O-CB 3.31Å; L438-L442 WeakPolarHBondContact O-CB 3.29Å; L438-L442 PolarHBondContact O-N 2.83Å
439S97.5Very high97.4Very high62 Ų6297.9 Ų97.943%0.43450%0.504SS..Hα-helixtrans-67.5-38.317577.80000112.2V435 C436 D437 L442 E443V435-S439 VanDerWaalsContact O-CB 3.28Å; V435-S439 WeakPolarHBondContact O-CB 3.42Å; V435-S439 PolarHBondContact O-N 3.48Å; V435-S439 PolarHBondContact O-OG 3.45Å; C436-S439 PolarHBondContact O-N 2.97Å; C436-S439 PolarHBondContact O-OG 2.98Å; D437-S439 VanDerWaalsContact C-N 3.31Å; D437-S439 PolarHBondContact O-N 3.1Å; S439-L442 PolarHBondContact O-N 2.95Å; S439-E443 PolarHBondContact O-N 3.4Å
440A97.9Very high97.5Very high56 Ų5695.8 Ų95.846%0.46350%0.502SS..Hα-helixtrans-65.3-45.3176.400000111.7C436 D437 L442 E443 E444C436-A440 PolarHBondContact O-N 3.47Å; D437-A440 PolarHBondContact O-N 3.34Å; A440-L442 VanDerWaalsContact C-N 3.31Å; A440-L442 PolarHBondContact O-N 3.14Å; A440-E443 PolarHBondContact O-N 3.39Å; A440-E444 WeakPolarHBondContact O-CB 3.3Å; A440-E444 PolarHBondContact O-N 3.4Å
441Q98Very high97.6Very high117 Ų11797.2 Ų97.255%0.54751%0.506SS..Hα-helixtrans-60.5-39.5174.3-69.9173.433.300112D437 E444 A445D437-Q441 WeakPolarHBondContact O-CG 3.47Å; D437-Q441 PolarHBondContact O-N 3.07Å; Q441-E444 PolarHBondContact O-N 3.25Å; Q441-A445 WeakPolarHBondContact O-CB 3.41Å; Q441-A445 PolarHBondContact O-N 3.39Å
442L97.8Very high97.6Very high91 Ų9197.5 Ų97.548%0.47651%0.51SS..Hα-helixtrans-68.5-37.8178.3-176.3139.1000112.3L438 S439 A440 R446L438-L442 VanDerWaalsContact O-CB 3.31Å; L438-L442 WeakPolarHBondContact O-CB 3.29Å; L438-L442 PolarHBondContact O-N 2.83Å; S439-L442 PolarHBondContact O-N 2.95Å; A440-L442 VanDerWaalsContact C-N 3.31Å; A440-L442 PolarHBondContact O-N 3.14Å; L442-R446 VanDerWaalsContact CD2-CZ 3.48Å; L442-R446 WeakPolarHBondContact O-CB 3.48Å; L442-R446 VanDerWaalsContact O-CG 3.24Å; L442-R446 WeakPolarHBondContact O-CG 3.28Å; L442-R446 PolarHBondContact O-N 2.87Å
443E97.3Very high97.6Very high84 Ų8494.4 Ų94.439%0.39351%0.507SS..Hα-helixtrans-73.6-26.9172.9-72.9-54.5134.300113.6S439 A440 R446 R447S439-E443 PolarHBondContact O-N 3.4Å; A440-E443 PolarHBondContact O-N 3.39Å; E443-R446 VanDerWaalsContact OE1-CD 3.31Å; E443-R446 WeakPolarHBondContact OE1-CD 3.43Å; E443-R446 IonicContact OE1-CZ 2.73Å; E443-R446 IonicContact OE1-NE 3.7Å; E443-R446 IonicContact OE1-NH1 3.39Å; E443-R446 PolarHBondContact OE1-NH1 2.99Å; E443-R447 WeakPolarHBondContact O-CG 3.46Å; E443-R447 PolarHBondContact O-N 3.49Å; E443-R447 PolarHBondContact O-NE 2.94Å
444E98.1Very high97.7Very high111 Ų11195.6 Ų95.652%0.51950%0.504SS..Hα-helixtrans-68.3-52.5168.5-175.9158.8-136.900111.3A440 Q441 R446 R447 E448A440-E444 WeakPolarHBondContact O-CB 3.3Å; A440-E444 PolarHBondContact O-N 3.4Å; Q441-E444 PolarHBondContact O-N 3.25Å; E444-R446 VanDerWaalsContact C-N 3.26Å; E444-R446 PolarHBondContact O-N 2.92Å; E444-R447 CarbonylContact O-C 3.56Å; E444-R447 WeakPolarHBondContact O-CA 3.5Å; E444-R447 WeakPolarHBondContact O-CB 3.37Å; E444-R447 PolarHBondContact O-N 3.03Å; E444-E448 PolarHBondContact O-N 3.2Å
445A97.4Very high97.7Very high54 Ų5496.4 Ų96.445%0.44651%0.507SS..Hα-helixtrans-58.3-36176.500000112.7Q441 E448 A449Q441-A445 WeakPolarHBondContact O-CB 3.41Å; Q441-A445 PolarHBondContact O-N 3.39Å; A445-E448 PolarHBondContact O-N 2.97Å; A445-A449 WeakPolarHBondContact O-CB 3.45Å; A445-A449 PolarHBondContact O-N 3.1Å
446R97.7Very high97.7Very high155 Ų15596.2 Ų96.259%0.58550%0.503SS*.Hα-helixtrans-62.5-43.4171.2-80.4171.5171.4-174.1-2.4112.5L442 E443 E444 A449 G450L442-R446 VanDerWaalsContact CD2-CZ 3.48Å; L442-R446 WeakPolarHBondContact O-CB 3.48Å; L442-R446 VanDerWaalsContact O-CG 3.24Å; L442-R446 WeakPolarHBondContact O-CG 3.28Å; L442-R446 PolarHBondContact O-N 2.87Å; E443-R446 VanDerWaalsContact OE1-CD 3.31Å; E443-R446 WeakPolarHBondContact OE1-CD 3.43Å; E443-R446 IonicContact OE1-CZ 2.73Å; E443-R446 IonicContact OE1-NE 3.7Å; E443-R446 IonicContact OE1-NH1 3.39Å; E443-R446 PolarHBondContact OE1-NH1 2.99Å; E444-R446 VanDerWaalsContact C-N 3.26Å; E444-R446 PolarHBondContact O-N 2.92Å; R446-A449 PolarHBondContact O-N 3.39Å; R446-G450 PolarHBondContact O-N 3.35Å
447R98.1Very high97.7Very high156 Ų15699.2 Ų99.259%0.58950%0.504SS*.Hα-helixtrans-66.6-38176.6-77.2177.4-73.41731111.9E443 E444 G450 K451E443-R447 WeakPolarHBondContact O-CG 3.46Å; E443-R447 PolarHBondContact O-N 3.49Å; E443-R447 PolarHBondContact O-NE 2.94Å; E444-R447 CarbonylContact O-C 3.56Å; E444-R447 WeakPolarHBondContact O-CA 3.5Å; E444-R447 WeakPolarHBondContact O-CB 3.37Å; E444-R447 PolarHBondContact O-N 3.03Å; R447-G450 PolarHBondContact O-N 2.65Å; R447-K451 WeakPolarHBondContact O-CG 3.48Å; R447-K451 PolarHBondContact O-N 3.39Å
448E98.1Very high97.8Very high117 Ų11798 Ų9855%0.54750%0.497SS..Hα-helixtrans-65.4-46.6173.7-67-169.1147.300112.4E444 A445 G450 K451 L452E444-E448 PolarHBondContact O-N 3.2Å; A445-E448 PolarHBondContact O-N 2.97Å; E448-G450 PolarHBondContact O-N 2.7Å; E448-K451 WeakPolarHBondContact O-CB 3.48Å; E448-K451 PolarHBondContact O-N 3.37Å; E448-K451 VanDerWaalsContact O-N 3.14Å; E448-L452 PolarHBondContact O-N 2.95Å
449A96.9Very high97.8Very high48 Ų4896.2 Ų96.240%0.39749%0.491SS..Hα-helixtrans-59.6-36.8173.900000112A445 R446 L452 N453A445-A449 WeakPolarHBondContact O-CB 3.45Å; A445-A449 PolarHBondContact O-N 3.1Å; R446-A449 PolarHBondContact O-N 3.39Å; A449-L452 PolarHBondContact O-N 2.65Å; A449-N453 WeakPolarHBondContact O-CB 3.46Å; A449-N453 VanDerWaalsContact O-CG 3.3Å; A449-N453 PolarHBondContact O-N 3.34Å; A449-N453 PolarHBondContact O-ND2 3.43Å
450G97.5Very high97.8Very high39 Ų3998 Ų9840%0.40250%0.495SS..Hα-helixtrans-60-48.6171.500000112.9R446 R447 E448 L452 N453 E454R446-G450 PolarHBondContact O-N 3.35Å; R447-G450 PolarHBondContact O-N 2.65Å; E448-G450 PolarHBondContact O-N 2.7Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.02Å; G450-N453 PolarHBondContact O-N 2.93Å; G450-E454 PolarHBondContact O-N 3.33Å
451K98Very high97.8Very high142 Ų142100.9 Ų100.962%0.61750%0.499SS*.Hα-helixtrans-60-42.1175.5-68.9169.7-175.9173.70112.1R447 E448 E454 Q455R447-K451 WeakPolarHBondContact O-CG 3.48Å; R447-K451 PolarHBondContact O-N 3.39Å; E448-K451 WeakPolarHBondContact O-CB 3.48Å; E448-K451 PolarHBondContact O-N 3.37Å; E448-K451 VanDerWaalsContact O-N 3.14Å; K451-E454 PolarHBondContact O-N 2.97Å; K451-Q455 WeakPolarHBondContact O-CG 3.31Å; K451-Q455 PolarHBondContact O-N 3.34Å
452L97.8Very high97.8Very high110 Ų110100.8 Ų100.858%0.57650%0.498SS*.Hα-helixtrans-68.1-40.1179.8-173.765.7000112E448 A449 G450 E454 Q455 L456E448-L452 PolarHBondContact O-N 2.95Å; A449-L452 PolarHBondContact O-N 2.65Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.02Å; L452-E454 VanDerWaalsContact C-N 3.31Å; L452-E454 PolarHBondContact O-N 3.45Å; L452-Q455 PolarHBondContact O-N 3.01Å; L452-L456 WeakPolarHBondContact O-CB 3.38Å; L452-L456 PolarHBondContact O-N 3.38Å
453N97.7Very high97.7Very high108 Ų108100 Ų10058%0.57850%0.495SS*.Hα-helixtrans-63.6-37.1173.7-76.6-21.9000112A449 G450 L456 R457A449-N453 WeakPolarHBondContact O-CB 3.46Å; A449-N453 VanDerWaalsContact O-CG 3.3Å; A449-N453 PolarHBondContact O-N 3.34Å; A449-N453 PolarHBondContact O-ND2 3.43Å; G450-N453 PolarHBondContact O-N 2.93Å; N453-L456 PolarHBondContact O-N 3.2Å; N453-R457 PolarHBondContact O-N 3.04Å
454E97.7Very high97.8Very high76 Ų7699.3 Ų99.336%0.35550%0.496SS..Hα-helixtrans-65.6-46174.6-175.756-132.600111.7G450 K451 L452 L456 R457 I458G450-E454 PolarHBondContact O-N 3.33Å; K451-E454 PolarHBondContact O-N 2.97Å; L452-E454 VanDerWaalsContact C-N 3.31Å; L452-E454 PolarHBondContact O-N 3.45Å; E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 2.7Å; E454-R457 WeakPolarHBondContact O-CB 3.24Å; E454-R457 PolarHBondContact O-N 2.99Å; E454-R457 VanDerWaalsContact O-N 3.15Å; E454-R457 IonicContact OE1-CZ 3.43Å; E454-R457 IonicContact OE1-NE 3.71Å; E454-R457 PolarHBondContact OE1-NE 2.99Å; E454-R457 IonicContact OE1-NH2 2.65Å; E454-R457 PolarHBondContact OE1-NH2 2.95Å; E454-R457 IonicContact OE2-CZ 2.69Å; E454-R457 IonicContact OE2-NE 2.83Å; E454-R457 PolarHBondContact OE2-NE 3.18Å; E454-R457 IonicContact OE2-NH2 3.47Å; E454-R457 PolarHBondContact OE2-NH2 3.49Å; E454-I458 HydrophobicContact CG-CD1 4.41Å; E454-I458 WeakPolarHBondContact O-CG1 3.39Å; E454-I458 PolarHBondContact O-N 3.25Å
455Q98Very high97.7Very high122 Ų12296.3 Ų96.357%0.5749%0.49SS*.Hα-helixtrans-59.2-41.8173.2-73.5179-22.200112K451 L452 R457 I458 V459K451-Q455 WeakPolarHBondContact O-CG 3.31Å; K451-Q455 PolarHBondContact O-N 3.34Å; L452-Q455 PolarHBondContact O-N 3.01Å; Q455-R457 VanDerWaalsContact C-N 3.34Å; Q455-R457 PolarHBondContact O-N 3.06Å; Q455-I458 PolarHBondContact O-N 2.93Å; Q455-V459 WeakPolarHBondContact O-CG2 3.47Å; Q455-V459 PolarHBondContact O-N 2.94Å
456L97.9Very high97.8Very high95 Ų9598.7 Ų98.750%0.49750%0.495SS..Hα-helixtrans-62.9-39.6175.6-179.661.2000111.8L452 N453 E454 V459 L460L452-L456 WeakPolarHBondContact O-CB 3.38Å; L452-L456 PolarHBondContact O-N 3.38Å; N453-L456 PolarHBondContact O-N 3.2Å; E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 2.7Å; L456-V459 PolarHBondContact O-N 2.87Å; L456-L460 HydrophobicContact CD1-CD1 4.21Å; L456-L460 HydrophobicContact CD1-CG 4.23Å; L456-L460 HydrophobicContact CG-CD1 4.01Å; L456-L460 HydrophobicContact CG-CG 4.46Å; L456-L460 WeakPolarHBondContact O-CB 3.41Å; L456-L460 VanDerWaalsContact O-CG 3.23Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.14Å
457R97.9Very high97.7Very high129 Ų12996.7 Ų96.749%0.48749%0.492SS..Hα-helixtrans-58.9-50.7174.1177.6174.570166.72.2111.2N453 E454 Q455 V459 L460 E461N453-R457 PolarHBondContact O-N 3.04Å; E454-R457 WeakPolarHBondContact O-CB 3.24Å; E454-R457 PolarHBondContact O-N 2.99Å; E454-R457 VanDerWaalsContact O-N 3.15Å; E454-R457 IonicContact OE1-CZ 3.43Å; E454-R457 IonicContact OE1-NE 3.71Å; E454-R457 PolarHBondContact OE1-NE 2.99Å; E454-R457 IonicContact OE1-NH2 2.65Å; E454-R457 PolarHBondContact OE1-NH2 2.95Å; E454-R457 IonicContact OE2-CZ 2.69Å; E454-R457 IonicContact OE2-NE 2.83Å; E454-R457 PolarHBondContact OE2-NE 3.18Å; E454-R457 IonicContact OE2-NH2 3.47Å; E454-R457 PolarHBondContact OE2-NH2 3.49Å; Q455-R457 VanDerWaalsContact C-N 3.34Å; Q455-R457 PolarHBondContact O-N 3.06Å; R457-V459 PolarHBondContact O-N 3.01Å; R457-L460 PolarHBondContact O-N 3.36Å; R457-L460 VanDerWaalsContact O-N 3.15Å; R457-E461 HydrophobicContact CG-CG 4.48Å; R457-E461 WeakPolarHBondContact CG-OE1 3.45Å; R457-E461 WeakPolarHBondContact O-CG 3.44Å; R457-E461 PolarHBondContact O-N 2.9Å
458I98.1Very high97.6Very high78 Ų7896.1 Ų96.140%0.449%0.494SS..Hα-helixtrans-57.5-49.3179.7-64.7164.6000110.5E454 Q455 L460 E461 E462E454-I458 HydrophobicContact CG-CD1 4.41Å; E454-I458 WeakPolarHBondContact O-CG1 3.39Å; E454-I458 PolarHBondContact O-N 3.25Å; Q455-I458 PolarHBondContact O-N 2.93Å; I458-L460 VanDerWaalsContact C-N 3.3Å; I458-L460 PolarHBondContact O-N 2.9Å; I458-E461 PolarHBondContact O-N 3.41Å; I458-E461 VanDerWaalsContact O-N 3.17Å; I458-E462 WeakPolarHBondContact O-CG 3.41Å; I458-E462 PolarHBondContact O-N 2.65Å
459V98Very high97.6Very high70 Ų7096.3 Ų96.342%0.42450%0.495SS..Hα-helixtrans-62.8-35178.7172.10000112.2Q455 L456 R457 N463Q455-V459 WeakPolarHBondContact O-CG2 3.47Å; Q455-V459 PolarHBondContact O-N 2.94Å; L456-V459 PolarHBondContact O-N 2.87Å; R457-V459 PolarHBondContact O-N 3.01Å; V459-N463 WeakPolarHBondContact O-CB 3.31Å; V459-N463 PolarHBondContact O-N 3.29Å; V459-N463 PolarHBondContact O-ND2 2.98Å
460L97.5Very high97.6Very high99 Ų9998.6 Ų98.652%0.51850%0.5SS..Hα-helixtrans-69.6-39.5174.7-73.3170.8000112.1L456 R457 I458 N463 V464L456-L460 HydrophobicContact CD1-CD1 4.21Å; L456-L460 HydrophobicContact CD1-CG 4.23Å; L456-L460 HydrophobicContact CG-CD1 4.01Å; L456-L460 HydrophobicContact CG-CG 4.46Å; L456-L460 WeakPolarHBondContact O-CB 3.41Å; L456-L460 VanDerWaalsContact O-CG 3.23Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.14Å; R457-L460 PolarHBondContact O-N 3.36Å; R457-L460 VanDerWaalsContact O-N 3.15Å; I458-L460 VanDerWaalsContact C-N 3.3Å; I458-L460 PolarHBondContact O-N 2.9Å; L460-N463 PolarHBondContact O-N 3.46Å; L460-V464 WeakPolarHBondContact O-CG2 3.36Å; L460-V464 PolarHBondContact O-N 3.43Å
461E97.6Very high97.6Very high118 Ų118100.4 Ų100.455%0.55150%0.499SS*.Hα-helixtrans-64.2-42.5175-72.5176.7-167.600111.7R457 I458 V464 A465R457-E461 HydrophobicContact CG-CG 4.48Å; R457-E461 WeakPolarHBondContact CG-OE1 3.45Å; R457-E461 WeakPolarHBondContact O-CG 3.44Å; R457-E461 PolarHBondContact O-N 2.9Å; I458-E461 PolarHBondContact O-N 3.41Å; I458-E461 VanDerWaalsContact O-N 3.17Å; E461-V464 PolarHBondContact O-N 3.19Å; E461-A465 PolarHBondContact O-N 3.03Å
462E97.9Very high97.5Very high114 Ų114100.2 Ų100.253%0.53350%0.498SS..Hα-helixtrans-60.2-46.1172.1-73-179.5168.200112I458 V464 A465 L466I458-E462 WeakPolarHBondContact O-CG 3.41Å; I458-E462 PolarHBondContact O-N 2.65Å; E462-V464 VanDerWaalsContact C-N 3.32Å; E462-V464 PolarHBondContact O-N 2.94Å; E462-A465 WeakPolarHBondContact O-CB 3.4Å; E462-A465 PolarHBondContact O-N 2.96Å; E462-A465 VanDerWaalsContact O-N 3.12Å; E462-L466 WeakPolarHBondContact O-CG 3.5Å; E462-L466 PolarHBondContact O-N 3.25Å
463N97.3Very high97.4Very high76 Ų76100 Ų10041%0.40650%0.497SS..Hα-helixtrans-59.4-41.5176-87.2-74.6000112.1V459 L460 L466 Q467V459-N463 WeakPolarHBondContact O-CB 3.31Å; V459-N463 PolarHBondContact O-N 3.29Å; V459-N463 PolarHBondContact O-ND2 2.98Å; L460-N463 PolarHBondContact O-N 3.46Å; N463-L466 PolarHBondContact O-N 3.01Å; N463-Q467 WeakPolarHBondContact O-CB 3.34Å; N463-Q467 VanDerWaalsContact O-CG 3.29Å; N463-Q467 WeakPolarHBondContact O-CG 3.24Å; N463-Q467 PolarHBondContact O-N 3.43Å
464V97.9Very high97.3Very high68 Ų6899.3 Ų99.341%0.41249%0.491SS..Hα-helixtrans-66.5-36.7175.3169.90000111.6L460 E461 E462 K468L460-V464 WeakPolarHBondContact O-CG2 3.36Å; L460-V464 PolarHBondContact O-N 3.43Å; E461-V464 PolarHBondContact O-N 3.19Å; E462-V464 VanDerWaalsContact C-N 3.32Å; E462-V464 PolarHBondContact O-N 2.94Å; V464-K468 HydrophobicContact CG1-CD 4.38Å; V464-K468 VanDerWaalsContact O-CG 3.3Å; V464-K468 WeakPolarHBondContact O-CG 3.25Å; V464-K468 PolarHBondContact O-N 2.97Å; V464-K468 VanDerWaalsContact O-N 3.08Å
465A97.5Very high97.1Very high48 Ų48104.3 Ų104.340%0.39751%0.506SS..Hα-helixtrans-65.6-44.4174.300000111.8E461 E462 K468 Q469E461-A465 PolarHBondContact O-N 3.03Å; E462-A465 WeakPolarHBondContact O-CB 3.4Å; E462-A465 PolarHBondContact O-N 2.96Å; E462-A465 VanDerWaalsContact O-N 3.12Å; A465-K468 WeakPolarHBondContact O-CB 3.41Å; A465-K468 PolarHBondContact O-N 3.3Å; A465-Q469 PolarHBondContact O-N 3.38Å
466L97.8Very high96.9Very high104 Ų104103.8 Ų103.855%0.54550%0.504SS..Hα-helixtrans-63.6-42.7176.1-70.1171.1000111.9E462 N463 K468 Q469 L470E462-L466 WeakPolarHBondContact O-CG 3.5Å; E462-L466 PolarHBondContact O-N 3.25Å; N463-L466 PolarHBondContact O-N 3.01Å; L466-K468 VanDerWaalsContact C-N 3.33Å; L466-K468 PolarHBondContact O-N 2.69Å; L466-Q469 PolarHBondContact O-N 3.11Å; L466-Q469 VanDerWaalsContact O-N 3.12Å; L466-L470 PolarHBondContact O-N 3.3Å
467Q96.8Very high96.7Very high113 Ų113106.3 Ų106.353%0.52851%0.508SS..Hα-helixtrans-59.5-41.6173.4-75.6174.9-0.200112.2N463 Q469 L470 I471N463-Q467 WeakPolarHBondContact O-CB 3.34Å; N463-Q467 VanDerWaalsContact O-CG 3.29Å; N463-Q467 WeakPolarHBondContact O-CG 3.24Å; N463-Q467 PolarHBondContact O-N 3.43Å; Q467-Q469 VanDerWaalsContact C-N 3.32Å; Q467-Q469 PolarHBondContact O-N 3.34Å; Q467-L470 PolarHBondContact O-N 2.89Å; Q467-I471 VanDerWaalsContact O-CG1 3.31Å; Q467-I471 WeakPolarHBondContact O-CG1 3.4Å; Q467-I471 PolarHBondContact O-N 2.99Å
468K96.7Very high96.4Very high145 Ų145104.8 Ų104.863%0.6351%0.509SS*.Hα-helixtrans-62.8-37.8174.2-72.9167.8-177.8172.60112.1V464 A465 L466 K472V464-K468 HydrophobicContact CG1-CD 4.38Å; V464-K468 VanDerWaalsContact O-CG 3.3Å; V464-K468 WeakPolarHBondContact O-CG 3.25Å; V464-K468 PolarHBondContact O-N 2.97Å; V464-K468 VanDerWaalsContact O-N 3.08Å; A465-K468 WeakPolarHBondContact O-CB 3.41Å; A465-K468 PolarHBondContact O-N 3.3Å; L466-K468 VanDerWaalsContact C-N 3.33Å; L466-K468 PolarHBondContact O-N 2.69Å; K468-K472 WeakPolarHBondContact O-CB 3.42Å; K468-K472 PolarHBondContact O-N 3.46Å; K468-K472 VanDerWaalsContact O-N 3.14Å
469Q97.6Very high95.9Very high120 Ų120107.9 Ų107.956%0.56152%0.519SS*.Hα-helixtrans-68.4-43.2175-70-170.46.200112A465 L466 Q467 K472 L473A465-Q469 PolarHBondContact O-N 3.38Å; L466-Q469 PolarHBondContact O-N 3.11Å; L466-Q469 VanDerWaalsContact O-N 3.12Å; Q467-Q469 VanDerWaalsContact C-N 3.32Å; Q467-Q469 PolarHBondContact O-N 3.34Å; Q469-K472 WeakPolarHBondContact O-CB 3.28Å; Q469-K472 PolarHBondContact O-N 3.49Å; Q469-K472 VanDerWaalsContact O-N 3.13Å; Q469-L473 WeakPolarHBondContact O-CG 3.42Å; Q469-L473 PolarHBondContact O-N 2.87Å
470L96.9Very high95.5Very high96 Ų96108.1 Ų108.150%0.50352%0.524SS..Hα-helixtrans-57-52.1175.7-178.963.6000111L466 Q467 K472 L473 E474L466-L470 PolarHBondContact O-N 3.3Å; Q467-L470 PolarHBondContact O-N 2.89Å; L470-K472 PolarHBondContact O-N 2.93Å; L470-L473 PolarHBondContact O-N 2.94Å; L470-L473 VanDerWaalsContact O-N 3.07Å; L470-E474 HydrophobicContact CD1-CG 4.37Å; L470-E474 HydrophobicContact CG-CG 4.43Å; L470-E474 WeakPolarHBondContact O-CG 3.48Å; L470-E474 PolarHBondContact O-N 2.91Å
471I96.2Very high94.9Very high78 Ų78108 Ų10840%0.452%0.522SS..Hα-helixtrans-58.7-35.1177.1-66.5164.4000111.6Q467 R475Q467-I471 VanDerWaalsContact O-CG1 3.31Å; Q467-I471 WeakPolarHBondContact O-CG1 3.4Å; Q467-I471 PolarHBondContact O-N 2.99Å; I471-R475 WeakPolarHBondContact O-CB 3.35Å; I471-R475 WeakPolarHBondContact O-CG 3.31Å; I471-R475 PolarHBondContact O-N 3.09Å
472K96.8Very high94Very high137 Ų137108.7 Ų108.760%0.59653%0.527SS*.Hα-helixtrans-67.9-44.1176.1-174.5-177.9177.7-174.90111.6K468 Q469 L470 R475 Q476K468-K472 WeakPolarHBondContact O-CB 3.42Å; K468-K472 PolarHBondContact O-N 3.46Å; K468-K472 VanDerWaalsContact O-N 3.14Å; Q469-K472 WeakPolarHBondContact O-CB 3.28Å; Q469-K472 PolarHBondContact O-N 3.49Å; Q469-K472 VanDerWaalsContact O-N 3.13Å; L470-K472 PolarHBondContact O-N 2.93Å; K472-R475 PolarHBondContact O-N 2.95Å; K472-Q476 WeakPolarHBondContact O-CG 3.15Å; K472-Q476 PolarHBondContact O-N 2.78Å
473L95.8Very high93Very high105 Ų105110.4 Ų110.455%0.5553%0.532SS..Hα-helixtrans-66.6-44.2177.4-70.3170.6000111.5Q469 L470 R475 Q476 Y477Q469-L473 WeakPolarHBondContact O-CG 3.42Å; Q469-L473 PolarHBondContact O-N 2.87Å; L470-L473 PolarHBondContact O-N 2.94Å; L470-L473 VanDerWaalsContact O-N 3.07Å; L473-R475 PolarHBondContact O-N 3.02Å; L473-Q476 WeakPolarHBondContact O-CB 3.41Å; L473-Q476 PolarHBondContact O-N 2.81Å; L473-Q476 VanDerWaalsContact O-N 3.14Å; L473-Y477 WeakPolarHBondContact O-CB 3.37Å; L473-Y477 PolarHBondContact O-N 2.81Å
474E94.6Very high92Very high94 Ų94110.1 Ų110.144%0.43954%0.536SS..Hα-helixtrans-56.7-48.1173.6-72.7173.2166.700111.2L470 Q476 Y477 L478L470-E474 HydrophobicContact CD1-CG 4.37Å; L470-E474 HydrophobicContact CG-CG 4.43Å; L470-E474 WeakPolarHBondContact O-CG 3.48Å; L470-E474 PolarHBondContact O-N 2.91Å; E474-Q476 VanDerWaalsContact C-N 3.32Å; E474-Q476 PolarHBondContact O-N 2.8Å; E474-Y477 PolarHBondContact O-N 2.9Å; E474-L478 WeakPolarHBondContact O-CB 3.44Å; E474-L478 WeakPolarHBondContact O-CD1 3.25Å; E474-L478 PolarHBondContact O-N 2.89Å
475R94.4Very high91.2Very high182 Ų182108.5 Ų108.569%0.68753%0.528SS*.Hα-helixtrans-61.3-37.3175.7-74.9172.8-178.1-157.21.3112.9I471 K472 L473 K479I471-R475 WeakPolarHBondContact O-CB 3.35Å; I471-R475 WeakPolarHBondContact O-CG 3.31Å; I471-R475 PolarHBondContact O-N 3.09Å; K472-R475 PolarHBondContact O-N 2.95Å; L473-R475 PolarHBondContact O-N 3.02Å; R475-K479 VanDerWaalsContact O-CB 3.25Å; R475-K479 WeakPolarHBondContact O-CB 3.46Å; R475-K479 PolarHBondContact O-N 3.42Å
476Q94.1Very high90.2Very high110 Ų110110.4 Ų110.451%0.51454%0.536SS..Hα-helixtrans-67.7-43.1175-76.2176.6-27.800111.5K472 L473 E474 K479 S480K472-Q476 WeakPolarHBondContact O-CG 3.15Å; K472-Q476 PolarHBondContact O-N 2.78Å; L473-Q476 WeakPolarHBondContact O-CB 3.41Å; L473-Q476 PolarHBondContact O-N 2.81Å; L473-Q476 VanDerWaalsContact O-N 3.14Å; E474-Q476 VanDerWaalsContact C-N 3.32Å; E474-Q476 PolarHBondContact O-N 2.8Å; Q476-K479 PolarHBondContact O-N 2.94Å; Q476-S480 PolarHBondContact O-N 3.27Å
477Y93.6Very high89.3Confident149 Ų149110.5 Ų110.558%0.58454%0.541SS*.Hα-helixtrans-62.4-49.8176177.4-101.7000111.9L473 E474 K479 S480 M481L473-Y477 WeakPolarHBondContact O-CB 3.37Å; L473-Y477 PolarHBondContact O-N 2.81Å; E474-Y477 PolarHBondContact O-N 2.9Å; Y477-K479 VanDerWaalsContact C-N 3.33Å; Y477-K479 PolarHBondContact O-N 3.09Å; Y477-S480 WeakPolarHBondContact O-CB 3.5Å; Y477-S480 PolarHBondContact O-N 3.01Å; Y477-S480 VanDerWaalsContact O-N 3.08Å; Y477-M481 HydrophobicContact CD1-CG 4.5Å; Y477-M481 HydrophobicContact CE1-CE 3.95Å; Y477-M481 HydrophobicContact CE1-CG 3.97Å; Y477-M481 HydrophobicContact CE1-SD 4.24Å; Y477-M481 HydrophobicContact CE2-CG 4.27Å; Y477-M481 PolarHBondContact O-N 3.23Å
478L90.8Very high88.4Confident97 Ų97107.3 Ų107.351%0.50853%0.53SS..Hα-helixtrans-56.2-44.9173.1-91.4137.7000111.7E474 S480 M481 M482E474-L478 WeakPolarHBondContact O-CB 3.44Å; E474-L478 WeakPolarHBondContact O-CD1 3.25Å; E474-L478 PolarHBondContact O-N 2.89Å; L478-S480 VanDerWaalsContact C-N 3.3Å; L478-S480 PolarHBondContact O-N 3.42Å; L478-M481 PolarHBondContact O-N 3.43Å; L478-M482 WeakPolarHBondContact O-CB 3.36Å; L478-M482 VanDerWaalsContact O-CG 3.26Å; L478-M482 WeakPolarHBondContact O-CG 3.43Å; L478-M482 PolarHBondContact O-N 2.89Å
479K88.6Confident87.7Confident143 Ų143105.6 Ų105.662%0.62252%0.524SS*.Hα-helixtrans-64-33.6176.5-173.7174.2-177.61770112.6R475 Q476 Y477 K483R475-K479 VanDerWaalsContact O-CB 3.25Å; R475-K479 WeakPolarHBondContact O-CB 3.46Å; R475-K479 PolarHBondContact O-N 3.42Å; Q476-K479 PolarHBondContact O-N 2.94Å; Y477-K479 VanDerWaalsContact C-N 3.33Å; Y477-K479 PolarHBondContact O-N 3.09Å; K479-K483 WeakPolarHBondContact O-CG 3.24Å; K479-K483 PolarHBondContact O-N 2.9Å
480S88.2Confident87.1Confident74 Ų74104.3 Ų104.352%0.51752%0.52SS..Hα-helixtrans-68.9-52.9174.3-162.50000111Q476 Y477 L478 M482 K483 S484Q476-S480 PolarHBondContact O-N 3.27Å; Y477-S480 WeakPolarHBondContact O-CB 3.5Å; Y477-S480 PolarHBondContact O-N 3.01Å; Y477-S480 VanDerWaalsContact O-N 3.08Å; L478-S480 VanDerWaalsContact C-N 3.3Å; L478-S480 PolarHBondContact O-N 3.42Å; S480-M482 VanDerWaalsContact C-N 3.28Å; S480-M482 PolarHBondContact O-N 3.31Å; S480-K483 WeakPolarHBondContact O-CB 3.41Å; S480-K483 PolarHBondContact O-N 2.75Å; S480-S484 PolarHBondContact O-N 2.9Å; S480-S484 PolarHBondContact O-OG 3.42Å
481M86.1Confident86.5Confident97 Ų97108.4 Ų108.448%0.47853%0.529SS..Hα-helixtrans-55.8-39.9175.7-84.1-124.4-65.600113Y477 L478 K483 S484 S485Y477-M481 HydrophobicContact CD1-CG 4.5Å; Y477-M481 HydrophobicContact CE1-CE 3.95Å; Y477-M481 HydrophobicContact CE1-CG 3.97Å; Y477-M481 HydrophobicContact CE1-SD 4.24Å; Y477-M481 HydrophobicContact CE2-CG 4.27Å; Y477-M481 PolarHBondContact O-N 3.23Å; L478-M481 PolarHBondContact O-N 3.43Å; M481-K483 VanDerWaalsContact C-N 3.28Å; M481-K483 PolarHBondContact O-N 2.77Å; M481-S484 CarbonylContact O-C 3.52Å; M481-S484 PolarHBondContact O-N 3.4Å; M481-S484 PolarHBondContact O-OG 3.32Å; M481-S485 PolarHBondContact O-N 3.44Å
482M78.4Confident85.9Confident132 Ų132110.4 Ų110.465%0.6554%0.536SS*.Hα-helixtrans-68.2-25.1177-75.5-17675.500113.2L478 S480 T488L478-M482 WeakPolarHBondContact O-CB 3.36Å; L478-M482 VanDerWaalsContact O-CG 3.26Å; L478-M482 WeakPolarHBondContact O-CG 3.43Å; L478-M482 PolarHBondContact O-N 2.89Å; S480-M482 VanDerWaalsContact C-N 3.28Å; S480-M482 PolarHBondContact O-N 3.31Å; M482-T488 VanDerWaalsContact O-CG2 3.23Å; M482-T488 WeakPolarHBondContact O-CG2 3.23Å; M482-T488 PolarHBondContact O-OG1 3.12Å
483K77.3Confident85.3Confident150 Ų150106 Ų10665%0.65253%0.526SS*.Hα-helixtrans-80-45.2172.7-76.5-177.2165.9-153.20111.8K479 S480 M481 S485 T488K479-K483 WeakPolarHBondContact O-CG 3.24Å; K479-K483 PolarHBondContact O-N 2.9Å; S480-K483 WeakPolarHBondContact O-CB 3.41Å; S480-K483 PolarHBondContact O-N 2.75Å; M481-K483 VanDerWaalsContact C-N 3.28Å; M481-K483 PolarHBondContact O-N 2.77Å; K483-S485 PolarHBondContact O-N 2.97Å; K483-T488 PolarHBondContact O-OG1 2.96Å
484S75.5Confident85Confident70 Ų70106.9 Ų106.949%0.4953%0.527SS..SBendtrans-78.49.8176.966.40000113.5S480 M481S480-S484 PolarHBondContact O-N 2.9Å; S480-S484 PolarHBondContact O-OG 3.42Å; M481-S484 CarbonylContact O-C 3.52Å; M481-S484 PolarHBondContact O-N 3.4Å; M481-S484 PolarHBondContact O-OG 3.32Å
485S81.1Confident84.8Confident34 Ų34106.4 Ų106.424%0.23853%0.53CS..  trans-69135.8178.8179.30000109.4M481 K483 V487 T488 Q489M481-S485 PolarHBondContact O-N 3.44Å; K483-S485 PolarHBondContact O-N 2.97Å; S485-V487 PolarHBondContact O-N 3.49Å; S485-V487 VanDerWaalsContact O-N 3.09Å; S485-V487 PolarHBondContact OG-N 3.32Å; S485-T488 PolarHBondContact O-N 2.93Å; S485-T488 VanDerWaalsContact O-N 3.09Å; S485-T488 PolarHBondContact O-OG1 3.26Å; S485-Q489 PolarHBondContact O-N 3.29Å; S485-Q489 VanDerWaalsContact O-N 3.14Å
486P76.5Confident84.7Confident88 Ų88103.9 Ų103.957%0.57153%0.526SS*.Hα-helixtrans-52.9-32.4170.8-26.734.9000111.9Q489 I490P486-Q489 PolarHBondContact O-N 2.94Å; P486-I490 HydrophobicContact CB-CD1 4.49Å; P486-I490 VanDerWaalsContact O-CB 3.23Å; P486-I490 WeakPolarHBondContact O-CB 3.18Å; P486-I490 VanDerWaalsContact O-CD1 3.29Å; P486-I490 WeakPolarHBondContact O-CD1 3.44Å; P486-I490 WeakPolarHBondContact O-CG1 3.31Å; P486-I490 PolarHBondContact O-N 2.81Å
487V79.8Confident84.6Confident107 Ų107102.1 Ų102.165%0.64852%0.523SS*.Hα-helixtrans-68.2-37.4-179.5-176.50000112.6S485 R491S485-V487 PolarHBondContact O-N 3.49Å; S485-V487 VanDerWaalsContact O-N 3.09Å; S485-V487 PolarHBondContact OG-N 3.32Å; V487-R491 WeakPolarHBondContact O-CB 3.49Å; V487-R491 PolarHBondContact O-N 2.96Å; V487-R491 VanDerWaalsContact O-N 3.15Å
488T77.7Confident84.6Confident46 Ų46100 Ų10028%0.28252%0.518SS..Hα-helixtrans-73.6-42175.237.70000111.4M482 K483 S485 I490 R491 E492M482-T488 VanDerWaalsContact O-CG2 3.23Å; M482-T488 WeakPolarHBondContact O-CG2 3.23Å; M482-T488 PolarHBondContact O-OG1 3.12Å; K483-T488 PolarHBondContact O-OG1 2.96Å; S485-T488 PolarHBondContact O-N 2.93Å; S485-T488 VanDerWaalsContact O-N 3.09Å; S485-T488 PolarHBondContact O-OG1 3.26Å; T488-I490 PolarHBondContact O-N 2.72Å; T488-R491 WeakPolarHBondContact O-CB 3.18Å; T488-R491 PolarHBondContact O-N 2.87Å; T488-R491 VanDerWaalsContact O-N 3.12Å; T488-E492 WeakPolarHBondContact O-CG 3.45Å; T488-E492 PolarHBondContact O-N 3.38Å
489Q82.2Confident84.8Confident108 Ų108101 Ų10151%0.50552%0.52SS..Hα-helixtrans-62.5-42.6176.4-67.2175.7-8.400112S485 P486 R491 E492 A493S485-Q489 PolarHBondContact O-N 3.29Å; S485-Q489 VanDerWaalsContact O-N 3.14Å; P486-Q489 PolarHBondContact O-N 2.94Å; Q489-R491 VanDerWaalsContact C-N 3.3Å; Q489-R491 PolarHBondContact O-N 3.48Å; Q489-E492 PolarHBondContact O-N 3.08Å; Q489-A493 WeakPolarHBondContact O-CB 3.43Å; Q489-A493 PolarHBondContact O-N 2.99Å
490I84Confident85.1Confident94 Ų9498.8 Ų98.848%0.48252%0.515SS..Hα-helixtrans-60.5-40.4173.2-73163.3000110.7P486 T488 Q494P486-I490 HydrophobicContact CB-CD1 4.49Å; P486-I490 VanDerWaalsContact O-CB 3.23Å; P486-I490 WeakPolarHBondContact O-CB 3.18Å; P486-I490 VanDerWaalsContact O-CD1 3.29Å; P486-I490 WeakPolarHBondContact O-CD1 3.44Å; P486-I490 WeakPolarHBondContact O-CG1 3.31Å; P486-I490 PolarHBondContact O-N 2.81Å; T488-I490 PolarHBondContact O-N 2.72Å; I490-Q494 HydrophobicContact CG2-CG 4.41Å; I490-Q494 WeakPolarHBondContact O-CB 3.46Å; I490-Q494 WeakPolarHBondContact O-CG 3.4Å; I490-Q494 PolarHBondContact O-N 2.96Å
491R85.1Confident85.3Confident182 Ų182102.6 Ų102.669%0.68752%0.518SS*.Hα-helixtrans-69.1-39.6179.2-172.3-179.8178.4-165.4-1.5112.5V487 T488 Q489 Q494 T495V487-R491 WeakPolarHBondContact O-CB 3.49Å; V487-R491 PolarHBondContact O-N 2.96Å; V487-R491 VanDerWaalsContact O-N 3.15Å; T488-R491 WeakPolarHBondContact O-CB 3.18Å; T488-R491 PolarHBondContact O-N 2.87Å; T488-R491 VanDerWaalsContact O-N 3.12Å; Q489-R491 VanDerWaalsContact C-N 3.3Å; Q489-R491 PolarHBondContact O-N 3.48Å; R491-Q494 PolarHBondContact O-N 3.33Å; R491-T495 PolarHBondContact O-N 3.48Å; R491-T495 PolarHBondContact O-OG1 2.9Å
492E83.9Confident85.7Confident120 Ų120103.9 Ų103.956%0.56152%0.52SS*.Hα-helixtrans-64.5-48.3175-73.4170176.200110.5T488 Q489 Q494 T495 E496T488-E492 WeakPolarHBondContact O-CG 3.45Å; T488-E492 PolarHBondContact O-N 3.38Å; Q489-E492 PolarHBondContact O-N 3.08Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.2Å; E492-T495 WeakPolarHBondContact CA-OG1 3.44Å; E492-T495 PolarHBondContact O-N 2.87Å; E492-T495 PolarHBondContact O-OG1 3.1Å; E492-E496 PolarHBondContact O-N 3.21Å
493A84.8Confident86.6Confident45 Ų45103.3 Ų103.337%0.37252%0.516SS..Hα-helixtrans-60.7-36.2173.800000113Q489 E496 V497Q489-A493 WeakPolarHBondContact O-CB 3.43Å; Q489-A493 PolarHBondContact O-N 2.99Å; A493-E496 PolarHBondContact O-N 3.26Å; A493-V497 WeakPolarHBondContact O-CB 3.44Å; A493-V497 VanDerWaalsContact O-CG2 3.28Å; A493-V497 WeakPolarHBondContact O-CG2 3.42Å; A493-V497 PolarHBondContact O-N 3Å
494Q89.4Confident87.4Confident123 Ų123100.6 Ų100.658%0.57551%0.508SS*.Hα-helixtrans-63.1-40.3172.6-81171.2-8.500112.1I490 R491 E492 E498I490-Q494 HydrophobicContact CG2-CG 4.41Å; I490-Q494 WeakPolarHBondContact O-CB 3.46Å; I490-Q494 WeakPolarHBondContact O-CG 3.4Å; I490-Q494 PolarHBondContact O-N 2.96Å; R491-Q494 PolarHBondContact O-N 3.33Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.2Å; Q494-E498 WeakPolarHBondContact O-CB 3.26Å; Q494-E498 PolarHBondContact O-N 3.46Å
495T89.6Confident88.3Confident83 Ų83102.9 Ų102.951%0.50951%0.511SS..Hα-helixtrans-67.8-39.2175.744.80000112.6R491 E492 E498 E499R491-T495 PolarHBondContact O-N 3.48Å; R491-T495 PolarHBondContact O-OG1 2.9Å; E492-T495 WeakPolarHBondContact CA-OG1 3.44Å; E492-T495 PolarHBondContact O-N 2.87Å; E492-T495 PolarHBondContact O-OG1 3.1Å; T495-E498 PolarHBondContact O-N 2.91Å; T495-E499 WeakPolarHBondContact O-CG 3.22Å; T495-E499 PolarHBondContact O-N 3.46Å
496E92.1Very high88.9Confident130 Ų130102.9 Ų102.961%0.60752%0.516SS*.Hα-helixtrans-63.9-43.2174.4-69.2176.3176.100112E492 A493 E498 E499 L500E492-E496 PolarHBondContact O-N 3.21Å; A493-E496 PolarHBondContact O-N 3.26Å; E496-E498 VanDerWaalsContact C-N 3.27Å; E496-E498 PolarHBondContact O-N 3.44Å; E496-E499 PolarHBondContact O-N 2.96Å; E496-L500 WeakPolarHBondContact O-CB 3.46Å; E496-L500 WeakPolarHBondContact O-CG 3.37Å; E496-L500 PolarHBondContact O-N 3.24Å
497V92.6Very high89.7Confident72 Ų72103.1 Ų103.144%0.43651%0.512SS..Hα-helixtrans-60.4-37.2174.3165.70000111.6A493 R501A493-V497 WeakPolarHBondContact O-CB 3.44Å; A493-V497 VanDerWaalsContact O-CG2 3.28Å; A493-V497 WeakPolarHBondContact O-CG2 3.42Å; A493-V497 PolarHBondContact O-N 3Å; V497-R501 WeakPolarHBondContact O-CB 3.44Å; V497-R501 WeakPolarHBondContact O-CD 3.46Å; V497-R501 WeakPolarHBondContact O-CG 3.3Å; V497-R501 PolarHBondContact O-N 3.09Å
498E94.2Very high90.4Very high104 Ų104106.5 Ų106.549%0.48651%0.513SS..Hα-helixtrans-73.4-34.6178.8-158.964.1-167.300112.8Q494 T495 E496 R501 K502Q494-E498 WeakPolarHBondContact O-CB 3.26Å; Q494-E498 PolarHBondContact O-N 3.46Å; T495-E498 PolarHBondContact O-N 2.91Å; E496-E498 VanDerWaalsContact C-N 3.27Å; E496-E498 PolarHBondContact O-N 3.44Å; E498-R501 WeakPolarHBondContact OE2-CD 3.44Å; E498-K502 WeakPolarHBondContact O-CG 3.33Å; E498-K502 PolarHBondContact O-N 2.98Å
499E94Very high91.2Very high120 Ų120109.9 Ų109.956%0.56152%0.524SS*.Hα-helixtrans-64-50.2170.4-68.1-84.198.300110.9T495 E496 R501 K502 E503T495-E499 WeakPolarHBondContact O-CG 3.22Å; T495-E499 PolarHBondContact O-N 3.46Å; E496-E499 PolarHBondContact O-N 2.96Å; E499-R501 VanDerWaalsContact C-N 3.28Å; E499-R501 PolarHBondContact O-N 3.21Å; E499-K502 WeakPolarHBondContact O-CB 3.39Å; E499-K502 PolarHBondContact O-N 3.31Å; E499-K502 VanDerWaalsContact O-N 3.09Å; E499-K502 IonicContact OE1-NZ 2.86Å; E499-K502 PolarHBondContact OE1-NZ 2.95Å; E499-E503 PolarHBondContact O-N 3.46Å
500L93.9Very high91.8Very high95 Ų95111.3 Ų111.350%0.49753%0.528SS..Hα-helixtrans-61.5-34.3177.6-70.8170.3000112.3E496 E503 I504E496-L500 WeakPolarHBondContact O-CB 3.46Å; E496-L500 WeakPolarHBondContact O-CG 3.37Å; E496-L500 PolarHBondContact O-N 3.24Å; L500-E503 PolarHBondContact O-N 3.45Å; L500-I504 WeakPolarHBondContact O-CB 3.22Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.41Å; L500-I504 PolarHBondContact O-N 3.38Å
501R94.3Very high92.3Very high154 Ų154110.6 Ų110.658%0.58153%0.528SS*.Hα-helixtrans-60.4-46.6172.2-81.3167.3179.9-82.6-2.1111.9V497 E498 E499 E503 I504 E505V497-R501 WeakPolarHBondContact O-CB 3.44Å; V497-R501 WeakPolarHBondContact O-CD 3.46Å; V497-R501 WeakPolarHBondContact O-CG 3.3Å; V497-R501 PolarHBondContact O-N 3.09Å; E498-R501 WeakPolarHBondContact OE2-CD 3.44Å; E499-R501 VanDerWaalsContact C-N 3.28Å; E499-R501 PolarHBondContact O-N 3.21Å; R501-E503 VanDerWaalsContact C-N 3.32Å; R501-E503 PolarHBondContact O-N 3.16Å; R501-I504 PolarHBondContact O-N 2.9Å; R501-E505 WeakPolarHBondContact O-CB 3.34Å; R501-E505 PolarHBondContact O-N 3.1Å
502K94.5Very high92.7Very high124 Ų124107.2 Ų107.254%0.53952%0.52SS..Hα-helixtrans-62.5-40.2176.2-63.1167.6-160.5161.70111.5E498 E499 E505 G506E498-K502 WeakPolarHBondContact O-CG 3.33Å; E498-K502 PolarHBondContact O-N 2.98Å; E499-K502 WeakPolarHBondContact O-CB 3.39Å; E499-K502 PolarHBondContact O-N 3.31Å; E499-K502 VanDerWaalsContact O-N 3.09Å; E499-K502 IonicContact OE1-NZ 2.86Å; E499-K502 PolarHBondContact OE1-NZ 2.95Å; K502-E505 PolarHBondContact O-N 2.72Å; K502-G506 PolarHBondContact O-N 3.49Å
503E95.8Very high93.1Very high121 Ų121106.9 Ų106.957%0.56552%0.519SS*.Hα-helixtrans-65.8-47.2178.1-173.1172.8-159.800111.7E499 L500 R501 E505 G506 L507E499-E503 PolarHBondContact O-N 3.46Å; L500-E503 PolarHBondContact O-N 3.45Å; R501-E503 VanDerWaalsContact C-N 3.32Å; R501-E503 PolarHBondContact O-N 3.16Å; E503-E505 VanDerWaalsContact C-N 3.28Å; E503-E505 PolarHBondContact O-N 2.88Å; E503-G506 WeakPolarHBondContact O-CA 3.28Å; E503-G506 PolarHBondContact O-N 2.8Å; E503-G506 VanDerWaalsContact O-N 3.12Å; E503-L507 HydrophobicContact CG-CD1 4.43Å; E503-L507 WeakPolarHBondContact O-CG 3.34Å; E503-L507 PolarHBondContact O-N 3.39Å
504I94.4Very high93.5Very high93 Ų93107.4 Ų107.448%0.47752%0.523SS..Hα-helixtrans-58.5-40.2174.4-70.9166000111L500 R501 L507 R508L500-I504 WeakPolarHBondContact O-CB 3.22Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.41Å; L500-I504 PolarHBondContact O-N 3.38Å; R501-I504 PolarHBondContact O-N 2.9Å; I504-L507 PolarHBondContact O-N 2.92Å; I504-R508 WeakPolarHBondContact O-CB 3.49Å; I504-R508 WeakPolarHBondContact O-CG 3.39Å; I504-R508 PolarHBondContact O-N 2.84Å
505E94.7Very high93.7Very high118 Ų118106.8 Ų106.855%0.55152%0.52SS*.Hα-helixtrans-69-36.3176.5-174.7144.7-161.500112.6R501 K502 E503 R508 K509R501-E505 WeakPolarHBondContact O-CB 3.34Å; R501-E505 PolarHBondContact O-N 3.1Å; K502-E505 PolarHBondContact O-N 2.72Å; E503-E505 VanDerWaalsContact C-N 3.28Å; E503-E505 PolarHBondContact O-N 2.88Å; E505-R508 PolarHBondContact O-N 3.47Å; E505-K509 WeakPolarHBondContact O-CG 3.45Å; E505-K509 PolarHBondContact O-N 3.36Å; E505-K509 VanDerWaalsContact O-N 3.1Å
506G94.1Very high93.9Very high33 Ų33108.7 Ų108.734%0.3452%0.521SS..Hα-helixtrans-62.2-42.4169.500000112.9K502 E503 K509 K510K502-G506 PolarHBondContact O-N 3.49Å; E503-G506 WeakPolarHBondContact O-CA 3.28Å; E503-G506 PolarHBondContact O-N 2.8Å; E503-G506 VanDerWaalsContact O-N 3.12Å; G506-K509 PolarHBondContact O-N 2.74Å; G506-K510 PolarHBondContact O-N 3.43Å
507L93.8Very high94Very high93 Ų93108.1 Ų108.149%0.48752%0.522SS..Hα-helixtrans-66.3-41.3175.1-69.8172.7000111.9E503 I504 K509 K510 V511E503-L507 HydrophobicContact CG-CD1 4.43Å; E503-L507 WeakPolarHBondContact O-CG 3.34Å; E503-L507 PolarHBondContact O-N 3.39Å; I504-L507 PolarHBondContact O-N 2.92Å; L507-K509 VanDerWaalsContact C-N 3.31Å; L507-K509 PolarHBondContact O-N 3.28Å; L507-K510 WeakPolarHBondContact O-CB 3.47Å; L507-K510 PolarHBondContact O-N 2.93Å; L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 2.83Å
508R93.9Very high94Very high179 Ų179109.8 Ų109.868%0.67553%0.525SS*.Hα-helixtrans-59.1-39.7174.7-79.1178.4173.2-145.4-3.4112.7I504 E505 V511 Q512I504-R508 WeakPolarHBondContact O-CB 3.49Å; I504-R508 WeakPolarHBondContact O-CG 3.39Å; I504-R508 PolarHBondContact O-N 2.84Å; E505-R508 PolarHBondContact O-N 3.47Å; R508-V511 PolarHBondContact O-N 2.94Å; R508-Q512 PolarHBondContact O-N 3Å
509K94.3Very high94Very high116 Ų116111 Ų11150%0.50453%0.531SS..Hα-helixtrans-62.9-45.3174.4-72.5172.7-177.31750111.7E505 G506 L507 V511 Q512 E513E505-K509 WeakPolarHBondContact O-CG 3.45Å; E505-K509 PolarHBondContact O-N 3.36Å; E505-K509 VanDerWaalsContact O-N 3.1Å; G506-K509 PolarHBondContact O-N 2.74Å; L507-K509 VanDerWaalsContact C-N 3.31Å; L507-K509 PolarHBondContact O-N 3.28Å; K509-V511 VanDerWaalsContact C-N 3.3Å; K509-V511 PolarHBondContact O-N 3.17Å; K509-Q512 PolarHBondContact O-N 3.27Å; K509-E513 WeakPolarHBondContact O-CG 3.3Å; K509-E513 PolarHBondContact O-N 3.46Å
510K93.8Very high93.9Very high138 Ų138110.2 Ų110.260%0.653%0.53SS*.Hα-helixtrans-60.8-36.7174.4-69.6178.7178.3179.40112.9G506 L507 E513 A514G506-K510 PolarHBondContact O-N 3.43Å; L507-K510 WeakPolarHBondContact O-CB 3.47Å; L507-K510 PolarHBondContact O-N 2.93Å; K510-E513 PolarHBondContact O-N 3.19Å; K510-A514 WeakPolarHBondContact O-CB 3.31Å; K510-A514 PolarHBondContact O-N 2.97Å
511V94.6Very high93.9Very high79 Ų79108 Ų10848%0.47952%0.522SS..Hα-helixtrans-64.8-46.8173.9171.80000110.8L507 R508 K509 E513 A514 E515L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 2.83Å; R508-V511 PolarHBondContact O-N 2.94Å; K509-V511 VanDerWaalsContact C-N 3.3Å; K509-V511 PolarHBondContact O-N 3.17Å; V511-E513 VanDerWaalsContact C-N 3.29Å; V511-E513 PolarHBondContact O-N 3.06Å; V511-A514 WeakPolarHBondContact O-CB 3.14Å; V511-A514 PolarHBondContact O-N 3.3Å; V511-A514 VanDerWaalsContact O-N 3.12Å; V511-E515 HydrophobicContact CG1-CG 4.41Å; V511-E515 WeakPolarHBondContact O-CG 3.48Å; V511-E515 PolarHBondContact O-N 3.04Å
512Q93.4Very high93.8Very high111 Ų111104.1 Ų104.152%0.51951%0.513SS..Hα-helixtrans-62.5-33.5174.9-75.6-171.8-29.900113.6R508 K509 K516R508-Q512 PolarHBondContact O-N 3Å; K509-Q512 PolarHBondContact O-N 3.27Å; Q512-K516 VanDerWaalsContact O-CG 3.3Å; Q512-K516 WeakPolarHBondContact O-CG 3.35Å; Q512-K516 PolarHBondContact O-N 3.17Å; Q512-K516 VanDerWaalsContact O-N 3.15Å
513E93.8Very high93.7Very high114 Ų114104 Ų10453%0.53352%0.516SS..Hα-helixtrans-66.9-42.1172.7-72.9164.8-172.400111.2K509 K510 V511 K516 L517K509-E513 WeakPolarHBondContact O-CG 3.3Å; K509-E513 PolarHBondContact O-N 3.46Å; K510-E513 PolarHBondContact O-N 3.19Å; V511-E513 VanDerWaalsContact C-N 3.29Å; V511-E513 PolarHBondContact O-N 3.06Å; E513-K516 PolarHBondContact O-N 3.28Å; E513-L517 WeakPolarHBondContact O-CG 3.43Å; E513-L517 PolarHBondContact O-N 3.3Å
514A92.3Very high93.6Very high56 Ų56104.3 Ų104.346%0.46352%0.52SS..Hα-helixtrans-66.2-39.117500000112.8K510 V511 L517 Q518K510-A514 WeakPolarHBondContact O-CB 3.31Å; K510-A514 PolarHBondContact O-N 2.97Å; V511-A514 WeakPolarHBondContact O-CB 3.14Å; V511-A514 PolarHBondContact O-N 3.3Å; V511-A514 VanDerWaalsContact O-N 3.12Å; A514-L517 PolarHBondContact O-N 2.9Å; A514-Q518 PolarHBondContact O-N 2.96Å
515E93.5Very high93.5Very high109 Ų109104.7 Ų104.751%0.50952%0.52SS..Hα-helixtrans-60-46.6174.1-73.8168.8167.600111.2V511 L517 Q518 E519V511-E515 HydrophobicContact CG1-CG 4.41Å; V511-E515 WeakPolarHBondContact O-CG 3.48Å; V511-E515 PolarHBondContact O-N 3.04Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 3.33Å; E515-Q518 WeakPolarHBondContact O-CB 3.44Å; E515-Q518 PolarHBondContact O-N 3.35Å; E515-Q518 VanDerWaalsContact O-N 3.11Å; E515-E519 PolarHBondContact O-N 2.82Å
516K94.1Very high93.3Very high123 Ų123105.2 Ų105.254%0.53552%0.523SS..Hα-helixtrans-62.7-38.6175-70.8167.8-175.1173.50112.9Q512 E513 Q518 E519 L520Q512-K516 VanDerWaalsContact O-CG 3.3Å; Q512-K516 WeakPolarHBondContact O-CG 3.35Å; Q512-K516 PolarHBondContact O-N 3.17Å; Q512-K516 VanDerWaalsContact O-N 3.15Å; E513-K516 PolarHBondContact O-N 3.28Å; K516-Q518 VanDerWaalsContact C-N 3.31Å; K516-E519 PolarHBondContact O-N 2.88Å; K516-L520 WeakPolarHBondContact O-CG 3.49Å; K516-L520 PolarHBondContact O-N 3.45Å
517L93.5Very high93.2Very high118 Ų118107.1 Ų107.162%0.61853%0.531SS*.Hα-helixtrans-65.9-35.2173.9-73.1170.8000111.6E513 A514 E515 S521E513-L517 WeakPolarHBondContact O-CG 3.43Å; E513-L517 PolarHBondContact O-N 3.3Å; A514-L517 PolarHBondContact O-N 2.9Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 3.33Å; L517-S521 VanDerWaalsContact O-CB 3.31Å; L517-S521 WeakPolarHBondContact O-CB 3.43Å; L517-S521 PolarHBondContact O-N 3.01Å
518Q93.2Very high93.1Very high107 Ų107108.5 Ų108.550%0.554%0.535SS..Hα-helixtrans-67.8-41.6174-172.862.35200111.8A514 E515 K516 S521 N522A514-Q518 PolarHBondContact O-N 2.96Å; E515-Q518 WeakPolarHBondContact O-CB 3.44Å; E515-Q518 PolarHBondContact O-N 3.35Å; E515-Q518 VanDerWaalsContact O-N 3.11Å; K516-Q518 VanDerWaalsContact C-N 3.31Å; Q518-S521 WeakPolarHBondContact O-CB 3.35Å; Q518-S521 PolarHBondContact O-N 3.26Å; Q518-N522 PolarHBondContact NE2-OD1 2.76Å; Q518-N522 WeakPolarHBondContact O-CB 3.15Å; Q518-N522 PolarHBondContact O-N 3.04Å; Q518-N522 PolarHBondContact O-OD1 3.18Å
519E93.6Very high92.9Very high130 Ų130108.3 Ų108.361%0.60753%0.534SS*.Hα-helixtrans-60-46.5173.2-72178.516300111.8E515 K516 S521 N522 M523E515-E519 PolarHBondContact O-N 2.82Å; K516-E519 PolarHBondContact O-N 2.88Å; E519-S521 VanDerWaalsContact C-N 3.34Å; E519-S521 PolarHBondContact O-N 3.11Å; E519-N522 PolarHBondContact O-N 3.36Å; E519-M523 PolarHBondContact O-N 2.95Å
520L93.2Very high92.7Very high103 Ų103106.3 Ų106.354%0.53953%0.534SS..Hα-helixtrans-61.5-40.8175.1-74167.8000112.3K516 M523 L524K516-L520 WeakPolarHBondContact O-CG 3.49Å; K516-L520 PolarHBondContact O-N 3.45Å; L520-M523 HydrophobicContact CD2-CE 4.18Å; L520-M523 PolarHBondContact O-N 3.38Å; L520-L524 WeakPolarHBondContact O-CB 3.37Å; L520-L524 PolarHBondContact O-N 3.01Å
521S93.2Very high92.6Very high48 Ų48104.3 Ų104.334%0.33653%0.53SS..Hα-helixtrans-62.9-43.3174.9-172.20000111.7L517 Q518 E519 L524 Q525L517-S521 VanDerWaalsContact O-CB 3.31Å; L517-S521 WeakPolarHBondContact O-CB 3.43Å; L517-S521 PolarHBondContact O-N 3.01Å; Q518-S521 WeakPolarHBondContact O-CB 3.35Å; Q518-S521 PolarHBondContact O-N 3.26Å; E519-S521 VanDerWaalsContact C-N 3.34Å; E519-S521 PolarHBondContact O-N 3.11Å; S521-L524 PolarHBondContact O-N 2.81Å; S521-Q525 WeakPolarHBondContact O-CG 3.49Å; S521-Q525 PolarHBondContact O-N 3.39Å
522N92.8Very high92.3Very high73 Ų73103.2 Ų103.239%0.3952%0.523SS..Hα-helixtrans-62.4-47.9176-67.6-8.8000111.2Q518 E519 L524 Q525 E526Q518-N522 PolarHBondContact NE2-OD1 2.76Å; Q518-N522 WeakPolarHBondContact O-CB 3.15Å; Q518-N522 PolarHBondContact O-N 3.04Å; Q518-N522 PolarHBondContact O-OD1 3.18Å; E519-N522 PolarHBondContact O-N 3.36Å; N522-L524 VanDerWaalsContact C-N 3.3Å; N522-L524 PolarHBondContact O-N 2.89Å; N522-Q525 PolarHBondContact O-N 3.32Å; N522-Q525 VanDerWaalsContact O-N 3.15Å; N522-E526 PolarHBondContact O-N 3.11Å
523M92.6Very high92Very high123 Ų123100.6 Ų100.661%0.60652%0.52SS*.Hα-helixtrans-61.2-37.5176-70.1-152.2-56.200112.5E519 L520 E526 S527E519-M523 PolarHBondContact O-N 2.95Å; L520-M523 HydrophobicContact CD2-CE 4.18Å; L520-M523 PolarHBondContact O-N 3.38Å; M523-E526 PolarHBondContact O-N 3.22Å; M523-S527 VanDerWaalsContact O-CB 3.3Å; M523-S527 WeakPolarHBondContact O-CB 3.41Å; M523-S527 PolarHBondContact O-N 3.02Å
524L92.9Very high91.7Very high126 Ų12698.5 Ų98.566%0.6652%0.515SS*.Hα-helixtrans-67-39.1175.4-173.166.4000111.6L520 S521 N522 H528L520-L524 WeakPolarHBondContact O-CB 3.37Å; L520-L524 PolarHBondContact O-N 3.01Å; S521-L524 PolarHBondContact O-N 2.81Å; N522-L524 VanDerWaalsContact C-N 3.3Å; N522-L524 PolarHBondContact O-N 2.89Å; L524-H528 WeakPolarHBondContact O-CB 3.49Å; L524-H528 PolarHBondContact O-N 2.9Å
525Q92.1Very high91.4Very high101 Ų10199.5 Ų99.547%0.47251%0.513SS..Hα-helixtrans-66-40.3173.8-74.8-172.75.800112.5S521 N522 H528 R529S521-Q525 WeakPolarHBondContact O-CG 3.49Å; S521-Q525 PolarHBondContact O-N 3.39Å; N522-Q525 PolarHBondContact O-N 3.32Å; N522-Q525 VanDerWaalsContact O-N 3.15Å; Q525-H528 PolarHBondContact O-N 2.98Å; Q525-R529 WeakPolarHBondContact O-CB 3.4Å; Q525-R529 WeakPolarHBondContact O-CG 3.33Å; Q525-R529 PolarHBondContact O-N 3.3Å
526E91.7Very high91.1Very high129 Ų129100.6 Ų100.660%0.60352%0.518SS*.Hα-helixtrans-66.2-43.7175.2-73.2-175.9166.400111.7N522 M523 H528 R529 S530N522-E526 PolarHBondContact O-N 3.11Å; M523-E526 PolarHBondContact O-N 3.22Å; E526-H528 PolarHBondContact O-N 2.93Å; E526-R529 PolarHBondContact O-N 3.3Å; E526-S530 WeakPolarHBondContact O-CB 3.34Å; E526-S530 PolarHBondContact O-N 3.18Å
527S91.2Very high90.5Very high73 Ų7398.1 Ų98.151%0.5152%0.515SS..Hα-helixtrans-58.7-46172.5-179.80000111.6M523 S530 L531M523-S527 VanDerWaalsContact O-CB 3.3Å; M523-S527 WeakPolarHBondContact O-CB 3.41Å; M523-S527 PolarHBondContact O-N 3.02Å; S527-S530 PolarHBondContact O-N 3.29Å; S527-L531 WeakPolarHBondContact O-CB 3.29Å; S527-L531 PolarHBondContact O-N 3.49Å
528H90.8Very high90Very high123 Ų12396.9 Ų96.957%0.56951%0.509SS*.Hα-helixtrans-63.3-43175.8-174.7-78.2000112.3L524 Q525 E526 S530 L531 V532L524-H528 WeakPolarHBondContact O-CB 3.49Å; L524-H528 PolarHBondContact O-N 2.9Å; Q525-H528 PolarHBondContact O-N 2.98Å; E526-H528 PolarHBondContact O-N 2.93Å; H528-S530 VanDerWaalsContact C-N 3.35Å; H528-L531 PolarHBondContact O-N 3.03Å; H528-V532 VanDerWaalsContact CE1-CG2 3.48Å; H528-V532 WeakPolarHBondContact CE1-CG2 3.46Å; H528-V532 WeakPolarHBondContact O-CB 3.47Å; H528-V532 VanDerWaalsContact O-CG2 3.32Å; H528-V532 WeakPolarHBondContact O-CG2 3.39Å; H528-V532 PolarHBondContact O-N 3.45Å
529R91.4Very high89.4Confident174 Ų17496.1 Ų96.166%0.65751%0.508SS*.Hα-helixtrans-60.6-44.1174.5-78.5176.6178.9171.42.5111.6Q525 E526 A533Q525-R529 WeakPolarHBondContact O-CB 3.4Å; Q525-R529 WeakPolarHBondContact O-CG 3.33Å; Q525-R529 PolarHBondContact O-N 3.3Å; E526-R529 PolarHBondContact O-N 3.3Å; R529-A533 WeakPolarHBondContact O-CB 3.38Å; R529-A533 PolarHBondContact O-N 3.11Å
530S90Very high88.7Confident74 Ų7492.2 Ų92.252%0.51750%0.498SS..Hα-helixtrans-62.8-43.2176.7-1760000111.5E526 S527 H528 A533 T534E526-S530 WeakPolarHBondContact O-CB 3.34Å; E526-S530 PolarHBondContact O-N 3.18Å; S527-S530 PolarHBondContact O-N 3.29Å; H528-S530 VanDerWaalsContact C-N 3.35Å; S530-A533 PolarHBondContact O-N 3.28Å; S530-T534 PolarHBondContact O-N 3.42Å; S530-T534 PolarHBondContact O-OG1 3.33Å
531L90.4Very high88.1Confident96 Ų9692.6 Ų92.650%0.50350%0.497SS..Hα-helixtrans-69.9-36.9-179.5-167.9139.6000112.7S527 H528 T534 N535S527-L531 WeakPolarHBondContact O-CB 3.29Å; S527-L531 PolarHBondContact O-N 3.49Å; H528-L531 PolarHBondContact O-N 3.03Å; L531-T534 WeakPolarHBondContact CA-OG1 3.24Å; L531-T534 PolarHBondContact O-OG1 3.2Å; L531-N535 WeakPolarHBondContact CD2-ND2 3.42Å; L531-N535 WeakPolarHBondContact O-CB 3.44Å; L531-N535 PolarHBondContact O-N 3.14Å; L531-N535 PolarHBondContact O-ND2 2.78Å
532V89.6Confident87.2Confident57 Ų5795.9 Ų95.935%0.34551%0.51SS..Hα-helixtrans-62.6-47.8169.6170.10000110.4H528 T534 N535 E536H528-V532 VanDerWaalsContact CE1-CG2 3.48Å; H528-V532 WeakPolarHBondContact CE1-CG2 3.46Å; H528-V532 WeakPolarHBondContact O-CB 3.47Å; H528-V532 VanDerWaalsContact O-CG2 3.32Å; H528-V532 WeakPolarHBondContact O-CG2 3.39Å; H528-V532 PolarHBondContact O-N 3.45Å; V532-T534 PolarHBondContact O-N 2.99Å; V532-N535 PolarHBondContact O-N 2.84Å; V532-N535 VanDerWaalsContact O-N 3.14Å; V532-E536 HydrophobicContact CG1-CG 4.42Å; V532-E536 PolarHBondContact O-N 3.49Å
533A87.2Confident86.4Confident55 Ų55100.8 Ų100.846%0.45552%0.523SS..Hα-helixtrans-61.3-40.1178.700000112.8R529 S530 E536 C537R529-A533 WeakPolarHBondContact O-CB 3.38Å; R529-A533 PolarHBondContact O-N 3.11Å; S530-A533 PolarHBondContact O-N 3.28Å; A533-E536 PolarHBondContact O-N 3.34Å; A533-C537 PolarHBondContact O-N 2.85Å
534T86.8Confident85.3Confident70 Ų7099 Ų9943%0.42952%0.519SS..Hα-helixtrans-66.4-38.9173.749.70000112.2S530 L531 V532 C537 L538S530-T534 PolarHBondContact O-N 3.42Å; S530-T534 PolarHBondContact O-OG1 3.33Å; L531-T534 WeakPolarHBondContact CA-OG1 3.24Å; L531-T534 PolarHBondContact O-OG1 3.2Å; V532-T534 PolarHBondContact O-N 2.99Å; T534-C537 PolarHBondContact O-N 2.88Å; T534-L538 WeakPolarHBondContact O-CG 3.41Å; T534-L538 PolarHBondContact O-N 3.1Å
535N85.9Confident83.9Confident77 Ų7796 Ų9641%0.41251%0.513SS..Hα-helixtrans-67.6-39.1176.8-73.8-15.9000112L531 V532 C537 L538 L539L531-N535 WeakPolarHBondContact CD2-ND2 3.42Å; L531-N535 WeakPolarHBondContact O-CB 3.44Å; L531-N535 PolarHBondContact O-N 3.14Å; L531-N535 PolarHBondContact O-ND2 2.78Å; V532-N535 PolarHBondContact O-N 2.84Å; V532-N535 VanDerWaalsContact O-N 3.14Å; N535-C537 VanDerWaalsContact C-N 3.34Å; N535-L538 PolarHBondContact O-N 3.44Å; N535-L539 WeakPolarHBondContact O-CB 3.32Å; N535-L539 VanDerWaalsContact O-CG 3.24Å; N535-L539 WeakPolarHBondContact O-CG 3.42Å; N535-L539 PolarHBondContact O-N 3.37Å
536E86.4Confident82.4Confident133 Ų13395.1 Ų95.162%0.62152%0.523SS*.Hα-helixtrans-63.6-39.2173.1-73.4-171.6158.600111.8V532 A533 L539 A540V532-E536 HydrophobicContact CG1-CG 4.42Å; V532-E536 PolarHBondContact O-N 3.49Å; A533-E536 PolarHBondContact O-N 3.34Å; E536-L539 PolarHBondContact O-N 2.88Å; E536-A540 PolarHBondContact O-N 3.04Å
537C82.3Confident80.8Confident70 Ų7096.5 Ų96.547%0.47353%0.529SS..Hα-helixtrans-64-47.8174.6-162.30000111.9A533 T534 N535 L539 A540 E541A533-C537 PolarHBondContact O-N 2.85Å; T534-C537 PolarHBondContact O-N 2.88Å; N535-C537 VanDerWaalsContact C-N 3.34Å; C537-L539 VanDerWaalsContact C-N 3.29Å; C537-L539 PolarHBondContact O-N 3.06Å; C537-A540 WeakPolarHBondContact O-CB 3.45Å; C537-A540 PolarHBondContact O-N 3.13Å; C537-A540 VanDerWaalsContact O-N 3.08Å; C537-E541 PolarHBondContact O-N 3.35Å
538L82.3Confident78.9Confident92 Ų92104 Ų10448%0.48256%0.556SS.*Hα-helixtrans-62.7-35.5176.8-71169.1000112.2T534 N535 E541 L542T534-L538 WeakPolarHBondContact O-CG 3.41Å; T534-L538 PolarHBondContact O-N 3.1Å; N535-L538 PolarHBondContact O-N 3.44Å; L538-E541 PolarHBondContact O-N 3.25Å; L538-L542 WeakPolarHBondContact O-CB 3.38Å; L538-L542 VanDerWaalsContact O-CG 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.28Å; L538-L542 PolarHBondContact O-N 3.38Å
539L81.4Confident78.3Confident91 Ų91103.1 Ų103.148%0.47656%0.555SS.*Hα-helixtrans-68.9-32.3173.3-76169.9000112.5N535 E536 C537 R543N535-L539 WeakPolarHBondContact O-CB 3.32Å; N535-L539 VanDerWaalsContact O-CG 3.24Å; N535-L539 WeakPolarHBondContact O-CG 3.42Å; N535-L539 PolarHBondContact O-N 3.37Å; E536-L539 PolarHBondContact O-N 2.88Å; C537-L539 VanDerWaalsContact C-N 3.29Å; C537-L539 PolarHBondContact O-N 3.06Å; L539-R543 VanDerWaalsContact O-CG 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.43Å; L539-R543 PolarHBondContact O-N 2.63Å; L539-R543 VanDerWaalsContact O-N 3.1Å
540A79.5Confident77.6Confident49 Ų4999.4 Ų99.441%0.40555%0.55SS..Hα-helixtrans-68.2-45.6171.700000111.2E536 C537 L542 R543 T544E536-A540 PolarHBondContact O-N 3.04Å; C537-A540 WeakPolarHBondContact O-CB 3.45Å; C537-A540 PolarHBondContact O-N 3.13Å; C537-A540 VanDerWaalsContact O-N 3.08Å; A540-L542 PolarHBondContact O-N 2.69Å; A540-R543 WeakPolarHBondContact O-CB 3.13Å; A540-R543 PolarHBondContact O-N 3.01Å; A540-T544 PolarHBondContact O-N 3.17Å; A540-T544 PolarHBondContact O-OG1 3.38Å
541E79.1Confident76.9Confident110 Ų110100.8 Ų100.851%0.51455%0.552SS.*Hα-helixtrans-59-45.9175-71.1175.1-172.700111.9C537 L538 R543 T544 A545C537-E541 PolarHBondContact O-N 3.35Å; L538-E541 PolarHBondContact O-N 3.25Å; E541-R543 VanDerWaalsContact C-N 3.32Å; E541-R543 PolarHBondContact O-N 2.97Å; E541-T544 WeakPolarHBondContact CA-OG1 3.49Å; E541-T544 PolarHBondContact O-N 3.49Å; E541-T544 PolarHBondContact O-OG1 3.2Å; E541-A545 WeakPolarHBondContact O-CB 3.38Å; E541-A545 PolarHBondContact O-N 3.17Å
542L75.8Confident76.2Confident117 Ų117101.1 Ų101.161%0.61356%0.555SS**Hα-helixtrans-63.6-33.6176.2-75.7171.8000113.2L538 A540 A545 A546L538-L542 WeakPolarHBondContact O-CB 3.38Å; L538-L542 VanDerWaalsContact O-CG 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.28Å; L538-L542 PolarHBondContact O-N 3.38Å; A540-L542 PolarHBondContact O-N 2.69Å; L542-A545 PolarHBondContact O-N 2.99Å; L542-A546 PolarHBondContact O-N 3.09Å
543R75.2Confident75.3Confident176 Ų176103.8 Ų103.866%0.66457%0.568SS**Hα-helixtrans-66.6-46.2172.7-76.7169.7-178.6165.72.7111L539 A540 E541 A545 A546 E547L539-R543 VanDerWaalsContact O-CG 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.43Å; L539-R543 PolarHBondContact O-N 2.63Å; L539-R543 VanDerWaalsContact O-N 3.1Å; A540-R543 WeakPolarHBondContact O-CB 3.13Å; A540-R543 PolarHBondContact O-N 3.01Å; E541-R543 VanDerWaalsContact C-N 3.32Å; E541-R543 PolarHBondContact O-N 2.97Å; R543-A545 VanDerWaalsContact C-N 3.26Å; R543-A545 PolarHBondContact O-N 3.48Å; R543-A546 PolarHBondContact O-N 3.43Å; R543-A546 VanDerWaalsContact O-N 3.1Å; R543-E547 PolarHBondContact O-N 3.35Å
544T70.2Confident74.5Confident86 Ų86107.1 Ų107.153%0.52858%0.575SS.*Hα-helixtrans-64.3-30.2175.852.60000113.1A540 E541 A546A540-T544 PolarHBondContact O-N 3.17Å; A540-T544 PolarHBondContact O-OG1 3.38Å; E541-T544 WeakPolarHBondContact CA-OG1 3.49Å; E541-T544 PolarHBondContact O-N 3.49Å; E541-T544 PolarHBondContact O-OG1 3.2Å; T544-A546 VanDerWaalsContact C-N 3.33Å
545A63.6Low73.6Confident64 Ų64109.7 Ų109.753%0.52959%0.586SS.*Hα-helixtrans-76.6-15.8175.300000114E541 L542 R543E541-A545 WeakPolarHBondContact O-CB 3.38Å; E541-A545 PolarHBondContact O-N 3.17Å; L542-A545 PolarHBondContact O-N 2.99Å; R543-A545 VanDerWaalsContact C-N 3.26Å; R543-A545 PolarHBondContact O-N 3.48Å
546A60.1Low72.7Confident81 Ų81112.2 Ų112.267%0.66960%0.599SS**THydrogen-bonded Turntrans-93-2.117600000113.4L542 R543 T544L542-A546 PolarHBondContact O-N 3.09Å; R543-A546 PolarHBondContact O-N 3.43Å; R543-A546 VanDerWaalsContact O-N 3.1Å; T544-A546 VanDerWaalsContact C-N 3.33Å
547E57.6Low71.6Confident159 Ų159110.5 Ų110.574%0.74360%0.597SS**  trans-100.715.4176.2-67.3178.2168.600112.3R543R543-E547 PolarHBondContact O-N 3.35Å
548H51.8Low70.6Confident231 Ų231114.2 Ų114.2100%1.06961%0.608SS**  trans-123.50174.4-75.2-22.8000111.3

Retrieved 548 of 548 residues in 189.5 ms (Link to these results)

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