A0A060X0I0_ONCMY Loading...

MID1 interacting protein 1

AlphaFold DB , UniProt , Accession A0A060X0I0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110502029, Length 158 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low51.5Low230 Ų230144.8 Ų144.8100%1.13373%0.728SS**  01090-87.5176.8179.100108.1
2M39.9Very low53.3Low203 Ų203143.9 Ų143.9100%173%0.727SS**  trans-98.590.1168.8-76.9-177.3176.300107.3
3Q54.6Low55.8Low170 Ų170136.8 Ų136.879%0.79470%0.698SS**  trans-114.661.2178.2-168.2-177.5-19.800108.9
4I55.3Low58.1Low160 Ų160133.6 Ų133.682%0.82168%0.683SS**SBendtrans-152.991.8178.4-35.8168000107.1
5S50.7Low60Low85 Ų85133.7 Ų133.759%0.59468%0.677SS**SBendtrans169.6-27.2157.9-760000113.3S7 H8 L9S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.49Å; S5-H8 PolarHBondContact O-N 3.18Å; S5-L9 PolarHBondContact O-N 3.4Å
6E48.3Very low61.9Low152 Ų152128.9 Ų128.971%0.7165%0.654SS**Hα-helixtrans-59.1-35.4-171.6-68.1-172.8150.400113.2H8 L9 Q10E6-H8 PolarHBondContact O-N 3.29Å; E6-L9 PolarHBondContact O-N 3.3Å; E6-Q10 WeakPolarHBondContact O-CB 3.36Å; E6-Q10 WeakPolarHBondContact O-CG 3.42Å; E6-Q10 PolarHBondContact O-N 3Å
7S53.9Low63.6Low67 Ų67124.8 Ų124.847%0.46964%0.639SS.*Hα-helixtrans-70.1-28.6-178.362.50000114.4S5 K11S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.49Å; S7-K11 WeakPolarHBondContact O-CG 3.35Å
8H52.2Low65.2Low132 Ų132119.2 Ų119.261%0.61161%0.611SS**Hα-helixtrans-85.8-35.1177.2-78-83.6000111.6S5 E6 Q10 K11S5-H8 PolarHBondContact O-N 3.18Å; E6-H8 PolarHBondContact O-N 3.29Å; H8-Q10 VanDerWaalsContact C-N 3.34Å; H8-K11 PolarHBondContact O-N 3.05Å
9L54.5Low66.5Low137 Ų137116.6 Ų116.672%0.71760%0.598SS**Hα-helixtrans-66.7-38.2175.8-133.975.2000111.7S5 E6 K11 N12 S13S5-L9 PolarHBondContact O-N 3.4Å; E6-L9 PolarHBondContact O-N 3.3Å; L9-K11 PolarHBondContact O-N 3.11Å; L9-N12 PolarHBondContact O-N 3.18Å; L9-S13 PolarHBondContact O-N 3.5Å
10Q58.3Low67.9Low119 Ų119120.6 Ų120.656%0.55661%0.605SS**Hα-helixtrans-62.3-43.3176.7-77168.9-0.900111.7E6 H8 N12 S13 N16E6-Q10 WeakPolarHBondContact O-CB 3.36Å; E6-Q10 WeakPolarHBondContact O-CG 3.42Å; E6-Q10 PolarHBondContact O-N 3Å; H8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-N12 PolarHBondContact O-N 3.4Å; Q10-S13 WeakPolarHBondContact O-CB 3.43Å; Q10-S13 PolarHBondContact O-N 3.32Å; Q10-N16 PolarHBondContact O-ND2 3.44Å
11K61.9Low69.2Low138 Ų138117.3 Ų117.360%0.659%0.587SS**Hα-helixtrans-63-26.1-178.1-72.1175.8-177.4179.90114.4S7 H8 L9S7-K11 WeakPolarHBondContact O-CG 3.35Å; H8-K11 PolarHBondContact O-N 3.05Å; L9-K11 PolarHBondContact O-N 3.11Å
12N73.4Confident71.9Confident134 Ų134107.5 Ų107.572%0.71754%0.539SS*.THydrogen-bonded Turntrans-97.75.6178.3-62.2-20.2000113L9 Q10L9-N12 PolarHBondContact O-N 3.18Å; Q10-N12 PolarHBondContact O-N 3.4Å
13S85.4Confident74.6Confident51 Ų5199.7 Ų99.736%0.35751%0.511SS..SBendtrans-60.4141.4175.3177.20000110.4L9 Q10 F15 N16 S17L9-S13 PolarHBondContact O-N 3.5Å; Q10-S13 WeakPolarHBondContact O-CB 3.43Å; Q10-S13 PolarHBondContact O-N 3.32Å; S13-F15 PolarHBondContact O-N 3.4Å; S13-F15 VanDerWaalsContact O-N 3.14Å; S13-F15 PolarHBondContact OG-N 3.04Å; S13-N16 PolarHBondContact O-N 2.9Å; S13-S17 PolarHBondContact O-N 2.88Å; S13-S17 PolarHBondContact O-OG 3.12Å
14L88Confident76.6Confident93 Ų9394.5 Ų94.549%0.48750%0.497SS..Hα-helixtrans-48.5-41.4172.4177.962.6000111.4N16 S17 M18 L131L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.34Å; L14-S17 PolarHBondContact O-N 3.41Å; L14-M18 HydrophobicContact CD1-CG 4.26Å; L14-M18 HydrophobicContact CD1-SD 4.4Å; L14-M18 HydrophobicContact CG-CG 4.4Å; L14-M18 HydrophobicContact CG-SD 4.06Å; L14-M18 WeakPolarHBondContact O-CB 3.35Å; L14-M18 VanDerWaalsContact O-CG 3.23Å; L14-M18 WeakPolarHBondContact O-CG 3.41Å; L14-M18 PolarHBondContact O-N 3.14Å; L14-L131 HydrophobicContact CD2-CD2 3.6Å
15F86.7Confident78.5Confident135 Ų13587.1 Ų87.159%0.59246%0.459SS*.Hα-helixtrans-58.9-42.1177.5-177.8-104.6000112.6S13 M18 N19S13-F15 PolarHBondContact O-N 3.4Å; S13-F15 VanDerWaalsContact O-N 3.14Å; S13-F15 PolarHBondContact OG-N 3.04Å; F15-M18 PolarHBondContact O-N 3.19Å; F15-N19 VanDerWaalsContact CD1-ND2 3.32Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.46Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.38Å; F15-N19 VanDerWaalsContact CZ-ND2 3.29Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.47Å; F15-N19 VanDerWaalsContact O-CG 3.26Å; F15-N19 PolarHBondContact O-N 2.81Å; F15-N19 PolarHBondContact O-ND2 2.94Å
16N89.7Confident80.6Confident57 Ų5785.7 Ų85.731%0.30545%0.445SS..Hα-helixtrans-73.5-37.5178.8-79.4-16.9000112.2Q10 S13 L14 M18 N19 R20Q10-N16 PolarHBondContact O-ND2 3.44Å; S13-N16 PolarHBondContact O-N 2.9Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.34Å; N16-M18 VanDerWaalsContact C-N 3.34Å; N16-N19 PolarHBondContact O-N 3.03Å; N16-R20 WeakPolarHBondContact O-CG 3.41Å; N16-R20 PolarHBondContact O-N 3.31Å
17S91Very high82.9Confident58 Ų5883.1 Ų83.141%0.40644%0.436SS..Hα-helixtrans-60.7-43.4171.8-61.50000111.6S13 L14 R20 F21S13-S17 PolarHBondContact O-N 2.88Å; S13-S17 PolarHBondContact O-OG 3.12Å; L14-S17 PolarHBondContact O-N 3.41Å; S17-R20 PolarHBondContact O-N 3.49Å; S17-F21 PolarHBondContact O-N 3.02Å
18M91.9Very high84.9Confident25 Ų2581.9 Ų81.912%0.12342%0.423CS..Hα-helixtrans-62.2-45.7175.2-73.4177.614000112.5L14 F15 N16 R20 F21 I22 I79 F124 M128L14-M18 HydrophobicContact CD1-CG 4.26Å; L14-M18 HydrophobicContact CD1-SD 4.4Å; L14-M18 HydrophobicContact CG-CG 4.4Å; L14-M18 HydrophobicContact CG-SD 4.06Å; L14-M18 WeakPolarHBondContact O-CB 3.35Å; L14-M18 VanDerWaalsContact O-CG 3.23Å; L14-M18 WeakPolarHBondContact O-CG 3.41Å; L14-M18 PolarHBondContact O-N 3.14Å; F15-M18 PolarHBondContact O-N 3.19Å; N16-M18 VanDerWaalsContact C-N 3.34Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 2.93Å; M18-F21 WeakPolarHBondContact O-CB 3.16Å; M18-F21 PolarHBondContact O-N 3.5Å; M18-I22 WeakPolarHBondContact O-CG1 3.45Å; M18-I22 PolarHBondContact O-N 3.2Å; M18-I79 HydrophobicContact CB-CG2 4.31Å; M18-I79 HydrophobicContact CE-CD1 4.47Å; M18-I79 HydrophobicContact CE-CG1 4.1Å; M18-I79 HydrophobicContact CE-CG2 4.32Å; M18-I79 HydrophobicContact CG-CD1 4.48Å; M18-I79 HydrophobicContact SD-CG2 4.3Å; M18-F124 HydrophobicContact CE-CE2 4.11Å; M18-F124 HydrophobicContact CE-CZ 3.76Å; M18-M128 HydrophobicContact CE-CE 3.53Å; M18-M128 HydrophobicContact CE-CG 4.37Å; M18-M128 HydrophobicContact CE-SD 3.32Å; M18-M128 WeakPolarHBondContact CE-SD 3.36Å
19N91.6Very high86.9Confident69 Ų6978 Ų7837%0.36941%0.407SS..Hα-helixtrans-64.3-37.1178.2-72.1-35.5000112.5F15 N16 G23F15-N19 VanDerWaalsContact CD1-ND2 3.32Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.46Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.38Å; F15-N19 VanDerWaalsContact CZ-ND2 3.29Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.47Å; F15-N19 VanDerWaalsContact O-CG 3.26Å; F15-N19 PolarHBondContact O-N 2.81Å; F15-N19 PolarHBondContact O-ND2 2.94Å; N16-N19 PolarHBondContact O-N 3.03Å; N19-G23 PolarHBondContact O-N 3.44Å
20R93.3Very high88.8Confident196 Ų19678.1 Ų78.174%0.7440%0.404SS*.Hα-helixtrans-64.3-42.9173.1-73.6177.973.6-145.41111.4N16 S17 M18 G23 A24N16-R20 WeakPolarHBondContact O-CG 3.41Å; N16-R20 PolarHBondContact O-N 3.31Å; S17-R20 PolarHBondContact O-N 3.49Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 2.93Å; R20-G23 PolarHBondContact O-N 3.44Å; R20-A24 PolarHBondContact O-N 3.33Å
21F94.8Very high90.6Very high53 Ų5377 Ų7723%0.23241%0.405CS..Hα-helixtrans-59.9-50.9174.7170.6-100.2000111.6S17 M18 G23 A24 V25 L72 I75 R76 I79S17-F21 PolarHBondContact O-N 3.02Å; M18-F21 WeakPolarHBondContact O-CB 3.16Å; M18-F21 PolarHBondContact O-N 3.5Å; F21-G23 VanDerWaalsContact C-N 3.28Å; F21-G23 PolarHBondContact O-N 3.2Å; F21-A24 PolarHBondContact O-N 2.68Å; F21-A24 VanDerWaalsContact O-N 3.11Å; F21-V25 HydrophobicContact CD1-CG2 4.37Å; F21-V25 HydrophobicContact CD2-CG2 4.04Å; F21-V25 HydrophobicContact CE1-CG2 3.95Å; F21-V25 HydrophobicContact CE2-CG2 3.59Å; F21-V25 HydrophobicContact CG-CG2 4.42Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.2Å; F21-V25 PolarHBondContact O-N 3.44Å; F21-L72 HydrophobicContact CE2-CD2 3.87Å; F21-L72 HydrophobicContact CZ-CD2 4.35Å; F21-I75 HydrophobicContact CE1-CB 4.28Å; F21-I75 HydrophobicContact CE1-CG2 3.74Å; F21-I75 HydrophobicContact CZ-CB 4.01Å; F21-I75 HydrophobicContact CZ-CG2 3.74Å; F21-R76 HydrophobicContact CE1-CB 4.12Å; F21-I79 HydrophobicContact CD1-CD1 3.5Å; F21-I79 HydrophobicContact CE1-CD1 3.7Å
22I94.5Very high92.1Very high24 Ų2472 Ų7212%0.12339%0.386CS..Hα-helixtrans-55.8-45.5176.4-67.9161000110.6M18 A24 V25 N26 R76 I79 E80M18-I22 WeakPolarHBondContact O-CG1 3.45Å; M18-I22 PolarHBondContact O-N 3.2Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A24 PolarHBondContact O-N 3.06Å; I22-V25 PolarHBondContact O-N 2.91Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.42Å; I22-N26 VanDerWaalsContact O-CB 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.43Å; I22-N26 PolarHBondContact O-N 3.25Å; I22-N26 PolarHBondContact O-ND2 3.42Å; I22-R76 HydrophobicContact CG1-CG 4.39Å; I22-I79 HydrophobicContact CD1-CB 4.45Å; I22-I79 HydrophobicContact CD1-CG2 3.66Å; I22-I79 HydrophobicContact CG1-CG2 4.28Å; I22-E80 HydrophobicContact CD1-CG 4.36Å; I22-E80 WeakPolarHBondContact CG2-OE1 3.38Å
23G95.8Very high93Very high39 Ų3972.8 Ų72.840%0.40239%0.387SS..Hα-helixtrans-59.2-43.2177.200000113N19 R20 F21 N26 N27N19-G23 PolarHBondContact O-N 3.44Å; R20-G23 PolarHBondContact O-N 3.44Å; F21-G23 VanDerWaalsContact C-N 3.28Å; F21-G23 PolarHBondContact O-N 3.2Å; G23-N26 PolarHBondContact O-N 3.31Å; G23-N27 WeakPolarHBondContact O-CB 3.02Å; G23-N27 PolarHBondContact O-N 3.38Å
24A97Very high93.5Very high61 Ų6174 Ų7450%0.50439%0.392SS..Hα-helixtrans-66.1-46.5177.200000112.1R20 F21 I22 N26 N27 M28R20-A24 PolarHBondContact O-N 3.33Å; F21-A24 PolarHBondContact O-N 2.68Å; F21-A24 VanDerWaalsContact O-N 3.11Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A24 PolarHBondContact O-N 3.06Å; A24-N26 VanDerWaalsContact C-N 3.31Å; A24-N26 PolarHBondContact O-N 3.22Å; A24-N27 PolarHBondContact O-N 2.9Å; A24-M28 WeakPolarHBondContact O-CB 3.4Å; A24-M28 PolarHBondContact O-N 3.41Å
25V95.6Very high93.6Very high4 Ų471.3 Ų71.32%0.02438%0.381CS..Hα-helixtrans-65.2-35.9177.7179.40000111.1F21 I22 M28 D29 L72 K73 R76F21-V25 HydrophobicContact CD1-CG2 4.37Å; F21-V25 HydrophobicContact CD2-CG2 4.04Å; F21-V25 HydrophobicContact CE1-CG2 3.95Å; F21-V25 HydrophobicContact CE2-CG2 3.59Å; F21-V25 HydrophobicContact CG-CG2 4.42Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.2Å; F21-V25 PolarHBondContact O-N 3.44Å; I22-V25 PolarHBondContact O-N 2.91Å; V25-M28 HydrophobicContact CB-CE 4.46Å; V25-M28 HydrophobicContact CG1-CE 3.71Å; V25-M28 WeakPolarHBondContact O-CB 3.37Å; V25-M28 PolarHBondContact O-N 3.42Å; V25-D29 WeakPolarHBondContact O-CB 3.43Å; V25-D29 PolarHBondContact O-N 3.5Å; V25-L72 HydrophobicContact CG2-CB 4.25Å; V25-K73 HydrophobicContact CG1-CG 4.18Å; V25-R76 HydrophobicContact CB-CB 4.34Å; V25-R76 HydrophobicContact CG1-CB 3.87Å; V25-R76 HydrophobicContact CG1-CG 4.25Å
26N95Very high93.8Very high56 Ų5667.8 Ų67.830%0.29937%0.372SS..Hα-helixtrans-66.5-41.4174.1-74.3-14.9000112.3I22 G23 A24 M28 D29 Q30 R76I22-N26 WeakPolarHBondContact CG2-ND2 3.42Å; I22-N26 VanDerWaalsContact O-CB 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.43Å; I22-N26 PolarHBondContact O-N 3.25Å; I22-N26 PolarHBondContact O-ND2 3.42Å; G23-N26 PolarHBondContact O-N 3.31Å; A24-N26 VanDerWaalsContact C-N 3.31Å; A24-N26 PolarHBondContact O-N 3.22Å; N26-M28 VanDerWaalsContact C-N 3.33Å; N26-D29 PolarHBondContact O-N 2.9Å; N26-Q30 WeakPolarHBondContact O-CG 3.34Å; N26-Q30 PolarHBondContact O-N 3.46Å; N26-R76 WeakPolarHBondContact OD1-CD 3.29Å; N26-R76 PolarHBondContact OD1-NH1 2.96Å
27N96.8Very high93.9Very high98 Ų9871.2 Ų71.252%0.52439%0.39SS..Hα-helixtrans-63.4-40.9173.6177.2-110.2000111.7G23 A24 Q30 T31G23-N27 WeakPolarHBondContact O-CB 3.02Å; G23-N27 PolarHBondContact O-N 3.38Å; A24-N27 PolarHBondContact O-N 2.9Å; N27-Q30 PolarHBondContact O-N 3.28Å; N27-T31 WeakPolarHBondContact O-CB 3.32Å; N27-T31 PolarHBondContact O-N 3.39Å; N27-T31 PolarHBondContact O-OG1 2.91Å
28M95.9Very high93.9Very high40 Ų4070.4 Ų70.420%0.19738%0.381CS..Hα-helixtrans-58.3-50.3172.6177-16873.700111.3A24 V25 N26 Q30 T31 V32 Y69 L72 K73A24-M28 WeakPolarHBondContact O-CB 3.4Å; A24-M28 PolarHBondContact O-N 3.41Å; V25-M28 HydrophobicContact CB-CE 4.46Å; V25-M28 HydrophobicContact CG1-CE 3.71Å; V25-M28 WeakPolarHBondContact O-CB 3.37Å; V25-M28 PolarHBondContact O-N 3.42Å; N26-M28 VanDerWaalsContact C-N 3.33Å; M28-Q30 VanDerWaalsContact C-N 3.28Å; M28-Q30 PolarHBondContact O-N 3.01Å; M28-T31 PolarHBondContact O-N 2.99Å; M28-V32 HydrophobicContact CG-CG2 4.13Å; M28-V32 WeakPolarHBondContact O-CG2 3.23Å; M28-V32 PolarHBondContact O-N 2.99Å; M28-Y69 HydrophobicContact CE-CD2 3.46Å; M28-Y69 VanDerWaalsContact CE-CD2 3.46Å; M28-Y69 HydrophobicContact CE-CE2 3.75Å; M28-Y69 HydrophobicContact CE-CG 4.42Å; M28-Y69 HydrophobicContact CG-CD2 4.12Å; M28-Y69 HydrophobicContact CG-CE2 4.36Å; M28-Y69 HydrophobicContact SD-CD2 3.76Å; M28-Y69 HydrophobicContact SD-CE2 4.41Å; M28-L72 HydrophobicContact CE-CB 4.17Å; M28-L72 HydrophobicContact CE-CD1 4.38Å; M28-L72 HydrophobicContact SD-CD1 3.84Å; M28-K73 HydrophobicContact CE-CG 4.02Å
29D93.4Very high93.7Very high50 Ų5075.9 Ų75.927%0.26740%0.4SS..Hα-helixtrans-62.1-32.9-179.7-158.329.7000112.5V25 N26 Y69 K73 R76V25-D29 WeakPolarHBondContact O-CB 3.43Å; V25-D29 PolarHBondContact O-N 3.5Å; N26-D29 PolarHBondContact O-N 2.9Å; D29-Y69 PolarHBondContact OD1-OH 3.05Å; D29-Y69 VanDerWaalsContact OD1-OH 3.06Å; D29-K73 IonicContact OD1-NZ 2.71Å; D29-K73 PolarHBondContact OD1-NZ 3.22Å; D29-K73 IonicContact OD2-NZ 3.73Å; D29-R76 IonicContact OD2-CZ 3.52Å; D29-R76 IonicContact OD2-NH1 3Å; D29-R76 PolarHBondContact OD2-NH1 3.37Å; D29-R76 IonicContact OD2-NH2 3.03Å; D29-R76 PolarHBondContact OD2-NH2 3.11Å
30Q94.3Very high93.4Very high141 Ų14179.6 Ų79.666%0.65942%0.421SS*.Hα-helixtrans-73.7-28.2173.1-73.7177.4-16.100113.3N26 N27 M28 M33N26-Q30 WeakPolarHBondContact O-CG 3.34Å; N26-Q30 PolarHBondContact O-N 3.46Å; N27-Q30 PolarHBondContact O-N 3.28Å; M28-Q30 VanDerWaalsContact C-N 3.28Å; M28-Q30 PolarHBondContact O-N 3.01Å; Q30-M33 WeakPolarHBondContact O-CE 3.47Å
31T95.8Very high93Very high94 Ų9472.9 Ų72.958%0.57740%0.401SS*.Hα-helixtrans-88.5-38.9-176-54.90000111.3N27 M28 M33N27-T31 WeakPolarHBondContact O-CB 3.32Å; N27-T31 PolarHBondContact O-N 3.39Å; N27-T31 PolarHBondContact O-OG1 2.91Å; M28-T31 PolarHBondContact O-N 2.99Å; T31-M33 VanDerWaalsContact C-N 3.33Å; T31-M33 PolarHBondContact O-N 3.38Å
32V94.6Very high92.3Very high34 Ų3473.3 Ų73.321%0.20641%0.409CS..  trans-79.781.3178.8-176.80000109.4M28 V34 P35 L38 Y69M28-V32 HydrophobicContact CG-CG2 4.13Å; M28-V32 WeakPolarHBondContact O-CG2 3.23Å; M28-V32 PolarHBondContact O-N 2.99Å; V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.47Å; V32-P35 HydrophobicContact CG1-CB 4.2Å; V32-P35 HydrophobicContact CG1-CG 4.06Å; V32-L38 HydrophobicContact CG1-CD1 3.73Å; V32-L38 HydrophobicContact CG1-CG 4.39Å; V32-L38 HydrophobicContact CG2-CD1 4.34Å; V32-Y69 HydrophobicContact CB-CE2 4.09Å; V32-Y69 HydrophobicContact CG1-CE2 4.17Å; V32-Y69 HydrophobicContact CG2-CD2 4.44Å; V32-Y69 HydrophobicContact CG2-CE2 4.35Å
33M92.8Very high91.2Very high151 Ų15174.6 Ų74.674%0.74442%0.416SS*.SBendtrans-71.9-26.8-178.4-61.9-93.978.200113.2Q30 T31Q30-M33 WeakPolarHBondContact O-CE 3.47Å; T31-M33 VanDerWaalsContact C-N 3.33Å; T31-M33 PolarHBondContact O-N 3.38Å
34V94.2Very high89.3Confident75 Ų7581 Ų8146%0.45544%0.435SS..  trans-132.983.2-178.6-1710000109.1V32 S36 L37V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.47Å; V34-S36 WeakPolarHBondContact CG1-OG 3.39Å; V34-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact O-N 3.12Å; V34-L37 HydrophobicContact CB-CD1 3.95Å; V34-L37 HydrophobicContact CB-CG 4.08Å; V34-L37 HydrophobicContact CG1-CD1 4.17Å; V34-L37 HydrophobicContact CG1-CG 3.84Å; V34-L37 WeakPolarHBondContact O-CB 3.29Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-L37 VanDerWaalsContact O-N 3.1Å
35P90.5Very high87.3Confident38 Ų3884.1 Ų84.125%0.24744%0.44CS..G310 helixtrans-59.2-26.3-175.3-26.535.1000114.4V32 L37 L38 Y66 Y69V32-P35 HydrophobicContact CG1-CB 4.2Å; V32-P35 HydrophobicContact CG1-CG 4.06Å; P35-L37 PolarHBondContact O-N 2.71Å; P35-L38 WeakPolarHBondContact O-CB 3.4Å; P35-L38 PolarHBondContact O-N 3.49Å; P35-Y66 HydrophobicContact CB-CD2 4.08Å; P35-Y66 HydrophobicContact CB-CE2 3.73Å; P35-Y66 VanDerWaalsContact O-CD2 3.22Å; P35-Y66 WeakPolarHBondContact O-CD2 3.5Å; P35-Y69 HydrophobicContact CB-CD1 4.4Å; P35-Y69 HydrophobicContact CB-CE1 3.81Å; P35-Y69 HydrophobicContact CG-CE1 4.05Å
36S91Very high85.2Confident60 Ų6091.3 Ų91.342%0.4247%0.473SS..G310 helixtrans-64.2-18.8178.357.90000113.9V34 L38 R39V34-S36 WeakPolarHBondContact CG1-OG 3.39Å; V34-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact O-N 3.12Å; S36-L38 PolarHBondContact O-N 3.33Å; S36-R39 WeakPolarHBondContact O-CB 3.4Å; S36-R39 PolarHBondContact O-N 3.14Å
37L92.1Very high83Confident130 Ų130100.1 Ų100.168%0.68150%0.502SS*.G310 helixtrans-72.9-11.9174.4-64.4179.3000113V34 P35 R39 V41V34-L37 HydrophobicContact CB-CD1 3.95Å; V34-L37 HydrophobicContact CB-CG 4.08Å; V34-L37 HydrophobicContact CG1-CD1 4.17Å; V34-L37 HydrophobicContact CG1-CG 3.84Å; V34-L37 WeakPolarHBondContact O-CB 3.29Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-L37 VanDerWaalsContact O-N 3.1Å; P35-L37 PolarHBondContact O-N 2.71Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å
38L90.6Very high80.7Confident41 Ų41103 Ų10322%0.21551%0.512CS..G310 helixtrans-88-6.1175.5-58.5179.7000112.3V32 P35 S36 M65 Y66 Y69V32-L38 HydrophobicContact CG1-CD1 3.73Å; V32-L38 HydrophobicContact CG1-CG 4.39Å; V32-L38 HydrophobicContact CG2-CD1 4.34Å; P35-L38 WeakPolarHBondContact O-CB 3.4Å; P35-L38 PolarHBondContact O-N 3.49Å; S36-L38 PolarHBondContact O-N 3.33Å; L38-M65 HydrophobicContact CB-CB 3.85Å; L38-M65 HydrophobicContact CD2-CB 4.14Å; L38-M65 HydrophobicContact CG-CB 4.45Å; L38-Y66 PolarHBondContact O-N 2.88Å; L38-Y69 HydrophobicContact CD1-CD2 4.44Å; L38-Y69 HydrophobicContact CD1-CG 4.22Å
39R89.3Confident78.5Confident139 Ų139104.2 Ų104.253%0.52552%0.518SS..THydrogen-bonded Turntrans-70.5139.8177.1-76.1-164.8-103.7167-5.4110.3S36 L37 V41 D64 Y66S36-R39 WeakPolarHBondContact O-CB 3.4Å; S36-R39 PolarHBondContact O-N 3.14Å; L37-R39 VanDerWaalsContact C-N 3.33Å; R39-V41 PolarHBondContact O-N 3.3Å; R39-V41 VanDerWaalsContact O-N 3.11Å; R39-D64 VanDerWaalsContact CA-OD2 3.26Å; R39-D64 WeakPolarHBondContact CA-OD2 3.32Å; R39-Y66 HydrophobicContact CG-CD1 3.49Å; R39-Y66 VanDerWaalsContact CG-CD1 3.49Å; R39-Y66 HydrophobicContact CG-CD2 4.44Å; R39-Y66 HydrophobicContact CG-CE1 4.21Å; R39-Y66 HydrophobicContact CG-CG 3.66Å
40D84.6Confident76.3Confident148 Ų148104.1 Ų104.179%0.79152%0.524SS*.THydrogen-bonded Turntrans59.219.8179.9-44-59.2000113.4D64D40-D64 PolarHBondContact N-OD2 3.42Å
41V84.8Confident74Confident55 Ų55101.6 Ų101.633%0.33353%0.527SS..  trans-95.2116.9174.2179.80000108.6L37 R39 D64 M65L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; R39-V41 PolarHBondContact O-N 3.3Å; R39-V41 VanDerWaalsContact O-N 3.11Å; V41-D64 WeakPolarHBondContact O-CA 3.33Å; V41-M65 HydrophobicContact CB-CB 4.12Å; V41-M65 HydrophobicContact CB-CG 4.03Å; V41-M65 HydrophobicContact CG1-CB 4.38Å; V41-M65 HydrophobicContact CG1-CG 3.77Å; V41-M65 PolarHBondContact O-N 3.02Å
42P80.1Confident71.7Confident62 Ų62104.5 Ų104.540%0.40354%0.539SS..  trans-67.4148.5179.927.4-33.8000111.1E44P42-E44 PolarHBondContact O-N 3.44Å
43L70.2Confident69.6Low50 Ų50107.5 Ų107.526%0.26255%0.549SS..  trans-74.975173.6-72.4166.5000110.1E45 G63 M65L43-E45 PolarHBondContact O-N 2.81Å; L43-G63 VanDerWaalsContact CD1-O 3.26Å; L43-G63 WeakPolarHBondContact CD1-O 3.41Å; L43-G63 WeakPolarHBondContact CG-O 3.37Å; L43-M65 HydrophobicContact CD2-CE 3.72Å; L43-M65 HydrophobicContact CD2-CG 4.07Å; L43-M65 HydrophobicContact CD2-SD 3.39Å; L43-M65 WeakPolarHBondContact CD2-SD 3.41Å; L43-M65 HydrophobicContact CG-SD 4.49Å
44E57.1Low67.2Low174 Ų174105.7 Ų105.781%0.81355%0.551SS**  trans-704.7-171.1-165147.5-163.300115.2P42 E46P42-E44 PolarHBondContact O-N 3.44Å; E44-E46 VanDerWaalsContact C-N 3.31Å; E44-E46 PolarHBondContact O-N 2.97Å
45E55.6Low64.8Low127 Ų127107.8 Ų107.859%0.59357%0.569SS**  trans-9255.3175.2-111.9176.3-165.100112.8L43 R47L43-E45 PolarHBondContact O-N 2.81Å; E45-R47 PolarHBondContact O-N 3.26Å
46E51.5Low62.2Low155 Ų155109 Ų10972%0.72459%0.588SS**Hα-helixtrans-63.6-19.5177.1-165.8175.1-176.100112.7E44 A50E44-E46 VanDerWaalsContact C-N 3.31Å; E44-E46 PolarHBondContact O-N 2.97Å; E46-A50 WeakPolarHBondContact O-CB 3.47Å
47R47.7Very low60.1Low240 Ų240114.1 Ų114.191%0.90661%0.611SS**Hα-helixtrans-93-25.7-166.6-145.6177.8-93.5-95.12.3115.8E45E45-R47 PolarHBondContact O-N 3.26Å
48E48.6Very low57.7Low159 Ų159111.3 Ų111.374%0.74360%0.602SS**Hα-helixtrans-100.7-31.3179.4-140.9176.3-169.100112.3
49M50.3Low55.3Low66 Ų66117 Ų11733%0.32563%0.633SS.*Hα-helixtrans-79.3-15.2173.9-70.2-157.4-78.600114.2A51 L52M49-A51 PolarHBondContact O-N 3.49Å; M49-L52 PolarHBondContact O-N 2.96Å
50A46.8Very low53.4Low47 Ų47115 Ų11539%0.38863%0.631SS.*G310 helixtrans-63.1-24.417500000114E46 L52 K53E46-A50 WeakPolarHBondContact O-CB 3.47Å; A50-L52 PolarHBondContact O-N 3.44Å; A50-K53 PolarHBondContact O-N 3.11Å; A50-K53 VanDerWaalsContact O-N 3.11Å
51A45.1Very low51.9Low88 Ų88116.4 Ų116.473%0.72763%0.633SS**G310 helixtrans-66.2-24.6178.200000113.2M49M49-A51 PolarHBondContact O-N 3.49Å
52L48.8Very low50.5Low156 Ų156119.4 Ų119.482%0.81765%0.648SS**G310 helixtrans-87-15.6175.4-69.5161.4000112.7M49 A50M49-L52 PolarHBondContact O-N 2.96Å; A50-L52 PolarHBondContact O-N 3.44Å
53K50.9Low49.7Very low97 Ų97117.3 Ų117.342%0.42264%0.637SS.*  trans-88.3-1.3-174.6-64.2177.7179.3-170.20114.2A50 S55 I60A50-K53 PolarHBondContact O-N 3.11Å; A50-K53 VanDerWaalsContact O-N 3.11Å; K53-S55 PolarHBondContact O-N 2.96Å; K53-S55 VanDerWaalsContact O-N 3.1Å; K53-I60 HydrophobicContact CD-CD1 3.54Å; K53-I60 HydrophobicContact CG-CD1 4.17Å
54S41.2Very low50.4Low112 Ų112116.1 Ų116.178%0.78363%0.631SS**  trans-71.8-0.1-174.8-178.40000115.3
55S44.5Very low51.8Low120 Ų120110.9 Ų110.984%0.83961%0.607SS**SBendtrans-123.765-176.1-173.30000112.3K53K53-S55 PolarHBondContact O-N 2.96Å; K53-S55 VanDerWaalsContact O-N 3.1Å
56G36.2Very low53.5Low62 Ų62108 Ų10864%0.63959%0.591SS**SBendtrans116.7117163.900000113
57N47Very low55.2Low168 Ų168102.4 Ų102.490%0.89857%0.57SS**  trans9.7120.5159.4-77.920000117.6
58S40.8Very low57.2Low71 Ų7195.2 Ų95.250%0.49754%0.543SS..  -173.2141.5120.646.90000111.4I60S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 2.94Å
59D41Very low59.2Low160 Ų16088.3 Ų88.386%0.85651%0.51SS*.  trans-56.289.6155.8-66.7-65.9000108.4E61D59-E61 PolarHBondContact O-N 3.32Å
60I48.4Very low61.1Low97 Ų9788.8 Ų88.850%0.49751%0.512SS..  trans-79.278.9177-62.7163.1000106.9K53 S58 D62K53-I60 HydrophobicContact CD-CD1 3.54Å; K53-I60 HydrophobicContact CG-CD1 4.17Å; S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 2.94Å; I60-D62 PolarHBondContact O-N 3.35Å
61E52.5Low63.2Low179 Ų17987.2 Ų87.284%0.83650%0.497SS*.  trans-74.6102.4160-86.4-174.8154.900108.7D59 G63D59-E61 PolarHBondContact O-N 3.32Å; E61-G63 PolarHBondContact O-N 3.19Å
62D55.6Low65.5Low118 Ų11884.4 Ų84.463%0.63147%0.469SS*.  trans56.558.1130.2-117.710.6000118.1I60 D64I60-D62 PolarHBondContact O-N 3.35Å; D62-D64 PolarHBondContact O-N 2.98Å
63G64.4Low67.6Low18 Ų1879.6 Ų79.619%0.18644%0.442CS..  trans-66123.8147.200000109.7L43 E61 E117L43-G63 VanDerWaalsContact CD1-O 3.26Å; L43-G63 WeakPolarHBondContact CD1-O 3.41Å; L43-G63 WeakPolarHBondContact CG-O 3.37Å; E61-G63 PolarHBondContact O-N 3.19Å; G63-E117 VanDerWaalsContact CA-OE1 3.27Å; G63-E117 WeakPolarHBondContact CA-OE1 3.34Å
64D83.8Confident69.5Low25 Ų2576.9 Ų76.913%0.13444%0.435CS..  trans-68.5158.9176.571.43.4000111.3R39 D40 V41 D62 Y66 S67 Y68R39-D64 VanDerWaalsContact CA-OD2 3.26Å; R39-D64 WeakPolarHBondContact CA-OD2 3.32Å; D40-D64 PolarHBondContact N-OD2 3.42Å; V41-D64 WeakPolarHBondContact O-CA 3.33Å; D62-D64 PolarHBondContact O-N 2.98Å; D64-Y66 PolarHBondContact O-N 3.38Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.28Å; D64-Y66 PolarHBondContact OD1-N 3.45Å; D64-S67 PolarHBondContact O-N 2.94Å; D64-S67 VanDerWaalsContact OD1-CB 3.28Å; D64-S67 WeakPolarHBondContact OD1-CB 3.21Å; D64-S67 PolarHBondContact OD1-N 3.21Å; D64-S67 PolarHBondContact OD1-OG 3.42Å; D64-Y68 PolarHBondContact O-N 3.19Å
65M87.6Confident71.9Confident64 Ų6472.1 Ų72.132%0.31540%0.401SS..Hα-helixtrans-54-29.4177.5-78.5-79.7-172.500112.8L38 V41 L43 Y69L38-M65 HydrophobicContact CB-CB 3.85Å; L38-M65 HydrophobicContact CD2-CB 4.14Å; L38-M65 HydrophobicContact CG-CB 4.45Å; V41-M65 HydrophobicContact CB-CB 4.12Å; V41-M65 HydrophobicContact CB-CG 4.03Å; V41-M65 HydrophobicContact CG1-CB 4.38Å; V41-M65 HydrophobicContact CG1-CG 3.77Å; V41-M65 PolarHBondContact O-N 3.02Å; L43-M65 HydrophobicContact CD2-CE 3.72Å; L43-M65 HydrophobicContact CD2-CG 4.07Å; L43-M65 HydrophobicContact CD2-SD 3.39Å; L43-M65 WeakPolarHBondContact CD2-SD 3.41Å; L43-M65 HydrophobicContact CG-SD 4.49Å; M65-Y69 WeakPolarHBondContact O-CB 3.35Å; M65-Y69 PolarHBondContact O-N 2.91Å
66Y90.2Very high74.2Confident65 Ų6567.5 Ų67.526%0.25537%0.365SS..Hα-helixtrans-65.8-49177.2-176-119.4000110.8P35 L38 R39 D64 Y68 Y69 Q70P35-Y66 HydrophobicContact CB-CD2 4.08Å; P35-Y66 HydrophobicContact CB-CE2 3.73Å; P35-Y66 VanDerWaalsContact O-CD2 3.22Å; P35-Y66 WeakPolarHBondContact O-CD2 3.5Å; L38-Y66 PolarHBondContact O-N 2.88Å; R39-Y66 HydrophobicContact CG-CD1 3.49Å; R39-Y66 VanDerWaalsContact CG-CD1 3.49Å; R39-Y66 HydrophobicContact CG-CD2 4.44Å; R39-Y66 HydrophobicContact CG-CE1 4.21Å; R39-Y66 HydrophobicContact CG-CG 3.66Å; D64-Y66 PolarHBondContact O-N 3.38Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.28Å; D64-Y66 PolarHBondContact OD1-N 3.45Å; Y66-Y68 VanDerWaalsContact C-N 3.34Å; Y66-Y68 PolarHBondContact O-N 3.37Å; Y66-Y69 HydrophobicContact CD2-CD1 4.24Å; Y66-Y69 HydrophobicContact CE2-CD1 4.33Å; Y66-Y69 CarbonylContact O-C 3.6Å; Y66-Y69 WeakPolarHBondContact O-CA 3.48Å; Y66-Y69 VanDerWaalsContact O-CB 3.29Å; Y66-Y69 WeakPolarHBondContact O-CB 3.06Å; Y66-Y69 PolarHBondContact O-N 3.25Å; Y66-Y69 VanDerWaalsContact O-N 3.07Å; Y66-Q70 VanDerWaalsContact CD2-NE2 3.28Å; Y66-Q70 VanDerWaalsContact CE2-NE2 3.26Å; Y66-Q70 PolarHBondContact O-N 3.49Å; Y66-Q70 PolarHBondContact O-NE2 3.5Å; Y66-Q70 PolarHBondContact OH-OE1 3.41Å
67S88.1Confident76.7Confident38 Ų3867 Ų6727%0.26635%0.352SS..Hα-helixtrans-59.8-44-179-56.50000111.1D64 Y69 Q70 L71 E117D64-S67 PolarHBondContact O-N 2.94Å; D64-S67 VanDerWaalsContact OD1-CB 3.28Å; D64-S67 WeakPolarHBondContact OD1-CB 3.21Å; D64-S67 PolarHBondContact OD1-N 3.21Å; D64-S67 PolarHBondContact OD1-OG 3.42Å; S67-Y69 PolarHBondContact O-N 2.97Å; S67-Q70 WeakPolarHBondContact O-CB 3.41Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-Q70 VanDerWaalsContact O-N 3.12Å; S67-L71 PolarHBondContact O-N 3.01Å; S67-E117 VanDerWaalsContact CB-OE2 3.23Å; S67-E117 WeakPolarHBondContact CB-OE2 3.33Å
68Y88.8Confident78.7Confident89 Ų8959.8 Ų59.835%0.34931%0.313SS..Hα-helixtrans-62.6-41.5172.3-169.3-110.7000113.4D64 Y66 Q70 L71 L72D64-Y68 PolarHBondContact O-N 3.19Å; Y66-Y68 VanDerWaalsContact C-N 3.34Å; Y66-Y68 PolarHBondContact O-N 3.37Å; Y68-Q70 VanDerWaalsContact C-N 3.28Å; Y68-Q70 PolarHBondContact O-N 2.91Å; Y68-L71 HydrophobicContact CD2-CD2 4.22Å; Y68-L71 HydrophobicContact CE2-CD2 4.4Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 3.36Å; Y68-L72 HydrophobicContact CD1-CD1 3.86Å; Y68-L72 HydrophobicContact CD1-CG 4.3Å; Y68-L72 HydrophobicContact CE1-CD1 3.49Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.49Å; Y68-L72 HydrophobicContact CE1-CD2 4.32Å; Y68-L72 HydrophobicContact CE1-CG 3.98Å; Y68-L72 WeakPolarHBondContact O-CG 3.37Å; Y68-L72 PolarHBondContact O-N 2.75Å
69Y91.7Very high81.1Confident15 Ų1558.1 Ų58.16%0.05930%0.298CS..Hα-helixtrans-58.5-39.5173.3163.4-93.9000112M28 D29 V32 P35 L38 M65 Y66 S67 K73M28-Y69 HydrophobicContact CE-CD2 3.46Å; M28-Y69 VanDerWaalsContact CE-CD2 3.46Å; M28-Y69 HydrophobicContact CE-CE2 3.75Å; M28-Y69 HydrophobicContact CE-CG 4.42Å; M28-Y69 HydrophobicContact CG-CD2 4.12Å; M28-Y69 HydrophobicContact CG-CE2 4.36Å; M28-Y69 HydrophobicContact SD-CD2 3.76Å; M28-Y69 HydrophobicContact SD-CE2 4.41Å; D29-Y69 PolarHBondContact OD1-OH 3.05Å; D29-Y69 VanDerWaalsContact OD1-OH 3.06Å; V32-Y69 HydrophobicContact CB-CE2 4.09Å; V32-Y69 HydrophobicContact CG1-CE2 4.17Å; V32-Y69 HydrophobicContact CG2-CD2 4.44Å; V32-Y69 HydrophobicContact CG2-CE2 4.35Å; P35-Y69 HydrophobicContact CB-CD1 4.4Å; P35-Y69 HydrophobicContact CB-CE1 3.81Å; P35-Y69 HydrophobicContact CG-CE1 4.05Å; L38-Y69 HydrophobicContact CD1-CD2 4.44Å; L38-Y69 HydrophobicContact CD1-CG 4.22Å; M65-Y69 WeakPolarHBondContact O-CB 3.35Å; M65-Y69 PolarHBondContact O-N 2.91Å; Y66-Y69 HydrophobicContact CD2-CD1 4.24Å; Y66-Y69 HydrophobicContact CE2-CD1 4.33Å; Y66-Y69 CarbonylContact O-C 3.6Å; Y66-Y69 WeakPolarHBondContact O-CA 3.48Å; Y66-Y69 VanDerWaalsContact O-CB 3.29Å; Y66-Y69 WeakPolarHBondContact O-CB 3.06Å; Y66-Y69 PolarHBondContact O-N 3.25Å; Y66-Y69 VanDerWaalsContact O-N 3.07Å; S67-Y69 PolarHBondContact O-N 2.97Å; Y69-K73 HydrophobicContact CD1-CD 4.24Å; Y69-K73 HydrophobicContact CD2-CD 4.33Å; Y69-K73 HydrophobicContact CE1-CD 3.59Å; Y69-K73 HydrophobicContact CE2-CD 3.68Å; Y69-K73 HydrophobicContact CE2-CG 4.41Å; Y69-K73 WeakPolarHBondContact O-CG 3.3Å; Y69-K73 PolarHBondContact O-N 2.74Å; Y69-K73 VanDerWaalsContact O-N 3.17Å; Y69-K73 WeakPolarHBondContact OH-CD 3.42Å; Y69-K73 PolarHBondContact OH-NZ 2.98Å
70Q90.6Very high83.2Confident75 Ų7554.4 Ų54.435%0.3528%0.275SS..Hα-helixtrans-67.5-44.4174.6-89.1137.8111.400112.4Y66 S67 Y68 L72 K73 S74Y66-Q70 VanDerWaalsContact CD2-NE2 3.28Å; Y66-Q70 VanDerWaalsContact CE2-NE2 3.26Å; Y66-Q70 PolarHBondContact O-N 3.49Å; Y66-Q70 PolarHBondContact O-NE2 3.5Å; Y66-Q70 PolarHBondContact OH-OE1 3.41Å; S67-Q70 WeakPolarHBondContact O-CB 3.41Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-Q70 VanDerWaalsContact O-N 3.12Å; Y68-Q70 VanDerWaalsContact C-N 3.28Å; Y68-Q70 PolarHBondContact O-N 2.91Å; Q70-L72 VanDerWaalsContact C-N 3.35Å; Q70-L72 PolarHBondContact O-N 3.39Å; Q70-K73 PolarHBondContact O-N 2.89Å; Q70-S74 VanDerWaalsContact O-CB 3.29Å; Q70-S74 WeakPolarHBondContact O-CB 3.36Å; Q70-S74 PolarHBondContact O-N 3.43Å
71L90.7Very high84.8Confident14 Ų1458.1 Ų58.17%0.07328%0.283CS..Hα-helixtrans-54.7-50.7176.7177.463.4000111.2S67 Y68 K73 S74 I75 E117 Q121S67-L71 PolarHBondContact O-N 3.01Å; Y68-L71 HydrophobicContact CD2-CD2 4.22Å; Y68-L71 HydrophobicContact CE2-CD2 4.4Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 3.36Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.37Å; L71-S74 VanDerWaalsContact O-CB 3.32Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.49Å; L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CG-CD1 4.17Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 2.86Å; L71-E117 WeakPolarHBondContact CD1-O 3.43Å; L71-Q121 HydrophobicContact CD1-CB 3.64Å
72L93.2Very high85.9Confident30 Ų3051 Ų5116%0.15726%0.258CS..Hα-helixtrans-60.7-41.8178.6-68.1177.1000112.4F21 V25 M28 Y68 Q70 I75 R76F21-L72 HydrophobicContact CE2-CD2 3.87Å; F21-L72 HydrophobicContact CZ-CD2 4.35Å; V25-L72 HydrophobicContact CG2-CB 4.25Å; M28-L72 HydrophobicContact CE-CB 4.17Å; M28-L72 HydrophobicContact CE-CD1 4.38Å; M28-L72 HydrophobicContact SD-CD1 3.84Å; Y68-L72 HydrophobicContact CD1-CD1 3.86Å; Y68-L72 HydrophobicContact CD1-CG 4.3Å; Y68-L72 HydrophobicContact CE1-CD1 3.49Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.49Å; Y68-L72 HydrophobicContact CE1-CD2 4.32Å; Y68-L72 HydrophobicContact CE1-CG 3.98Å; Y68-L72 WeakPolarHBondContact O-CG 3.37Å; Y68-L72 PolarHBondContact O-N 2.75Å; Q70-L72 VanDerWaalsContact C-N 3.35Å; Q70-L72 PolarHBondContact O-N 3.39Å; L72-I75 PolarHBondContact O-N 3.4Å; L72-R76 PolarHBondContact O-N 2.97Å
73K92.8Very high86.5Confident54 Ų5446 Ų4624%0.23523%0.232CC..Hα-helixtrans-66.1-38.7176.3-76.3-174.764.8158.20112.5V25 M28 D29 Y69 Q70 L71 R76 C77V25-K73 HydrophobicContact CG1-CG 4.18Å; M28-K73 HydrophobicContact CE-CG 4.02Å; D29-K73 IonicContact OD1-NZ 2.71Å; D29-K73 PolarHBondContact OD1-NZ 3.22Å; D29-K73 IonicContact OD2-NZ 3.73Å; Y69-K73 HydrophobicContact CD1-CD 4.24Å; Y69-K73 HydrophobicContact CD2-CD 4.33Å; Y69-K73 HydrophobicContact CE1-CD 3.59Å; Y69-K73 HydrophobicContact CE2-CD 3.68Å; Y69-K73 HydrophobicContact CE2-CG 4.41Å; Y69-K73 WeakPolarHBondContact O-CG 3.3Å; Y69-K73 PolarHBondContact O-N 2.74Å; Y69-K73 VanDerWaalsContact O-N 3.17Å; Y69-K73 WeakPolarHBondContact OH-CD 3.42Å; Y69-K73 PolarHBondContact OH-NZ 2.98Å; Q70-K73 PolarHBondContact O-N 2.89Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.37Å; K73-R76 PolarHBondContact O-N 3.24Å; K73-C77 PolarHBondContact O-N 3.37Å; K73-C77 PolarHBondContact O-SG 2.92Å
74S90.4Very high86.1Confident41 Ų4150.5 Ų50.529%0.28725%0.249SC..Hα-helixtrans-60.7-49.2176.7-160.70000110.6Q70 L71 R76 C77 D78 Q121Q70-S74 VanDerWaalsContact O-CB 3.29Å; Q70-S74 WeakPolarHBondContact O-CB 3.36Å; Q70-S74 PolarHBondContact O-N 3.43Å; L71-S74 VanDerWaalsContact O-CB 3.32Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.49Å; S74-R76 PolarHBondContact O-N 2.84Å; S74-C77 WeakPolarHBondContact O-CB 3.39Å; S74-C77 PolarHBondContact O-N 3.08Å; S74-D78 PolarHBondContact O-N 3.38Å; S74-Q121 PolarHBondContact OG-NE2 2.91Å; S74-Q121 PolarHBondContact OG-OE1 3.49Å
75I91.5Very high84.6Confident12 Ų1257.7 Ų57.76%0.06228%0.275CS..Hα-helixtrans-63.3-40.1176.2-64.6169.7000111.4F21 L71 L72 C77 D78 I79 L120 Q121 F124F21-I75 HydrophobicContact CE1-CB 4.28Å; F21-I75 HydrophobicContact CE1-CG2 3.74Å; F21-I75 HydrophobicContact CZ-CB 4.01Å; F21-I75 HydrophobicContact CZ-CG2 3.74Å; L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CG-CD1 4.17Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 2.86Å; L72-I75 PolarHBondContact O-N 3.4Å; I75-C77 VanDerWaalsContact C-N 3.35Å; I75-C77 PolarHBondContact O-N 3.44Å; I75-D78 PolarHBondContact O-N 3.33Å; I75-I79 HydrophobicContact CG2-CD1 4.19Å; I75-I79 WeakPolarHBondContact O-CG1 3.46Å; I75-I79 PolarHBondContact O-N 3.49Å; I75-I79 VanDerWaalsContact O-N 3.11Å; I75-L120 HydrophobicContact CD1-CG 4.47Å; I75-Q121 HydrophobicContact CG1-CB 4.34Å; I75-Q121 HydrophobicContact CG1-CG 4.46Å; I75-F124 HydrophobicContact CG2-CD1 3.97Å; I75-F124 HydrophobicContact CG2-CD2 4.45Å; I75-F124 HydrophobicContact CG2-CE1 4.07Å; I75-F124 HydrophobicContact CG2-CG 4.18Å; I75-F124 HydrophobicContact CG2-CZ 4.38Å
76R93.2Very high82.7Confident22 Ų2255.9 Ų55.98%0.08327%0.27CS..Hα-helixtrans-57.4-48.4173.8179.2-170.367.7-170.10.9111.1F21 I22 V25 N26 D29 L72 K73 S74 D78 I79 E80F21-R76 HydrophobicContact CE1-CB 4.12Å; I22-R76 HydrophobicContact CG1-CG 4.39Å; V25-R76 HydrophobicContact CB-CB 4.34Å; V25-R76 HydrophobicContact CG1-CB 3.87Å; V25-R76 HydrophobicContact CG1-CG 4.25Å; N26-R76 WeakPolarHBondContact OD1-CD 3.29Å; N26-R76 PolarHBondContact OD1-NH1 2.96Å; D29-R76 IonicContact OD2-CZ 3.52Å; D29-R76 IonicContact OD2-NH1 3Å; D29-R76 PolarHBondContact OD2-NH1 3.37Å; D29-R76 IonicContact OD2-NH2 3.03Å; D29-R76 PolarHBondContact OD2-NH2 3.11Å; L72-R76 PolarHBondContact O-N 2.97Å; K73-R76 PolarHBondContact O-N 3.24Å; S74-R76 PolarHBondContact O-N 2.84Å; R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact O-N 3.12Å; R76-I79 PolarHBondContact O-N 2.92Å; R76-I79 VanDerWaalsContact O-N 3.12Å; R76-E80 HydrophobicContact CG-CG 4.32Å; R76-E80 PolarHBondContact O-N 3.36Å
77C89.1Confident80.8Confident53 Ų5360 Ų6036%0.35829%0.291SS..Hα-helixtrans-59.2-41.3178.3-71.60000111.9K73 S74 I75 I79 E80 W81K73-C77 PolarHBondContact O-N 3.37Å; K73-C77 PolarHBondContact O-SG 2.92Å; S74-C77 WeakPolarHBondContact O-CB 3.39Å; S74-C77 PolarHBondContact O-N 3.08Å; I75-C77 VanDerWaalsContact C-N 3.35Å; I75-C77 PolarHBondContact O-N 3.44Å; C77-I79 VanDerWaalsContact C-N 3.26Å; C77-I79 PolarHBondContact O-N 2.87Å; C77-E80 PolarHBondContact O-N 3.36Å; C77-W81 WeakPolarHBondContact O-CB 3.43Å; C77-W81 PolarHBondContact O-N 3.02Å
78D89.1Confident78.7Confident16 Ų1663.4 Ų63.49%0.08630%0.303CS..Hα-helixtrans-62.7-32177-75.1-18000112.6S74 I75 R76 G82 V83 Q121 F124 Q125S74-D78 PolarHBondContact O-N 3.38Å; I75-D78 PolarHBondContact O-N 3.33Å; R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact O-N 3.12Å; D78-G82 CarbonylContact O-C 3.24Å; D78-G82 VanDerWaalsContact O-C 3.24Å; D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 3.44Å; D78-G82 VanDerWaalsContact O-N 3.08Å; D78-V83 HydrophobicContact CB-CG2 4.25Å; D78-V83 PolarHBondContact O-N 2.95Å; D78-Q121 PolarHBondContact OD2-NE2 3.45Å; D78-F124 HydrophobicContact CB-CE1 4.25Å; D78-Q125 WeakPolarHBondContact OD2-CG 3.32Å; D78-Q125 PolarHBondContact OD2-NE2 3.49Å
79I89.9Confident76.9Confident36 Ų3661.7 Ų61.719%0.18531%0.308CS..Hα-helixtrans-75.3-48175.1-63.1166.1000111.2M18 F21 I22 I75 R76 C77 F124M18-I79 HydrophobicContact CB-CG2 4.31Å; M18-I79 HydrophobicContact CE-CD1 4.47Å; M18-I79 HydrophobicContact CE-CG1 4.1Å; M18-I79 HydrophobicContact CE-CG2 4.32Å; M18-I79 HydrophobicContact CG-CD1 4.48Å; M18-I79 HydrophobicContact SD-CG2 4.3Å; F21-I79 HydrophobicContact CD1-CD1 3.5Å; F21-I79 HydrophobicContact CE1-CD1 3.7Å; I22-I79 HydrophobicContact CD1-CB 4.45Å; I22-I79 HydrophobicContact CD1-CG2 3.66Å; I22-I79 HydrophobicContact CG1-CG2 4.28Å; I75-I79 HydrophobicContact CG2-CD1 4.19Å; I75-I79 WeakPolarHBondContact O-CG1 3.46Å; I75-I79 PolarHBondContact O-N 3.49Å; I75-I79 VanDerWaalsContact O-N 3.11Å; R76-I79 PolarHBondContact O-N 2.92Å; R76-I79 VanDerWaalsContact O-N 3.12Å; C77-I79 VanDerWaalsContact C-N 3.26Å; C77-I79 PolarHBondContact O-N 2.87Å; I79-F124 HydrophobicContact CD1-CE1 4.39Å; I79-F124 HydrophobicContact CD1-CE2 4.46Å; I79-F124 HydrophobicContact CD1-CZ 3.81Å; I79-F124 HydrophobicContact CG1-CE1 3.75Å; I79-F124 HydrophobicContact CG1-CE2 4.47Å; I79-F124 HydrophobicContact CG1-CZ 3.41Å; I79-F124 VanDerWaalsContact CG1-CZ 3.41Å
80E85.6Confident75.1Confident81 Ų8167.3 Ų67.338%0.37933%0.332SS..Hα-helixtrans-69.8-39.8-174.5-72179.6159.600112.5I22 R76 C77I22-E80 HydrophobicContact CD1-CG 4.36Å; I22-E80 WeakPolarHBondContact CG2-OE1 3.38Å; R76-E80 HydrophobicContact CG-CG 4.32Å; R76-E80 PolarHBondContact O-N 3.36Å; C77-E80 PolarHBondContact O-N 3.36Å
81W81.7Confident73.1Confident175 Ų17571.2 Ų71.266%0.66335%0.348SS*.Hα-helixtrans-109.3-5.4-172.9-58.8105000113.8C77C77-W81 WeakPolarHBondContact O-CB 3.43Å; C77-W81 PolarHBondContact O-N 3.02Å
82G76.9Confident71.2Confident30 Ų3077.5 Ų77.531%0.30937%0.371SS..  trans79144.4-175.600000113D78 M84D78-G82 CarbonylContact O-C 3.24Å; D78-G82 VanDerWaalsContact O-C 3.24Å; D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 3.44Å; D78-G82 VanDerWaalsContact O-N 3.08Å; G82-M84 PolarHBondContact O-N 2.98Å
83V68.2Low69.4Low13 Ų1384.2 Ų84.28%0.07940%0.399CS..THydrogen-bonded Turntrans-57.4-21.5-179.4-179.70000113.6D78 R85 A86 Q125 M128 T129D78-V83 HydrophobicContact CB-CG2 4.25Å; D78-V83 PolarHBondContact O-N 2.95Å; V83-R85 PolarHBondContact O-N 3.22Å; V83-A86 PolarHBondContact O-N 2.94Å; V83-A86 VanDerWaalsContact O-N 3.09Å; V83-Q125 HydrophobicContact CG1-CB 3.79Å; V83-Q125 HydrophobicContact CG1-CG 3.83Å; V83-Q125 HydrophobicContact CG2-CG 4.35Å; V83-M128 HydrophobicContact CG2-CB 3.79Å; V83-T129 WeakPolarHBondContact CG1-OG1 3.43Å
84M55.4Low67.4Low112 Ų11288.6 Ų88.655%0.55242%0.42SS*.Hα-helixtrans-63.1-12.5-175.1-66.6-66.2176.200114.7G82 T129G82-M84 PolarHBondContact O-N 2.98Å; M84-T129 HydrophobicContact CE-CG2 4.32Å
85R52.7Low65.3Low177 Ų17789.9 Ų89.967%0.66843%0.429SS*.Hα-helixtrans-85.6-21.5175-70.6-164.1137.7106.10.9114.5V83V83-R85 PolarHBondContact O-N 3.22Å
86A48.1Very low63.3Low26 Ų2698.8 Ų98.822%0.21546%0.462CS..Hα-helixtrans-79-41.3-174.500000112.8V83 A89 K90V83-A86 PolarHBondContact O-N 2.94Å; V83-A86 VanDerWaalsContact O-N 3.09Å; A86-A89 PolarHBondContact O-N 3.1Å; A86-K90 PolarHBondContact O-N 3.28Å
87E48.3Very low61.4Low151 Ų151100.6 Ų100.671%0.70648%0.482SS*.Hα-helixtrans-64.4-42.7179.4-76.8-107.1141.800112.3A89 K90 K91E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 3Å; E87-K90 PolarHBondContact O-N 3.38Å; E87-K91 PolarHBondContact O-N 3.03Å
88E45.3Very low59.5Low109 Ų109102.4 Ų102.451%0.50950%0.495SS..Hα-helixtrans-70.9-25.1179.7-58.2-170.5171.100113.1R92E88-R92 VanDerWaalsContact C-NH1 3.32Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 3.29Å; E88-R92 PolarHBondContact O-NH1 3.06Å; E88-R92 IonicContact OE2-CZ 3.71Å; E88-R92 IonicContact OE2-NH1 3.47Å; E88-R92 PolarHBondContact OE2-NH1 2.84Å; E88-R92 IonicContact OE2-NH2 2.98Å; E88-R92 PolarHBondContact OE2-NH2 2.97Å
89A50.1Low57.7Low54 Ų54108.9 Ų108.945%0.44653%0.528SS..Hα-helixtrans-73.3-36.7175.200000111.6A86 E87 R92 K93A86-A89 PolarHBondContact O-N 3.1Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 3Å; A89-R92 PolarHBondContact O-N 3.05Å; A89-K93 PolarHBondContact O-N 3.32Å; A89-K93 VanDerWaalsContact O-N 3.11Å
90K53.4Low55.7Low132 Ų132111.4 Ų111.457%0.57455%0.549SS*.Hα-helixtrans-65.9-42.1174.1-73.7-172.7176.2-176.60111.9A86 E87 R92 K93 E94A86-K90 PolarHBondContact O-N 3.28Å; E87-K90 PolarHBondContact O-N 3.38Å; K90-R92 VanDerWaalsContact C-N 3.27Å; K90-R92 PolarHBondContact O-N 3Å; K90-K93 PolarHBondContact O-N 2.88Å; K90-E94 PolarHBondContact O-N 3.29Å
91K50.6Low53.9Low158 Ų158118.6 Ų118.669%0.68757%0.573SS**Hα-helixtrans-61.9-32.2174.1-166.6175.1-178.4-179.80113.2E87 S95E87-K91 PolarHBondContact O-N 3.03Å; K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 2.98Å; K91-S95 PolarHBondContact O-OG 3.44Å
92R50.5Low52.3Low145 Ų145118.8 Ų118.855%0.54758%0.583SS.*Hα-helixtrans-74.8-26.7173.9-71.5-179.5-166.797-0.6113.5E88 A89 K90 S95 R96E88-R92 VanDerWaalsContact C-NH1 3.32Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 3.29Å; E88-R92 PolarHBondContact O-NH1 3.06Å; E88-R92 IonicContact OE2-CZ 3.71Å; E88-R92 IonicContact OE2-NH1 3.47Å; E88-R92 PolarHBondContact OE2-NH1 2.84Å; E88-R92 IonicContact OE2-NH2 2.98Å; E88-R92 PolarHBondContact OE2-NH2 2.97Å; A89-R92 PolarHBondContact O-N 3.05Å; K90-R92 VanDerWaalsContact C-N 3.27Å; K90-R92 PolarHBondContact O-N 3Å; R92-S95 WeakPolarHBondContact CA-OG 3.33Å; R92-S95 PolarHBondContact O-OG 3.03Å; R92-R96 WeakPolarHBondContact O-CG 3.29Å; R92-R96 PolarHBondContact O-N 2.71Å
93K54.2Low50.4Low171 Ų171124 Ų12474%0.74360%0.604SS**Hα-helixtrans-77.9-41.6175-121-179.9177.9-173.60111.7A89 K90 S95 R96 A97A89-K93 PolarHBondContact O-N 3.32Å; A89-K93 VanDerWaalsContact O-N 3.11Å; K90-K93 PolarHBondContact O-N 2.88Å; K93-S95 PolarHBondContact O-N 3.46Å; K93-R96 PolarHBondContact O-N 3.34Å; K93-R96 VanDerWaalsContact O-N 3.17Å; K93-A97 PolarHBondContact O-N 3Å
94E51.1Low48.9Very low147 Ų147128.7 Ų128.769%0.68764%0.637SS**Hα-helixtrans-65.9-36.7177.6-154.2173.3-153.300112.2K90 S98K90-E94 PolarHBondContact O-N 3.29Å; E94-S98 PolarHBondContact O-N 3.03Å; E94-S98 PolarHBondContact O-OG 3.2Å
95S47.3Very low48.2Very low67 Ų67127.1 Ų127.147%0.46964%0.642SS.*Hα-helixtrans-73.7-22.3172.948.30000114.5K91 R92 K93K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 2.98Å; K91-S95 PolarHBondContact O-OG 3.44Å; R92-S95 WeakPolarHBondContact CA-OG 3.33Å; R92-S95 PolarHBondContact O-OG 3.03Å; K93-S95 PolarHBondContact O-N 3.46Å
96R49.1Very low47.6Very low199 Ų199127 Ų12775%0.75165%0.649SS**Hα-helixtrans-83.3-31.9172.5-82.5178.165.693.7-1.8113.1R92 K93 S98 I99R92-R96 WeakPolarHBondContact O-CG 3.29Å; R92-R96 PolarHBondContact O-N 2.71Å; K93-R96 PolarHBondContact O-N 3.34Å; K93-R96 VanDerWaalsContact O-N 3.17Å; R96-S98 PolarHBondContact O-N 3.17Å; R96-I99 PolarHBondContact O-N 3.25Å
97A53.8Low47.1Very low61 Ų61134.8 Ų134.850%0.50468%0.681SS.*Hα-helixtrans-68.5-21.2174.200000112.9K93 I99K93-A97 PolarHBondContact O-N 3Å; A97-I99 VanDerWaalsContact C-N 3.35Å
98S48.3Very low46.6Very low91 Ų91133.8 Ų133.864%0.63668%0.68SS**THydrogen-bonded Turntrans-78-15178.1-56.30000114E94 R96E94-S98 PolarHBondContact O-N 3.03Å; E94-S98 PolarHBondContact O-OG 3.2Å; R96-S98 PolarHBondContact O-N 3.17Å
99I51.2Low46.1Very low151 Ų151133.5 Ų133.577%0.77469%0.69SS**THydrogen-bonded Turntrans-104.2-18.5-176.9-88.3165.2000113.3R96 A97R96-I99 PolarHBondContact O-N 3.25Å; A97-I99 VanDerWaalsContact C-N 3.35Å
100S47.7Very low45.4Very low90 Ų90139 Ų13963%0.62971%0.707SS**  trans-96.216.3-178.366.50000114.7M102S100-M102 PolarHBondContact O-N 3.4Å
101R48.1Very low44.6Very low232 Ų232138.6 Ų138.688%0.87572%0.715SS**  trans-79.957.4170-76.7-173176.3165.7-0.2111.4
102M47.3Very low44.2Very low178 Ų178134.9 Ų134.988%0.87771%0.709SS**SBendtrans-165.659.9160.7-162.2120.475.300110.4S100S100-M102 PolarHBondContact O-N 3.4Å
103D37Very low43.6Very low141 Ų141133.5 Ų133.575%0.75472%0.722SS**SBendtrans-170.5131.1140.5-14478.9000111.2
104S36.9Very low43.3Very low111 Ų111132.6 Ų132.678%0.77672%0.72SS**  trans73.7130.1156-68.10000121.1
105A41.5Very low43.2Very low79 Ų79132.2 Ų132.265%0.65372%0.718SS**  trans-85.3172.4-179.200000112.4
106E39.6Very low43.3Very low175 Ų175134.2 Ų134.282%0.81872%0.724SS**  trans73.6101.8168.2-43.4-58.1149.200116
107E37Very low43.4Very low188 Ų188127.6 Ų127.688%0.87970%0.701SS**  163.4131.5106.6-104.2179.6164.700109.6
108D38.4Very low43.7Very low131 Ų131127.1 Ų127.170%0.70169%0.69SS**  trans51.795.8144.5-14535.4000118.2
109S36Very low45.1Very low102 Ų102127.2 Ų127.271%0.71368%0.684SS**  trans-119.382.3163-176.10000107.2V111S109-V111 PolarHBondContact O-N 3.2Å
110E34.2Very low46.6Very low169 Ų169124.4 Ų124.479%0.7967%0.67SS**  trans-52.5109.7161.5-58.8-166.7152.200107.8
111V36.3Very low48.2Very low124 Ų124121.5 Ų121.575%0.75265%0.646SS**  trans-92.1128.4-178.6-79.60000109.2S109S109-V111 PolarHBondContact O-N 3.2Å
112S43.3Very low49.9Very low80 Ų80114.8 Ų114.856%0.55962%0.624SS**  trans86.375.5141.7-158.40000118.2
113S37.8Very low51.8Low117 Ų117110.9 Ų110.982%0.81860%0.603SS**SBendtrans-131.412.6150.2-47.30000112.9
114E47Very low54.2Low151 Ų151106.3 Ų106.371%0.70658%0.577SS**  trans-89.60.6-177.2-63.1-167.2178.600114.2D116 D118E114-D116 PolarHBondContact O-N 2.97Å; E114-D118 WeakPolarHBondContact O-CB 3.46Å; E114-D118 VanDerWaalsContact O-CG 3.29Å
115E50Low56.6Low139 Ų139102.3 Ų102.365%0.6555%0.546SS*.THydrogen-bonded Turntrans-74.5-29.9-168.7-62.2-164.6163.600114
116D48.7Very low58.9Low110 Ų110105.8 Ų105.859%0.58855%0.546SS*.THydrogen-bonded Turntrans-90.7-38.4-170.9-72.6-37.7000114E114 D118 N119E114-D116 PolarHBondContact O-N 2.97Å; D116-D118 VanDerWaalsContact C-N 3.34Å; D116-N119 VanDerWaalsContact O-CB 3.26Å; D116-N119 WeakPolarHBondContact O-CB 3.37Å; D116-N119 PolarHBondContact O-N 3.36Å; D116-N119 VanDerWaalsContact O-N 3.17Å
117E52Low61.4Low59 Ų59102.4 Ų102.428%0.27653%0.53SS..Hα-helixtrans-68-38.1174.4-65.7-167.9163.700111.7G63 S67 L71 N119G63-E117 VanDerWaalsContact CA-OE1 3.27Å; G63-E117 WeakPolarHBondContact CA-OE1 3.34Å; S67-E117 VanDerWaalsContact CB-OE2 3.23Å; S67-E117 WeakPolarHBondContact CB-OE2 3.33Å; L71-E117 WeakPolarHBondContact CD1-O 3.43Å; E117-N119 PolarHBondContact O-N 3.49Å
118D60.1Low63.8Low51 Ų5195.6 Ų95.627%0.27350%0.499SS..Hα-helixtrans-59-28.3171.7-98-6.9000112.9E114 D116 L120 Q121 K122E114-D118 WeakPolarHBondContact O-CB 3.46Å; E114-D118 VanDerWaalsContact O-CG 3.29Å; D116-D118 VanDerWaalsContact C-N 3.34Å; D118-L120 PolarHBondContact O-N 2.99Å; D118-Q121 PolarHBondContact O-N 2.79Å; D118-K122 HydrophobicContact CB-CD 4.08Å; D118-K122 VanDerWaalsContact CB-NZ 3.29Å; D118-K122 VanDerWaalsContact O-CB 3.24Å; D118-K122 WeakPolarHBondContact O-CB 3.18Å; D118-K122 WeakPolarHBondContact O-CD 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.38Å; D118-K122 PolarHBondContact O-N 3.43Å; D118-K122 VanDerWaalsContact OD2-CE 3.25Å; D118-K122 WeakPolarHBondContact OD2-CE 3.33Å; D118-K122 IonicContact OD2-NZ 2.73Å; D118-K122 PolarHBondContact OD2-NZ 2.76Å
119N77.9Confident66.2Low94 Ų9492 Ų9250%0.50348%0.482SS..Hα-helixtrans-66.3-42.5-171.5-172.336.3000111.4D116 E117 K122 Q123D116-N119 VanDerWaalsContact O-CB 3.26Å; D116-N119 WeakPolarHBondContact O-CB 3.37Å; D116-N119 PolarHBondContact O-N 3.36Å; D116-N119 VanDerWaalsContact O-N 3.17Å; E117-N119 PolarHBondContact O-N 3.49Å; N119-K122 PolarHBondContact O-N 3.22Å; N119-Q123 WeakPolarHBondContact O-CB 3.29Å; N119-Q123 PolarHBondContact O-N 2.93Å
120L81.1Confident68.8Low91 Ų9189.1 Ų89.148%0.47647%0.468SS..Hα-helixtrans-66.6-41.5179.2-174.462.2000111.4I75 D118 F124I75-L120 HydrophobicContact CD1-CG 4.47Å; D118-L120 PolarHBondContact O-N 2.99Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 PolarHBondContact O-N 3.39Å
121Q81.7Confident71.6Confident30 Ų3084.2 Ų84.214%0.1445%0.447CS..Hα-helixtrans-64.4-48.7175.2176.3166300111.5L71 S74 I75 D78 D118 Q123 F124 Q125L71-Q121 HydrophobicContact CD1-CB 3.64Å; S74-Q121 PolarHBondContact OG-NE2 2.91Å; S74-Q121 PolarHBondContact OG-OE1 3.49Å; I75-Q121 HydrophobicContact CG1-CB 4.34Å; I75-Q121 HydrophobicContact CG1-CG 4.46Å; D78-Q121 PolarHBondContact OD2-NE2 3.45Å; D118-Q121 PolarHBondContact O-N 2.79Å; Q121-Q123 VanDerWaalsContact C-N 3.3Å; Q121-Q123 PolarHBondContact O-N 2.89Å; Q121-F124 PolarHBondContact O-N 2.93Å; Q121-Q125 HydrophobicContact CG-CG 4.34Å; Q121-Q125 WeakPolarHBondContact O-CB 3.2Å; Q121-Q125 VanDerWaalsContact O-CG 3.29Å; Q121-Q125 WeakPolarHBondContact O-CG 3.29Å; Q121-Q125 PolarHBondContact O-N 3.11Å
122K84.1Confident74.1Confident91 Ų9183.5 Ų83.540%0.39644%0.435SS..Hα-helixtrans-58.5-43.4178.1-74167.2-173.2161.10111D118 N119 Q125 F126D118-K122 HydrophobicContact CB-CD 4.08Å; D118-K122 VanDerWaalsContact CB-NZ 3.29Å; D118-K122 VanDerWaalsContact O-CB 3.24Å; D118-K122 WeakPolarHBondContact O-CB 3.18Å; D118-K122 WeakPolarHBondContact O-CD 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.38Å; D118-K122 PolarHBondContact O-N 3.43Å; D118-K122 VanDerWaalsContact OD2-CE 3.25Å; D118-K122 WeakPolarHBondContact OD2-CE 3.33Å; D118-K122 IonicContact OD2-NZ 2.73Å; D118-K122 PolarHBondContact OD2-NZ 2.76Å; N119-K122 PolarHBondContact O-N 3.22Å; K122-Q125 PolarHBondContact O-N 3.29Å; K122-F126 WeakPolarHBondContact O-CB 3.39Å; K122-F126 PolarHBondContact O-N 3.49Å
123Q87.3Confident76.4Confident96 Ų9681.1 Ų81.145%0.44942%0.423SS..Hα-helixtrans-62.8-46.3176.7-176.1178.234.400111.6N119 Q121 Q125 F126 H127N119-Q123 WeakPolarHBondContact O-CB 3.29Å; N119-Q123 PolarHBondContact O-N 2.93Å; Q121-Q123 VanDerWaalsContact C-N 3.3Å; Q121-Q123 PolarHBondContact O-N 2.89Å; Q123-Q125 PolarHBondContact O-N 3.1Å; Q123-F126 PolarHBondContact O-N 3.01Å; Q123-H127 WeakPolarHBondContact CG-NE2 3.39Å; Q123-H127 PolarHBondContact O-CD2 3.28Å; Q123-H127 PolarHBondContact O-N 3.47Å
124F87.2Confident79.1Confident45 Ų4579.4 Ų79.420%0.19741%0.408CS..Hα-helixtrans-59.2-48.2176.8-179-96.5000111.6M18 I75 D78 I79 L120 Q121 F126 H127 M128M18-F124 HydrophobicContact CE-CE2 4.11Å; M18-F124 HydrophobicContact CE-CZ 3.76Å; I75-F124 HydrophobicContact CG2-CD1 3.97Å; I75-F124 HydrophobicContact CG2-CD2 4.45Å; I75-F124 HydrophobicContact CG2-CE1 4.07Å; I75-F124 HydrophobicContact CG2-CG 4.18Å; I75-F124 HydrophobicContact CG2-CZ 4.38Å; D78-F124 HydrophobicContact CB-CE1 4.25Å; I79-F124 HydrophobicContact CD1-CE1 4.39Å; I79-F124 HydrophobicContact CD1-CE2 4.46Å; I79-F124 HydrophobicContact CD1-CZ 3.81Å; I79-F124 HydrophobicContact CG1-CE1 3.75Å; I79-F124 HydrophobicContact CG1-CE2 4.47Å; I79-F124 HydrophobicContact CG1-CZ 3.41Å; I79-F124 VanDerWaalsContact CG1-CZ 3.41Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 PolarHBondContact O-N 3.39Å; Q121-F124 PolarHBondContact O-N 2.93Å; F124-F126 VanDerWaalsContact C-N 3.35Å; F124-F126 PolarHBondContact O-N 3.35Å; F124-H127 PolarHBondContact O-N 3.19Å; F124-M128 HydrophobicContact CD1-CG 4.1Å; F124-M128 HydrophobicContact CD2-CG 4.32Å; F124-M128 HydrophobicContact CE1-CG 3.55Å; F124-M128 HydrophobicContact CE2-CG 3.8Å; F124-M128 HydrophobicContact CE2-SD 4.28Å; F124-M128 HydrophobicContact CG-CG 4.43Å; F124-M128 HydrophobicContact CZ-CG 3.35Å; F124-M128 HydrophobicContact CZ-SD 4.03Å; F124-M128 WeakPolarHBondContact O-CB 3.47Å; F124-M128 WeakPolarHBondContact O-CG 3.26Å; F124-M128 PolarHBondContact O-N 2.85Å
125Q87.5Confident81.4Confident26 Ų2676.6 Ų76.612%0.12140%0.397CS..Hα-helixtrans-59.3-44.3177.9-73.8178-10.400112.2D78 V83 Q121 K122 Q123 M128 T129D78-Q125 WeakPolarHBondContact OD2-CG 3.32Å; D78-Q125 PolarHBondContact OD2-NE2 3.49Å; V83-Q125 HydrophobicContact CG1-CB 3.79Å; V83-Q125 HydrophobicContact CG1-CG 3.83Å; V83-Q125 HydrophobicContact CG2-CG 4.35Å; Q121-Q125 HydrophobicContact CG-CG 4.34Å; Q121-Q125 WeakPolarHBondContact O-CB 3.2Å; Q121-Q125 VanDerWaalsContact O-CG 3.29Å; Q121-Q125 WeakPolarHBondContact O-CG 3.29Å; Q121-Q125 PolarHBondContact O-N 3.11Å; K122-Q125 PolarHBondContact O-N 3.29Å; Q123-Q125 PolarHBondContact O-N 3.1Å; Q125-M128 PolarHBondContact O-N 3.34Å; Q125-T129 VanDerWaalsContact O-CB 3.31Å; Q125-T129 WeakPolarHBondContact O-CB 3.42Å; Q125-T129 PolarHBondContact O-N 3.07Å; Q125-T129 PolarHBondContact O-OG1 3.02Å
126F89.5Confident83.5Confident152 Ų15272.3 Ų72.367%0.66738%0.383SS*.Hα-helixtrans-59.2-51.3177176.4-98.5000111.5K122 Q123 F124 M128 T129 G130K122-F126 WeakPolarHBondContact O-CB 3.39Å; K122-F126 PolarHBondContact O-N 3.49Å; Q123-F126 PolarHBondContact O-N 3.01Å; F124-F126 VanDerWaalsContact C-N 3.35Å; F124-F126 PolarHBondContact O-N 3.35Å; F126-M128 PolarHBondContact O-N 3.09Å; F126-T129 PolarHBondContact O-N 3.43Å; F126-G130 PolarHBondContact O-N 2.98Å
127H91.4Very high85.8Confident104 Ų10474 Ų7448%0.48139%0.385SS..Hα-helixtrans-64.7-41.8-179.3-68.7-46.6000112.6Q123 F124 G130 L131Q123-H127 WeakPolarHBondContact CG-NE2 3.39Å; Q123-H127 PolarHBondContact O-CD2 3.28Å; Q123-H127 PolarHBondContact O-N 3.47Å; F124-H127 PolarHBondContact O-N 3.19Å; H127-G130 PolarHBondContact O-N 3.2Å; H127-L131 WeakPolarHBondContact O-CB 3.48Å; H127-L131 PolarHBondContact O-N 2.82Å
128M89.1Confident87.9Confident45 Ų4575.6 Ų75.622%0.22239%0.394CS..Hα-helixtrans-66.4-40.2179.1-76.1-52.4-57.500112.7M18 V83 F124 Q125 F126 L131 H132M18-M128 HydrophobicContact CE-CE 3.53Å; M18-M128 HydrophobicContact CE-CG 4.37Å; M18-M128 HydrophobicContact CE-SD 3.32Å; M18-M128 WeakPolarHBondContact CE-SD 3.36Å; V83-M128 HydrophobicContact CG2-CB 3.79Å; F124-M128 HydrophobicContact CD1-CG 4.1Å; F124-M128 HydrophobicContact CD2-CG 4.32Å; F124-M128 HydrophobicContact CE1-CG 3.55Å; F124-M128 HydrophobicContact CE2-CG 3.8Å; F124-M128 HydrophobicContact CE2-SD 4.28Å; F124-M128 HydrophobicContact CG-CG 4.43Å; F124-M128 HydrophobicContact CZ-CG 3.35Å; F124-M128 HydrophobicContact CZ-SD 4.03Å; F124-M128 WeakPolarHBondContact O-CB 3.47Å; F124-M128 WeakPolarHBondContact O-CG 3.26Å; F124-M128 PolarHBondContact O-N 2.85Å; Q125-M128 PolarHBondContact O-N 3.34Å; F126-M128 PolarHBondContact O-N 3.09Å; M128-L131 PolarHBondContact O-N 3.03Å; M128-H132 VanDerWaalsContact O-CB 3.3Å; M128-H132 WeakPolarHBondContact O-CB 3.34Å; M128-H132 PolarHBondContact O-N 3.24Å
129T89Confident89.6Confident56 Ų5676.9 Ų76.934%0.34440%0.404SS..Hα-helixtrans-64.9-43.1175.4-57.40000111V83 M84 Q125 F126 H132 G133V83-T129 WeakPolarHBondContact CG1-OG1 3.43Å; M84-T129 HydrophobicContact CE-CG2 4.32Å; Q125-T129 VanDerWaalsContact O-CB 3.31Å; Q125-T129 WeakPolarHBondContact O-CB 3.42Å; Q125-T129 PolarHBondContact O-N 3.07Å; Q125-T129 PolarHBondContact O-OG1 3.02Å; F126-T129 PolarHBondContact O-N 3.43Å; T129-H132 PolarHBondContact O-N 2.91Å; T129-G133 PolarHBondContact O-N 3.28Å
130G90.6Very high90.6Very high41 Ų4178 Ų7842%0.42341%0.407SS..Hα-helixtrans-60.2-48.617500000112.5F126 H127 H132 G133 V134F126-G130 PolarHBondContact O-N 2.98Å; H127-G130 PolarHBondContact O-N 3.2Å; G130-H132 PolarHBondContact O-N 3.37Å; G130-G133 PolarHBondContact O-N 2.88Å; G130-V134 WeakPolarHBondContact O-CG2 3.24Å; G130-V134 PolarHBondContact O-N 2.76Å
131L92Very high91.3Very high66 Ų6679.7 Ų79.735%0.34641%0.412SS..Hα-helixtrans-60.3-46.7177.7-177.359.9000111.6L14 H127 M128 G133 V134 L135L14-L131 HydrophobicContact CD2-CD2 3.6Å; H127-L131 WeakPolarHBondContact O-CB 3.48Å; H127-L131 PolarHBondContact O-N 2.82Å; M128-L131 PolarHBondContact O-N 3.03Å; L131-G133 VanDerWaalsContact C-N 3.31Å; L131-G133 PolarHBondContact O-N 3.43Å; L131-V134 PolarHBondContact O-N 3.42Å; L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.21Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 HydrophobicContact CG-CG 4.43Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 WeakPolarHBondContact O-CG 3.26Å; L131-L135 PolarHBondContact O-N 3.24Å
132H88.6Confident92.1Very high110 Ų11080.6 Ų80.651%0.50943%0.425SS..Hα-helixtrans-58-44.1175.9178.8-91.6000111.6M128 T129 G130 V134 L135 S136M128-H132 VanDerWaalsContact O-CB 3.3Å; M128-H132 WeakPolarHBondContact O-CB 3.34Å; M128-H132 PolarHBondContact O-N 3.24Å; T129-H132 PolarHBondContact O-N 2.91Å; G130-H132 PolarHBondContact O-N 3.37Å; H132-V134 PolarHBondContact O-N 3.12Å; H132-L135 PolarHBondContact O-N 2.91Å; H132-S136 WeakPolarHBondContact O-CB 3.14Å; H132-S136 PolarHBondContact O-N 3.41Å
133G91.1Very high92.7Very high30 Ų3080.5 Ų80.531%0.30943%0.429SS..Hα-helixtrans-61.1-43.8176.700000113.2T129 G130 L131 K137T129-G133 PolarHBondContact O-N 3.28Å; G130-G133 PolarHBondContact O-N 2.88Å; L131-G133 VanDerWaalsContact C-N 3.31Å; L131-G133 PolarHBondContact O-N 3.43Å; G133-K137 WeakPolarHBondContact O-CG 3.33Å; G133-K137 PolarHBondContact O-N 3.21Å
134V95.9Very high93.1Very high81 Ų8180 Ų8049%0.49143%0.432SS..Hα-helixtrans-65.1-48.8177.2172.80000111G130 L131 H132 S136 K137 L138G130-V134 WeakPolarHBondContact O-CG2 3.24Å; G130-V134 PolarHBondContact O-N 2.76Å; L131-V134 PolarHBondContact O-N 3.42Å; H132-V134 PolarHBondContact O-N 3.12Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.42Å; V134-K137 PolarHBondContact O-N 2.95Å; V134-L138 HydrophobicContact CG1-CD1 3.82Å; V134-L138 HydrophobicContact CG1-CG 4.31Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 3.17Å
135L94Very high93.6Very high91 Ų9183.9 Ų83.948%0.47645%0.454SS..Hα-helixtrans-61-38.7179.2-70.9175.2000112.1L131 H132 L138 T139L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.21Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 HydrophobicContact CG-CG 4.43Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 WeakPolarHBondContact O-CG 3.26Å; L131-L135 PolarHBondContact O-N 3.24Å; H132-L135 PolarHBondContact O-N 2.91Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-T139 VanDerWaalsContact O-CB 3.29Å; L135-T139 WeakPolarHBondContact O-CB 3.22Å; L135-T139 PolarHBondContact O-N 3.12Å; L135-T139 PolarHBondContact O-OG1 3.18Å
136S94.3Very high94Very high50 Ų5085.9 Ų85.935%0.3547%0.468SS..Hα-helixtrans-60.5-47.7175.3-177.50000111.8H132 V134 T139 Q140H132-S136 WeakPolarHBondContact O-CB 3.14Å; H132-S136 PolarHBondContact O-N 3.41Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.42Å; S136-T139 PolarHBondContact O-N 3.03Å; S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.5Å
137K96.6Very high94.2Very high145 Ų14582.7 Ų82.763%0.6346%0.458SS*.Hα-helixtrans-62.1-46.6176.9-70.8177.8-177.5178.60112.1G133 V134 T139 Q140 Q141G133-K137 WeakPolarHBondContact O-CG 3.33Å; G133-K137 PolarHBondContact O-N 3.21Å; V134-K137 PolarHBondContact O-N 2.95Å; K137-T139 VanDerWaalsContact C-N 3.3Å; K137-T139 PolarHBondContact O-N 3.39Å; K137-Q140 PolarHBondContact O-N 3.36Å; K137-Q141 WeakPolarHBondContact O-CG 3.48Å; K137-Q141 PolarHBondContact O-N 3.11Å
138L97.5Very high94.3Very high92 Ų9284.9 Ų84.948%0.48246%0.462SS..Hα-helixtrans-61.9-39.8178.4-70.3174.3000111.6V134 L135 Q141 A142V134-L138 HydrophobicContact CG1-CD1 3.82Å; V134-L138 HydrophobicContact CG1-CG 4.31Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 3.17Å; L135-L138 PolarHBondContact O-N 2.84Å; L138-Q141 PolarHBondContact O-N 3.1Å; L138-A142 WeakPolarHBondContact O-CB 3.35Å; L138-A142 PolarHBondContact O-N 3.31Å
139T96.1Very high94.6Very high78 Ų7889.9 Ų89.948%0.47948%0.48SS..Hα-helixtrans-63.1-43.8176.4-58.80000111.3L135 S136 K137 Q141 A142 N143L135-T139 VanDerWaalsContact O-CB 3.29Å; L135-T139 WeakPolarHBondContact O-CB 3.22Å; L135-T139 PolarHBondContact O-N 3.12Å; L135-T139 PolarHBondContact O-OG1 3.18Å; S136-T139 PolarHBondContact O-N 3.03Å; K137-T139 VanDerWaalsContact C-N 3.3Å; K137-T139 PolarHBondContact O-N 3.39Å; T139-Q141 PolarHBondContact O-N 3.03Å; T139-A142 PolarHBondContact O-N 3.19Å; T139-N143 WeakPolarHBondContact O-CB 3.47Å; T139-N143 VanDerWaalsContact O-CG 3.26Å; T139-N143 PolarHBondContact O-N 3.38Å; T139-N143 PolarHBondContact O-ND2 2.67Å
140Q97.2Very high94.7Very high119 Ų11991.8 Ų91.856%0.55648%0.483SS*.Hα-helixtrans-62.6-41.9175.1-70.1175.31700112.3S136 K137 N143 T144S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.5Å; K137-Q140 PolarHBondContact O-N 3.36Å; Q140-N143 PolarHBondContact O-N 3.27Å; Q140-T144 WeakPolarHBondContact O-CB 3.49Å; Q140-T144 PolarHBondContact O-N 3.37Å; Q140-T144 PolarHBondContact O-OG1 3.33Å
141Q97.6Very high94.7Very high125 Ų12595.3 Ų95.358%0.58449%0.489SS*.Hα-helixtrans-62.6-45.8176.3-73.3179.5-28.100111.5K137 L138 T139 N143 T144 L145K137-Q141 WeakPolarHBondContact O-CG 3.48Å; K137-Q141 PolarHBondContact O-N 3.11Å; L138-Q141 PolarHBondContact O-N 3.1Å; T139-Q141 PolarHBondContact O-N 3.03Å; Q141-N143 PolarHBondContact O-N 3.06Å; Q141-T144 PolarHBondContact O-N 3.04Å; Q141-L145 WeakPolarHBondContact O-CB 3.27Å; Q141-L145 PolarHBondContact O-N 2.62Å
142A97.9Very high94.6Very high50 Ų5099.4 Ų99.441%0.41351%0.506SS..Hα-helixtrans-61.5-41.917700000112.3L138 T139 L145 T146L138-A142 WeakPolarHBondContact O-CB 3.35Å; L138-A142 PolarHBondContact O-N 3.31Å; T139-A142 PolarHBondContact O-N 3.19Å; A142-L145 PolarHBondContact O-N 2.9Å; A142-T146 WeakPolarHBondContact O-CB 3.23Å; A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.43Å
143N96.3Very high94.7Very high89 Ų8997.6 Ų97.648%0.47650%0.5SS..Hα-helixtrans-64.8-42.3175.5-72.8-27.5000111.8T139 Q140 Q141 T146 N147T139-N143 WeakPolarHBondContact O-CB 3.47Å; T139-N143 VanDerWaalsContact O-CG 3.26Å; T139-N143 PolarHBondContact O-N 3.38Å; T139-N143 PolarHBondContact O-ND2 2.67Å; Q140-N143 PolarHBondContact O-N 3.27Å; Q141-N143 PolarHBondContact O-N 3.06Å; N143-T146 PolarHBondContact O-N 2.76Å; N143-N147 WeakPolarHBondContact O-CB 3.28Å; N143-N147 PolarHBondContact O-N 3.31Å; N143-N147 PolarHBondContact O-ND2 3.05Å
144T96.7Very high94Very high84 Ų8498.8 Ų98.852%0.51551%0.512SS..Hα-helixtrans-61.5-45.8176.9-58.30000111Q140 Q141 T146 N147 R148Q140-T144 WeakPolarHBondContact O-CB 3.49Å; Q140-T144 PolarHBondContact O-N 3.37Å; Q140-T144 PolarHBondContact O-OG1 3.33Å; Q141-T144 PolarHBondContact O-N 3.04Å; T144-T146 PolarHBondContact O-N 3.48Å; T144-N147 PolarHBondContact O-N 3.49Å; T144-R148 WeakPolarHBondContact O-CB 3.2Å; T144-R148 WeakPolarHBondContact O-CG 3.49Å; T144-R148 PolarHBondContact O-N 3.32Å
145L96.6Very high92.6Very high127 Ų12799.8 Ų99.867%0.66551%0.513SS*.Hα-helixtrans-59.6-46.6176.1-179.766.1000111.5Q141 A142 N147 R148 Y149Q141-L145 WeakPolarHBondContact O-CB 3.27Å; Q141-L145 PolarHBondContact O-N 2.62Å; A142-L145 PolarHBondContact O-N 2.9Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 2.96Å; L145-R148 PolarHBondContact O-N 3.23Å; L145-Y149 PolarHBondContact O-N 2.71Å
146T95.6Very high91Very high68 Ų6897.6 Ų97.642%0.41751%0.512SS..Hα-helixtrans-60.8-43.1178.1-58.10000111.4A142 N143 T144 Y149 K150A142-T146 WeakPolarHBondContact O-CB 3.23Å; A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.43Å; N143-T146 PolarHBondContact O-N 2.76Å; T144-T146 PolarHBondContact O-N 3.48Å; T146-Y149 PolarHBondContact O-N 2.73Å; T146-K150 WeakPolarHBondContact O-CG 3.35Å; T146-K150 PolarHBondContact O-N 3.06Å
147N94Very high89Confident85 Ų85100.5 Ų100.546%0.45553%0.531SS..Hα-helixtrans-67.8-41.5178.7-71.3-20.1000112.1N143 T144 L145 Y149 K150 Q151N143-N147 WeakPolarHBondContact O-CB 3.28Å; N143-N147 PolarHBondContact O-N 3.31Å; N143-N147 PolarHBondContact O-ND2 3.05Å; T144-N147 PolarHBondContact O-N 3.49Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 2.96Å; N147-Y149 VanDerWaalsContact C-N 3.35Å; N147-K150 PolarHBondContact O-N 3.37Å; N147-Q151 WeakPolarHBondContact O-CG 3.25Å; N147-Q151 PolarHBondContact O-N 2.96Å
148R93.5Very high86.6Confident150 Ų150106.5 Ų106.557%0.56655%0.552SS**Hα-helixtrans-58.7-47.7173.1-77.8-63.2-148.5164.27.2111.2T144 L145 K150 Q151 E152T144-R148 WeakPolarHBondContact O-CB 3.2Å; T144-R148 WeakPolarHBondContact O-CG 3.49Å; T144-R148 PolarHBondContact O-N 3.32Å; L145-R148 PolarHBondContact O-N 3.23Å; R148-K150 VanDerWaalsContact C-N 3.34Å; R148-K150 PolarHBondContact O-N 3.3Å; R148-Q151 WeakPolarHBondContact O-CB 3.47Å; R148-Q151 PolarHBondContact O-N 3.02Å; R148-Q151 VanDerWaalsContact O-N 3.12Å; R148-E152 WeakPolarHBondContact O-CG 3.26Å; R148-E152 PolarHBondContact O-N 3.38Å
149Y94.6Very high86.1Confident151 Ų151107.2 Ų107.259%0.59256%0.555SS**Hα-helixtrans-58.6-45.2177-179.6-108.5000112.1L145 T146 N147 Q151 E152 I153L145-Y149 PolarHBondContact O-N 2.71Å; T146-Y149 PolarHBondContact O-N 2.73Å; N147-Y149 VanDerWaalsContact C-N 3.35Å; Y149-Q151 VanDerWaalsContact C-N 3.27Å; Y149-Q151 PolarHBondContact O-N 3.25Å; Y149-E152 PolarHBondContact O-N 3.48Å; Y149-I153 HydrophobicContact CD1-CD1 3.91Å; Y149-I153 HydrophobicContact CD2-CG2 4.35Å; Y149-I153 HydrophobicContact CE1-CD1 3.54Å; Y149-I153 HydrophobicContact CE1-CG2 4.28Å; Y149-I153 HydrophobicContact CE2-CG2 3.81Å; Y149-I153 WeakPolarHBondContact O-CG1 3.48Å; Y149-I153 PolarHBondContact O-N 3.01Å; Y149-I153 VanDerWaalsContact O-N 3.11Å
150K92.5Very high85.6Confident96 Ų96108.7 Ų108.742%0.41756%0.559SS.*Hα-helixtrans-58.4-36.1175.5-74.4176.2178.2-178.30113.4T146 N147 R148 G154 I155 G156T146-K150 WeakPolarHBondContact O-CG 3.35Å; T146-K150 PolarHBondContact O-N 3.06Å; N147-K150 PolarHBondContact O-N 3.37Å; R148-K150 VanDerWaalsContact C-N 3.34Å; R148-K150 PolarHBondContact O-N 3.3Å; K150-G154 PolarHBondContact O-N 3.11Å; K150-I155 PolarHBondContact O-N 3.17Å; K150-G156 PolarHBondContact O-N 3Å
151Q90.5Very high84.9Confident115 Ų115108.2 Ų108.254%0.53756%0.56SS.*Hα-helixtrans-67.7-45.5175.5-70.6168.5-6.500111.4N147 R148 Y149 I153 G154N147-Q151 WeakPolarHBondContact O-CG 3.25Å; N147-Q151 PolarHBondContact O-N 2.96Å; R148-Q151 WeakPolarHBondContact O-CB 3.47Å; R148-Q151 PolarHBondContact O-N 3.02Å; R148-Q151 VanDerWaalsContact O-N 3.12Å; Y149-Q151 VanDerWaalsContact C-N 3.27Å; Y149-Q151 PolarHBondContact O-N 3.25Å; Q151-I153 VanDerWaalsContact C-N 3.33Å; Q151-I153 PolarHBondContact O-N 3.42Å; Q151-G154 PolarHBondContact O-N 3.01Å; Q151-G154 VanDerWaalsContact O-N 3.14Å
152E90.1Very high84.2Confident152 Ų152107.2 Ų107.271%0.7156%0.558SS**Hα-helixtrans-63.2-36.1-179.5-66-59.9152.500112.9R148 Y149 G154R148-E152 WeakPolarHBondContact O-CG 3.26Å; R148-E152 PolarHBondContact O-N 3.38Å; Y149-E152 PolarHBondContact O-N 3.48Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.39Å
153I91.1Very high83.3Confident72 Ų72110.8 Ų110.837%0.36957%0.567SS.*THydrogen-bonded Turntrans-87.14.2178.167.5-175.2000113.6Y149 Q151 I155Y149-I153 HydrophobicContact CD1-CD1 3.91Å; Y149-I153 HydrophobicContact CD2-CG2 4.35Å; Y149-I153 HydrophobicContact CE1-CD1 3.54Å; Y149-I153 HydrophobicContact CE1-CG2 4.28Å; Y149-I153 HydrophobicContact CE2-CG2 3.81Å; Y149-I153 WeakPolarHBondContact O-CG1 3.48Å; Y149-I153 PolarHBondContact O-N 3.01Å; Y149-I153 VanDerWaalsContact O-N 3.11Å; Q151-I153 VanDerWaalsContact C-N 3.33Å; Q151-I153 PolarHBondContact O-N 3.42Å; I153-I155 VanDerWaalsContact C-N 3.26Å; I153-I155 HydrophobicContact CD1-CB 4.29Å; I153-I155 HydrophobicContact CD1-CD1 3.49Å; I153-I155 VanDerWaalsContact CD1-CD1 3.49Å; I153-I155 HydrophobicContact CD1-CG1 4.03Å; I153-I155 HydrophobicContact CG1-CB 4.03Å; I153-I155 HydrophobicContact CG1-CD1 3.84Å; I153-I155 HydrophobicContact CG1-CG1 3.81Å; I153-I155 PolarHBondContact O-N 2.89Å
154G74.4Confident82.5Confident55 Ų55112.2 Ų112.257%0.56757%0.573SS**THydrogen-bonded Turntrans70.314.7176.800000115.4K150 Q151 E152 G156K150-G154 PolarHBondContact O-N 3.11Å; Q151-G154 PolarHBondContact O-N 3.01Å; Q151-G154 VanDerWaalsContact O-N 3.14Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.39Å; G154-G156 VanDerWaalsContact C-N 3.34Å
155I67.3Low81.4Confident102 Ų102114.2 Ų114.252%0.52358%0.578SS.*  trans-88.2-6.1177.8-62.6177.9000111.3K150 I153 C157K150-I155 PolarHBondContact O-N 3.17Å; I153-I155 VanDerWaalsContact C-N 3.26Å; I153-I155 HydrophobicContact CD1-CB 4.29Å; I153-I155 HydrophobicContact CD1-CD1 3.49Å; I153-I155 VanDerWaalsContact CD1-CD1 3.49Å; I153-I155 HydrophobicContact CD1-CG1 4.03Å; I153-I155 HydrophobicContact CG1-CB 4.03Å; I153-I155 HydrophobicContact CG1-CD1 3.84Å; I153-I155 HydrophobicContact CG1-CG1 3.81Å; I153-I155 PolarHBondContact O-N 2.89Å; I155-C157 PolarHBondContact O-N 3.03Å
156G59.7Low80.3Confident44 Ų44113.2 Ų113.245%0.45457%0.571SS.*  trans-87.911.7-173.700000117.9K150 G154K150-G156 PolarHBondContact O-N 3Å; G154-G156 VanDerWaalsContact C-N 3.34Å
157C52.5Low79Confident111 Ų111117 Ų11775%0.7558%0.584SS**  trans-12977-177.8-76.70000113.2I155I155-C157 PolarHBondContact O-N 3.03Å
158Y48Very low77.6Confident271 Ų271119.9 Ų119.9100%1.06360%0.595SS**  trans-158.70143.76.5-99.1000109.7

Retrieved 158 of 158 residues in 157.7 ms (Link to these results)