Q99NG1_MOUSE Loading...

Amino acid transporter

AlphaFold DB , UniProt , Accession Q99NG1, Species MOUSE (Mus musculus, Mouse), Gene Slc1a3, Length 159 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
1K36.4Very low43.5Very low260 Ų260166.2 Ų166.2100%1.1379%0.788SS**  087.10-75.6-176.4175-175.80106.2
2E37.4Very low45Very low194 Ų194166.9 Ų166.991%0.90779%0.79SS**  trans-83.8135.9-175.9-76.1177.5141.300110.2M4E2-M4 PolarHBondContact O-N 3.35Å
3N39.7Very low46.7Very low153 Ų153159.2 Ų159.282%0.81876%0.76SS**  trans-66.6105.6-175.7-63.8-55.9000111.2Y5N3-Y5 VanDerWaalsContact C-N 3.31Å; N3-Y5 PolarHBondContact O-N 3.11Å
4M43.6Very low49.3Very low174 Ų174153.5 Ų153.586%0.85774%0.741SS**  trans-9066.8159.9-84.6-153.9-75.600110.1E2 R6E2-M4 PolarHBondContact O-N 3.35Å; M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 2.92Å
5Y38.1Very low51.8Low211 Ų211148.9 Ų148.983%0.82774%0.739SS**  trans-79.392.7156.1-102.1-96.8000107.2N3 E7N3-Y5 VanDerWaalsContact C-N 3.31Å; N3-Y5 PolarHBondContact O-N 3.11Å; Y5-E7 PolarHBondContact O-N 3.42Å
6R43.3Very low54.1Low228 Ų228143.2 Ų143.286%0.8672%0.722SS**  trans-66.992.8160.3-84.8179.6158.6166-4.4106.4M4 G8M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 2.92Å; R6-G8 PolarHBondContact O-N 3.07Å
7E39.6Very low55.9Low168 Ų168136.4 Ų136.479%0.78569%0.688SS**  trans-57.596.7161.2-73.3-174.3160.800107.3Y5 K9Y5-E7 PolarHBondContact O-N 3.42Å; E7-K9 PolarHBondContact O-N 3.28Å
8G42.2Very low57.6Low61 Ų61131.8 Ų131.863%0.62967%0.674SS**  trans-64.591.9165.300000106.8R6 I10R6-G8 PolarHBondContact O-N 3.07Å; G8-I10 WeakPolarHBondContact O-CG1 3.46Å; G8-I10 PolarHBondContact O-N 3.38Å
9K45.8Very low59.4Low173 Ų173131.4 Ų131.475%0.75267%0.668SS**  trans-53.5108.1163.9-83.1-176.6177.91750106.2E7 V11E7-K9 PolarHBondContact O-N 3.28Å; K9-V11 HydrophobicContact CB-CG2 4.32Å; K9-V11 PolarHBondContact O-N 3.48Å
10I53Low60.9Low158 Ų158128.8 Ų128.881%0.8166%0.655SS**  trans-7379.3175.4-41.4173.5000105.2G8 Q12G8-I10 WeakPolarHBondContact O-CG1 3.46Å; G8-I10 PolarHBondContact O-N 3.38Å; I10-Q12 PolarHBondContact O-N 2.9Å; I10-Q12 VanDerWaalsContact O-N 3.16Å
11V59.1Low62.4Low48 Ų48123.4 Ų123.429%0.29163%0.628SS.*  trans-68.7113.3170.6-179.40000105.2K9 V13 Y43 M80K9-V11 HydrophobicContact CB-CG2 4.32Å; K9-V11 PolarHBondContact O-N 3.48Å; V11-V13 PolarHBondContact O-N 2.8Å; V11-Y43 HydrophobicContact CB-CD2 4.42Å; V11-Y43 HydrophobicContact CG1-CD2 3.24Å; V11-Y43 HydrophobicContact CG1-CE2 3.8Å; V11-Y43 HydrophobicContact CG1-CG 3.68Å; V11-M80 HydrophobicContact CB-CE 4.42Å; V11-M80 HydrophobicContact CG1-CE 3.59Å; V11-M80 HydrophobicContact CG1-SD 4.12Å; V11-M80 HydrophobicContact CG2-CE 4.05Å
12Q61.4Low65Low175 Ų175114.8 Ų114.882%0.81859%0.594SS**  trans-64.2105.2174.2-69.9-147.511.800107.8I10I10-Q12 PolarHBondContact O-N 2.9Å; I10-Q12 VanDerWaalsContact O-N 3.16Å
13V67.7Low67.7Low66 Ų66108.9 Ų108.940%0.457%0.568SS.*  trans-79.5129.5173.1-172.70000106.9V11 D17 Y43V11-V13 PolarHBondContact O-N 2.8Å; V13-D17 HydrophobicContact CG1-CB 3.87Å; V13-Y43 HydrophobicContact CB-CE2 4.44Å; V13-Y43 HydrophobicContact CG1-CE2 4.35Å; V13-Y43 HydrophobicContact CG2-CE2 4.16Å
14T82.5Confident70.1Confident80 Ų80107.2 Ų107.249%0.49155%0.55SS..  trans-64.1140173.8-46.50000109A16 D17 A18 Y43T14-A16 HydrophobicContact CG2-CB 4.08Å; T14-A16 PolarHBondContact O-N 3.38Å; T14-A16 VanDerWaalsContact O-N 3.13Å; T14-D17 VanDerWaalsContact CB-OD2 3.29Å; T14-D17 WeakPolarHBondContact CB-OD2 3.34Å; T14-D17 WeakPolarHBondContact O-CB 3.34Å; T14-D17 PolarHBondContact O-N 2.99Å; T14-D17 PolarHBondContact OG1-OD2 3.23Å; T14-A18 PolarHBondContact O-N 3.34Å; T14-A18 VanDerWaalsContact O-N 3.12Å; T14-Y43 PolarHBondContact N-OH 3.06Å
15A87.5Confident72.5Confident85 Ų8599.8 Ų99.870%0.70251%0.514SS*.Hα-helixtrans-55.3-32.9176.200000112.7A18 F19A15-A18 PolarHBondContact O-N 3.4Å; A15-F19 PolarHBondContact O-N 2.84Å; A15-F19 VanDerWaalsContact O-N 3.08Å
16A87.8Confident75.2Confident57 Ų5792.8 Ų92.847%0.47149%0.489SS..Hα-helixtrans-62.8-42.1172.900000112.6T14 F19 L20T14-A16 HydrophobicContact CG2-CB 4.08Å; T14-A16 PolarHBondContact O-N 3.38Å; T14-A16 VanDerWaalsContact O-N 3.13Å; A16-F19 PolarHBondContact O-N 3.09Å; A16-L20 VanDerWaalsContact O-CG 3.31Å; A16-L20 WeakPolarHBondContact O-CG 3.47Å; A16-L20 PolarHBondContact O-N 3.39Å
17D85.4Confident77.7Confident28 Ų2888.5 Ų88.515%0.1548%0.477CS..Hα-helixtrans-66.3-39.9178.5-65.1-35.8000110.8V13 T14 F19 L20 D21 Y43V13-D17 HydrophobicContact CG1-CB 3.87Å; T14-D17 VanDerWaalsContact CB-OD2 3.29Å; T14-D17 WeakPolarHBondContact CB-OD2 3.34Å; T14-D17 WeakPolarHBondContact O-CB 3.34Å; T14-D17 PolarHBondContact O-N 2.99Å; T14-D17 PolarHBondContact OG1-OD2 3.23Å; D17-F19 VanDerWaalsContact C-N 3.34Å; D17-F19 PolarHBondContact O-N 3.36Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-D21 WeakPolarHBondContact O-CB 3.4Å; D17-D21 VanDerWaalsContact O-CG 3.29Å; D17-D21 PolarHBondContact O-N 3.33Å; D17-Y43 PolarHBondContact OD2-OH 3.26Å
18A87.1Confident80.2Confident53 Ų5381.6 Ų81.644%0.43845%0.447SS..Hα-helixtrans-62.5-39.9174.400000112.5T14 A15 D21 L22T14-A18 PolarHBondContact O-N 3.34Å; T14-A18 VanDerWaalsContact O-N 3.12Å; A15-A18 PolarHBondContact O-N 3.4Å; A18-D21 PolarHBondContact O-N 3.38Å; A18-L22 PolarHBondContact O-N 3.28Å
19F90.9Very high82.5Confident125 Ų12585 Ų8555%0.54846%0.458SS..Hα-helixtrans-67.8-40.1175.4-178.8-101.8000112.5A15 A16 D17 L22 I23A15-F19 PolarHBondContact O-N 2.84Å; A15-F19 VanDerWaalsContact O-N 3.08Å; A16-F19 PolarHBondContact O-N 3.09Å; D17-F19 VanDerWaalsContact C-N 3.34Å; D17-F19 PolarHBondContact O-N 3.36Å; F19-L22 WeakPolarHBondContact O-CB 3.41Å; F19-L22 PolarHBondContact O-N 3.05Å; F19-I23 HydrophobicContact CD1-CD1 3.92Å; F19-I23 HydrophobicContact CE1-CD1 3.33Å; F19-I23 HydrophobicContact CE1-CG1 4.31Å; F19-I23 HydrophobicContact CZ-CD1 3.71Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 PolarHBondContact O-N 3.15Å; F19-I23 VanDerWaalsContact O-N 3.1Å
20L90.6Very high84.7Confident79 Ų7980.4 Ų80.441%0.41444%0.442SS..Hα-helixtrans-66.8-38.3175.1-69175.7000111.7A16 D17 L22 I23 R24A16-L20 VanDerWaalsContact O-CG 3.31Å; A16-L20 WeakPolarHBondContact O-CG 3.47Å; A16-L20 PolarHBondContact O-N 3.39Å; D17-L20 PolarHBondContact O-N 2.9Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.36Å; L20-I23 PolarHBondContact O-N 3.3Å; L20-R24 WeakPolarHBondContact O-CB 3.33Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.15Å; L20-R24 PolarHBondContact O-N 3.48Å
21D90.8Very high86.7Confident16 Ų1675.9 Ų75.99%0.08642%0.418CS..Hα-helixtrans-62-38.7172.8-77.3-0000111.3D17 A18 R24 N25 F39 T41D17-D21 WeakPolarHBondContact O-CB 3.4Å; D17-D21 VanDerWaalsContact O-CG 3.29Å; D17-D21 PolarHBondContact O-N 3.33Å; A18-D21 PolarHBondContact O-N 3.38Å; D21-R24 PolarHBondContact O-N 3.2Å; D21-N25 WeakPolarHBondContact O-CB 3.35Å; D21-N25 PolarHBondContact O-N 3.39Å; D21-N25 PolarHBondContact O-ND2 3.16Å; D21-F39 HydrophobicContact CB-CD1 4.49Å; D21-F39 WeakPolarHBondContact OD1-CD1 3.18Å; D21-F39 WeakPolarHBondContact OD1-CE1 3.45Å; D21-T41 PolarHBondContact OD1-N 2.87Å; D21-T41 PolarHBondContact OD1-OG1 2.98Å; D21-T41 PolarHBondContact OD2-N 3.18Å; D21-T41 PolarHBondContact OD2-OG1 2.97Å
22L91.9Very high88.4Confident79 Ų7978.8 Ų78.841%0.41444%0.436SS..Hα-helixtrans-59.5-51.6173.9-177.572.6000111.3A18 F19 L20 R24 N25 M26 L93A18-L22 PolarHBondContact O-N 3.28Å; F19-L22 WeakPolarHBondContact O-CB 3.41Å; F19-L22 PolarHBondContact O-N 3.05Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.36Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.02Å; L22-N25 CarbonylContact O-C 3.58Å; L22-N25 PolarHBondContact O-N 3.12Å; L22-N25 VanDerWaalsContact O-N 3.14Å; L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 3.4Å; L22-L93 HydrophobicContact CD1-CD1 3.45Å; L22-L93 VanDerWaalsContact CD1-CD1 3.45Å
23I93Very high90Very high70 Ų7074.3 Ų74.336%0.35942%0.415SS..Hα-helixtrans-61.5-43.5179.3-68173000110.9F19 L20 N25 M26 F27F19-I23 HydrophobicContact CD1-CD1 3.92Å; F19-I23 HydrophobicContact CE1-CD1 3.33Å; F19-I23 HydrophobicContact CE1-CG1 4.31Å; F19-I23 HydrophobicContact CZ-CD1 3.71Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 PolarHBondContact O-N 3.15Å; F19-I23 VanDerWaalsContact O-N 3.1Å; L20-I23 PolarHBondContact O-N 3.3Å; I23-N25 PolarHBondContact O-N 3.13Å; I23-M26 WeakPolarHBondContact O-CB 3.45Å; I23-M26 PolarHBondContact O-N 2.86Å; I23-F27 PolarHBondContact O-N 3.36Å
24R90.1Very high91.3Very high118 Ų11871.3 Ų71.345%0.44540%0.397SS..Hα-helixtrans-61.5-35.3176.6-74.6175.6-179168.52.4111.9L20 D21 L22 F27 F39L20-R24 WeakPolarHBondContact O-CB 3.33Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.15Å; L20-R24 PolarHBondContact O-N 3.48Å; D21-R24 PolarHBondContact O-N 3.2Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.02Å; R24-F27 CarbonylContact O-C 3.14Å; R24-F39 HydrophobicContact CB-CD1 4.02Å; R24-F39 HydrophobicContact CB-CG 4.22Å
25N93.9Very high91.9Very high18 Ų1869.9 Ų69.910%0.09639%0.39CS..Hα-helixtrans-73.8-27.2174.1-77.2-53.2000113D21 L22 I23 F27 F39 N91 L93 G94D21-N25 WeakPolarHBondContact O-CB 3.35Å; D21-N25 PolarHBondContact O-N 3.39Å; D21-N25 PolarHBondContact O-ND2 3.16Å; L22-N25 CarbonylContact O-C 3.58Å; L22-N25 PolarHBondContact O-N 3.12Å; L22-N25 VanDerWaalsContact O-N 3.14Å; I23-N25 PolarHBondContact O-N 3.13Å; N25-F27 VanDerWaalsContact C-N 3.29Å; N25-F27 PolarHBondContact O-N 3.41Å; N25-F39 PolarHBondContact ND2-O 2.86Å; N25-F39 WeakPolarHBondContact OD1-CB 3.35Å; N25-F39 PolarHBondContact OD1-N 3.35Å; N25-N91 PolarHBondContact O-ND2 2.89Å; N25-N91 PolarHBondContact O-OD1 3.36Å; N25-N91 PolarHBondContact OD1-ND2 3.17Å; N25-L93 HydrophobicContact CB-CD2 4.42Å; N25-G94 WeakPolarHBondContact O-CA 3.31Å; N25-G94 PolarHBondContact O-N 3.1Å
26M95.9Very high92.3Very high63 Ų6373.2 Ų73.231%0.3139%0.389SS..Hα-helixtrans-63.5-33.5173.1-69-179.469.200113.2L22 I23 P28 L93 V97L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 3.4Å; I23-M26 WeakPolarHBondContact O-CB 3.45Å; I23-M26 PolarHBondContact O-N 2.86Å; M26-P28 WeakPolarHBondContact O-CD 3.44Å; M26-L93 HydrophobicContact CB-CD2 3.85Å; M26-L93 HydrophobicContact CG-CD2 3.26Å; M26-L93 HydrophobicContact CG-CG 4.43Å; M26-V97 HydrophobicContact CB-CG2 4.37Å; M26-V97 HydrophobicContact CE-CG2 4.12Å; M26-V97 HydrophobicContact CG-CG2 4.4Å
27F94.9Very high92.6Very high139 Ų13974.6 Ų74.661%0.6138%0.384SS*.SBendtrans-123.273.7-177.7-58.4-77.9000110I23 R24 N25 V97I23-F27 PolarHBondContact O-N 3.36Å; R24-F27 CarbonylContact O-C 3.14Å; N25-F27 VanDerWaalsContact C-N 3.29Å; N25-F27 PolarHBondContact O-N 3.41Å; F27-V97 HydrophobicContact CE1-CG1 4.28Å
28P91.9Very high92.9Very high23 Ų2376.9 Ų76.915%0.14939%0.394CS..  trans-63.8137.6-177.726.2-33.1000110.3M26 N30 L31 A34M26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-N30 PolarHBondContact O-N 3.41Å; P28-L31 HydrophobicContact CG-CD2 4.17Å; P28-A34 HydrophobicContact CB-CB 3.93Å; P28-A34 HydrophobicContact CG-CB 4.15Å
29P90.5Very high93Very high133 Ų13376.9 Ų76.986%0.86438%0.384SS*.SBendtrans-67.9-19.4179.128.4-35.5000112.6
30N94Very high92.8Very high76 Ų7676.3 Ų76.341%0.40638%0.382SS..  trans-146.2126.1179-174.3-52.7000110.6P28 V32 E33 A34P28-N30 PolarHBondContact O-N 3.41Å; N30-V32 WeakPolarHBondContact OD1-CA 3.34Å; N30-V32 WeakPolarHBondContact OD1-CB 3.49Å; N30-V32 PolarHBondContact OD1-N 3.08Å; N30-E33 HydrophobicContact CB-CB 3.9Å; N30-E33 PolarHBondContact OD1-N 3.27Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.85Å
31L94.1Very high92.6Very high62 Ų6273 Ų7333%0.32536%0.364SS..Hα-helixtrans-74.6-35.4-178.4-64.5172.3000113.2P28 A34 C35 F98P28-L31 HydrophobicContact CG-CD2 4.17Å; L31-A34 WeakPolarHBondContact O-CB 3.34Å; L31-A34 PolarHBondContact O-N 3.33Å; L31-C35 PolarHBondContact O-N 3.34Å; L31-C35 PolarHBondContact O-SG 3.18Å; L31-C35 VanDerWaalsContact O-SG 3.4Å; L31-F98 HydrophobicContact CD1-CD1 3.89Å; L31-F98 HydrophobicContact CD1-CD2 3.85Å; L31-F98 HydrophobicContact CD1-CE1 3.56Å; L31-F98 HydrophobicContact CD1-CE2 3.52Å; L31-F98 HydrophobicContact CD1-CG 4.03Å; L31-F98 HydrophobicContact CD1-CZ 3.36Å; L31-F98 HydrophobicContact CD2-CB 3.89Å; L31-F98 HydrophobicContact CD2-CD1 3.86Å; L31-F98 HydrophobicContact CD2-CD2 3.84Å; L31-F98 HydrophobicContact CD2-CE1 4.4Å; L31-F98 HydrophobicContact CD2-CE2 4.39Å; L31-F98 HydrophobicContact CD2-CG 3.55Å; L31-F98 HydrophobicContact CG-CD2 4.44Å; L31-F98 HydrophobicContact CG-CG 4.45Å
32V95.4Very high92.1Very high109 Ų10975 Ų7566%0.66138%0.38SS*.Hα-helixtrans-68.2-41.3178-178.50000109.9N30 A34 C35N30-V32 WeakPolarHBondContact OD1-CA 3.34Å; N30-V32 WeakPolarHBondContact OD1-CB 3.49Å; N30-V32 PolarHBondContact OD1-N 3.08Å; V32-A34 VanDerWaalsContact C-N 3.35Å; V32-C35 WeakPolarHBondContact O-CB 3.45Å; V32-C35 PolarHBondContact O-N 3.06Å
33E93.8Very high91.5Very high82 Ų8272.9 Ų72.938%0.38337%0.366SS..Hα-helixtrans-66.1-38.3174.8-171.4164.4-148.900111.5N30 C35 F36 K37N30-E33 HydrophobicContact CB-CB 3.9Å; N30-E33 PolarHBondContact OD1-N 3.27Å; E33-C35 PolarHBondContact O-N 3.01Å; E33-C35 VanDerWaalsContact O-N 3.14Å; E33-F36 PolarHBondContact O-N 2.92Å; E33-K37 HydrophobicContact CG-CB 3.93Å; E33-K37 HydrophobicContact CG-CD 3.82Å; E33-K37 HydrophobicContact CG-CG 4.26Å; E33-K37 PolarHBondContact O-N 3.13Å; E33-K37 VanDerWaalsContact OE1-CD 3.29Å; E33-K37 WeakPolarHBondContact OE1-CD 3.13Å; E33-K37 IonicContact OE1-NZ 3.11Å; E33-K37 PolarHBondContact OE1-NZ 3.01Å
34A95.2Very high90.6Very high3 Ų374.5 Ų74.53%0.02537%0.373CS..Hα-helixtrans-58.9-24.817700000113.8P28 N30 L31 V32 F36 K37 N91 L95P28-A34 HydrophobicContact CB-CB 3.93Å; P28-A34 HydrophobicContact CG-CB 4.15Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.85Å; L31-A34 WeakPolarHBondContact O-CB 3.34Å; L31-A34 PolarHBondContact O-N 3.33Å; V32-A34 VanDerWaalsContact C-N 3.35Å; A34-F36 PolarHBondContact O-N 3.49Å; A34-K37 WeakPolarHBondContact CA-O 3.48Å; A34-N91 HydrophobicContact CB-CB 4.15Å; A34-N91 PolarHBondContact O-N 2.93Å; A34-L95 HydrophobicContact CB-CD2 4.14Å; A34-L95 HydrophobicContact CB-CG 4.42Å
35C95.6Very high89.8Confident49 Ų4975.6 Ų75.633%0.33138%0.381SS..THydrogen-bonded Turntrans-67-19.6174.7-65.70000113.6L31 V32 E33 V90L31-C35 PolarHBondContact O-N 3.34Å; L31-C35 PolarHBondContact O-SG 3.18Å; L31-C35 VanDerWaalsContact O-SG 3.4Å; V32-C35 WeakPolarHBondContact O-CB 3.45Å; V32-C35 PolarHBondContact O-N 3.06Å; E33-C35 PolarHBondContact O-N 3.01Å; E33-C35 VanDerWaalsContact O-N 3.14Å; C35-V90 WeakPolarHBondContact O-CG2 3.41Å
36F95.6Very high88.5Confident156 Ų15681 Ų8168%0.68440%0.4SS*.THydrogen-bonded Turntrans-133.1-11.1-175.1-55.9-76000114.2E33 A34 G89E33-F36 PolarHBondContact O-N 2.92Å; A34-F36 PolarHBondContact O-N 3.49Å; F36-G89 CarbonylContact C-O 3.12Å; F36-G89 PolarHBondContact O-N 3.31Å
37K93.6Very high86.8Confident85 Ų8582.1 Ų82.137%0.3741%0.413SS..EExtended strand (participates in β ladder)trans-137.4147.3-177.5-68.8-171-159.4165.80112.3E33 A34 S86 V87 G89E33-K37 HydrophobicContact CG-CB 3.93Å; E33-K37 HydrophobicContact CG-CD 3.82Å; E33-K37 HydrophobicContact CG-CG 4.26Å; E33-K37 PolarHBondContact O-N 3.13Å; E33-K37 VanDerWaalsContact OE1-CD 3.29Å; E33-K37 WeakPolarHBondContact OE1-CD 3.13Å; E33-K37 IonicContact OE1-NZ 3.11Å; E33-K37 PolarHBondContact OE1-NZ 3.01Å; A34-K37 WeakPolarHBondContact CA-O 3.48Å; K37-S86 WeakPolarHBondContact CB-OG 3.37Å; K37-S86 WeakPolarHBondContact CD-OG 3.42Å; K37-V87 WeakPolarHBondContact CA-O 3.42Å; K37-G89 CarbonylContact C-O 2.98Å; K37-G89 WeakPolarHBondContact CA-O 3.31Å; K37-G89 PolarHBondContact N-O 2.94Å
38Q91.8Very high85.3Confident76 Ų7679.9 Ų79.936%0.35540%0.404SS..EExtended strand (participates in β ladder)trans-125151.3172.263.2-177.8-18.500111S86 V87 G89 N91Q38-S86 VanDerWaalsContact O-CA 3.29Å; Q38-S86 WeakPolarHBondContact O-CA 3.26Å; Q38-S86 PolarHBondContact O-OG 3.26Å; Q38-V87 HydrophobicContact CG-CG2 3.26Å; Q38-V87 PolarHBondContact N-O 3.18Å; Q38-V87 VanDerWaalsContact NE2-CG2 3.31Å; Q38-V87 PolarHBondContact O-N 3.37Å; Q38-G89 PolarHBondContact N-O 3.36Å; Q38-N91 HydrophobicContact CB-CB 3.98Å
39F88.9Confident83.7Confident54 Ų5486.3 Ų86.324%0.23743%0.429CS..EExtended strand (participates in β ladder)trans-77.3133.3178.2-170.7-86000110.1D21 R24 N25 P84D21-F39 HydrophobicContact CB-CD1 4.49Å; D21-F39 WeakPolarHBondContact OD1-CD1 3.18Å; D21-F39 WeakPolarHBondContact OD1-CE1 3.45Å; R24-F39 HydrophobicContact CB-CD1 4.02Å; R24-F39 HydrophobicContact CB-CG 4.22Å; N25-F39 PolarHBondContact ND2-O 2.86Å; N25-F39 WeakPolarHBondContact OD1-CB 3.35Å; N25-F39 PolarHBondContact OD1-N 3.35Å; F39-P84 HydrophobicContact CE2-CB 3.66Å; F39-P84 HydrophobicContact CZ-CB 3.66Å
40K87.1Confident82.3Confident113 Ų11383.2 Ų83.249%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-147.8125.8173.6-174.6175.7-177.3174.40109.2S42 G85 V87K40-S42 PolarHBondContact O-N 3.15Å; K40-G85 PolarHBondContact N-O 2.94Å; K40-G85 CarbonylContact O-C 3.47Å; K40-G85 WeakPolarHBondContact O-CA 3.42Å; K40-G85 PolarHBondContact O-N 3.02Å; K40-G85 VanDerWaalsContact O-N 3.12Å; K40-V87 HydrophobicContact CB-CG1 4.08Å; K40-V87 HydrophobicContact CB-CG2 4.3Å; K40-V87 HydrophobicContact CD-CG1 3.89Å
41T86Confident80.5Confident8 Ų884.6 Ų84.65%0.04942%0.421CS..EExtended strand (participates in β ladder)trans-63.7123.3173.4-66.60000109.3D21 Y43 P82D21-T41 PolarHBondContact OD1-N 2.87Å; D21-T41 PolarHBondContact OD1-OG1 2.98Å; D21-T41 PolarHBondContact OD2-N 3.18Å; D21-T41 PolarHBondContact OD2-OG1 2.97Å; T41-Y43 HydrophobicContact CG2-CE2 4.38Å; T41-P82 HydrophobicContact CG2-CB 3.45Å; T41-P82 VanDerWaalsContact CG2-CB 3.45Å
42S81.3Confident78.9Confident59 Ų5985.2 Ų85.241%0.41342%0.424SS..EExtended strand (participates in β ladder)trans-102.4153.7171.6-173.40000108.5K40 V83K40-S42 PolarHBondContact O-N 3.15Å; S42-V83 PolarHBondContact N-O 2.92Å; S42-V83 VanDerWaalsContact O-CG2 3.27Å; S42-V83 WeakPolarHBondContact O-CG2 3.42Å; S42-V83 PolarHBondContact O-N 3.43Å; S42-V83 VanDerWaalsContact O-O 3.13Å
43Y78.8Confident76.9Confident34 Ų3488.4 Ų88.413%0.13343%0.432CS..EExtended strand (participates in β ladder)trans-113.8117.7177.2-68-95.8000109.1V11 V13 T14 D17 T41 M80 P82V11-Y43 HydrophobicContact CB-CD2 4.42Å; V11-Y43 HydrophobicContact CG1-CD2 3.24Å; V11-Y43 HydrophobicContact CG1-CE2 3.8Å; V11-Y43 HydrophobicContact CG1-CG 3.68Å; V13-Y43 HydrophobicContact CB-CE2 4.44Å; V13-Y43 HydrophobicContact CG1-CE2 4.35Å; V13-Y43 HydrophobicContact CG2-CE2 4.16Å; T14-Y43 PolarHBondContact N-OH 3.06Å; D17-Y43 PolarHBondContact OD2-OH 3.26Å; T41-Y43 HydrophobicContact CG2-CE2 4.38Å; Y43-M80 HydrophobicContact CD1-CG 3.81Å; Y43-M80 HydrophobicContact CD1-SD 4.07Å; Y43-M80 HydrophobicContact CG-CE 4.34Å; Y43-M80 HydrophobicContact CG-CG 4.08Å; Y43-M80 HydrophobicContact CG-SD 4.12Å; Y43-P82 HydrophobicContact CD1-CB 4.25Å; Y43-P82 HydrophobicContact CE1-CB 3.97Å
44E74.3Confident75Confident104 Ų10487.7 Ų87.749%0.48644%0.44SS..EExtended strand (participates in β ladder)trans-105.6142.1175.9-74.5-178.6-179.700109.8R46 V81 V83E44-R46 PolarHBondContact O-N 3.23Å; E44-V81 PolarHBondContact N-O 3.09Å; E44-V81 PolarHBondContact O-N 3.49Å; E44-V81 VanDerWaalsContact O-N 3.12Å; E44-V83 HydrophobicContact CB-CG1 4.36Å; E44-V83 HydrophobicContact CB-CG2 4.17Å; E44-V83 HydrophobicContact CG-CG2 3.71Å
45K73.3Confident73.3Confident142 Ų14293 Ų9362%0.61747%0.467SS*.EExtended strand (participates in β ladder)trans-76.2108.3170.2-69.1-174.5167.3-153.70107.9E78K45-E78 IonicContact NZ-OE2 2.8Å; K45-E78 PolarHBondContact NZ-OE2 2.94Å
46R65.9Low71.5Confident132 Ų13299 Ų9950%0.49849%0.491SS..EExtended strand (participates in β ladder)trans-98.6125.9167.9-73.8-163.8-175.5-175.40.6109.3E44 F48 E79 V81E44-R46 PolarHBondContact O-N 3.23Å; R46-F48 HydrophobicContact CB-CD2 4.28Å; R46-F48 HydrophobicContact CB-CE2 3.6Å; R46-F48 HydrophobicContact CB-CZ 3.87Å; R46-E79 PolarHBondContact N-O 3.29Å; R46-E79 VanDerWaalsContact N-O 3.08Å; R46-E79 PolarHBondContact O-N 3.36Å; R46-E79 VanDerWaalsContact O-N 3.15Å; R46-V81 HydrophobicContact CB-CG2 3.98Å; R46-V81 HydrophobicContact CG-CG2 3.68Å
47S60.3Low69.8Low85 Ų8597.9 Ų97.959%0.59450%0.497SS*.EExtended strand (participates in β ladder)trans-85.7108.3172.953.40000109.1
48F63.8Low68Low93 Ų9396.2 Ų96.241%0.40849%0.492SS..EExtended strand (participates in β ladder)trans-97.7132.5170.7-61.9-81.5000109.4R46 V50 R77 E79 V81R46-F48 HydrophobicContact CB-CD2 4.28Å; R46-F48 HydrophobicContact CB-CE2 3.6Å; R46-F48 HydrophobicContact CB-CZ 3.87Å; F48-V50 PolarHBondContact O-N 3.36Å; F48-R77 PolarHBondContact N-O 3.38Å; F48-R77 VanDerWaalsContact N-O 3.16Å; F48-R77 PolarHBondContact O-N 3.09Å; F48-R77 VanDerWaalsContact O-N 3.08Å; F48-E79 HydrophobicContact CD2-CB 4.46Å; F48-V81 HydrophobicContact CE2-CG1 4.31Å
49K58.9Low66.4Low157 Ų15797.5 Ų97.568%0.68350%0.501SS*.EExtended strand (participates in β ladder)trans-80.6105.1170.2-67-174.5179.8-1720107.6T74K49-T74 HydrophobicContact CB-CG2 3.94Å; K49-T74 HydrophobicContact CD-CG2 4.26Å; K49-T74 HydrophobicContact CG-CG2 4.44Å
50V60.7Low64.8Low69 Ų6996.7 Ų96.742%0.41851%0.507SS..EExtended strand (participates in β ladder)trans-94.1126.4176.2-174.20000108.4F48 I52 R75 R77F48-V50 PolarHBondContact O-N 3.36Å; V50-I52 PolarHBondContact O-N 3.24Å; V50-R75 PolarHBondContact N-O 2.95Å; V50-R77 HydrophobicContact CG2-CB 4.2Å
51P56.6Low63.4Low105 Ų10593.6 Ų93.668%0.68250%0.502SS*.EExtended strand (participates in β ladder)trans-71125.517228.1-31.1000109.6
52I60.1Low62.1Low74 Ų7495.7 Ų95.738%0.37952%0.515SS..PPolyproline II helixtrans-72.8135.4171.9-58.3172.1000108.6V50 A54 L73 R75V50-I52 PolarHBondContact O-N 3.24Å; I52-A54 PolarHBondContact O-N 3.28Å; I52-L73 HydrophobicContact CB-CD2 4.48Å; I52-L73 PolarHBondContact N-O 3.03Å; I52-R75 HydrophobicContact CD1-CB 4.37Å; I52-R75 HydrophobicContact CD1-CG 4.12Å
53Q54.5Low61.1Low177 Ų17799.4 Ų99.483%0.82753%0.529SS*.PPolyproline II helixtrans-63.4124.5169.6-81.5-177.27.800109.7N55Q53-N55 PolarHBondContact O-N 3.13Å
54A52.8Low60.4Low67 Ų67104.5 Ų104.555%0.55456%0.559SS**  trans-69.6113.1-176.600000111.1I52I52-A54 PolarHBondContact O-N 3.28Å
55N59.7Low60.1Low113 Ų113102.9 Ų102.960%0.60455%0.553SS**  trans-82151.7161.2-67.4-6.8000109.1Q53 T57 L58Q53-N55 PolarHBondContact O-N 3.13Å; N55-T57 PolarHBondContact O-N 2.82Å; N55-L58 WeakPolarHBondContact O-CB 3.23Å; N55-L58 PolarHBondContact O-N 3.02Å
56E56.7Low59.7Low177 Ų177100.6 Ų100.683%0.82755%0.551SS**Hα-helixtrans-54.3-26.3-169.7-64.3-156.6162.600115.2L58 L59E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.23Å; E56-L59 PolarHBondContact O-N 3.38Å
57T60.7Low59.8Low131 Ų13199 Ų9980%0.80456%0.56SS**Hα-helixtrans-66.5-22.9174.9-0.50000114.1N55N55-T57 PolarHBondContact O-N 2.82Å
58L56.8Low59.9Low51 Ų51100.5 Ų100.527%0.26756%0.558SS.*Hα-helixtrans-82.8-21.1178.7-73.8162.2000112.9N55 E56 G60 A61 V62 L73N55-L58 WeakPolarHBondContact O-CB 3.23Å; N55-L58 PolarHBondContact O-N 3.02Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.23Å; L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.85Å; L58-A61 PolarHBondContact O-N 2.98Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 2.79Å; L58-L73 HydrophobicContact CD1-CD2 4.13Å; L58-L73 HydrophobicContact CD2-CD2 4.48Å
59L56.7Low59.5Low103 Ų10396.5 Ų96.554%0.53954%0.541SS..Hα-helixtrans-65-37.6175-78168.5000111.4E56 A61 V62 I63E56-L59 PolarHBondContact O-N 3.38Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 3.32Å; L59-V62 PolarHBondContact O-N 3.06Å; L59-I63 WeakPolarHBondContact O-CD1 3.43Å; L59-I63 VanDerWaalsContact O-CG1 3.3Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.14Å
60G56.1Low59.3Low36 Ų3695.1 Ų95.137%0.37154%0.539SS..Hα-helixtrans-62.8-30.3174.900000113.7L58 N64L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.85Å; G60-N64 PolarHBondContact O-ND2 3.4Å
61A57.5Low59.2Low48 Ų4899 Ų9940%0.39755%0.553SS.*Hα-helixtrans-76.7-35.7177.400000112.6L58 L59 I63 N64 N65L58-A61 PolarHBondContact O-N 2.98Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 3.32Å; A61-I63 VanDerWaalsContact C-N 3.31Å; A61-I63 PolarHBondContact O-N 2.9Å; A61-N64 PolarHBondContact O-N 3.35Å; A61-N65 PolarHBondContact O-N 3.38Å
62V59.4Low59.1Low52 Ų5298.3 Ų98.332%0.31555%0.547SS..Hα-helixtrans-64.8-35.6175.51770000111.7L58 L59 N64 V66 A69 L73L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 2.79Å; L59-V62 PolarHBondContact O-N 3.06Å; V62-N64 VanDerWaalsContact C-N 3.33Å; V62-N64 PolarHBondContact O-N 3.35Å; V62-V66 HydrophobicContact CG1-CG2 4.43Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.35Å; V62-A69 HydrophobicContact CB-CB 4.29Å; V62-A69 HydrophobicContact CG2-CB 3.73Å; V62-L73 HydrophobicContact CG2-CD1 4.37Å
63I60.3Low58.9Low137 Ų13796.9 Ų96.970%0.70354%0.54SS*.Hα-helixtrans-68.8-32.2-178.3-65164.1000111.8L59 A61L59-I63 WeakPolarHBondContact O-CD1 3.43Å; L59-I63 VanDerWaalsContact O-CG1 3.3Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.14Å; A61-I63 VanDerWaalsContact C-N 3.31Å; A61-I63 PolarHBondContact O-N 2.9Å
64N64.2Low59.1Low142 Ų14290.8 Ų90.876%0.75952%0.515SS*.Hα-helixtrans-91.2-31-174.7-62.6-23.2000113.1G60 A61 V62G60-N64 PolarHBondContact O-ND2 3.4Å; A61-N64 PolarHBondContact O-N 3.35Å; V62-N64 VanDerWaalsContact C-N 3.33Å; V62-N64 PolarHBondContact O-N 3.35Å
65N66.1Low59.4Low70 Ų7096.7 Ų96.737%0.37452%0.522SS..  trans-158.794177.1-166.1-7.7000111.9A61 S67 E68 A69A61-N65 PolarHBondContact O-N 3.38Å; N65-S67 VanDerWaalsContact C-N 3.28Å; N65-S67 PolarHBondContact O-N 2.68Å; N65-E68 HydrophobicContact CB-CB 4.16Å; N65-E68 PolarHBondContact ND2-OE2 2.95Å; N65-E68 PolarHBondContact O-N 2.81Å; N65-A69 WeakPolarHBondContact O-CB 3.37Å; N65-A69 PolarHBondContact O-N 3.22Å; N65-A69 VanDerWaalsContact O-N 3.08Å
66V66.9Low59.4Low93 Ų9396.9 Ų96.956%0.56452%0.522SS*.Hα-helixtrans-59.8-35.9-177177.50000112.4V62 M70V62-V66 HydrophobicContact CG1-CG2 4.43Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.35Å; V66-M70 PolarHBondContact O-N 2.85Å; V66-M70 VanDerWaalsContact O-N 3.1Å
67S67.2Low59.6Low98 Ų9895.1 Ų95.169%0.68551%0.508SS*.Hα-helixtrans-68.2-40.7-178.3-73.10000112.8N65N65-S67 VanDerWaalsContact C-N 3.28Å; N65-S67 PolarHBondContact O-N 2.68Å
68E62Low59.7Low118 Ų11894.9 Ų94.955%0.55150%0.498SS*.Hα-helixtrans-78.7-31.8-179.2-164.3171.5-172.600111.7N65 E71 T72N65-E68 HydrophobicContact CB-CB 4.16Å; N65-E68 PolarHBondContact ND2-OE2 2.95Å; N65-E68 PolarHBondContact O-N 2.81Å; E68-E71 PolarHBondContact O-N 3.17Å; E68-T72 PolarHBondContact O-N 3.33Å; E68-T72 VanDerWaalsContact O-N 3.07Å; E68-T72 PolarHBondContact O-OG1 3.47Å
69A54.9Low60.1Low8 Ų896.3 Ų96.37%0.06650%0.503CS..Hα-helixtrans-67.3-36.617300000112.4V62 N65 E71 T72 L73V62-A69 HydrophobicContact CB-CB 4.29Å; V62-A69 HydrophobicContact CG2-CB 3.73Å; N65-A69 WeakPolarHBondContact O-CB 3.37Å; N65-A69 PolarHBondContact O-N 3.22Å; N65-A69 VanDerWaalsContact O-N 3.08Å; A69-E71 VanDerWaalsContact C-N 3.31Å; A69-E71 PolarHBondContact O-N 3.39Å; A69-T72 PolarHBondContact O-N 3.18Å; A69-L73 WeakPolarHBondContact O-CB 3.31Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 3.05Å
70M55.3Low60.5Low129 Ų12996.2 Ų96.264%0.63550%0.501SS*.Hα-helixtrans-60.6-40.9175.4-172.387.483.500111.8V66 T74V66-M70 PolarHBondContact O-N 2.85Å; V66-M70 VanDerWaalsContact O-N 3.1Å; M70-T74 PolarHBondContact O-N 2.94Å; M70-T74 PolarHBondContact O-OG1 2.82Å
71E57.8Low61.6Low151 Ų15196 Ų9671%0.70649%0.492SS*.Hα-helixtrans-69.2-41.6177.7-167.3175.7179.800111.4E68 A69 L73 T74E68-E71 PolarHBondContact O-N 3.17Å; A69-E71 VanDerWaalsContact C-N 3.31Å; A69-E71 PolarHBondContact O-N 3.39Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.9Å; E71-T74 PolarHBondContact O-N 3.45Å
72T56.1Low62.7Low90 Ų9097.2 Ų97.255%0.55250%0.496SS*.Hα-helixtrans-67.3-31.6178.3-470000112.7E68 A69E68-T72 PolarHBondContact O-N 3.33Å; E68-T72 VanDerWaalsContact O-N 3.07Å; E68-T72 PolarHBondContact O-OG1 3.47Å; A69-T72 PolarHBondContact O-N 3.18Å
73L55.7Low63.8Low44 Ų4495.5 Ų95.523%0.2349%0.486CS..Hα-helixtrans-80.7-13.7-179.1-73.6171.8000114.3I52 L58 V62 A69 E71I52-L73 HydrophobicContact CB-CD2 4.48Å; I52-L73 PolarHBondContact N-O 3.03Å; L58-L73 HydrophobicContact CD1-CD2 4.13Å; L58-L73 HydrophobicContact CD2-CD2 4.48Å; V62-L73 HydrophobicContact CG2-CD1 4.37Å; A69-L73 WeakPolarHBondContact O-CB 3.31Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 3.05Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.9Å
74T57.8Low64.9Low49 Ų4994 Ų9430%0.30149%0.485SS..EExtended strand (participates in β ladder)trans-10585.717732.80000110.9K49 M70 E71 I76K49-T74 HydrophobicContact CB-CG2 3.94Å; K49-T74 HydrophobicContact CD-CG2 4.26Å; K49-T74 HydrophobicContact CG-CG2 4.44Å; M70-T74 PolarHBondContact O-N 2.94Å; M70-T74 PolarHBondContact O-OG1 2.82Å; E71-T74 PolarHBondContact O-N 3.45Å; T74-I76 PolarHBondContact O-N 3.3Å
75R59.9Low65.8Low191 Ų19188.1 Ų88.172%0.72146%0.458SS*.EExtended strand (participates in β ladder)trans-70.3122.9166.5-95.8-166.9175.8-165.40.6109.6V50 I52 R77V50-R75 PolarHBondContact N-O 2.95Å; I52-R75 HydrophobicContact CD1-CB 4.37Å; I52-R75 HydrophobicContact CD1-CG 4.12Å; R75-R77 PolarHBondContact O-N 3.45Å
76I59.9Low66.8Low116 Ų11687.9 Ų87.960%0.59546%0.462SS*.EExtended strand (participates in β ladder)trans-71107169-62.8172.4000107.1T74T74-I76 PolarHBondContact O-N 3.3Å
77R59.4Low67.9Low140 Ų14085.9 Ų85.953%0.52845%0.45SS..EExtended strand (participates in β ladder)trans-89.4113.6168.7-168.8173.8-176.5-116.8-0.1107.3F48 V50 R75 E79F48-R77 PolarHBondContact N-O 3.38Å; F48-R77 VanDerWaalsContact N-O 3.16Å; F48-R77 PolarHBondContact O-N 3.09Å; F48-R77 VanDerWaalsContact O-N 3.08Å; V50-R77 HydrophobicContact CG2-CB 4.2Å; R75-R77 PolarHBondContact O-N 3.45Å; R77-E79 IonicContact CZ-OE1 3.68Å; R77-E79 IonicContact CZ-OE2 3.98Å; R77-E79 IonicContact NH1-OE1 2.86Å; R77-E79 PolarHBondContact NH1-OE1 2.97Å; R77-E79 IonicContact NH1-OE2 2.88Å; R77-E79 PolarHBondContact NH1-OE2 3.28Å; R77-E79 IonicContact NH2-OE1 3.77Å; R77-E79 PolarHBondContact O-N 3.3Å
78E64.3Low69.1Low127 Ų12788.3 Ų88.359%0.59346%0.455SS*.EExtended strand (participates in β ladder)trans-76.1109.5167.5-65.7-167.8176.900108K45K45-E78 IonicContact NZ-OE2 2.8Å; K45-E78 PolarHBondContact NZ-OE2 2.94Å
79E65.3Low70.6Confident80 Ų8084 Ų8437%0.37444%0.442SS..EExtended strand (participates in β ladder)trans-114.6130.6173.9-167.6156.1-145.100109.3R46 F48 R77 V81R46-E79 PolarHBondContact N-O 3.29Å; R46-E79 VanDerWaalsContact N-O 3.08Å; R46-E79 PolarHBondContact O-N 3.36Å; R46-E79 VanDerWaalsContact O-N 3.15Å; F48-E79 HydrophobicContact CD2-CB 4.46Å; R77-E79 IonicContact CZ-OE1 3.68Å; R77-E79 IonicContact CZ-OE2 3.98Å; R77-E79 IonicContact NH1-OE1 2.86Å; R77-E79 PolarHBondContact NH1-OE1 2.97Å; R77-E79 IonicContact NH1-OE2 2.88Å; R77-E79 PolarHBondContact NH1-OE2 3.28Å; R77-E79 IonicContact NH2-OE1 3.77Å; R77-E79 PolarHBondContact O-N 3.3Å; E79-V81 HydrophobicContact CG-CG1 4.41Å; E79-V81 PolarHBondContact O-N 3.43Å
80M65.6Low72.5Confident101 Ų10187.6 Ų87.650%0.49846%0.463SS..EExtended strand (participates in β ladder)trans-81.7111.5177.1-171.9-179.3-12700107.7V11 Y43V11-M80 HydrophobicContact CB-CE 4.42Å; V11-M80 HydrophobicContact CG1-CE 3.59Å; V11-M80 HydrophobicContact CG1-SD 4.12Å; V11-M80 HydrophobicContact CG2-CE 4.05Å; Y43-M80 HydrophobicContact CD1-CG 3.81Å; Y43-M80 HydrophobicContact CD1-SD 4.07Å; Y43-M80 HydrophobicContact CG-CE 4.34Å; Y43-M80 HydrophobicContact CG-CG 4.08Å; Y43-M80 HydrophobicContact CG-SD 4.12Å
81V78.7Confident74.5Confident32 Ų3281.8 Ų81.819%0.19443%0.434CS..EExtended strand (participates in β ladder)trans-111.7136.4-178.5-67.30000110.5E44 R46 F48 E79 V83E44-V81 PolarHBondContact N-O 3.09Å; E44-V81 PolarHBondContact O-N 3.49Å; E44-V81 VanDerWaalsContact O-N 3.12Å; R46-V81 HydrophobicContact CB-CG2 3.98Å; R46-V81 HydrophobicContact CG-CG2 3.68Å; F48-V81 HydrophobicContact CE2-CG1 4.31Å; E79-V81 HydrophobicContact CG-CG1 4.41Å; E79-V81 PolarHBondContact O-N 3.43Å; V81-V83 HydrophobicContact CG2-CG1 4.4Å; V81-V83 PolarHBondContact O-N 3.34Å
82P79.3Confident76.3Confident74 Ų7477.4 Ų77.448%0.48142%0.424SS..EExtended strand (participates in β ladder)trans-69.6124.5173.728-32.2000109.5T41 Y43T41-P82 HydrophobicContact CG2-CB 3.45Å; T41-P82 VanDerWaalsContact CG2-CB 3.45Å; Y43-P82 HydrophobicContact CD1-CB 4.25Å; Y43-P82 HydrophobicContact CE1-CB 3.97Å
83V83.4Confident78.2Confident16 Ų1676.4 Ų76.410%0.09742%0.415CS..EExtended strand (participates in β ladder)trans-115.7143.3174.5-64.60000110S42 E44 V81 G85S42-V83 PolarHBondContact N-O 2.92Å; S42-V83 VanDerWaalsContact O-CG2 3.27Å; S42-V83 WeakPolarHBondContact O-CG2 3.42Å; S42-V83 PolarHBondContact O-N 3.43Å; S42-V83 VanDerWaalsContact O-O 3.13Å; E44-V83 HydrophobicContact CB-CG1 4.36Å; E44-V83 HydrophobicContact CB-CG2 4.17Å; E44-V83 HydrophobicContact CG-CG2 3.71Å; V81-V83 HydrophobicContact CG2-CG1 4.4Å; V81-V83 PolarHBondContact O-N 3.34Å; V83-G85 PolarHBondContact O-N 2.84Å
84P82.4Confident80.1Confident105 Ų10574.3 Ų74.368%0.68240%0.404SS*.EExtended strand (participates in β ladder)trans-63.4122.3175.426.3-33000109.8F39F39-P84 HydrophobicContact CE2-CB 3.66Å; F39-P84 HydrophobicContact CZ-CB 3.66Å
85G84.6Confident81.9Confident19 Ų1974 Ų7420%0.19640%0.4CS..EExtended strand (participates in β ladder)trans-125.7165.4177.900000111.6K40 V83K40-G85 PolarHBondContact N-O 2.94Å; K40-G85 CarbonylContact O-C 3.47Å; K40-G85 WeakPolarHBondContact O-CA 3.42Å; K40-G85 PolarHBondContact O-N 3.02Å; K40-G85 VanDerWaalsContact O-N 3.12Å; V83-G85 PolarHBondContact O-N 2.84Å
86S86.1Confident83.7Confident65 Ų6569.6 Ų69.646%0.45539%0.394SS..EExtended strand (participates in β ladder)trans-131142.9172.6175.40000109.5K37 Q38K37-S86 WeakPolarHBondContact CB-OG 3.37Å; K37-S86 WeakPolarHBondContact CD-OG 3.42Å; Q38-S86 VanDerWaalsContact O-CA 3.29Å; Q38-S86 WeakPolarHBondContact O-CA 3.26Å; Q38-S86 PolarHBondContact O-OG 3.26Å
87V89.8Confident85.5Confident51 Ų5165.5 Ų65.531%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-118.1147.4172.3-60.30000110.1K37 Q38 K40 G89K37-V87 WeakPolarHBondContact CA-O 3.42Å; Q38-V87 HydrophobicContact CG-CG2 3.26Å; Q38-V87 PolarHBondContact N-O 3.18Å; Q38-V87 VanDerWaalsContact NE2-CG2 3.31Å; Q38-V87 PolarHBondContact O-N 3.37Å; K40-V87 HydrophobicContact CB-CG1 4.08Å; K40-V87 HydrophobicContact CB-CG2 4.3Å; K40-V87 HydrophobicContact CD-CG1 3.89Å; V87-G89 PolarHBondContact O-N 2.87Å
88N93.2Very high87.3Confident149 Ų14962.9 Ų62.980%0.79737%0.368SS*.EExtended strand (participates in β ladder)trans-65.3124.9175.5-64.1-24.6000109.2
89G93.4Very high88.8Confident26 Ų2660.1 Ų60.127%0.26836%0.362SS..SBendtrans153.8150-175.500000111F36 K37 Q38 V87 N91F36-G89 CarbonylContact C-O 3.12Å; F36-G89 PolarHBondContact O-N 3.31Å; K37-G89 CarbonylContact C-O 2.98Å; K37-G89 WeakPolarHBondContact CA-O 3.31Å; K37-G89 PolarHBondContact N-O 2.94Å; Q38-G89 PolarHBondContact N-O 3.36Å; V87-G89 PolarHBondContact O-N 2.87Å; G89-N91 PolarHBondContact O-N 3.23Å
90V95.4Very high90.3Very high84 Ų8463.2 Ų63.251%0.50938%0.378SS..  trans-71.8125.8-179.8-172.40000109.5C35 A92 L95C35-V90 WeakPolarHBondContact O-CG2 3.41Å; V90-A92 PolarHBondContact O-N 3.43Å; V90-L95 HydrophobicContact CG1-CD1 3.76Å
91N96.4Very high91.8Very high7 Ų761.9 Ų61.94%0.03738%0.378CS..  trans-77.873.8166.7-179.27.7000109.9N25 A34 Q38 G89 L93 G94 L95N25-N91 PolarHBondContact O-ND2 2.89Å; N25-N91 PolarHBondContact O-OD1 3.36Å; N25-N91 PolarHBondContact OD1-ND2 3.17Å; A34-N91 HydrophobicContact CB-CB 4.15Å; A34-N91 PolarHBondContact O-N 2.93Å; Q38-N91 HydrophobicContact CB-CB 3.98Å; G89-N91 PolarHBondContact O-N 3.23Å; N91-L93 PolarHBondContact O-N 3.47Å; N91-G94 PolarHBondContact O-N 3.29Å; N91-G94 PolarHBondContact OD1-N 2.93Å; N91-L95 WeakPolarHBondContact O-CG 3.05Å; N91-L95 PolarHBondContact O-N 3.47Å
92A95.7Very high92.6Very high59 Ų5964 Ų6449%0.48839%0.385SS..Hα-helixtrans-59.5-37.1-177.900000112.1V90 L95 V96V90-A92 PolarHBondContact O-N 3.43Å; A92-L95 PolarHBondContact O-N 2.84Å; A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.29Å
93L95.2Very high93.4Very high69 Ų6962.3 Ų62.336%0.36138%0.381SS..Hα-helixtrans-64.9-45.3-178.1179.1154.3000111.7L22 N25 M26 N91 V96 V97L22-L93 HydrophobicContact CD1-CD1 3.45Å; L22-L93 VanDerWaalsContact CD1-CD1 3.45Å; N25-L93 HydrophobicContact CB-CD2 4.42Å; M26-L93 HydrophobicContact CB-CD2 3.85Å; M26-L93 HydrophobicContact CG-CD2 3.26Å; M26-L93 HydrophobicContact CG-CG 4.43Å; N91-L93 PolarHBondContact O-N 3.47Å; L93-V96 PolarHBondContact O-N 3.32Å; L93-V97 HydrophobicContact CD2-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.32Å
94G96Very high94Very high0 Ų068.5 Ų68.50%041%0.407CS..Hα-helixtrans-64.1-40.5174.600000113.3N25 N91 V96 V97 F98N25-G94 WeakPolarHBondContact O-CA 3.31Å; N25-G94 PolarHBondContact O-N 3.1Å; N91-G94 PolarHBondContact O-N 3.29Å; N91-G94 PolarHBondContact OD1-N 2.93Å; G94-V96 VanDerWaalsContact C-N 3.34Å; G94-V96 PolarHBondContact O-N 3.38Å; G94-V97 PolarHBondContact O-N 3.48Å; G94-F98 WeakPolarHBondContact O-CB 3.44Å; G94-F98 PolarHBondContact O-N 3.39Å
95L96.8Very high94.7Very high43 Ų4367.3 Ų67.323%0.22540%0.398CS..Hα-helixtrans-63.5-39176.5-67.3175.9000112.1A34 V90 N91 A92 S99A34-L95 HydrophobicContact CB-CD2 4.14Å; A34-L95 HydrophobicContact CB-CG 4.42Å; V90-L95 HydrophobicContact CG1-CD1 3.76Å; N91-L95 WeakPolarHBondContact O-CG 3.05Å; N91-L95 PolarHBondContact O-N 3.47Å; A92-L95 PolarHBondContact O-N 2.84Å; L95-S99 VanDerWaalsContact O-CB 3.23Å; L95-S99 WeakPolarHBondContact O-CB 3.29Å; L95-S99 PolarHBondContact O-N 2.92Å; L95-S99 PolarHBondContact O-OG 2.92Å
96V96.7Very high95.3Very high98 Ų9867.1 Ų67.159%0.59439%0.392SS*.Hα-helixtrans-66.6-48.4176.2169.20000111.1A92 L93 G94 F98 S99 M100A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.29Å; L93-V96 PolarHBondContact O-N 3.32Å; G94-V96 VanDerWaalsContact C-N 3.34Å; G94-V96 PolarHBondContact O-N 3.38Å; V96-F98 PolarHBondContact O-N 3.19Å; V96-S99 PolarHBondContact O-N 3.01Å; V96-M100 WeakPolarHBondContact O-CB 3.46Å; V96-M100 PolarHBondContact O-N 3.47Å
97V97.1Very high95.6Very high31 Ų3166.7 Ų66.719%0.18840%0.398CS..Hα-helixtrans-60.3-47.1179173.20000110.7M26 F27 L93 G94 M100 C101M26-V97 HydrophobicContact CB-CG2 4.37Å; M26-V97 HydrophobicContact CE-CG2 4.12Å; M26-V97 HydrophobicContact CG-CG2 4.4Å; F27-V97 HydrophobicContact CE1-CG1 4.28Å; L93-V97 HydrophobicContact CD2-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.32Å; G94-V97 PolarHBondContact O-N 3.48Å; V97-M100 PolarHBondContact O-N 3.35Å; V97-C101 PolarHBondContact O-N 2.89Å; V97-C101 VanDerWaalsContact O-N 3.1Å; V97-C101 PolarHBondContact O-SG 3.04Å
98F97.1Very high95.9Very high85 Ų8569 Ų6937%0.37341%0.409SS..Hα-helixtrans-59.4-49175.8173.8-98.4000112L31 G94 V96 M100 C101 F102L31-F98 HydrophobicContact CD1-CD1 3.89Å; L31-F98 HydrophobicContact CD1-CD2 3.85Å; L31-F98 HydrophobicContact CD1-CE1 3.56Å; L31-F98 HydrophobicContact CD1-CE2 3.52Å; L31-F98 HydrophobicContact CD1-CG 4.03Å; L31-F98 HydrophobicContact CD1-CZ 3.36Å; L31-F98 HydrophobicContact CD2-CB 3.89Å; L31-F98 HydrophobicContact CD2-CD1 3.86Å; L31-F98 HydrophobicContact CD2-CD2 3.84Å; L31-F98 HydrophobicContact CD2-CE1 4.4Å; L31-F98 HydrophobicContact CD2-CE2 4.39Å; L31-F98 HydrophobicContact CD2-CG 3.55Å; L31-F98 HydrophobicContact CG-CD2 4.44Å; L31-F98 HydrophobicContact CG-CG 4.45Å; G94-F98 WeakPolarHBondContact O-CB 3.44Å; G94-F98 PolarHBondContact O-N 3.39Å; V96-F98 PolarHBondContact O-N 3.19Å; F98-M100 VanDerWaalsContact C-N 3.3Å; F98-M100 PolarHBondContact O-N 3.41Å; F98-C101 PolarHBondContact O-N 3.37Å; F98-F102 HydrophobicContact CE1-CB 4.24Å; F98-F102 HydrophobicContact CE1-CG 4.39Å; F98-F102 HydrophobicContact CZ-CB 4.23Å; F98-F102 HydrophobicContact CZ-CD2 4.47Å; F98-F102 HydrophobicContact CZ-CG 4.27Å; F98-F102 VanDerWaalsContact O-CB 3.26Å; F98-F102 WeakPolarHBondContact O-CB 3.47Å; F98-F102 PolarHBondContact O-N 3.17Å
99S96.7Very high95.9Very high68 Ų6865.4 Ų65.448%0.47639%0.388SS..Hα-helixtrans-63.9-35.7-178.3-58.70000112.2L95 V96 G103L95-S99 VanDerWaalsContact O-CB 3.23Å; L95-S99 WeakPolarHBondContact O-CB 3.29Å; L95-S99 PolarHBondContact O-N 2.92Å; L95-S99 PolarHBondContact O-OG 2.92Å; V96-S99 PolarHBondContact O-N 3.01Å; S99-G103 PolarHBondContact O-N 2.93Å
100M96.6Very high95.8Very high145 Ų14572.6 Ų72.671%0.71441%0.412SS*.Hα-helixtrans-65.3-47.8175.7-172.9178.9-175.900111.4V96 V97 F98 F104V96-M100 WeakPolarHBondContact O-CB 3.46Å; V96-M100 PolarHBondContact O-N 3.47Å; V97-M100 PolarHBondContact O-N 3.35Å; F98-M100 VanDerWaalsContact C-N 3.3Å; F98-M100 PolarHBondContact O-N 3.41Å; M100-F104 VanDerWaalsContact O-CB 3.27Å; M100-F104 WeakPolarHBondContact O-CB 3.4Å; M100-F104 PolarHBondContact O-N 3.49Å
101C96.7Very high95.7Very high74 Ų7476 Ų7650%0.542%0.422SS..Hα-helixtrans-63.7-43.8176-68.70000111.8V97 F98 F104 V105V97-C101 PolarHBondContact O-N 2.89Å; V97-C101 VanDerWaalsContact O-N 3.1Å; V97-C101 PolarHBondContact O-SG 3.04Å; F98-C101 PolarHBondContact O-N 3.37Å; C101-F104 WeakPolarHBondContact O-CB 3.37Å; C101-F104 PolarHBondContact O-N 3.22Å; C101-V105 WeakPolarHBondContact O-CG2 3.39Å; C101-V105 PolarHBondContact O-N 2.87Å
102F96.5Very high95.6Very high75 Ų7583.3 Ų83.333%0.32946%0.456SS..Hα-helixtrans-65.8-45.3-179.9-174.9-120.3000112.1F98 F104 V105 I106 F120F98-F102 HydrophobicContact CE1-CB 4.24Å; F98-F102 HydrophobicContact CE1-CG 4.39Å; F98-F102 HydrophobicContact CZ-CB 4.23Å; F98-F102 HydrophobicContact CZ-CD2 4.47Å; F98-F102 HydrophobicContact CZ-CG 4.27Å; F98-F102 VanDerWaalsContact O-CB 3.26Å; F98-F102 WeakPolarHBondContact O-CB 3.47Å; F98-F102 PolarHBondContact O-N 3.17Å; F102-F104 VanDerWaalsContact C-N 3.32Å; F102-F104 PolarHBondContact O-N 2.71Å; F102-V105 PolarHBondContact O-N 3.4Å; F102-I106 HydrophobicContact CD1-CD1 3.76Å; F102-I106 HydrophobicContact CD2-CD1 4.42Å; F102-I106 HydrophobicContact CE1-CD1 3.41Å; F102-I106 VanDerWaalsContact CE1-CD1 3.41Å; F102-I106 HydrophobicContact CE1-CG1 4.5Å; F102-I106 HydrophobicContact CE2-CD1 4.1Å; F102-I106 HydrophobicContact CE2-CG1 4.4Å; F102-I106 HydrophobicContact CG-CD1 4.27Å; F102-I106 HydrophobicContact CZ-CD1 3.59Å; F102-I106 HydrophobicContact CZ-CG1 4.32Å; F102-I106 WeakPolarHBondContact O-CG1 3.38Å; F102-I106 PolarHBondContact O-N 3.34Å; F102-F120 HydrophobicContact CD1-CE2 4.38Å; F102-F120 HydrophobicContact CD1-CZ 4.4Å; F102-F120 AromaticContact CE1-CE2 3.59Å; F102-F120 HydrophobicContact CE1-CE2 3.59Å; F102-F120 AromaticContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CZ-CE2 4.44Å
103G96.1Very high95.5Very high40 Ų4080.6 Ų80.641%0.41243%0.434SS..Hα-helixtrans-61.3-39.5173.400000112.3S99 I106 G107S99-G103 PolarHBondContact O-N 2.93Å; G103-I106 PolarHBondContact O-N 2.87Å; G103-G107 PolarHBondContact O-N 2.96Å
104F96.2Very high95.5Very high146 Ų14681.6 Ų81.664%0.6444%0.436SS*.Hα-helixtrans-62.4-43.3173.8179.7-98.8000112.2M100 C101 F102 G107 N108M100-F104 VanDerWaalsContact O-CB 3.27Å; M100-F104 WeakPolarHBondContact O-CB 3.4Å; M100-F104 PolarHBondContact O-N 3.49Å; C101-F104 WeakPolarHBondContact O-CB 3.37Å; C101-F104 PolarHBondContact O-N 3.22Å; F102-F104 VanDerWaalsContact C-N 3.32Å; F102-F104 PolarHBondContact O-N 2.71Å; F104-G107 PolarHBondContact O-N 3.12Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.26Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.34Å; F104-N108 PolarHBondContact O-N 2.96Å; F104-N108 VanDerWaalsContact O-N 3.17Å; F104-N108 PolarHBondContact O-ND2 2.92Å
105V97.1Very high95.6Very high79 Ų7985.1 Ų85.148%0.47947%0.466SS..Hα-helixtrans-63.3-49176.6171.30000110.9C101 F102 G107 N108 M109C101-V105 WeakPolarHBondContact O-CG2 3.39Å; C101-V105 PolarHBondContact O-N 2.87Å; F102-V105 PolarHBondContact O-N 3.4Å; V105-G107 VanDerWaalsContact C-N 3.28Å; V105-G107 PolarHBondContact O-N 3.14Å; V105-N108 PolarHBondContact O-N 2.87Å; V105-M109 HydrophobicContact CG1-CG 4.48Å; V105-M109 HydrophobicContact CG1-SD 4.02Å; V105-M109 WeakPolarHBondContact O-CG 3.23Å; V105-M109 PolarHBondContact O-N 3.02Å
106I96.5Very high95.6Very high15 Ų1586.6 Ų86.68%0.07747%0.474CS..Hα-helixtrans-57.4-43.1176.8-68.4167.6000110.8F102 G103 N108 M109 L116 R117 F120F102-I106 HydrophobicContact CD1-CD1 3.76Å; F102-I106 HydrophobicContact CD2-CD1 4.42Å; F102-I106 HydrophobicContact CE1-CD1 3.41Å; F102-I106 VanDerWaalsContact CE1-CD1 3.41Å; F102-I106 HydrophobicContact CE1-CG1 4.5Å; F102-I106 HydrophobicContact CE2-CD1 4.1Å; F102-I106 HydrophobicContact CE2-CG1 4.4Å; F102-I106 HydrophobicContact CG-CD1 4.27Å; F102-I106 HydrophobicContact CZ-CD1 3.59Å; F102-I106 HydrophobicContact CZ-CG1 4.32Å; F102-I106 WeakPolarHBondContact O-CG1 3.38Å; F102-I106 PolarHBondContact O-N 3.34Å; G103-I106 PolarHBondContact O-N 2.87Å; I106-N108 PolarHBondContact O-N 2.91Å; I106-M109 PolarHBondContact O-N 3.36Å; I106-L116 HydrophobicContact CD1-CB 4.06Å; I106-L116 HydrophobicContact CD1-CD1 4.17Å; I106-L116 HydrophobicContact CG1-CB 4.45Å; I106-L116 HydrophobicContact CG1-CD1 4.2Å; I106-L116 HydrophobicContact CG2-CB 4.35Å; I106-R117 HydrophobicContact CG2-CB 4.34Å; I106-F120 HydrophobicContact CD1-CD2 4.27Å; I106-F120 HydrophobicContact CD1-CE2 3.99Å
107G93.1Very high95.5Very high56 Ų5689.8 Ų89.858%0.57748%0.475SS*.Hα-helixtrans-60-31.917800000113.4G103 F104 V105G103-G107 PolarHBondContact O-N 2.96Å; F104-G107 PolarHBondContact O-N 3.12Å; V105-G107 VanDerWaalsContact C-N 3.28Å; V105-G107 PolarHBondContact O-N 3.14Å
108N94.9Very high95.5Very high101 Ų10193.2 Ų93.254%0.5449%0.489SS..Hα-helixtrans-82.4-17.4176.6-75.5-65.9000113.8F104 V105 I106 K110F104-N108 WeakPolarHBondContact CE1-ND2 3.26Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.34Å; F104-N108 PolarHBondContact O-N 2.96Å; F104-N108 VanDerWaalsContact O-N 3.17Å; F104-N108 PolarHBondContact O-ND2 2.92Å; V105-N108 PolarHBondContact O-N 2.87Å; I106-N108 PolarHBondContact O-N 2.91Å; N108-K110 PolarHBondContact O-N 3.21Å
109M93.5Very high95.5Very high72 Ų7294.7 Ų94.736%0.35550%0.496SS..THydrogen-bonded Turntrans-76.9-1.5-177.5-71.7174.170.100114.6V105 I106 E111 Q112 G113V105-M109 HydrophobicContact CG1-CG 4.48Å; V105-M109 HydrophobicContact CG1-SD 4.02Å; V105-M109 WeakPolarHBondContact O-CG 3.23Å; V105-M109 PolarHBondContact O-N 3.02Å; I106-M109 PolarHBondContact O-N 3.36Å; M109-E111 PolarHBondContact O-N 2.95Å; M109-Q112 HydrophobicContact CB-CB 4.4Å; M109-Q112 HydrophobicContact CE-CB 4.17Å; M109-Q112 PolarHBondContact O-N 3.44Å; M109-G113 PolarHBondContact O-N 3.38Å
110K90.6Very high95.5Very high177 Ų17795.6 Ų95.677%0.7749%0.491SS*.G310 helixtrans47.1-121.7178.4-59.3-178.2-179.4178.90111.6N108 Q112 G113 Q114N108-K110 PolarHBondContact O-N 3.21Å; K110-Q112 VanDerWaalsContact C-N 3.31Å; K110-Q112 PolarHBondContact O-N 3.04Å; K110-G113 PolarHBondContact O-N 3.27Å; K110-G113 VanDerWaalsContact O-N 3.09Å; K110-Q114 PolarHBondContact O-N 3.31Å
111E93.9Very high95.6Very high157 Ų15793.1 Ų93.173%0.73448%0.481SS*.G310 helixtrans-56.5-39.4-179.7-57.7-64.1132.100112.8M109 G113 Q114M109-E111 PolarHBondContact O-N 2.95Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 3.07Å; E111-Q114 WeakPolarHBondContact O-CB 3.27Å; E111-Q114 PolarHBondContact O-N 3.24Å
112Q93.8Very high95.6Very high160 Ų16093.5 Ų93.575%0.74848%0.484SS*.G310 helixtrans-69.7-26-179.6-65.3-177.7-8.900112.4M109 K110M109-Q112 HydrophobicContact CB-CB 4.4Å; M109-Q112 HydrophobicContact CE-CB 4.17Å; M109-Q112 PolarHBondContact O-N 3.44Å; K110-Q112 VanDerWaalsContact C-N 3.31Å; K110-Q112 PolarHBondContact O-N 3.04Å
113G94.4Very high95.7Very high2 Ų293.6 Ų93.62%0.02149%0.488CS..G310 helixtrans-85-10.9178.200000113.9M109 K110 E111 A115 L116 R117M109-G113 PolarHBondContact O-N 3.38Å; K110-G113 PolarHBondContact O-N 3.27Å; K110-G113 VanDerWaalsContact O-N 3.09Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 3.07Å; G113-A115 PolarHBondContact O-N 3.36Å; G113-L116 PolarHBondContact O-N 3.21Å; G113-R117 PolarHBondContact O-N 2.82Å
114Q95.8Very high95.7Very high89 Ų8996 Ų9642%0.41649%0.491SS..Hα-helixtrans-60.7-45.8-170.2-174.3174.5-3.200112.6K110 E111 L116 R117 E118K110-Q114 PolarHBondContact O-N 3.31Å; E111-Q114 WeakPolarHBondContact O-CB 3.27Å; E111-Q114 PolarHBondContact O-N 3.24Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.95Å; Q114-R117 PolarHBondContact O-N 3.22Å; Q114-R117 VanDerWaalsContact O-N 3.15Å; Q114-E118 HydrophobicContact CG-CG 4.34Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.24Å; Q114-E118 PolarHBondContact NE2-OE1 2.77Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 2.98Å
115A96.7Very high95.8Very high75 Ų7593.6 Ų93.662%0.6248%0.482SS*.Hα-helixtrans-60.1-40179.600000112.7G113 F119G113-A115 PolarHBondContact O-N 3.36Å; A115-F119 WeakPolarHBondContact O-CB 3.22Å; A115-F119 PolarHBondContact O-N 3.39Å; A115-F119 VanDerWaalsContact O-N 3.09Å
116L96.9Very high95.9Very high74 Ų7492.5 Ų92.539%0.38748%0.481SS..Hα-helixtrans-70.2-40.1176.2-75.3174.2000111.5I106 G113 Q114 F119 F120I106-L116 HydrophobicContact CD1-CB 4.06Å; I106-L116 HydrophobicContact CD1-CD1 4.17Å; I106-L116 HydrophobicContact CG1-CB 4.45Å; I106-L116 HydrophobicContact CG1-CD1 4.2Å; I106-L116 HydrophobicContact CG2-CB 4.35Å; G113-L116 PolarHBondContact O-N 3.21Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.95Å; L116-F119 WeakPolarHBondContact O-CB 3.33Å; L116-F119 PolarHBondContact O-N 3.25Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 2.64Å
117R95.5Very high96Very high165 Ų16595.7 Ų95.762%0.62350%0.498SS*.Hα-helixtrans-60.8-49.2176.7-175.3177.9177.7178.11111.5I106 G113 Q114 F119 F120 D121I106-R117 HydrophobicContact CG2-CB 4.34Å; G113-R117 PolarHBondContact O-N 2.82Å; Q114-R117 PolarHBondContact O-N 3.22Å; Q114-R117 VanDerWaalsContact O-N 3.15Å; R117-F119 VanDerWaalsContact C-N 3.29Å; R117-F119 PolarHBondContact O-N 3.5Å; R117-F120 PolarHBondContact O-N 2.81Å; R117-D121 WeakPolarHBondContact O-CB 3.37Å; R117-D121 PolarHBondContact O-N 3.48Å
118E96.8Very high96.2Very high102 Ų10298 Ų9848%0.47750%0.495SS..Hα-helixtrans-62.2-37178-71.9176.6-171.700112.3Q114 S122Q114-E118 HydrophobicContact CG-CG 4.34Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.24Å; Q114-E118 PolarHBondContact NE2-OE1 2.77Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 2.98Å; E118-S122 WeakPolarHBondContact O-CB 3.38Å; E118-S122 PolarHBondContact O-N 3.44Å; E118-S122 PolarHBondContact O-OG 3.33Å
119F97.6Very high96.3Very high117 Ų117101.1 Ų101.151%0.51350%0.499SS..Hα-helixtrans-60.7-50.3172169.9-95.9000111.9A115 L116 R117 S122 L123A115-F119 WeakPolarHBondContact O-CB 3.22Å; A115-F119 PolarHBondContact O-N 3.39Å; A115-F119 VanDerWaalsContact O-N 3.09Å; L116-F119 WeakPolarHBondContact O-CB 3.33Å; L116-F119 PolarHBondContact O-N 3.25Å; R117-F119 VanDerWaalsContact C-N 3.29Å; R117-F119 PolarHBondContact O-N 3.5Å; F119-S122 PolarHBondContact O-N 2.9Å; F119-L123 HydrophobicContact CE1-CD2 4.28Å; F119-L123 HydrophobicContact CZ-CD2 4.45Å; F119-L123 WeakPolarHBondContact O-CB 3.43Å; F119-L123 PolarHBondContact O-N 3.1Å
120F97.1Very high96.5Very high86 Ų86103 Ų10338%0.37751%0.51SS..Hα-helixtrans-66.8-36.7179.7-79.4-66.4000112.8F102 I106 L116 R117 L123 N124F102-F120 HydrophobicContact CD1-CE2 4.38Å; F102-F120 HydrophobicContact CD1-CZ 4.4Å; F102-F120 AromaticContact CE1-CE2 3.59Å; F102-F120 HydrophobicContact CE1-CE2 3.59Å; F102-F120 AromaticContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CZ-CE2 4.44Å; I106-F120 HydrophobicContact CD1-CD2 4.27Å; I106-F120 HydrophobicContact CD1-CE2 3.99Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 2.64Å; R117-F120 PolarHBondContact O-N 2.81Å; F120-L123 HydrophobicContact CD1-CD2 4.34Å; F120-L123 PolarHBondContact O-N 3.48Å; F120-N124 WeakPolarHBondContact O-CB 3.29Å; F120-N124 PolarHBondContact O-N 3.27Å
121D97.1Very high96.9Very high93 Ų9397.2 Ų97.250%0.49749%0.489SS..Hα-helixtrans-63.3-45.5175.4-74.2-20000110.7R117 N124 E125R117-D121 WeakPolarHBondContact O-CB 3.37Å; R117-D121 PolarHBondContact O-N 3.48Å; D121-N124 PolarHBondContact O-N 2.84Å; D121-E125 PolarHBondContact O-N 2.87Å
122S98.3Very high97Very high83 Ų8392.1 Ų92.158%0.5847%0.474SS*.Hα-helixtrans-64.4-40.5176.3-58.30000112.2E118 F119 E125 A126E118-S122 WeakPolarHBondContact O-CB 3.38Å; E118-S122 PolarHBondContact O-N 3.44Å; E118-S122 PolarHBondContact O-OG 3.33Å; F119-S122 PolarHBondContact O-N 2.9Å; S122-E125 PolarHBondContact O-N 3.45Å; S122-A126 PolarHBondContact O-N 2.78Å
123L97.9Very high97.2Very high76 Ų7688.5 Ų88.540%0.39846%0.463SS..Hα-helixtrans-63.7-44.1176.1-176.468.3000111.2F119 F120 A126 I127F119-L123 HydrophobicContact CE1-CD2 4.28Å; F119-L123 HydrophobicContact CZ-CD2 4.45Å; F119-L123 WeakPolarHBondContact O-CB 3.43Å; F119-L123 PolarHBondContact O-N 3.1Å; F120-L123 HydrophobicContact CD1-CD2 4.34Å; F120-L123 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 3.08Å; L123-I127 HydrophobicContact CG-CD1 4.01Å; L123-I127 VanDerWaalsContact O-CG1 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.1Å; L123-I127 PolarHBondContact O-N 3.29Å
124N97.1Very high97.3Very high92 Ų9293.3 Ų93.349%0.49249%0.487SS..Hα-helixtrans-62.6-44.2177.7-176.764.6000111.6F120 D121 A126 I127 M128F120-N124 WeakPolarHBondContact O-CB 3.29Å; F120-N124 PolarHBondContact O-N 3.27Å; D121-N124 PolarHBondContact O-N 2.84Å; N124-A126 VanDerWaalsContact C-N 3.33Å; N124-A126 PolarHBondContact O-N 3.28Å; N124-I127 PolarHBondContact O-N 3.16Å; N124-M128 VanDerWaalsContact O-CG 3.31Å; N124-M128 WeakPolarHBondContact O-CG 3.43Å; N124-M128 PolarHBondContact O-N 3.35Å
125E98.1Very high97.3Very high94 Ų9494.8 Ų94.844%0.43950%0.495SS..Hα-helixtrans-58.8-43.3174.6176.159.6-15700111.8D121 S122 I127 M128 R129D121-E125 PolarHBondContact O-N 2.87Å; S122-E125 PolarHBondContact O-N 3.45Å; E125-I127 PolarHBondContact O-N 3.42Å; E125-M128 PolarHBondContact O-N 2.57Å; E125-R129 WeakPolarHBondContact O-CG 2.98Å; E125-R129 PolarHBondContact O-N 3.17Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.48Å; E125-R129 IonicContact OE1-NE 2.92Å; E125-R129 PolarHBondContact OE1-NE 3.48Å; E125-R129 IonicContact OE1-NH2 2.71Å; E125-R129 PolarHBondContact OE1-NH2 2.85Å; E125-R129 VanDerWaalsContact OE1-NH2 3.11Å
126A98.4Very high97.3Very high57 Ų57100.4 Ų100.447%0.47150%0.501SS..Hα-helixtrans-62.6-42.1175.100000112.3S122 L123 N124 R129 L130S122-A126 PolarHBondContact O-N 2.78Å; L123-A126 PolarHBondContact O-N 3.08Å; N124-A126 VanDerWaalsContact C-N 3.33Å; N124-A126 PolarHBondContact O-N 3.28Å; A126-R129 PolarHBondContact O-N 3.12Å; A126-L130 PolarHBondContact O-N 3.45Å
127I97.8Very high97.3Very high82 Ų82103.6 Ų103.642%0.42151%0.508SS..Hα-helixtrans-62.4-44.1175.7-69.6165.6000110.6L123 N124 E125 R129 L130 V131L123-I127 HydrophobicContact CG-CD1 4.01Å; L123-I127 VanDerWaalsContact O-CG1 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.1Å; L123-I127 PolarHBondContact O-N 3.29Å; N124-I127 PolarHBondContact O-N 3.16Å; E125-I127 PolarHBondContact O-N 3.42Å; I127-R129 VanDerWaalsContact C-N 3.28Å; I127-R129 PolarHBondContact O-N 3.15Å; I127-L130 WeakPolarHBondContact O-CA 3.36Å; I127-L130 WeakPolarHBondContact O-CB 3.4Å; I127-L130 PolarHBondContact O-N 3.12Å; I127-L130 VanDerWaalsContact O-N 3.08Å; I127-V131 HydrophobicContact CG2-CG2 4.3Å; I127-V131 WeakPolarHBondContact O-CG2 3.27Å; I127-V131 PolarHBondContact O-N 3.45Å
128M97.9Very high97.3Very high105 Ų10597.5 Ų97.552%0.51749%0.494SS..Hα-helixtrans-60.9-38.1179-70.7-57.5-66.900112.1N124 E125 V131 A132N124-M128 VanDerWaalsContact O-CG 3.31Å; N124-M128 WeakPolarHBondContact O-CG 3.43Å; N124-M128 PolarHBondContact O-N 3.35Å; E125-M128 PolarHBondContact O-N 2.57Å; M128-V131 PolarHBondContact O-N 2.92Å; M128-A132 PolarHBondContact O-N 3.28Å
129R97.9Very high97.3Very high166 Ų16696.9 Ų96.963%0.62650%0.498SS*.Hα-helixtrans-65.5-40.6172.8-67.5180-173.5-1520.8112.4E125 A126 I127 V131 A132 V133E125-R129 WeakPolarHBondContact O-CG 2.98Å; E125-R129 PolarHBondContact O-N 3.17Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.48Å; E125-R129 IonicContact OE1-NE 2.92Å; E125-R129 PolarHBondContact OE1-NE 3.48Å; E125-R129 IonicContact OE1-NH2 2.71Å; E125-R129 PolarHBondContact OE1-NH2 2.85Å; E125-R129 VanDerWaalsContact OE1-NH2 3.11Å; A126-R129 PolarHBondContact O-N 3.12Å; I127-R129 VanDerWaalsContact C-N 3.28Å; I127-R129 PolarHBondContact O-N 3.15Å; R129-V131 VanDerWaalsContact C-N 3.34Å; R129-A132 WeakPolarHBondContact O-CB 3.37Å; R129-A132 PolarHBondContact O-N 3.01Å; R129-V133 PolarHBondContact O-N 2.8Å; R129-V133 VanDerWaalsContact O-N 3.17Å
130L97.7Very high97.3Very high111 Ų11196.4 Ų96.458%0.58150%0.5SS*.Hα-helixtrans-61.1-43.6173.9-173.3107.6000111.2A126 I127 A132 V133 I134A126-L130 PolarHBondContact O-N 3.45Å; I127-L130 WeakPolarHBondContact O-CA 3.36Å; I127-L130 WeakPolarHBondContact O-CB 3.4Å; I127-L130 PolarHBondContact O-N 3.12Å; I127-L130 VanDerWaalsContact O-N 3.08Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.3Å; L130-V133 WeakPolarHBondContact O-CB 3.27Å; L130-V133 PolarHBondContact O-N 3.16Å; L130-V133 VanDerWaalsContact O-N 3.16Å; L130-I134 HydrophobicContact CD2-CD1 3.89Å; L130-I134 HydrophobicContact CG-CD1 4.26Å; L130-I134 WeakPolarHBondContact O-CG1 3.22Å; L130-I134 PolarHBondContact O-N 3.32Å
131V97.4Very high97.3Very high55 Ų5593.9 Ų93.933%0.33350%0.499SS..Hα-helixtrans-60.8-40.6176.4174.20000110.8I127 M128 R129 V133 I134 M135I127-V131 HydrophobicContact CG2-CG2 4.3Å; I127-V131 WeakPolarHBondContact O-CG2 3.27Å; I127-V131 PolarHBondContact O-N 3.45Å; M128-V131 PolarHBondContact O-N 2.92Å; R129-V131 VanDerWaalsContact C-N 3.34Å; V131-V133 VanDerWaalsContact C-N 3.32Å; V131-V133 PolarHBondContact O-N 3.08Å; V131-I134 PolarHBondContact O-N 3.41Å; V131-M135 HydrophobicContact CG1-CE 4.11Å; V131-M135 HydrophobicContact CG1-CG 4.32Å; V131-M135 HydrophobicContact CG1-SD 4.4Å; V131-M135 WeakPolarHBondContact O-CG 3.38Å; V131-M135 PolarHBondContact O-N 2.79Å
132A97.4Very high97.3Very high51 Ų5193.7 Ų93.742%0.42150%0.497SS..Hα-helixtrans-59.7-40.6175.100000112.8M128 R129 L130 M135 W136M128-A132 PolarHBondContact O-N 3.28Å; R129-A132 WeakPolarHBondContact O-CB 3.37Å; R129-A132 PolarHBondContact O-N 3.01Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.3Å; A132-M135 HydrophobicContact CB-CE 4.33Å; A132-M135 PolarHBondContact O-N 3.08Å; A132-W136 PolarHBondContact O-N 2.86Å; A132-W136 VanDerWaalsContact O-N 3.13Å
133V97.3Very high97.2Very high84 Ų8494.8 Ų94.851%0.50950%0.495SS..Hα-helixtrans-62.6-48174.31760000110.6R129 L130 V131 M135 W136 Y137R129-V133 PolarHBondContact O-N 2.8Å; R129-V133 VanDerWaalsContact O-N 3.17Å; L130-V133 WeakPolarHBondContact O-CB 3.27Å; L130-V133 PolarHBondContact O-N 3.16Å; L130-V133 VanDerWaalsContact O-N 3.16Å; V131-V133 VanDerWaalsContact C-N 3.32Å; V131-V133 PolarHBondContact O-N 3.08Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 PolarHBondContact O-N 3.35Å; V133-W136 WeakPolarHBondContact O-CB 3.46Å; V133-W136 PolarHBondContact O-N 3.07Å; V133-W136 VanDerWaalsContact O-N 3.12Å; V133-Y137 HydrophobicContact CG1-CD2 3.99Å; V133-Y137 HydrophobicContact CG1-CE2 3.6Å; V133-Y137 WeakPolarHBondContact O-CD2 3.43Å; V133-Y137 PolarHBondContact O-N 3.32Å
134I96.4Very high97.1Very high102 Ų10297.6 Ų97.652%0.52351%0.505SS..Hα-helixtrans-61-40.7178.7-64.2166.7000111.1L130 V131 W136 Y137 A138L130-I134 HydrophobicContact CD2-CD1 3.89Å; L130-I134 HydrophobicContact CG-CD1 4.26Å; L130-I134 WeakPolarHBondContact O-CG1 3.22Å; L130-I134 PolarHBondContact O-N 3.32Å; V131-I134 PolarHBondContact O-N 3.41Å; I134-W136 VanDerWaalsContact C-N 3.28Å; I134-W136 PolarHBondContact O-N 3.44Å; I134-Y137 PolarHBondContact O-N 3.39Å; I134-Y137 VanDerWaalsContact O-N 3.15Å; I134-A138 PolarHBondContact O-N 2.94Å
135M96.4Very high97.1Very high120 Ų12099.2 Ų99.259%0.59151%0.513SS*.Hα-helixtrans-61.1-35.9176.1-74.7-169.9-65.100112.3V131 A132 V133 Y137 A138 P139V131-M135 HydrophobicContact CG1-CE 4.11Å; V131-M135 HydrophobicContact CG1-CG 4.32Å; V131-M135 HydrophobicContact CG1-SD 4.4Å; V131-M135 WeakPolarHBondContact O-CG 3.38Å; V131-M135 PolarHBondContact O-N 2.79Å; A132-M135 HydrophobicContact CB-CE 4.33Å; A132-M135 PolarHBondContact O-N 3.08Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 PolarHBondContact O-N 3.35Å; M135-Y137 VanDerWaalsContact C-N 3.32Å; M135-Y137 PolarHBondContact O-N 3.41Å; M135-A138 VanDerWaalsContact O-CB 3.3Å; M135-A138 WeakPolarHBondContact O-CB 3.49Å; M135-A138 PolarHBondContact O-N 3.22Å; M135-P139 WeakPolarHBondContact O-CD 3.29Å
136W97.3Very high97Very high194 Ų19499.3 Ų99.374%0.73552%0.515SS*.Hα-helixtrans-66.7-33.2176-171.476.7000112.8A132 V133 I134 P139A132-W136 PolarHBondContact O-N 2.86Å; A132-W136 VanDerWaalsContact O-N 3.13Å; V133-W136 WeakPolarHBondContact O-CB 3.46Å; V133-W136 PolarHBondContact O-N 3.07Å; V133-W136 VanDerWaalsContact O-N 3.12Å; I134-W136 VanDerWaalsContact C-N 3.28Å; I134-W136 PolarHBondContact O-N 3.44Å; W136-P139 WeakPolarHBondContact O-CD 3.29Å
137Y95.5Very high96.8Very high140 Ų14098.7 Ų98.755%0.54951%0.51SS..Hα-helixtrans-80-16.7173.8-70.3-74.2000113.7V133 I134 M135 P139 L140 G141V133-Y137 HydrophobicContact CG1-CD2 3.99Å; V133-Y137 HydrophobicContact CG1-CE2 3.6Å; V133-Y137 WeakPolarHBondContact O-CD2 3.43Å; V133-Y137 PolarHBondContact O-N 3.32Å; I134-Y137 PolarHBondContact O-N 3.39Å; I134-Y137 VanDerWaalsContact O-N 3.15Å; M135-Y137 VanDerWaalsContact C-N 3.32Å; M135-Y137 PolarHBondContact O-N 3.41Å; Y137-P139 VanDerWaalsContact C-CD 3.47Å; Y137-L140 PolarHBondContact O-N 2.96Å; Y137-G141 PolarHBondContact O-N 3.34Å
138A97.1Very high96.7Very high38 Ų3896.6 Ų96.631%0.31451%0.509SS..Hα-helixtrans-58-40.8-174.600000114.9I134 M135 L140 G141 I142I134-A138 PolarHBondContact O-N 2.94Å; M135-A138 VanDerWaalsContact O-CB 3.3Å; M135-A138 WeakPolarHBondContact O-CB 3.49Å; M135-A138 PolarHBondContact O-N 3.22Å; A138-L140 VanDerWaalsContact C-N 3.26Å; A138-L140 PolarHBondContact O-N 2.86Å; A138-G141 PolarHBondContact O-N 3.19Å; A138-G141 VanDerWaalsContact O-N 3.09Å; A138-I142 HydrophobicContact CB-CD1 4.25Å; A138-I142 WeakPolarHBondContact O-CB 3.34Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.46Å; A138-I142 PolarHBondContact O-N 3.47Å
139P96Very high96.4Very high88 Ų8897.6 Ų97.657%0.57151%0.51SS*.Hα-helixtrans-57.1-38.5179.6-25.735000113.2M135 W136 Y137 L143M135-P139 WeakPolarHBondContact O-CD 3.29Å; W136-P139 WeakPolarHBondContact O-CD 3.29Å; Y137-P139 VanDerWaalsContact C-CD 3.47Å; P139-L143 PolarHBondContact O-N 3.1Å; P139-L143 VanDerWaalsContact O-N 3.13Å
140L97.4Very high96.1Very high107 Ų10794.1 Ų94.156%0.5650%0.503SS*.Hα-helixtrans-68.1-44.6176.6-174.463.4000111.1Y137 A138 L143 F144Y137-L140 PolarHBondContact O-N 2.96Å; A138-L140 VanDerWaalsContact C-N 3.26Å; A138-L140 PolarHBondContact O-N 2.86Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-F144 HydrophobicContact CD1-CD2 4.31Å; L140-F144 HydrophobicContact CD1-CE2 3.65Å; L140-F144 HydrophobicContact CG-CD2 4.3Å; L140-F144 HydrophobicContact CG-CE2 3.93Å; L140-F144 WeakPolarHBondContact O-CD2 3.28Å; L140-F144 PolarHBondContact O-N 3.24Å
141G96.4Very high95.8Very high33 Ų3396 Ų9634%0.3451%0.513SS..Hα-helixtrans-62.6-43.5176.700000112.9Y137 A138 L143 F144 L145Y137-G141 PolarHBondContact O-N 3.34Å; A138-G141 PolarHBondContact O-N 3.19Å; A138-G141 VanDerWaalsContact O-N 3.09Å; G141-L143 VanDerWaalsContact C-N 3.33Å; G141-L143 PolarHBondContact O-N 3.45Å; G141-F144 PolarHBondContact O-N 3.37Å; G141-L145 VanDerWaalsContact O-CG 3.31Å; G141-L145 WeakPolarHBondContact O-CG 3.45Å; G141-L145 PolarHBondContact O-N 2.86Å
142I96.8Very high95.5Very high90 Ų9099.6 Ų99.646%0.46253%0.526SS..Hα-helixtrans-62-40.3178.3-67.3163.5000110.8A138 F144 L145 I146A138-I142 HydrophobicContact CB-CD1 4.25Å; A138-I142 WeakPolarHBondContact O-CB 3.34Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.46Å; A138-I142 PolarHBondContact O-N 3.47Å; I142-F144 PolarHBondContact O-N 2.88Å; I142-L145 PolarHBondContact O-N 3.13Å; I142-I146 HydrophobicContact CG2-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.31Å; I142-I146 PolarHBondContact O-N 3.37Å
143L97.1Very high94.9Very high105 Ų105102.2 Ų102.255%0.5553%0.531SS..Hα-helixtrans-57.3-48.6176.3-174.6155.6000111.6P139 L140 G141 A147P139-L143 PolarHBondContact O-N 3.1Å; P139-L143 VanDerWaalsContact O-N 3.13Å; L140-L143 PolarHBondContact O-N 3.43Å; G141-L143 VanDerWaalsContact C-N 3.33Å; G141-L143 PolarHBondContact O-N 3.45Å; L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 3.08Å
144F96.8Very high93.9Very high136 Ų136107.7 Ų107.760%0.59655%0.551SS**Hα-helixtrans-69.1-36.2178.6-72.6-68.4000113L140 G141 I142 G148L140-F144 HydrophobicContact CD1-CD2 4.31Å; L140-F144 HydrophobicContact CD1-CE2 3.65Å; L140-F144 HydrophobicContact CG-CD2 4.3Å; L140-F144 HydrophobicContact CG-CE2 3.93Å; L140-F144 WeakPolarHBondContact O-CD2 3.28Å; L140-F144 PolarHBondContact O-N 3.24Å; G141-F144 PolarHBondContact O-N 3.37Å; I142-F144 PolarHBondContact O-N 2.88Å; F144-G148 PolarHBondContact O-N 3.21Å
145L96.6Very high92.8Very high126 Ų126108.4 Ų108.466%0.6656%0.556SS**Hα-helixtrans-63.9-43.4175.8-73173.7000111.8G141 I142 G148 K149G141-L145 VanDerWaalsContact O-CG 3.31Å; G141-L145 WeakPolarHBondContact O-CG 3.45Å; G141-L145 PolarHBondContact O-N 2.86Å; I142-L145 PolarHBondContact O-N 3.13Å; L145-G148 PolarHBondContact O-N 3.43Å; L145-K149 WeakPolarHBondContact O-CB 3.18Å; L145-K149 WeakPolarHBondContact O-CG 3.5Å; L145-K149 PolarHBondContact O-N 3.46Å
146I95.5Very high91.1Very high96 Ų96108.6 Ų108.649%0.49256%0.557SS.*Hα-helixtrans-65.4-49.1177.2-67.8169.7000110.3I142 G148 K149 I150I142-I146 HydrophobicContact CG2-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.31Å; I142-I146 PolarHBondContact O-N 3.37Å; I146-G148 VanDerWaalsContact C-N 3.3Å; I146-G148 PolarHBondContact O-N 3.28Å; I146-K149 PolarHBondContact O-N 2.91Å; I146-I150 HydrophobicContact CG2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CG1 4.4Å; I146-I150 WeakPolarHBondContact O-CG1 3.43Å; I146-I150 PolarHBondContact O-N 3.25Å
147A95Very high89.5Confident44 Ų44102.5 Ų102.536%0.36455%0.554SS.*Hα-helixtrans-57.5-44.5177.700000111.6L143 I150 L151L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 3.08Å; A147-I150 PolarHBondContact O-N 3.32Å; A147-L151 WeakPolarHBondContact O-CG 3.45Å; A147-L151 PolarHBondContact O-N 3.23Å
148G94.5Very high87.6Confident38 Ų38101.8 Ų101.839%0.39256%0.564SS.*Hα-helixtrans-62.7-41.417600000113.1F144 L145 I146 L151 E152F144-G148 PolarHBondContact O-N 3.21Å; L145-G148 PolarHBondContact O-N 3.43Å; I146-G148 VanDerWaalsContact C-N 3.3Å; I146-G148 PolarHBondContact O-N 3.28Å; G148-L151 PolarHBondContact O-N 3.35Å; G148-E152 WeakPolarHBondContact O-CB 3.3Å; G148-E152 PolarHBondContact O-N 3.49Å
149K92Very high85.2Confident126 Ų126110.8 Ų110.855%0.54861%0.605SS.*Hα-helixtrans-67.5-38.3177.3-77.5-69.9170.4-159.60113L145 I146 L151 E152 M153L145-K149 WeakPolarHBondContact O-CB 3.18Å; L145-K149 WeakPolarHBondContact O-CG 3.5Å; L145-K149 PolarHBondContact O-N 3.46Å; I146-K149 PolarHBondContact O-N 2.91Å; K149-L151 VanDerWaalsContact C-N 3.34Å; K149-E152 IonicContact NZ-OE1 2.79Å; K149-E152 IonicContact NZ-OE2 3.91Å; K149-E152 PolarHBondContact NZ-OE2 2.86Å; K149-E152 PolarHBondContact O-N 3.34Å; K149-M153 VanDerWaalsContact O-CG 3.27Å; K149-M153 WeakPolarHBondContact O-CG 3.41Å; K149-M153 PolarHBondContact O-N 3.35Å
150I90.7Very high84.6Confident93 Ų93112 Ų11248%0.47761%0.606SS.*Hα-helixtrans-64.7-40.8174.3-67.1168.9000110.7I146 A147 E152 M153I146-I150 HydrophobicContact CG2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CG1 4.4Å; I146-I150 WeakPolarHBondContact O-CG1 3.43Å; I146-I150 PolarHBondContact O-N 3.25Å; A147-I150 PolarHBondContact O-N 3.32Å; I150-E152 VanDerWaalsContact C-N 3.31Å; I150-E152 PolarHBondContact O-N 3.34Å; I150-M153 PolarHBondContact O-N 2.96Å
151L91.6Very high83.9Confident151 Ų151112.2 Ų112.279%0.79161%0.609SS**Hα-helixtrans-67.3-29.6176.6-72.2173.2000113.5A147 G148 K149 M153A147-L151 WeakPolarHBondContact O-CG 3.45Å; A147-L151 PolarHBondContact O-N 3.23Å; G148-L151 PolarHBondContact O-N 3.35Å; K149-L151 VanDerWaalsContact C-N 3.34Å; L151-M153 VanDerWaalsContact C-N 3.33Å
152E90.9Very high83.2Confident129 Ų129116.6 Ų116.660%0.60362%0.624SS**Hα-helixtrans-74.7-23.8176.4-170.5-179.6-175.300112.3G148 K149 I150 E154G148-E152 WeakPolarHBondContact O-CB 3.3Å; G148-E152 PolarHBondContact O-N 3.49Å; K149-E152 IonicContact NZ-OE1 2.79Å; K149-E152 IonicContact NZ-OE2 3.91Å; K149-E152 PolarHBondContact NZ-OE2 2.86Å; K149-E152 PolarHBondContact O-N 3.34Å; I150-E152 VanDerWaalsContact C-N 3.31Å; I150-E152 PolarHBondContact O-N 3.34Å; E152-E154 PolarHBondContact O-N 3.23Å
153M86.8Confident82.5Confident106 Ų106118.2 Ų118.252%0.52263%0.633SS.*  trans-78.6107.2179.4-69.6172.67400110.2K149 I150 L151 M156K149-M153 VanDerWaalsContact O-CG 3.27Å; K149-M153 WeakPolarHBondContact O-CG 3.41Å; K149-M153 PolarHBondContact O-N 3.35Å; I150-M153 PolarHBondContact O-N 2.96Å; L151-M153 VanDerWaalsContact C-N 3.33Å; M153-M156 HydrophobicContact CB-SD 4.34Å; M153-M156 HydrophobicContact CE-SD 3.57Å; M153-M156 VanDerWaalsContact CE-SD 3.57Å; M153-M156 HydrophobicContact SD-SD 4.25Å
154E74.8Confident81.5Confident200 Ų200119 Ų11994%0.93564%0.638SS**  trans-77.6-14.7-176.5-68.1-175.615800114.2E152E152-E154 PolarHBondContact O-N 3.23Å
155D72.9Confident80.5Confident117 Ų117117.9 Ų117.963%0.62664%0.641SS**  trans-138.999.8-176.1-145.9-12.3000112.3
156M62.4Low79.4Confident124 Ų124117.3 Ų117.361%0.61164%0.64SS**  trans-108.27.1175.3-65.4-78.1-84.600111.5M153M153-M156 HydrophobicContact CB-SD 4.34Å; M153-M156 HydrophobicContact CE-SD 3.57Å; M153-M156 VanDerWaalsContact CE-SD 3.57Å; M153-M156 HydrophobicContact SD-SD 4.25Å
157G62.8Low78.1Confident65 Ų65118.9 Ų118.967%0.6765%0.651SS**  trans-113.1-0.7-163.200000116.8
158V55.3Low76.7Confident126 Ų126125.2 Ų125.276%0.76468%0.675SS**  trans-100.581.9173.6-171.10000109
159I46.1Very low75.1Confident227 Ų227133.1 Ų133.1100%1.16470%0.701SS**  trans-121.90161.1-49.1173.7000107

Retrieved 159 of 159 residues in 559.2 ms (Link to these results)