X2JD70_DROME Loading...

Troponin C at 25D, isoform B

AlphaFold DB , UniProt , Accession X2JD70, Species DROME (Drosophila melanogaster, Fruit fly), Gene TpnC25D, Length 143 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
1M51.9Low73.5Confident208 Ų208102.6 Ų102.6100%1.02549%0.488SS*.  0-25.40-78.1-158.8-167.900115.2I3M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.06Å
2D62.7Low74.4Confident118 Ų11895.4 Ų95.463%0.63145%0.454SS*.Hα-helixtrans-64.3-25.3-178.4-70.5-92.9000115.7K6D2-K6 VanDerWaalsContact O-CG 3.3Å; D2-K6 WeakPolarHBondContact O-CG 3.47Å; D2-K6 PolarHBondContact O-N 2.75Å; D2-K6 VanDerWaalsContact O-N 3.13Å
3I68.1Low74.7Confident131 Ų13196.8 Ų96.867%0.67247%0.473SS*.Hα-helixtrans-69.4-47.2-178.5-61170.3000110.6M1 R5 K6 A7M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.06Å; I3-R5 VanDerWaalsContact C-N 3.33Å; I3-R5 PolarHBondContact O-N 2.9Å; I3-K6 PolarHBondContact O-N 3.27Å; I3-A7 WeakPolarHBondContact O-CB 3.39Å; I3-A7 PolarHBondContact O-N 3.43Å
4M71Confident75.2Confident42 Ų42101.4 Ų101.421%0.20749%0.493CS..Hα-helixtrans-61-40.8177.7-71.3169.5169.100112.1A7 F8 F60 A64 A65 L68M4-A7 PolarHBondContact O-N 3.3Å; M4-F8 WeakPolarHBondContact O-CB 3.17Å; M4-F8 PolarHBondContact O-N 2.97Å; M4-F60 HydrophobicContact CB-CE1 4.32Å; M4-A64 HydrophobicContact CE-CB 4.31Å; M4-A65 HydrophobicContact CE-CB 4.38Å; M4-L68 HydrophobicContact CE-CD1 3.64Å; M4-L68 HydrophobicContact CG-CD1 4.49Å
5R74.9Confident75.6Confident150 Ų150107.1 Ų107.157%0.56651%0.514SS*.Hα-helixtrans-65.8-38.7176.9-168.3179.6178.8118.9-0.5112.4I3 Q9 F57I3-R5 VanDerWaalsContact C-N 3.33Å; I3-R5 PolarHBondContact O-N 2.9Å; R5-Q9 WeakPolarHBondContact O-CB 3.25Å; R5-Q9 VanDerWaalsContact O-CG 3.25Å; R5-Q9 WeakPolarHBondContact O-CG 3.33Å; R5-Q9 PolarHBondContact O-N 2.87Å; R5-Q9 VanDerWaalsContact O-N 3.09Å; R5-F57 HydrophobicContact CB-CE2 4.24Å; R5-F57 HydrophobicContact CB-CZ 4.16Å
6K76.3Confident76.1Confident130 Ų130105.1 Ų105.157%0.56551%0.511SS*.Hα-helixtrans-68.5-44.2175.1-74.8172.8-177174.70111.5D2 I3 Q9 M10D2-K6 VanDerWaalsContact O-CG 3.3Å; D2-K6 WeakPolarHBondContact O-CG 3.47Å; D2-K6 PolarHBondContact O-N 2.75Å; D2-K6 VanDerWaalsContact O-N 3.13Å; I3-K6 PolarHBondContact O-N 3.27Å; K6-Q9 PolarHBondContact O-N 2.91Å; K6-M10 WeakPolarHBondContact O-CG 3.29Å; K6-M10 PolarHBondContact O-N 3.24Å
7A77.3Confident76.5Confident15 Ų15100.9 Ų100.912%0.12450%0.501CS..Hα-helixtrans-58.1-52.6174.700000110I3 M4 Q9 M10 F11 F60I3-A7 WeakPolarHBondContact O-CB 3.39Å; I3-A7 PolarHBondContact O-N 3.43Å; M4-A7 PolarHBondContact O-N 3.3Å; A7-Q9 VanDerWaalsContact C-N 3.29Å; A7-Q9 PolarHBondContact O-N 3.04Å; A7-M10 WeakPolarHBondContact O-CB 3.11Å; A7-M10 PolarHBondContact O-N 3.4Å; A7-F11 WeakPolarHBondContact O-CD2 3.23Å; A7-F11 PolarHBondContact O-N 2.69Å; A7-F60 HydrophobicContact CB-CE1 4.47Å; A7-F60 HydrophobicContact CB-CZ 4.13Å
8F81.4Confident77.1Confident13 Ų13100.9 Ų100.96%0.05750%0.498CS..Hα-helixtrans-53.5-45.8177.8-172.1-88000112.5M4 M10 F11 D12 G17 I19 F57 F60M4-F8 WeakPolarHBondContact O-CB 3.17Å; M4-F8 PolarHBondContact O-N 2.97Å; F8-M10 VanDerWaalsContact C-N 3.33Å; F8-M10 PolarHBondContact O-N 2.92Å; F8-F11 PolarHBondContact O-N 3.31Å; F8-D12 HydrophobicContact CD1-CB 4.09Å; F8-D12 HydrophobicContact CE1-CB 3.78Å; F8-D12 HydrophobicContact CZ-CB 4.39Å; F8-D12 WeakPolarHBondContact O-CB 3.01Å; F8-D12 PolarHBondContact O-N 3.49Å; F8-G17 WeakPolarHBondContact CZ-O 3.47Å; F8-I19 HydrophobicContact CB-CD1 4.25Å; F8-I19 HydrophobicContact CD1-CD1 4.38Å; F8-I19 HydrophobicContact CD2-CD1 3.13Å; F8-I19 HydrophobicContact CD2-CG1 3.86Å; F8-I19 HydrophobicContact CE2-CB 4.37Å; F8-I19 HydrophobicContact CE2-CD1 3.37Å; F8-I19 HydrophobicContact CE2-CG1 3.54Å; F8-I19 HydrophobicContact CG-CD1 3.68Å; F8-I19 HydrophobicContact CG-CG1 4.47Å; F8-I19 HydrophobicContact CZ-CD1 4.1Å; F8-I19 HydrophobicContact CZ-CG1 3.91Å; F8-F57 HydrophobicContact CB-CD2 3.71Å; F8-F57 HydrophobicContact CB-CE2 3.9Å; F8-F57 AromaticContact CD1-CD2 3.97Å; F8-F57 HydrophobicContact CD1-CD2 3.97Å; F8-F57 HydrophobicContact CD2-CB 4.22Å; F8-F57 AromaticContact CD2-CD2 3.65Å; F8-F57 HydrophobicContact CD2-CD2 3.65Å; F8-F57 HydrophobicContact CD2-CG 4.44Å; F8-F57 HydrophobicContact CE1-CB 4.29Å; F8-F57 HydrophobicContact CE2-CB 3.97Å; F8-F57 HydrophobicContact CE2-CD2 4.26Å; F8-F57 AromaticContact CG-CD2 3.49Å; F8-F57 HydrophobicContact CG-CD2 3.49Å; F8-F57 VanDerWaalsContact CG-CD2 3.49Å; F8-F57 HydrophobicContact CG-CE2 4.21Å; F8-F57 HydrophobicContact CG-CG 4.47Å; F8-F57 HydrophobicContact CZ-CB 4.01Å; F8-F60 HydrophobicContact CB-CD1 4.13Å; F8-F60 HydrophobicContact CB-CE1 4.2Å; F8-F60 HydrophobicContact CD2-CB 3.73Å; F8-F60 AromaticContact CD2-CD1 3.82Å; F8-F60 HydrophobicContact CD2-CD1 3.82Å; F8-F60 HydrophobicContact CD2-CD2 4.4Å; F8-F60 AromaticContact CD2-CG 3.7Å; F8-F60 HydrophobicContact CD2-CG 3.7Å; F8-F60 HydrophobicContact CE2-CB 3.97Å; F8-F60 HydrophobicContact CE2-CG 4.4Å; F8-F60 HydrophobicContact CG-CD1 4.48Å
9Q82.9Confident77.6Confident113 Ų11395.8 Ų95.853%0.52847%0.473SS..Hα-helixtrans-67.6-28178.2-73.5176.212.900114.2R5 K6 A7 F11R5-Q9 WeakPolarHBondContact O-CB 3.25Å; R5-Q9 VanDerWaalsContact O-CG 3.25Å; R5-Q9 WeakPolarHBondContact O-CG 3.33Å; R5-Q9 PolarHBondContact O-N 2.87Å; R5-Q9 VanDerWaalsContact O-N 3.09Å; K6-Q9 PolarHBondContact O-N 2.91Å; A7-Q9 VanDerWaalsContact C-N 3.29Å; A7-Q9 PolarHBondContact O-N 3.04Å; Q9-F11 VanDerWaalsContact C-N 3.28Å
10M82.3Confident78.2Confident136 Ų13695.9 Ų95.967%0.6747%0.472SS*.Hα-helixtrans-66.2-34.7173.5-74.3-174.2-157.400111.4K6 A7 F8 T13K6-M10 WeakPolarHBondContact O-CG 3.29Å; K6-M10 PolarHBondContact O-N 3.24Å; A7-M10 WeakPolarHBondContact O-CB 3.11Å; A7-M10 PolarHBondContact O-N 3.4Å; F8-M10 VanDerWaalsContact C-N 3.33Å; F8-M10 PolarHBondContact O-N 2.92Å; M10-T13 WeakPolarHBondContact O-CG2 3.26Å
11F79.5Confident78.5Confident73 Ų7392.5 Ų92.532%0.3246%0.456SS..Hα-helixtrans-93.1-34.2-176.8-66.8-79.9000112.7A7 F8 Q9 T13 I19 I27A7-F11 WeakPolarHBondContact O-CD2 3.23Å; A7-F11 PolarHBondContact O-N 2.69Å; F8-F11 PolarHBondContact O-N 3.31Å; Q9-F11 VanDerWaalsContact C-N 3.28Å; F11-T13 PolarHBondContact O-N 2.98Å; F11-I19 HydrophobicContact CB-CD1 3.91Å; F11-I19 HydrophobicContact CB-CG1 4.36Å; F11-I19 HydrophobicContact CB-CG2 4.41Å; F11-I27 HydrophobicContact CB-CD1 3.91Å; F11-I27 HydrophobicContact CD1-CD1 3.96Å; F11-I27 HydrophobicContact CD1-CG1 3.71Å; F11-I27 HydrophobicContact CD2-CD1 3.34Å; F11-I27 HydrophobicContact CD2-CG1 3.47Å; F11-I27 VanDerWaalsContact CD2-CG1 3.47Å; F11-I27 HydrophobicContact CD2-CG2 4.41Å; F11-I27 HydrophobicContact CE1-CD1 4.38Å; F11-I27 HydrophobicContact CE1-CG1 3.65Å; F11-I27 HydrophobicContact CE2-CB 4.24Å; F11-I27 HydrophobicContact CE2-CD1 3.89Å; F11-I27 HydrophobicContact CE2-CG1 3.47Å; F11-I27 VanDerWaalsContact CE2-CG1 3.47Å; F11-I27 HydrophobicContact CE2-CG2 3.99Å; F11-I27 HydrophobicContact CG-CD1 3.43Å; F11-I27 VanDerWaalsContact CG-CD1 3.43Å; F11-I27 HydrophobicContact CG-CG1 3.65Å; F11-I27 HydrophobicContact CZ-CB 4.34Å; F11-I27 HydrophobicContact CZ-CD1 4.38Å; F11-I27 HydrophobicContact CZ-CG1 3.56Å; F11-I27 HydrophobicContact CZ-CG2 4.48Å
12D84.8Confident79.9Confident16 Ų1689.3 Ų89.39%0.08644%0.443CS..  trans-80.157.1169.3-173.130.1000111.7F8 Q14 K15 T16 G17 I19F8-D12 HydrophobicContact CD1-CB 4.09Å; F8-D12 HydrophobicContact CE1-CB 3.78Å; F8-D12 HydrophobicContact CZ-CB 4.39Å; F8-D12 WeakPolarHBondContact O-CB 3.01Å; F8-D12 PolarHBondContact O-N 3.49Å; D12-Q14 PolarHBondContact O-N 2.69Å; D12-Q14 VanDerWaalsContact O-N 3.09Å; D12-K15 PolarHBondContact O-N 3.05Å; D12-K15 PolarHBondContact OD1-N 3.34Å; D12-K15 VanDerWaalsContact OD2-C 3.29Å; D12-K15 WeakPolarHBondContact OD2-CA 3.45Å; D12-T16 VanDerWaalsContact CG-N 3.34Å; D12-T16 PolarHBondContact OD1-N 3.23Å; D12-T16 PolarHBondContact OD1-OG1 2.86Å; D12-T16 PolarHBondContact OD2-N 2.8Å; D12-T16 VanDerWaalsContact OD2-N 3.12Å; D12-G17 WeakPolarHBondContact OD2-CA 3.48Å; D12-G17 PolarHBondContact OD2-N 3.24Å; D12-I19 HydrophobicContact CB-CG1 4.21Å
13T77.8Confident80.9Confident114 Ų11490 Ų9070%0.69944%0.436SS*.THydrogen-bonded Turntrans-56.7-26.8179.952.20000113.4M10 F11M10-T13 WeakPolarHBondContact O-CG2 3.26Å; F11-T13 PolarHBondContact O-N 2.98Å
14Q81.9Confident81.5Confident160 Ų16083.9 Ų83.975%0.74841%0.405SS*.THydrogen-bonded Turntrans-90.2-1.3-179.9-67.7-178.686.700113.1D12 T16D12-Q14 PolarHBondContact O-N 2.69Å; D12-Q14 VanDerWaalsContact O-N 3.09Å; Q14-T16 HydrophobicContact CB-CG2 3.66Å; Q14-T16 PolarHBondContact O-N 3Å
15K80.9Confident82Confident188 Ų18885.5 Ų85.582%0.81741%0.411SS*.  trans51.837.9-176.8-60.9-172.3179-176.60112.9D12 G17D12-K15 PolarHBondContact O-N 3.05Å; D12-K15 PolarHBondContact OD1-N 3.34Å; D12-K15 VanDerWaalsContact OD2-C 3.29Å; D12-K15 WeakPolarHBondContact OD2-CA 3.45Å; K15-G17 PolarHBondContact O-N 2.73Å
16T83.5Confident82.3Confident75 Ų7581.8 Ų81.846%0.4641%0.405SS..  trans-74-18.8178.860.50000111.6D12 Q14 F18D12-T16 VanDerWaalsContact CG-N 3.34Å; D12-T16 PolarHBondContact OD1-N 3.23Å; D12-T16 PolarHBondContact OD1-OG1 2.86Å; D12-T16 PolarHBondContact OD2-N 2.8Å; D12-T16 VanDerWaalsContact OD2-N 3.12Å; Q14-T16 HydrophobicContact CB-CG2 3.66Å; Q14-T16 PolarHBondContact O-N 3Å; T16-F18 WeakPolarHBondContact O-CD2 3.3Å; T16-F18 PolarHBondContact OG1-N 2.86Å; T16-F18 PolarHBondContact OG1-O 3.22Å; T16-F18 VanDerWaalsContact OG1-O 3.06Å
17G84.3Confident82.4Confident33 Ų3375.8 Ų75.834%0.3438%0.379SS..SBendtrans79.58.1-171.500000113F8 D12 K15 N56F8-G17 WeakPolarHBondContact CZ-O 3.47Å; D12-G17 WeakPolarHBondContact OD2-CA 3.48Å; D12-G17 PolarHBondContact OD2-N 3.24Å; K15-G17 PolarHBondContact O-N 2.73Å; G17-N56 WeakPolarHBondContact O-CA 3.29Å
18F86.4Confident82.4Confident101 Ų10175.3 Ų75.344%0.44338%0.375SS..EExtended strand (participates in β ladder)trans-135.6148.8-179.3-59.9-87.4000111.1T16 K54 V55 N56T16-F18 WeakPolarHBondContact O-CD2 3.3Å; T16-F18 PolarHBondContact OG1-N 2.86Å; T16-F18 PolarHBondContact OG1-O 3.22Å; T16-F18 VanDerWaalsContact OG1-O 3.06Å; F18-K54 HydrophobicContact CB-CB 4.27Å; F18-K54 HydrophobicContact CB-CD 4.47Å; F18-V55 CarbonylContact C-O 3.57Å; F18-V55 VanDerWaalsContact CA-O 3.25Å; F18-V55 WeakPolarHBondContact CA-O 3.38Å; F18-N56 HydrophobicContact CD1-CB 3.92Å; F18-N56 HydrophobicContact CE1-CB 3.85Å
19I87.4Confident82.1Confident4 Ų479 Ų792%0.02140%0.395CS..EExtended strand (participates in β ladder)trans-121.1135.7172.9-64.6176.3000108.1F8 F11 D12 R23 L24 I27 K54 V55 F60F8-I19 HydrophobicContact CB-CD1 4.25Å; F8-I19 HydrophobicContact CD1-CD1 4.38Å; F8-I19 HydrophobicContact CD2-CD1 3.13Å; F8-I19 HydrophobicContact CD2-CG1 3.86Å; F8-I19 HydrophobicContact CE2-CB 4.37Å; F8-I19 HydrophobicContact CE2-CD1 3.37Å; F8-I19 HydrophobicContact CE2-CG1 3.54Å; F8-I19 HydrophobicContact CG-CD1 3.68Å; F8-I19 HydrophobicContact CG-CG1 4.47Å; F8-I19 HydrophobicContact CZ-CD1 4.1Å; F8-I19 HydrophobicContact CZ-CG1 3.91Å; F11-I19 HydrophobicContact CB-CD1 3.91Å; F11-I19 HydrophobicContact CB-CG1 4.36Å; F11-I19 HydrophobicContact CB-CG2 4.41Å; D12-I19 HydrophobicContact CB-CG1 4.21Å; I19-R23 HydrophobicContact CG2-CB 3.76Å; I19-L24 HydrophobicContact CG2-CD2 4.28Å; I19-I27 HydrophobicContact CD1-CD1 4.41Å; I19-I27 HydrophobicContact CG2-CD1 4.28Å; I19-K54 CarbonylContact O-C 3.51Å; I19-K54 WeakPolarHBondContact O-CA 3.27Å; I19-V55 PolarHBondContact N-O 3.26Å; I19-V55 PolarHBondContact O-N 3.43Å; I19-F60 HydrophobicContact CD1-CD2 4.14Å; I19-F60 HydrophobicContact CD1-CG 4.48Å
20E88.8Confident81.6Confident97 Ų9778.4 Ų78.445%0.45340%0.403SS..EExtended strand (participates in β ladder)trans-64.4136.1174.5-63174.4156.400110.3L22 R23 L24 G53E20-L22 PolarHBondContact O-N 2.9Å; E20-R23 HydrophobicContact CB-CG 4.07Å; E20-R23 WeakPolarHBondContact O-CA 3.42Å; E20-R23 VanDerWaalsContact O-CB 3.26Å; E20-R23 WeakPolarHBondContact O-CB 3.4Å; E20-R23 PolarHBondContact O-N 2.94Å; E20-L24 PolarHBondContact O-N 3.22Å; E20-G53 WeakPolarHBondContact CA-O 3.18Å
21T84.3Confident80.8Confident25 Ų2575.4 Ų75.415%0.15339%0.388CS..Hα-helixtrans-58.9-34-177.653.30000112.5R23 L24 I44 G53 V55T21-R23 PolarHBondContact O-N 3.08Å; T21-L24 HydrophobicContact CG2-CD1 4.35Å; T21-L24 VanDerWaalsContact O-CB 3.24Å; T21-L24 WeakPolarHBondContact O-CB 3.25Å; T21-L24 PolarHBondContact O-N 2.98Å; T21-I44 HydrophobicContact CG2-CB 4.49Å; T21-I44 HydrophobicContact CG2-CD1 4.46Å; T21-I44 HydrophobicContact CG2-CG1 4.26Å; T21-I44 HydrophobicContact CG2-CG2 3.45Å; T21-I44 VanDerWaalsContact CG2-CG2 3.45Å; T21-G53 PolarHBondContact N-O 3.4Å; T21-G53 PolarHBondContact OG1-O 2.96Å; T21-V55 HydrophobicContact CG2-CG1 4.03Å
22L82.7Confident80.1Confident141 Ų14174.7 Ų74.774%0.73840%0.402SS*.Hα-helixtrans-56.7-32.2170.3-83.5151.3000113.7E20E20-L22 PolarHBondContact O-N 2.9Å
23R82.6Confident79.2Confident132 Ų13274.9 Ų74.950%0.49840%0.402SS..Hα-helixtrans-74.5-34.7176.5-63.2-67.5-173.6169.62.8110.9I19 E20 T21 K25 T26 I27I19-R23 HydrophobicContact CG2-CB 3.76Å; E20-R23 HydrophobicContact CB-CG 4.07Å; E20-R23 WeakPolarHBondContact O-CA 3.42Å; E20-R23 VanDerWaalsContact O-CB 3.26Å; E20-R23 WeakPolarHBondContact O-CB 3.4Å; E20-R23 PolarHBondContact O-N 2.94Å; T21-R23 PolarHBondContact O-N 3.08Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 2.8Å; R23-T26 CarbonylContact O-C 3.5Å; R23-T26 WeakPolarHBondContact O-CA 3.42Å; R23-T26 VanDerWaalsContact O-CB 3.28Å; R23-T26 WeakPolarHBondContact O-CB 3.31Å; R23-T26 PolarHBondContact O-N 2.89Å; R23-I27 VanDerWaalsContact O-CG1 3.3Å; R23-I27 WeakPolarHBondContact O-CG1 3.42Å; R23-I27 PolarHBondContact O-N 3.36Å
24L81.6Confident78.4Confident3 Ų379 Ų792%0.01642%0.416CS..Hα-helixtrans-52-45.8177.1-59.3174.1000111.8I19 E20 T21 T26 I27 L28 I44 V55 F60 I63I19-L24 HydrophobicContact CG2-CD2 4.28Å; E20-L24 PolarHBondContact O-N 3.22Å; T21-L24 HydrophobicContact CG2-CD1 4.35Å; T21-L24 VanDerWaalsContact O-CB 3.24Å; T21-L24 WeakPolarHBondContact O-CB 3.25Å; T21-L24 PolarHBondContact O-N 2.98Å; L24-T26 PolarHBondContact O-N 3.08Å; L24-I27 HydrophobicContact CD2-CD1 4.48Å; L24-I27 WeakPolarHBondContact O-CB 3.49Å; L24-I27 PolarHBondContact O-N 3.34Å; L24-I27 VanDerWaalsContact O-N 3.08Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 2.95Å; L24-I44 HydrophobicContact CD1-CD1 4.32Å; L24-I44 HydrophobicContact CD1-CG1 3.95Å; L24-V55 HydrophobicContact CD1-CG1 4.31Å; L24-V55 HydrophobicContact CD1-CG2 3.76Å; L24-V55 HydrophobicContact CD2-CG2 3.94Å; L24-V55 HydrophobicContact CG-CG2 4.24Å; L24-F60 HydrophobicContact CD2-CD2 3.48Å; L24-F60 VanDerWaalsContact CD2-CD2 3.48Å; L24-F60 HydrophobicContact CD2-CE2 4.07Å; L24-I63 HydrophobicContact CD1-CD1 3.63Å
25K80.1Confident78.1Confident76 Ų7672.9 Ų72.933%0.3339%0.387SS..Hα-helixtrans-57.2-38.2174.9-176.5170.5-174.2167.90112.6R23 N29 F35 D37 L40R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 2.8Å; K25-N29 VanDerWaalsContact O-CB 3.31Å; K25-N29 WeakPolarHBondContact O-CB 3.48Å; K25-N29 PolarHBondContact O-N 3.46Å; K25-N29 VanDerWaalsContact O-N 3.13Å; K25-N29 PolarHBondContact O-ND2 3.05Å; K25-F35 HydrophobicContact CG-CE2 4.15Å; K25-F35 HydrophobicContact CG-CZ 4.06Å; K25-D37 WeakPolarHBondContact CE-OD1 3.27Å; K25-D37 IonicContact NZ-OD1 2.6Å; K25-D37 PolarHBondContact NZ-OD1 3.47Å; K25-D37 IonicContact NZ-OD2 2.86Å; K25-D37 PolarHBondContact NZ-OD2 3.02Å; K25-L40 HydrophobicContact CB-CD2 3.88Å; K25-L40 HydrophobicContact CG-CD2 4.33Å
26T81.3Confident78.1Confident72 Ų7269.4 Ų69.444%0.44238%0.377SS..Hα-helixtrans-72-38.3178-51.70000111.1R23 L24 S30R23-T26 CarbonylContact O-C 3.5Å; R23-T26 WeakPolarHBondContact O-CA 3.42Å; R23-T26 VanDerWaalsContact O-CB 3.28Å; R23-T26 WeakPolarHBondContact O-CB 3.31Å; R23-T26 PolarHBondContact O-N 2.89Å; L24-T26 PolarHBondContact O-N 3.08Å; T26-S30 VanDerWaalsContact O-CB 3.22Å; T26-S30 WeakPolarHBondContact O-CB 3.37Å; T26-S30 PolarHBondContact O-N 3.07Å
27I79Confident78.1Confident4 Ų470.3 Ų70.32%0.02138%0.379CS..Hα-helixtrans-62.5-55177.6-58.4174.1000109.6F11 I19 R23 L24 N29 S30 M31 F60F11-I27 HydrophobicContact CB-CD1 3.91Å; F11-I27 HydrophobicContact CD1-CD1 3.96Å; F11-I27 HydrophobicContact CD1-CG1 3.71Å; F11-I27 HydrophobicContact CD2-CD1 3.34Å; F11-I27 HydrophobicContact CD2-CG1 3.47Å; F11-I27 VanDerWaalsContact CD2-CG1 3.47Å; F11-I27 HydrophobicContact CD2-CG2 4.41Å; F11-I27 HydrophobicContact CE1-CD1 4.38Å; F11-I27 HydrophobicContact CE1-CG1 3.65Å; F11-I27 HydrophobicContact CE2-CB 4.24Å; F11-I27 HydrophobicContact CE2-CD1 3.89Å; F11-I27 HydrophobicContact CE2-CG1 3.47Å; F11-I27 VanDerWaalsContact CE2-CG1 3.47Å; F11-I27 HydrophobicContact CE2-CG2 3.99Å; F11-I27 HydrophobicContact CG-CD1 3.43Å; F11-I27 VanDerWaalsContact CG-CD1 3.43Å; F11-I27 HydrophobicContact CG-CG1 3.65Å; F11-I27 HydrophobicContact CZ-CB 4.34Å; F11-I27 HydrophobicContact CZ-CD1 4.38Å; F11-I27 HydrophobicContact CZ-CG1 3.56Å; F11-I27 HydrophobicContact CZ-CG2 4.48Å; I19-I27 HydrophobicContact CD1-CD1 4.41Å; I19-I27 HydrophobicContact CG2-CD1 4.28Å; R23-I27 VanDerWaalsContact O-CG1 3.3Å; R23-I27 WeakPolarHBondContact O-CG1 3.42Å; R23-I27 PolarHBondContact O-N 3.36Å; L24-I27 HydrophobicContact CD2-CD1 4.48Å; L24-I27 WeakPolarHBondContact O-CB 3.49Å; L24-I27 PolarHBondContact O-N 3.34Å; L24-I27 VanDerWaalsContact O-N 3.08Å; I27-N29 PolarHBondContact O-N 3.01Å; I27-S30 CarbonylContact O-C 3.51Å; I27-S30 WeakPolarHBondContact O-CA 3.31Å; I27-S30 WeakPolarHBondContact O-CB 3.35Å; I27-S30 PolarHBondContact O-N 3.36Å; I27-M31 HydrophobicContact CG2-SD 4.01Å; I27-M31 WeakPolarHBondContact O-CG 3.19Å; I27-M31 PolarHBondContact O-N 2.93Å; I27-F60 HydrophobicContact CD1-CD2 4.43Å; I27-F60 HydrophobicContact CD1-CE2 3.72Å; I27-F60 HydrophobicContact CG2-CE2 4.2Å; I27-F60 HydrophobicContact CG2-CZ 4.37Å
28L76.3Confident78.2Confident6 Ų673.5 Ų73.53%0.03140%0.396CS..Hα-helixtrans-61.8-42.5-178.1-65.1169.8000111.7L24 S30 M31 G32 Q33 F35 L40 F67L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 2.95Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-S30 PolarHBondContact O-N 3.41Å; L28-M31 PolarHBondContact O-N 3.02Å; L28-M31 VanDerWaalsContact O-N 3.15Å; L28-G32 PolarHBondContact O-N 3.02Å; L28-Q33 PolarHBondContact O-N 2.93Å; L28-F35 HydrophobicContact CB-CD1 3.82Å; L28-F35 HydrophobicContact CB-CE1 3.21Å; L28-F35 HydrophobicContact CB-CZ 3.7Å; L28-F35 HydrophobicContact CD1-CD1 4.44Å; L28-F35 HydrophobicContact CD1-CE1 4.29Å; L28-F35 HydrophobicContact CD1-CZ 4.34Å; L28-F35 HydrophobicContact CG-CE1 4.38Å; L28-L40 HydrophobicContact CD1-CD1 3.64Å; L28-L40 HydrophobicContact CD1-CD2 4.26Å; L28-F67 HydrophobicContact CD1-CD2 3.53Å; L28-F67 HydrophobicContact CD1-CE2 3.65Å; L28-F67 HydrophobicContact CD1-CG 4.25Å; L28-F67 HydrophobicContact CD1-CZ 4.45Å; L28-F67 HydrophobicContact CD2-CB 3.95Å; L28-F67 HydrophobicContact CD2-CD2 3.87Å; L28-F67 HydrophobicContact CD2-CG 4.12Å; L28-F67 HydrophobicContact CG-CD2 4.36Å
29N76.1Confident78Confident91 Ų9172.3 Ų72.349%0.48739%0.392SS..Hα-helixtrans-63-37173.4-85.5-61.4000112.5K25 I27 M31 G32K25-N29 VanDerWaalsContact O-CB 3.31Å; K25-N29 WeakPolarHBondContact O-CB 3.48Å; K25-N29 PolarHBondContact O-N 3.46Å; K25-N29 VanDerWaalsContact O-N 3.13Å; K25-N29 PolarHBondContact O-ND2 3.05Å; I27-N29 PolarHBondContact O-N 3.01Å; N29-M31 PolarHBondContact O-N 3.35Å; N29-G32 PolarHBondContact O-N 3.42Å
30S71.4Confident77.9Confident99 Ų9972.4 Ų72.469%0.69239%0.393SS*.Hα-helixtrans-72.4-19.8177.7-1710000112.9T26 I27 L28 G32T26-S30 VanDerWaalsContact O-CB 3.22Å; T26-S30 WeakPolarHBondContact O-CB 3.37Å; T26-S30 PolarHBondContact O-N 3.07Å; I27-S30 CarbonylContact O-C 3.51Å; I27-S30 WeakPolarHBondContact O-CA 3.31Å; I27-S30 WeakPolarHBondContact O-CB 3.35Å; I27-S30 PolarHBondContact O-N 3.36Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-S30 PolarHBondContact O-N 3.41Å; S30-G32 VanDerWaalsContact C-N 3.28Å
31M66.1Low77.8Confident73 Ų7372.7 Ų72.736%0.3639%0.394SS..Hα-helixtrans-82.3-9.3172.5-65.917981.700111.9I27 L28 N29 Q33 L68I27-M31 HydrophobicContact CG2-SD 4.01Å; I27-M31 WeakPolarHBondContact O-CG 3.19Å; I27-M31 PolarHBondContact O-N 2.93Å; L28-M31 PolarHBondContact O-N 3.02Å; L28-M31 VanDerWaalsContact O-N 3.15Å; N29-M31 PolarHBondContact O-N 3.35Å; M31-Q33 HydrophobicContact CB-CG 4.49Å; M31-L68 HydrophobicContact CE-CD1 4.16Å; M31-L68 HydrophobicContact CE-CD2 3.61Å; M31-L68 HydrophobicContact CE-CG 4.48Å
32G65.4Low78Confident59 Ų5974.4 Ų74.461%0.60841%0.411SS*.THydrogen-bonded Turntrans92.46175.600000114.2L28 N29 S30L28-G32 PolarHBondContact O-N 3.02Å; N29-G32 PolarHBondContact O-N 3.42Å; S30-G32 VanDerWaalsContact C-N 3.28Å
33Q64.4Low78.2Confident20 Ų2069 Ų699%0.09338%0.383CS..  trans-79.1134.7-176.8-59.5-154.7-81.400112.2L28 M31 F35 F67 E71L28-Q33 PolarHBondContact O-N 2.93Å; M31-Q33 HydrophobicContact CB-CG 4.49Å; Q33-F35 HydrophobicContact CB-CD1 4.27Å; Q33-F35 WeakPolarHBondContact O-CD1 3.47Å; Q33-F67 PolarHBondContact NE2-O 3.36Å; Q33-F67 VanDerWaalsContact OE1-CB 3.28Å; Q33-E71 WeakPolarHBondContact CG-OE2 3.39Å; Q33-E71 PolarHBondContact NE2-OE2 3.28Å
34M62.5Low78.5Confident200 Ų20063.3 Ų63.399%0.98536%0.362SS*.  trans-89.1118.8165.6-71.1-166.1179.800108.3
35F74.2Confident78.8Confident31 Ų3168 Ų6814%0.13639%0.387CS..  trans-136.1152.5175.853.4-88.4000109.5K25 L28 Q33 L40 F67K25-F35 HydrophobicContact CG-CE2 4.15Å; K25-F35 HydrophobicContact CG-CZ 4.06Å; L28-F35 HydrophobicContact CB-CD1 3.82Å; L28-F35 HydrophobicContact CB-CE1 3.21Å; L28-F35 HydrophobicContact CB-CZ 3.7Å; L28-F35 HydrophobicContact CD1-CD1 4.44Å; L28-F35 HydrophobicContact CD1-CE1 4.29Å; L28-F35 HydrophobicContact CD1-CZ 4.34Å; L28-F35 HydrophobicContact CG-CE1 4.38Å; Q33-F35 HydrophobicContact CB-CD1 4.27Å; Q33-F35 WeakPolarHBondContact O-CD1 3.47Å; F35-L40 HydrophobicContact CD2-CB 3.98Å; F35-L40 HydrophobicContact CD2-CD2 4.04Å; F35-L40 HydrophobicContact CE2-CB 4.3Å; F35-L40 HydrophobicContact CE2-CD2 3.49Å; F35-L40 VanDerWaalsContact CE2-CD2 3.49Å; F35-L40 HydrophobicContact CE2-CG 4.47Å; F35-L40 HydrophobicContact CZ-CD2 4.26Å; F35-F67 HydrophobicContact CB-CD1 3.82Å; F35-F67 HydrophobicContact CB-CE1 3.39Å; F35-F67 HydrophobicContact CB-CZ 4.1Å; F35-F67 HydrophobicContact CG-CE1 4.17Å; F35-F67 HydrophobicContact CG-CZ 4.5Å
36D82.6Confident79.2Confident115 Ų11570.4 Ų70.462%0.61540%0.404SS*.  trans-79.7134.5174.1-83.9-72.3000111S38 E39 L40D36-S38 PolarHBondContact O-N 3.21Å; D36-S38 VanDerWaalsContact O-N 3.16Å; D36-E39 HydrophobicContact CB-CB 4.14Å; D36-E39 WeakPolarHBondContact O-CB 3.34Å; D36-E39 PolarHBondContact O-N 3.41Å; D36-L40 PolarHBondContact O-N 2.91Å
37D83Confident79.5Confident94 Ų9468.8 Ų68.850%0.50339%0.392SS..Hα-helixtrans-56-33.4176.6-94.7-73.3000112.3K25 Q41K25-D37 WeakPolarHBondContact CE-OD1 3.27Å; K25-D37 IonicContact NZ-OD1 2.6Å; K25-D37 PolarHBondContact NZ-OD1 3.47Å; K25-D37 IonicContact NZ-OD2 2.86Å; K25-D37 PolarHBondContact NZ-OD2 3.02Å; D37-Q41 VanDerWaalsContact O-CB 3.27Å; D37-Q41 WeakPolarHBondContact O-CB 3.5Å; D37-Q41 PolarHBondContact O-N 3.19Å
38S85.2Confident79.9Confident100 Ų10069 Ų6970%0.69939%0.394SS*.Hα-helixtrans-72.5-33.6178.4-60.70000112.7D36 A42D36-S38 PolarHBondContact O-N 3.21Å; D36-S38 VanDerWaalsContact O-N 3.16Å; S38-A42 PolarHBondContact O-N 3.37Å; S38-A42 VanDerWaalsContact O-N 3.11Å
39E82.9Confident80.3Confident77 Ų7774 Ų7436%0.3643%0.426SS..Hα-helixtrans-73.4-47.1178.3-177.2179.2178.300110.7D36 Q41 A42 L43 H66 F67D36-E39 HydrophobicContact CB-CB 4.14Å; D36-E39 WeakPolarHBondContact O-CB 3.34Å; D36-E39 PolarHBondContact O-N 3.41Å; E39-Q41 PolarHBondContact O-N 3.09Å; E39-A42 WeakPolarHBondContact O-CB 3.28Å; E39-A42 PolarHBondContact O-N 2.93Å; E39-A42 VanDerWaalsContact O-N 3.09Å; E39-L43 HydrophobicContact CG-CD1 4.48Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.17Å; E39-H66 IonicContact OE1-CD2 3.6Å; E39-H66 IonicContact OE1-CE1 3.85Å; E39-H66 IonicContact OE1-NE2 2.77Å; E39-H66 PolarHBondContact OE1-NE2 2.92Å; E39-F67 HydrophobicContact CG-CE1 4.41Å; E39-F67 HydrophobicContact CG-CZ 4.46Å
40L85.6Confident80.9Confident5 Ų577.7 Ų77.73%0.02644%0.44CS..Hα-helixtrans-57-41.5173175.860.8000111.1K25 L28 F35 D36 A42 L43 I44 I63 F67K25-L40 HydrophobicContact CB-CD2 3.88Å; K25-L40 HydrophobicContact CG-CD2 4.33Å; L28-L40 HydrophobicContact CD1-CD1 3.64Å; L28-L40 HydrophobicContact CD1-CD2 4.26Å; F35-L40 HydrophobicContact CD2-CB 3.98Å; F35-L40 HydrophobicContact CD2-CD2 4.04Å; F35-L40 HydrophobicContact CE2-CB 4.3Å; F35-L40 HydrophobicContact CE2-CD2 3.49Å; F35-L40 VanDerWaalsContact CE2-CD2 3.49Å; F35-L40 HydrophobicContact CE2-CG 4.47Å; F35-L40 HydrophobicContact CZ-CD2 4.26Å; D36-L40 PolarHBondContact O-N 2.91Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 3.45Å; L40-L43 PolarHBondContact O-N 3.22Å; L40-I44 HydrophobicContact CD1-CD1 3.98Å; L40-I44 HydrophobicContact CD1-CG1 4.23Å; L40-I44 HydrophobicContact CD2-CD1 4.42Å; L40-I44 HydrophobicContact CG-CD1 3.77Å; L40-I44 HydrophobicContact CG-CG1 4.46Å; L40-I44 WeakPolarHBondContact O-CD1 3.49Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.22Å; L40-I44 PolarHBondContact O-N 3.45Å; L40-I63 HydrophobicContact CD1-CG2 3.84Å; L40-F67 HydrophobicContact CB-CE2 4.42Å; L40-F67 HydrophobicContact CB-CZ 4.01Å; L40-F67 HydrophobicContact CD1-CE2 3.69Å; L40-F67 HydrophobicContact CD1-CZ 4.15Å
41Q87.2Confident81.5Confident103 Ų10379.1 Ų79.148%0.48144%0.441SS..Hα-helixtrans-64.5-37.3178-17161.462.500112.4D37 E39 I44 D45D37-Q41 VanDerWaalsContact O-CB 3.27Å; D37-Q41 WeakPolarHBondContact O-CB 3.5Å; D37-Q41 PolarHBondContact O-N 3.19Å; E39-Q41 PolarHBondContact O-N 3.09Å; Q41-I44 PolarHBondContact O-N 3.13Å; Q41-D45 WeakPolarHBondContact O-CB 3.16Å; Q41-D45 PolarHBondContact O-N 2.65Å
42A87.9Confident82.5Confident62 Ų6279.3 Ų79.351%0.51245%0.446SS..Hα-helixtrans-65.3-41175.900000111.8S38 E39 L40 I44 D45 D46S38-A42 PolarHBondContact O-N 3.37Å; S38-A42 VanDerWaalsContact O-N 3.11Å; E39-A42 WeakPolarHBondContact O-CB 3.28Å; E39-A42 PolarHBondContact O-N 2.93Å; E39-A42 VanDerWaalsContact O-N 3.09Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 3.45Å; A42-I44 VanDerWaalsContact C-N 3.34Å; A42-D45 PolarHBondContact O-N 3.18Å; A42-D46 PolarHBondContact O-N 2.99Å
43L87.5Confident83.5Confident28 Ų2877.9 Ų77.915%0.14743%0.431CS..Hα-helixtrans-68.6-35.2176.2-64163.6000111.9E39 L40 N47 I63 H66 F67E39-L43 HydrophobicContact CG-CD1 4.48Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.17Å; L40-L43 PolarHBondContact O-N 3.22Å; L43-N47 WeakPolarHBondContact O-CB 3.08Å; L43-N47 PolarHBondContact O-N 3Å; L43-N47 VanDerWaalsContact O-N 3.16Å; L43-N47 PolarHBondContact O-ND2 3.47Å; L43-I63 HydrophobicContact CB-CG1 4.06Å; L43-I63 HydrophobicContact CB-CG2 4.47Å; L43-H66 HydrophobicContact CD1-CB 4.08Å; L43-H66 WeakPolarHBondContact CD1-CD2 3.09Å; L43-H66 HydrophobicContact CD2-CB 4.13Å; L43-F67 HydrophobicContact CD1-CD2 4.17Å; L43-F67 HydrophobicContact CD1-CE1 4.23Å; L43-F67 HydrophobicContact CD1-CE2 3.29Å; L43-F67 HydrophobicContact CD1-CZ 3.33Å
44I87.9Confident84.6Confident12 Ų1281.9 Ų81.96%0.06245%0.448CS..Hα-helixtrans-64.1-45.9172.3-72162.6000110.4T21 L24 L40 Q41 A42 D46 N47 D48 I63T21-I44 HydrophobicContact CG2-CB 4.49Å; T21-I44 HydrophobicContact CG2-CD1 4.46Å; T21-I44 HydrophobicContact CG2-CG1 4.26Å; T21-I44 HydrophobicContact CG2-CG2 3.45Å; T21-I44 VanDerWaalsContact CG2-CG2 3.45Å; L24-I44 HydrophobicContact CD1-CD1 4.32Å; L24-I44 HydrophobicContact CD1-CG1 3.95Å; L40-I44 HydrophobicContact CD1-CD1 3.98Å; L40-I44 HydrophobicContact CD1-CG1 4.23Å; L40-I44 HydrophobicContact CD2-CD1 4.42Å; L40-I44 HydrophobicContact CG-CD1 3.77Å; L40-I44 HydrophobicContact CG-CG1 4.46Å; L40-I44 WeakPolarHBondContact O-CD1 3.49Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.22Å; L40-I44 PolarHBondContact O-N 3.45Å; Q41-I44 PolarHBondContact O-N 3.13Å; A42-I44 VanDerWaalsContact C-N 3.34Å; I44-D46 VanDerWaalsContact C-N 3.3Å; I44-D46 PolarHBondContact O-N 3.03Å; I44-N47 CarbonylContact O-C 3.51Å; I44-N47 PolarHBondContact O-N 3.33Å; I44-N47 VanDerWaalsContact O-N 3.14Å; I44-D48 HydrophobicContact CG2-CB 4.49Å; I44-D48 WeakPolarHBondContact O-CA 3.12Å; I44-D48 WeakPolarHBondContact O-CB 3.44Å; I44-D48 PolarHBondContact O-N 3.28Å; I44-I63 HydrophobicContact CG1-CD1 4.14Å
45D89.2Confident85.9Confident102 Ų10272.4 Ų72.455%0.54540%0.401SS..Hα-helixtrans-61-39.5179.9-166.3-103.3000111.8Q41 A42 N47 D48Q41-D45 WeakPolarHBondContact O-CB 3.16Å; Q41-D45 PolarHBondContact O-N 2.65Å; A42-D45 PolarHBondContact O-N 3.18Å; D45-N47 VanDerWaalsContact C-N 3.34Å; D45-N47 PolarHBondContact O-N 3.19Å; D45-D48 CarbonylContact O-C 3.56Å
46D88.4Confident86.6Confident126 Ų12674.3 Ų74.367%0.67441%0.413SS*.Hα-helixtrans-64.3-36.9174.9-172.9-103.5000112.7A42 I44A42-D46 PolarHBondContact O-N 2.99Å; I44-D46 VanDerWaalsContact C-N 3.3Å; I44-D46 PolarHBondContact O-N 3.03Å
47N85.9Confident86.7Confident38 Ų3872.5 Ų72.520%0.20340%0.4CS..Hα-helixtrans-96.4-9.9-175.8-72.4-89.4000114.3L43 I44 D45 V55 G59 S62 I63L43-N47 WeakPolarHBondContact O-CB 3.08Å; L43-N47 PolarHBondContact O-N 3Å; L43-N47 VanDerWaalsContact O-N 3.16Å; L43-N47 PolarHBondContact O-ND2 3.47Å; I44-N47 CarbonylContact O-C 3.51Å; I44-N47 PolarHBondContact O-N 3.33Å; I44-N47 VanDerWaalsContact O-N 3.14Å; D45-N47 VanDerWaalsContact C-N 3.34Å; D45-N47 PolarHBondContact O-N 3.19Å; N47-V55 HydrophobicContact CB-CG1 4.32Å; N47-G59 VanDerWaalsContact OD1-CA 3.28Å; N47-G59 WeakPolarHBondContact OD1-CA 3.36Å; N47-S62 WeakPolarHBondContact OD1-CB 3Å; N47-I63 HydrophobicContact CB-CD1 4.14Å; N47-I63 HydrophobicContact CB-CG1 4.41Å
48D89.1Confident86.7Confident9 Ų973.4 Ų73.45%0.04841%0.405CS..  trans-135.661.5176.4-17326.4000110.3I44 D45 E50 D51 T52 G53 K54 V55I44-D48 HydrophobicContact CG2-CB 4.49Å; I44-D48 WeakPolarHBondContact O-CA 3.12Å; I44-D48 WeakPolarHBondContact O-CB 3.44Å; I44-D48 PolarHBondContact O-N 3.28Å; D45-D48 CarbonylContact O-C 3.56Å; D48-E50 PolarHBondContact O-N 3.04Å; D48-D51 PolarHBondContact O-N 3.44Å; D48-T52 VanDerWaalsContact CG-N 3.3Å; D48-T52 WeakPolarHBondContact OD1-CB 3.35Å; D48-T52 PolarHBondContact OD1-N 2.86Å; D48-T52 PolarHBondContact OD1-OG1 2.87Å; D48-T52 PolarHBondContact OD2-N 2.76Å; D48-T52 PolarHBondContact OD2-OG1 3.21Å; D48-G53 WeakPolarHBondContact OD2-CA 2.91Å; D48-G53 PolarHBondContact OD2-N 3.23Å; D48-K54 PolarHBondContact OD2-N 3.3Å; D48-V55 HydrophobicContact CB-CG1 4.3Å
49P84.3Confident86.7Confident109 Ų10968.7 Ų68.771%0.70837%0.372SS*.THydrogen-bonded Turntrans-65.1-13.6-177.928.3-37.3000113.1D51P49-D51 VanDerWaalsContact C-N 3.34Å
50E87.4Confident86.8Confident169 Ų16965.4 Ų65.479%0.7936%0.356SS*.THydrogen-bonded Turntrans-88.70.1176.2-67.1-170.799.700112.7D48 T52D48-E50 PolarHBondContact O-N 3.04Å; E50-T52 HydrophobicContact CB-CG2 3.63Å; E50-T52 PolarHBondContact O-N 2.85Å
51D85Confident86.6Confident130 Ų13066.5 Ų66.570%0.69536%0.364SS*.  trans4941.6-177.2-160.1-116.9000111.9D48 P49 G53D48-D51 PolarHBondContact O-N 3.44Å; P49-D51 VanDerWaalsContact C-N 3.34Å; D51-G53 PolarHBondContact O-N 2.85Å
52T86.6Confident86.4Confident77 Ų7764.2 Ų64.247%0.47236%0.36SS..  trans-73.8-13.6-178.969.10000112.4D48 E50 K54D48-T52 VanDerWaalsContact CG-N 3.3Å; D48-T52 WeakPolarHBondContact OD1-CB 3.35Å; D48-T52 PolarHBondContact OD1-N 2.86Å; D48-T52 PolarHBondContact OD1-OG1 2.87Å; D48-T52 PolarHBondContact OD2-N 2.76Å; D48-T52 PolarHBondContact OD2-OG1 3.21Å; E50-T52 HydrophobicContact CB-CG2 3.63Å; E50-T52 PolarHBondContact O-N 2.85Å; T52-K54 PolarHBondContact O-N 3.44Å; T52-K54 PolarHBondContact OG1-N 3.3Å; T52-K54 PolarHBondContact OG1-O 3Å; T52-K54 VanDerWaalsContact OG1-O 3.1Å
53G86.2Confident86.1Confident28 Ų2861.4 Ų61.429%0.28934%0.336SS..SBendtrans7117.5-17200000112.5E20 T21 D48 D51E20-G53 WeakPolarHBondContact CA-O 3.18Å; T21-G53 PolarHBondContact N-O 3.4Å; T21-G53 PolarHBondContact OG1-O 2.96Å; D48-G53 WeakPolarHBondContact OD2-CA 2.91Å; D48-G53 PolarHBondContact OD2-N 3.23Å; D51-G53 PolarHBondContact O-N 2.85Å
54K89.2Confident85.7Confident104 Ų10460.2 Ų60.245%0.45233%0.33SS..EExtended strand (participates in β ladder)trans-142.6136-173.5-64.1-178.8-174.4178.10111.1F18 I19 D48 T52F18-K54 HydrophobicContact CB-CB 4.27Å; F18-K54 HydrophobicContact CB-CD 4.47Å; I19-K54 CarbonylContact O-C 3.51Å; I19-K54 WeakPolarHBondContact O-CA 3.27Å; D48-K54 PolarHBondContact OD2-N 3.3Å; T52-K54 PolarHBondContact O-N 3.44Å; T52-K54 PolarHBondContact OG1-N 3.3Å; T52-K54 PolarHBondContact OG1-O 3Å; T52-K54 VanDerWaalsContact OG1-O 3.1Å
55V89Confident85.1Confident1 Ų161 Ų611%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-114.5146.3172.7-60.80000110.4F18 I19 T21 L24 N47 D48 F60 I63F18-V55 CarbonylContact C-O 3.57Å; F18-V55 VanDerWaalsContact CA-O 3.25Å; F18-V55 WeakPolarHBondContact CA-O 3.38Å; I19-V55 PolarHBondContact N-O 3.26Å; I19-V55 PolarHBondContact O-N 3.43Å; T21-V55 HydrophobicContact CG2-CG1 4.03Å; L24-V55 HydrophobicContact CD1-CG1 4.31Å; L24-V55 HydrophobicContact CD1-CG2 3.76Å; L24-V55 HydrophobicContact CD2-CG2 3.94Å; L24-V55 HydrophobicContact CG-CG2 4.24Å; N47-V55 HydrophobicContact CB-CG1 4.32Å; D48-V55 HydrophobicContact CB-CG1 4.3Å; V55-F60 HydrophobicContact CG2-CB 4.38Å; V55-I63 HydrophobicContact CG1-CD1 4.1Å
56N87.8Confident84.6Confident72 Ų7260 Ų6039%0.38533%0.33SS..EExtended strand (participates in β ladder)trans-81.6-178173.265.622.3000110.6G17 F18 D58 G59 F60G17-N56 WeakPolarHBondContact O-CA 3.29Å; F18-N56 HydrophobicContact CD1-CB 3.92Å; F18-N56 HydrophobicContact CE1-CB 3.85Å; N56-D58 PolarHBondContact O-N 2.99Å; N56-D58 WeakPolarHBondContact OD1-CA 3.29Å; N56-D58 WeakPolarHBondContact OD1-CB 3.41Å; N56-D58 PolarHBondContact OD1-N 3.35Å; N56-G59 PolarHBondContact O-N 3.39Å; N56-G59 PolarHBondContact OD1-N 2.81Å; N56-F60 WeakPolarHBondContact O-CB 3.21Å; N56-F60 PolarHBondContact O-N 3.09Å
57F84.6Confident83.8Confident76 Ų7654.6 Ų54.633%0.33330%0.301SS..Hα-helixtrans-59.2-34.8178.2-179.6-109.1000113.5R5 F8 C61R5-F57 HydrophobicContact CB-CE2 4.24Å; R5-F57 HydrophobicContact CB-CZ 4.16Å; F8-F57 HydrophobicContact CB-CD2 3.71Å; F8-F57 HydrophobicContact CB-CE2 3.9Å; F8-F57 AromaticContact CD1-CD2 3.97Å; F8-F57 HydrophobicContact CD1-CD2 3.97Å; F8-F57 HydrophobicContact CD2-CB 4.22Å; F8-F57 AromaticContact CD2-CD2 3.65Å; F8-F57 HydrophobicContact CD2-CD2 3.65Å; F8-F57 HydrophobicContact CD2-CG 4.44Å; F8-F57 HydrophobicContact CE1-CB 4.29Å; F8-F57 HydrophobicContact CE2-CB 3.97Å; F8-F57 HydrophobicContact CE2-CD2 4.26Å; F8-F57 AromaticContact CG-CD2 3.49Å; F8-F57 HydrophobicContact CG-CD2 3.49Å; F8-F57 VanDerWaalsContact CG-CD2 3.49Å; F8-F57 HydrophobicContact CG-CE2 4.21Å; F8-F57 HydrophobicContact CG-CG 4.47Å; F8-F57 HydrophobicContact CZ-CB 4.01Å; F57-C61 WeakPolarHBondContact CZ-SG 3.46Å; F57-C61 WeakPolarHBondContact O-CB 3.24Å; F57-C61 PolarHBondContact O-N 3.18Å; F57-C61 PolarHBondContact O-SG 2.91Å
58D83.9Confident82.8Confident114 Ų11454.4 Ų54.461%0.6130%0.3SS*.Hα-helixtrans-67.9-49.7-179.9-163.8-109.4000110.5N56 F60 C61 S62N56-D58 PolarHBondContact O-N 2.99Å; N56-D58 WeakPolarHBondContact OD1-CA 3.29Å; N56-D58 WeakPolarHBondContact OD1-CB 3.41Å; N56-D58 PolarHBondContact OD1-N 3.35Å; D58-F60 VanDerWaalsContact C-N 3.34Å; D58-F60 PolarHBondContact O-N 3.15Å; D58-C61 CarbonylContact O-C 3.6Å; D58-C61 WeakPolarHBondContact O-CA 3.35Å; D58-C61 WeakPolarHBondContact O-CB 3.48Å; D58-C61 PolarHBondContact O-N 3.35Å; D58-S62 PolarHBondContact O-N 3.45Å; D58-S62 PolarHBondContact O-OG 3.03Å
59G84.9Confident81.4Confident1 Ų161 Ų611%0.0133%0.33CS..Hα-helixtrans-64.5-36.1175.200000113.1N47 N56 C61 S62 I63N47-G59 VanDerWaalsContact OD1-CA 3.28Å; N47-G59 WeakPolarHBondContact OD1-CA 3.36Å; N56-G59 PolarHBondContact O-N 3.39Å; N56-G59 PolarHBondContact OD1-N 2.81Å; G59-C61 VanDerWaalsContact C-N 3.34Å; G59-C61 PolarHBondContact O-N 2.81Å; G59-S62 PolarHBondContact O-N 3.36Å; G59-I63 WeakPolarHBondContact O-CB 3.14Å; G59-I63 WeakPolarHBondContact O-CD1 3.38Å; G59-I63 WeakPolarHBondContact O-CG1 3.43Å; G59-I63 PolarHBondContact O-N 3.43Å
60F85.3Confident79.8Confident8 Ų862.4 Ų62.44%0.03533%0.327CS..Hα-helixtrans-60-44.6169.7173.5-96.6000111.8M4 A7 F8 I19 L24 I27 V55 N56 D58 A64M4-F60 HydrophobicContact CB-CE1 4.32Å; A7-F60 HydrophobicContact CB-CE1 4.47Å; A7-F60 HydrophobicContact CB-CZ 4.13Å; F8-F60 HydrophobicContact CB-CD1 4.13Å; F8-F60 HydrophobicContact CB-CE1 4.2Å; F8-F60 HydrophobicContact CD2-CB 3.73Å; F8-F60 AromaticContact CD2-CD1 3.82Å; F8-F60 HydrophobicContact CD2-CD1 3.82Å; F8-F60 HydrophobicContact CD2-CD2 4.4Å; F8-F60 AromaticContact CD2-CG 3.7Å; F8-F60 HydrophobicContact CD2-CG 3.7Å; F8-F60 HydrophobicContact CE2-CB 3.97Å; F8-F60 HydrophobicContact CE2-CG 4.4Å; F8-F60 HydrophobicContact CG-CD1 4.48Å; I19-F60 HydrophobicContact CD1-CD2 4.14Å; I19-F60 HydrophobicContact CD1-CG 4.48Å; L24-F60 HydrophobicContact CD2-CD2 3.48Å; L24-F60 VanDerWaalsContact CD2-CD2 3.48Å; L24-F60 HydrophobicContact CD2-CE2 4.07Å; I27-F60 HydrophobicContact CD1-CD2 4.43Å; I27-F60 HydrophobicContact CD1-CE2 3.72Å; I27-F60 HydrophobicContact CG2-CE2 4.2Å; I27-F60 HydrophobicContact CG2-CZ 4.37Å; V55-F60 HydrophobicContact CG2-CB 4.38Å; N56-F60 WeakPolarHBondContact O-CB 3.21Å; N56-F60 PolarHBondContact O-N 3.09Å; D58-F60 VanDerWaalsContact C-N 3.34Å; D58-F60 PolarHBondContact O-N 3.15Å; F60-A64 HydrophobicContact CE1-CB 4.31Å; F60-A64 HydrophobicContact CZ-CB 4.32Å; F60-A64 WeakPolarHBondContact O-CB 3.36Å; F60-A64 PolarHBondContact O-N 3.04Å
61C81.8Confident78.1Confident28 Ų2858 Ų5819%0.18931%0.307CS..Hα-helixtrans-65.9-39.4177.1-83.40000112.3F57 D58 G59 A65F57-C61 WeakPolarHBondContact CZ-SG 3.46Å; F57-C61 WeakPolarHBondContact O-CB 3.24Å; F57-C61 PolarHBondContact O-N 3.18Å; F57-C61 PolarHBondContact O-SG 2.91Å; D58-C61 CarbonylContact O-C 3.6Å; D58-C61 WeakPolarHBondContact O-CA 3.35Å; D58-C61 WeakPolarHBondContact O-CB 3.48Å; D58-C61 PolarHBondContact O-N 3.35Å; G59-C61 VanDerWaalsContact C-N 3.34Å; G59-C61 PolarHBondContact O-N 2.81Å; C61-A65 WeakPolarHBondContact O-CA 3.16Å; C61-A65 WeakPolarHBondContact O-CB 2.97Å; C61-A65 PolarHBondContact O-N 3.39Å
62S82.6Confident76.6Confident55 Ų5557.3 Ų57.339%0.38530%0.303SS..Hα-helixtrans-63.9-47.2176.4-66.20000111.7N47 D58 G59 A65 H66N47-S62 WeakPolarHBondContact OD1-CB 3Å; D58-S62 PolarHBondContact O-N 3.45Å; D58-S62 PolarHBondContact O-OG 3.03Å; G59-S62 PolarHBondContact O-N 3.36Å; S62-A65 PolarHBondContact O-N 3.09Å; S62-H66 PolarHBondContact O-N 2.97Å
63I82.1Confident75Confident2 Ų256.9 Ų56.91%0.0131%0.307CS..Hα-helixtrans-64.8-48.5177.3-63.1168.6000110L24 L40 L43 I44 N47 V55 G59 A65 H66 F67L24-I63 HydrophobicContact CD1-CD1 3.63Å; L40-I63 HydrophobicContact CD1-CG2 3.84Å; L43-I63 HydrophobicContact CB-CG1 4.06Å; L43-I63 HydrophobicContact CB-CG2 4.47Å; I44-I63 HydrophobicContact CG1-CD1 4.14Å; N47-I63 HydrophobicContact CB-CD1 4.14Å; N47-I63 HydrophobicContact CB-CG1 4.41Å; V55-I63 HydrophobicContact CG1-CD1 4.1Å; G59-I63 WeakPolarHBondContact O-CB 3.14Å; G59-I63 WeakPolarHBondContact O-CD1 3.38Å; G59-I63 WeakPolarHBondContact O-CG1 3.43Å; G59-I63 PolarHBondContact O-N 3.43Å; I63-A65 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 3.44Å; I63-H66 PolarHBondContact O-N 3.14Å; I63-F67 HydrophobicContact CG2-CD2 3.95Å; I63-F67 HydrophobicContact CG2-CE2 3.75Å; I63-F67 WeakPolarHBondContact O-CD2 3.22Å; I63-F67 PolarHBondContact O-N 2.99Å
64A77.8Confident73.6Confident3 Ų361.4 Ų61.43%0.02532%0.321CS..Hα-helixtrans-65.2-36.5179.400000111.8M4 F60 F67 L68M4-A64 HydrophobicContact CE-CB 4.31Å; F60-A64 HydrophobicContact CE1-CB 4.31Å; F60-A64 HydrophobicContact CZ-CB 4.32Å; F60-A64 WeakPolarHBondContact O-CB 3.36Å; F60-A64 PolarHBondContact O-N 3.04Å; A64-F67 PolarHBondContact O-N 2.57Å; A64-L68 HydrophobicContact CB-CD1 3.98Å; A64-L68 WeakPolarHBondContact O-CA 3.27Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 WeakPolarHBondContact O-CD1 3.21Å; A64-L68 WeakPolarHBondContact O-CG 3.2Å; A64-L68 PolarHBondContact O-N 3.25Å
65A76.3Confident72.3Confident30 Ų3058.6 Ų58.625%0.24832%0.317CS..Hα-helixtrans-63.4-45.3175.400000110.8M4 C61 S62 I63 F67 L68 E69M4-A65 HydrophobicContact CE-CB 4.38Å; C61-A65 WeakPolarHBondContact O-CA 3.16Å; C61-A65 WeakPolarHBondContact O-CB 2.97Å; C61-A65 PolarHBondContact O-N 3.39Å; S62-A65 PolarHBondContact O-N 3.09Å; I63-A65 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 3.44Å; A65-F67 PolarHBondContact O-N 2.77Å; A65-L68 PolarHBondContact O-N 3.38Å; A65-E69 WeakPolarHBondContact O-CB 3.46Å; A65-E69 WeakPolarHBondContact O-CG 3.48Å; A65-E69 PolarHBondContact O-N 2.83Å
66H77.9Confident71Confident79 Ų7962.3 Ų62.337%0.36634%0.336SS..Hα-helixtrans-56.6-38.5177.6-176.695.3000112.8E39 L43 S62 I63E39-H66 IonicContact OE1-CD2 3.6Å; E39-H66 IonicContact OE1-CE1 3.85Å; E39-H66 IonicContact OE1-NE2 2.77Å; E39-H66 PolarHBondContact OE1-NE2 2.92Å; L43-H66 HydrophobicContact CD1-CB 4.08Å; L43-H66 WeakPolarHBondContact CD1-CD2 3.09Å; L43-H66 HydrophobicContact CD2-CB 4.13Å; S62-H66 PolarHBondContact O-N 2.97Å; I63-H66 PolarHBondContact O-N 3.14Å
67F72.2Confident69.9Low13 Ų1363 Ų636%0.05734%0.337CS..Hα-helixtrans-84-36.6176.4-66.3-66.7000113.1L28 Q33 F35 E39 L40 L43 I63 A64 A65 E69L28-F67 HydrophobicContact CD1-CD2 3.53Å; L28-F67 HydrophobicContact CD1-CE2 3.65Å; L28-F67 HydrophobicContact CD1-CG 4.25Å; L28-F67 HydrophobicContact CD1-CZ 4.45Å; L28-F67 HydrophobicContact CD2-CB 3.95Å; L28-F67 HydrophobicContact CD2-CD2 3.87Å; L28-F67 HydrophobicContact CD2-CG 4.12Å; L28-F67 HydrophobicContact CG-CD2 4.36Å; Q33-F67 PolarHBondContact NE2-O 3.36Å; Q33-F67 VanDerWaalsContact OE1-CB 3.28Å; F35-F67 HydrophobicContact CB-CD1 3.82Å; F35-F67 HydrophobicContact CB-CE1 3.39Å; F35-F67 HydrophobicContact CB-CZ 4.1Å; F35-F67 HydrophobicContact CG-CE1 4.17Å; F35-F67 HydrophobicContact CG-CZ 4.5Å; E39-F67 HydrophobicContact CG-CE1 4.41Å; E39-F67 HydrophobicContact CG-CZ 4.46Å; L40-F67 HydrophobicContact CB-CE2 4.42Å; L40-F67 HydrophobicContact CB-CZ 4.01Å; L40-F67 HydrophobicContact CD1-CE2 3.69Å; L40-F67 HydrophobicContact CD1-CZ 4.15Å; L43-F67 HydrophobicContact CD1-CD2 4.17Å; L43-F67 HydrophobicContact CD1-CE1 4.23Å; L43-F67 HydrophobicContact CD1-CE2 3.29Å; L43-F67 HydrophobicContact CD1-CZ 3.33Å; I63-F67 HydrophobicContact CG2-CD2 3.95Å; I63-F67 HydrophobicContact CG2-CE2 3.75Å; I63-F67 WeakPolarHBondContact O-CD2 3.22Å; I63-F67 PolarHBondContact O-N 2.99Å; A64-F67 PolarHBondContact O-N 2.57Å; A65-F67 PolarHBondContact O-N 2.77Å; F67-E69 VanDerWaalsContact C-N 3.32Å; F67-E69 PolarHBondContact O-N 3.42Å
68L65.3Low69.1Low35 Ų3565.8 Ų65.818%0.18335%0.349CS..Hα-helixtrans-79.7-12.6-178.5-64.6169000113.2M4 M31 A64 A65 E70 E71M4-L68 HydrophobicContact CE-CD1 3.64Å; M4-L68 HydrophobicContact CG-CD1 4.49Å; M31-L68 HydrophobicContact CE-CD1 4.16Å; M31-L68 HydrophobicContact CE-CD2 3.61Å; M31-L68 HydrophobicContact CE-CG 4.48Å; A64-L68 HydrophobicContact CB-CD1 3.98Å; A64-L68 WeakPolarHBondContact O-CA 3.27Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 WeakPolarHBondContact O-CD1 3.21Å; A64-L68 WeakPolarHBondContact O-CG 3.2Å; A64-L68 PolarHBondContact O-N 3.25Å; A65-L68 PolarHBondContact O-N 3.38Å; L68-E70 PolarHBondContact O-N 3.26Å; L68-E71 PolarHBondContact O-N 2.79Å
69E59.2Low68.5Low147 Ų14766.9 Ų66.969%0.68735%0.35SS*.THydrogen-bonded Turntrans-63.4-20.8178-92.617586.100113.1A65 F67A65-E69 WeakPolarHBondContact O-CB 3.46Å; A65-E69 WeakPolarHBondContact O-CG 3.48Å; A65-E69 PolarHBondContact O-N 2.83Å; F67-E69 VanDerWaalsContact C-N 3.32Å; F67-E69 PolarHBondContact O-N 3.42Å
70E51.1Low67.9Low138 Ų13867.9 Ų67.965%0.64536%0.355SS*.THydrogen-bonded Turntrans-97.7-21.3177-69.1-169.8115.200114.3L68 E74L68-E70 PolarHBondContact O-N 3.26Å; E70-E74 PolarHBondContact O-N 3.04Å
71E50.8Low67.4Low77 Ų7772.7 Ų72.736%0.3638%0.376SS..Hα-helixtrans-83.3-24.1-174.3-96.4-167.2122.900114.7Q33 L68 A75Q33-E71 WeakPolarHBondContact CG-OE2 3.39Å; Q33-E71 PolarHBondContact NE2-OE2 3.28Å; L68-E71 PolarHBondContact O-N 2.79Å; E71-A75 WeakPolarHBondContact O-CB 3.1Å; E71-A75 PolarHBondContact O-N 3.07Å
72D53.5Low67.2Low116 Ų11677.3 Ų77.362%0.6240%0.395SS*.Hα-helixtrans-76.6-43.9176.2-106.3-98.5000110.7I76D72-I76 HydrophobicContact CB-CD1 4.42Å; D72-I76 WeakPolarHBondContact O-CB 3.36Å; D72-I76 WeakPolarHBondContact O-CD1 3.06Å; D72-I76 WeakPolarHBondContact O-CG1 3.48Å; D72-I76 PolarHBondContact O-N 3.17Å
73A54.3Low66.8Low67 Ų6776.1 Ų76.155%0.55439%0.388SS*.Hα-helixtrans-72.9-46.3-176.200000113.2Q77A73-Q77 WeakPolarHBondContact O-CB 3.06Å; A73-Q77 PolarHBondContact O-N 3.22Å
74E56.1Low66.5Low124 Ų12476.5 Ų76.558%0.57939%0.39SS*.Hα-helixtrans-74.3-35.4-178.9-87.6-177.261.300113E70 K78E70-E74 PolarHBondContact O-N 3.04Å; E74-K78 WeakPolarHBondContact O-CB 2.89Å; E74-K78 PolarHBondContact O-N 3.03Å
75A61.3Low66.6Low44 Ų4485.3 Ų85.336%0.36442%0.422SS..Hα-helixtrans-68.5-45.2174.700000110.9E71 K78 E79E71-A75 WeakPolarHBondContact O-CB 3.1Å; E71-A75 PolarHBondContact O-N 3.07Å; A75-K78 PolarHBondContact O-N 3.04Å; A75-E79 WeakPolarHBondContact O-CG 3.37Å; A75-E79 PolarHBondContact O-N 3.31Å
76I62.7Low66.6Low80 Ų8089.9 Ų89.941%0.4144%0.442SS..Hα-helixtrans-61.6-46.8174.5-67.8168.7000109.8D72 K78 E79 L80D72-I76 HydrophobicContact CB-CD1 4.42Å; D72-I76 WeakPolarHBondContact O-CB 3.36Å; D72-I76 WeakPolarHBondContact O-CD1 3.06Å; D72-I76 WeakPolarHBondContact O-CG1 3.48Å; D72-I76 PolarHBondContact O-N 3.17Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.09Å; I76-E79 PolarHBondContact O-N 3.06Å; I76-L80 HydrophobicContact CG2-CD1 3.6Å; I76-L80 HydrophobicContact CG2-CG 4.01Å; I76-L80 VanDerWaalsContact O-CB 3.27Å; I76-L80 WeakPolarHBondContact O-CB 3.02Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.16Å
77Q64.9Low66.5Low85 Ų8589 Ų8940%0.39744%0.436SS..Hα-helixtrans-59.9-39177.8-170.3-178.445.800111.4A73 K81 F133 M137A73-Q77 WeakPolarHBondContact O-CB 3.06Å; A73-Q77 PolarHBondContact O-N 3.22Å; Q77-K81 WeakPolarHBondContact O-CB 3.45Å; Q77-K81 PolarHBondContact O-N 3.06Å; Q77-F133 HydrophobicContact CG-CE1 3.86Å; Q77-F133 HydrophobicContact CG-CZ 3.76Å; Q77-M137 HydrophobicContact CG-SD 4.35Å
78K67.6Low66.9Low136 Ų13689.2 Ų89.259%0.59144%0.437SS*.Hα-helixtrans-68.7-45.1177-174.7-179.6173.9-171.60112.1E74 A75 I76 K81 E82E74-K78 WeakPolarHBondContact O-CB 2.89Å; E74-K78 PolarHBondContact O-N 3.03Å; A75-K78 PolarHBondContact O-N 3.04Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.09Å; K78-K81 PolarHBondContact O-N 3.11Å; K78-E82 WeakPolarHBondContact O-CG 3.26Å; K78-E82 PolarHBondContact O-N 3.47Å
79E70.4Confident67Low137 Ų13797.6 Ų97.664%0.6447%0.467SS*.Hα-helixtrans-62.8-43.2175.5-72.8-163.197.400111.4A75 I76 K81 E82 A83A75-E79 WeakPolarHBondContact O-CG 3.37Å; A75-E79 PolarHBondContact O-N 3.31Å; I76-E79 PolarHBondContact O-N 3.06Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.05Å; E79-E82 PolarHBondContact O-N 3.33Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 3.33Å
80L71.9Confident67.8Low22 Ų2297.6 Ų97.612%0.11547%0.467CS..Hα-helixtrans-62.6-37.5173.8-70.3176.3000111.5I76 A83 F84 F133 F136 M137 M140I76-L80 HydrophobicContact CG2-CD1 3.6Å; I76-L80 HydrophobicContact CG2-CG 4.01Å; I76-L80 VanDerWaalsContact O-CB 3.27Å; I76-L80 WeakPolarHBondContact O-CB 3.02Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.16Å; L80-A83 PolarHBondContact O-N 3.46Å; L80-F84 WeakPolarHBondContact O-CB 3.36Å; L80-F84 PolarHBondContact O-N 3.25Å; L80-F133 HydrophobicContact CB-CE2 4.38Å; L80-F136 HydrophobicContact CB-CE1 4.43Å; L80-F136 HydrophobicContact CD2-CE1 4.05Å; L80-M137 HydrophobicContact CD1-CG 4.07Å; L80-M140 HydrophobicContact CD1-CB 4.49Å; L80-M140 HydrophobicContact CD2-CB 3.73Å; L80-M140 HydrophobicContact CD2-CE 3.65Å; L80-M140 HydrophobicContact CD2-CG 3.77Å
81K75.4Confident68.9Low109 Ų10994.1 Ų94.147%0.47447%0.468SS..Hα-helixtrans-72.3-33.9177.5-165.5169.8-167.3164.30112.8Q77 K78 E79 R85 F133Q77-K81 WeakPolarHBondContact O-CB 3.45Å; Q77-K81 PolarHBondContact O-N 3.06Å; K78-K81 PolarHBondContact O-N 3.11Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.05Å; K81-R85 WeakPolarHBondContact O-CB 3.48Å; K81-R85 WeakPolarHBondContact O-CG 3.49Å; K81-R85 PolarHBondContact O-N 3.41Å; K81-F133 HydrophobicContact CB-CE2 3.8Å; K81-F133 HydrophobicContact CB-CZ 4.01Å; K81-F133 HydrophobicContact CG-CE2 4.19Å; K81-F133 HydrophobicContact CG-CZ 4.46Å
82E77.6Confident70.3Confident125 Ų12594 Ų9458%0.58447%0.47SS*.Hα-helixtrans-69.6-41.7171.4-73.4-169.782.700111.4K78 E79 R85 L86K78-E82 WeakPolarHBondContact O-CG 3.26Å; K78-E82 PolarHBondContact O-N 3.47Å; E79-E82 PolarHBondContact O-N 3.33Å; E82-R85 PolarHBondContact O-N 3.49Å; E82-L86 PolarHBondContact O-N 3.22Å; E82-L86 VanDerWaalsContact O-N 3.09Å
83A74.1Confident71.6Confident29 Ų2990.7 Ų90.724%0.2446%0.463CS..Hα-helixtrans-61.5-47.6172.200000111.1E79 L80 R85 L86 Y87E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 3.33Å; L80-A83 PolarHBondContact O-N 3.46Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 2.71Å; A83-L86 WeakPolarHBondContact O-CA 3.45Å; A83-L86 VanDerWaalsContact O-CB 3.22Å; A83-L86 WeakPolarHBondContact O-CB 3.15Å; A83-L86 PolarHBondContact O-N 3.4Å; A83-Y87 HydrophobicContact CB-CE2 4.14Å; A83-Y87 WeakPolarHBondContact O-CD2 3.4Å; A83-Y87 WeakPolarHBondContact O-CE2 3.43Å; A83-Y87 PolarHBondContact O-N 2.9Å
84F76.8Confident73Confident10 Ų1092 Ų924%0.04445%0.454CS..Hα-helixtrans-57.6-43.6176.7-172.7-91.3000111.9L80 L86 Y87 D88 I95 F133 F136L80-F84 WeakPolarHBondContact O-CB 3.36Å; L80-F84 PolarHBondContact O-N 3.25Å; F84-L86 VanDerWaalsContact C-N 3.27Å; F84-L86 PolarHBondContact O-N 3.19Å; F84-Y87 CarbonylContact O-C 3.59Å; F84-Y87 PolarHBondContact O-N 2.75Å; F84-D88 HydrophobicContact CD1-CB 4.37Å; F84-D88 HydrophobicContact CE1-CB 4.23Å; F84-D88 WeakPolarHBondContact O-CB 3.44Å; F84-D88 PolarHBondContact O-N 3.06Å; F84-I95 HydrophobicContact CD2-CD1 3.43Å; F84-I95 VanDerWaalsContact CD2-CD1 3.43Å; F84-I95 HydrophobicContact CD2-CG1 4.05Å; F84-I95 HydrophobicContact CE2-CD1 3.5Å; F84-I95 HydrophobicContact CE2-CG1 3.69Å; F84-I95 HydrophobicContact CG-CD1 4.16Å; F84-I95 HydrophobicContact CZ-CD1 4.26Å; F84-I95 HydrophobicContact CZ-CG1 3.96Å; F84-F133 HydrophobicContact CB-CD2 4.23Å; F84-F133 HydrophobicContact CB-CE2 4.46Å; F84-F133 HydrophobicContact CD1-CD2 4.47Å; F84-F133 HydrophobicContact CD2-CD2 4.24Å; F84-F133 HydrophobicContact CG-CD2 4.08Å; F84-F136 HydrophobicContact CB-CD1 4.36Å; F84-F136 HydrophobicContact CB-CE1 4.34Å; F84-F136 HydrophobicContact CD2-CB 3.88Å; F84-F136 AromaticContact CD2-CD1 3.93Å; F84-F136 HydrophobicContact CD2-CD1 3.93Å; F84-F136 HydrophobicContact CD2-CD2 4.21Å; F84-F136 AromaticContact CD2-CG 3.74Å; F84-F136 HydrophobicContact CD2-CG 3.74Å; F84-F136 HydrophobicContact CE2-CB 4.04Å; F84-F136 HydrophobicContact CE2-CG 4.34Å
85R78.7Confident74.5Confident188 Ų18886.2 Ų86.271%0.70943%0.427SS*.Hα-helixtrans-64.3-28.3174.2-84.1-177.7174.2-174.4-0.3114.2K81 E82 A83K81-R85 WeakPolarHBondContact O-CB 3.48Å; K81-R85 WeakPolarHBondContact O-CG 3.49Å; K81-R85 PolarHBondContact O-N 3.41Å; E82-R85 PolarHBondContact O-N 3.49Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 2.71Å
86L76.8Confident75.7Confident127 Ų12786 Ų8667%0.66542%0.421SS*.Hα-helixtrans-67.7-31.3174.3-169.868.3000111.1E82 A83 F84E82-L86 PolarHBondContact O-N 3.22Å; E82-L86 VanDerWaalsContact O-N 3.09Å; A83-L86 WeakPolarHBondContact O-CA 3.45Å; A83-L86 VanDerWaalsContact O-CB 3.22Å; A83-L86 WeakPolarHBondContact O-CB 3.15Å; A83-L86 PolarHBondContact O-N 3.4Å; F84-L86 VanDerWaalsContact C-N 3.27Å; F84-L86 PolarHBondContact O-N 3.19Å
87Y75.6Confident76.9Confident61 Ų6183.7 Ų83.724%0.23941%0.411CS..Hα-helixtrans-90.1-36.6-178-57.7-49.1000112.8A83 F84 R89 I95 I103 F136A83-Y87 HydrophobicContact CB-CE2 4.14Å; A83-Y87 WeakPolarHBondContact O-CD2 3.4Å; A83-Y87 WeakPolarHBondContact O-CE2 3.43Å; A83-Y87 PolarHBondContact O-N 2.9Å; F84-Y87 CarbonylContact O-C 3.59Å; F84-Y87 PolarHBondContact O-N 2.75Å; Y87-R89 VanDerWaalsContact C-N 3.27Å; Y87-R89 PolarHBondContact O-N 2.77Å; Y87-I95 HydrophobicContact CD2-CD1 4.42Å; Y87-I95 HydrophobicContact CG-CD1 4.45Å; Y87-I103 HydrophobicContact CD1-CD1 3.27Å; Y87-I103 HydrophobicContact CD1-CG1 3.84Å; Y87-I103 HydrophobicContact CD1-CG2 4.06Å; Y87-I103 HydrophobicContact CE1-CD1 4.08Å; Y87-I103 HydrophobicContact CE1-CG1 4.26Å; Y87-I103 HydrophobicContact CE1-CG2 3.69Å; Y87-I103 HydrophobicContact CG-CD1 3.62Å; Y87-F136 HydrophobicContact CD2-CE2 4.28Å; Y87-F136 HydrophobicContact CD2-CZ 4.23Å; Y87-F136 HydrophobicContact CE2-CE2 4.46Å; Y87-F136 HydrophobicContact CE2-CZ 4.18Å
88D80.2Confident77.9Confident16 Ų1683.5 Ų83.59%0.08642%0.419CS..  trans-75.576.9170.9-172.1-18.9000110.8F84 E90 G91 N92 G93 Y94 I95F84-D88 HydrophobicContact CD1-CB 4.37Å; F84-D88 HydrophobicContact CE1-CB 4.23Å; F84-D88 WeakPolarHBondContact O-CB 3.44Å; F84-D88 PolarHBondContact O-N 3.06Å; D88-E90 PolarHBondContact O-N 2.73Å; D88-E90 PolarHBondContact OD1-N 3.45Å; D88-G91 PolarHBondContact O-N 2.86Å; D88-G91 VanDerWaalsContact OD1-CA 3.29Å; D88-G91 WeakPolarHBondContact OD1-CA 3.42Å; D88-G91 PolarHBondContact OD1-N 2.6Å; D88-N92 PolarHBondContact OD1-N 2.83Å; D88-N92 PolarHBondContact OD2-N 2.92Å; D88-G93 VanDerWaalsContact OD2-CA 3.23Å; D88-G93 WeakPolarHBondContact OD2-CA 3.28Å; D88-G93 PolarHBondContact OD2-N 3.38Å; D88-Y94 PolarHBondContact OD2-N 2.91Å; D88-I95 HydrophobicContact CB-CG1 4.36Å
89R69.1Low78.7Confident212 Ų21278.5 Ų78.580%0.840%0.4SS*.THydrogen-bonded Turntrans-63.1-22.9-179.5-67.9-176.6179.7164.83.7113.6Y87Y87-R89 VanDerWaalsContact C-N 3.27Å; Y87-R89 PolarHBondContact O-N 2.77Å
90E75.3Confident79.4Confident147 Ų14772.2 Ų72.269%0.68737%0.37SS*.THydrogen-bonded Turntrans-94-14.3-176.6-67.4-173.284.300112.6D88 N92D88-E90 PolarHBondContact O-N 2.73Å; D88-E90 PolarHBondContact OD1-N 3.45Å; E90-N92 VanDerWaalsContact C-N 3.32Å; E90-N92 WeakPolarHBondContact CB-ND2 3.44Å
91G74.9Confident80.1Confident64 Ų6473.8 Ų73.866%0.6638%0.376SS*.  trans70.626.1-178.600000113.5D88 G93D88-G91 PolarHBondContact O-N 2.86Å; D88-G91 VanDerWaalsContact OD1-CA 3.29Å; D88-G91 WeakPolarHBondContact OD1-CA 3.42Å; D88-G91 PolarHBondContact OD1-N 2.6Å; G91-G93 VanDerWaalsContact C-N 3.33Å
92N78.6Confident80.6Confident75 Ų7574.9 Ų74.940%0.40138%0.383SS..SBendtrans-83.4-10.9-173-64.7-36.5000113.2D88 E90 Y94D88-N92 PolarHBondContact OD1-N 2.83Å; D88-N92 PolarHBondContact OD2-N 2.92Å; E90-N92 VanDerWaalsContact C-N 3.32Å; E90-N92 WeakPolarHBondContact CB-ND2 3.44Å; N92-Y94 HydrophobicContact CB-CD1 3.94Å; N92-Y94 HydrophobicContact CB-CD2 4.42Å; N92-Y94 HydrophobicContact CB-CE1 3.45Å; N92-Y94 VanDerWaalsContact CB-CE1 3.45Å; N92-Y94 HydrophobicContact CB-CE2 3.97Å; N92-Y94 HydrophobicContact CB-CG 4.4Å; N92-Y94 VanDerWaalsContact CB-CZ 3.45Å; N92-Y94 WeakPolarHBondContact O-CD1 3.48Å
93G81.4Confident80.8Confident46 Ų4670 Ų7047%0.47436%0.361SS..SBendtrans88.311.6-175.300000114.1D88 G91D88-G93 VanDerWaalsContact OD2-CA 3.23Å; D88-G93 WeakPolarHBondContact OD2-CA 3.28Å; D88-G93 PolarHBondContact OD2-N 3.38Å; G91-G93 VanDerWaalsContact C-N 3.33Å
94Y83.8Confident81.2Confident96 Ų9669.5 Ų69.538%0.37635%0.354SS..SBendtrans-151147.3-178.755.2-99.3000111D88 N92 T130D88-Y94 PolarHBondContact OD2-N 2.91Å; N92-Y94 HydrophobicContact CB-CD1 3.94Å; N92-Y94 HydrophobicContact CB-CD2 4.42Å; N92-Y94 HydrophobicContact CB-CE1 3.45Å; N92-Y94 VanDerWaalsContact CB-CE1 3.45Å; N92-Y94 HydrophobicContact CB-CE2 3.97Å; N92-Y94 HydrophobicContact CB-CG 4.4Å; N92-Y94 VanDerWaalsContact CB-CZ 3.45Å; N92-Y94 WeakPolarHBondContact O-CD1 3.48Å; Y94-T130 HydrophobicContact CD2-CG2 3.58Å; Y94-T130 HydrophobicContact CE2-CG2 4.03Å; Y94-T130 HydrophobicContact CG-CG2 4.26Å
95I86.8Confident81.6Confident2 Ų270.8 Ų70.81%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-101.5124.3175.3-58.6166.9000107.9F84 Y87 D88 T99 L100 T130 V131 F136F84-I95 HydrophobicContact CD2-CD1 3.43Å; F84-I95 VanDerWaalsContact CD2-CD1 3.43Å; F84-I95 HydrophobicContact CD2-CG1 4.05Å; F84-I95 HydrophobicContact CE2-CD1 3.5Å; F84-I95 HydrophobicContact CE2-CG1 3.69Å; F84-I95 HydrophobicContact CG-CD1 4.16Å; F84-I95 HydrophobicContact CZ-CD1 4.26Å; F84-I95 HydrophobicContact CZ-CG1 3.96Å; Y87-I95 HydrophobicContact CD2-CD1 4.42Å; Y87-I95 HydrophobicContact CG-CD1 4.45Å; D88-I95 HydrophobicContact CB-CG1 4.36Å; I95-T99 HydrophobicContact CG2-CG2 4.11Å; I95-L100 HydrophobicContact CG2-CB 4.01Å; I95-T130 CarbonylContact O-C 3.52Å; I95-T130 WeakPolarHBondContact O-CA 3.05Å; I95-V131 PolarHBondContact N-O 3.06Å; I95-V131 PolarHBondContact O-N 3.33Å; I95-F136 HydrophobicContact CD1-CD2 4.25Å; I95-F136 HydrophobicContact CD1-CE2 4.46Å
96T87.4Confident81.7Confident40 Ų4066 Ų6625%0.24537%0.367CS..EExtended strand (participates in β ladder)trans-67.2144.9175.672.10000110.6S98 T99 L100 T130T96-S98 PolarHBondContact O-N 3.36Å; T96-S98 VanDerWaalsContact O-N 3.08Å; T96-T99 WeakPolarHBondContact O-CA 3.42Å; T96-T99 WeakPolarHBondContact O-CB 3.42Å; T96-T99 PolarHBondContact O-N 3.42Å; T96-T99 PolarHBondContact OG1-N 3.15Å; T96-T99 PolarHBondContact OG1-OG1 3.4Å; T96-L100 PolarHBondContact O-N 3.13Å; T96-T130 HydrophobicContact CG2-CG2 4.49Å
97T87.3Confident81.8Confident31 Ų3165.8 Ų65.819%0.1937%0.366CS..Hα-helixtrans-52.6-33175.647.80000112.8K101 I120 D124 G129T97-K101 VanDerWaalsContact O-CB 3.25Å; T97-K101 WeakPolarHBondContact O-CB 3.42Å; T97-K101 PolarHBondContact O-N 3.36Å; T97-I120 HydrophobicContact CG2-CG2 3.51Å; T97-D124 HydrophobicContact CG2-CB 4.35Å; T97-G129 VanDerWaalsContact CG2-C 3.47Å; T97-G129 WeakPolarHBondContact CG2-O 3.13Å; T97-G129 PolarHBondContact N-O 3.28Å; T97-G129 PolarHBondContact OG1-O 3.48Å
98S86.2Confident81.9Confident81 Ų8166.3 Ų66.357%0.56637%0.373SS*.Hα-helixtrans-65.2-45174-63.20000112.4T96 K101 E102T96-S98 PolarHBondContact O-N 3.36Å; T96-S98 VanDerWaalsContact O-N 3.08Å; S98-K101 PolarHBondContact O-N 3.47Å; S98-E102 PolarHBondContact O-N 2.96Å; S98-E102 VanDerWaalsContact O-N 3.09Å
99T85.2Confident82Confident30 Ų3073 Ų7318%0.18441%0.408CS..Hα-helixtrans-65.5-44.1176.8-55.40000111.5I95 T96 K101 E102 I103I95-T99 HydrophobicContact CG2-CG2 4.11Å; T96-T99 WeakPolarHBondContact O-CA 3.42Å; T96-T99 WeakPolarHBondContact O-CB 3.42Å; T96-T99 PolarHBondContact O-N 3.42Å; T96-T99 PolarHBondContact OG1-N 3.15Å; T96-T99 PolarHBondContact OG1-OG1 3.4Å; T99-K101 VanDerWaalsContact C-N 3.3Å; T99-K101 PolarHBondContact O-N 3.14Å; T99-E102 PolarHBondContact O-N 3.18Å; T99-I103 HydrophobicContact CG2-CD1 3.93Å; T99-I103 WeakPolarHBondContact O-CD1 3.35Å; T99-I103 VanDerWaalsContact O-CG1 3.29Å; T99-I103 WeakPolarHBondContact O-CG1 3.35Å; T99-I103 PolarHBondContact O-N 3.45Å
100L84.9Confident82.7Confident5 Ų571.6 Ų71.63%0.02641%0.408CS..Hα-helixtrans-61.4-40.7177.4-174.258.9000111.4I95 T96 E102 I103 L104 I120 I123 V131I95-L100 HydrophobicContact CG2-CB 4.01Å; T96-L100 PolarHBondContact O-N 3.13Å; L100-E102 PolarHBondContact O-N 2.94Å; L100-I103 PolarHBondContact O-N 3.04Å; L100-L104 HydrophobicContact CD1-CG 4.47Å; L100-L104 HydrophobicContact CG-CD1 4.16Å; L100-L104 WeakPolarHBondContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.24Å; L100-L104 PolarHBondContact O-N 2.75Å; L100-I120 HydrophobicContact CB-CD1 3.74Å; L100-I120 HydrophobicContact CD2-CD1 3.53Å; L100-I120 HydrophobicContact CG-CD1 3.6Å; L100-I123 HydrophobicContact CD2-CD1 4.07Å; L100-V131 HydrophobicContact CD2-CB 4.33Å; L100-V131 HydrophobicContact CD2-CG1 4.48Å; L100-V131 HydrophobicContact CD2-CG2 3.67Å
101K85.9Confident83.1Confident55 Ų5567.3 Ų67.324%0.23939%0.39CS..Hα-helixtrans-60.7-41.9174.4-174.5164.1-167.41670113T97 S98 T99 I103 A105 S113 L116 D117 I120T97-K101 VanDerWaalsContact O-CB 3.25Å; T97-K101 WeakPolarHBondContact O-CB 3.42Å; T97-K101 PolarHBondContact O-N 3.36Å; S98-K101 PolarHBondContact O-N 3.47Å; T99-K101 VanDerWaalsContact C-N 3.3Å; T99-K101 PolarHBondContact O-N 3.14Å; K101-I103 VanDerWaalsContact C-N 3.35Å; K101-A105 WeakPolarHBondContact O-CB 3.44Å; K101-A105 PolarHBondContact O-N 2.81Å; K101-S113 PolarHBondContact NZ-O 2.8Å; K101-S113 VanDerWaalsContact NZ-O 3.13Å; K101-L116 HydrophobicContact CD-CB 4.3Å; K101-L116 HydrophobicContact CG-CB 4Å; K101-L116 HydrophobicContact CG-CD1 3.97Å; K101-D117 IonicContact NZ-OD2 2.65Å; K101-D117 PolarHBondContact NZ-OD2 3.16Å; K101-I120 HydrophobicContact CB-CG1 4.48Å
102E85.6Confident83.8Confident132 Ų13266.8 Ų66.862%0.61738%0.376SS*.Hα-helixtrans-64.3-38.9174.4-71.8-171.3101.200112.2S98 T99 L100 A106S98-E102 PolarHBondContact O-N 2.96Å; S98-E102 VanDerWaalsContact O-N 3.09Å; T99-E102 PolarHBondContact O-N 3.18Å; L100-E102 PolarHBondContact O-N 2.94Å; E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 2.85Å
103I82.1Confident84.1Confident24 Ų2467.2 Ų67.212%0.12339%0.385CS..Hα-helixtrans-66.3-48.4178.1-66.5156.5000110.7Y87 T99 L100 K101 A105 A106 L107Y87-I103 HydrophobicContact CD1-CD1 3.27Å; Y87-I103 HydrophobicContact CD1-CG1 3.84Å; Y87-I103 HydrophobicContact CD1-CG2 4.06Å; Y87-I103 HydrophobicContact CE1-CD1 4.08Å; Y87-I103 HydrophobicContact CE1-CG1 4.26Å; Y87-I103 HydrophobicContact CE1-CG2 3.69Å; Y87-I103 HydrophobicContact CG-CD1 3.62Å; T99-I103 HydrophobicContact CG2-CD1 3.93Å; T99-I103 WeakPolarHBondContact O-CD1 3.35Å; T99-I103 VanDerWaalsContact O-CG1 3.29Å; T99-I103 WeakPolarHBondContact O-CG1 3.35Å; T99-I103 PolarHBondContact O-N 3.45Å; L100-I103 PolarHBondContact O-N 3.04Å; K101-I103 VanDerWaalsContact C-N 3.35Å; I103-A105 VanDerWaalsContact C-N 3.34Å; I103-A105 PolarHBondContact O-N 3.38Å; I103-A106 CarbonylContact O-C 3.6Å; I103-A106 WeakPolarHBondContact O-CB 3.28Å; I103-A106 PolarHBondContact O-N 3.5Å; I103-A106 VanDerWaalsContact O-N 3.09Å; I103-L107 HydrophobicContact CG2-CD1 3.89Å; I103-L107 HydrophobicContact CG2-CG 4.42Å; I103-L107 WeakPolarHBondContact O-CG 3.3Å; I103-L107 PolarHBondContact O-N 3.39Å
104L82.7Confident84.4Confident18 Ų1869.3 Ų69.39%0.09439%0.392CS..Hα-helixtrans-61.6-41.6179.3-72.2171.5000111.8L100 A106 L107 D108 L116 I119 I120 M139L100-L104 HydrophobicContact CD1-CG 4.47Å; L100-L104 HydrophobicContact CG-CD1 4.16Å; L100-L104 WeakPolarHBondContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.24Å; L100-L104 PolarHBondContact O-N 2.75Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.91Å; L104-L107 PolarHBondContact O-N 3.05Å; L104-D108 PolarHBondContact O-N 2.85Å; L104-L116 HydrophobicContact CB-CD2 3.4Å; L104-L116 HydrophobicContact CD1-CD2 4.23Å; L104-L116 HydrophobicContact CG-CD2 4.45Å; L104-I119 HydrophobicContact CD1-CB 4.45Å; L104-I119 HydrophobicContact CD1-CG2 3.76Å; L104-I120 HydrophobicContact CD1-CD1 4.27Å; L104-M139 HydrophobicContact CD2-CE 4.07Å
105A84.5Confident84.6Confident36 Ų3668.7 Ų68.730%0.29840%0.395SS..Hα-helixtrans-64.1-34.4173.700000112.7K101 I103 D108 L116K101-A105 WeakPolarHBondContact O-CB 3.44Å; K101-A105 PolarHBondContact O-N 2.81Å; I103-A105 VanDerWaalsContact C-N 3.34Å; I103-A105 PolarHBondContact O-N 3.38Å; A105-D108 CarbonylContact O-C 3.57Å; A105-L116 HydrophobicContact CB-CD1 3.9Å
106A80.8Confident84.6Confident88 Ų8869 Ų6973%0.72740%0.397SS*.Hα-helixtrans-74.9-28.1176.500000113.2E102 I103 L104E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 2.85Å; I103-A106 CarbonylContact O-C 3.6Å; I103-A106 WeakPolarHBondContact O-CB 3.28Å; I103-A106 PolarHBondContact O-N 3.5Å; I103-A106 VanDerWaalsContact O-N 3.09Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.91Å
107L78.8Confident84.6Confident123 Ų12371.7 Ų71.764%0.64441%0.41SS*.Hα-helixtrans-77.1-41.9176.1-75.4168.5000111.8I103 L104I103-L107 HydrophobicContact CG2-CD1 3.89Å; I103-L107 HydrophobicContact CG2-CG 4.42Å; I103-L107 WeakPolarHBondContact O-CG 3.3Å; I103-L107 PolarHBondContact O-N 3.39Å; L104-L107 PolarHBondContact O-N 3.05Å
108D79.3Confident84.5Confident71 Ų7172.2 Ų72.238%0.3842%0.422SS..  trans-140.1100.9177.5-158.8-76.5000111.8L104 A105 K110 L111L104-D108 PolarHBondContact O-N 2.85Å; A105-D108 CarbonylContact O-C 3.57Å; D108-K110 PolarHBondContact O-N 3.34Å; D108-K110 WeakPolarHBondContact OD1-CB 3.48Å; D108-K110 PolarHBondContact OD1-N 3.33Å; D108-L111 HydrophobicContact CB-CD1 4.07Å; D108-L111 HydrophobicContact CB-CG 4.19Å; D108-L111 PolarHBondContact O-N 3.49Å
109D80.6Confident84.5Confident156 Ų15670.7 Ų70.783%0.83441%0.407SS*.THydrogen-bonded Turntrans-65.9-7.4-179.3-174.3-110.2000113.4
110K84.6Confident84.5Confident184 Ų18470 Ų7080%0.840%0.402SS*.THydrogen-bonded Turntrans-85.1-14.9178-53.6173.6-178.4161.60112.7D108 S112D108-K110 PolarHBondContact O-N 3.34Å; D108-K110 WeakPolarHBondContact OD1-CB 3.48Å; D108-K110 PolarHBondContact OD1-N 3.33Å; K110-S112 PolarHBondContact O-N 3.19Å
111L84.1Confident84.6Confident57 Ų5773.3 Ų73.330%0.29843%0.43SS..SBendtrans-71121.2176.8-65.8172.8000109.5D108 D115 L116 I119D108-L111 HydrophobicContact CB-CD1 4.07Å; D108-L111 HydrophobicContact CB-CG 4.19Å; D108-L111 PolarHBondContact O-N 3.49Å; L111-D115 HydrophobicContact CD2-CB 4.14Å; L111-L116 HydrophobicContact CB-CD2 3.85Å; L111-L116 HydrophobicContact CB-CG 4.01Å; L111-L116 HydrophobicContact CD1-CD2 3.87Å; L111-I119 HydrophobicContact CD1-CD1 4.12Å; L111-I119 HydrophobicContact CD2-CD1 4.25Å
112S88.7Confident84.6Confident53 Ų5378.3 Ų78.337%0.37145%0.454SS..  trans-74.4163.2176760000110.7K110 S114 D115 L116K110-S112 PolarHBondContact O-N 3.19Å; S112-S114 PolarHBondContact O-N 3.24Å; S112-S114 PolarHBondContact OG-N 3.05Å; S112-D115 VanDerWaalsContact CB-OD2 3.24Å; S112-D115 WeakPolarHBondContact CB-OD2 3.38Å; S112-D115 PolarHBondContact N-OD2 3.33Å; S112-D115 PolarHBondContact O-N 3.25Å; S112-D115 VanDerWaalsContact OG-CG 3.3Å; S112-D115 PolarHBondContact OG-N 2.92Å; S112-D115 PolarHBondContact OG-OD2 3.08Å; S112-L116 WeakPolarHBondContact O-CG 3.42Å; S112-L116 PolarHBondContact O-N 3.26Å
113S85.8Confident84.5Confident84 Ų8472.8 Ų72.859%0.58743%0.428SS*.Hα-helixtrans-55.4-27175.3560000113.7K101 D117K101-S113 PolarHBondContact NZ-O 2.8Å; K101-S113 VanDerWaalsContact NZ-O 3.13Å; S113-D117 PolarHBondContact O-N 3.42Å
114S87.6Confident84.7Confident90 Ų9072.9 Ų72.963%0.62943%0.429SS*.Hα-helixtrans-81-36.5176.6-78.40000112.9S112 L116 D117 G118S112-S114 PolarHBondContact O-N 3.24Å; S112-S114 PolarHBondContact OG-N 3.05Å; S114-L116 VanDerWaalsContact C-N 3.32Å; S114-D117 PolarHBondContact O-N 2.9Å; S114-G118 PolarHBondContact O-N 2.98Å
115D88Confident84.6Confident82 Ų8277.1 Ų77.144%0.43946%0.456SS..Hα-helixtrans-65.2-42.5173.9-57.6-57000110L111 S112 D117 G118 I119L111-D115 HydrophobicContact CD2-CB 4.14Å; S112-D115 VanDerWaalsContact CB-OD2 3.24Å; S112-D115 WeakPolarHBondContact CB-OD2 3.38Å; S112-D115 PolarHBondContact N-OD2 3.33Å; S112-D115 PolarHBondContact O-N 3.25Å; S112-D115 VanDerWaalsContact OG-CG 3.3Å; S112-D115 PolarHBondContact OG-N 2.92Å; S112-D115 PolarHBondContact OG-OD2 3.08Å; D115-D117 PolarHBondContact O-N 2.84Å; D115-G118 PolarHBondContact O-N 3.04Å; D115-I119 VanDerWaalsContact O-CG1 3.28Å; D115-I119 WeakPolarHBondContact O-CG1 3.22Å; D115-I119 PolarHBondContact O-N 3.22Å
116L87.1Confident84.5Confident8 Ų880.4 Ų80.44%0.04247%0.468CS..Hα-helixtrans-61.2-42.3174.3-65.5172.7000112.1K101 L104 A105 L111 S112 S114 G118 I119 I120K101-L116 HydrophobicContact CD-CB 4.3Å; K101-L116 HydrophobicContact CG-CB 4Å; K101-L116 HydrophobicContact CG-CD1 3.97Å; L104-L116 HydrophobicContact CB-CD2 3.4Å; L104-L116 HydrophobicContact CD1-CD2 4.23Å; L104-L116 HydrophobicContact CG-CD2 4.45Å; A105-L116 HydrophobicContact CB-CD1 3.9Å; L111-L116 HydrophobicContact CB-CD2 3.85Å; L111-L116 HydrophobicContact CB-CG 4.01Å; L111-L116 HydrophobicContact CD1-CD2 3.87Å; S112-L116 WeakPolarHBondContact O-CG 3.42Å; S112-L116 PolarHBondContact O-N 3.26Å; S114-L116 VanDerWaalsContact C-N 3.32Å; L116-G118 VanDerWaalsContact C-N 3.29Å; L116-G118 PolarHBondContact O-N 2.94Å; L116-I119 PolarHBondContact O-N 2.97Å; L116-I120 WeakPolarHBondContact O-CB 3.46Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 3.3Å
117D86.7Confident84.7Confident97 Ų9778.9 Ų78.952%0.51946%0.461SS..Hα-helixtrans-62-38.7175.1-119.4-117000111.9K101 S113 S114 D115 A121K101-D117 IonicContact NZ-OD2 2.65Å; K101-D117 PolarHBondContact NZ-OD2 3.16Å; S113-D117 PolarHBondContact O-N 3.42Å; S114-D117 PolarHBondContact O-N 2.9Å; D115-D117 PolarHBondContact O-N 2.84Å; D117-A121 VanDerWaalsContact O-CB 3.31Å; D117-A121 WeakPolarHBondContact O-CB 3.33Å; D117-A121 PolarHBondContact O-N 2.66Å
118G86.4Confident85.1Confident43 Ų4375.6 Ų75.644%0.44345%0.449SS..Hα-helixtrans-64.2-45.7175.600000112.5S114 D115 L116 A121 E122S114-G118 PolarHBondContact O-N 2.98Å; D115-G118 PolarHBondContact O-N 3.04Å; L116-G118 VanDerWaalsContact C-N 3.29Å; L116-G118 PolarHBondContact O-N 2.94Å; G118-A121 PolarHBondContact O-N 2.9Å; G118-E122 PolarHBondContact O-N 3.31Å; G118-E122 VanDerWaalsContact O-N 3.08Å
119I84.5Confident85.4Confident49 Ų4973.5 Ų73.525%0.25144%0.444SS..Hα-helixtrans-62.3-45.5176.8-65.4161.2000110.3L104 L111 D115 L116 A121 E122 I123L104-I119 HydrophobicContact CD1-CB 4.45Å; L104-I119 HydrophobicContact CD1-CG2 3.76Å; L111-I119 HydrophobicContact CD1-CD1 4.12Å; L111-I119 HydrophobicContact CD2-CD1 4.25Å; D115-I119 VanDerWaalsContact O-CG1 3.28Å; D115-I119 WeakPolarHBondContact O-CG1 3.22Å; D115-I119 PolarHBondContact O-N 3.22Å; L116-I119 PolarHBondContact O-N 2.97Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.94Å; I119-E122 PolarHBondContact O-N 3.1Å; I119-I123 HydrophobicContact CG2-CD1 3.65Å; I119-I123 WeakPolarHBondContact O-CD1 3.48Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 2.89Å; I119-I123 VanDerWaalsContact O-N 3.17Å
120I86.9Confident85.8Confident16 Ų1667.8 Ų67.88%0.08242%0.415CS..Hα-helixtrans-61.9-42.8178.3-68-64.3000111.3T97 L100 K101 L104 L116 E122 I123 D124T97-I120 HydrophobicContact CG2-CG2 3.51Å; L100-I120 HydrophobicContact CB-CD1 3.74Å; L100-I120 HydrophobicContact CD2-CD1 3.53Å; L100-I120 HydrophobicContact CG-CD1 3.6Å; K101-I120 HydrophobicContact CB-CG1 4.48Å; L104-I120 HydrophobicContact CD1-CD1 4.27Å; L116-I120 WeakPolarHBondContact O-CB 3.46Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 3.3Å; I120-E122 PolarHBondContact O-N 2.74Å; I120-I123 PolarHBondContact O-N 3.4Å; I120-D124 WeakPolarHBondContact O-CB 3.3Å; I120-D124 PolarHBondContact O-N 3.41Å
121A86.1Confident85.9Confident73 Ų7359 Ų5960%0.60338%0.377SS*.Hα-helixtrans-68.9-21.7179.100000113.7D117 G118 I119D117-A121 VanDerWaalsContact O-CB 3.31Å; D117-A121 WeakPolarHBondContact O-CB 3.33Å; D117-A121 PolarHBondContact O-N 2.66Å; G118-A121 PolarHBondContact O-N 2.9Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.94Å
122E84.9Confident86.1Confident161 Ų16159.5 Ų59.575%0.75238%0.38SS*.Hα-helixtrans-80-30.3174.1-167.8164.281.300111.8G118 I119 I120 T125G118-E122 PolarHBondContact O-N 3.31Å; G118-E122 VanDerWaalsContact O-N 3.08Å; I119-E122 PolarHBondContact O-N 3.1Å; I120-E122 PolarHBondContact O-N 2.74Å; E122-T125 WeakPolarHBondContact O-CG2 3.4Å
123I83.9Confident85.7Confident15 Ų1559 Ų598%0.07737%0.371CS..Hα-helixtrans-85.9-46.3-179.4-60.6162.1000111.8L100 I119 I120 T125 V131 E135 M139L100-I123 HydrophobicContact CD2-CD1 4.07Å; I119-I123 HydrophobicContact CG2-CD1 3.65Å; I119-I123 WeakPolarHBondContact O-CD1 3.48Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 2.89Å; I119-I123 VanDerWaalsContact O-N 3.17Å; I120-I123 PolarHBondContact O-N 3.4Å; I123-T125 PolarHBondContact O-N 2.84Å; I123-V131 HydrophobicContact CG2-CB 4.48Å; I123-V131 HydrophobicContact CG2-CG1 3.73Å; I123-V131 HydrophobicContact CG2-CG2 3.86Å; I123-E135 HydrophobicContact CG2-CB 4.34Å; I123-M139 HydrophobicContact CD1-CB 4.35Å; I123-M139 HydrophobicContact CD1-CE 3.91Å; I123-M139 HydrophobicContact CD1-CG 3.69Å; I123-M139 HydrophobicContact CD1-SD 3.6Å; I123-M139 VanDerWaalsContact CD1-SD 3.6Å; I123-M139 HydrophobicContact CG1-CB 4.16Å; I123-M139 HydrophobicContact CG1-CG 3.95Å; I123-M139 HydrophobicContact CG1-SD 4.42Å; I123-M139 HydrophobicContact CG2-CB 4.43Å
124D86.7Confident85.5Confident26 Ų2659.6 Ų59.614%0.13937%0.368CS..  trans-79.270.6178.7-179.214000109.8T97 I120 D126 G127 S128 G129T97-D124 HydrophobicContact CG2-CB 4.35Å; I120-D124 WeakPolarHBondContact O-CB 3.3Å; I120-D124 PolarHBondContact O-N 3.41Å; D124-D126 VanDerWaalsContact C-N 3.32Å; D124-G127 PolarHBondContact O-N 3.19Å; D124-G127 VanDerWaalsContact OD1-C 3.31Å; D124-G127 WeakPolarHBondContact OD1-CA 3.33Å; D124-G127 PolarHBondContact OD1-N 3.39Å; D124-S128 PolarHBondContact OD1-N 3.03Å; D124-G129 PolarHBondContact OD1-N 3.13Å; D124-G129 VanDerWaalsContact OD2-CA 3.25Å; D124-G129 WeakPolarHBondContact OD2-CA 3.35Å; D124-G129 PolarHBondContact OD2-N 2.92Å
125T80.4Confident85.4Confident107 Ų10755.9 Ų55.966%0.65634%0.34SS*.SBendtrans-73-28.3-174.363.30000112.2E122 I123 E135E122-T125 WeakPolarHBondContact O-CG2 3.4Å; I123-T125 PolarHBondContact O-N 2.84Å; T125-E135 PolarHBondContact N-OE1 2.81Å
126D83.1Confident85Confident105 Ų10552.3 Ų52.356%0.56132%0.321SS*.SBendtrans-83-17.2177.6103-71.4000112.4D124 S128D124-D126 VanDerWaalsContact C-N 3.32Å; D126-S128 VanDerWaalsContact C-N 3.3Å; D126-S128 WeakPolarHBondContact OD1-CB 3.26Å; D126-S128 PolarHBondContact OD1-N 3.41Å; D126-S128 PolarHBondContact OD1-OG 2.86Å; D126-S128 WeakPolarHBondContact OD2-CB 3.41Å
127G84.7Confident84.5Confident56 Ų5654 Ų5458%0.57733%0.329SS*.  trans72.125.4179.800000112.6D124 G129D124-G127 PolarHBondContact O-N 3.19Å; D124-G127 VanDerWaalsContact OD1-C 3.31Å; D124-G127 WeakPolarHBondContact OD1-CA 3.33Å; D124-G127 PolarHBondContact OD1-N 3.39Å; G127-G129 PolarHBondContact O-N 2.81Å
128S86Confident84Confident54 Ų5455.5 Ų55.538%0.37833%0.333SS..  trans-67.1-17.3177.161.40000112.4D124 D126 T130D124-S128 PolarHBondContact OD1-N 3.03Å; D126-S128 VanDerWaalsContact C-N 3.3Å; D126-S128 WeakPolarHBondContact OD1-CB 3.26Å; D126-S128 PolarHBondContact OD1-N 3.41Å; D126-S128 PolarHBondContact OD1-OG 2.86Å; D126-S128 WeakPolarHBondContact OD2-CB 3.41Å; S128-T130 WeakPolarHBondContact CB-OG1 3.39Å; S128-T130 PolarHBondContact O-N 3.19Å; S128-T130 PolarHBondContact OG-N 3.28Å; S128-T130 PolarHBondContact OG-O 3.27Å; S128-T130 PolarHBondContact OG-OG1 2.84Å
129G86.4Confident83.5Confident28 Ų2856.6 Ų56.629%0.28933%0.327SS..SBendtrans7410.1-171.800000112.5T97 D124 G127T97-G129 VanDerWaalsContact CG2-C 3.47Å; T97-G129 WeakPolarHBondContact CG2-O 3.13Å; T97-G129 PolarHBondContact N-O 3.28Å; T97-G129 PolarHBondContact OG1-O 3.48Å; D124-G129 PolarHBondContact OD1-N 3.13Å; D124-G129 VanDerWaalsContact OD2-CA 3.25Å; D124-G129 WeakPolarHBondContact OD2-CA 3.35Å; D124-G129 PolarHBondContact OD2-N 2.92Å; G127-G129 PolarHBondContact O-N 2.81Å
130T88.2Confident82.8Confident36 Ų3659.4 Ų59.422%0.22134%0.341CS..EExtended strand (participates in β ladder)trans-133.3155.7176.150.50000108.8Y94 I95 T96 S128Y94-T130 HydrophobicContact CD2-CG2 3.58Å; Y94-T130 HydrophobicContact CE2-CG2 4.03Å; Y94-T130 HydrophobicContact CG-CG2 4.26Å; I95-T130 CarbonylContact O-C 3.52Å; I95-T130 WeakPolarHBondContact O-CA 3.05Å; T96-T130 HydrophobicContact CG2-CG2 4.49Å; S128-T130 WeakPolarHBondContact CB-OG1 3.39Å; S128-T130 PolarHBondContact O-N 3.19Å; S128-T130 PolarHBondContact OG-N 3.28Å; S128-T130 PolarHBondContact OG-O 3.27Å; S128-T130 PolarHBondContact OG-OG1 2.84Å
131V87.5Confident81.9Confident0 Ų062.5 Ų62.50%037%0.368CS..EExtended strand (participates in β ladder)trans-113.4113.8174.9178.10000107I95 L100 I123 E135 F136I95-V131 PolarHBondContact N-O 3.06Å; I95-V131 PolarHBondContact O-N 3.33Å; L100-V131 HydrophobicContact CD2-CB 4.33Å; L100-V131 HydrophobicContact CD2-CG1 4.48Å; L100-V131 HydrophobicContact CD2-CG2 3.67Å; I123-V131 HydrophobicContact CG2-CB 4.48Å; I123-V131 HydrophobicContact CG2-CG1 3.73Å; I123-V131 HydrophobicContact CG2-CG2 3.86Å; V131-E135 VanDerWaalsContact CA-OE2 3.3Å; V131-E135 WeakPolarHBondContact CA-OE2 3.47Å; V131-E135 HydrophobicContact CG1-CB 3.87Å; V131-F136 HydrophobicContact CG1-CB 4.13Å
132D87.5Confident80.4Confident67 Ų6761.9 Ų61.936%0.35837%0.369SS..  trans-84.3179.1175.278.9-123.3000111.9D134 E135 F136D132-D134 VanDerWaalsContact C-N 3.28Å; D132-D134 PolarHBondContact O-N 3.22Å; D132-D134 VanDerWaalsContact OD2-CB 3.26Å; D132-D134 WeakPolarHBondContact OD2-CB 3.19Å; D132-D134 PolarHBondContact OD2-N 2.97Å; D132-E135 PolarHBondContact N-OE2 3.32Å; D132-F136 WeakPolarHBondContact O-CB 3.25Å; D132-F136 PolarHBondContact O-N 3.41Å
133F81.9Confident78.4Confident41 Ų4167.1 Ų67.118%0.1839%0.394CS..Hα-helixtrans-65.8-32.5-174.7-175.4-109.4000112.7Q77 L80 K81 F84 M137Q77-F133 HydrophobicContact CG-CE1 3.86Å; Q77-F133 HydrophobicContact CG-CZ 3.76Å; L80-F133 HydrophobicContact CB-CE2 4.38Å; K81-F133 HydrophobicContact CB-CE2 3.8Å; K81-F133 HydrophobicContact CB-CZ 4.01Å; K81-F133 HydrophobicContact CG-CE2 4.19Å; K81-F133 HydrophobicContact CG-CZ 4.46Å; F84-F133 HydrophobicContact CB-CD2 4.23Å; F84-F133 HydrophobicContact CB-CE2 4.46Å; F84-F133 HydrophobicContact CD1-CD2 4.47Å; F84-F133 HydrophobicContact CD2-CD2 4.24Å; F84-F133 HydrophobicContact CG-CD2 4.08Å; F133-M137 HydrophobicContact CD1-CE 3.79Å; F133-M137 HydrophobicContact CD1-CG 4.37Å; F133-M137 HydrophobicContact CD1-SD 4.02Å; F133-M137 HydrophobicContact CE1-CE 3.71Å; F133-M137 HydrophobicContact CE1-CG 3.99Å; F133-M137 HydrophobicContact CE1-SD 3.37Å; F133-M137 WeakPolarHBondContact CE1-SD 3.34Å; F133-M137 HydrophobicContact CE2-CG 4.41Å; F133-M137 HydrophobicContact CZ-CG 4.01Å; F133-M137 HydrophobicContact CZ-SD 3.78Å; F133-M137 VanDerWaalsContact O-CG 3.31Å; F133-M137 WeakPolarHBondContact O-CG 3.25Å; F133-M137 PolarHBondContact O-N 3Å
134D81.4Confident78.1Confident98 Ų9869.8 Ų69.852%0.52441%0.41SS..Hα-helixtrans-69.8-48.4180-146.8-120.1000110.5D132 F136 M137 E138D132-D134 VanDerWaalsContact C-N 3.28Å; D132-D134 PolarHBondContact O-N 3.22Å; D132-D134 VanDerWaalsContact OD2-CB 3.26Å; D132-D134 WeakPolarHBondContact OD2-CB 3.19Å; D132-D134 PolarHBondContact OD2-N 2.97Å; D134-F136 VanDerWaalsContact C-N 3.3Å; D134-F136 PolarHBondContact O-N 3.09Å; D134-M137 WeakPolarHBondContact O-CA 3.4Å; D134-M137 WeakPolarHBondContact O-CB 3.41Å; D134-M137 PolarHBondContact O-N 2.96Å; D134-M137 WeakPolarHBondContact OD2-CE 3.49Å; D134-E138 PolarHBondContact O-N 3.12Å
135E84.2Confident77.6Confident11 Ų1172.1 Ų72.15%0.05142%0.424CS..Hα-helixtrans-61.9-37.2175.7-64178.3124.900112.2I123 T125 V131 D132 M137 E138 M139I123-E135 HydrophobicContact CG2-CB 4.34Å; T125-E135 PolarHBondContact N-OE1 2.81Å; V131-E135 VanDerWaalsContact CA-OE2 3.3Å; V131-E135 WeakPolarHBondContact CA-OE2 3.47Å; V131-E135 HydrophobicContact CG1-CB 3.87Å; D132-E135 PolarHBondContact N-OE2 3.32Å; E135-M137 VanDerWaalsContact C-N 3.34Å; E135-E138 PolarHBondContact O-N 2.77Å; E135-M139 PolarHBondContact O-N 3.33Å
136F80.2Confident77.5Confident7 Ų770.1 Ų70.13%0.03141%0.411CS..Hα-helixtrans-66.3-35.4173.3-175.2-98.5000112.5L80 F84 Y87 I95 V131 D132 D134 M140L80-F136 HydrophobicContact CB-CE1 4.43Å; L80-F136 HydrophobicContact CD2-CE1 4.05Å; F84-F136 HydrophobicContact CB-CD1 4.36Å; F84-F136 HydrophobicContact CB-CE1 4.34Å; F84-F136 HydrophobicContact CD2-CB 3.88Å; F84-F136 AromaticContact CD2-CD1 3.93Å; F84-F136 HydrophobicContact CD2-CD1 3.93Å; F84-F136 HydrophobicContact CD2-CD2 4.21Å; F84-F136 AromaticContact CD2-CG 3.74Å; F84-F136 HydrophobicContact CD2-CG 3.74Å; F84-F136 HydrophobicContact CE2-CB 4.04Å; F84-F136 HydrophobicContact CE2-CG 4.34Å; Y87-F136 HydrophobicContact CD2-CE2 4.28Å; Y87-F136 HydrophobicContact CD2-CZ 4.23Å; Y87-F136 HydrophobicContact CE2-CE2 4.46Å; Y87-F136 HydrophobicContact CE2-CZ 4.18Å; I95-F136 HydrophobicContact CD1-CD2 4.25Å; I95-F136 HydrophobicContact CD1-CE2 4.46Å; V131-F136 HydrophobicContact CG1-CB 4.13Å; D132-F136 WeakPolarHBondContact O-CB 3.25Å; D132-F136 PolarHBondContact O-N 3.41Å; D134-F136 VanDerWaalsContact C-N 3.3Å; D134-F136 PolarHBondContact O-N 3.09Å; F136-M140 HydrophobicContact CD1-CG 4.38Å; F136-M140 HydrophobicContact CE1-CG 4.03Å; F136-M140 HydrophobicContact CZ-CG 4.1Å; F136-M140 VanDerWaalsContact O-CG 3.29Å; F136-M140 WeakPolarHBondContact O-CG 3.19Å; F136-M140 PolarHBondContact O-N 3.29Å
137M76.8Confident77.1Confident44 Ų4468.1 Ų68.122%0.21740%0.402CS..Hα-helixtrans-68.6-44.4174.5-76.5-170.1-58.200111.4Q77 L80 F133 D134 E135 M139 M140 A141Q77-M137 HydrophobicContact CG-SD 4.35Å; L80-M137 HydrophobicContact CD1-CG 4.07Å; F133-M137 HydrophobicContact CD1-CE 3.79Å; F133-M137 HydrophobicContact CD1-CG 4.37Å; F133-M137 HydrophobicContact CD1-SD 4.02Å; F133-M137 HydrophobicContact CE1-CE 3.71Å; F133-M137 HydrophobicContact CE1-CG 3.99Å; F133-M137 HydrophobicContact CE1-SD 3.37Å; F133-M137 WeakPolarHBondContact CE1-SD 3.34Å; F133-M137 HydrophobicContact CE2-CG 4.41Å; F133-M137 HydrophobicContact CZ-CG 4.01Å; F133-M137 HydrophobicContact CZ-SD 3.78Å; F133-M137 VanDerWaalsContact O-CG 3.31Å; F133-M137 WeakPolarHBondContact O-CG 3.25Å; F133-M137 PolarHBondContact O-N 3Å; D134-M137 WeakPolarHBondContact O-CA 3.4Å; D134-M137 WeakPolarHBondContact O-CB 3.41Å; D134-M137 PolarHBondContact O-N 2.96Å; D134-M137 WeakPolarHBondContact OD2-CE 3.49Å; E135-M137 VanDerWaalsContact C-N 3.34Å; M137-M139 VanDerWaalsContact C-N 3.32Å; M137-M139 PolarHBondContact O-N 2.76Å; M137-M140 PolarHBondContact O-N 3.23Å; M137-M140 VanDerWaalsContact O-N 3.15Å; M137-A141 WeakPolarHBondContact O-CB 3.46Å; M137-A141 PolarHBondContact O-N 2.82Å
138E77.2Confident76.7Confident128 Ų12868.8 Ų68.860%0.59839%0.391SS*.Hα-helixtrans-58.2-44.7175.8-79.9-167.68400111.5D134 E135 M140 A141 G142D134-E138 PolarHBondContact O-N 3.12Å; E135-E138 PolarHBondContact O-N 2.77Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 2.93Å; E138-A141 PolarHBondContact O-N 3.09Å; E138-G142 PolarHBondContact O-N 3.47Å; E138-G142 VanDerWaalsContact O-N 3.14Å
139M75.6Confident76Confident67 Ų6769.8 Ų69.833%0.3339%0.392SS..Hα-helixtrans-55.3-45.5174.3-178.2-156.2176.600112.4L104 I123 E135 M137L104-M139 HydrophobicContact CD2-CE 4.07Å; I123-M139 HydrophobicContact CD1-CB 4.35Å; I123-M139 HydrophobicContact CD1-CE 3.91Å; I123-M139 HydrophobicContact CD1-CG 3.69Å; I123-M139 HydrophobicContact CD1-SD 3.6Å; I123-M139 VanDerWaalsContact CD1-SD 3.6Å; I123-M139 HydrophobicContact CG1-CB 4.16Å; I123-M139 HydrophobicContact CG1-CG 3.95Å; I123-M139 HydrophobicContact CG1-SD 4.42Å; I123-M139 HydrophobicContact CG2-CB 4.43Å; E135-M139 PolarHBondContact O-N 3.33Å; M137-M139 VanDerWaalsContact C-N 3.32Å; M137-M139 PolarHBondContact O-N 2.76Å
140M69.8Low75.3Confident108 Ų10872.8 Ų72.853%0.53240%0.399SS..Hα-helixtrans-81.6-25.2-174.8-69.4-72-7300112.9L80 F136 M137 E138L80-M140 HydrophobicContact CD1-CB 4.49Å; L80-M140 HydrophobicContact CD2-CB 3.73Å; L80-M140 HydrophobicContact CD2-CE 3.65Å; L80-M140 HydrophobicContact CD2-CG 3.77Å; F136-M140 HydrophobicContact CD1-CG 4.38Å; F136-M140 HydrophobicContact CE1-CG 4.03Å; F136-M140 HydrophobicContact CZ-CG 4.1Å; F136-M140 VanDerWaalsContact O-CG 3.29Å; F136-M140 WeakPolarHBondContact O-CG 3.19Å; F136-M140 PolarHBondContact O-N 3.29Å; M137-M140 PolarHBondContact O-N 3.23Å; M137-M140 VanDerWaalsContact O-N 3.15Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 2.93Å
141A66.8Low74.3Confident80 Ų8075.6 Ų75.666%0.66141%0.413SS*.Hα-helixtrans-76.7-27.717700000112.4M137 E138M137-A141 WeakPolarHBondContact O-CB 3.46Å; M137-A141 PolarHBondContact O-N 2.82Å; E138-A141 PolarHBondContact O-N 3.09Å
142G56.2Low73.2Confident60 Ų6081.9 Ų81.962%0.61945%0.448SS*.  trans55.471.6169.200000114E138E138-G142 PolarHBondContact O-N 3.47Å; E138-G142 VanDerWaalsContact O-N 3.14Å
143E41.3Very low71.9Confident272 Ų27283.3 Ų83.3100%1.27146%0.456SS*.  trans-93.40158.8-71.1-150.191.200111.9

Retrieved 143 of 143 residues in 72.4 ms (Link to these results)

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