A0A5K4F558_SCHMA Loading...

Conserved oligomeric Golgi complex subunit 4

AlphaFold DB , UniProt , Accession A0A5K4F558, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 407 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
1M70.7Confident77.6Confident159 Ų15973.3 Ų73.378%0.78339%0.386SS*.  0-63.50-147.2-176.5-167.100114.4E4 K5M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 2.74Å; M1-K5 WeakPolarHBondContact O-CG 3.32Å; M1-K5 PolarHBondContact O-N 3.48Å; M1-K5 VanDerWaalsContact O-N 3.13Å
2A72.9Confident77.9Confident26 Ų2678.3 Ų78.322%0.21540%0.403CS..Hα-helixtrans-66.3-43.8-17800000113K5 F6A2-K5 PolarHBondContact O-N 2.7Å; A2-F6 PolarHBondContact O-N 3.27Å
3V75.8Confident77.9Confident51 Ų5184.5 Ų84.531%0.30942%0.418SS..Hα-helixtrans-54.4-52.5173155.40000112.5K5 F6 D7 F25 R37V3-K5 VanDerWaalsContact C-N 3.33Å; V3-K5 PolarHBondContact O-N 2.85Å; V3-F6 VanDerWaalsContact O-CB 3.28Å; V3-F6 WeakPolarHBondContact O-CB 3.35Å; V3-F6 PolarHBondContact O-N 3.18Å; V3-F6 VanDerWaalsContact O-N 3.08Å; V3-D7 PolarHBondContact O-N 3.43Å; V3-F25 HydrophobicContact CG2-CE1 4.35Å; V3-F25 HydrophobicContact CG2-CZ 4.23Å; V3-R37 VanDerWaalsContact CG1-CZ 3.45Å; V3-R37 PolarHBondContact O-NH1 2.99Å
4E77.8Confident78.3Confident135 Ų13582.2 Ų82.263%0.63141%0.408SS*.Hα-helixtrans-64.9-38.5-178.2-64.9152.8148.100111.8M1 F6 D7 E8M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 2.74Å; E4-F6 VanDerWaalsContact C-N 3.28Å; E4-F6 PolarHBondContact O-N 3.24Å; E4-D7 PolarHBondContact O-N 3.31Å; E4-E8 PolarHBondContact O-N 3.48Å
5K78.9Confident78.7Confident82 Ų8284.3 Ų84.336%0.35742%0.416SS..Hα-helixtrans-63.3-34.6173.5-75.9-175.2176.7-174.60112.1M1 A2 V3 E8 Y9 L21M1-K5 WeakPolarHBondContact O-CG 3.32Å; M1-K5 PolarHBondContact O-N 3.48Å; M1-K5 VanDerWaalsContact O-N 3.13Å; A2-K5 PolarHBondContact O-N 2.7Å; V3-K5 VanDerWaalsContact C-N 3.33Å; V3-K5 PolarHBondContact O-N 2.85Å; K5-E8 PolarHBondContact O-N 2.88Å; K5-Y9 HydrophobicContact CB-CE2 4.04Å; K5-Y9 WeakPolarHBondContact O-CD2 3.35Å; K5-Y9 VanDerWaalsContact O-CG 3.26Å; K5-Y9 PolarHBondContact O-N 3.12Å; K5-L21 HydrophobicContact CB-CD1 4.48Å
6F77.2Confident79.1Confident4 Ų490.3 Ų90.32%0.01844%0.439CS..Hα-helixtrans-61.3-50.2175.1-164.9-83.8000110.9A2 V3 E4 E8 Y9 V10 I18 L21 F25 R37A2-F6 PolarHBondContact O-N 3.27Å; V3-F6 VanDerWaalsContact O-CB 3.28Å; V3-F6 WeakPolarHBondContact O-CB 3.35Å; V3-F6 PolarHBondContact O-N 3.18Å; V3-F6 VanDerWaalsContact O-N 3.08Å; E4-F6 VanDerWaalsContact C-N 3.28Å; E4-F6 PolarHBondContact O-N 3.24Å; F6-E8 VanDerWaalsContact C-N 3.25Å; F6-E8 PolarHBondContact O-N 2.83Å; F6-Y9 PolarHBondContact O-N 3.03Å; F6-Y9 VanDerWaalsContact O-N 3.16Å; F6-V10 HydrophobicContact CD1-CG2 3.56Å; F6-V10 HydrophobicContact CE1-CG2 3.23Å; F6-V10 HydrophobicContact CZ-CG2 4Å; F6-V10 WeakPolarHBondContact O-CB 3.44Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.4Å; F6-V10 PolarHBondContact O-N 2.84Å; F6-I18 HydrophobicContact CE2-CG2 3.9Å; F6-I18 HydrophobicContact CZ-CG2 3.84Å; F6-L21 HydrophobicContact CB-CD1 3.61Å; F6-L21 HydrophobicContact CD2-CB 3.8Å; F6-L21 HydrophobicContact CD2-CD1 3.53Å; F6-L21 HydrophobicContact CD2-CG 4.35Å; F6-L21 HydrophobicContact CE2-CB 4.31Å; F6-L21 HydrophobicContact CG-CD1 3.96Å; F6-F25 AromaticContact CD2-CE2 4Å; F6-F25 HydrophobicContact CD2-CE2 4Å; F6-R37 HydrophobicContact CD1-CB 3.82Å; F6-R37 HydrophobicContact CD1-CG 4.33Å; F6-R37 HydrophobicContact CD2-CB 4.31Å; F6-R37 HydrophobicContact CE1-CB 3.55Å; F6-R37 HydrophobicContact CE1-CG 4.47Å; F6-R37 VanDerWaalsContact CE1-O 3.31Å; F6-R37 WeakPolarHBondContact CE1-O 3.39Å; F6-R37 HydrophobicContact CE2-CB 4.09Å; F6-R37 HydrophobicContact CG-CB 4.21Å; F6-R37 VanDerWaalsContact CZ-C 3.41Å; F6-R37 HydrophobicContact CZ-CB 3.73Å; F6-R37 WeakPolarHBondContact CZ-O 3.47Å
7D77.6Confident79.4Confident77 Ų7788 Ų8841%0.41243%0.429SS..Hα-helixtrans-64.6-34-178.6-61.9-30.2000111.3V3 E4 S11 R37V3-D7 PolarHBondContact O-N 3.43Å; E4-D7 PolarHBondContact O-N 3.31Å; D7-S11 WeakPolarHBondContact O-CB 3.33Å; D7-S11 PolarHBondContact O-N 3.28Å; D7-S11 PolarHBondContact O-OG 3.08Å; D7-R37 IonicContact OD1-NH1 3.29Å; D7-R37 PolarHBondContact OD1-NH1 3.01Å; D7-R37 IonicContact OD2-CZ 2.7Å; D7-R37 IonicContact OD2-NH1 2.77Å; D7-R37 PolarHBondContact OD2-NH1 2.9Å
8E82.5Confident79.8Confident86 Ų8683.1 Ų83.140%0.40241%0.405SS..Hα-helixtrans-63.6-48.7171.3-169.2-170.4162.400112.5E4 K5 F6 S11 K12E4-E8 PolarHBondContact O-N 3.48Å; K5-E8 PolarHBondContact O-N 2.88Å; F6-E8 VanDerWaalsContact C-N 3.25Å; F6-E8 PolarHBondContact O-N 2.83Å; E8-S11 WeakPolarHBondContact O-CB 3.12Å; E8-S11 PolarHBondContact O-N 2.98Å; E8-K12 HydrophobicContact CG-CD 4.36Å; E8-K12 WeakPolarHBondContact O-CG 3.34Å; E8-K12 PolarHBondContact O-N 3.36Å; E8-K12 IonicContact OE1-NZ 3.6Å; E8-K12 PolarHBondContact OE1-NZ 3.08Å
9Y83.3Confident80.1Confident47 Ų4779.7 Ų79.718%0.18439%0.39CS..Hα-helixtrans-69.6-34.6-179.5-63.3-40.7000112.8K5 F6 S11 K12 R13 D14 N17 L21K5-Y9 HydrophobicContact CB-CE2 4.04Å; K5-Y9 WeakPolarHBondContact O-CD2 3.35Å; K5-Y9 VanDerWaalsContact O-CG 3.26Å; K5-Y9 PolarHBondContact O-N 3.12Å; F6-Y9 PolarHBondContact O-N 3.03Å; F6-Y9 VanDerWaalsContact O-N 3.16Å; Y9-S11 VanDerWaalsContact C-N 3.33Å; Y9-K12 CarbonylContact O-C 3.48Å; Y9-K12 PolarHBondContact O-N 2.94Å; Y9-R13 PolarHBondContact O-N 3.3Å; Y9-D14 HydrophobicContact CD1-CB 4.47Å; Y9-D14 PolarHBondContact O-N 3.32Å; Y9-N17 HydrophobicContact CD1-CB 3.82Å; Y9-N17 HydrophobicContact CD2-CB 3.56Å; Y9-N17 HydrophobicContact CE1-CB 3.99Å; Y9-N17 HydrophobicContact CE2-CB 3.75Å; Y9-N17 HydrophobicContact CG-CB 3.63Å; Y9-L21 HydrophobicContact CD2-CD1 3.45Å; Y9-L21 VanDerWaalsContact CD2-CD1 3.45Å; Y9-L21 HydrophobicContact CD2-CG 4.11Å; Y9-L21 HydrophobicContact CE2-CD1 3.9Å; Y9-L21 HydrophobicContact CE2-CG 4.22Å
10V78.7Confident80.4Confident37 Ų3782.3 Ų82.322%0.22440%0.396CS..Hα-helixtrans-60.2-45.7170.4168.60000110.7F6 K12 R13 I18 Y41F6-V10 HydrophobicContact CD1-CG2 3.56Å; F6-V10 HydrophobicContact CE1-CG2 3.23Å; F6-V10 HydrophobicContact CZ-CG2 4Å; F6-V10 WeakPolarHBondContact O-CB 3.44Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.4Å; F6-V10 PolarHBondContact O-N 2.84Å; V10-K12 PolarHBondContact O-N 3.21Å; V10-R13 PolarHBondContact O-N 2.88Å; V10-R13 VanDerWaalsContact O-N 3.08Å; V10-I18 HydrophobicContact CG2-CD1 4.12Å; V10-I18 HydrophobicContact CG2-CG1 4.32Å; V10-Y41 HydrophobicContact CG1-CD2 4.23Å; V10-Y41 HydrophobicContact CG2-CD2 4.13Å; V10-Y41 HydrophobicContact CG2-CG 4.29Å
11S77.9Confident80.5Confident102 Ų10278.6 Ų78.671%0.71338%0.378SS*.Hα-helixtrans-61.5-34177-58.70000112.2D7 E8 Y9D7-S11 WeakPolarHBondContact O-CB 3.33Å; D7-S11 PolarHBondContact O-N 3.28Å; D7-S11 PolarHBondContact O-OG 3.08Å; E8-S11 WeakPolarHBondContact O-CB 3.12Å; E8-S11 PolarHBondContact O-N 2.98Å; Y9-S11 VanDerWaalsContact C-N 3.33Å
12K82Confident81.3Confident134 Ų13471 Ų7158%0.58334%0.341SS*.Hα-helixtrans-85.4-4.9176.9-69.5175176.91750114.4E8 Y9 V10 D14E8-K12 HydrophobicContact CG-CD 4.36Å; E8-K12 WeakPolarHBondContact O-CG 3.34Å; E8-K12 PolarHBondContact O-N 3.36Å; E8-K12 IonicContact OE1-NZ 3.6Å; E8-K12 PolarHBondContact OE1-NZ 3.08Å; Y9-K12 CarbonylContact O-C 3.48Å; Y9-K12 PolarHBondContact O-N 2.94Å; V10-K12 PolarHBondContact O-N 3.21Å; K12-D14 HydrophobicContact CB-CB 4.49Å; K12-D14 PolarHBondContact O-N 3.29Å
13R77.6Confident82Confident159 Ų15974 Ų7460%0.635%0.349SS*.THydrogen-bonded Turntrans5138.2-171.4-59.4-174.5177.5-168.5-1.3113.3Y9 V10 E15Y9-R13 PolarHBondContact O-N 3.3Å; V10-R13 PolarHBondContact O-N 2.88Å; V10-R13 VanDerWaalsContact O-N 3.08Å; R13-E15 PolarHBondContact O-N 2.95Å; R13-E15 VanDerWaalsContact O-N 3.1Å
14D83.2Confident82.6Confident52 Ų5273.7 Ų73.728%0.27835%0.345SS..  trans-85.283.6-179.6-168.7-25000110.6Y9 K12 K16 N17 I18Y9-D14 HydrophobicContact CD1-CB 4.47Å; Y9-D14 PolarHBondContact O-N 3.32Å; K12-D14 HydrophobicContact CB-CB 4.49Å; K12-D14 PolarHBondContact O-N 3.29Å; D14-K16 PolarHBondContact O-N 3.32Å; D14-K16 PolarHBondContact OD1-N 3.26Å; D14-N17 HydrophobicContact CB-CB 4.23Å; D14-N17 VanDerWaalsContact CG-ND2 3.32Å; D14-N17 PolarHBondContact O-N 3.49Å; D14-N17 VanDerWaalsContact O-N 3.14Å; D14-N17 PolarHBondContact OD1-N 3Å; D14-N17 PolarHBondContact OD2-ND2 3.11Å; D14-I18 VanDerWaalsContact O-CG1 3.25Å; D14-I18 WeakPolarHBondContact O-CG1 3.38Å; D14-I18 PolarHBondContact O-N 2.79Å
15E84.2Confident83Confident114 Ų11467.2 Ų67.253%0.53332%0.315SS..Hα-helixtrans-50.4-43-178.1-76.4174.7-167.400112.8R13 N17 I18 V19 Y41R13-E15 PolarHBondContact O-N 2.95Å; R13-E15 VanDerWaalsContact O-N 3.1Å; E15-N17 PolarHBondContact O-N 3.47Å; E15-I18 PolarHBondContact O-N 2.96Å; E15-V19 WeakPolarHBondContact O-CB 3.46Å; E15-V19 VanDerWaalsContact O-CG2 3.31Å; E15-V19 WeakPolarHBondContact O-CG2 3.49Å; E15-V19 PolarHBondContact O-N 3.09Å; E15-Y41 VanDerWaalsContact CG-OH 3.23Å; E15-Y41 WeakPolarHBondContact CG-OH 3.27Å
16K85.7Confident83.3Confident180 Ų18067.5 Ų67.578%0.78332%0.317SS*.Hα-helixtrans-62.4-46.2-178-67.5-177.7-179.5178.10111.1D14 Y20D14-K16 PolarHBondContact O-N 3.32Å; D14-K16 PolarHBondContact OD1-N 3.26Å; K16-Y20 WeakPolarHBondContact O-CB 3.34Å; K16-Y20 PolarHBondContact O-N 3.4Å
17N84.6Confident83.8Confident51 Ų5173.3 Ų73.327%0.27335%0.347SS..Hα-helixtrans-74.2-31.1-179.4-78.3-37.3000112.6Y9 D14 E15 Y20 L21Y9-N17 HydrophobicContact CD1-CB 3.82Å; Y9-N17 HydrophobicContact CD2-CB 3.56Å; Y9-N17 HydrophobicContact CE1-CB 3.99Å; Y9-N17 HydrophobicContact CE2-CB 3.75Å; Y9-N17 HydrophobicContact CG-CB 3.63Å; D14-N17 HydrophobicContact CB-CB 4.23Å; D14-N17 VanDerWaalsContact CG-ND2 3.32Å; D14-N17 PolarHBondContact O-N 3.49Å; D14-N17 VanDerWaalsContact O-N 3.14Å; D14-N17 PolarHBondContact OD1-N 3Å; D14-N17 PolarHBondContact OD2-ND2 3.11Å; E15-N17 PolarHBondContact O-N 3.47Å; N17-Y20 PolarHBondContact O-N 2.61Å; N17-L21 WeakPolarHBondContact O-CG 3.4Å; N17-L21 PolarHBondContact O-N 3.26Å
18I85.5Confident84.4Confident0 Ų074.7 Ų74.70%035%0.354CS..Hα-helixtrans-63.8-48172.7-68165.4000110.6F6 V10 D14 E15 Y20 L21 L22 F38 Y41F6-I18 HydrophobicContact CE2-CG2 3.9Å; F6-I18 HydrophobicContact CZ-CG2 3.84Å; V10-I18 HydrophobicContact CG2-CD1 4.12Å; V10-I18 HydrophobicContact CG2-CG1 4.32Å; D14-I18 VanDerWaalsContact O-CG1 3.25Å; D14-I18 WeakPolarHBondContact O-CG1 3.38Å; D14-I18 PolarHBondContact O-N 2.79Å; E15-I18 PolarHBondContact O-N 2.96Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 3.04Å; I18-L21 PolarHBondContact O-N 3.25Å; I18-L22 PolarHBondContact O-N 3.27Å; I18-L22 VanDerWaalsContact O-N 3.14Å; I18-F38 HydrophobicContact CG2-CD2 3.68Å; I18-F38 HydrophobicContact CG2-CE2 3.91Å; I18-Y41 HydrophobicContact CD1-CD1 4.17Å; I18-Y41 HydrophobicContact CD1-CD2 3.66Å; I18-Y41 HydrophobicContact CD1-CE1 4.05Å; I18-Y41 HydrophobicContact CD1-CE2 3.53Å; I18-Y41 HydrophobicContact CD1-CG 3.98Å; I18-Y41 HydrophobicContact CG2-CD1 3.87Å; I18-Y41 HydrophobicContact CG2-CE1 4.24Å; I18-Y41 HydrophobicContact CG2-CG 4.27Å
19V85.9Confident84.6Confident18 Ų1873.6 Ų73.611%0.10937%0.366CS..Hα-helixtrans-63.6-39.1176.4172.60000110.9E15 L21 L22 K23 F38 H89 Y93E15-V19 WeakPolarHBondContact O-CB 3.46Å; E15-V19 VanDerWaalsContact O-CG2 3.31Å; E15-V19 WeakPolarHBondContact O-CG2 3.49Å; E15-V19 PolarHBondContact O-N 3.09Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 3.24Å; V19-L22 WeakPolarHBondContact O-CB 3.17Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-K23 PolarHBondContact O-N 3.44Å; V19-F38 HydrophobicContact CG2-CE2 4.26Å; V19-H89 HydrophobicContact CG1-CB 4.2Å; V19-Y93 HydrophobicContact CG1-CD2 4.29Å; V19-Y93 HydrophobicContact CG1-CE2 3.51Å
20Y86.1Confident84.9Confident132 Ų13276 Ų7652%0.51838%0.379SS..Hα-helixtrans-62.9-37.4174.4-179.4-112.6000112.6K16 N17 I18 L22 K23 I24K16-Y20 WeakPolarHBondContact O-CB 3.34Å; K16-Y20 PolarHBondContact O-N 3.4Å; N17-Y20 PolarHBondContact O-N 2.61Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 3.04Å; Y20-L22 VanDerWaalsContact C-N 3.33Å; Y20-L22 PolarHBondContact O-N 3.04Å; Y20-K23 WeakPolarHBondContact O-CB 3.24Å; Y20-K23 PolarHBondContact O-N 2.97Å; Y20-I24 HydrophobicContact CD1-CD1 3.67Å; Y20-I24 HydrophobicContact CD1-CG1 4.47Å; Y20-I24 HydrophobicContact CE1-CD1 3.25Å; Y20-I24 HydrophobicContact CE1-CG1 4.1Å; Y20-I24 PolarHBondContact O-N 3.13Å; Y20-I24 VanDerWaalsContact O-N 3.1Å
21L83.6Confident85.4Confident4 Ų475.6 Ų75.62%0.02138%0.377CS..Hα-helixtrans-66.7-33.2175-76.9177.9000112.8K5 F6 Y9 N17 I18 V19 K23 I24 F25K5-L21 HydrophobicContact CB-CD1 4.48Å; F6-L21 HydrophobicContact CB-CD1 3.61Å; F6-L21 HydrophobicContact CD2-CB 3.8Å; F6-L21 HydrophobicContact CD2-CD1 3.53Å; F6-L21 HydrophobicContact CD2-CG 4.35Å; F6-L21 HydrophobicContact CE2-CB 4.31Å; F6-L21 HydrophobicContact CG-CD1 3.96Å; Y9-L21 HydrophobicContact CD2-CD1 3.45Å; Y9-L21 VanDerWaalsContact CD2-CD1 3.45Å; Y9-L21 HydrophobicContact CD2-CG 4.11Å; Y9-L21 HydrophobicContact CE2-CD1 3.9Å; Y9-L21 HydrophobicContact CE2-CG 4.22Å; N17-L21 WeakPolarHBondContact O-CG 3.4Å; N17-L21 PolarHBondContact O-N 3.26Å; I18-L21 PolarHBondContact O-N 3.25Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 3.24Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 2.79Å; L21-I24 HydrophobicContact CD2-CD1 3.88Å; L21-I24 WeakPolarHBondContact O-CA 3.47Å; L21-I24 WeakPolarHBondContact O-CB 3.37Å; L21-I24 PolarHBondContact O-N 3.19Å; L21-F25 WeakPolarHBondContact O-CD2 3.46Å; L21-F25 PolarHBondContact O-N 3.45Å
22L86.8Confident86Confident1 Ų177 Ų771%0.00538%0.376CS..Hα-helixtrans-56.8-43.4172.7-174.766.1000110.9I18 V19 Y20 I24 F25 F26 I35 F38 H89 V90 Y93I18-L22 PolarHBondContact O-N 3.27Å; I18-L22 VanDerWaalsContact O-N 3.14Å; V19-L22 WeakPolarHBondContact O-CB 3.17Å; V19-L22 PolarHBondContact O-N 2.92Å; Y20-L22 VanDerWaalsContact C-N 3.33Å; Y20-L22 PolarHBondContact O-N 3.04Å; L22-I24 PolarHBondContact O-N 2.97Å; L22-F25 PolarHBondContact O-N 3.25Å; L22-F26 PolarHBondContact O-N 3.1Å; L22-I35 HydrophobicContact CD1-CG1 4.44Å; L22-F38 HydrophobicContact CD1-CB 4.19Å; L22-F38 HydrophobicContact CD1-CG 4.48Å; L22-F38 HydrophobicContact CD2-CD1 4.17Å; L22-F38 HydrophobicContact CD2-CE1 4.31Å; L22-F38 HydrophobicContact CD2-CG 4.43Å; L22-H89 HydrophobicContact CD2-CB 4.43Å; L22-V90 HydrophobicContact CD2-CG2 4.07Å; L22-Y93 HydrophobicContact CD2-CD2 4.46Å
23K87.5Confident86.4Confident89 Ų8973.1 Ų73.139%0.38736%0.36SS..Hα-helixtrans-61.3-41.4172.8-174.8-177.7-178.3176.40112.2V19 Y20 L21 F26 L27 Y93V19-K23 PolarHBondContact O-N 3.44Å; Y20-K23 WeakPolarHBondContact O-CB 3.24Å; Y20-K23 PolarHBondContact O-N 2.97Å; L21-K23 VanDerWaalsContact C-N 3.25Å; L21-K23 PolarHBondContact O-N 2.79Å; K23-F26 PolarHBondContact O-N 3.03Å; K23-L27 HydrophobicContact CG-CD1 4.35Å; K23-L27 WeakPolarHBondContact O-CG 3.3Å; K23-L27 PolarHBondContact O-N 3.39Å; K23-L27 VanDerWaalsContact O-N 3.08Å; K23-Y93 HydrophobicContact CB-CD1 3.77Å; K23-Y93 HydrophobicContact CB-CD2 4.44Å; K23-Y93 HydrophobicContact CB-CE1 4.14Å; K23-Y93 HydrophobicContact CB-CG 3.93Å; K23-Y93 HydrophobicContact CD-CD1 3.93Å; K23-Y93 HydrophobicContact CD-CE1 3.78Å; K23-Y93 HydrophobicContact CG-CD1 3.75Å; K23-Y93 HydrophobicContact CG-CE1 4.12Å; K23-Y93 HydrophobicContact CG-CG 4.36Å
24I87.6Confident87Confident43 Ų4365.6 Ų65.622%0.22133%0.331CS..Hα-helixtrans-64.4-47178.3-69.8167.8000111.4Y20 L21 L22 F26 L27 L28Y20-I24 HydrophobicContact CD1-CD1 3.67Å; Y20-I24 HydrophobicContact CD1-CG1 4.47Å; Y20-I24 HydrophobicContact CE1-CD1 3.25Å; Y20-I24 HydrophobicContact CE1-CG1 4.1Å; Y20-I24 PolarHBondContact O-N 3.13Å; Y20-I24 VanDerWaalsContact O-N 3.1Å; L21-I24 HydrophobicContact CD2-CD1 3.88Å; L21-I24 WeakPolarHBondContact O-CA 3.47Å; L21-I24 WeakPolarHBondContact O-CB 3.37Å; L21-I24 PolarHBondContact O-N 3.19Å; L22-I24 PolarHBondContact O-N 2.97Å; I24-F26 VanDerWaalsContact C-N 3.26Å; I24-F26 PolarHBondContact O-N 3.45Å; I24-L27 PolarHBondContact O-N 3.37Å; I24-L27 VanDerWaalsContact O-N 3.08Å; I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.22Å; I24-L28 WeakPolarHBondContact O-CG 3.43Å; I24-L28 PolarHBondContact O-N 3.41Å
25F86.7Confident87.4Confident0 Ų063.5 Ų63.50%032%0.32CS..Hα-helixtrans-57.4-41.1178.4-83.4-70.8000111.8V3 F6 L21 L22 L28 G29 E30 E33 G34V3-F25 HydrophobicContact CG2-CE1 4.35Å; V3-F25 HydrophobicContact CG2-CZ 4.23Å; F6-F25 AromaticContact CD2-CE2 4Å; F6-F25 HydrophobicContact CD2-CE2 4Å; L21-F25 WeakPolarHBondContact O-CD2 3.46Å; L21-F25 PolarHBondContact O-N 3.45Å; L22-F25 PolarHBondContact O-N 3.25Å; F25-L28 PolarHBondContact O-N 3.49Å; F25-G29 PolarHBondContact O-N 2.96Å; F25-E30 HydrophobicContact CD1-CB 3.96Å; F25-E30 CarbonylContact O-C 3.5Å; F25-E30 WeakPolarHBondContact O-CA 2.95Å; F25-E30 PolarHBondContact O-N 2.87Å; F25-E33 HydrophobicContact CD1-CB 4.49Å; F25-E33 HydrophobicContact CD1-CG 4.33Å; F25-E33 HydrophobicContact CE1-CG 3.88Å; F25-G34 VanDerWaalsContact CG-CA 3.48Å
26F85.2Confident87.8Confident88 Ų8863.3 Ų63.339%0.38632%0.315SS..Hα-helixtrans-60.7-47.8173.3177.5-100000112.5L22 K23 I24 L28 G29 T31 Y93 C94L22-F26 PolarHBondContact O-N 3.1Å; K23-F26 PolarHBondContact O-N 3.03Å; I24-F26 VanDerWaalsContact C-N 3.26Å; I24-F26 PolarHBondContact O-N 3.45Å; F26-L28 PolarHBondContact O-N 3.23Å; F26-G29 PolarHBondContact O-N 3.28Å; F26-T31 HydrophobicContact CD2-CG2 4.25Å; F26-T31 WeakPolarHBondContact CD2-OG1 3.14Å; F26-Y93 WeakPolarHBondContact CB-O 3.14Å; F26-Y93 WeakPolarHBondContact CD1-O 3.29Å; F26-Y93 VanDerWaalsContact CD2-O 3.29Å; F26-Y93 WeakPolarHBondContact CD2-O 3.3Å; F26-Y93 WeakPolarHBondContact CG-O 3.5Å; F26-C94 WeakPolarHBondContact CE2-O 3.48Å
27L87.8Confident88.1Confident125 Ų12556.1 Ų56.165%0.65428%0.283SS*.Hα-helixtrans-62.9-24.8178.6-68.6173.9000113.2K23 I24 G29K23-L27 HydrophobicContact CG-CD1 4.35Å; K23-L27 WeakPolarHBondContact O-CG 3.3Å; K23-L27 PolarHBondContact O-N 3.39Å; K23-L27 VanDerWaalsContact O-N 3.08Å; I24-L27 PolarHBondContact O-N 3.37Å; I24-L27 VanDerWaalsContact O-N 3.08Å; L27-G29 VanDerWaalsContact C-N 3.33Å
28L89.7Confident88.4Confident106 Ų10653.7 Ų53.756%0.55527%0.27SS*.THydrogen-bonded Turntrans-84.5-4.1174.5-65.6174.2000113.4I24 F25 F26 E30I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.22Å; I24-L28 WeakPolarHBondContact O-CG 3.43Å; I24-L28 PolarHBondContact O-N 3.41Å; F25-L28 PolarHBondContact O-N 3.49Å; F26-L28 PolarHBondContact O-N 3.23Å; L28-E30 HydrophobicContact CB-CG 4.49Å; L28-E30 PolarHBondContact O-N 3.19Å
29G87.5Confident88.8Confident64 Ų6453.8 Ų53.866%0.6627%0.27SS*.THydrogen-bonded Turntrans76.39.7-174.200000114.1F25 F26 L27 T31F25-G29 PolarHBondContact O-N 2.96Å; F26-G29 PolarHBondContact O-N 3.28Å; L27-G29 VanDerWaalsContact C-N 3.33Å; G29-T31 PolarHBondContact O-N 2.77Å
30E88.9Confident89.1Confident98 Ų9857.4 Ų57.446%0.45829%0.288SS..  trans-100.941.4-178.2-66.8-170.4170.300111.7F25 L28 N32 E33 G34F25-E30 HydrophobicContact CD1-CB 3.96Å; F25-E30 CarbonylContact O-C 3.5Å; F25-E30 WeakPolarHBondContact O-CA 2.95Å; F25-E30 PolarHBondContact O-N 2.87Å; L28-E30 HydrophobicContact CB-CG 4.49Å; L28-E30 PolarHBondContact O-N 3.19Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 3.43Å; E30-E33 HydrophobicContact CB-CB 4.35Å; E30-E33 PolarHBondContact O-N 3.05Å; E30-E33 VanDerWaalsContact O-N 3.11Å; E30-G34 PolarHBondContact O-N 3.2Å
31T89.6Confident89.4Confident28 Ų2851.8 Ų51.817%0.17227%0.266CS..Hα-helixtrans-54.2-44.6-174.3-51.70000112.9F26 G29 E33 G34 I35 C94F26-T31 HydrophobicContact CD2-CG2 4.25Å; F26-T31 WeakPolarHBondContact CD2-OG1 3.14Å; G29-T31 PolarHBondContact O-N 2.77Å; T31-E33 VanDerWaalsContact C-N 3.35Å; T31-E33 PolarHBondContact O-N 3.29Å; T31-G34 PolarHBondContact O-N 2.9Å; T31-I35 HydrophobicContact CG2-CD1 3.85Å; T31-I35 HydrophobicContact CG2-CG1 4.49Å; T31-I35 WeakPolarHBondContact O-CG1 3.36Å; T31-I35 PolarHBondContact O-N 2.77Å; T31-C94 HydrophobicContact CG2-CB 3.73Å
32N90.5Very high89.9Confident132 Ų13251.8 Ų51.871%0.70627%0.266SS*.Hα-helixtrans-63-39.8179.8-70.4-31.5000112.5E30 R36E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 3.43Å; N32-R36 VanDerWaalsContact O-CB 3.27Å; N32-R36 WeakPolarHBondContact O-CB 3.25Å; N32-R36 PolarHBondContact O-N 3.39Å
33E89.9Confident90.4Very high52 Ų5252.7 Ų52.724%0.24327%0.272CS..Hα-helixtrans-69.6-39.9177.7178.359.3-166.200110.9F25 E30 T31 R36 R37F25-E33 HydrophobicContact CD1-CB 4.49Å; F25-E33 HydrophobicContact CD1-CG 4.33Å; F25-E33 HydrophobicContact CE1-CG 3.88Å; E30-E33 HydrophobicContact CB-CB 4.35Å; E30-E33 PolarHBondContact O-N 3.05Å; E30-E33 VanDerWaalsContact O-N 3.11Å; T31-E33 VanDerWaalsContact C-N 3.35Å; T31-E33 PolarHBondContact O-N 3.29Å; E33-R36 PolarHBondContact O-N 3.13Å; E33-R36 IonicContact OE1-CZ 2.76Å; E33-R36 IonicContact OE1-NE 3.54Å; E33-R36 IonicContact OE1-NH2 2.86Å; E33-R36 PolarHBondContact OE1-NH2 3.06Å; E33-R36 IonicContact OE2-CZ 2.9Å; E33-R36 IonicContact OE2-NE 2.79Å; E33-R36 PolarHBondContact OE2-NE 2.91Å; E33-R36 IonicContact OE2-NH2 3.21Å; E33-R36 PolarHBondContact OE2-NH2 3.35Å; E33-R37 WeakPolarHBondContact O-CB 3.5Å; E33-R37 WeakPolarHBondContact O-CG 3.5Å; E33-R37 PolarHBondContact O-N 3.28Å; E33-R37 IonicContact OE1-CZ 3.25Å; E33-R37 IonicContact OE1-NE 3.05Å; E33-R37 PolarHBondContact OE1-NE 3Å; E33-R37 IonicContact OE1-NH2 3.33Å
34G90.4Very high90.7Very high0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-58.6-49.7172.900000112.5F25 E30 T31 R36 R37 F38F25-G34 VanDerWaalsContact CG-CA 3.48Å; E30-G34 PolarHBondContact O-N 3.2Å; T31-G34 PolarHBondContact O-N 2.9Å; G34-R36 PolarHBondContact O-N 3.24Å; G34-R37 PolarHBondContact O-N 2.76Å; G34-F38 VanDerWaalsContact O-CB 3.26Å; G34-F38 WeakPolarHBondContact O-CB 3.44Å; G34-F38 PolarHBondContact O-N 2.69Å
35I92.6Very high91Very high9 Ų953.3 Ų53.35%0.04628%0.279CS..Hα-helixtrans-62.3-43.9176.8-67165000110.6L22 T31 R37 F38 S39 N98 L102L22-I35 HydrophobicContact CD1-CG1 4.44Å; T31-I35 HydrophobicContact CG2-CD1 3.85Å; T31-I35 HydrophobicContact CG2-CG1 4.49Å; T31-I35 WeakPolarHBondContact O-CG1 3.36Å; T31-I35 PolarHBondContact O-N 2.77Å; I35-R37 PolarHBondContact O-N 2.95Å; I35-F38 PolarHBondContact O-N 3.42Å; I35-S39 VanDerWaalsContact O-CB 3.24Å; I35-S39 WeakPolarHBondContact O-CB 3.43Å; I35-S39 PolarHBondContact O-N 2.81Å; I35-S39 PolarHBondContact O-OG 3.13Å; I35-N98 HydrophobicContact CD1-CB 3.72Å; I35-L102 HydrophobicContact CG2-CB 4.42Å
36R92.6Very high91.5Very high110 Ų11053.4 Ų53.442%0.41528%0.28SS..Hα-helixtrans-58.9-48178.9-171.7-169.771.676.92.6111.5N32 E33 G34 S39 I40N32-R36 VanDerWaalsContact O-CB 3.27Å; N32-R36 WeakPolarHBondContact O-CB 3.25Å; N32-R36 PolarHBondContact O-N 3.39Å; E33-R36 PolarHBondContact O-N 3.13Å; E33-R36 IonicContact OE1-CZ 2.76Å; E33-R36 IonicContact OE1-NE 3.54Å; E33-R36 IonicContact OE1-NH2 2.86Å; E33-R36 PolarHBondContact OE1-NH2 3.06Å; E33-R36 IonicContact OE2-CZ 2.9Å; E33-R36 IonicContact OE2-NE 2.79Å; E33-R36 PolarHBondContact OE2-NE 2.91Å; E33-R36 IonicContact OE2-NH2 3.21Å; E33-R36 PolarHBondContact OE2-NH2 3.35Å; G34-R36 PolarHBondContact O-N 3.24Å; R36-S39 WeakPolarHBondContact O-CB 3.34Å; R36-S39 PolarHBondContact O-N 2.89Å; R36-I40 HydrophobicContact CG-CD1 4.45Å; R36-I40 WeakPolarHBondContact O-CG1 3.33Å; R36-I40 PolarHBondContact O-N 3.2Å
37R90.3Very high92.1Very high28 Ų2850.2 Ų50.211%0.10627%0.268CS..Hα-helixtrans-66.3-43.3178.6-76.7-171.9175-99.6-10.8112.6V3 F6 D7 E33 G34 I35 S39 I40 Y41V3-R37 VanDerWaalsContact CG1-CZ 3.45Å; V3-R37 PolarHBondContact O-NH1 2.99Å; F6-R37 HydrophobicContact CD1-CB 3.82Å; F6-R37 HydrophobicContact CD1-CG 4.33Å; F6-R37 HydrophobicContact CD2-CB 4.31Å; F6-R37 HydrophobicContact CE1-CB 3.55Å; F6-R37 HydrophobicContact CE1-CG 4.47Å; F6-R37 VanDerWaalsContact CE1-O 3.31Å; F6-R37 WeakPolarHBondContact CE1-O 3.39Å; F6-R37 HydrophobicContact CE2-CB 4.09Å; F6-R37 HydrophobicContact CG-CB 4.21Å; F6-R37 VanDerWaalsContact CZ-C 3.41Å; F6-R37 HydrophobicContact CZ-CB 3.73Å; F6-R37 WeakPolarHBondContact CZ-O 3.47Å; D7-R37 IonicContact OD1-NH1 3.29Å; D7-R37 PolarHBondContact OD1-NH1 3.01Å; D7-R37 IonicContact OD2-CZ 2.7Å; D7-R37 IonicContact OD2-NH1 2.77Å; D7-R37 PolarHBondContact OD2-NH1 2.9Å; E33-R37 WeakPolarHBondContact O-CB 3.5Å; E33-R37 WeakPolarHBondContact O-CG 3.5Å; E33-R37 PolarHBondContact O-N 3.28Å; E33-R37 IonicContact OE1-CZ 3.25Å; E33-R37 IonicContact OE1-NE 3.05Å; E33-R37 PolarHBondContact OE1-NE 3Å; E33-R37 IonicContact OE1-NH2 3.33Å; G34-R37 PolarHBondContact O-N 2.76Å; I35-R37 PolarHBondContact O-N 2.95Å; R37-S39 VanDerWaalsContact C-N 3.29Å; R37-S39 PolarHBondContact O-N 3.47Å; R37-I40 PolarHBondContact O-N 3.08Å; R37-Y41 PolarHBondContact O-N 3.31Å; R37-Y41 VanDerWaalsContact O-N 3.1Å
38F91.9Very high92.5Very high0 Ų047.6 Ų47.60%026%0.255CS..Hα-helixtrans-60.4-41174.5-171.1-120.9000112.1I18 V19 L22 G34 I35 Y41 L42 N86 V90 L102I18-F38 HydrophobicContact CG2-CD2 3.68Å; I18-F38 HydrophobicContact CG2-CE2 3.91Å; V19-F38 HydrophobicContact CG2-CE2 4.26Å; L22-F38 HydrophobicContact CD1-CB 4.19Å; L22-F38 HydrophobicContact CD1-CG 4.48Å; L22-F38 HydrophobicContact CD2-CD1 4.17Å; L22-F38 HydrophobicContact CD2-CE1 4.31Å; L22-F38 HydrophobicContact CD2-CG 4.43Å; G34-F38 VanDerWaalsContact O-CB 3.26Å; G34-F38 WeakPolarHBondContact O-CB 3.44Å; G34-F38 PolarHBondContact O-N 2.69Å; I35-F38 PolarHBondContact O-N 3.42Å; F38-Y41 HydrophobicContact CD2-CD1 4.39Å; F38-Y41 HydrophobicContact CE2-CD1 4.37Å; F38-Y41 WeakPolarHBondContact O-CB 3.33Å; F38-Y41 PolarHBondContact O-N 2.69Å; F38-L42 HydrophobicContact CD1-CD1 3.88Å; F38-L42 HydrophobicContact CE1-CD1 3.51Å; F38-L42 HydrophobicContact CE2-CD1 4.33Å; F38-L42 HydrophobicContact CG-CD1 4.44Å; F38-L42 HydrophobicContact CZ-CD1 3.77Å; F38-L42 HydrophobicContact CZ-CG 4.41Å; F38-L42 WeakPolarHBondContact O-CG 3.46Å; F38-L42 PolarHBondContact O-N 2.98Å; F38-N86 HydrophobicContact CE1-CB 4Å; F38-N86 HydrophobicContact CZ-CB 3.96Å; F38-N86 WeakPolarHBondContact CZ-OD1 3.48Å; F38-V90 HydrophobicContact CD1-CG2 4.12Å; F38-V90 HydrophobicContact CE1-CG2 4.06Å; F38-L102 HydrophobicContact CD1-CD1 4.31Å; F38-L102 HydrophobicContact CD1-CD2 4.45Å; F38-L102 HydrophobicContact CE1-CD2 4.25Å
39S93.6Very high92.8Very high2 Ų246 Ų461%0.01424%0.244CC..Hα-helixtrans-63.1-42.6175.4-58.30000112I35 R36 R37 Y41 L42 C43 L102I35-S39 VanDerWaalsContact O-CB 3.24Å; I35-S39 WeakPolarHBondContact O-CB 3.43Å; I35-S39 PolarHBondContact O-N 2.81Å; I35-S39 PolarHBondContact O-OG 3.13Å; R36-S39 WeakPolarHBondContact O-CB 3.34Å; R36-S39 PolarHBondContact O-N 2.89Å; R37-S39 VanDerWaalsContact C-N 3.29Å; R37-S39 PolarHBondContact O-N 3.47Å; S39-Y41 PolarHBondContact O-N 3.46Å; S39-L42 PolarHBondContact O-N 3.07Å; S39-C43 VanDerWaalsContact O-CB 3.3Å; S39-C43 WeakPolarHBondContact O-CB 3.22Å; S39-C43 PolarHBondContact O-N 3.47Å; S39-C43 PolarHBondContact O-SG 2.94Å; S39-L102 WeakPolarHBondContact OG-CA 3.45Å; S39-L102 WeakPolarHBondContact OG-CD1 3.39Å
40I92.7Very high93.2Very high94 Ų9443 Ų4348%0.48221%0.213SC..Hα-helixtrans-60.6-45.4176.7-71.6165.3000111.3R36 R37 C43 S44R36-I40 HydrophobicContact CG-CD1 4.45Å; R36-I40 WeakPolarHBondContact O-CG1 3.33Å; R36-I40 PolarHBondContact O-N 3.2Å; R37-I40 PolarHBondContact O-N 3.08Å; I40-C43 PolarHBondContact O-N 2.96Å; I40-S44 PolarHBondContact O-N 3.34Å
41Y91.5Very high93.6Very high15 Ų1542.4 Ų42.46%0.05921%0.21CC..Hα-helixtrans-56.9-51.3175.4161.2-108.6000111.4V10 E15 I18 R37 F38 S39 C43 S44 Y45V10-Y41 HydrophobicContact CG1-CD2 4.23Å; V10-Y41 HydrophobicContact CG2-CD2 4.13Å; V10-Y41 HydrophobicContact CG2-CG 4.29Å; E15-Y41 VanDerWaalsContact CG-OH 3.23Å; E15-Y41 WeakPolarHBondContact CG-OH 3.27Å; I18-Y41 HydrophobicContact CD1-CD1 4.17Å; I18-Y41 HydrophobicContact CD1-CD2 3.66Å; I18-Y41 HydrophobicContact CD1-CE1 4.05Å; I18-Y41 HydrophobicContact CD1-CE2 3.53Å; I18-Y41 HydrophobicContact CD1-CG 3.98Å; I18-Y41 HydrophobicContact CG2-CD1 3.87Å; I18-Y41 HydrophobicContact CG2-CE1 4.24Å; I18-Y41 HydrophobicContact CG2-CG 4.27Å; R37-Y41 PolarHBondContact O-N 3.31Å; R37-Y41 VanDerWaalsContact O-N 3.1Å; F38-Y41 HydrophobicContact CD2-CD1 4.39Å; F38-Y41 HydrophobicContact CE2-CD1 4.37Å; F38-Y41 WeakPolarHBondContact O-CB 3.33Å; F38-Y41 PolarHBondContact O-N 2.69Å; S39-Y41 PolarHBondContact O-N 3.46Å; Y41-C43 PolarHBondContact O-N 2.75Å; Y41-S44 WeakPolarHBondContact O-CB 3.48Å; Y41-S44 PolarHBondContact O-N 3.45Å; Y41-Y45 PolarHBondContact O-N 3.14Å
42L94.6Very high93.8Very high3 Ų345.7 Ų45.72%0.01623%0.226CC..Hα-helixtrans-65-39.9-179.6-71.3173.5000112.3F38 S39 S44 Y45 I46 T82 N86 L102 V106F38-L42 HydrophobicContact CD1-CD1 3.88Å; F38-L42 HydrophobicContact CE1-CD1 3.51Å; F38-L42 HydrophobicContact CE2-CD1 4.33Å; F38-L42 HydrophobicContact CG-CD1 4.44Å; F38-L42 HydrophobicContact CZ-CD1 3.77Å; F38-L42 HydrophobicContact CZ-CG 4.41Å; F38-L42 WeakPolarHBondContact O-CG 3.46Å; F38-L42 PolarHBondContact O-N 2.98Å; S39-L42 PolarHBondContact O-N 3.07Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 3.43Å; L42-Y45 PolarHBondContact O-N 2.87Å; L42-I46 WeakPolarHBondContact O-CB 3.46Å; L42-I46 VanDerWaalsContact O-CG1 3.24Å; L42-I46 WeakPolarHBondContact O-CG1 3.28Å; L42-I46 PolarHBondContact O-N 2.92Å; L42-T82 HydrophobicContact CD2-CG2 4.2Å; L42-N86 HydrophobicContact CD1-CB 3.64Å; L42-N86 HydrophobicContact CD2-CB 4.34Å; L42-L102 HydrophobicContact CD1-CD1 3.57Å; L42-L102 HydrophobicContact CD1-CD2 4.3Å; L42-V106 HydrophobicContact CB-CG2 4.39Å
43C96.5Very high94Very high21 Ų2140 Ų4014%0.14220%0.195CC..Hα-helixtrans-59.8-41.4174.8-700000111.4S39 I40 Y41 S47 S105 V109S39-C43 VanDerWaalsContact O-CB 3.3Å; S39-C43 WeakPolarHBondContact O-CB 3.22Å; S39-C43 PolarHBondContact O-N 3.47Å; S39-C43 PolarHBondContact O-SG 2.94Å; I40-C43 PolarHBondContact O-N 2.96Å; Y41-C43 PolarHBondContact O-N 2.75Å; C43-S47 WeakPolarHBondContact O-CB 3.2Å; C43-S47 PolarHBondContact O-N 2.88Å; C43-S47 PolarHBondContact O-OG 3.27Å; C43-S105 VanDerWaalsContact SG-C 3.58Å; C43-S105 PolarHBondContact SG-O 3.03Å; C43-S105 VanDerWaalsContact SG-O 3.36Å; C43-V109 HydrophobicContact CB-CG2 3.67Å
44S94.6Very high94.1Very high61 Ų6138 Ų3843%0.42719%0.186SC..Hα-helixtrans-66.8-45.3175.7-177.10000111.9I40 Y41 L42 I46 S47 N48I40-S44 PolarHBondContact O-N 3.34Å; Y41-S44 WeakPolarHBondContact O-CB 3.48Å; Y41-S44 PolarHBondContact O-N 3.45Å; L42-S44 VanDerWaalsContact C-N 3.3Å; L42-S44 PolarHBondContact O-N 3.43Å; S44-I46 PolarHBondContact O-N 2.96Å; S44-S47 PolarHBondContact O-N 3.35Å; S44-N48 VanDerWaalsContact O-CG 3.26Å; S44-N48 PolarHBondContact O-N 3.48Å; S44-N48 PolarHBondContact O-ND2 3.22Å
45Y94Very high94.2Very high84 Ų8441.8 Ų41.833%0.32921%0.209SC..Hα-helixtrans-57.8-48.9176.2174.9-104.6000111.6Y41 L42 N48 K49 F78 T82Y41-Y45 PolarHBondContact O-N 3.14Å; L42-Y45 PolarHBondContact O-N 2.87Å; Y45-N48 PolarHBondContact O-N 3.45Å; Y45-K49 PolarHBondContact O-N 3.18Å; Y45-F78 HydrophobicContact CD1-CZ 4.09Å; Y45-F78 AromaticContact CE1-CE2 3.93Å; Y45-F78 HydrophobicContact CE1-CE2 3.93Å; Y45-F78 AromaticContact CE1-CZ 3.54Å; Y45-F78 HydrophobicContact CE1-CZ 3.54Å; Y45-T82 HydrophobicContact CD1-CG2 4.32Å; Y45-T82 HydrophobicContact CE1-CG2 4.36Å
46I97.2Very high94Very high1 Ų145.1 Ų45.11%0.00523%0.23CC..Hα-helixtrans-63.5-46.8179-70168.6000110.8L42 S44 N48 K49 C50 F78 V79 T82 V106 V109L42-I46 WeakPolarHBondContact O-CB 3.46Å; L42-I46 VanDerWaalsContact O-CG1 3.24Å; L42-I46 WeakPolarHBondContact O-CG1 3.28Å; L42-I46 PolarHBondContact O-N 2.92Å; S44-I46 PolarHBondContact O-N 2.96Å; I46-N48 VanDerWaalsContact C-N 3.34Å; I46-N48 PolarHBondContact O-N 3.46Å; I46-K49 PolarHBondContact O-N 3.41Å; I46-K49 VanDerWaalsContact O-N 3.12Å; I46-C50 PolarHBondContact O-N 3.37Å; I46-C50 PolarHBondContact O-SG 3.35Å; I46-C50 VanDerWaalsContact O-SG 3.33Å; I46-F78 HydrophobicContact CB-CE1 4.27Å; I46-F78 HydrophobicContact CG1-CE1 4.04Å; I46-F78 HydrophobicContact CG1-CZ 4.47Å; I46-F78 HydrophobicContact CG2-CE1 4.24Å; I46-V79 HydrophobicContact CD1-CG1 4.45Å; I46-V79 HydrophobicContact CD1-CG2 4.49Å; I46-V79 HydrophobicContact CG2-CG2 3.61Å; I46-T82 HydrophobicContact CD1-CG2 3.98Å; I46-T82 HydrophobicContact CG1-CG2 4.06Å; I46-V106 HydrophobicContact CD1-CB 4.42Å; I46-V106 HydrophobicContact CD1-CG1 3.45Å; I46-V106 VanDerWaalsContact CD1-CG1 3.45Å; I46-V106 HydrophobicContact CD1-CG2 4.11Å; I46-V109 HydrophobicContact CG2-CG1 3.83Å
47S97.7Very high93.6Very high21 Ų2142 Ų4215%0.14722%0.222CC..Hα-helixtrans-56.2-47.1179.4-64.80000112.2C43 S44 K49 C50 E51 V109 Y113C43-S47 WeakPolarHBondContact O-CB 3.2Å; C43-S47 PolarHBondContact O-N 2.88Å; C43-S47 PolarHBondContact O-OG 3.27Å; S44-S47 PolarHBondContact O-N 3.35Å; S47-K49 VanDerWaalsContact C-N 3.31Å; S47-K49 PolarHBondContact O-N 2.81Å; S47-C50 PolarHBondContact O-N 3.12Å; S47-E51 WeakPolarHBondContact O-CB 3.25Å; S47-E51 WeakPolarHBondContact O-CG 3.49Å; S47-E51 PolarHBondContact O-N 3.17Å; S47-V109 WeakPolarHBondContact OG-CG1 3.31Å; S47-Y113 WeakPolarHBondContact CA-OH 3.38Å; S47-Y113 VanDerWaalsContact CB-OH 3.23Å; S47-Y113 WeakPolarHBondContact CB-OH 3.43Å; S47-Y113 PolarHBondContact O-OH 3.28Å
48N95.9Very high93Very high71 Ų7147.3 Ų47.338%0.3825%0.246SC..Hα-helixtrans-59.5-41.5177.9-70.9-40.9000112.1S44 Y45 I46 L52S44-N48 VanDerWaalsContact O-CG 3.26Å; S44-N48 PolarHBondContact O-N 3.48Å; S44-N48 PolarHBondContact O-ND2 3.22Å; Y45-N48 PolarHBondContact O-N 3.45Å; I46-N48 VanDerWaalsContact C-N 3.34Å; I46-N48 PolarHBondContact O-N 3.46Å; N48-L52 PolarHBondContact O-N 3.5Å; N48-L52 VanDerWaalsContact O-N 3.15Å
49K96.2Very high91.6Very high73 Ų7351.6 Ų51.632%0.31728%0.276SS..Hα-helixtrans-69.1-45.7177.7179.862.2174174.80111.3Y45 I46 S47 E51 L52 L53 F78Y45-K49 PolarHBondContact O-N 3.18Å; I46-K49 PolarHBondContact O-N 3.41Å; I46-K49 VanDerWaalsContact O-N 3.12Å; S47-K49 VanDerWaalsContact C-N 3.31Å; S47-K49 PolarHBondContact O-N 2.81Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 2.98Å; K49-L52 WeakPolarHBondContact O-CB 3.48Å; K49-L52 PolarHBondContact O-N 3.47Å; K49-L52 VanDerWaalsContact O-N 3.17Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.36Å; K49-F78 HydrophobicContact CB-CD1 4.3Å; K49-F78 HydrophobicContact CB-CE1 3.55Å; K49-F78 HydrophobicContact CB-CE2 4.4Å; K49-F78 HydrophobicContact CB-CZ 3.6Å; K49-F78 HydrophobicContact CG-CD1 3.83Å; K49-F78 HydrophobicContact CG-CD2 4.18Å; K49-F78 HydrophobicContact CG-CE1 3.52Å; K49-F78 HydrophobicContact CG-CE2 3.9Å; K49-F78 HydrophobicContact CG-CG 4.15Å; K49-F78 HydrophobicContact CG-CZ 3.55Å
50C96.6Very high90.1Very high1 Ų154.1 Ų54.11%0.00729%0.293CS..Hα-helixtrans-60.5-39177.4-66.70000112.2I46 S47 L53 I54 Y113I46-C50 PolarHBondContact O-N 3.37Å; I46-C50 PolarHBondContact O-SG 3.35Å; I46-C50 VanDerWaalsContact O-SG 3.33Å; S47-C50 PolarHBondContact O-N 3.12Å; C50-L53 PolarHBondContact O-N 3.1Å; C50-I54 WeakPolarHBondContact O-CB 3.42Å; C50-I54 WeakPolarHBondContact O-CG1 3.28Å; C50-I54 PolarHBondContact O-N 2.82Å; C50-Y113 HydrophobicContact CB-CD1 3.74Å; C50-Y113 HydrophobicContact CB-CD2 3.65Å; C50-Y113 HydrophobicContact CB-CE1 3.96Å; C50-Y113 HydrophobicContact CB-CE2 3.9Å; C50-Y113 HydrophobicContact CB-CG 3.58Å
51E95.9Very high88Confident84 Ų8455.6 Ų55.639%0.39331%0.312SS..Hα-helixtrans-63.2-41.7174.2-75.9174.9-172.900112.4S47 K49 I54 T55 Y113S47-E51 WeakPolarHBondContact O-CB 3.25Å; S47-E51 WeakPolarHBondContact O-CG 3.49Å; S47-E51 PolarHBondContact O-N 3.17Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 2.98Å; E51-I54 PolarHBondContact O-N 3.23Å; E51-T55 WeakPolarHBondContact O-CB 3.19Å; E51-T55 VanDerWaalsContact O-CG2 3.28Å; E51-T55 WeakPolarHBondContact O-CG2 3.36Å; E51-T55 PolarHBondContact O-N 2.91Å; E51-T55 PolarHBondContact O-OG1 3.41Å; E51-Y113 HydrophobicContact CG-CE1 3.66Å; E51-Y113 WeakPolarHBondContact CG-OH 3.42Å; E51-Y113 PolarHBondContact OE1-OH 3.4Å
52L95.2Very high86Confident97 Ų9762.3 Ų62.351%0.50834%0.344SS..Hα-helixtrans-60.1-49.4173.3-168.482.1000111.1N48 K49 I54 T55 T56N48-L52 PolarHBondContact O-N 3.5Å; N48-L52 VanDerWaalsContact O-N 3.15Å; K49-L52 WeakPolarHBondContact O-CB 3.48Å; K49-L52 PolarHBondContact O-N 3.47Å; K49-L52 VanDerWaalsContact O-N 3.17Å; L52-I54 VanDerWaalsContact C-N 3.33Å; L52-I54 PolarHBondContact O-N 3.23Å; L52-T55 WeakPolarHBondContact CA-OG1 3.14Å; L52-T55 PolarHBondContact O-N 2.89Å; L52-T55 PolarHBondContact O-OG1 3.2Å; L52-T56 WeakPolarHBondContact O-CB 3.26Å; L52-T56 PolarHBondContact O-N 3.37Å; L52-T56 PolarHBondContact O-OG1 3.46Å; L52-T56 VanDerWaalsContact O-OG1 3.04Å
53L94.1Very high84.1Confident12 Ų1267.9 Ų67.96%0.06338%0.383CS..Hα-helixtrans-57.6-46.9179.2-65.6-178.4000111.8K49 C50 T55 N57 L71 E74 I75K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.36Å; C50-L53 PolarHBondContact O-N 3.1Å; L53-T55 PolarHBondContact O-N 3.17Å; L53-N57 VanDerWaalsContact O-CB 3.28Å; L53-N57 WeakPolarHBondContact O-CB 3.28Å; L53-N57 PolarHBondContact O-N 3.1Å; L53-L71 HydrophobicContact CB-CD1 3.84Å; L53-E74 HydrophobicContact CD1-CB 4.44Å; L53-E74 HydrophobicContact CD1-CG 3.88Å; L53-E74 VanDerWaalsContact CD2-CD 3.42Å; L53-E74 HydrophobicContact CD2-CG 4.28Å; L53-E74 WeakPolarHBondContact CD2-OE1 3.35Å; L53-I75 HydrophobicContact CD1-CG1 3.98Å
54I92.5Very high82.4Confident11 Ų1169.5 Ų69.56%0.05640%0.395CS..Hα-helixtrans-63.7-40178.8-77.2167.6000112.1C50 E51 L52 K58 L71 I75 Y113 V117C50-I54 WeakPolarHBondContact O-CB 3.42Å; C50-I54 WeakPolarHBondContact O-CG1 3.28Å; C50-I54 PolarHBondContact O-N 2.82Å; E51-I54 PolarHBondContact O-N 3.23Å; L52-I54 VanDerWaalsContact C-N 3.33Å; L52-I54 PolarHBondContact O-N 3.23Å; I54-K58 WeakPolarHBondContact O-CG 3.35Å; I54-K58 PolarHBondContact O-N 2.96Å; I54-L71 HydrophobicContact CG1-CD2 4.16Å; I54-I75 HydrophobicContact CG1-CD1 4.5Å; I54-Y113 HydrophobicContact CD1-CD1 3.58Å; I54-Y113 HydrophobicContact CD1-CE1 4.33Å; I54-Y113 HydrophobicContact CD1-CG 4.48Å; I54-V117 HydrophobicContact CD1-CG2 4.36Å; I54-V117 HydrophobicContact CG1-CG2 4.31Å
55T91.3Very high81.4Confident79 Ų7974 Ų7449%0.48541%0.409SS..Hα-helixtrans-74.7-40-178.749.40000112.1E51 L52 L53 K58 S59E51-T55 WeakPolarHBondContact O-CB 3.19Å; E51-T55 VanDerWaalsContact O-CG2 3.28Å; E51-T55 WeakPolarHBondContact O-CG2 3.36Å; E51-T55 PolarHBondContact O-N 2.91Å; E51-T55 PolarHBondContact O-OG1 3.41Å; L52-T55 WeakPolarHBondContact CA-OG1 3.14Å; L52-T55 PolarHBondContact O-N 2.89Å; L52-T55 PolarHBondContact O-OG1 3.2Å; L53-T55 PolarHBondContact O-N 3.17Å; T55-K58 PolarHBondContact O-N 3.13Å; T55-S59 PolarHBondContact O-N 2.66Å
56T88.8Confident81Confident80 Ų8072.3 Ų72.349%0.49140%0.403SS..Hα-helixtrans-62.5-44.4175-59.70000111.4L52 K58 S59 S60L52-T56 WeakPolarHBondContact O-CB 3.26Å; L52-T56 PolarHBondContact O-N 3.37Å; L52-T56 PolarHBondContact O-OG1 3.46Å; L52-T56 VanDerWaalsContact O-OG1 3.04Å; T56-K58 VanDerWaalsContact C-N 3.28Å; T56-K58 PolarHBondContact O-N 2.8Å; T56-S59 PolarHBondContact O-N 3.43Å; T56-S59 PolarHBondContact O-OG 3.01Å; T56-S60 PolarHBondContact O-N 3.38Å
57N84.8Confident80.7Confident45 Ų4574.5 Ų74.524%0.24142%0.417CS..Hα-helixtrans-62.4-33179.5-170.2-74.9000112.8L53 S59 S60 V67 L71L53-N57 VanDerWaalsContact O-CB 3.28Å; L53-N57 WeakPolarHBondContact O-CB 3.28Å; L53-N57 PolarHBondContact O-N 3.1Å; N57-S59 VanDerWaalsContact C-N 3.26Å; N57-S59 PolarHBondContact O-N 3.24Å; N57-S60 PolarHBondContact O-OG 2.86Å; N57-V67 WeakPolarHBondContact OD1-CG1 3.32Å; N57-L71 HydrophobicContact CB-CD1 4.44Å; N57-L71 HydrophobicContact CB-CD2 4.25Å
58K77Confident80.5Confident139 Ų13974.2 Ų74.260%0.60442%0.415SS*.Hα-helixtrans-65.6-27.4172.5-73.1176.7-179.2-175.60113.8I54 T55 T56 R120I54-K58 WeakPolarHBondContact O-CG 3.35Å; I54-K58 PolarHBondContact O-N 2.96Å; T55-K58 PolarHBondContact O-N 3.13Å; T56-K58 VanDerWaalsContact C-N 3.28Å; T56-K58 PolarHBondContact O-N 2.8Å; K58-R120 VanDerWaalsContact CE-CZ 3.46Å
59S63.2Low80.5Confident90 Ų9070.9 Ų70.963%0.62940%0.397SS*.Hα-helixtrans-91.7-20.9-175.365.90000113.6T55 T56 N57 S61T55-S59 PolarHBondContact O-N 2.66Å; T56-S59 PolarHBondContact O-N 3.43Å; T56-S59 PolarHBondContact O-OG 3.01Å; N57-S59 VanDerWaalsContact C-N 3.26Å; N57-S59 PolarHBondContact O-N 3.24Å; S59-S61 PolarHBondContact O-N 3.16Å; S59-S61 VanDerWaalsContact O-N 3.13Å
60S61.2Low80.4Confident54 Ų5470.8 Ų70.838%0.37840%0.4SS..  trans-72.5105.1173.849.30000109.6T56 N57 Q62T56-S60 PolarHBondContact O-N 3.38Å; N57-S60 PolarHBondContact O-OG 2.86Å; S60-Q62 PolarHBondContact O-N 3.34Å
61S49.6Very low80.3Confident126 Ų12671 Ų7188%0.88140%0.401SS*.  trans-68.711.1168.251.50000113.5S59 S63S59-S61 PolarHBondContact O-N 3.16Å; S59-S61 VanDerWaalsContact O-N 3.13Å; S61-S63 PolarHBondContact O-N 3.42Å
62Q48.5Very low80.4Confident156 Ų15667 Ų6773%0.72938%0.382SS*.  trans-81.4116.2177.8-73.6-179.3-18.300108.8S60 S64S60-Q62 PolarHBondContact O-N 3.34Å; Q62-S64 PolarHBondContact O-N 3.01Å
63S55.2Low80.5Confident120 Ų12063.8 Ų63.884%0.83937%0.367SS*.  trans-65.167.5166.656.50000110S61 E65S61-S63 PolarHBondContact O-N 3.42Å; S63-E65 PolarHBondContact O-N 3.32Å
64S61.6Low80.6Confident55 Ų5567.6 Ų67.639%0.38538%0.384SS..  trans-70.2129.6166.157.20000107.7Q62 F66 V67Q62-S64 PolarHBondContact O-N 3.01Å; S64-F66 PolarHBondContact O-N 2.93Å; S64-V67 WeakPolarHBondContact O-CG2 3.46Å
65E73.8Confident80.9Confident155 Ų15567 Ų6772%0.72438%0.382SS*.THydrogen-bonded Turntrans-57.2137.9163.9-66.1178.217300107.7S63 N70S63-E65 PolarHBondContact O-N 3.32Å; E65-N70 PolarHBondContact O-ND2 3.43Å
66F84.8Confident81.2Confident48 Ų4863.6 Ų63.621%0.21136%0.36CS..THydrogen-bonded Turntrans69.739.8173.5-40.9-60.7000116.1S64 S68 A69 N70 P175 V178 E179S64-F66 PolarHBondContact O-N 2.93Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 3.22Å; F66-A69 HydrophobicContact CB-CB 4.27Å; F66-A69 PolarHBondContact O-N 3.09Å; F66-N70 WeakPolarHBondContact O-CB 3.26Å; F66-N70 VanDerWaalsContact O-CG 3.25Å; F66-N70 PolarHBondContact O-N 2.69Å; F66-N70 PolarHBondContact O-ND2 3.34Å; F66-N70 VanDerWaalsContact O-ND2 3.14Å; F66-P175 HydrophobicContact CE1-CB 4.43Å; F66-P175 WeakPolarHBondContact CE1-O 3.48Å; F66-V178 HydrophobicContact CD1-CG1 4.43Å; F66-V178 HydrophobicContact CE1-CB 3.86Å; F66-V178 HydrophobicContact CE1-CG1 3.72Å; F66-V178 HydrophobicContact CE2-CG1 4.39Å; F66-V178 HydrophobicContact CZ-CB 4.14Å; F66-V178 HydrophobicContact CZ-CG1 3.68Å; F66-E179 VanDerWaalsContact CA-CD 3.43Å; F66-E179 WeakPolarHBondContact CA-OE1 3.37Å; F66-E179 HydrophobicContact CB-CG 4.03Å; F66-E179 HydrophobicContact CD1-CB 3.67Å; F66-E179 HydrophobicContact CD1-CG 3.94Å; F66-E179 HydrophobicContact CE1-CB 4.37Å; F66-E179 HydrophobicContact CG-CG 4.49Å
67V89.8Confident81.6Confident47 Ų4766 Ų6629%0.28537%0.366SS..Hα-helixtrans-50.5-46.1-177.1-173.80000113.2N57 S64 L71 E179N57-V67 WeakPolarHBondContact OD1-CG1 3.32Å; S64-V67 WeakPolarHBondContact O-CG2 3.46Å; V67-L71 WeakPolarHBondContact O-CB 3.39Å; V67-L71 PolarHBondContact O-N 3.13Å; V67-L71 VanDerWaalsContact O-N 3.1Å; V67-E179 PolarHBondContact N-OE1 2.79Å
68S94.1Very high82.2Confident16 Ų1665.6 Ų65.611%0.11236%0.362CS..Hα-helixtrans-73.8-41.8-174.6-540000111F66 L71 I72 E179F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 3.22Å; S68-L71 PolarHBondContact O-N 3.48Å; S68-I72 WeakPolarHBondContact O-CB 3.33Å; S68-I72 WeakPolarHBondContact O-CG1 3.42Å; S68-I72 PolarHBondContact O-N 2.92Å; S68-E179 WeakPolarHBondContact CA-OE1 3.28Å; S68-E179 WeakPolarHBondContact CB-OE1 3.29Å; S68-E179 PolarHBondContact N-OE1 2.67Å
69A95.7Very high83.2Confident0 Ų059 Ų590%033%0.334CS..Hα-helixtrans-63.2-43.7176.700000112.2F66 I72 T73 E179 Q182 I183F66-A69 HydrophobicContact CB-CB 4.27Å; F66-A69 PolarHBondContact O-N 3.09Å; A69-I72 PolarHBondContact O-N 3.49Å; A69-T73 WeakPolarHBondContact O-CB 3.47Å; A69-T73 PolarHBondContact O-N 2.97Å; A69-T73 PolarHBondContact O-OG1 2.56Å; A69-E179 HydrophobicContact CB-CG 3.74Å; A69-E179 PolarHBondContact N-OE1 3.32Å; A69-Q182 HydrophobicContact CB-CB 3.82Å; A69-Q182 HydrophobicContact CB-CG 3.8Å; A69-I183 HydrophobicContact CB-CG1 3.81Å
70N94.2Very high84.9Confident71 Ų7155.8 Ų55.838%0.3831%0.312SS..Hα-helixtrans-62.8-44.1177-69.1-29.2000111.3E65 F66 T73 E74E65-N70 PolarHBondContact O-ND2 3.43Å; F66-N70 WeakPolarHBondContact O-CB 3.26Å; F66-N70 VanDerWaalsContact O-CG 3.25Å; F66-N70 PolarHBondContact O-N 2.69Å; F66-N70 PolarHBondContact O-ND2 3.34Å; F66-N70 VanDerWaalsContact O-ND2 3.14Å; N70-T73 PolarHBondContact O-N 2.94Å; N70-E74 PolarHBondContact O-N 2.87Å
71L95.8Very high86.6Confident6 Ų657.2 Ų57.23%0.03132%0.316CS..Hα-helixtrans-65.3-43178179.859.4000112.5L53 I54 N57 V67 S68 T73 E74 I75 V117L53-L71 HydrophobicContact CB-CD1 3.84Å; I54-L71 HydrophobicContact CG1-CD2 4.16Å; N57-L71 HydrophobicContact CB-CD1 4.44Å; N57-L71 HydrophobicContact CB-CD2 4.25Å; V67-L71 WeakPolarHBondContact O-CB 3.39Å; V67-L71 PolarHBondContact O-N 3.13Å; V67-L71 VanDerWaalsContact O-N 3.1Å; S68-L71 PolarHBondContact O-N 3.48Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-E74 PolarHBondContact O-N 2.94Å; L71-I75 HydrophobicContact CD1-CD1 4.16Å; L71-I75 HydrophobicContact CD1-CG1 4.43Å; L71-I75 HydrophobicContact CG-CD1 4.06Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.1Å; L71-I75 PolarHBondContact O-N 3.19Å; L71-V117 HydrophobicContact CD2-CG1 4.04Å; L71-V117 HydrophobicContact CD2-CG2 3.68Å; L71-V117 HydrophobicContact CG-CG1 4.44Å; L71-V117 HydrophobicContact CG-CG2 4.11Å
72I97.5Very high88.8Confident0 Ų051.7 Ų51.70%028%0.277CS..Hα-helixtrans-63.7-42.2176.1-70.7171.9000110.2S68 A69 E74 I75 L76 V114 V117 V118 I183S68-I72 WeakPolarHBondContact O-CB 3.33Å; S68-I72 WeakPolarHBondContact O-CG1 3.42Å; S68-I72 PolarHBondContact O-N 2.92Å; A69-I72 PolarHBondContact O-N 3.49Å; I72-E74 PolarHBondContact O-N 3.43Å; I72-I75 PolarHBondContact O-N 3.5Å; I72-L76 HydrophobicContact CG2-CD1 3.66Å; I72-L76 HydrophobicContact CG2-CG 4.07Å; I72-L76 WeakPolarHBondContact O-CB 3.41Å; I72-L76 VanDerWaalsContact O-CG 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.31Å; I72-L76 PolarHBondContact O-N 3.21Å; I72-V114 HydrophobicContact CD1-CG1 4.19Å; I72-V114 HydrophobicContact CG1-CG1 4.39Å; I72-V114 HydrophobicContact CG2-CG1 4.29Å; I72-V117 HydrophobicContact CD1-CB 4.1Å; I72-V117 HydrophobicContact CD1-CG1 3.85Å; I72-V117 HydrophobicContact CG1-CB 3.86Å; I72-V117 HydrophobicContact CG1-CG1 3.65Å; I72-V117 HydrophobicContact CG1-CG2 4.49Å; I72-V118 HydrophobicContact CD1-CG2 3.79Å; I72-I183 HydrophobicContact CD1-CB 4.48Å; I72-I183 HydrophobicContact CD1-CD1 4.31Å; I72-I183 HydrophobicContact CD1-CG1 4.09Å; I72-I183 HydrophobicContact CD1-CG2 3.63Å
73T96.9Very high91.1Very high30 Ų3044.4 Ų44.418%0.18424%0.242CC..Hα-helixtrans-58.7-49.5176.6-56.50000110.9A69 N70 L71 I75 L76 E77A69-T73 WeakPolarHBondContact O-CB 3.47Å; A69-T73 PolarHBondContact O-N 2.97Å; A69-T73 PolarHBondContact O-OG1 2.56Å; N70-T73 PolarHBondContact O-N 2.94Å; L71-T73 VanDerWaalsContact C-N 3.33Å; T73-I75 VanDerWaalsContact C-N 3.33Å; T73-I75 PolarHBondContact O-N 3.3Å; T73-L76 PolarHBondContact O-N 3.05Å; T73-E77 HydrophobicContact CG2-CG 4.22Å; T73-E77 WeakPolarHBondContact O-CB 3.24Å; T73-E77 WeakPolarHBondContact O-CG 3.31Å; T73-E77 PolarHBondContact O-N 2.73Å
74E96.4Very high92.9Very high91 Ų9144.2 Ų44.243%0.42523%0.227SC..Hα-helixtrans-60.9-40.6178.5-168.4-179.5-178.500112.3L53 N70 L71 I72 F78L53-E74 HydrophobicContact CD1-CB 4.44Å; L53-E74 HydrophobicContact CD1-CG 3.88Å; L53-E74 VanDerWaalsContact CD2-CD 3.42Å; L53-E74 HydrophobicContact CD2-CG 4.28Å; L53-E74 WeakPolarHBondContact CD2-OE1 3.35Å; N70-E74 PolarHBondContact O-N 2.87Å; L71-E74 PolarHBondContact O-N 2.94Å; I72-E74 PolarHBondContact O-N 3.43Å; E74-F78 VanDerWaalsContact O-CB 3.24Å; E74-F78 WeakPolarHBondContact O-CB 3.48Å; E74-F78 PolarHBondContact O-N 3.34Å; E74-F78 VanDerWaalsContact O-N 3.11Å
75I98Very high94.4Very high0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-62.4-50.3175.3-71.5166.6000110.7L53 I54 L71 I72 T73 F78 V79 V114 V117L53-I75 HydrophobicContact CD1-CG1 3.98Å; I54-I75 HydrophobicContact CG1-CD1 4.5Å; L71-I75 HydrophobicContact CD1-CD1 4.16Å; L71-I75 HydrophobicContact CD1-CG1 4.43Å; L71-I75 HydrophobicContact CG-CD1 4.06Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.1Å; L71-I75 PolarHBondContact O-N 3.19Å; I72-I75 PolarHBondContact O-N 3.5Å; T73-I75 VanDerWaalsContact C-N 3.33Å; T73-I75 PolarHBondContact O-N 3.3Å; I75-F78 PolarHBondContact O-N 3.45Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.37Å; I75-V79 PolarHBondContact O-N 3.2Å; I75-V114 HydrophobicContact CG2-CG2 4.46Å; I75-V117 HydrophobicContact CD1-CG2 4.12Å
76L98.2Very high95.3Very high7 Ų738.7 Ų38.74%0.03720%0.198CC..Hα-helixtrans-69.1-40.1-174.8-69.3179.9000112.2I72 T73 V79 A80 V110 V114 C186 Y190I72-L76 HydrophobicContact CG2-CD1 3.66Å; I72-L76 HydrophobicContact CG2-CG 4.07Å; I72-L76 WeakPolarHBondContact O-CB 3.41Å; I72-L76 VanDerWaalsContact O-CG 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.31Å; I72-L76 PolarHBondContact O-N 3.21Å; T73-L76 PolarHBondContact O-N 3.05Å; L76-V79 PolarHBondContact O-N 3.14Å; L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.28Å; L76-A80 PolarHBondContact O-N 3.3Å; L76-V110 HydrophobicContact CD2-CG1 3.52Å; L76-V114 HydrophobicContact CD2-CG2 3.95Å; L76-V114 HydrophobicContact CG-CG2 4.46Å; L76-C186 HydrophobicContact CD1-CB 4.44Å; L76-Y190 HydrophobicContact CB-CD2 4.47Å; L76-Y190 HydrophobicContact CB-CG 4.49Å; L76-Y190 HydrophobicContact CD2-CD1 3.86Å; L76-Y190 HydrophobicContact CD2-CD2 4.07Å; L76-Y190 HydrophobicContact CD2-CE1 4.31Å; L76-Y190 HydrophobicContact CD2-CG 3.72Å; L76-Y190 HydrophobicContact CG-CG 4.48Å
77E97.4Very high95.6Very high131 Ų13136.4 Ų36.461%0.61219%0.188SC*.Hα-helixtrans-63.4-46.2175.3-74.5-177.1168.500111.4T73 V79 A80 D81T73-E77 HydrophobicContact CG2-CG 4.22Å; T73-E77 WeakPolarHBondContact O-CB 3.24Å; T73-E77 WeakPolarHBondContact O-CG 3.31Å; T73-E77 PolarHBondContact O-N 2.73Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.11Å; E77-A80 PolarHBondContact O-N 3.44Å; E77-D81 WeakPolarHBondContact O-CB 2.86Å; E77-D81 PolarHBondContact O-N 2.68Å
78F97.8Very high95.7Very high36 Ų3638.4 Ų38.416%0.15820%0.195CC..Hα-helixtrans-60.3-43.5176.6166.7-105.7000111.9Y45 I46 K49 E74 I75 T82Y45-F78 HydrophobicContact CD1-CZ 4.09Å; Y45-F78 AromaticContact CE1-CE2 3.93Å; Y45-F78 HydrophobicContact CE1-CE2 3.93Å; Y45-F78 AromaticContact CE1-CZ 3.54Å; Y45-F78 HydrophobicContact CE1-CZ 3.54Å; I46-F78 HydrophobicContact CB-CE1 4.27Å; I46-F78 HydrophobicContact CG1-CE1 4.04Å; I46-F78 HydrophobicContact CG1-CZ 4.47Å; I46-F78 HydrophobicContact CG2-CE1 4.24Å; K49-F78 HydrophobicContact CB-CD1 4.3Å; K49-F78 HydrophobicContact CB-CE1 3.55Å; K49-F78 HydrophobicContact CB-CE2 4.4Å; K49-F78 HydrophobicContact CB-CZ 3.6Å; K49-F78 HydrophobicContact CG-CD1 3.83Å; K49-F78 HydrophobicContact CG-CD2 4.18Å; K49-F78 HydrophobicContact CG-CE1 3.52Å; K49-F78 HydrophobicContact CG-CE2 3.9Å; K49-F78 HydrophobicContact CG-CG 4.15Å; K49-F78 HydrophobicContact CG-CZ 3.55Å; E74-F78 VanDerWaalsContact O-CB 3.24Å; E74-F78 WeakPolarHBondContact O-CB 3.48Å; E74-F78 PolarHBondContact O-N 3.34Å; E74-F78 VanDerWaalsContact O-N 3.11Å; I75-F78 PolarHBondContact O-N 3.45Å; F78-T82 VanDerWaalsContact O-CB 3.31Å; F78-T82 WeakPolarHBondContact O-CB 3.32Å; F78-T82 PolarHBondContact O-N 3.29Å; F78-T82 PolarHBondContact O-OG1 2.79Å
79V98Very high95.5Very high1 Ų139.9 Ų39.91%0.00620%0.2CC..Hα-helixtrans-67.4-41.4176.9174.10000111.3I46 I75 L76 E77 T82 L83 V106 V110 Y190I46-V79 HydrophobicContact CD1-CG1 4.45Å; I46-V79 HydrophobicContact CD1-CG2 4.49Å; I46-V79 HydrophobicContact CG2-CG2 3.61Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.37Å; I75-V79 PolarHBondContact O-N 3.2Å; L76-V79 PolarHBondContact O-N 3.14Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.11Å; V79-T82 PolarHBondContact O-N 3.09Å; V79-L83 HydrophobicContact CG1-CD1 3.94Å; V79-L83 HydrophobicContact CG1-CG 4.28Å; V79-L83 WeakPolarHBondContact O-CB 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.38Å; V79-V106 HydrophobicContact CG1-CG1 3.62Å; V79-V110 HydrophobicContact CB-CG2 4.16Å; V79-V110 HydrophobicContact CG1-CG2 3.63Å; V79-V110 HydrophobicContact CG2-CG2 4.01Å; V79-Y190 HydrophobicContact CG1-CE2 4.02Å
80A97.5Very high95.4Very high22 Ų2239.9 Ų39.918%0.18220%0.2CC..Hα-helixtrans-62.1-44.7178.100000111.8L76 E77 L83 K84 Y190 F193L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.28Å; L76-A80 PolarHBondContact O-N 3.3Å; E77-A80 PolarHBondContact O-N 3.44Å; A80-L83 PolarHBondContact O-N 2.93Å; A80-K84 VanDerWaalsContact O-CB 3.32Å; A80-K84 WeakPolarHBondContact O-CB 3.47Å; A80-K84 PolarHBondContact O-N 3.46Å; A80-Y190 HydrophobicContact CB-CD2 4.42Å; A80-F193 HydrophobicContact CB-CD1 4.02Å; A80-F193 HydrophobicContact CB-CE1 3.83Å; A80-F193 HydrophobicContact CB-CZ 4.45Å
81D96.9Very high95.2Very high84 Ų8440.1 Ų40.145%0.44920%0.199SC..Hα-helixtrans-65.5-44.8176.1-172.157.2000111.6E77 L83 K84 N85E77-D81 WeakPolarHBondContact O-CB 2.86Å; E77-D81 PolarHBondContact O-N 2.68Å; D81-L83 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3.45Å; D81-K84 WeakPolarHBondContact O-CB 3.22Å; D81-K84 PolarHBondContact O-N 3.36Å; D81-N85 WeakPolarHBondContact O-CB 3.37Å; D81-N85 VanDerWaalsContact O-CG 3.3Å; D81-N85 PolarHBondContact O-N 3.24Å; D81-N85 PolarHBondContact O-ND2 3.05Å; D81-N85 PolarHBondContact OD1-ND2 2.8Å; D81-N85 PolarHBondContact OD2-ND2 3.47Å; D81-N85 VanDerWaalsContact OD2-ND2 3.15Å
82T96Very high95Very high10 Ų1044.6 Ų44.66%0.06123%0.226CC..Hα-helixtrans-58.6-45.9175.3-58.60000111.1L42 Y45 I46 F78 V79 N86L42-T82 HydrophobicContact CD2-CG2 4.2Å; Y45-T82 HydrophobicContact CD1-CG2 4.32Å; Y45-T82 HydrophobicContact CE1-CG2 4.36Å; I46-T82 HydrophobicContact CD1-CG2 3.98Å; I46-T82 HydrophobicContact CG1-CG2 4.06Å; F78-T82 VanDerWaalsContact O-CB 3.31Å; F78-T82 WeakPolarHBondContact O-CB 3.32Å; F78-T82 PolarHBondContact O-N 3.29Å; F78-T82 PolarHBondContact O-OG1 2.79Å; V79-T82 PolarHBondContact O-N 3.09Å; T82-N86 WeakPolarHBondContact O-CB 3.34Å; T82-N86 PolarHBondContact O-N 3.4Å; T82-N86 PolarHBondContact O-ND2 3.31Å
83L96.4Very high94.6Very high2 Ų247.8 Ų47.81%0.0124%0.239CC..Hα-helixtrans-63.8-44.8176.9-82.6175000111.6V79 A80 D81 N85 N86 S87 L102 V103 V106 I194V79-L83 HydrophobicContact CG1-CD1 3.94Å; V79-L83 HydrophobicContact CG1-CG 4.28Å; V79-L83 WeakPolarHBondContact O-CB 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.38Å; A80-L83 PolarHBondContact O-N 2.93Å; D81-L83 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3.45Å; L83-N85 PolarHBondContact O-N 2.78Å; L83-N86 PolarHBondContact O-N 3.31Å; L83-S87 WeakPolarHBondContact O-CB 3.28Å; L83-S87 PolarHBondContact O-N 3.48Å; L83-S87 PolarHBondContact O-OG 3.36Å; L83-L102 HydrophobicContact CD2-CG 4.29Å; L83-V103 HydrophobicContact CD2-CG2 4.2Å; L83-V106 HydrophobicContact CD1-CB 4.49Å; L83-V106 HydrophobicContact CD1-CG1 3.93Å; L83-V106 HydrophobicContact CD2-CB 3.87Å; L83-V106 HydrophobicContact CD2-CG1 3.88Å; L83-V106 HydrophobicContact CD2-CG2 3.89Å; L83-V106 HydrophobicContact CG-CB 4.42Å; L83-V106 HydrophobicContact CG-CG1 3.89Å; L83-I194 HydrophobicContact CD1-CG2 4.13Å
84K94.7Very high94.3Very high117 Ų11746.7 Ų46.751%0.50923%0.233SC..Hα-helixtrans-56.3-50.1177.9-178.3-175.9176-173.80111.3A80 D81 N86 S87 F193A80-K84 VanDerWaalsContact O-CB 3.32Å; A80-K84 WeakPolarHBondContact O-CB 3.47Å; A80-K84 PolarHBondContact O-N 3.46Å; D81-K84 WeakPolarHBondContact O-CB 3.22Å; D81-K84 PolarHBondContact O-N 3.36Å; K84-N86 PolarHBondContact O-N 3.37Å; K84-S87 PolarHBondContact O-OG 3.26Å; K84-F193 HydrophobicContact CB-CZ 4.31Å
85N92.6Very high93.9Very high67 Ų6743.4 Ų43.436%0.35822%0.223SC..Hα-helixtrans-70.1-31.1-177.7-65.1-27000113D81 L83 M88D81-N85 WeakPolarHBondContact O-CB 3.37Å; D81-N85 VanDerWaalsContact O-CG 3.3Å; D81-N85 PolarHBondContact O-N 3.24Å; D81-N85 PolarHBondContact O-ND2 3.05Å; D81-N85 PolarHBondContact OD1-ND2 2.8Å; D81-N85 PolarHBondContact OD2-ND2 3.47Å; D81-N85 VanDerWaalsContact OD2-ND2 3.15Å; L83-N85 PolarHBondContact O-N 2.78Å; N85-M88 WeakPolarHBondContact O-CG 3.24Å
86N92.6Very high93.6Very high26 Ų2646.2 Ų46.214%0.13924%0.241CC..Hα-helixtrans-91.6-28.7-177.8-75.2-79.4000113.7F38 L42 T82 L83 K84 M88 H89 V90F38-N86 HydrophobicContact CE1-CB 4Å; F38-N86 HydrophobicContact CZ-CB 3.96Å; F38-N86 WeakPolarHBondContact CZ-OD1 3.48Å; L42-N86 HydrophobicContact CD1-CB 3.64Å; L42-N86 HydrophobicContact CD2-CB 4.34Å; T82-N86 WeakPolarHBondContact O-CB 3.34Å; T82-N86 PolarHBondContact O-N 3.4Å; T82-N86 PolarHBondContact O-ND2 3.31Å; L83-N86 PolarHBondContact O-N 3.31Å; K84-N86 PolarHBondContact O-N 3.37Å; N86-M88 VanDerWaalsContact C-N 3.32Å; N86-M88 PolarHBondContact O-N 3.26Å; N86-H89 WeakPolarHBondContact O-CB 3.31Å; N86-H89 PolarHBondContact O-N 3.03Å; N86-H89 VanDerWaalsContact O-N 3.13Å; N86-V90 PolarHBondContact O-N 3.22Å
87S91.6Very high93.3Very high0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-72.3-24.7177.752.60000113L83 K84 H89 V90 E91 R197L83-S87 WeakPolarHBondContact O-CB 3.28Å; L83-S87 PolarHBondContact O-N 3.48Å; L83-S87 PolarHBondContact O-OG 3.36Å; K84-S87 PolarHBondContact O-OG 3.26Å; S87-H89 PolarHBondContact O-N 2.94Å; S87-V90 PolarHBondContact O-N 3.03Å; S87-E91 WeakPolarHBondContact O-CB 3.25Å; S87-E91 PolarHBondContact O-N 2.64Å; S87-R197 PolarHBondContact OG-NE 3.23Å; S87-R197 PolarHBondContact OG-NH2 3.17Å
88M91.2Very high93Very high90 Ų9042.3 Ų42.344%0.44323%0.229SC..Hα-helixtrans-60-32.5167.552.4175.4-81.900112.1N85 N86 T92N85-M88 WeakPolarHBondContact O-CG 3.24Å; N86-M88 VanDerWaalsContact C-N 3.32Å; N86-M88 PolarHBondContact O-N 3.26Å; M88-T92 VanDerWaalsContact O-CB 3.28Å; M88-T92 WeakPolarHBondContact O-CB 3.46Å; M88-T92 PolarHBondContact O-N 3.29Å; M88-T92 PolarHBondContact O-OG1 2.95Å
89H90.4Very high92.9Very high47 Ų4740.8 Ų40.822%0.21822%0.222CC..Hα-helixtrans-70.9-40.3174.4-60.3-45000111.8V19 L22 N86 S87 T92 Y93V19-H89 HydrophobicContact CG1-CB 4.2Å; L22-H89 HydrophobicContact CD2-CB 4.43Å; N86-H89 WeakPolarHBondContact O-CB 3.31Å; N86-H89 PolarHBondContact O-N 3.03Å; N86-H89 VanDerWaalsContact O-N 3.13Å; S87-H89 PolarHBondContact O-N 2.94Å; H89-T92 PolarHBondContact O-N 3.47Å; H89-Y93 HydrophobicContact CB-CD2 4.25Å; H89-Y93 HydrophobicContact CB-CE2 4.31Å; H89-Y93 WeakPolarHBondContact O-CB 3.34Å; H89-Y93 WeakPolarHBondContact O-CD2 3.5Å; H89-Y93 PolarHBondContact O-N 2.97Å
90V92.6Very high92.8Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-63-46.4174.9179.30000110.6L22 F38 N86 S87 T92 Y93 C94 G95 N98 I99 L102L22-V90 HydrophobicContact CD2-CG2 4.07Å; F38-V90 HydrophobicContact CD1-CG2 4.12Å; F38-V90 HydrophobicContact CE1-CG2 4.06Å; N86-V90 PolarHBondContact O-N 3.22Å; S87-V90 PolarHBondContact O-N 3.03Å; V90-T92 PolarHBondContact O-N 3.18Å; V90-Y93 PolarHBondContact O-N 3.02Å; V90-C94 HydrophobicContact CG1-CB 4.11Å; V90-C94 WeakPolarHBondContact O-CA 3.5Å; V90-C94 WeakPolarHBondContact O-CB 3.48Å; V90-C94 PolarHBondContact O-N 2.74Å; V90-G95 PolarHBondContact O-N 3.04Å; V90-N98 HydrophobicContact CG1-CB 3.96Å; V90-I99 HydrophobicContact CG1-CG1 4.49Å; V90-L102 HydrophobicContact CG2-CD2 3.72Å
91E90.8Very high92.6Very high75 Ų7541.5 Ų41.535%0.3523%0.229SC..Hα-helixtrans-60.1-45.4177.1-170.3177.9178.300111.4S87 G95 I99S87-E91 WeakPolarHBondContact O-CB 3.25Å; S87-E91 PolarHBondContact O-N 2.64Å; E91-G95 WeakPolarHBondContact O-CA 3.44Å; E91-G95 PolarHBondContact O-N 3.33Å; E91-I99 HydrophobicContact CB-CD1 4.46Å
92T91Very high92.5Very high100 Ų10037.5 Ų37.561%0.61321%0.208SC*.Hα-helixtrans-66-42.6-179.3-590000113M88 H89 V90M88-T92 VanDerWaalsContact O-CB 3.28Å; M88-T92 WeakPolarHBondContact O-CB 3.46Å; M88-T92 PolarHBondContact O-N 3.29Å; M88-T92 PolarHBondContact O-OG1 2.95Å; H89-T92 PolarHBondContact O-N 3.47Å; V90-T92 PolarHBondContact O-N 3.18Å
93Y89.6Confident92.5Very high68 Ų6837 Ų3727%0.26721%0.205SC..Hα-helixtrans-100.5-32.1-170.9-62.2-52.1000114.2V19 L22 K23 F26 H89 V90V19-Y93 HydrophobicContact CG1-CD2 4.29Å; V19-Y93 HydrophobicContact CG1-CE2 3.51Å; L22-Y93 HydrophobicContact CD2-CD2 4.46Å; K23-Y93 HydrophobicContact CB-CD1 3.77Å; K23-Y93 HydrophobicContact CB-CD2 4.44Å; K23-Y93 HydrophobicContact CB-CE1 4.14Å; K23-Y93 HydrophobicContact CB-CG 3.93Å; K23-Y93 HydrophobicContact CD-CD1 3.93Å; K23-Y93 HydrophobicContact CD-CE1 3.78Å; K23-Y93 HydrophobicContact CG-CD1 3.75Å; K23-Y93 HydrophobicContact CG-CE1 4.12Å; K23-Y93 HydrophobicContact CG-CG 4.36Å; F26-Y93 WeakPolarHBondContact CB-O 3.14Å; F26-Y93 WeakPolarHBondContact CD1-O 3.29Å; F26-Y93 VanDerWaalsContact CD2-O 3.29Å; F26-Y93 WeakPolarHBondContact CD2-O 3.3Å; F26-Y93 WeakPolarHBondContact CG-O 3.5Å; H89-Y93 HydrophobicContact CB-CD2 4.25Å; H89-Y93 HydrophobicContact CB-CE2 4.31Å; H89-Y93 WeakPolarHBondContact O-CB 3.34Å; H89-Y93 WeakPolarHBondContact O-CD2 3.5Å; H89-Y93 PolarHBondContact O-N 2.97Å; V90-Y93 PolarHBondContact O-N 3.02Å
94C89.8Confident92.5Very high7 Ų738 Ų385%0.04721%0.213CC..Hα-helixtrans-99.7-19.4-177-54.70000112.8F26 T31 V90 N98F26-C94 WeakPolarHBondContact CE2-O 3.48Å; T31-C94 HydrophobicContact CG2-CB 3.73Å; V90-C94 HydrophobicContact CG1-CB 4.11Å; V90-C94 WeakPolarHBondContact O-CA 3.5Å; V90-C94 WeakPolarHBondContact O-CB 3.48Å; V90-C94 PolarHBondContact O-N 2.74Å; C94-N98 HydrophobicContact CB-CB 4.14Å; C94-N98 PolarHBondContact O-ND2 3.34Å
95G88.4Confident92.6Very high21 Ų2134.5 Ų34.522%0.21620%0.202CC..  trans82174.8-17500000113.6V90 E91 N98V90-G95 PolarHBondContact O-N 3.04Å; E91-G95 WeakPolarHBondContact O-CA 3.44Å; E91-G95 PolarHBondContact O-N 3.33Å; G95-N98 PolarHBondContact O-ND2 3.13Å
96P91.6Very high92.8Very high59 Ų5931.3 Ų31.338%0.38319%0.185SC..THydrogen-bonded Turntrans-68.3153.6-172.729.3-36.2000112.9D201 Q204P96-D201 WeakPolarHBondContact CA-OD1 3.46Å; P96-Q204 HydrophobicContact CB-CB 3.96Å
97G91.6Very high93.1Very high19 Ų1930 Ų3020%0.19618%0.179CC..THydrogen-bonded Turntrans88.21.6178.700000114.6D201G97-D201 WeakPolarHBondContact CA-OD2 3.4Å; G97-D201 PolarHBondContact N-OD1 3.15Å; G97-D201 PolarHBondContact N-OD2 3.23Å
98N92Very high93.3Very high37 Ų3733.4 Ų33.420%0.19820%0.202CC..  trans-103.2-8.4-175.7-70.2-61.3000113.8I35 V90 C94 G95 F100 D201I35-N98 HydrophobicContact CD1-CB 3.72Å; V90-N98 HydrophobicContact CG1-CB 3.96Å; C94-N98 HydrophobicContact CB-CB 4.14Å; C94-N98 PolarHBondContact O-ND2 3.34Å; G95-N98 PolarHBondContact O-ND2 3.13Å; N98-F100 VanDerWaalsContact C-N 3.26Å; N98-F100 PolarHBondContact O-N 2.82Å; N98-D201 PolarHBondContact N-OD2 3.04Å; N98-D201 VanDerWaalsContact N-OD2 3.13Å
99I95Very high93.6Very high4 Ų429.9 Ų29.92%0.02119%0.185CC..Hα-helixtrans-66.7-32.2-176.3-65.2-176.6000111.1V90 E91 G101 L102 V103 D201V90-I99 HydrophobicContact CG1-CG1 4.49Å; E91-I99 HydrophobicContact CB-CD1 4.46Å; I99-G101 VanDerWaalsContact C-N 3.32Å; I99-G101 PolarHBondContact O-N 3.5Å; I99-L102 PolarHBondContact O-N 3.14Å; I99-L102 VanDerWaalsContact O-N 3.17Å; I99-V103 HydrophobicContact CG2-CG2 3.64Å; I99-V103 WeakPolarHBondContact O-CG2 3.28Å; I99-V103 PolarHBondContact O-N 2.68Å; I99-D201 HydrophobicContact CB-CB 4.13Å; I99-D201 VanDerWaalsContact CB-OD2 3.28Å; I99-D201 WeakPolarHBondContact CB-OD2 3.32Å; I99-D201 HydrophobicContact CD1-CB 3.89Å; I99-D201 HydrophobicContact CG1-CB 4.18Å; I99-D201 PolarHBondContact N-OD2 3.23Å
100F95.6Very high94Very high9 Ų927.7 Ų27.74%0.03918%0.175CC..Hα-helixtrans-55.6-42.8-178.8177.5-116.3000113.1N98 L102 V103 S104 I198 E218 I219 F222N98-F100 VanDerWaalsContact C-N 3.26Å; N98-F100 PolarHBondContact O-N 2.82Å; F100-L102 VanDerWaalsContact C-N 3.31Å; F100-L102 PolarHBondContact O-N 3.43Å; F100-V103 PolarHBondContact O-N 3.5Å; F100-S104 WeakPolarHBondContact O-CB 3.22Å; F100-S104 PolarHBondContact O-N 3.27Å; F100-S104 PolarHBondContact O-OG 2.96Å; F100-S104 VanDerWaalsContact O-OG 3.12Å; F100-I198 HydrophobicContact CB-CG2 4.23Å; F100-I198 HydrophobicContact CD2-CD1 3.92Å; F100-I198 HydrophobicContact CD2-CG1 4.41Å; F100-I198 HydrophobicContact CD2-CG2 4.2Å; F100-E218 HydrophobicContact CE1-CG 4.12Å; F100-E218 WeakPolarHBondContact CE1-OE1 3.28Å; F100-I219 HydrophobicContact CD1-CG1 4.18Å; F100-I219 HydrophobicContact CD2-CD1 4.37Å; F100-I219 HydrophobicContact CD2-CG1 3.63Å; F100-I219 HydrophobicContact CE1-CG1 4.14Å; F100-I219 HydrophobicContact CE2-CB 4.25Å; F100-I219 HydrophobicContact CE2-CG1 3.58Å; F100-I219 HydrophobicContact CE2-CG2 4.37Å; F100-I219 HydrophobicContact CG-CD1 4.39Å; F100-I219 HydrophobicContact CG-CG1 3.92Å; F100-I219 HydrophobicContact CZ-CG1 3.84Å; F100-F222 HydrophobicContact CE2-CB 4.19Å; F100-F222 AromaticContact CE2-CD1 3.98Å; F100-F222 HydrophobicContact CE2-CD1 3.98Å; F100-F222 HydrophobicContact CE2-CG 4.05Å; F100-F222 HydrophobicContact CZ-CB 3.86Å; F100-F222 HydrophobicContact CZ-CD1 4.38Å; F100-F222 HydrophobicContact CZ-CD2 4.48Å; F100-F222 AromaticContact CZ-CG 3.98Å; F100-F222 HydrophobicContact CZ-CG 3.98Å
101G93.4Very high94.3Very high29 Ų2928.7 Ų28.730%0.29918%0.18SC..Hα-helixtrans-65.4-32.6-178.700000113.9I99 S104 S105I99-G101 VanDerWaalsContact C-N 3.32Å; I99-G101 PolarHBondContact O-N 3.5Å; G101-S104 PolarHBondContact O-OG 3.42Å; G101-S104 VanDerWaalsContact O-OG 3.13Å; G101-S105 PolarHBondContact O-OG 3.4Å
102L95.3Very high94.6Very high0 Ų032.8 Ų32.80%019%0.192CC..Hα-helixtrans-71.4-51172.2171.661.5000110.9I35 F38 S39 L42 L83 V90 I99 F100 S104 S105 V106I35-L102 HydrophobicContact CG2-CB 4.42Å; F38-L102 HydrophobicContact CD1-CD1 4.31Å; F38-L102 HydrophobicContact CD1-CD2 4.45Å; F38-L102 HydrophobicContact CE1-CD2 4.25Å; S39-L102 WeakPolarHBondContact OG-CA 3.45Å; S39-L102 WeakPolarHBondContact OG-CD1 3.39Å; L42-L102 HydrophobicContact CD1-CD1 3.57Å; L42-L102 HydrophobicContact CD1-CD2 4.3Å; L83-L102 HydrophobicContact CD2-CG 4.29Å; V90-L102 HydrophobicContact CG2-CD2 3.72Å; I99-L102 PolarHBondContact O-N 3.14Å; I99-L102 VanDerWaalsContact O-N 3.17Å; F100-L102 VanDerWaalsContact C-N 3.31Å; F100-L102 PolarHBondContact O-N 3.43Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.02Å; L102-S105 PolarHBondContact O-N 2.87Å; L102-V106 HydrophobicContact CD1-CG2 4.08Å; L102-V106 PolarHBondContact O-N 3.22Å; L102-V106 VanDerWaalsContact O-N 3.11Å
103V96.6Very high94.9Very high1 Ų128.4 Ų28.41%0.00617%0.165CC..Hα-helixtrans-62.5-41.9-176.7174.30000111L83 I99 F100 S105 V106 H107 I194 I198L83-V103 HydrophobicContact CD2-CG2 4.2Å; I99-V103 HydrophobicContact CG2-CG2 3.64Å; I99-V103 WeakPolarHBondContact O-CG2 3.28Å; I99-V103 PolarHBondContact O-N 2.68Å; F100-V103 PolarHBondContact O-N 3.5Å; V103-S105 VanDerWaalsContact C-N 3.31Å; V103-S105 PolarHBondContact O-N 2.79Å; V103-V106 PolarHBondContact O-N 2.91Å; V103-H107 WeakPolarHBondContact O-CB 3.49Å; V103-H107 PolarHBondContact O-N 3.1Å; V103-I194 HydrophobicContact CG1-CB 4.03Å; V103-I194 HydrophobicContact CG1-CG2 4.25Å; V103-I198 HydrophobicContact CB-CD1 4.14Å; V103-I198 HydrophobicContact CB-CG1 4.34Å; V103-I198 HydrophobicContact CG1-CD1 3.72Å; V103-I198 HydrophobicContact CG1-CG1 4.31Å; V103-I198 HydrophobicContact CG2-CG1 4.39Å
104S96.7Very high95.3Very high23 Ų2325.2 Ų25.216%0.16115%0.152CC..Hα-helixtrans-60.7-41179.864.10000112F100 G101 L102 C108F100-S104 WeakPolarHBondContact O-CB 3.22Å; F100-S104 PolarHBondContact O-N 3.27Å; F100-S104 PolarHBondContact O-OG 2.96Å; F100-S104 VanDerWaalsContact O-OG 3.12Å; G101-S104 PolarHBondContact O-OG 3.42Å; G101-S104 VanDerWaalsContact O-OG 3.13Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.02Å; S104-C108 PolarHBondContact O-N 3.36Å; S104-C108 PolarHBondContact O-SG 3.46Å
105S96.3Very high95.6Very high42 Ų4228.4 Ų28.429%0.29417%0.165SC..Hα-helixtrans-66.4-46.2178.2-58.90000111.8C43 G101 L102 V103 C108C43-S105 VanDerWaalsContact SG-C 3.58Å; C43-S105 PolarHBondContact SG-O 3.03Å; C43-S105 VanDerWaalsContact SG-O 3.36Å; G101-S105 PolarHBondContact O-OG 3.4Å; L102-S105 PolarHBondContact O-N 2.87Å; V103-S105 VanDerWaalsContact C-N 3.31Å; V103-S105 PolarHBondContact O-N 2.79Å; S105-C108 WeakPolarHBondContact O-CB 3.41Å; S105-C108 PolarHBondContact O-N 2.96Å
106V97.6Very high96Very high0 Ų029.2 Ų29.20%017%0.167CC..Hα-helixtrans-68.2-37.3178.3171.50000111.5L42 I46 V79 L83 L102 V103 C108 V109 V110L42-V106 HydrophobicContact CB-CG2 4.39Å; I46-V106 HydrophobicContact CD1-CB 4.42Å; I46-V106 HydrophobicContact CD1-CG1 3.45Å; I46-V106 VanDerWaalsContact CD1-CG1 3.45Å; I46-V106 HydrophobicContact CD1-CG2 4.11Å; V79-V106 HydrophobicContact CG1-CG1 3.62Å; L83-V106 HydrophobicContact CD1-CB 4.49Å; L83-V106 HydrophobicContact CD1-CG1 3.93Å; L83-V106 HydrophobicContact CD2-CB 3.87Å; L83-V106 HydrophobicContact CD2-CG1 3.88Å; L83-V106 HydrophobicContact CD2-CG2 3.89Å; L83-V106 HydrophobicContact CG-CB 4.42Å; L83-V106 HydrophobicContact CG-CG1 3.89Å; L102-V106 HydrophobicContact CD1-CG2 4.08Å; L102-V106 PolarHBondContact O-N 3.22Å; L102-V106 VanDerWaalsContact O-N 3.11Å; V103-V106 PolarHBondContact O-N 2.91Å; V106-C108 VanDerWaalsContact C-N 3.3Å; V106-C108 PolarHBondContact O-N 3.34Å; V106-V109 WeakPolarHBondContact O-CA 3.32Å; V106-V109 VanDerWaalsContact O-CB 3.23Å; V106-V109 WeakPolarHBondContact O-CB 3.5Å; V106-V109 PolarHBondContact O-N 2.93Å; V106-V110 PolarHBondContact O-N 2.82Å
107H97.8Very high96.2Very high0 Ų026.6 Ų26.60%015%0.15CC..Hα-helixtrans-63.2-34.8178.6-173.876.9000112.2V103 V109 V110 D111 Y190 I194 F222 S226V103-H107 WeakPolarHBondContact O-CB 3.49Å; V103-H107 PolarHBondContact O-N 3.1Å; H107-V109 PolarHBondContact O-N 3.3Å; H107-V110 WeakPolarHBondContact O-CA 3.17Å; H107-V110 WeakPolarHBondContact O-CB 3.48Å; H107-V110 PolarHBondContact O-N 3.01Å; H107-D111 IonicContact CD2-OD1 2.76Å; H107-D111 IonicContact CD2-OD2 3.24Å; H107-D111 IonicContact CE1-OD1 2.69Å; H107-D111 IonicContact NE2-OD1 3.42Å; H107-D111 PolarHBondContact NE2-OD1 3.23Å; H107-D111 PolarHBondContact O-N 3.48Å; H107-Y190 AromaticContact CE1-CE1 3.9Å; H107-Y190 AromaticContact ND1-CE1 3.51Å; H107-I194 WeakPolarHBondContact ND1-CD1 3.49Å; H107-F222 HydrophobicContact CB-CE1 4.16Å; H107-F222 HydrophobicContact CB-CZ 3.92Å; H107-F222 AromaticContact CD2-CE1 3.58Å; H107-F222 AromaticContact CD2-CZ 3.55Å; H107-F222 AromaticContact CG-CE1 3.99Å; H107-S226 PolarHBondContact NE2-OG 2.91Å
108C97.2Very high96.5Very high71 Ų7125.8 Ų25.848%0.4814%0.141SC..Hα-helixtrans-59-31170.7-680000113.1S104 S105 V106 R112S104-C108 PolarHBondContact O-N 3.36Å; S104-C108 PolarHBondContact O-SG 3.46Å; S105-C108 WeakPolarHBondContact O-CB 3.41Å; S105-C108 PolarHBondContact O-N 2.96Å; V106-C108 VanDerWaalsContact C-N 3.3Å; V106-C108 PolarHBondContact O-N 3.34Å; C108-R112 PolarHBondContact O-N 3.18Å
109V97.4Very high96.6Very high16 Ų1628.8 Ų28.810%0.09715%0.154CC..Hα-helixtrans-72.1-41.5174.8-177.80000110.3C43 I46 S47 V106 H107 R112 Y113C43-V109 HydrophobicContact CB-CG2 3.67Å; I46-V109 HydrophobicContact CG2-CG1 3.83Å; S47-V109 WeakPolarHBondContact OG-CG1 3.31Å; V106-V109 WeakPolarHBondContact O-CA 3.32Å; V106-V109 VanDerWaalsContact O-CB 3.23Å; V106-V109 WeakPolarHBondContact O-CB 3.5Å; V106-V109 PolarHBondContact O-N 2.93Å; H107-V109 PolarHBondContact O-N 3.3Å; V109-R112 PolarHBondContact O-N 2.96Å; V109-Y113 HydrophobicContact CG1-CD2 3.58Å; V109-Y113 HydrophobicContact CG1-CE2 3.52Å; V109-Y113 VanDerWaalsContact O-CD2 3.24Å; V109-Y113 WeakPolarHBondContact O-CD2 3.33Å; V109-Y113 PolarHBondContact O-N 3.37Å
110V98.2Very high96.6Very high1 Ų132.8 Ų32.81%0.00617%0.169CC..Hα-helixtrans-59.6-49.9173.7177.70000111L76 V79 V106 H107 R112 Y113 V114 Y190 L228L76-V110 HydrophobicContact CD2-CG1 3.52Å; V79-V110 HydrophobicContact CB-CG2 4.16Å; V79-V110 HydrophobicContact CG1-CG2 3.63Å; V79-V110 HydrophobicContact CG2-CG2 4.01Å; V106-V110 PolarHBondContact O-N 2.82Å; H107-V110 WeakPolarHBondContact O-CA 3.17Å; H107-V110 WeakPolarHBondContact O-CB 3.48Å; H107-V110 PolarHBondContact O-N 3.01Å; V110-R112 PolarHBondContact O-N 3.39Å; V110-Y113 PolarHBondContact O-N 2.85Å; V110-Y113 VanDerWaalsContact O-N 3.17Å; V110-V114 HydrophobicContact CG1-CG2 3.66Å; V110-V114 WeakPolarHBondContact O-CB 3.32Å; V110-V114 WeakPolarHBondContact O-CG2 3.23Å; V110-V114 PolarHBondContact O-N 3.28Å; V110-Y190 HydrophobicContact CB-CE1 4.44Å; V110-Y190 HydrophobicContact CG1-CD1 4.5Å; V110-Y190 HydrophobicContact CG1-CE1 3.92Å; V110-Y190 HydrophobicContact CG2-CE1 4.37Å; V110-Y190 WeakPolarHBondContact CG2-OH 3.45Å; V110-L228 HydrophobicContact CG1-CD2 4.05Å
111D97.9Very high96.5Very high21 Ų2132.3 Ų32.311%0.11217%0.167CC..Hα-helixtrans-49.5-44175.8-88.5-3000111.2H107 K115 S226 Q227 L228H107-D111 IonicContact CD2-OD1 2.76Å; H107-D111 IonicContact CD2-OD2 3.24Å; H107-D111 IonicContact CE1-OD1 2.69Å; H107-D111 IonicContact NE2-OD1 3.42Å; H107-D111 PolarHBondContact NE2-OD1 3.23Å; H107-D111 PolarHBondContact O-N 3.48Å; D111-K115 WeakPolarHBondContact O-CB 3.37Å; D111-K115 PolarHBondContact O-N 3.07Å; D111-S226 PolarHBondContact OD1-OG 3.03Å; D111-S226 PolarHBondContact OD2-OG 3.31Å; D111-Q227 HydrophobicContact CB-CB 3.83Å; D111-Q227 PolarHBondContact OD1-N 2.93Å; D111-Q227 PolarHBondContact OD2-N 3.24Å; D111-L228 WeakPolarHBondContact OD1-CB 3.44Å; D111-L228 PolarHBondContact OD1-N 3.47Å
112R97.5Very high96.6Very high160 Ų16032.2 Ų32.260%0.60416%0.158SC*.Hα-helixtrans-67.5-50.5178.7178.5-179.7172.5-169.9-7.2113C108 V109 V110 C116C108-R112 PolarHBondContact O-N 3.18Å; V109-R112 PolarHBondContact O-N 2.96Å; V110-R112 PolarHBondContact O-N 3.39Å; R112-C116 PolarHBondContact O-N 3.42Å
113Y97.5Very high96.6Very high9 Ų935.2 Ų35.24%0.03518%0.183CC..Hα-helixtrans-78-40.5-172.3-74.3-70.1000112.7S47 C50 E51 I54 V109 V110 K115 C116 V117S47-Y113 WeakPolarHBondContact CA-OH 3.38Å; S47-Y113 VanDerWaalsContact CB-OH 3.23Å; S47-Y113 WeakPolarHBondContact CB-OH 3.43Å; S47-Y113 PolarHBondContact O-OH 3.28Å; C50-Y113 HydrophobicContact CB-CD1 3.74Å; C50-Y113 HydrophobicContact CB-CD2 3.65Å; C50-Y113 HydrophobicContact CB-CE1 3.96Å; C50-Y113 HydrophobicContact CB-CE2 3.9Å; C50-Y113 HydrophobicContact CB-CG 3.58Å; E51-Y113 HydrophobicContact CG-CE1 3.66Å; E51-Y113 WeakPolarHBondContact CG-OH 3.42Å; E51-Y113 PolarHBondContact OE1-OH 3.4Å; I54-Y113 HydrophobicContact CD1-CD1 3.58Å; I54-Y113 HydrophobicContact CD1-CE1 4.33Å; I54-Y113 HydrophobicContact CD1-CG 4.48Å; V109-Y113 HydrophobicContact CG1-CD2 3.58Å; V109-Y113 HydrophobicContact CG1-CE2 3.52Å; V109-Y113 VanDerWaalsContact O-CD2 3.24Å; V109-Y113 WeakPolarHBondContact O-CD2 3.33Å; V109-Y113 PolarHBondContact O-N 3.37Å; V110-Y113 PolarHBondContact O-N 2.85Å; V110-Y113 VanDerWaalsContact O-N 3.17Å; Y113-K115 VanDerWaalsContact C-N 3.28Å; Y113-K115 PolarHBondContact O-N 3.32Å; Y113-C116 WeakPolarHBondContact O-CB 3.46Å; Y113-C116 PolarHBondContact O-N 2.83Å; Y113-V117 PolarHBondContact O-N 3.48Å
114V97.8Very high96.3Very high1 Ų143.7 Ų43.71%0.00622%0.216CC..Hα-helixtrans-62.8-40.9173.6178.80000109.7I72 I75 L76 V110 C116 V117 V118 L228I72-V114 HydrophobicContact CD1-CG1 4.19Å; I72-V114 HydrophobicContact CG1-CG1 4.39Å; I72-V114 HydrophobicContact CG2-CG1 4.29Å; I75-V114 HydrophobicContact CG2-CG2 4.46Å; L76-V114 HydrophobicContact CD2-CG2 3.95Å; L76-V114 HydrophobicContact CG-CG2 4.46Å; V110-V114 HydrophobicContact CG1-CG2 3.66Å; V110-V114 WeakPolarHBondContact O-CB 3.32Å; V110-V114 WeakPolarHBondContact O-CG2 3.23Å; V110-V114 PolarHBondContact O-N 3.28Å; V114-C116 VanDerWaalsContact C-N 3.3Å; V114-C116 PolarHBondContact O-N 2.92Å; V114-V117 PolarHBondContact O-N 3.21Å; V114-V118 HydrophobicContact CG1-CG2 3.99Å; V114-V118 WeakPolarHBondContact O-CG2 3.31Å; V114-V118 PolarHBondContact O-N 3.08Å; V114-L228 HydrophobicContact CB-CD1 4.18Å; V114-L228 HydrophobicContact CG1-CD1 3.61Å
115K97.1Very high96.1Very high74 Ų7444.4 Ų44.432%0.32222%0.216SC..Hα-helixtrans-55.2-46.8174.3174.9176.6177173.50113D111 Y113 V117 V118 E119 Q227 Q231D111-K115 WeakPolarHBondContact O-CB 3.37Å; D111-K115 PolarHBondContact O-N 3.07Å; Y113-K115 VanDerWaalsContact C-N 3.28Å; Y113-K115 PolarHBondContact O-N 3.32Å; K115-V117 VanDerWaalsContact C-N 3.26Å; K115-V117 PolarHBondContact O-N 3.35Å; K115-V118 PolarHBondContact O-N 3.2Å; K115-E119 WeakPolarHBondContact CE-OE1 3.49Å; K115-E119 HydrophobicContact CG-CG 4.18Å; K115-E119 IonicContact NZ-OE1 3.72Å; K115-E119 WeakPolarHBondContact O-CB 3.18Å; K115-E119 WeakPolarHBondContact O-CG 3.39Å; K115-E119 PolarHBondContact O-N 2.87Å; K115-Q227 HydrophobicContact CB-CG 4.22Å; K115-Q227 HydrophobicContact CD-CG 3.88Å; K115-Q227 HydrophobicContact CG-CG 4.45Å; K115-Q231 VanDerWaalsContact CA-NE2 3.33Å; K115-Q231 VanDerWaalsContact CA-OE1 3.24Å
116C96Very high95.8Very high38 Ų3847.7 Ų47.726%0.25723%0.227SC..Hα-helixtrans-59.3-36.5178.8-172.40000112.8R112 Y113 V114 R120R112-C116 PolarHBondContact O-N 3.42Å; Y113-C116 WeakPolarHBondContact O-CB 3.46Å; Y113-C116 PolarHBondContact O-N 2.83Å; V114-C116 VanDerWaalsContact C-N 3.3Å; V114-C116 PolarHBondContact O-N 2.92Å; C116-R120 WeakPolarHBondContact O-CG 3.5Å; C116-R120 PolarHBondContact O-N 3.43Å; C116-R120 VanDerWaalsContact SG-CZ 3.54Å; C116-R120 PolarHBondContact SG-NH2 3.27Å
117V96.4Very high95.6Very high4 Ų447.7 Ų47.72%0.02423%0.227CC..Hα-helixtrans-76.2-43.6177.9-176.10000111.2I54 L71 I72 I75 Y113 V114 K115 E119 R120 F121I54-V117 HydrophobicContact CD1-CG2 4.36Å; I54-V117 HydrophobicContact CG1-CG2 4.31Å; L71-V117 HydrophobicContact CD2-CG1 4.04Å; L71-V117 HydrophobicContact CD2-CG2 3.68Å; L71-V117 HydrophobicContact CG-CG1 4.44Å; L71-V117 HydrophobicContact CG-CG2 4.11Å; I72-V117 HydrophobicContact CD1-CB 4.1Å; I72-V117 HydrophobicContact CD1-CG1 3.85Å; I72-V117 HydrophobicContact CG1-CB 3.86Å; I72-V117 HydrophobicContact CG1-CG1 3.65Å; I72-V117 HydrophobicContact CG1-CG2 4.49Å; I75-V117 HydrophobicContact CD1-CG2 4.12Å; Y113-V117 PolarHBondContact O-N 3.48Å; V114-V117 PolarHBondContact O-N 3.21Å; K115-V117 VanDerWaalsContact C-N 3.26Å; K115-V117 PolarHBondContact O-N 3.35Å; V117-E119 PolarHBondContact O-N 3.31Å; V117-R120 WeakPolarHBondContact O-CB 3.23Å; V117-R120 PolarHBondContact O-N 2.79Å; V117-F121 PolarHBondContact O-N 3.08Å
118V96.8Very high95.3Very high1 Ų152.1 Ų52.11%0.00625%0.251CS..Hα-helixtrans-62.2-41.9177.8172.80000111.9I72 V114 K115 R120 F121 Y122 I183 L235I72-V118 HydrophobicContact CD1-CG2 3.79Å; V114-V118 HydrophobicContact CG1-CG2 3.99Å; V114-V118 WeakPolarHBondContact O-CG2 3.31Å; V114-V118 PolarHBondContact O-N 3.08Å; K115-V118 PolarHBondContact O-N 3.2Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.43Å; V118-F121 WeakPolarHBondContact O-CB 3.44Å; V118-F121 PolarHBondContact O-N 3.25Å; V118-F121 VanDerWaalsContact O-N 3.17Å; V118-Y122 HydrophobicContact CG1-CD1 4.28Å; V118-Y122 HydrophobicContact CG1-CD2 4.4Å; V118-Y122 HydrophobicContact CG1-CE1 3.81Å; V118-Y122 HydrophobicContact CG1-CE2 3.95Å; V118-Y122 PolarHBondContact O-N 3.1Å; V118-I183 HydrophobicContact CG2-CG2 4.41Å; V118-L235 HydrophobicContact CG1-CD1 4.43Å; V118-L235 HydrophobicContact CG2-CD1 4.37Å
119E95.4Very high95Very high100 Ų10054.5 Ų54.547%0.46726%0.255SS..Hα-helixtrans-62.6-35.8176.2-74.3176.6160.900112.1K115 V117 A123K115-E119 WeakPolarHBondContact CE-OE1 3.49Å; K115-E119 HydrophobicContact CG-CG 4.18Å; K115-E119 IonicContact NZ-OE1 3.72Å; K115-E119 WeakPolarHBondContact O-CB 3.18Å; K115-E119 WeakPolarHBondContact O-CG 3.39Å; K115-E119 PolarHBondContact O-N 2.87Å; V117-E119 PolarHBondContact O-N 3.31Å; E119-A123 WeakPolarHBondContact O-CB 3.24Å; E119-A123 PolarHBondContact O-N 2.9Å
120R93.7Very high94.7Very high88 Ų8854.9 Ų54.933%0.33226%0.256SS..Hα-helixtrans-69-40173.4-72.3175.5-171.8150.48.6112K58 C116 V117 V118 Y122 A123 Y124K58-R120 VanDerWaalsContact CE-CZ 3.46Å; C116-R120 WeakPolarHBondContact O-CG 3.5Å; C116-R120 PolarHBondContact O-N 3.43Å; C116-R120 VanDerWaalsContact SG-CZ 3.54Å; C116-R120 PolarHBondContact SG-NH2 3.27Å; V117-R120 WeakPolarHBondContact O-CB 3.23Å; V117-R120 PolarHBondContact O-N 2.79Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.43Å; R120-Y122 VanDerWaalsContact C-N 3.34Å; R120-A123 PolarHBondContact O-N 3.18Å; R120-Y124 VanDerWaalsContact O-CB 3.25Å; R120-Y124 WeakPolarHBondContact O-CB 3.34Å; R120-Y124 PolarHBondContact O-N 3.25Å
121F95Very high94.3Very high0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-59.6-45.5174.5176.6-105.7000111.1V117 V118 A123 Y124 H125 L127 I176 E179 T180 I183 L235V117-F121 PolarHBondContact O-N 3.08Å; V118-F121 WeakPolarHBondContact O-CB 3.44Å; V118-F121 PolarHBondContact O-N 3.25Å; V118-F121 VanDerWaalsContact O-N 3.17Å; F121-A123 PolarHBondContact O-N 3.19Å; F121-Y124 PolarHBondContact O-N 3.07Å; F121-H125 AromaticContact CD2-CD2 3.48Å; F121-H125 VanDerWaalsContact CD2-CD2 3.48Å; F121-H125 WeakPolarHBondContact CD2-CD2 3.45Å; F121-H125 AromaticContact CD2-NE2 3.78Å; F121-H125 AromaticContact CE2-CD2 3.2Å; F121-H125 WeakPolarHBondContact CE2-CD2 3.47Å; F121-H125 AromaticContact CE2-NE2 3.37Å; F121-H125 WeakPolarHBondContact CE2-NE2 3.26Å; F121-H125 AromaticContact CZ-CD2 3.78Å; F121-H125 PolarHBondContact O-CD2 2.9Å; F121-H125 PolarHBondContact O-N 2.66Å; F121-H125 VanDerWaalsContact O-N 3.15Å; F121-L127 HydrophobicContact CD1-CD1 3.99Å; F121-L127 HydrophobicContact CE1-CD1 3.44Å; F121-L127 VanDerWaalsContact CE1-CD1 3.44Å; F121-L127 HydrophobicContact CZ-CD1 4.21Å; F121-I176 HydrophobicContact CZ-CG2 4.18Å; F121-E179 HydrophobicContact CD2-CG 4.44Å; F121-E179 HydrophobicContact CE2-CB 3.88Å; F121-E179 HydrophobicContact CE2-CG 3.76Å; F121-E179 HydrophobicContact CZ-CB 4.15Å; F121-E179 HydrophobicContact CZ-CG 4.4Å; F121-T180 WeakPolarHBondContact CZ-OG1 3.42Å; F121-I183 HydrophobicContact CD1-CD1 4.01Å; F121-I183 HydrophobicContact CD2-CD1 4.14Å; F121-I183 HydrophobicContact CE1-CD1 4.14Å; F121-I183 HydrophobicContact CE2-CD1 4.27Å; F121-I183 HydrophobicContact CG-CD1 4.02Å; F121-I183 HydrophobicContact CZ-CD1 4.27Å; F121-L235 HydrophobicContact CD1-CD2 4.49Å; F121-L235 HydrophobicContact CE1-CD2 4.38Å
122Y95Very high93.9Very high27 Ų2756.8 Ų56.811%0.10627%0.271CS..Hα-helixtrans-59.8-46175.1-70.3-5.4000112.5V118 R120 H126 L127 D234 L235 K238V118-Y122 HydrophobicContact CG1-CD1 4.28Å; V118-Y122 HydrophobicContact CG1-CD2 4.4Å; V118-Y122 HydrophobicContact CG1-CE1 3.81Å; V118-Y122 HydrophobicContact CG1-CE2 3.95Å; V118-Y122 PolarHBondContact O-N 3.1Å; R120-Y122 VanDerWaalsContact C-N 3.34Å; Y122-H126 WeakPolarHBondContact O-CA 3.5Å; Y122-H126 PolarHBondContact O-N 3.03Å; Y122-L127 HydrophobicContact CD1-CB 4.29Å; Y122-L127 HydrophobicContact CD1-CD1 3.82Å; Y122-L127 HydrophobicContact CE1-CD1 4.11Å; Y122-L127 PolarHBondContact O-N 3.38Å; Y122-D234 VanDerWaalsContact CE2-OD2 3.23Å; Y122-D234 WeakPolarHBondContact CE2-OD2 3.48Å; Y122-D234 VanDerWaalsContact CZ-OD2 3.3Å; Y122-D234 PolarHBondContact OH-OD2 3.4Å; Y122-L235 HydrophobicContact CE1-CD2 3.61Å; Y122-L235 HydrophobicContact CE1-CG 4.32Å; Y122-K238 HydrophobicContact CD1-CD 4.38Å; Y122-K238 HydrophobicContact CE1-CD 3.64Å; Y122-K238 HydrophobicContact CE2-CD 4.41Å
123A93.8Very high93.3Very high63 Ų6353.5 Ų53.552%0.52126%0.263SS..Hα-helixtrans-66.1-43.4179.100000112.2E119 R120 F121 H125 H126E119-A123 WeakPolarHBondContact O-CB 3.24Å; E119-A123 PolarHBondContact O-N 2.9Å; R120-A123 PolarHBondContact O-N 3.18Å; F121-A123 PolarHBondContact O-N 3.19Å; A123-H125 PolarHBondContact O-N 2.97Å; A123-H126 PolarHBondContact O-N 3.38Å
124Y91.8Very high92.8Very high179 Ų17953.4 Ų53.470%0.70226%0.263SS*.Hα-helixtrans-63.1-39.7-177.9179.7-104.6000112.4R120 F121R120-Y124 VanDerWaalsContact O-CB 3.25Å; R120-Y124 WeakPolarHBondContact O-CB 3.34Å; R120-Y124 PolarHBondContact O-N 3.25Å; F121-Y124 PolarHBondContact O-N 3.07Å
125H91.4Very high92.1Very high37 Ų3758.9 Ų58.917%0.17129%0.287CS..THydrogen-bonded Turntrans-94.31.6178.9-68.5-62.5000114.5F121 A123 L127 I176 E179F121-H125 AromaticContact CD2-CD2 3.48Å; F121-H125 VanDerWaalsContact CD2-CD2 3.48Å; F121-H125 WeakPolarHBondContact CD2-CD2 3.45Å; F121-H125 AromaticContact CD2-NE2 3.78Å; F121-H125 AromaticContact CE2-CD2 3.2Å; F121-H125 WeakPolarHBondContact CE2-CD2 3.47Å; F121-H125 AromaticContact CE2-NE2 3.37Å; F121-H125 WeakPolarHBondContact CE2-NE2 3.26Å; F121-H125 AromaticContact CZ-CD2 3.78Å; F121-H125 PolarHBondContact O-CD2 2.9Å; F121-H125 PolarHBondContact O-N 2.66Å; F121-H125 VanDerWaalsContact O-N 3.15Å; A123-H125 PolarHBondContact O-N 2.97Å; H125-L127 HydrophobicContact CB-CB 4.48Å; H125-L127 PolarHBondContact O-N 3.02Å; H125-I176 HydrophobicContact CB-CD1 4.14Å; H125-E179 IonicContact NE2-OE2 2.61Å
126H91.6Very high91.2Very high111 Ų11162.1 Ų62.151%0.51430%0.301SS..THydrogen-bonded Turntrans48.344.4-172-60.2-86.8000111.8Y122 A123 D128 E129 L130Y122-H126 WeakPolarHBondContact O-CA 3.5Å; Y122-H126 PolarHBondContact O-N 3.03Å; A123-H126 PolarHBondContact O-N 3.38Å; H126-D128 VanDerWaalsContact C-N 3.35Å; H126-D128 PolarHBondContact O-N 3.34Å; H126-E129 HydrophobicContact CB-CB 4.34Å; H126-E129 IonicContact ND1-OE1 3.67Å; H126-E129 IonicContact ND1-OE2 2.7Å; H126-E129 WeakPolarHBondContact O-CB 3Å; H126-E129 PolarHBondContact O-N 3.38Å; H126-E129 VanDerWaalsContact O-N 3.1Å; H126-L130 WeakPolarHBondContact O-CB 3.24Å; H126-L130 PolarHBondContact O-N 3.14Å
127L91.5Very high90Very high0 Ų063.5 Ų63.50%031%0.311CS..Hα-helixtrans-65.3-37.1-159.5-147.2169.5000112.5F121 Y122 H125 C131 I176 K238 L242F121-L127 HydrophobicContact CD1-CD1 3.99Å; F121-L127 HydrophobicContact CE1-CD1 3.44Å; F121-L127 VanDerWaalsContact CE1-CD1 3.44Å; F121-L127 HydrophobicContact CZ-CD1 4.21Å; Y122-L127 HydrophobicContact CD1-CB 4.29Å; Y122-L127 HydrophobicContact CD1-CD1 3.82Å; Y122-L127 HydrophobicContact CE1-CD1 4.11Å; Y122-L127 PolarHBondContact O-N 3.38Å; H125-L127 HydrophobicContact CB-CB 4.48Å; H125-L127 PolarHBondContact O-N 3.02Å; L127-C131 VanDerWaalsContact CD2-SG 3.54Å; L127-C131 WeakPolarHBondContact O-CB 3.18Å; L127-C131 PolarHBondContact O-N 2.98Å; L127-C131 PolarHBondContact O-SG 2.76Å; L127-C131 VanDerWaalsContact O-SG 3.34Å; L127-I176 HydrophobicContact CD1-CG2 4.49Å; L127-K238 HydrophobicContact CD1-CD 4.33Å; L127-K238 HydrophobicContact CD2-CB 3.75Å; L127-K238 HydrophobicContact CD2-CD 3.65Å; L127-K238 HydrophobicContact CD2-CG 3.7Å; L127-K238 HydrophobicContact CG-CD 4.48Å; L127-L242 HydrophobicContact CD2-CD1 4.24Å
128D92.3Very high88.5Confident94 Ų9464.9 Ų64.950%0.50332%0.319SS..Hα-helixtrans-66.1-42.6175.5-66.7-47.1000112.1H126 C131 S132 K238H126-D128 VanDerWaalsContact C-N 3.35Å; H126-D128 PolarHBondContact O-N 3.34Å; D128-C131 PolarHBondContact O-N 3.06Å; D128-S132 WeakPolarHBondContact O-CB 3.23Å; D128-S132 PolarHBondContact O-N 3.38Å; D128-K238 WeakPolarHBondContact OD1-CE 3.46Å; D128-K238 IonicContact OD1-NZ 3.94Å; D128-K238 PolarHBondContact OD1-NZ 2.95Å
129E90.7Very high86.8Confident121 Ų12168.4 Ų68.457%0.56534%0.344SS*.Hα-helixtrans-63.2-48.4176.4-64.8175.4-160.700110.1H126 C131 S132 M133H126-E129 HydrophobicContact CB-CB 4.34Å; H126-E129 IonicContact ND1-OE1 3.67Å; H126-E129 IonicContact ND1-OE2 2.7Å; H126-E129 WeakPolarHBondContact O-CB 3Å; H126-E129 PolarHBondContact O-N 3.38Å; H126-E129 VanDerWaalsContact O-N 3.1Å; E129-C131 PolarHBondContact O-N 3.09Å; E129-S132 PolarHBondContact O-N 2.9Å; E129-S132 VanDerWaalsContact O-N 3.16Å; E129-S132 PolarHBondContact O-OG 2.98Å; E129-M133 WeakPolarHBondContact O-CG 3.46Å; E129-M133 PolarHBondContact O-N 3.21Å
130L90.5Very high84.8Confident24 Ų2469.4 Ų69.413%0.12635%0.352CS..Hα-helixtrans-54.5-55176.2-178.160.7000110.6H126 S132 M133 L134 I173 I176 L242H126-L130 WeakPolarHBondContact O-CB 3.24Å; H126-L130 PolarHBondContact O-N 3.14Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 3.08Å; L130-M133 WeakPolarHBondContact O-CB 3.46Å; L130-M133 PolarHBondContact O-N 2.89Å; L130-M133 VanDerWaalsContact O-N 3.11Å; L130-L134 HydrophobicContact CD1-CG 4.44Å; L130-L134 HydrophobicContact CG-CD1 4.38Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 3.39Å; L130-I173 HydrophobicContact CD1-CD1 4.5Å; L130-I173 HydrophobicContact CD2-CG1 4.31Å; L130-I176 HydrophobicContact CD2-CD1 4.19Å; L130-L242 HydrophobicContact CD2-CD2 3.66Å; L130-L242 HydrophobicContact CG-CD2 4.04Å
131C90.4Very high82.8Confident9 Ų968.3 Ų68.36%0.06136%0.358CS..Hα-helixtrans-58.2-39.6178-73.20000112.7L127 D128 E129 M133 L134 K135L127-C131 VanDerWaalsContact CD2-SG 3.54Å; L127-C131 WeakPolarHBondContact O-CB 3.18Å; L127-C131 PolarHBondContact O-N 2.98Å; L127-C131 PolarHBondContact O-SG 2.76Å; L127-C131 VanDerWaalsContact O-SG 3.34Å; D128-C131 PolarHBondContact O-N 3.06Å; E129-C131 PolarHBondContact O-N 3.09Å; C131-M133 VanDerWaalsContact C-N 3.34Å; C131-M133 PolarHBondContact O-N 3.15Å; C131-L134 PolarHBondContact O-N 3.21Å; C131-K135 WeakPolarHBondContact O-CG 3.44Å; C131-K135 PolarHBondContact O-N 2.95Å; C131-K135 VanDerWaalsContact O-N 3.11Å
132S89.3Confident80.4Confident53 Ų5375.4 Ų75.437%0.37140%0.395SS..Hα-helixtrans-64.9-38177.9830000112.4D128 E129 L130 K136D128-S132 WeakPolarHBondContact O-CB 3.23Å; D128-S132 PolarHBondContact O-N 3.38Å; E129-S132 PolarHBondContact O-N 2.9Å; E129-S132 VanDerWaalsContact O-N 3.16Å; E129-S132 PolarHBondContact O-OG 2.98Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 3.08Å; S132-K136 WeakPolarHBondContact O-CG 2.79Å; S132-K136 PolarHBondContact O-N 3.39Å
133M86.1Confident77.9Confident90 Ų9078.8 Ų78.844%0.44342%0.423SS..Hα-helixtrans-67.4-43176.3-69.7-179.573.100111.2E129 L130 C131 K135 K136 S137E129-M133 WeakPolarHBondContact O-CG 3.46Å; E129-M133 PolarHBondContact O-N 3.21Å; L130-M133 WeakPolarHBondContact O-CB 3.46Å; L130-M133 PolarHBondContact O-N 2.89Å; L130-M133 VanDerWaalsContact O-N 3.11Å; C131-M133 VanDerWaalsContact C-N 3.34Å; C131-M133 PolarHBondContact O-N 3.15Å; M133-K135 PolarHBondContact O-N 3.4Å; M133-K136 PolarHBondContact O-N 3.33Å; M133-S137 PolarHBondContact O-N 2.94Å; M133-S137 VanDerWaalsContact O-N 3.08Å
134L86.5Confident75.7Confident7 Ų780.9 Ų80.94%0.03743%0.434CS..Hα-helixtrans-64-41.8-179.7-61.5-176.7000111.9L130 C131 K136 S137 N138 I173 L242 Y245L130-L134 HydrophobicContact CD1-CG 4.44Å; L130-L134 HydrophobicContact CG-CD1 4.38Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 3.39Å; C131-L134 PolarHBondContact O-N 3.21Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.48Å; L134-S137 WeakPolarHBondContact O-CB 3.26Å; L134-S137 PolarHBondContact O-N 3.4Å; L134-N138 PolarHBondContact O-N 3.26Å; L134-I173 HydrophobicContact CD1-CD1 4.33Å; L134-I173 HydrophobicContact CD2-CD1 4.47Å; L134-L242 HydrophobicContact CD1-CD2 3.82Å; L134-Y245 HydrophobicContact CB-CD2 4.49Å; L134-Y245 HydrophobicContact CD1-CD1 4.15Å; L134-Y245 HydrophobicContact CD1-CG 3.96Å; L134-Y245 HydrophobicContact CD2-CD1 3.77Å; L134-Y245 HydrophobicContact CD2-CD2 3.59Å; L134-Y245 HydrophobicContact CD2-CE1 3.84Å; L134-Y245 HydrophobicContact CD2-CE2 3.62Å; L134-Y245 HydrophobicContact CD2-CG 3.63Å; L134-Y245 HydrophobicContact CG-CD2 4.4Å; L134-Y245 HydrophobicContact CG-CG 4.23Å
135K82.5Confident73.4Confident116 Ų11681 Ų8150%0.50444%0.438SS..Hα-helixtrans-61-38175.9-72.6177.4-178.9179.80112.9C131 M133 S139 N241C131-K135 WeakPolarHBondContact O-CG 3.44Å; C131-K135 PolarHBondContact O-N 2.95Å; C131-K135 VanDerWaalsContact O-N 3.11Å; M133-K135 PolarHBondContact O-N 3.4Å; K135-S139 PolarHBondContact O-N 3.4Å; K135-S139 PolarHBondContact O-OG 3.15Å; K135-N241 WeakPolarHBondContact CE-OD1 3.35Å
136K78.8Confident71.1Confident142 Ų14290.2 Ų90.262%0.61747%0.471SS*.Hα-helixtrans-67.8-40.3175.9-70.4172.4-177.1174.80111.9S132 M133 L134 N138 S139 N140S132-K136 WeakPolarHBondContact O-CG 2.79Å; S132-K136 PolarHBondContact O-N 3.39Å; M133-K136 PolarHBondContact O-N 3.33Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.48Å; K136-N138 PolarHBondContact O-N 3.31Å; K136-S139 PolarHBondContact O-N 3.08Å; K136-N140 PolarHBondContact O-N 3.27Å
137S71.1Confident68.8Low67 Ų6793.2 Ų93.247%0.46949%0.485SS..Hα-helixtrans-60.3-45.2178-167.50000112.1M133 L134 S139 N140M133-S137 PolarHBondContact O-N 2.94Å; M133-S137 VanDerWaalsContact O-N 3.08Å; L134-S137 WeakPolarHBondContact O-CB 3.26Å; L134-S137 PolarHBondContact O-N 3.4Å; S137-S139 PolarHBondContact O-N 3.25Å; S137-N140 PolarHBondContact O-N 3.45Å
138N65Low66.4Low33 Ų3399 Ų9918%0.17652%0.516CS..Hα-helixtrans-64.1-39.2178.7-75.9-10.5000112.5L134 K136 N140 S141 Q244L134-N138 PolarHBondContact O-N 3.26Å; K136-N138 PolarHBondContact O-N 3.31Å; N138-N140 PolarHBondContact O-N 3.34Å; N138-S141 PolarHBondContact O-N 3.05Å; N138-S141 PolarHBondContact O-OG 3Å; N138-Q244 PolarHBondContact ND2-OE1 3.1Å
139S60.8Low63.8Low76 Ų76100.4 Ų100.453%0.53153%0.533SS..Hα-helixtrans-68.1-35-177.2-59.10000113.5K135 K136 S137 S141 L142K135-S139 PolarHBondContact O-N 3.4Å; K135-S139 PolarHBondContact O-OG 3.15Å; K136-S139 PolarHBondContact O-N 3.08Å; S137-S139 PolarHBondContact O-N 3.25Å; S139-S141 PolarHBondContact O-N 3.43Å; S139-L142 PolarHBondContact O-N 3.45Å
140N52.1Low61.6Low120 Ų120100.1 Ų100.164%0.64254%0.544SS*.Hα-helixtrans-69.8-16.2-178.2-71.9-9.9000113.4K136 S137 N138K136-N140 PolarHBondContact O-N 3.27Å; S137-N140 PolarHBondContact O-N 3.45Å; N138-N140 PolarHBondContact O-N 3.34Å
141S51.7Low59.1Low65 Ų65103.3 Ų103.346%0.45557%0.574SS.*THydrogen-bonded Turntrans-79.7-19.4177.170.50000114N138 S139N138-S141 PolarHBondContact O-N 3.05Å; N138-S141 PolarHBondContact O-OG 3Å; S139-S141 PolarHBondContact O-N 3.43Å
142L46.2Very low56.8Low149 Ų149111.7 Ų111.778%0.7861%0.612SS**THydrogen-bonded Turntrans-97-14.8-174.1-80.1124.9000114.9S139S139-L142 PolarHBondContact O-N 3.45Å
143S42.7Very low54.6Low98 Ų98113.5 Ų113.569%0.68563%0.625SS**SBendtrans-93.3-2.1-174.855.90000115.5
144S46.1Very low52.5Low108 Ų108116 Ų11676%0.75564%0.639SS**  trans-99.711.7-172.7-1510000116
145K45.3Very low50.3Low181 Ų181121.2 Ų121.279%0.78767%0.667SS**  trans-107.953.8179.7-78.8-175.8178.7171.60113.3
146R41.6Very low48.5Very low230 Ų230124.5 Ų124.587%0.86868%0.676SS**  trans-152.381.9163.5-64.5-170.7-170.8168.54.1110.8
147H43.9Very low46.5Very low174 Ų174123.8 Ų123.881%0.80668%0.679SS**SBendtrans-177.4122.1142.3-105.1-77.3000111.1
148D41.8Very low45.2Very low122 Ų122128.3 Ų128.365%0.65269%0.69SS**  trans57.398148.5-57.1-33.3000122.3S150D148-S150 PolarHBondContact O-N 2.89Å; D148-S150 VanDerWaalsContact O-N 3.13Å
149S37.7Very low44.1Very low124 Ų124131.4 Ų131.487%0.86771%0.705SS**  27.271.1109.7-40.50000118.5
150S42.6Very low43.1Very low114 Ų114133 Ų13380%0.79771%0.707SS**  trans-159.5136.2143.862.30000111D148 Q152D148-S150 PolarHBondContact O-N 2.89Å; D148-S150 VanDerWaalsContact O-N 3.13Å; S150-Q152 PolarHBondContact O-N 3.13Å
151A38.6Very low42.4Very low91 Ų91133.3 Ų133.375%0.75271%0.709SS**  trans-64.4121178.900000111.2
152Q42Very low42.3Very low185 Ų185133.8 Ų133.886%0.86471%0.713SS**  trans-176.1127.3145.5-104.8147.911.200112.9S150S150-Q152 PolarHBondContact O-N 3.13Å
153S43.4Very low42.4Very low91 Ų91129.4 Ų129.464%0.63669%0.694SS**  trans44.7103.8148.864.10000119.9N155S153-N155 PolarHBondContact O-N 3.27Å
154I41.3Very low42.6Very low143 Ų143131.8 Ų131.873%0.73369%0.694SS**  38.482.9121.8-49.5169000114.7R156I154-R156 VanDerWaalsContact C-N 3.32Å; I154-R156 HydrophobicContact CG2-CB 4.08Å; I154-R156 HydrophobicContact CG2-CG 3.97Å
155N40.2Very low42.7Very low116 Ų116131.8 Ų131.862%0.6269%0.686SS**  trans-93.559.7157.7-89.5-54.9000109.4S153 D157S153-N155 PolarHBondContact O-N 3.27Å; N155-D157 VanDerWaalsContact C-N 3.33Å
156R46.1Very low43.4Very low186 Ų186123.4 Ų123.470%0.70265%0.651SS**  trans-73.3-30.1169-80-175.3-177.6-178.4-0.9111.2I154 K158 I159 L160I154-R156 VanDerWaalsContact C-N 3.32Å; I154-R156 HydrophobicContact CG2-CB 4.08Å; I154-R156 HydrophobicContact CG2-CG 3.97Å; R156-K158 PolarHBondContact O-N 2.83Å; R156-I159 PolarHBondContact O-N 3.43Å; R156-L160 WeakPolarHBondContact O-CD1 3.49Å; R156-L160 PolarHBondContact O-N 3.25Å
157D36.9Very low44.4Very low126 Ų126113.8 Ų113.867%0.67462%0.618SS**Hα-helixtrans-73.3-28.7-172.7-60.9-24.5000114N155 I159 L160N155-D157 VanDerWaalsContact C-N 3.33Å; D157-I159 VanDerWaalsContact C-N 3.31Å; D157-I159 PolarHBondContact O-N 3.42Å; D157-L160 PolarHBondContact O-N 3Å
158K43Very low45.6Very low162 Ų162111 Ų11170%0.70461%0.61SS**Hα-helixtrans-75.8-16.9174.7-81.8-176.2176.5178.10114.3R156R156-K158 PolarHBondContact O-N 2.83Å
159I43Very low47.5Very low98 Ų98109 Ų10950%0.50359%0.593SS.*Hα-helixtrans-84.2-32.9175.6-63.5173.8000109.7R156 D157 S162 S163R156-I159 PolarHBondContact O-N 3.43Å; D157-I159 VanDerWaalsContact C-N 3.31Å; D157-I159 PolarHBondContact O-N 3.42Å; I159-S162 PolarHBondContact O-N 2.77Å; I159-S162 PolarHBondContact O-OG 3.44Å; I159-S163 PolarHBondContact O-N 2.89Å
160L38.1Very low49.7Very low109 Ų109103.8 Ų103.857%0.57156%0.556SS**Hα-helixtrans-65.5-40178.4-97.683.8000113.5R156 D157 S162 S163 E164R156-L160 WeakPolarHBondContact O-CD1 3.49Å; R156-L160 PolarHBondContact O-N 3.25Å; D157-L160 PolarHBondContact O-N 3Å; L160-S162 PolarHBondContact O-N 2.87Å; L160-S163 WeakPolarHBondContact O-CA 3.18Å; L160-S163 VanDerWaalsContact O-CB 3.27Å; L160-S163 WeakPolarHBondContact O-CB 3.46Å; L160-S163 PolarHBondContact O-N 2.87Å; L160-E164 PolarHBondContact O-N 2.73Å
161D38.1Very low51.7Low128 Ų128104.1 Ų104.168%0.68455%0.548SS*.Hα-helixtrans-65.4-27.1177.4-83.3-8.6000113.1S163D161-S163 VanDerWaalsContact C-N 3.34Å
162S49.9Very low54Low75 Ų75104.3 Ų104.352%0.52454%0.54SS..Hα-helixtrans-78.9-19.4172.267.80000113.3I159 L160 G166I159-S162 PolarHBondContact O-N 2.77Å; I159-S162 PolarHBondContact O-OG 3.44Å; L160-S162 PolarHBondContact O-N 2.87Å; S162-G166 PolarHBondContact O-N 3.33Å
163S48.3Very low56.4Low56 Ų5695.6 Ų95.639%0.39250%0.499SS..Hα-helixtrans-78.7-38.7-177.4145.60000112.4I159 L160 D161 G166 S167I159-S163 PolarHBondContact O-N 2.89Å; L160-S163 WeakPolarHBondContact O-CA 3.18Å; L160-S163 VanDerWaalsContact O-CB 3.27Å; L160-S163 WeakPolarHBondContact O-CB 3.46Å; L160-S163 PolarHBondContact O-N 2.87Å; D161-S163 VanDerWaalsContact C-N 3.34Å; S163-G166 PolarHBondContact O-N 2.88Å; S163-S167 PolarHBondContact O-N 3.37Å
164E46.3Very low58.7Low148 Ų14893.8 Ų93.869%0.69248%0.48SS*.Hα-helixtrans-63.4-45.6175-72.1-169.2165.500111.3L160 G166 S167 D168L160-E164 PolarHBondContact O-N 2.73Å; E164-G166 PolarHBondContact O-N 3.12Å; E164-S167 PolarHBondContact O-N 3.46Å; E164-D168 PolarHBondContact O-N 3.25Å
165L49.5Very low61.2Low109 Ų10990 Ų9057%0.57147%0.465SS*.Hα-helixtrans-64.7-26.4176.2-159.574.2000112.7R169L165-R169 WeakPolarHBondContact O-CD 3.23Å; L165-R169 VanDerWaalsContact O-CG 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.45Å
166G59.3Low63.8Low5 Ų584.7 Ų84.75%0.05244%0.437CS..Hα-helixtrans-74.7-43.6174.700000112.8S162 S163 E164 R169 V170S162-G166 PolarHBondContact O-N 3.33Å; S163-G166 PolarHBondContact O-N 2.88Å; E164-G166 PolarHBondContact O-N 3.12Å; G166-R169 PolarHBondContact O-N 2.95Å; G166-V170 WeakPolarHBondContact O-CG2 3.49Å; G166-V170 PolarHBondContact O-N 3.46Å
167S62Low66.2Low27 Ų2775.8 Ų75.819%0.18940%0.403CS..Hα-helixtrans-65.2-44.1-176-171.40000112.3S163 E164 R169 V170 L171 K253S163-S167 PolarHBondContact O-N 3.37Å; E164-S167 PolarHBondContact O-N 3.46Å; S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 3.25Å; S167-V170 PolarHBondContact O-N 2.86Å; S167-L171 PolarHBondContact O-N 2.86Å; S167-K253 PolarHBondContact OG-NZ 3.33Å
168D70.5Confident69Low117 Ų11772.2 Ų72.263%0.62639%0.386SS*.Hα-helixtrans-63.9-36.4177.7-76-6.2000111.8E164E164-D168 PolarHBondContact O-N 3.25Å
169R81.2Confident71.5Confident79 Ų7965.1 Ų65.130%0.29836%0.355SS..Hα-helixtrans-69.5-37.1176.6-71.7177.1-172.7-106.6-0.8112.5L165 G166 S167 L171 V172 I173L165-R169 WeakPolarHBondContact O-CD 3.23Å; L165-R169 VanDerWaalsContact O-CG 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.45Å; G166-R169 PolarHBondContact O-N 2.95Å; S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 3.25Å; R169-L171 VanDerWaalsContact C-N 3.31Å; R169-L171 PolarHBondContact O-N 2.93Å; R169-V172 PolarHBondContact O-N 3.09Å; R169-I173 HydrophobicContact CB-CD1 4.34Å; R169-I173 WeakPolarHBondContact O-CB 3.4Å; R169-I173 VanDerWaalsContact O-CG1 3.23Å; R169-I173 WeakPolarHBondContact O-CG1 3.28Å; R169-I173 PolarHBondContact O-N 3.46Å
170V83.5Confident74.1Confident14 Ų1460.5 Ų60.59%0.08533%0.331CS..Hα-helixtrans-60.1-42.4178.5165.40000111.2G166 S167 V172 I173 E174 Y246 V249 T250G166-V170 WeakPolarHBondContact O-CG2 3.49Å; G166-V170 PolarHBondContact O-N 3.46Å; S167-V170 PolarHBondContact O-N 2.86Å; V170-V172 PolarHBondContact O-N 3.32Å; V170-I173 PolarHBondContact O-N 3.31Å; V170-E174 PolarHBondContact O-N 3.46Å; V170-Y246 HydrophobicContact CG1-CD2 3.79Å; V170-Y246 HydrophobicContact CG1-CE2 3.72Å; V170-V249 HydrophobicContact CG2-CB 3.79Å; V170-V249 HydrophobicContact CG2-CG1 3.52Å; V170-T250 HydrophobicContact CG1-CG2 3.63Å; V170-T250 HydrophobicContact CG2-CG2 4.4Å
171L84.2Confident76.9Confident122 Ų12255.9 Ų55.964%0.63931%0.307SS*.Hα-helixtrans-61.9-32.1178.2-65.7176.5000112.6S167 R169 P175S167-L171 PolarHBondContact O-N 2.86Å; R169-L171 VanDerWaalsContact C-N 3.31Å; R169-L171 PolarHBondContact O-N 2.93Å; L171-P175 WeakPolarHBondContact O-CD 3.41Å
172V86.9Confident79.6Confident95 Ų9552.9 Ų52.958%0.57629%0.289SS*.Hα-helixtrans-81.2-36.3176.4178.90000111.9R169 V170 P175 I176R169-V172 PolarHBondContact O-N 3.09Å; V170-V172 PolarHBondContact O-N 3.32Å; V172-P175 WeakPolarHBondContact O-CD 3.4Å; V172-I176 HydrophobicContact CG1-CD1 4.22Å; V172-I176 WeakPolarHBondContact O-CD1 3.33Å; V172-I176 WeakPolarHBondContact O-CG1 3.45Å
173I91.8Very high81.9Confident1 Ų149.3 Ų49.31%0.00526%0.264CS..Hα-helixtrans-72.2-35.7-176.6-74167.9000111.8L130 L134 R169 V170 I176 I177 L242 Y245L130-I173 HydrophobicContact CD1-CD1 4.5Å; L130-I173 HydrophobicContact CD2-CG1 4.31Å; L134-I173 HydrophobicContact CD1-CD1 4.33Å; L134-I173 HydrophobicContact CD2-CD1 4.47Å; R169-I173 HydrophobicContact CB-CD1 4.34Å; R169-I173 WeakPolarHBondContact O-CB 3.4Å; R169-I173 VanDerWaalsContact O-CG1 3.23Å; R169-I173 WeakPolarHBondContact O-CG1 3.28Å; R169-I173 PolarHBondContact O-N 3.46Å; V170-I173 PolarHBondContact O-N 3.31Å; I173-I176 WeakPolarHBondContact O-CB 3.42Å; I173-I176 PolarHBondContact O-N 3.48Å; I173-I176 VanDerWaalsContact O-N 3.1Å; I173-I177 HydrophobicContact CG2-CD1 3.54Å; I173-I177 HydrophobicContact CG2-CG1 3.87Å; I173-I177 WeakPolarHBondContact O-CG1 3.45Å; I173-I177 PolarHBondContact O-N 2.9Å; I173-L242 HydrophobicContact CG2-CB 4.22Å; I173-L242 HydrophobicContact CG2-CD2 4.24Å; I173-Y245 HydrophobicContact CD1-CD1 3.49Å; I173-Y245 VanDerWaalsContact CD1-CD1 3.49Å; I173-Y245 HydrophobicContact CD1-CE1 3.49Å; I173-Y245 VanDerWaalsContact CD1-CE1 3.49Å
174E93Very high84.2Confident53 Ų5346.7 Ų46.725%0.24825%0.245CC..Hα-helixtrans-59.6-48.4-174.8-178.1170.2169.800113.5V170 I176 I177 V178 Y246 K279V170-E174 PolarHBondContact O-N 3.46Å; E174-I176 VanDerWaalsContact C-N 3.29Å; E174-I176 PolarHBondContact O-N 3.07Å; E174-I177 WeakPolarHBondContact O-CB 3.23Å; E174-I177 PolarHBondContact O-N 3.31Å; E174-V178 WeakPolarHBondContact O-CG2 3.38Å; E174-V178 PolarHBondContact O-N 3.17Å; E174-V178 VanDerWaalsContact O-N 3.1Å; E174-Y246 HydrophobicContact CB-CD2 4.28Å; E174-Y246 HydrophobicContact CB-CE2 3.84Å; E174-Y246 HydrophobicContact CG-CE2 4.05Å; E174-Y246 WeakPolarHBondContact OE2-CE2 3.31Å; E174-Y246 PolarHBondContact OE2-OH 3.43Å; E174-K279 WeakPolarHBondContact OE1-CE 3.41Å; E174-K279 IonicContact OE1-NZ 2.64Å; E174-K279 PolarHBondContact OE1-NZ 3.15Å; E174-K279 IonicContact OE2-NZ 3.91Å
175P93.2Very high86.6Confident63 Ų6341.6 Ų41.641%0.40923%0.225SC..Hα-helixtrans-58.6-38.2172.6-25.434.6000113.2F66 L171 V172 I177 V178 E179F66-P175 HydrophobicContact CE1-CB 4.43Å; F66-P175 WeakPolarHBondContact CE1-O 3.48Å; L171-P175 WeakPolarHBondContact O-CD 3.41Å; V172-P175 WeakPolarHBondContact O-CD 3.4Å; P175-I177 VanDerWaalsContact C-N 3.35Å; P175-I177 PolarHBondContact O-N 2.85Å; P175-V178 PolarHBondContact O-N 3.3Å; P175-E179 PolarHBondContact O-N 3.36Å
176I95Very high88.8Confident5 Ų537.2 Ų37.23%0.02620%0.203CC..Hα-helixtrans-64.5-41.3178.8-58.7172000110.7F121 H125 L127 L130 V172 I173 E174 E179 T180 L242F121-I176 HydrophobicContact CZ-CG2 4.18Å; H125-I176 HydrophobicContact CB-CD1 4.14Å; L127-I176 HydrophobicContact CD1-CG2 4.49Å; L130-I176 HydrophobicContact CD2-CD1 4.19Å; V172-I176 HydrophobicContact CG1-CD1 4.22Å; V172-I176 WeakPolarHBondContact O-CD1 3.33Å; V172-I176 WeakPolarHBondContact O-CG1 3.45Å; I173-I176 WeakPolarHBondContact O-CB 3.42Å; I173-I176 PolarHBondContact O-N 3.48Å; I173-I176 VanDerWaalsContact O-N 3.1Å; E174-I176 VanDerWaalsContact C-N 3.29Å; E174-I176 PolarHBondContact O-N 3.07Å; I176-E179 PolarHBondContact O-N 2.9Å; I176-T180 VanDerWaalsContact O-CB 3.26Å; I176-T180 WeakPolarHBondContact O-CB 3.42Å; I176-T180 PolarHBondContact O-N 2.76Å; I176-T180 PolarHBondContact O-OG1 3.31Å; I176-L242 HydrophobicContact CG2-CD1 3.86Å
177I96.1Very high90.5Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-59.5-48.5175.1-71.3171.7000110.1I173 E174 P175 T180 L181 Y239 L242 E243 Y246I173-I177 HydrophobicContact CG2-CD1 3.54Å; I173-I177 HydrophobicContact CG2-CG1 3.87Å; I173-I177 WeakPolarHBondContact O-CG1 3.45Å; I173-I177 PolarHBondContact O-N 2.9Å; E174-I177 WeakPolarHBondContact O-CB 3.23Å; E174-I177 PolarHBondContact O-N 3.31Å; P175-I177 VanDerWaalsContact C-N 3.35Å; P175-I177 PolarHBondContact O-N 2.85Å; I177-T180 PolarHBondContact O-N 3.2Å; I177-L181 WeakPolarHBondContact O-CB 3.31Å; I177-L181 PolarHBondContact O-N 3.23Å; I177-Y239 HydrophobicContact CG2-CD2 3.99Å; I177-Y239 HydrophobicContact CG2-CE2 3.64Å; I177-L242 HydrophobicContact CD1-CB 4.12Å; I177-L242 HydrophobicContact CG1-CB 3.66Å; I177-L242 HydrophobicContact CG1-CD1 4.46Å; I177-E243 WeakPolarHBondContact CG2-OE2 3.24Å; I177-Y246 HydrophobicContact CD1-CD2 4.36Å; I177-Y246 HydrophobicContact CD1-CG 4.01Å
178V95.4Very high92.1Very high51 Ų5137.4 Ų37.431%0.30920%0.2SC..Hα-helixtrans-62.1-46.3-178.8175.50000110.6F66 E174 P175 L181 Q182F66-V178 HydrophobicContact CD1-CG1 4.43Å; F66-V178 HydrophobicContact CE1-CB 3.86Å; F66-V178 HydrophobicContact CE1-CG1 3.72Å; F66-V178 HydrophobicContact CE2-CG1 4.39Å; F66-V178 HydrophobicContact CZ-CB 4.14Å; F66-V178 HydrophobicContact CZ-CG1 3.68Å; E174-V178 WeakPolarHBondContact O-CG2 3.38Å; E174-V178 PolarHBondContact O-N 3.17Å; E174-V178 VanDerWaalsContact O-N 3.1Å; P175-V178 PolarHBondContact O-N 3.3Å; V178-L181 PolarHBondContact O-N 2.9Å; V178-Q182 PolarHBondContact O-N 3.03Å
179E96Very high93.2Very high13 Ų1336.9 Ų36.96%0.06120%0.196CC..Hα-helixtrans-62.8-46.5177.7-157.3166.6174.400112F66 V67 S68 A69 F121 H125 P175 I176 L181 Q182 I183F66-E179 VanDerWaalsContact CA-CD 3.43Å; F66-E179 WeakPolarHBondContact CA-OE1 3.37Å; F66-E179 HydrophobicContact CB-CG 4.03Å; F66-E179 HydrophobicContact CD1-CB 3.67Å; F66-E179 HydrophobicContact CD1-CG 3.94Å; F66-E179 HydrophobicContact CE1-CB 4.37Å; F66-E179 HydrophobicContact CG-CG 4.49Å; V67-E179 PolarHBondContact N-OE1 2.79Å; S68-E179 WeakPolarHBondContact CA-OE1 3.28Å; S68-E179 WeakPolarHBondContact CB-OE1 3.29Å; S68-E179 PolarHBondContact N-OE1 2.67Å; A69-E179 HydrophobicContact CB-CG 3.74Å; A69-E179 PolarHBondContact N-OE1 3.32Å; F121-E179 HydrophobicContact CD2-CG 4.44Å; F121-E179 HydrophobicContact CE2-CB 3.88Å; F121-E179 HydrophobicContact CE2-CG 3.76Å; F121-E179 HydrophobicContact CZ-CB 4.15Å; F121-E179 HydrophobicContact CZ-CG 4.4Å; H125-E179 IonicContact NE2-OE2 2.61Å; P175-E179 PolarHBondContact O-N 3.36Å; I176-E179 PolarHBondContact O-N 2.9Å; E179-L181 VanDerWaalsContact C-N 3.28Å; E179-L181 PolarHBondContact O-N 3.3Å; E179-Q182 PolarHBondContact O-N 3.14Å; E179-Q182 VanDerWaalsContact O-N 3.14Å; E179-I183 HydrophobicContact CG-CD1 4.35Å; E179-I183 WeakPolarHBondContact O-CG1 3.29Å; E179-I183 PolarHBondContact O-N 3.34Å
180T97.1Very high93.9Very high0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-56.8-45.6179.1-58.40000110.4F121 I176 I177 I183 I184 L235F121-T180 WeakPolarHBondContact CZ-OG1 3.42Å; I176-T180 VanDerWaalsContact O-CB 3.26Å; I176-T180 WeakPolarHBondContact O-CB 3.42Å; I176-T180 PolarHBondContact O-N 2.76Å; I176-T180 PolarHBondContact O-OG1 3.31Å; I177-T180 PolarHBondContact O-N 3.2Å; T180-I183 PolarHBondContact O-N 3.2Å; T180-I184 HydrophobicContact CG2-CD1 3.95Å; T180-I184 WeakPolarHBondContact O-CD1 3.41Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.37Å; T180-I184 PolarHBondContact O-N 2.98Å; T180-L235 HydrophobicContact CG2-CB 4.4Å; T180-L235 HydrophobicContact CG2-CD2 3.94Å
181L96.8Very high94.5Very high13 Ų1333.1 Ų33.17%0.06818%0.181CC..Hα-helixtrans-66.1-38179.1-173.964.6000112.2I177 V178 E179 I184 T185 Y239 R283I177-L181 WeakPolarHBondContact O-CB 3.31Å; I177-L181 PolarHBondContact O-N 3.23Å; V178-L181 PolarHBondContact O-N 2.9Å; E179-L181 VanDerWaalsContact C-N 3.28Å; E179-L181 PolarHBondContact O-N 3.3Å; L181-I184 PolarHBondContact O-N 2.81Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 PolarHBondContact O-N 3.16Å; L181-T185 PolarHBondContact O-OG1 3.41Å; L181-Y239 HydrophobicContact CB-CD2 4.5Å; L181-Y239 HydrophobicContact CB-CE2 4.45Å; L181-Y239 HydrophobicContact CD1-CE2 4.27Å; L181-R283 WeakPolarHBondContact CD1-O 3.26Å; L181-R283 HydrophobicContact CD2-CB 3.8Å; L181-R283 HydrophobicContact CD2-CG 4.1Å; L181-R283 VanDerWaalsContact CD2-O 3.23Å; L181-R283 WeakPolarHBondContact CD2-O 3.21Å
182Q96.1Very high94.9Very high65 Ų6530 Ų3030%0.30416%0.161SC..Hα-helixtrans-65.3-41.3175.7-168.6179.1-6.100111.4A69 V178 E179 T185 C186A69-Q182 HydrophobicContact CB-CB 3.82Å; A69-Q182 HydrophobicContact CB-CG 3.8Å; V178-Q182 PolarHBondContact O-N 3.03Å; E179-Q182 PolarHBondContact O-N 3.14Å; E179-Q182 VanDerWaalsContact O-N 3.14Å; Q182-T185 PolarHBondContact O-N 3.24Å; Q182-C186 PolarHBondContact O-N 3.38Å; Q182-C186 PolarHBondContact O-SG 3.21Å
183I97.6Very high95.3Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-60.6-45.8174-63.9168000111.1A69 I72 V118 F121 E179 T180 C186 S187 L235A69-I183 HydrophobicContact CB-CG1 3.81Å; I72-I183 HydrophobicContact CD1-CB 4.48Å; I72-I183 HydrophobicContact CD1-CD1 4.31Å; I72-I183 HydrophobicContact CD1-CG1 4.09Å; I72-I183 HydrophobicContact CD1-CG2 3.63Å; V118-I183 HydrophobicContact CG2-CG2 4.41Å; F121-I183 HydrophobicContact CD1-CD1 4.01Å; F121-I183 HydrophobicContact CD2-CD1 4.14Å; F121-I183 HydrophobicContact CE1-CD1 4.14Å; F121-I183 HydrophobicContact CE2-CD1 4.27Å; F121-I183 HydrophobicContact CG-CD1 4.02Å; F121-I183 HydrophobicContact CZ-CD1 4.27Å; E179-I183 HydrophobicContact CG-CD1 4.35Å; E179-I183 WeakPolarHBondContact O-CG1 3.29Å; E179-I183 PolarHBondContact O-N 3.34Å; T180-I183 PolarHBondContact O-N 3.2Å; I183-C186 PolarHBondContact O-SG 3.04Å; I183-S187 VanDerWaalsContact O-CB 3.29Å; I183-S187 WeakPolarHBondContact O-CB 3.38Å; I183-S187 PolarHBondContact O-N 3.47Å; I183-S187 VanDerWaalsContact O-N 3.13Å; I183-S187 PolarHBondContact O-OG 3.35Å; I183-L235 HydrophobicContact CB-CD1 4.47Å; I183-L235 HydrophobicContact CG2-CD1 3.58Å
184I97.6Very high95.5Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-59.5-50.9177-71.3161.2000110T180 L181 C186 S187 E188 V232 L235 L236T180-I184 HydrophobicContact CG2-CD1 3.95Å; T180-I184 WeakPolarHBondContact O-CD1 3.41Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.37Å; T180-I184 PolarHBondContact O-N 2.98Å; L181-I184 PolarHBondContact O-N 2.81Å; I184-C186 PolarHBondContact O-N 3.44Å; I184-S187 PolarHBondContact O-N 2.94Å; I184-E188 HydrophobicContact CG2-CG 4.45Å; I184-E188 WeakPolarHBondContact O-CB 3.41Å; I184-E188 PolarHBondContact O-N 2.91Å; I184-V232 HydrophobicContact CG2-CG1 4.46Å; I184-L235 HydrophobicContact CD1-CB 3.99Å; I184-L235 HydrophobicContact CG1-CB 3.72Å; I184-L235 HydrophobicContact CG1-CD1 4.48Å; I184-L236 HydrophobicContact CD1-CD2 3.93Å; I184-L236 HydrophobicContact CD1-CG 4.17Å; I184-L236 HydrophobicContact CG1-CD2 4.44Å; I184-L236 HydrophobicContact CG1-CG 4.46Å; I184-L236 HydrophobicContact CG2-CD2 3.74Å; I184-L236 HydrophobicContact CG2-CG 4.27Å
185T95.5Very high95.6Very high42 Ų4229.5 Ų29.526%0.25815%0.151SC..Hα-helixtrans-61.5-47.3-174.3-54.30000111.5L181 Q182 E188 L189 S286L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 PolarHBondContact O-N 3.16Å; L181-T185 PolarHBondContact O-OG1 3.41Å; Q182-T185 PolarHBondContact O-N 3.24Å; T185-E188 PolarHBondContact O-N 3.46Å; T185-L189 HydrophobicContact CG2-CD1 4.29Å; T185-L189 VanDerWaalsContact O-CG 3.29Å; T185-L189 WeakPolarHBondContact O-CG 3.46Å; T185-L189 PolarHBondContact O-N 3.06Å; T185-S286 PolarHBondContact OG1-O 3.43Å
186C95.3Very high95.6Very high16 Ų1630.9 Ų30.911%0.10815%0.148CC..Hα-helixtrans-68.4-35.9179.767.40000112.3L76 Q182 I183 I184 L189 Y190L76-C186 HydrophobicContact CD1-CB 4.44Å; Q182-C186 PolarHBondContact O-N 3.38Å; Q182-C186 PolarHBondContact O-SG 3.21Å; I183-C186 PolarHBondContact O-SG 3.04Å; I184-C186 PolarHBondContact O-N 3.44Å; C186-L189 PolarHBondContact O-N 3.16Å; C186-Y190 PolarHBondContact O-N 3.26Å
187S96.9Very high95.5Very high1 Ų133.5 Ų33.51%0.00716%0.158CC..Hα-helixtrans-64.8-44.6175.4-58.50000112I183 I184 Y190 L191 V232I183-S187 VanDerWaalsContact O-CB 3.29Å; I183-S187 WeakPolarHBondContact O-CB 3.38Å; I183-S187 PolarHBondContact O-N 3.47Å; I183-S187 VanDerWaalsContact O-N 3.13Å; I183-S187 PolarHBondContact O-OG 3.35Å; I184-S187 PolarHBondContact O-N 2.94Å; S187-Y190 PolarHBondContact O-N 3.47Å; S187-L191 VanDerWaalsContact O-CG 3.31Å; S187-L191 WeakPolarHBondContact O-CG 3.46Å; S187-L191 PolarHBondContact O-N 3.17Å; S187-V232 VanDerWaalsContact CB-CG2 3.46Å
188E93.7Very high95.4Very high36 Ų3633.6 Ų33.617%0.16816%0.158CC..Hα-helixtrans-61-44174.6-86.3-73.7145.300112.2I184 T185 Y190 L191 R192 V232I184-E188 HydrophobicContact CG2-CG 4.45Å; I184-E188 WeakPolarHBondContact O-CB 3.41Å; I184-E188 PolarHBondContact O-N 2.91Å; T185-E188 PolarHBondContact O-N 3.46Å; E188-Y190 VanDerWaalsContact C-N 3.33Å; E188-Y190 PolarHBondContact O-N 3.04Å; E188-L191 PolarHBondContact O-N 3.47Å; E188-R192 WeakPolarHBondContact O-CB 3.36Å; E188-R192 VanDerWaalsContact O-CG 3.28Å; E188-R192 WeakPolarHBondContact O-CG 3.39Å; E188-R192 PolarHBondContact O-N 3.33Å; E188-R192 IonicContact OE2-CZ 3.6Å; E188-R192 IonicContact OE2-NE 2.77Å; E188-R192 PolarHBondContact OE2-NE 3.37Å; E188-R192 IonicContact OE2-NH2 3.54Å; E188-R192 PolarHBondContact OE2-NH2 2.93Å; E188-V232 HydrophobicContact CG-CG1 4.32Å
189L93.7Very high95.3Very high105 Ų10533.9 Ų33.955%0.5516%0.163SC..Hα-helixtrans-60.1-44.1176.4-74.5172.3000111.7T185 C186 F193T185-L189 HydrophobicContact CG2-CD1 4.29Å; T185-L189 VanDerWaalsContact O-CG 3.29Å; T185-L189 WeakPolarHBondContact O-CG 3.46Å; T185-L189 PolarHBondContact O-N 3.06Å; C186-L189 PolarHBondContact O-N 3.16Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 3.42Å
190Y97.1Very high95.1Very high7 Ų735.5 Ų35.53%0.02718%0.178CC..Hα-helixtrans-61.9-49.6175.1171.2-99.9000112.1L76 V79 A80 H107 V110 C186 S187 E188 R192 F193 I194 L228L76-Y190 HydrophobicContact CB-CD2 4.47Å; L76-Y190 HydrophobicContact CB-CG 4.49Å; L76-Y190 HydrophobicContact CD2-CD1 3.86Å; L76-Y190 HydrophobicContact CD2-CD2 4.07Å; L76-Y190 HydrophobicContact CD2-CE1 4.31Å; L76-Y190 HydrophobicContact CD2-CG 3.72Å; L76-Y190 HydrophobicContact CG-CG 4.48Å; V79-Y190 HydrophobicContact CG1-CE2 4.02Å; A80-Y190 HydrophobicContact CB-CD2 4.42Å; H107-Y190 AromaticContact CE1-CE1 3.9Å; H107-Y190 AromaticContact ND1-CE1 3.51Å; V110-Y190 HydrophobicContact CB-CE1 4.44Å; V110-Y190 HydrophobicContact CG1-CD1 4.5Å; V110-Y190 HydrophobicContact CG1-CE1 3.92Å; V110-Y190 HydrophobicContact CG2-CE1 4.37Å; V110-Y190 WeakPolarHBondContact CG2-OH 3.45Å; C186-Y190 PolarHBondContact O-N 3.26Å; S187-Y190 PolarHBondContact O-N 3.47Å; E188-Y190 VanDerWaalsContact C-N 3.33Å; E188-Y190 PolarHBondContact O-N 3.04Å; Y190-R192 VanDerWaalsContact C-N 3.33Å; Y190-R192 PolarHBondContact O-N 3.04Å; Y190-F193 WeakPolarHBondContact O-CB 3.46Å; Y190-F193 PolarHBondContact O-N 3.45Å; Y190-F193 VanDerWaalsContact O-N 3.14Å; Y190-I194 HydrophobicContact CD1-CD1 4.26Å; Y190-I194 HydrophobicContact CD2-CG2 4.37Å; Y190-I194 HydrophobicContact CE1-CD1 3.64Å; Y190-I194 HydrophobicContact CE1-CG2 4.36Å; Y190-I194 HydrophobicContact CE2-CG2 3.79Å; Y190-I194 WeakPolarHBondContact O-CG1 3.35Å; Y190-I194 PolarHBondContact O-N 3.48Å; Y190-L228 HydrophobicContact CD1-CD2 3.69Å; Y190-L228 HydrophobicContact CE1-CD2 3.99Å
191L95.6Very high95Very high8 Ų835.7 Ų35.74%0.04218%0.179CC..Hα-helixtrans-57.3-45.6178.7-73.9169.7000111.4S187 E188 F193 I194 Q195 F223 L228 V229 V232S187-L191 VanDerWaalsContact O-CG 3.31Å; S187-L191 WeakPolarHBondContact O-CG 3.46Å; S187-L191 PolarHBondContact O-N 3.17Å; E188-L191 PolarHBondContact O-N 3.47Å; L191-F193 PolarHBondContact O-N 2.94Å; L191-I194 HydrophobicContact CD2-CD1 4.35Å; L191-I194 WeakPolarHBondContact O-CG1 3.23Å; L191-I194 PolarHBondContact O-N 3.15Å; L191-Q195 WeakPolarHBondContact O-CB 3.46Å; L191-Q195 VanDerWaalsContact O-CG 3.24Å; L191-Q195 WeakPolarHBondContact O-CG 3.34Å; L191-Q195 PolarHBondContact O-N 3.24Å; L191-F223 HydrophobicContact CD2-CD1 4.37Å; L191-F223 HydrophobicContact CD2-CE1 4.35Å; L191-L228 HydrophobicContact CD1-CD2 4.48Å; L191-L228 HydrophobicContact CD1-CG 4.41Å; L191-L228 HydrophobicContact CD2-CD2 3.94Å; L191-L228 HydrophobicContact CD2-CG 4.39Å; L191-L228 HydrophobicContact CG-CD2 4.02Å; L191-L228 HydrophobicContact CG-CG 4.46Å; L191-V229 HydrophobicContact CD1-CG2 4.04Å; L191-V229 HydrophobicContact CD2-CG2 3.85Å; L191-V232 HydrophobicContact CD1-CG2 4.42Å
192R93Very high94.7Very high57 Ų5735.5 Ų35.522%0.21518%0.178CC..Hα-helixtrans-63-42.4175.8-70.3173.8-156.8179.51.5112.1E188 Y190 Q195 R196 G288E188-R192 WeakPolarHBondContact O-CB 3.36Å; E188-R192 VanDerWaalsContact O-CG 3.28Å; E188-R192 WeakPolarHBondContact O-CG 3.39Å; E188-R192 PolarHBondContact O-N 3.33Å; E188-R192 IonicContact OE2-CZ 3.6Å; E188-R192 IonicContact OE2-NE 2.77Å; E188-R192 PolarHBondContact OE2-NE 3.37Å; E188-R192 IonicContact OE2-NH2 3.54Å; E188-R192 PolarHBondContact OE2-NH2 2.93Å; Y190-R192 VanDerWaalsContact C-N 3.33Å; Y190-R192 PolarHBondContact O-N 3.04Å; R192-Q195 PolarHBondContact O-N 3.46Å; R192-R196 VanDerWaalsContact O-CB 3.28Å; R192-R196 WeakPolarHBondContact O-CB 3.41Å; R192-R196 WeakPolarHBondContact O-CG 3.37Å; R192-R196 PolarHBondContact O-N 3.33Å; R192-G288 PolarHBondContact NH2-O 3.25Å; R192-G288 VanDerWaalsContact NH2-O 3.08Å
193F95.2Very high94.5Very high59 Ų5939.3 Ų39.326%0.25919%0.194SC..Hα-helixtrans-57.6-50.6177.3160.8-103000111.5A80 K84 L189 Y190 L191 R197A80-F193 HydrophobicContact CB-CD1 4.02Å; A80-F193 HydrophobicContact CB-CE1 3.83Å; A80-F193 HydrophobicContact CB-CZ 4.45Å; K84-F193 HydrophobicContact CB-CZ 4.31Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 3.42Å; Y190-F193 WeakPolarHBondContact O-CB 3.46Å; Y190-F193 PolarHBondContact O-N 3.45Å; Y190-F193 VanDerWaalsContact O-N 3.14Å; L191-F193 PolarHBondContact O-N 2.94Å; F193-R197 WeakPolarHBondContact O-CB 3.29Å; F193-R197 PolarHBondContact O-N 2.62Å
194I95.9Very high94.2Very high1 Ų144.6 Ų44.61%0.00522%0.219CC..Hα-helixtrans-69.4-39.7-178.661.4177.5000112.2L83 V103 H107 Y190 L191 R197 I198 F223L83-I194 HydrophobicContact CD1-CG2 4.13Å; V103-I194 HydrophobicContact CG1-CB 4.03Å; V103-I194 HydrophobicContact CG1-CG2 4.25Å; H107-I194 WeakPolarHBondContact ND1-CD1 3.49Å; Y190-I194 HydrophobicContact CD1-CD1 4.26Å; Y190-I194 HydrophobicContact CD2-CG2 4.37Å; Y190-I194 HydrophobicContact CE1-CD1 3.64Å; Y190-I194 HydrophobicContact CE1-CG2 4.36Å; Y190-I194 HydrophobicContact CE2-CG2 3.79Å; Y190-I194 WeakPolarHBondContact O-CG1 3.35Å; Y190-I194 PolarHBondContact O-N 3.48Å; L191-I194 HydrophobicContact CD2-CD1 4.35Å; L191-I194 WeakPolarHBondContact O-CG1 3.23Å; L191-I194 PolarHBondContact O-N 3.15Å; I194-R197 PolarHBondContact O-N 3.23Å; I194-I198 WeakPolarHBondContact O-CD1 3.43Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.36Å; I194-I198 PolarHBondContact O-N 2.7Å; I194-F223 HydrophobicContact CD1-CE1 3.53Å; I194-F223 HydrophobicContact CD1-CZ 3.83Å; I194-F223 HydrophobicContact CG1-CE1 4.06Å; I194-F223 HydrophobicContact CG1-CZ 3.97Å
195Q94.6Very high93.7Very high77 Ų7745.4 Ų45.436%0.3622%0.224SC..Hα-helixtrans-64.1-43.6177.7-76.2176.1-14.100111.9L191 R192 R197 I198 S199 F223L191-Q195 WeakPolarHBondContact O-CB 3.46Å; L191-Q195 VanDerWaalsContact O-CG 3.24Å; L191-Q195 WeakPolarHBondContact O-CG 3.34Å; L191-Q195 PolarHBondContact O-N 3.24Å; R192-Q195 PolarHBondContact O-N 3.46Å; Q195-R197 VanDerWaalsContact C-N 3.34Å; Q195-I198 PolarHBondContact O-N 3.08Å; Q195-S199 VanDerWaalsContact O-CB 3.26Å; Q195-S199 WeakPolarHBondContact O-CB 3.39Å; Q195-S199 PolarHBondContact O-N 2.89Å; Q195-S199 PolarHBondContact O-OG 3.36Å; Q195-F223 HydrophobicContact CG-CD2 4.07Å; Q195-F223 HydrophobicContact CG-CE1 4.16Å; Q195-F223 HydrophobicContact CG-CE2 3.6Å; Q195-F223 HydrophobicContact CG-CZ 3.66Å
196R92.9Very high93.4Very high92 Ų9251.7 Ų51.735%0.34726%0.256SS..Hα-helixtrans-61.2-43.9174.6-76.3172178151.3-0.6111.4R192 S199 A200 N406R192-R196 VanDerWaalsContact O-CB 3.28Å; R192-R196 WeakPolarHBondContact O-CB 3.41Å; R192-R196 WeakPolarHBondContact O-CG 3.37Å; R192-R196 PolarHBondContact O-N 3.33Å; R196-S199 PolarHBondContact O-N 2.66Å; R196-A200 WeakPolarHBondContact O-CB 3.5Å; R196-A200 PolarHBondContact O-N 3.46Å; R196-N406 VanDerWaalsContact CD-O 3.28Å; R196-N406 WeakPolarHBondContact CD-O 3.47Å; R196-N406 PolarHBondContact NE-O 2.95Å; R196-N406 VanDerWaalsContact NH2-CB 3.27Å
197R93.1Very high93.1Very high61 Ų6154.5 Ų54.523%0.2327%0.27CS..Hα-helixtrans-63.5-46180-167.1169.1-171.581.17.3112.2S87 F193 I194 Q195 D201S87-R197 PolarHBondContact OG-NE 3.23Å; S87-R197 PolarHBondContact OG-NH2 3.17Å; F193-R197 WeakPolarHBondContact O-CB 3.29Å; F193-R197 PolarHBondContact O-N 2.62Å; I194-R197 PolarHBondContact O-N 3.23Å; Q195-R197 VanDerWaalsContact C-N 3.34Å; R197-D201 WeakPolarHBondContact O-CB 3.37Å; R197-D201 PolarHBondContact O-N 3.03Å; R197-D201 VanDerWaalsContact O-N 3.13Å
198I94.9Very high92.8Very high1 Ų158.1 Ų58.11%0.00529%0.292CS..Hα-helixtrans-63.5-43.9175.2-67.1161000110.7F100 V103 I194 Q195 A200 D201 I202 I219 F223F100-I198 HydrophobicContact CB-CG2 4.23Å; F100-I198 HydrophobicContact CD2-CD1 3.92Å; F100-I198 HydrophobicContact CD2-CG1 4.41Å; F100-I198 HydrophobicContact CD2-CG2 4.2Å; V103-I198 HydrophobicContact CB-CD1 4.14Å; V103-I198 HydrophobicContact CB-CG1 4.34Å; V103-I198 HydrophobicContact CG1-CD1 3.72Å; V103-I198 HydrophobicContact CG1-CG1 4.31Å; V103-I198 HydrophobicContact CG2-CG1 4.39Å; I194-I198 WeakPolarHBondContact O-CD1 3.43Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.36Å; I194-I198 PolarHBondContact O-N 2.7Å; Q195-I198 PolarHBondContact O-N 3.08Å; I198-A200 PolarHBondContact O-N 3.38Å; I198-D201 PolarHBondContact O-N 3.27Å; I198-I202 HydrophobicContact CG2-CD1 3.57Å; I198-I202 HydrophobicContact CG2-CG1 4.44Å; I198-I202 WeakPolarHBondContact O-CD1 3.38Å; I198-I202 VanDerWaalsContact O-CG1 3.3Å; I198-I202 WeakPolarHBondContact O-CG1 3.42Å; I198-I202 PolarHBondContact O-N 3.37Å; I198-I202 VanDerWaalsContact O-N 3.07Å; I198-I219 HydrophobicContact CG2-CD1 3.62Å; I198-I219 HydrophobicContact CG2-CG1 4.17Å; I198-I219 HydrophobicContact CG2-CG2 4.2Å; I198-F223 HydrophobicContact CD1-CE2 4.06Å; I198-F223 HydrophobicContact CD1-CZ 3.95Å
199S92.4Very high92.7Very high58 Ų5862.9 Ų62.941%0.40631%0.314SS..Hα-helixtrans-63.8-40.8-179.3-60.90000112.2Q195 R196 K203Q195-S199 VanDerWaalsContact O-CB 3.26Å; Q195-S199 WeakPolarHBondContact O-CB 3.39Å; Q195-S199 PolarHBondContact O-N 2.89Å; Q195-S199 PolarHBondContact O-OG 3.36Å; R196-S199 PolarHBondContact O-N 2.66Å; S199-K203 WeakPolarHBondContact O-CB 3.36Å; S199-K203 VanDerWaalsContact O-CG 3.25Å; S199-K203 WeakPolarHBondContact O-CG 3.39Å; S199-K203 PolarHBondContact O-N 3.11Å; S199-K203 VanDerWaalsContact O-N 3.09Å
200A92.2Very high92.6Very high47 Ų4763 Ų6339%0.38832%0.315SS..Hα-helixtrans-64.5-43.9176.100000112R196 I198 I202 K203 Q204R196-A200 WeakPolarHBondContact O-CB 3.5Å; R196-A200 PolarHBondContact O-N 3.46Å; I198-A200 PolarHBondContact O-N 3.38Å; A200-I202 PolarHBondContact O-N 2.87Å; A200-K203 PolarHBondContact O-N 3.49Å; A200-Q204 WeakPolarHBondContact O-CG 3.24Å; A200-Q204 PolarHBondContact O-N 3.27Å
201D94.1Very high92.4Very high4 Ų465.7 Ų65.72%0.02133%0.33CS..Hα-helixtrans-59.4-44.5177.7-177.649.1000112.3P96 G97 N98 I99 R197 I198 Q204 S205P96-D201 WeakPolarHBondContact CA-OD1 3.46Å; G97-D201 WeakPolarHBondContact CA-OD2 3.4Å; G97-D201 PolarHBondContact N-OD1 3.15Å; G97-D201 PolarHBondContact N-OD2 3.23Å; N98-D201 PolarHBondContact N-OD2 3.04Å; N98-D201 VanDerWaalsContact N-OD2 3.13Å; I99-D201 HydrophobicContact CB-CB 4.13Å; I99-D201 VanDerWaalsContact CB-OD2 3.28Å; I99-D201 WeakPolarHBondContact CB-OD2 3.32Å; I99-D201 HydrophobicContact CD1-CB 3.89Å; I99-D201 HydrophobicContact CG1-CB 4.18Å; I99-D201 PolarHBondContact N-OD2 3.23Å; R197-D201 WeakPolarHBondContact O-CB 3.37Å; R197-D201 PolarHBondContact O-N 3.03Å; R197-D201 VanDerWaalsContact O-N 3.13Å; I198-D201 PolarHBondContact O-N 3.27Å; D201-Q204 PolarHBondContact O-N 2.9Å; D201-S205 PolarHBondContact O-N 3.4Å
202I92.3Very high92.2Very high8 Ų869.1 Ų69.14%0.04135%0.345CS..Hα-helixtrans-73.6-35.6-177.6-64166.1000111.3I198 A200 Q204 S205 L207 F212 K215 I219I198-I202 HydrophobicContact CG2-CD1 3.57Å; I198-I202 HydrophobicContact CG2-CG1 4.44Å; I198-I202 WeakPolarHBondContact O-CD1 3.38Å; I198-I202 VanDerWaalsContact O-CG1 3.3Å; I198-I202 WeakPolarHBondContact O-CG1 3.42Å; I198-I202 PolarHBondContact O-N 3.37Å; I198-I202 VanDerWaalsContact O-N 3.07Å; A200-I202 PolarHBondContact O-N 2.87Å; I202-Q204 PolarHBondContact O-N 3.02Å; I202-S205 WeakPolarHBondContact O-CB 3.5Å; I202-S205 PolarHBondContact O-N 2.93Å; I202-S205 PolarHBondContact O-OG 2.99Å; I202-L207 HydrophobicContact CG2-CD1 4.11Å; I202-F212 HydrophobicContact CG2-CD2 3.65Å; I202-F212 HydrophobicContact CG2-CE2 3.62Å; I202-K215 HydrophobicContact CD1-CG 4.02Å; I202-I219 HydrophobicContact CD1-CD1 2.96Å; I202-I219 HydrophobicContact CD1-CG1 4.4Å; I202-I219 HydrophobicContact CG1-CD1 4.43Å
203K90.5Very high92.2Very high146 Ų14671.2 Ų71.264%0.63536%0.355SS*.Hα-helixtrans-61.3-26.9173-75.4174-177.7-179.80112.6S199 A200S199-K203 WeakPolarHBondContact O-CB 3.36Å; S199-K203 VanDerWaalsContact O-CG 3.25Å; S199-K203 WeakPolarHBondContact O-CG 3.39Å; S199-K203 PolarHBondContact O-N 3.11Å; S199-K203 VanDerWaalsContact O-N 3.09Å; A200-K203 PolarHBondContact O-N 3.49Å
204Q91.2Very high92.2Very high111 Ų11174.7 Ų74.752%0.51937%0.37SS..Hα-helixtrans-85.4-13.4175.3-66.6178.114.500113.5P96 A200 D201 I202P96-Q204 HydrophobicContact CB-CB 3.96Å; A200-Q204 WeakPolarHBondContact O-CG 3.24Å; A200-Q204 PolarHBondContact O-N 3.27Å; D201-Q204 PolarHBondContact O-N 2.9Å; I202-Q204 PolarHBondContact O-N 3.02Å
205S88.1Confident92Very high16 Ų1677.1 Ų77.111%0.11238%0.381CS..SBendtrans-76.8134.1176.970.50000110.6D201 I202 L207D201-S205 PolarHBondContact O-N 3.4Å; I202-S205 WeakPolarHBondContact O-CB 3.5Å; I202-S205 PolarHBondContact O-N 2.93Å; I202-S205 PolarHBondContact O-OG 2.99Å; S205-L207 PolarHBondContact O-N 3.34Å; S205-L207 WeakPolarHBondContact OG-CD1 3.46Å; S205-L207 VanDerWaalsContact OG-CG 3.24Å; S205-L207 WeakPolarHBondContact OG-CG 3.49Å
206N88Confident91.9Very high174 Ų17475.8 Ų75.893%0.9338%0.38SS*.  trans-76.249.3179.4-68.4-36.4000111.9
207L88.8Confident92Very high75 Ų7575.9 Ų75.939%0.39339%0.388SS..  trans-76.3149.4179.6-66.1174.2000111I202 S205 D211 F212 K215I202-L207 HydrophobicContact CG2-CD1 4.11Å; S205-L207 PolarHBondContact O-N 3.34Å; S205-L207 WeakPolarHBondContact OG-CD1 3.46Å; S205-L207 VanDerWaalsContact OG-CG 3.24Å; S205-L207 WeakPolarHBondContact OG-CG 3.49Å; L207-D211 HydrophobicContact CB-CB 4.28Å; L207-D211 HydrophobicContact CD2-CB 4.19Å; L207-F212 HydrophobicContact CB-CB 4.33Å; L207-K215 HydrophobicContact CD1-CB 4.43Å
208T91.2Very high92.1Very high78 Ų7877.4 Ų77.448%0.47940%0.398SS..  trans-65.3158165.369.50000109.8D210 D211 F212T208-D210 PolarHBondContact O-N 3.26Å; T208-D211 PolarHBondContact O-N 2.88Å; T208-D211 VanDerWaalsContact O-N 3.12Å; T208-D211 WeakPolarHBondContact OG1-CB 3.28Å; T208-D211 PolarHBondContact OG1-N 2.91Å; T208-D211 PolarHBondContact OG1-OD2 3.01Å; T208-F212 WeakPolarHBondContact O-CB 3.45Å; T208-F212 PolarHBondContact O-N 3.49Å
209E91.1Very high92.1Very high136 Ų13678.2 Ų78.264%0.63640%0.401SS*.Hα-helixtrans-57.3-37.2178.8-166.6-174.6155.500112.1K213E209-K213 WeakPolarHBondContact O-CG 3.33Å; E209-K213 PolarHBondContact O-N 3.38Å; E209-K213 WeakPolarHBondContact OE1-CE 3.28Å; E209-K213 IonicContact OE1-NZ 3.81Å; E209-K213 PolarHBondContact OE1-NZ 3.42Å
210D93.1Very high92.2Very high107 Ų10778 Ų7857%0.57240%0.4SS*.Hα-helixtrans-68.1-41.5176.9-73.1-22.1000112.3T208 K213 K214T208-D210 PolarHBondContact O-N 3.26Å; D210-K213 PolarHBondContact O-N 2.96Å; D210-K214 VanDerWaalsContact O-CG 3.32Å; D210-K214 WeakPolarHBondContact O-CG 3.49Å; D210-K214 PolarHBondContact O-N 3.34Å
211D92.5Very high92.4Very high63 Ų6382.6 Ų82.634%0.33741%0.411SS..Hα-helixtrans-72.5-35.2178.6-63.1-35.7000111.7L207 T208 K214 K215L207-D211 HydrophobicContact CB-CB 4.28Å; L207-D211 HydrophobicContact CD2-CB 4.19Å; T208-D211 PolarHBondContact O-N 2.88Å; T208-D211 VanDerWaalsContact O-N 3.12Å; T208-D211 WeakPolarHBondContact OG1-CB 3.28Å; T208-D211 PolarHBondContact OG1-N 2.91Å; T208-D211 PolarHBondContact OG1-OD2 3.01Å; D211-K214 PolarHBondContact O-N 3.29Å; D211-K214 IonicContact OD1-NZ 4Å; D211-K214 PolarHBondContact OD1-NZ 2.92Å; D211-K215 WeakPolarHBondContact O-CB 3.39Å; D211-K215 PolarHBondContact O-N 3.44Å
212F92.1Very high92.5Very high81 Ų8184.1 Ų84.136%0.35542%0.418SS..Hα-helixtrans-59.4-48170.8-179.2-89.2000111I202 L207 T208 K214 K215 S216I202-F212 HydrophobicContact CG2-CD2 3.65Å; I202-F212 HydrophobicContact CG2-CE2 3.62Å; L207-F212 HydrophobicContact CB-CB 4.33Å; T208-F212 WeakPolarHBondContact O-CB 3.45Å; T208-F212 PolarHBondContact O-N 3.49Å; F212-K214 PolarHBondContact O-N 3.19Å; F212-K215 PolarHBondContact O-N 3.26Å; F212-S216 WeakPolarHBondContact O-CB 3.41Å; F212-S216 PolarHBondContact O-N 3.19Å
213K92.8Very high92.6Very high100 Ų10084.3 Ų84.344%0.43542%0.418SS..Hα-helixtrans-61-43.8176.3-75.8172.5-173.6163.20112.1E209 D210 S216 N217E209-K213 WeakPolarHBondContact O-CG 3.33Å; E209-K213 PolarHBondContact O-N 3.38Å; E209-K213 WeakPolarHBondContact OE1-CE 3.28Å; E209-K213 IonicContact OE1-NZ 3.81Å; E209-K213 PolarHBondContact OE1-NZ 3.42Å; D210-K213 PolarHBondContact O-N 2.96Å; K213-S216 PolarHBondContact O-N 3.29Å; K213-N217 WeakPolarHBondContact O-CB 3.32Å; K213-N217 PolarHBondContact O-N 3.42Å; K213-N217 PolarHBondContact O-ND2 2.99Å
214K94.1Very high92.7Very high132 Ų13284.1 Ų84.157%0.57442%0.42SS*.Hα-helixtrans-60.6-46.5175.9-72.7171.3-163.6158.30111.7D210 D211 F212 N217 E218D210-K214 VanDerWaalsContact O-CG 3.32Å; D210-K214 WeakPolarHBondContact O-CG 3.49Å; D210-K214 PolarHBondContact O-N 3.34Å; D211-K214 PolarHBondContact O-N 3.29Å; D211-K214 IonicContact OD1-NZ 4Å; D211-K214 PolarHBondContact OD1-NZ 2.92Å; F212-K214 PolarHBondContact O-N 3.19Å; K214-N217 PolarHBondContact O-N 2.98Å; K214-E218 PolarHBondContact O-N 3.08Å
215K92.2Very high92.8Very high52 Ų5283 Ų8323%0.22642%0.424CS..Hα-helixtrans-65-44.2179.6-163.274.8-163.4161.30111.4I202 L207 D211 F212 N217 E218 I219I202-K215 HydrophobicContact CD1-CG 4.02Å; L207-K215 HydrophobicContact CD1-CB 4.43Å; D211-K215 WeakPolarHBondContact O-CB 3.39Å; D211-K215 PolarHBondContact O-N 3.44Å; F212-K215 PolarHBondContact O-N 3.26Å; K215-N217 VanDerWaalsContact C-N 3.32Å; K215-N217 PolarHBondContact O-N 3.25Å; K215-E218 WeakPolarHBondContact CD-OE2 3.28Å; K215-E218 WeakPolarHBondContact CE-OE2 3.42Å; K215-E218 IonicContact NZ-OE1 3.27Å; K215-E218 PolarHBondContact NZ-OE1 2.75Å; K215-E218 IonicContact NZ-OE2 3.49Å; K215-E218 PolarHBondContact NZ-OE2 2.97Å; K215-E218 WeakPolarHBondContact O-CB 3.39Å; K215-E218 PolarHBondContact O-N 3.38Å; K215-I219 HydrophobicContact CG-CD1 4.06Å; K215-I219 VanDerWaalsContact O-CD1 3.25Å; K215-I219 WeakPolarHBondContact O-CD1 3.41Å; K215-I219 WeakPolarHBondContact O-CG1 3.42Å; K215-I219 PolarHBondContact O-N 3.17Å
216S92.3Very high93.2Very high49 Ų4982.4 Ų82.434%0.34342%0.42SS..Hα-helixtrans-58.1-44.5175-168.50000111.4F212 K213 I219 S220F212-S216 WeakPolarHBondContact O-CB 3.41Å; F212-S216 PolarHBondContact O-N 3.19Å; K213-S216 PolarHBondContact O-N 3.29Å; S216-I219 PolarHBondContact O-N 3.4Å; S216-S220 PolarHBondContact O-N 3.48Å; S216-S220 PolarHBondContact O-OG 2.79Å
217N94.4Very high93.7Very high95 Ų9577.3 Ų77.351%0.50839%0.391SS..Hα-helixtrans-66-36.8177.3-72.4-21.1000112.9K213 K214 K215 I219 K221K213-N217 WeakPolarHBondContact O-CB 3.32Å; K213-N217 PolarHBondContact O-N 3.42Å; K213-N217 PolarHBondContact O-ND2 2.99Å; K214-N217 PolarHBondContact O-N 2.98Å; K215-N217 VanDerWaalsContact C-N 3.32Å; K215-N217 PolarHBondContact O-N 3.25Å; N217-I219 VanDerWaalsContact C-N 3.31Å; N217-K221 WeakPolarHBondContact O-CB 3.38Å; N217-K221 WeakPolarHBondContact O-CG 3.03Å; N217-K221 PolarHBondContact O-N 3.48Å
218E95.3Very high94.1Very high93 Ų9373.8 Ų73.844%0.43537%0.372SS..Hα-helixtrans-60.2-43174-174.2-169.8164.800111F100 K214 K215 F222F100-E218 HydrophobicContact CE1-CG 4.12Å; F100-E218 WeakPolarHBondContact CE1-OE1 3.28Å; K214-E218 PolarHBondContact O-N 3.08Å; K215-E218 WeakPolarHBondContact CD-OE2 3.28Å; K215-E218 WeakPolarHBondContact CE-OE2 3.42Å; K215-E218 IonicContact NZ-OE1 3.27Å; K215-E218 PolarHBondContact NZ-OE1 2.75Å; K215-E218 IonicContact NZ-OE2 3.49Å; K215-E218 PolarHBondContact NZ-OE2 2.97Å; K215-E218 WeakPolarHBondContact O-CB 3.39Å; K215-E218 PolarHBondContact O-N 3.38Å; E218-F222 PolarHBondContact O-N 3.36Å
219I95Very high94.3Very high17 Ų1771.5 Ų71.59%0.08736%0.358CS..Hα-helixtrans-70-43.8-179.8-68.3154.9000111.6F100 I198 I202 K215 S216 N217 K221 F222 F223F100-I219 HydrophobicContact CD1-CG1 4.18Å; F100-I219 HydrophobicContact CD2-CD1 4.37Å; F100-I219 HydrophobicContact CD2-CG1 3.63Å; F100-I219 HydrophobicContact CE1-CG1 4.14Å; F100-I219 HydrophobicContact CE2-CB 4.25Å; F100-I219 HydrophobicContact CE2-CG1 3.58Å; F100-I219 HydrophobicContact CE2-CG2 4.37Å; F100-I219 HydrophobicContact CG-CD1 4.39Å; F100-I219 HydrophobicContact CG-CG1 3.92Å; F100-I219 HydrophobicContact CZ-CG1 3.84Å; I198-I219 HydrophobicContact CG2-CD1 3.62Å; I198-I219 HydrophobicContact CG2-CG1 4.17Å; I198-I219 HydrophobicContact CG2-CG2 4.2Å; I202-I219 HydrophobicContact CD1-CD1 2.96Å; I202-I219 HydrophobicContact CD1-CG1 4.4Å; I202-I219 HydrophobicContact CG1-CD1 4.43Å; K215-I219 HydrophobicContact CG-CD1 4.06Å; K215-I219 VanDerWaalsContact O-CD1 3.25Å; K215-I219 WeakPolarHBondContact O-CD1 3.41Å; K215-I219 WeakPolarHBondContact O-CG1 3.42Å; K215-I219 PolarHBondContact O-N 3.17Å; S216-I219 PolarHBondContact O-N 3.4Å; N217-I219 VanDerWaalsContact C-N 3.31Å; I219-K221 VanDerWaalsContact C-N 3.34Å; I219-K221 PolarHBondContact O-N 3.4Å; I219-F222 WeakPolarHBondContact O-CB 3.44Å; I219-F222 PolarHBondContact O-N 3.37Å; I219-F223 HydrophobicContact CG2-CD2 3.85Å; I219-F223 HydrophobicContact CG2-CE2 3.72Å; I219-F223 VanDerWaalsContact O-CD2 3.28Å; I219-F223 WeakPolarHBondContact O-CD2 3.46Å; I219-F223 PolarHBondContact O-N 2.9Å; I219-F223 VanDerWaalsContact O-N 3.1Å
220S94.4Very high94.5Very high54 Ų5467.6 Ų67.638%0.37835%0.345SS..Hα-helixtrans-57.3-48.6174.5-64.50000111.1S216 F222 F223 E224S216-S220 PolarHBondContact O-N 3.48Å; S216-S220 PolarHBondContact O-OG 2.79Å; S220-F222 VanDerWaalsContact C-N 3.31Å; S220-F222 PolarHBondContact O-N 3.15Å; S220-F223 PolarHBondContact O-N 2.81Å; S220-E224 WeakPolarHBondContact O-CG 3.34Å; S220-E224 PolarHBondContact O-N 2.94Å
221K95.8Very high94.7Very high144 Ų14463.1 Ų63.163%0.62632%0.321SS*.Hα-helixtrans-61.1-38177.2-74.6178.6180-176.70113.1N217 I219 E224 S225N217-K221 WeakPolarHBondContact O-CB 3.38Å; N217-K221 WeakPolarHBondContact O-CG 3.03Å; N217-K221 PolarHBondContact O-N 3.48Å; I219-K221 VanDerWaalsContact C-N 3.34Å; I219-K221 PolarHBondContact O-N 3.4Å; K221-E224 PolarHBondContact O-N 3.22Å; K221-S225 PolarHBondContact O-N 2.86Å; K221-S225 VanDerWaalsContact O-N 3.09Å; K221-S225 PolarHBondContact O-OG 3.03Å
222F96.2Very high94.9Very high36 Ų3660.2 Ų60.216%0.15831%0.305CS..Hα-helixtrans-58.7-49.9175.3173.4-98.3000111F100 H107 E218 I219 S220 S225 S226F100-F222 HydrophobicContact CE2-CB 4.19Å; F100-F222 AromaticContact CE2-CD1 3.98Å; F100-F222 HydrophobicContact CE2-CD1 3.98Å; F100-F222 HydrophobicContact CE2-CG 4.05Å; F100-F222 HydrophobicContact CZ-CB 3.86Å; F100-F222 HydrophobicContact CZ-CD1 4.38Å; F100-F222 HydrophobicContact CZ-CD2 4.48Å; F100-F222 AromaticContact CZ-CG 3.98Å; F100-F222 HydrophobicContact CZ-CG 3.98Å; H107-F222 HydrophobicContact CB-CE1 4.16Å; H107-F222 HydrophobicContact CB-CZ 3.92Å; H107-F222 AromaticContact CD2-CE1 3.58Å; H107-F222 AromaticContact CD2-CZ 3.55Å; H107-F222 AromaticContact CG-CE1 3.99Å; E218-F222 PolarHBondContact O-N 3.36Å; I219-F222 WeakPolarHBondContact O-CB 3.44Å; I219-F222 PolarHBondContact O-N 3.37Å; S220-F222 VanDerWaalsContact C-N 3.31Å; S220-F222 PolarHBondContact O-N 3.15Å; F222-S225 PolarHBondContact O-N 3.18Å; F222-S225 PolarHBondContact O-OG 3.45Å; F222-S226 PolarHBondContact O-N 3.46Å
223F95Very high95.1Very high12 Ų1262 Ų625%0.05332%0.315CS..Hα-helixtrans-69-36178.6-75.5-65000113.5L191 I194 Q195 I198 I219 S220 S225 S226 V229L191-F223 HydrophobicContact CD2-CD1 4.37Å; L191-F223 HydrophobicContact CD2-CE1 4.35Å; I194-F223 HydrophobicContact CD1-CE1 3.53Å; I194-F223 HydrophobicContact CD1-CZ 3.83Å; I194-F223 HydrophobicContact CG1-CE1 4.06Å; I194-F223 HydrophobicContact CG1-CZ 3.97Å; Q195-F223 HydrophobicContact CG-CD2 4.07Å; Q195-F223 HydrophobicContact CG-CE1 4.16Å; Q195-F223 HydrophobicContact CG-CE2 3.6Å; Q195-F223 HydrophobicContact CG-CZ 3.66Å; I198-F223 HydrophobicContact CD1-CE2 4.06Å; I198-F223 HydrophobicContact CD1-CZ 3.95Å; I219-F223 HydrophobicContact CG2-CD2 3.85Å; I219-F223 HydrophobicContact CG2-CE2 3.72Å; I219-F223 VanDerWaalsContact O-CD2 3.28Å; I219-F223 WeakPolarHBondContact O-CD2 3.46Å; I219-F223 PolarHBondContact O-N 2.9Å; I219-F223 VanDerWaalsContact O-N 3.1Å; S220-F223 PolarHBondContact O-N 2.81Å; F223-S225 PolarHBondContact O-N 3.17Å; F223-S226 WeakPolarHBondContact O-CB 3.05Å; F223-S226 PolarHBondContact O-N 2.94Å; F223-S226 VanDerWaalsContact O-N 3.09Å; F223-V229 WeakPolarHBondContact O-CG2 3.39Å
224E93Very high95.2Very high142 Ų14260.1 Ų60.166%0.66431%0.309SS*.Hα-helixtrans-59-32.2172.4-74.4167.9-168.400112.2S220 K221S220-E224 WeakPolarHBondContact O-CG 3.34Å; S220-E224 PolarHBondContact O-N 2.94Å; K221-E224 PolarHBondContact O-N 3.22Å
225S93.6Very high95.4Very high88 Ų8853.9 Ų53.962%0.61528%0.282SS*.THydrogen-bonded Turntrans-90.5-2.717770.30000114.7K221 F222 F223K221-S225 PolarHBondContact O-N 2.86Å; K221-S225 VanDerWaalsContact O-N 3.09Å; K221-S225 PolarHBondContact O-OG 3.03Å; F222-S225 PolarHBondContact O-N 3.18Å; F222-S225 PolarHBondContact O-OG 3.45Å; F223-S225 PolarHBondContact O-N 3.17Å
226S96.7Very high95.6Very high2 Ų251.9 Ų51.91%0.01427%0.274CS..  trans-69.3136.3-176.8166.70000111.4H107 D111 F222 F223 L228 V229 C230H107-S226 PolarHBondContact NE2-OG 2.91Å; D111-S226 PolarHBondContact OD1-OG 3.03Å; D111-S226 PolarHBondContact OD2-OG 3.31Å; F222-S226 PolarHBondContact O-N 3.46Å; F223-S226 WeakPolarHBondContact O-CB 3.05Å; F223-S226 PolarHBondContact O-N 2.94Å; F223-S226 VanDerWaalsContact O-N 3.09Å; S226-L228 PolarHBondContact OG-N 3.01Å; S226-V229 PolarHBondContact O-N 2.94Å; S226-V229 PolarHBondContact OG-N 3.37Å; S226-C230 PolarHBondContact O-N 3.49Å; S226-C230 PolarHBondContact O-SG 3.15Å
227Q97Very high95.8Very high68 Ų6852.6 Ų52.632%0.31828%0.279SS..Hα-helixtrans-66.5-40.8175.3-176.363.435.500111.5D111 K115 V229 C230 Q231D111-Q227 HydrophobicContact CB-CB 3.83Å; D111-Q227 PolarHBondContact OD1-N 2.93Å; D111-Q227 PolarHBondContact OD2-N 3.24Å; K115-Q227 HydrophobicContact CB-CG 4.22Å; K115-Q227 HydrophobicContact CD-CG 3.88Å; K115-Q227 HydrophobicContact CG-CG 4.45Å; Q227-V229 VanDerWaalsContact C-N 3.33Å; Q227-V229 PolarHBondContact O-N 2.98Å; Q227-C230 WeakPolarHBondContact O-CB 3.49Å; Q227-C230 PolarHBondContact O-N 3.27Å; Q227-Q231 HydrophobicContact CG-CG 4.32Å; Q227-Q231 WeakPolarHBondContact O-CB 3.4Å; Q227-Q231 VanDerWaalsContact O-CG 3.26Å; Q227-Q231 WeakPolarHBondContact O-CG 3.36Å; Q227-Q231 PolarHBondContact O-N 3.45Å
228L97.5Very high95.9Very high1 Ų148.7 Ų48.71%0.00526%0.257CS..Hα-helixtrans-59-44.3177.9-178.960.7000111.4V110 D111 V114 Y190 L191 S226 Q231 V232V110-L228 HydrophobicContact CG1-CD2 4.05Å; D111-L228 WeakPolarHBondContact OD1-CB 3.44Å; D111-L228 PolarHBondContact OD1-N 3.47Å; V114-L228 HydrophobicContact CB-CD1 4.18Å; V114-L228 HydrophobicContact CG1-CD1 3.61Å; Y190-L228 HydrophobicContact CD1-CD2 3.69Å; Y190-L228 HydrophobicContact CE1-CD2 3.99Å; L191-L228 HydrophobicContact CD1-CD2 4.48Å; L191-L228 HydrophobicContact CD1-CG 4.41Å; L191-L228 HydrophobicContact CD2-CD2 3.94Å; L191-L228 HydrophobicContact CD2-CG 4.39Å; L191-L228 HydrophobicContact CG-CD2 4.02Å; L191-L228 HydrophobicContact CG-CG 4.46Å; S226-L228 PolarHBondContact OG-N 3.01Å; L228-Q231 PolarHBondContact O-N 2.92Å; L228-V232 HydrophobicContact CD1-CG2 4.43Å; L228-V232 WeakPolarHBondContact O-CG2 3.48Å; L228-V232 PolarHBondContact O-N 3.13Å
229V96.2Very high96Very high29 Ų2944.2 Ų44.218%0.17624%0.237CC..Hα-helixtrans-60.6-48176.8174.80000110.6L191 F223 S226 Q227 Q231 V232 Q233L191-V229 HydrophobicContact CD1-CG2 4.04Å; L191-V229 HydrophobicContact CD2-CG2 3.85Å; F223-V229 WeakPolarHBondContact O-CG2 3.39Å; S226-V229 PolarHBondContact O-N 2.94Å; S226-V229 PolarHBondContact OG-N 3.37Å; Q227-V229 VanDerWaalsContact C-N 3.33Å; Q227-V229 PolarHBondContact O-N 2.98Å; V229-Q231 VanDerWaalsContact C-N 3.29Å; V229-Q231 PolarHBondContact O-N 3.5Å; V229-V232 PolarHBondContact O-N 3.04Å; V229-Q233 WeakPolarHBondContact O-CG 3.32Å; V229-Q233 PolarHBondContact O-N 3.25Å; V229-Q233 VanDerWaalsContact O-N 3.1Å
230C96.3Very high96Very high55 Ų5544.9 Ų44.937%0.37224%0.24SC..Hα-helixtrans-58.3-40.2175.3-66.20000112.4S226 Q227 Q233 D234S226-C230 PolarHBondContact O-N 3.49Å; S226-C230 PolarHBondContact O-SG 3.15Å; Q227-C230 WeakPolarHBondContact O-CB 3.49Å; Q227-C230 PolarHBondContact O-N 3.27Å; C230-Q233 PolarHBondContact O-N 3.05Å; C230-D234 PolarHBondContact O-N 3.4Å; C230-D234 VanDerWaalsContact O-N 3.08Å
231Q96.5Very high96Very high12 Ų1244 Ų446%0.05623%0.231CC..Hα-helixtrans-69.6-39.4179.7-72.6-170.9-62.300112.9K115 Q227 L228 V229 Q233 D234 L235K115-Q231 VanDerWaalsContact CA-NE2 3.33Å; K115-Q231 VanDerWaalsContact CA-OE1 3.24Å; Q227-Q231 HydrophobicContact CG-CG 4.32Å; Q227-Q231 WeakPolarHBondContact O-CB 3.4Å; Q227-Q231 VanDerWaalsContact O-CG 3.26Å; Q227-Q231 WeakPolarHBondContact O-CG 3.36Å; Q227-Q231 PolarHBondContact O-N 3.45Å; L228-Q231 PolarHBondContact O-N 2.92Å; V229-Q231 VanDerWaalsContact C-N 3.29Å; V229-Q231 PolarHBondContact O-N 3.5Å; Q231-Q233 VanDerWaalsContact C-N 3.31Å; Q231-Q233 PolarHBondContact O-N 3.11Å; Q231-D234 PolarHBondContact O-N 3.11Å; Q231-L235 WeakPolarHBondContact O-CB 3.39Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.37Å; Q231-L235 PolarHBondContact O-N 3.01Å
232V96.9Very high95.9Very high3 Ų337.1 Ų37.12%0.01820%0.201CC..Hα-helixtrans-60.6-43.5173.7170.50000110.2I184 S187 E188 L191 L228 V229 D234 L235 L236I184-V232 HydrophobicContact CG2-CG1 4.46Å; S187-V232 VanDerWaalsContact CB-CG2 3.46Å; E188-V232 HydrophobicContact CG-CG1 4.32Å; L191-V232 HydrophobicContact CD1-CG2 4.42Å; L228-V232 HydrophobicContact CD1-CG2 4.43Å; L228-V232 WeakPolarHBondContact O-CG2 3.48Å; L228-V232 PolarHBondContact O-N 3.13Å; V229-V232 PolarHBondContact O-N 3.04Å; V232-D234 PolarHBondContact O-N 3.11Å; V232-L235 PolarHBondContact O-N 2.72Å; V232-L236 HydrophobicContact CG1-CD1 3.9Å; V232-L236 HydrophobicContact CG1-CG 4.33Å; V232-L236 WeakPolarHBondContact O-CB 3.21Å; V232-L236 VanDerWaalsContact O-CG 3.23Å; V232-L236 WeakPolarHBondContact O-CG 3.35Å; V232-L236 PolarHBondContact O-N 3.2Å
233Q95.6Very high95.9Very high119 Ų11935.4 Ų35.456%0.55619%0.194SC*.Hα-helixtrans-62-40.8176.6-70.3175.9-12.400113.1V229 C230 Q231 S237V229-Q233 WeakPolarHBondContact O-CG 3.32Å; V229-Q233 PolarHBondContact O-N 3.25Å; V229-Q233 VanDerWaalsContact O-N 3.1Å; C230-Q233 PolarHBondContact O-N 3.05Å; Q231-Q233 VanDerWaalsContact C-N 3.31Å; Q231-Q233 PolarHBondContact O-N 3.11Å; Q233-S237 PolarHBondContact O-N 2.94Å; Q233-S237 VanDerWaalsContact O-N 3.09Å; Q233-S237 PolarHBondContact O-OG 3.36Å
234D95.9Very high95.9Very high59 Ų5937 Ų3732%0.31620%0.201SC..Hα-helixtrans-68.4-41.6175.6-177.640.6000112Y122 C230 Q231 V232 S237 K238Y122-D234 VanDerWaalsContact CE2-OD2 3.23Å; Y122-D234 WeakPolarHBondContact CE2-OD2 3.48Å; Y122-D234 VanDerWaalsContact CZ-OD2 3.3Å; Y122-D234 PolarHBondContact OH-OD2 3.4Å; C230-D234 PolarHBondContact O-N 3.4Å; C230-D234 VanDerWaalsContact O-N 3.08Å; Q231-D234 PolarHBondContact O-N 3.11Å; V232-D234 PolarHBondContact O-N 3.11Å; D234-S237 WeakPolarHBondContact O-CB 3.45Å; D234-S237 PolarHBondContact O-N 2.91Å; D234-K238 WeakPolarHBondContact O-CG 3.28Å; D234-K238 PolarHBondContact O-N 3.18Å; D234-K238 IonicContact OD1-NZ 3.95Å; D234-K238 PolarHBondContact OD1-NZ 3.42Å; D234-K238 IonicContact OD2-NZ 3.94Å; D234-K238 PolarHBondContact OD2-NZ 3.08Å
235L97.2Very high95.9Very high1 Ų131 Ų311%0.00517%0.173CC..Hα-helixtrans-61.1-43.5173.8-77.2163.6000111.9V118 F121 Y122 T180 I183 I184 Q231 V232 S237 K238 Y239V118-L235 HydrophobicContact CG1-CD1 4.43Å; V118-L235 HydrophobicContact CG2-CD1 4.37Å; F121-L235 HydrophobicContact CD1-CD2 4.49Å; F121-L235 HydrophobicContact CE1-CD2 4.38Å; Y122-L235 HydrophobicContact CE1-CD2 3.61Å; Y122-L235 HydrophobicContact CE1-CG 4.32Å; T180-L235 HydrophobicContact CG2-CB 4.4Å; T180-L235 HydrophobicContact CG2-CD2 3.94Å; I183-L235 HydrophobicContact CB-CD1 4.47Å; I183-L235 HydrophobicContact CG2-CD1 3.58Å; I184-L235 HydrophobicContact CD1-CB 3.99Å; I184-L235 HydrophobicContact CG1-CB 3.72Å; I184-L235 HydrophobicContact CG1-CD1 4.48Å; Q231-L235 WeakPolarHBondContact O-CB 3.39Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.37Å; Q231-L235 PolarHBondContact O-N 3.01Å; V232-L235 PolarHBondContact O-N 2.72Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.4Å; L235-K238 PolarHBondContact O-N 2.99Å; L235-Y239 VanDerWaalsContact O-CB 3.32Å; L235-Y239 WeakPolarHBondContact O-CB 3.36Å; L235-Y239 PolarHBondContact O-N 2.86Å
236L97.3Very high95.9Very high10 Ų1027.2 Ų27.25%0.05215%0.145CC..Hα-helixtrans-59.8-43.3175.2-73.7164.8000111.1I184 V232 K238 Y239 L240 N289 T292I184-L236 HydrophobicContact CD1-CD2 3.93Å; I184-L236 HydrophobicContact CD1-CG 4.17Å; I184-L236 HydrophobicContact CG1-CD2 4.44Å; I184-L236 HydrophobicContact CG1-CG 4.46Å; I184-L236 HydrophobicContact CG2-CD2 3.74Å; I184-L236 HydrophobicContact CG2-CG 4.27Å; V232-L236 HydrophobicContact CG1-CD1 3.9Å; V232-L236 HydrophobicContact CG1-CG 4.33Å; V232-L236 WeakPolarHBondContact O-CB 3.21Å; V232-L236 VanDerWaalsContact O-CG 3.23Å; V232-L236 WeakPolarHBondContact O-CG 3.35Å; V232-L236 PolarHBondContact O-N 3.2Å; L236-K238 PolarHBondContact O-N 3.45Å; L236-Y239 PolarHBondContact O-N 3.33Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 2.98Å; L236-N289 HydrophobicContact CD1-CB 4.07Å; L236-N289 HydrophobicContact CD2-CB 3.97Å; L236-T292 HydrophobicContact CD2-CG2 4.15Å; L236-T292 WeakPolarHBondContact CD2-OG1 3.26Å
237S95.8Very high95.9Very high64 Ų6427.1 Ų27.145%0.44815%0.145SC..Hα-helixtrans-62.5-42.7176.6-61.30000111.9Q233 D234 L235 N241Q233-S237 PolarHBondContact O-N 2.94Å; Q233-S237 VanDerWaalsContact O-N 3.09Å; Q233-S237 PolarHBondContact O-OG 3.36Å; D234-S237 WeakPolarHBondContact O-CB 3.45Å; D234-S237 PolarHBondContact O-N 2.91Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.4Å; S237-N241 PolarHBondContact O-N 3.05Å; S237-N241 PolarHBondContact O-ND2 3.48Å
238K95.8Very high95.7Very high13 Ų1326.6 Ų26.66%0.05714%0.139CC..Hα-helixtrans-66-46.4175.9-77.5168.3162.177.50111.9Y122 L127 D128 D234 L235 L236 L240 N241 L242Y122-K238 HydrophobicContact CD1-CD 4.38Å; Y122-K238 HydrophobicContact CE1-CD 3.64Å; Y122-K238 HydrophobicContact CE2-CD 4.41Å; L127-K238 HydrophobicContact CD1-CD 4.33Å; L127-K238 HydrophobicContact CD2-CB 3.75Å; L127-K238 HydrophobicContact CD2-CD 3.65Å; L127-K238 HydrophobicContact CD2-CG 3.7Å; L127-K238 HydrophobicContact CG-CD 4.48Å; D128-K238 WeakPolarHBondContact OD1-CE 3.46Å; D128-K238 IonicContact OD1-NZ 3.94Å; D128-K238 PolarHBondContact OD1-NZ 2.95Å; D234-K238 WeakPolarHBondContact O-CG 3.28Å; D234-K238 PolarHBondContact O-N 3.18Å; D234-K238 IonicContact OD1-NZ 3.95Å; D234-K238 PolarHBondContact OD1-NZ 3.42Å; D234-K238 IonicContact OD2-NZ 3.94Å; D234-K238 PolarHBondContact OD2-NZ 3.08Å; L235-K238 PolarHBondContact O-N 2.99Å; L236-K238 PolarHBondContact O-N 3.45Å; K238-L240 PolarHBondContact O-N 3.33Å; K238-N241 PolarHBondContact O-N 2.97Å; K238-L242 WeakPolarHBondContact O-CG 3.23Å; K238-L242 PolarHBondContact O-N 3.42Å; K238-L242 VanDerWaalsContact O-N 3.08Å
239Y97.2Very high95.4Very high0 Ų027.7 Ų27.70%015%0.146CC..Hα-helixtrans-52.2-51.2174.2165.5-99.8000111.5I177 L181 L235 L236 N241 L242 E243 S284 T292I177-Y239 HydrophobicContact CG2-CD2 3.99Å; I177-Y239 HydrophobicContact CG2-CE2 3.64Å; L181-Y239 HydrophobicContact CB-CD2 4.5Å; L181-Y239 HydrophobicContact CB-CE2 4.45Å; L181-Y239 HydrophobicContact CD1-CE2 4.27Å; L235-Y239 VanDerWaalsContact O-CB 3.32Å; L235-Y239 WeakPolarHBondContact O-CB 3.36Å; L235-Y239 PolarHBondContact O-N 2.86Å; L236-Y239 PolarHBondContact O-N 3.33Å; Y239-N241 VanDerWaalsContact C-N 3.3Å; Y239-N241 PolarHBondContact O-N 3.41Å; Y239-L242 PolarHBondContact O-N 3.14Å; Y239-L242 VanDerWaalsContact O-N 3.13Å; Y239-E243 HydrophobicContact CE1-CB 4.4Å; Y239-E243 HydrophobicContact CE2-CB 4.12Å; Y239-E243 HydrophobicContact CE2-CG 4.32Å; Y239-E243 VanDerWaalsContact CE2-OE2 3.27Å; Y239-E243 WeakPolarHBondContact CE2-OE2 3.43Å; Y239-E243 VanDerWaalsContact O-CB 3.31Å; Y239-E243 WeakPolarHBondContact O-CB 3.5Å; Y239-E243 PolarHBondContact O-N 2.99Å; Y239-E243 PolarHBondContact OH-OE2 2.9Å; Y239-S284 WeakPolarHBondContact OH-CA 3.31Å; Y239-S284 PolarHBondContact OH-N 3.5Å; Y239-T292 HydrophobicContact CD1-CG2 3.78Å; Y239-T292 HydrophobicContact CE1-CG2 3.72Å
240L96.3Very high95.3Very high31 Ų3127.1 Ų27.116%0.16214%0.143CC..Hα-helixtrans-57.1-41.7179.7-78.5170.3000112.8L236 K238 Q244 T292 A295 M296L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 2.98Å; K238-L240 PolarHBondContact O-N 3.33Å; L240-Q244 WeakPolarHBondContact O-CB 3.39Å; L240-Q244 PolarHBondContact O-N 3.29Å; L240-T292 HydrophobicContact CD1-CG2 4.48Å; L240-T292 HydrophobicContact CD2-CG2 3.87Å; L240-T292 HydrophobicContact CG-CG2 4.06Å; L240-A295 HydrophobicContact CD1-CB 4Å; L240-A295 HydrophobicContact CD2-CB 3.83Å; L240-M296 HydrophobicContact CD2-CB 4.47Å
241N93.8Very high95.2Very high35 Ų3524.5 Ų24.519%0.18713%0.125CC..Hα-helixtrans-65.5-43.1177.6-74.1-73.5000112K135 S237 K238 Y239 Y245K135-N241 WeakPolarHBondContact CE-OD1 3.35Å; S237-N241 PolarHBondContact O-N 3.05Å; S237-N241 PolarHBondContact O-ND2 3.48Å; K238-N241 PolarHBondContact O-N 2.97Å; Y239-N241 VanDerWaalsContact C-N 3.3Å; Y239-N241 PolarHBondContact O-N 3.41Å; N241-Y245 PolarHBondContact O-N 2.97Å
242L94.7Very high95Very high0 Ų027.4 Ų27.40%014%0.14CC..Hα-helixtrans-67.2-47.9179.1-65.9172.6000111.4L127 L130 L134 I173 I176 I177 K238 Y239 Y245 Y246L127-L242 HydrophobicContact CD2-CD1 4.24Å; L130-L242 HydrophobicContact CD2-CD2 3.66Å; L130-L242 HydrophobicContact CG-CD2 4.04Å; L134-L242 HydrophobicContact CD1-CD2 3.82Å; I173-L242 HydrophobicContact CG2-CB 4.22Å; I173-L242 HydrophobicContact CG2-CD2 4.24Å; I176-L242 HydrophobicContact CG2-CD1 3.86Å; I177-L242 HydrophobicContact CD1-CB 4.12Å; I177-L242 HydrophobicContact CG1-CB 3.66Å; I177-L242 HydrophobicContact CG1-CD1 4.46Å; K238-L242 WeakPolarHBondContact O-CG 3.23Å; K238-L242 PolarHBondContact O-N 3.42Å; K238-L242 VanDerWaalsContact O-N 3.08Å; Y239-L242 PolarHBondContact O-N 3.14Å; Y239-L242 VanDerWaalsContact O-N 3.13Å; L242-Y245 PolarHBondContact O-N 3.4Å; L242-Y246 WeakPolarHBondContact O-CB 3.27Å; L242-Y246 PolarHBondContact O-N 3.32Å
243E95.7Very high94.8Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-64.2-43-179.3-172.673.6-127.300111.4I177 Y239 Y245 Y246 L247 S280 R283 M296I177-E243 WeakPolarHBondContact CG2-OE2 3.24Å; Y239-E243 HydrophobicContact CE1-CB 4.4Å; Y239-E243 HydrophobicContact CE2-CB 4.12Å; Y239-E243 HydrophobicContact CE2-CG 4.32Å; Y239-E243 VanDerWaalsContact CE2-OE2 3.27Å; Y239-E243 WeakPolarHBondContact CE2-OE2 3.43Å; Y239-E243 VanDerWaalsContact O-CB 3.31Å; Y239-E243 WeakPolarHBondContact O-CB 3.5Å; Y239-E243 PolarHBondContact O-N 2.99Å; Y239-E243 PolarHBondContact OH-OE2 2.9Å; E243-Y245 PolarHBondContact O-N 3.35Å; E243-Y246 PolarHBondContact O-N 3.38Å; E243-L247 VanDerWaalsContact O-CB 3.32Å; E243-L247 WeakPolarHBondContact O-CB 3.33Å; E243-L247 PolarHBondContact O-N 2.96Å; E243-S280 VanDerWaalsContact OE1-CA 3.26Å; E243-S280 WeakPolarHBondContact OE1-CA 3.31Å; E243-S280 WeakPolarHBondContact OE1-CB 3.3Å; E243-S280 PolarHBondContact OE1-OG 2.91Å; E243-R283 VanDerWaalsContact CD-NH2 3.35Å; E243-R283 IonicContact OE1-CZ 2.9Å; E243-R283 IonicContact OE1-NE 3.38Å; E243-R283 PolarHBondContact OE1-NE 3.33Å; E243-R283 IonicContact OE1-NH2 2.81Å; E243-R283 PolarHBondContact OE1-NH2 3.45Å; E243-R283 IonicContact OE2-CZ 2.65Å; E243-R283 VanDerWaalsContact OE2-CZ 3.25Å; E243-R283 IonicContact OE2-NE 3.77Å; E243-R283 PolarHBondContact OE2-NE 2.94Å; E243-R283 IonicContact OE2-NH2 3.4Å; E243-R283 PolarHBondContact OE2-NH2 3.31Å; E243-M296 HydrophobicContact CB-SD 4.07Å; E243-M296 HydrophobicContact CG-CE 4.05Å; E243-M296 HydrophobicContact CG-CG 4.41Å; E243-M296 HydrophobicContact CG-SD 3.39Å; E243-M296 WeakPolarHBondContact CG-SD 3.36Å
244Q94.5Very high94.6Very high44 Ų4428 Ų2821%0.20614%0.142CC..Hα-helixtrans-59.6-45.8175.1-177.2-171.560.600111.6N138 L240 R248 H299 I303N138-Q244 PolarHBondContact ND2-OE1 3.1Å; L240-Q244 WeakPolarHBondContact O-CB 3.39Å; L240-Q244 PolarHBondContact O-N 3.29Å; Q244-R248 WeakPolarHBondContact O-CB 3.07Å; Q244-R248 PolarHBondContact O-N 3.31Å; Q244-H299 HydrophobicContact CG-CB 4.32Å; Q244-H299 PolarHBondContact NE2-CE1 3.39Å; Q244-H299 VanDerWaalsContact NE2-CE1 3.26Å; Q244-H299 PolarHBondContact NE2-ND1 3.19Å; Q244-H299 VanDerWaalsContact NE2-ND1 3.19Å; Q244-I303 HydrophobicContact CG-CD1 4.28Å
245Y93.1Very high94.5Very high17 Ų1725.9 Ų25.97%0.06713%0.131CC..Hα-helixtrans-65.2-46.6177.9175.8-95.6000111.8L134 I173 N241 L242 E243 L247 R248 V249L134-Y245 HydrophobicContact CB-CD2 4.49Å; L134-Y245 HydrophobicContact CD1-CD1 4.15Å; L134-Y245 HydrophobicContact CD1-CG 3.96Å; L134-Y245 HydrophobicContact CD2-CD1 3.77Å; L134-Y245 HydrophobicContact CD2-CD2 3.59Å; L134-Y245 HydrophobicContact CD2-CE1 3.84Å; L134-Y245 HydrophobicContact CD2-CE2 3.62Å; L134-Y245 HydrophobicContact CD2-CG 3.63Å; L134-Y245 HydrophobicContact CG-CD2 4.4Å; L134-Y245 HydrophobicContact CG-CG 4.23Å; I173-Y245 HydrophobicContact CD1-CD1 3.49Å; I173-Y245 VanDerWaalsContact CD1-CD1 3.49Å; I173-Y245 HydrophobicContact CD1-CE1 3.49Å; I173-Y245 VanDerWaalsContact CD1-CE1 3.49Å; N241-Y245 PolarHBondContact O-N 2.97Å; L242-Y245 PolarHBondContact O-N 3.4Å; E243-Y245 PolarHBondContact O-N 3.35Å; Y245-L247 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 2.82Å; Y245-R248 PolarHBondContact O-N 2.77Å; Y245-V249 HydrophobicContact CD1-CG2 4.33Å; Y245-V249 HydrophobicContact CD2-CG2 4.08Å; Y245-V249 HydrophobicContact CE1-CG2 3.9Å; Y245-V249 HydrophobicContact CE2-CG2 3.64Å; Y245-V249 HydrophobicContact CG-CG2 4.43Å; Y245-V249 WeakPolarHBondContact O-CG2 3.18Å; Y245-V249 PolarHBondContact O-N 3.04Å
246Y94.7Very high94.1Very high9 Ų930 Ų304%0.03516%0.16CC..Hα-helixtrans-52.8-53.1175.4172.3-92.1000110.7V170 E174 I177 L242 E243 R248 V249 T250 K279V170-Y246 HydrophobicContact CG1-CD2 3.79Å; V170-Y246 HydrophobicContact CG1-CE2 3.72Å; E174-Y246 HydrophobicContact CB-CD2 4.28Å; E174-Y246 HydrophobicContact CB-CE2 3.84Å; E174-Y246 HydrophobicContact CG-CE2 4.05Å; E174-Y246 WeakPolarHBondContact OE2-CE2 3.31Å; E174-Y246 PolarHBondContact OE2-OH 3.43Å; I177-Y246 HydrophobicContact CD1-CD2 4.36Å; I177-Y246 HydrophobicContact CD1-CG 4.01Å; L242-Y246 WeakPolarHBondContact O-CB 3.27Å; L242-Y246 PolarHBondContact O-N 3.32Å; E243-Y246 PolarHBondContact O-N 3.38Å; Y246-R248 PolarHBondContact O-N 3.04Å; Y246-V249 PolarHBondContact O-N 2.88Å; Y246-T250 HydrophobicContact CD1-CG2 4.47Å; Y246-T250 HydrophobicContact CD2-CG2 4.11Å; Y246-T250 HydrophobicContact CE1-CG2 4.22Å; Y246-T250 HydrophobicContact CE2-CG2 3.83Å; Y246-T250 HydrophobicContact CG-CG2 4.43Å; Y246-T250 WeakPolarHBondContact O-CB 3.4Å; Y246-T250 VanDerWaalsContact O-CG2 3.31Å; Y246-T250 WeakPolarHBondContact O-CG2 3.26Å; Y246-T250 PolarHBondContact O-N 3.21Å; Y246-T250 PolarHBondContact O-OG1 2.79Å; Y246-K279 PolarHBondContact OH-NZ 3.24Å; Y246-K279 VanDerWaalsContact OH-NZ 3.16Å
247L95.3Very high93.4Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-59.3-46.3-179.1-179.660.5000111.3E243 Y245 T250 I251 I276 M296 S300 I303E243-L247 VanDerWaalsContact O-CB 3.32Å; E243-L247 WeakPolarHBondContact O-CB 3.33Å; E243-L247 PolarHBondContact O-N 2.96Å; Y245-L247 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 2.82Å; L247-T250 PolarHBondContact O-OG1 3.13Å; L247-T250 VanDerWaalsContact O-OG1 3.14Å; L247-I251 HydrophobicContact CD1-CD1 3.48Å; L247-I251 VanDerWaalsContact CD1-CD1 3.48Å; L247-I251 HydrophobicContact CD1-CG1 4.02Å; L247-I251 HydrophobicContact CG-CD1 3.87Å; L247-I251 VanDerWaalsContact O-CB 3.32Å; L247-I251 WeakPolarHBondContact O-CB 3.32Å; L247-I251 VanDerWaalsContact O-CG1 3.29Å; L247-I251 WeakPolarHBondContact O-CG1 3.45Å; L247-I251 PolarHBondContact O-N 2.67Å; L247-I276 HydrophobicContact CD1-CG2 3.71Å; L247-M296 HydrophobicContact CB-CE 4.29Å; L247-M296 HydrophobicContact CD2-CE 3.32Å; L247-M296 HydrophobicContact CG-CE 4.41Å; L247-S300 WeakPolarHBondContact CD2-OG 3.46Å; L247-I303 HydrophobicContact CB-CD1 4.27Å; L247-I303 HydrophobicContact CD2-CD1 3.95Å; L247-I303 HydrophobicContact CG-CD1 4.04Å
248R93.7Very high92.5Very high56 Ų5634.1 Ų34.121%0.21118%0.179CC..Hα-helixtrans-59.5-52.8179.6-174.8-176.6175.886.32.2111.7Q244 Y245 Y246 I251 M252 I303 L307Q244-R248 WeakPolarHBondContact O-CB 3.07Å; Q244-R248 PolarHBondContact O-N 3.31Å; Y245-R248 PolarHBondContact O-N 2.77Å; Y246-R248 PolarHBondContact O-N 3.04Å; R248-I251 PolarHBondContact O-N 3.34Å; R248-M252 HydrophobicContact CG-SD 4.48Å; R248-M252 WeakPolarHBondContact O-CG 3.2Å; R248-M252 PolarHBondContact O-N 3.15Å; R248-I303 HydrophobicContact CB-CD1 4.08Å; R248-L307 HydrophobicContact CG-CD1 4.08Å
249V91.7Very high92.1Very high24 Ų2439.6 Ų39.615%0.14521%0.205CC..Hα-helixtrans-69.1-40.2-174.81770000111.6V170 Y245 Y246 M252 K253V170-V249 HydrophobicContact CG2-CB 3.79Å; V170-V249 HydrophobicContact CG2-CG1 3.52Å; Y245-V249 HydrophobicContact CD1-CG2 4.33Å; Y245-V249 HydrophobicContact CD2-CG2 4.08Å; Y245-V249 HydrophobicContact CE1-CG2 3.9Å; Y245-V249 HydrophobicContact CE2-CG2 3.64Å; Y245-V249 HydrophobicContact CG-CG2 4.43Å; Y245-V249 WeakPolarHBondContact O-CG2 3.18Å; Y245-V249 PolarHBondContact O-N 3.04Å; Y246-V249 PolarHBondContact O-N 2.88Å; V249-M252 PolarHBondContact O-N 2.83Å; V249-K253 WeakPolarHBondContact O-CB 3.18Å; V249-K253 PolarHBondContact O-N 3.46Å
250T93.5Very high91.8Very high18 Ų1840.9 Ų40.911%0.1121%0.213CC..Hα-helixtrans-66.7-39.317850.70000111.9V170 Y246 L247 K253 A254 I276V170-T250 HydrophobicContact CG1-CG2 3.63Å; V170-T250 HydrophobicContact CG2-CG2 4.4Å; Y246-T250 HydrophobicContact CD1-CG2 4.47Å; Y246-T250 HydrophobicContact CD2-CG2 4.11Å; Y246-T250 HydrophobicContact CE1-CG2 4.22Å; Y246-T250 HydrophobicContact CE2-CG2 3.83Å; Y246-T250 HydrophobicContact CG-CG2 4.43Å; Y246-T250 WeakPolarHBondContact O-CB 3.4Å; Y246-T250 VanDerWaalsContact O-CG2 3.31Å; Y246-T250 WeakPolarHBondContact O-CG2 3.26Å; Y246-T250 PolarHBondContact O-N 3.21Å; Y246-T250 PolarHBondContact O-OG1 2.79Å; L247-T250 PolarHBondContact O-OG1 3.13Å; L247-T250 VanDerWaalsContact O-OG1 3.14Å; T250-K253 PolarHBondContact O-N 2.96Å; T250-A254 PolarHBondContact O-N 3.2Å; T250-I276 WeakPolarHBondContact OG1-CG2 3.5Å
251I94.5Very high91.4Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-64.5-45171.3-72.9176.6000111.1L247 R248 K253 A254 L255 V273 I276 I303 L304 L307L247-I251 HydrophobicContact CD1-CD1 3.48Å; L247-I251 VanDerWaalsContact CD1-CD1 3.48Å; L247-I251 HydrophobicContact CD1-CG1 4.02Å; L247-I251 HydrophobicContact CG-CD1 3.87Å; L247-I251 VanDerWaalsContact O-CB 3.32Å; L247-I251 WeakPolarHBondContact O-CB 3.32Å; L247-I251 VanDerWaalsContact O-CG1 3.29Å; L247-I251 WeakPolarHBondContact O-CG1 3.45Å; L247-I251 PolarHBondContact O-N 2.67Å; R248-I251 PolarHBondContact O-N 3.34Å; I251-K253 PolarHBondContact O-N 3.41Å; I251-A254 PolarHBondContact O-N 3.48Å; I251-L255 HydrophobicContact CG2-CD1 3.71Å; I251-L255 HydrophobicContact CG2-CG 4.17Å; I251-L255 WeakPolarHBondContact O-CB 3.37Å; I251-L255 VanDerWaalsContact O-CG 3.26Å; I251-L255 WeakPolarHBondContact O-CG 3.38Å; I251-L255 PolarHBondContact O-N 3.5Å; I251-V273 HydrophobicContact CD1-CG1 4.29Å; I251-V273 HydrophobicContact CG1-CG1 4.3Å; I251-V273 HydrophobicContact CG2-CG1 4.41Å; I251-V273 HydrophobicContact CG2-CG2 4.27Å; I251-I276 HydrophobicContact CG1-CG2 4.31Å; I251-I303 HydrophobicContact CB-CG2 4.46Å; I251-I303 HydrophobicContact CD1-CG2 3.75Å; I251-I303 HydrophobicContact CG2-CG2 4.43Å; I251-L304 HydrophobicContact CD1-CD2 4.13Å; I251-L307 HydrophobicContact CB-CD1 4.39Å; I251-L307 HydrophobicContact CG2-CB 4.3Å; I251-L307 HydrophobicContact CG2-CD1 3.91Å
252M92.5Very high91Very high72 Ų7249.2 Ų49.236%0.35525%0.249SC..Hα-helixtrans-56.1-42175.7-75.9-174.767.200111.7R248 V249 L255 S256 L307R248-M252 HydrophobicContact CG-SD 4.48Å; R248-M252 WeakPolarHBondContact O-CG 3.2Å; R248-M252 PolarHBondContact O-N 3.15Å; V249-M252 PolarHBondContact O-N 2.83Å; M252-L255 PolarHBondContact O-N 3.35Å; M252-S256 PolarHBondContact O-N 3.24Å; M252-S256 VanDerWaalsContact O-N 3.16Å; M252-S256 PolarHBondContact O-OG 3.47Å; M252-L307 HydrophobicContact CG-CD1 3.51Å; M252-L307 HydrophobicContact CG-CD2 4.11Å; M252-L307 HydrophobicContact CG-CG 4.44Å; M252-L307 HydrophobicContact SD-CD2 4.47Å
253K91.3Very high90.7Very high124 Ų12454 Ų5454%0.53928%0.283SS..Hα-helixtrans-65.3-45.6177.2-172.8174.2-177.9173.90112S167 V249 T250 I251 L255 S256S167-K253 PolarHBondContact OG-NZ 3.33Å; V249-K253 WeakPolarHBondContact O-CB 3.18Å; V249-K253 PolarHBondContact O-N 3.46Å; T250-K253 PolarHBondContact O-N 2.96Å; I251-K253 PolarHBondContact O-N 3.41Å; K253-L255 VanDerWaalsContact C-N 3.32Å; K253-L255 PolarHBondContact O-N 3.29Å; K253-S256 VanDerWaalsContact O-CB 3.29Å; K253-S256 WeakPolarHBondContact O-CB 3.48Å; K253-S256 PolarHBondContact O-N 3.41Å
254A93.1Very high90.3Very high11 Ų1156.6 Ų56.69%0.09130%0.301CS..Hα-helixtrans-58.7-44.6175.200000111.5T250 I251 S256 S257 F269 D272 V273 I276T250-A254 PolarHBondContact O-N 3.2Å; I251-A254 PolarHBondContact O-N 3.48Å; A254-S256 PolarHBondContact O-N 3.38Å; A254-S256 VanDerWaalsContact O-N 3.14Å; A254-S257 VanDerWaalsContact O-CB 3.24Å; A254-S257 WeakPolarHBondContact O-CB 3.2Å; A254-S257 PolarHBondContact O-N 3.47Å; A254-F269 WeakPolarHBondContact O-CB 3.25Å; A254-D272 HydrophobicContact CB-CB 4.01Å; A254-V273 HydrophobicContact CB-CG2 3.93Å; A254-I276 HydrophobicContact CB-CD1 4.15Å
255L92.9Very high90.1Very high14 Ų1456.2 Ų56.27%0.07330%0.3CS..THydrogen-bonded Turntrans-65.3-14.3176.3-68.7171.1000114I251 M252 K253 F269 V273 L307 M308 F312I251-L255 HydrophobicContact CG2-CD1 3.71Å; I251-L255 HydrophobicContact CG2-CG 4.17Å; I251-L255 WeakPolarHBondContact O-CB 3.37Å; I251-L255 VanDerWaalsContact O-CG 3.26Å; I251-L255 WeakPolarHBondContact O-CG 3.38Å; I251-L255 PolarHBondContact O-N 3.5Å; M252-L255 PolarHBondContact O-N 3.35Å; K253-L255 VanDerWaalsContact C-N 3.32Å; K253-L255 PolarHBondContact O-N 3.29Å; L255-F269 HydrophobicContact CD2-CD1 4.45Å; L255-F269 HydrophobicContact CD2-CD2 3.5Å; L255-F269 VanDerWaalsContact CD2-CD2 3.5Å; L255-F269 HydrophobicContact CD2-CE1 4.37Å; L255-F269 HydrophobicContact CD2-CE2 3.38Å; L255-F269 HydrophobicContact CD2-CG 4.06Å; L255-F269 HydrophobicContact CD2-CZ 3.86Å; L255-V273 HydrophobicContact CD2-CG2 4.3Å; L255-V273 HydrophobicContact CG-CG2 4.37Å; L255-L307 HydrophobicContact CD1-CB 3.69Å; L255-M308 HydrophobicContact CD1-CB 4.43Å; L255-M308 HydrophobicContact CD2-CB 4.23Å; L255-M308 HydrophobicContact CD2-CG 4.32Å; L255-F312 HydrophobicContact CB-CD2 4.29Å; L255-F312 HydrophobicContact CD2-CB 4.12Å; L255-F312 HydrophobicContact CD2-CD1 4.44Å; L255-F312 HydrophobicContact CD2-CD2 4.43Å; L255-F312 HydrophobicContact CD2-CG 4.08Å; L255-F312 WeakPolarHBondContact O-CE2 3.39Å
256S89Confident90.1Very high88 Ų8856.3 Ų56.362%0.61530%0.302SS*.THydrogen-bonded Turntrans-79.3-12175.4-55.60000111.9M252 K253 A254 D258M252-S256 PolarHBondContact O-N 3.24Å; M252-S256 VanDerWaalsContact O-N 3.16Å; M252-S256 PolarHBondContact O-OG 3.47Å; K253-S256 VanDerWaalsContact O-CB 3.29Å; K253-S256 WeakPolarHBondContact O-CB 3.48Å; K253-S256 PolarHBondContact O-N 3.41Å; A254-S256 PolarHBondContact O-N 3.38Å; A254-S256 VanDerWaalsContact O-N 3.14Å; S256-D258 PolarHBondContact O-N 3.3Å
257S82.1Confident90Very high35 Ų3556.1 Ų56.125%0.24530%0.302CS..  trans-71.5114.1167.3-175.90000109.7A254 E259A254-S257 VanDerWaalsContact O-CB 3.24Å; A254-S257 WeakPolarHBondContact O-CB 3.2Å; A254-S257 PolarHBondContact O-N 3.47Å; S257-E259 VanDerWaalsContact C-N 3.33Å
258D77.1Confident89.9Confident125 Ų12558.2 Ų58.267%0.66832%0.315SS*.  trans-97.92217766.9-20.8000112.6S256 W267S256-D258 PolarHBondContact O-N 3.3Å; D258-W267 WeakPolarHBondContact O-CZ3 3.3Å
259E88.4Confident89.9Confident129 Ų12955.5 Ų55.560%0.60331%0.305SS*.  trans-82.7138.6179-62.3-170173.800112.1S257 C268S257-E259 VanDerWaalsContact C-N 3.33Å; E259-C268 HydrophobicContact CB-CB 4.14Å; E259-C268 PolarHBondContact O-N 3.11Å; E259-C268 PolarHBondContact O-SG 3.39Å
260V89.1Confident90.1Very high26 Ų2654.5 Ų54.516%0.15830%0.299CS..EExtended strand (participates in β ladder)trans-107.7127172.7-178.90000108.7K262 W267 V373V260-K262 PolarHBondContact O-N 3.43Å; V260-K262 VanDerWaalsContact O-N 3.15Å; V260-W267 HydrophobicContact CG2-CD2 4.22Å; V260-W267 HydrophobicContact CG2-CE3 3.6Å; V260-W267 HydrophobicContact CG2-CH2 3.91Å; V260-W267 HydrophobicContact CG2-CZ2 4.49Å; V260-W267 HydrophobicContact CG2-CZ3 3.43Å; V260-W267 VanDerWaalsContact CG2-CZ3 3.43Å; V260-V373 HydrophobicContact CB-CG1 4.45Å; V260-V373 HydrophobicContact CG1-CB 4.47Å; V260-V373 HydrophobicContact CG1-CG1 3.68Å; V260-V373 HydrophobicContact CG1-CG2 3.87Å; V260-V373 HydrophobicContact CG2-CG1 3.92Å; V260-V373 HydrophobicContact CG2-CG2 4.44Å
261D89.8Confident90Very high59 Ų5958.8 Ų58.832%0.31632%0.321SS..EExtended strand (participates in β ladder)trans-68.8111.5169.5172.314.4000108.7S263 S264 N265 V266 C268D261-S263 VanDerWaalsContact CG-OG 3.24Å; D261-S263 PolarHBondContact O-N 3.35Å; D261-S263 WeakPolarHBondContact OD1-CB 3.38Å; D261-S263 PolarHBondContact OD1-N 3.49Å; D261-S263 PolarHBondContact OD1-OG 3.17Å; D261-S263 PolarHBondContact OD2-OG 3.34Å; D261-S264 VanDerWaalsContact CG-OG 3.26Å; D261-S264 WeakPolarHBondContact OD2-CB 3.28Å; D261-S264 PolarHBondContact OD2-OG 3.08Å; D261-N265 WeakPolarHBondContact O-CA 3.43Å; D261-N265 PolarHBondContact O-N 3.38Å; D261-V266 PolarHBondContact N-O 3.28Å; D261-C268 PolarHBondContact N-SG 3.5Å
262K84.3Confident90Very high182 Ų18262.8 Ų62.879%0.79134%0.343SS*.THydrogen-bonded Turntrans-66.8-20.6-177.1-63.8178.3-177.8172.60113.1V260V260-K262 PolarHBondContact O-N 3.43Å; V260-K262 VanDerWaalsContact O-N 3.15Å
263S87.7Confident90.2Very high102 Ų10259.3 Ų59.371%0.71333%0.326SS*.THydrogen-bonded Turntrans-79.2-44-178.572.80000111.6D261D261-S263 VanDerWaalsContact CG-OG 3.24Å; D261-S263 PolarHBondContact O-N 3.35Å; D261-S263 WeakPolarHBondContact OD1-CB 3.38Å; D261-S263 PolarHBondContact OD1-N 3.49Å; D261-S263 PolarHBondContact OD1-OG 3.17Å; D261-S263 PolarHBondContact OD2-OG 3.34Å
264S88Confident90.5Very high53 Ų5354.4 Ų54.437%0.37130%0.304SS..THydrogen-bonded Turntrans-97.1-14.2-179.362.20000113.8D261 V266D261-S264 VanDerWaalsContact CG-OG 3.26Å; D261-S264 WeakPolarHBondContact OD2-CB 3.28Å; D261-S264 PolarHBondContact OD2-OG 3.08Å; S264-V266 VanDerWaalsContact C-N 3.29Å; S264-V266 PolarHBondContact O-N 3.21Å
265N90.3Very high90.6Very high37 Ų3760.3 Ų60.320%0.19833%0.328CS..THydrogen-bonded Turntrans52.746-169.6-61-64.7000112.1D261 V373 N376D261-N265 WeakPolarHBondContact O-CA 3.43Å; D261-N265 PolarHBondContact O-N 3.38Å; N265-V373 WeakPolarHBondContact O-CA 3.22Å; N265-N376 WeakPolarHBondContact O-CB 3.46Å; N265-N376 PolarHBondContact O-ND2 3.44Å
266V92.9Very high90.7Very high18 Ų1860.9 Ų60.911%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-124.6152178.5170.70000109D261 S264 I270 N376 S377 A380D261-V266 PolarHBondContact N-O 3.28Å; S264-V266 VanDerWaalsContact C-N 3.29Å; S264-V266 PolarHBondContact O-N 3.21Å; V266-I270 HydrophobicContact CG1-CB 4.32Å; V266-I270 HydrophobicContact CG1-CG1 3.88Å; V266-N376 HydrophobicContact CG2-CB 3.94Å; V266-S377 WeakPolarHBondContact CA-OG 3.21Å; V266-A380 HydrophobicContact CG1-CB 4Å; V266-A380 HydrophobicContact CG2-CB 4.17Å
267W94.1Very high91.2Very high6 Ų656.7 Ų56.72%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-65.1132.7173.7-66111.3000111.8D258 V260 F269 I270 F312 I316 H370 V373 T374 S377D258-W267 WeakPolarHBondContact O-CZ3 3.3Å; V260-W267 HydrophobicContact CG2-CD2 4.22Å; V260-W267 HydrophobicContact CG2-CE3 3.6Å; V260-W267 HydrophobicContact CG2-CH2 3.91Å; V260-W267 HydrophobicContact CG2-CZ2 4.49Å; V260-W267 HydrophobicContact CG2-CZ3 3.43Å; V260-W267 VanDerWaalsContact CG2-CZ3 3.43Å; W267-F269 VanDerWaalsContact C-N 3.26Å; W267-F269 HydrophobicContact CB-CD1 3.55Å; W267-F269 HydrophobicContact CB-CE1 3.18Å; W267-F269 HydrophobicContact CB-CG 4.4Å; W267-F269 HydrophobicContact CB-CZ 3.82Å; W267-F269 AromaticContact CD1-CE1 3.94Å; W267-F269 HydrophobicContact CD2-CE1 4.05Å; W267-F269 HydrophobicContact CG-CD1 4.2Å; W267-F269 AromaticContact CG-CE1 3.45Å; W267-F269 HydrophobicContact CG-CE1 3.45Å; W267-F269 VanDerWaalsContact CG-CE1 3.45Å; W267-F269 HydrophobicContact CG-CZ 4.07Å; W267-F269 PolarHBondContact O-N 3.36Å; W267-I270 HydrophobicContact CB-CG1 4.15Å; W267-I270 WeakPolarHBondContact O-CG1 3.41Å; W267-I270 PolarHBondContact O-N 3.5Å; W267-F312 HydrophobicContact CD2-CE1 4.38Å; W267-I316 HydrophobicContact CH2-CD1 4.33Å; W267-I316 HydrophobicContact CZ2-CD1 3.64Å; W267-I316 HydrophobicContact CZ2-CG2 4.47Å; W267-H370 HydrophobicContact CH2-CB 4.29Å; W267-H370 AromaticContact CH2-CD2 3.7Å; W267-H370 AromaticContact CH2-CE1 3.85Å; W267-H370 AromaticContact CH2-CG 3.71Å; W267-H370 AromaticContact CH2-ND1 3.79Å; W267-H370 AromaticContact CH2-NE2 3.84Å; W267-H370 HydrophobicContact CZ2-CB 3.93Å; W267-H370 AromaticContact CZ2-CG 3.87Å; W267-V373 HydrophobicContact CD2-CG1 3.99Å; W267-V373 HydrophobicContact CG-CG1 4.07Å; W267-V373 HydrophobicContact CZ2-CG1 4.28Å; W267-T374 PolarHBondContact NE1-OG1 2.93Å; W267-S377 PolarHBondContact N-OG 3.28Å
268C92.6Very high91.9Very high43 Ų4358.7 Ų58.729%0.29131%0.306SS..THydrogen-bonded Turntrans-62.5-30.2-177-680000113.3E259 D261 I270E259-C268 HydrophobicContact CB-CB 4.14Å; E259-C268 PolarHBondContact O-N 3.11Å; E259-C268 PolarHBondContact O-SG 3.39Å; D261-C268 PolarHBondContact N-SG 3.5Å; C268-I270 PolarHBondContact O-N 3.01Å; C268-I270 VanDerWaalsContact O-N 3.12Å
269F94.2Very high92.8Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-66-15.3-177.770.1-103.5000114.2A254 L255 W267 D271 D272 V273 M308 F312 L313A254-F269 WeakPolarHBondContact O-CB 3.25Å; L255-F269 HydrophobicContact CD2-CD1 4.45Å; L255-F269 HydrophobicContact CD2-CD2 3.5Å; L255-F269 VanDerWaalsContact CD2-CD2 3.5Å; L255-F269 HydrophobicContact CD2-CE1 4.37Å; L255-F269 HydrophobicContact CD2-CE2 3.38Å; L255-F269 HydrophobicContact CD2-CG 4.06Å; L255-F269 HydrophobicContact CD2-CZ 3.86Å; W267-F269 VanDerWaalsContact C-N 3.26Å; W267-F269 HydrophobicContact CB-CD1 3.55Å; W267-F269 HydrophobicContact CB-CE1 3.18Å; W267-F269 HydrophobicContact CB-CG 4.4Å; W267-F269 HydrophobicContact CB-CZ 3.82Å; W267-F269 AromaticContact CD1-CE1 3.94Å; W267-F269 HydrophobicContact CD2-CE1 4.05Å; W267-F269 HydrophobicContact CG-CD1 4.2Å; W267-F269 AromaticContact CG-CE1 3.45Å; W267-F269 HydrophobicContact CG-CE1 3.45Å; W267-F269 VanDerWaalsContact CG-CE1 3.45Å; W267-F269 HydrophobicContact CG-CZ 4.07Å; W267-F269 PolarHBondContact O-N 3.36Å; F269-D271 VanDerWaalsContact C-N 3.33Å; F269-D271 PolarHBondContact O-N 2.93Å; F269-D272 PolarHBondContact O-N 3.48Å; F269-V273 HydrophobicContact CD2-CG2 3.87Å; F269-V273 WeakPolarHBondContact O-CG2 3.4Å; F269-V273 PolarHBondContact O-N 2.93Å; F269-M308 HydrophobicContact CE2-CE 4.35Å; F269-M308 HydrophobicContact CE2-CG 4.23Å; F269-F312 HydrophobicContact CD1-CE1 4.18Å; F269-F312 HydrophobicContact CD1-CZ 4.27Å; F269-F312 AromaticContact CE1-CD1 3.71Å; F269-F312 HydrophobicContact CE1-CD1 3.71Å; F269-F312 AromaticContact CE1-CE1 3.15Å; F269-F312 HydrophobicContact CE1-CE1 3.15Å; F269-F312 AromaticContact CE1-CZ 3.64Å; F269-F312 HydrophobicContact CE1-CZ 3.64Å; F269-F312 AromaticContact CZ-CD1 3.59Å; F269-F312 HydrophobicContact CZ-CD1 3.59Å; F269-F312 AromaticContact CZ-CE1 3.54Å; F269-F312 HydrophobicContact CZ-CE1 3.54Å; F269-F312 HydrophobicContact CZ-CG 4.49Å; F269-F312 HydrophobicContact CZ-CZ 4.38Å; F269-L313 HydrophobicContact CZ-CD2 4.01Å
270I94.1Very high93.2Very high2 Ų249.8 Ų49.81%0.0126%0.259CS..Hα-helixtrans-58.3-48-173.4-64.4-69.3000110.1V266 W267 C268 V273 F274 M308 A380 S381V266-I270 HydrophobicContact CG1-CB 4.32Å; V266-I270 HydrophobicContact CG1-CG1 3.88Å; W267-I270 HydrophobicContact CB-CG1 4.15Å; W267-I270 WeakPolarHBondContact O-CG1 3.41Å; W267-I270 PolarHBondContact O-N 3.5Å; C268-I270 PolarHBondContact O-N 3.01Å; C268-I270 VanDerWaalsContact O-N 3.12Å; I270-V273 PolarHBondContact O-N 3.49Å; I270-F274 HydrophobicContact CG2-CD2 4.07Å; I270-F274 HydrophobicContact CG2-CE2 4.22Å; I270-F274 VanDerWaalsContact O-CD2 3.27Å; I270-F274 WeakPolarHBondContact O-CD2 3.32Å; I270-F274 PolarHBondContact O-N 3.11Å; I270-F274 VanDerWaalsContact O-N 3.15Å; I270-M308 HydrophobicContact CD1-CE 3.36Å; I270-A380 HydrophobicContact CG2-CB 4.46Å; I270-S381 WeakPolarHBondContact CD1-OG 3.4Å
271D92.6Very high93.6Very high108 Ų10848.9 Ų48.958%0.57825%0.254SS*.Hα-helixtrans-67.4-39.4-179.5-69.3-22.9000111.8F269 F274 F275 N384F269-D271 VanDerWaalsContact C-N 3.33Å; F269-D271 PolarHBondContact O-N 2.93Å; D271-F274 PolarHBondContact O-N 3.28Å; D271-F275 WeakPolarHBondContact O-CB 3.47Å; D271-F275 PolarHBondContact O-N 3.16Å; D271-N384 PolarHBondContact OD1-ND2 2.96Å
272D94.6Very high93.9Very high84 Ų8448.8 Ų48.845%0.44925%0.252SS..Hα-helixtrans-61.1-46.9175.8-70.5-27.2000111.8A254 F269 F274 F275 I276A254-D272 HydrophobicContact CB-CB 4.01Å; F269-D272 PolarHBondContact O-N 3.48Å; D272-F274 PolarHBondContact O-N 2.71Å; D272-F275 PolarHBondContact O-N 3.1Å; D272-I276 WeakPolarHBondContact O-CB 3.49Å; D272-I276 WeakPolarHBondContact O-CD1 3.47Å; D272-I276 WeakPolarHBondContact O-CG1 3.42Å; D272-I276 PolarHBondContact O-N 3.28Å
273V96.6Very high94.4Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-61.8-44.8-179.6168.70000111.2I251 A254 L255 F269 I270 T277 L304 M308I251-V273 HydrophobicContact CD1-CG1 4.29Å; I251-V273 HydrophobicContact CG1-CG1 4.3Å; I251-V273 HydrophobicContact CG2-CG1 4.41Å; I251-V273 HydrophobicContact CG2-CG2 4.27Å; A254-V273 HydrophobicContact CB-CG2 3.93Å; L255-V273 HydrophobicContact CD2-CG2 4.3Å; L255-V273 HydrophobicContact CG-CG2 4.37Å; F269-V273 HydrophobicContact CD2-CG2 3.87Å; F269-V273 WeakPolarHBondContact O-CG2 3.4Å; F269-V273 PolarHBondContact O-N 2.93Å; I270-V273 PolarHBondContact O-N 3.49Å; V273-T277 WeakPolarHBondContact O-CB 3.5Å; V273-T277 PolarHBondContact O-N 3.05Å; V273-T277 PolarHBondContact O-OG1 3.01Å; V273-L304 HydrophobicContact CG1-CD2 3.4Å; V273-L304 VanDerWaalsContact CG1-CD2 3.4Å; V273-M308 HydrophobicContact CG1-SD 3.83Å
274F96.3Very high94.7Very high20 Ų2036.3 Ų36.39%0.08819%0.185CC..Hα-helixtrans-72.3-33.4178.1-80.2-75.7000112.5I270 D271 D272 K278 M308 S381 N384 L385 L388I270-F274 HydrophobicContact CG2-CD2 4.07Å; I270-F274 HydrophobicContact CG2-CE2 4.22Å; I270-F274 VanDerWaalsContact O-CD2 3.27Å; I270-F274 WeakPolarHBondContact O-CD2 3.32Å; I270-F274 PolarHBondContact O-N 3.11Å; I270-F274 VanDerWaalsContact O-N 3.15Å; D271-F274 PolarHBondContact O-N 3.28Å; D272-F274 PolarHBondContact O-N 2.71Å; F274-K278 WeakPolarHBondContact O-CB 3.42Å; F274-K278 PolarHBondContact O-N 2.89Å; F274-M308 HydrophobicContact CE2-CE 4.12Å; F274-S381 VanDerWaalsContact CZ-O 3.26Å; F274-S381 WeakPolarHBondContact CZ-O 3.25Å; F274-N384 HydrophobicContact CB-CB 4.17Å; F274-N384 HydrophobicContact CD1-CB 3.98Å; F274-N384 HydrophobicContact CD2-CB 3.48Å; F274-N384 VanDerWaalsContact CD2-CB 3.48Å; F274-N384 HydrophobicContact CE1-CB 4.25Å; F274-N384 HydrophobicContact CE2-CB 3.8Å; F274-N384 HydrophobicContact CG-CB 3.6Å; F274-N384 HydrophobicContact CZ-CB 4.17Å; F274-L385 HydrophobicContact CE1-CB 3.81Å; F274-L385 HydrophobicContact CE1-CD1 4.18Å; F274-L385 HydrophobicContact CZ-CB 4.11Å; F274-L388 HydrophobicContact CD1-CD2 4.28Å
275F95.7Very high95Very high136 Ų13634.3 Ų34.360%0.59617%0.17SC*.Hα-helixtrans-63.5-48.6173.3178-97.2000111.9D271 D272 T277 K278 K279D271-F275 WeakPolarHBondContact O-CB 3.47Å; D271-F275 PolarHBondContact O-N 3.16Å; D272-F275 PolarHBondContact O-N 3.1Å; F275-T277 PolarHBondContact O-N 3.3Å; F275-K278 PolarHBondContact O-N 3.5Å; F275-K279 WeakPolarHBondContact O-CB 3.47Å; F275-K279 PolarHBondContact O-N 3.49Å
276I96.3Very high95.1Very high25 Ų2535.5 Ų35.513%0.12818%0.182CC..Hα-helixtrans-61-46.5177.1-66.8161000110.2L247 T250 I251 A254 D272 K278 K279 S280L247-I276 HydrophobicContact CD1-CG2 3.71Å; T250-I276 WeakPolarHBondContact OG1-CG2 3.5Å; I251-I276 HydrophobicContact CG1-CG2 4.31Å; A254-I276 HydrophobicContact CB-CD1 4.15Å; D272-I276 WeakPolarHBondContact O-CB 3.49Å; D272-I276 WeakPolarHBondContact O-CD1 3.47Å; D272-I276 WeakPolarHBondContact O-CG1 3.42Å; D272-I276 PolarHBondContact O-N 3.28Å; I276-K278 PolarHBondContact O-N 2.83Å; I276-K279 WeakPolarHBondContact O-CB 3.46Å; I276-K279 PolarHBondContact O-N 2.99Å; I276-S280 PolarHBondContact O-N 3.22Å
277T97.8Very high95.1Very high1 Ų134.7 Ų34.71%0.00618%0.177CC..Hα-helixtrans-60.5-46.5178.6-57.60000111.3V273 F275 K279 S280 L281 L304 L388V273-T277 WeakPolarHBondContact O-CB 3.5Å; V273-T277 PolarHBondContact O-N 3.05Å; V273-T277 PolarHBondContact O-OG1 3.01Å; F275-T277 PolarHBondContact O-N 3.3Å; T277-K279 VanDerWaalsContact C-N 3.34Å; T277-K279 PolarHBondContact O-N 3.44Å; T277-S280 PolarHBondContact O-N 3.34Å; T277-L281 HydrophobicContact CG2-CD1 3.85Å; T277-L281 HydrophobicContact CG2-CG 4.47Å; T277-L281 WeakPolarHBondContact O-CG 3.39Å; T277-L281 PolarHBondContact O-N 3.48Å; T277-L304 HydrophobicContact CG2-CD1 4.19Å; T277-L388 HydrophobicContact CG2-CD2 3.95Å
278K97.2Very high94.7Very high76 Ų7635.3 Ų35.333%0.3318%0.184SC..Hα-helixtrans-56.9-47.8175.4-179174171.6166.30111.3F274 F275 I276 S280 L281 I282 L388 H391F274-K278 WeakPolarHBondContact O-CB 3.42Å; F274-K278 PolarHBondContact O-N 2.89Å; F275-K278 PolarHBondContact O-N 3.5Å; I276-K278 PolarHBondContact O-N 2.83Å; K278-S280 PolarHBondContact O-N 3Å; K278-L281 PolarHBondContact O-N 3.21Å; K278-I282 HydrophobicContact CD-CD1 4.35Å; K278-I282 HydrophobicContact CG-CD1 3.69Å; K278-I282 HydrophobicContact CG-CG1 4.35Å; K278-I282 VanDerWaalsContact O-CG1 3.31Å; K278-I282 WeakPolarHBondContact O-CG1 3.24Å; K278-I282 PolarHBondContact O-N 3.39Å; K278-L388 HydrophobicContact CB-CD1 3.73Å; K278-L388 HydrophobicContact CG-CD1 3.9Å; K278-H391 WeakPolarHBondContact CE-CD2 3.41Å; K278-H391 VanDerWaalsContact CE-NE2 3.3Å; K278-H391 WeakPolarHBondContact CE-NE2 3.37Å
279K95.9Very high94.7Very high67 Ų6734.9 Ų34.929%0.29118%0.179SC..Hα-helixtrans-57.5-47.6178.9-178-177.1177.6-174.10111.8E174 Y246 F275 I276 T277 R283E174-K279 WeakPolarHBondContact OE1-CE 3.41Å; E174-K279 IonicContact OE1-NZ 2.64Å; E174-K279 PolarHBondContact OE1-NZ 3.15Å; E174-K279 IonicContact OE2-NZ 3.91Å; Y246-K279 PolarHBondContact OH-NZ 3.24Å; Y246-K279 VanDerWaalsContact OH-NZ 3.16Å; F275-K279 WeakPolarHBondContact O-CB 3.47Å; F275-K279 PolarHBondContact O-N 3.49Å; I276-K279 WeakPolarHBondContact O-CB 3.46Å; I276-K279 PolarHBondContact O-N 2.99Å; T277-K279 VanDerWaalsContact C-N 3.34Å; T277-K279 PolarHBondContact O-N 3.44Å; K279-R283 PolarHBondContact O-N 2.75Å; K279-R283 VanDerWaalsContact O-N 3.08Å
280S97.1Very high94.5Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-62.1-42.8177.4-75.20000113E243 I276 T277 K278 R283 S284E243-S280 VanDerWaalsContact OE1-CA 3.26Å; E243-S280 WeakPolarHBondContact OE1-CA 3.31Å; E243-S280 WeakPolarHBondContact OE1-CB 3.3Å; E243-S280 PolarHBondContact OE1-OG 2.91Å; I276-S280 PolarHBondContact O-N 3.22Å; T277-S280 PolarHBondContact O-N 3.34Å; K278-S280 PolarHBondContact O-N 3Å; S280-R283 PolarHBondContact O-N 3.46Å; S280-S284 PolarHBondContact O-N 2.98Å; S280-S284 VanDerWaalsContact O-N 3.11Å
281L97.4Very high94.5Very high8 Ų844.7 Ų44.74%0.04224%0.235CC..Hα-helixtrans-68.8-41.8179.7-68.4171000112T277 K278 R283 S284 L285 M296 V297 L388 L392T277-L281 HydrophobicContact CG2-CD1 3.85Å; T277-L281 HydrophobicContact CG2-CG 4.47Å; T277-L281 WeakPolarHBondContact O-CG 3.39Å; T277-L281 PolarHBondContact O-N 3.48Å; K278-L281 PolarHBondContact O-N 3.21Å; L281-R283 VanDerWaalsContact C-N 3.32Å; L281-R283 PolarHBondContact O-N 3.36Å; L281-S284 PolarHBondContact O-N 3Å; L281-S284 VanDerWaalsContact O-N 3.11Å; L281-S284 PolarHBondContact O-OG 2.89Å; L281-L285 PolarHBondContact O-N 2.8Å; L281-L285 VanDerWaalsContact O-N 3.08Å; L281-M296 HydrophobicContact CD2-CB 4.36Å; L281-M296 HydrophobicContact CD2-CG 4.01Å; L281-V297 HydrophobicContact CD2-CB 4.41Å; L281-V297 HydrophobicContact CD2-CG2 3.81Å; L281-L388 HydrophobicContact CD1-CD1 4.45Å; L281-L388 HydrophobicContact CD1-CD2 4.2Å; L281-L392 HydrophobicContact CB-CD1 4.3Å; L281-L392 HydrophobicContact CB-CD2 3.79Å; L281-L392 HydrophobicContact CD1-CD1 3.62Å
282I95.5Very high94.7Very high56 Ų5639.7 Ų39.729%0.28721%0.208SC..Hα-helixtrans-61-41.3174.7-67.9170.6000111.2K278 S284 L285 S286 H391K278-I282 HydrophobicContact CD-CD1 4.35Å; K278-I282 HydrophobicContact CG-CD1 3.69Å; K278-I282 HydrophobicContact CG-CG1 4.35Å; K278-I282 VanDerWaalsContact O-CG1 3.31Å; K278-I282 WeakPolarHBondContact O-CG1 3.24Å; K278-I282 PolarHBondContact O-N 3.39Å; I282-S284 VanDerWaalsContact C-N 3.3Å; I282-S284 PolarHBondContact O-N 2.99Å; I282-L285 WeakPolarHBondContact O-CB 3.31Å; I282-L285 PolarHBondContact O-N 3.46Å; I282-L285 VanDerWaalsContact O-N 3.15Å; I282-S286 PolarHBondContact O-N 3.14Å; I282-S286 PolarHBondContact O-OG 3.29Å; I282-H391 WeakPolarHBondContact CD1-NE2 3.41Å
283R95.1Very high94.7Very high22 Ų2236.6 Ų36.68%0.08319%0.191CC..Hα-helixtrans-58.7-42.9173.4-78.1-165.9-63.8-164.8-4.4111.9L181 E243 K279 S280 L281 L285 S286L181-R283 WeakPolarHBondContact CD1-O 3.26Å; L181-R283 HydrophobicContact CD2-CB 3.8Å; L181-R283 HydrophobicContact CD2-CG 4.1Å; L181-R283 VanDerWaalsContact CD2-O 3.23Å; L181-R283 WeakPolarHBondContact CD2-O 3.21Å; E243-R283 VanDerWaalsContact CD-NH2 3.35Å; E243-R283 IonicContact OE1-CZ 2.9Å; E243-R283 IonicContact OE1-NE 3.38Å; E243-R283 PolarHBondContact OE1-NE 3.33Å; E243-R283 IonicContact OE1-NH2 2.81Å; E243-R283 PolarHBondContact OE1-NH2 3.45Å; E243-R283 IonicContact OE2-CZ 2.65Å; E243-R283 VanDerWaalsContact OE2-CZ 3.25Å; E243-R283 IonicContact OE2-NE 3.77Å; E243-R283 PolarHBondContact OE2-NE 2.94Å; E243-R283 IonicContact OE2-NH2 3.4Å; E243-R283 PolarHBondContact OE2-NH2 3.31Å; K279-R283 PolarHBondContact O-N 2.75Å; K279-R283 VanDerWaalsContact O-N 3.08Å; S280-R283 PolarHBondContact O-N 3.46Å; L281-R283 VanDerWaalsContact C-N 3.32Å; L281-R283 PolarHBondContact O-N 3.36Å; R283-L285 VanDerWaalsContact C-N 3.25Å; R283-L285 PolarHBondContact O-N 3.05Å; R283-S286 WeakPolarHBondContact O-CB 3.36Å; R283-S286 PolarHBondContact O-N 3Å; R283-S286 VanDerWaalsContact O-N 3.16Å
284S95.5Very high94.6Very high1 Ų139.7 Ų39.71%0.00721%0.212CC..Hα-helixtrans-62.7-33.7177.777.60000112.5Y239 S280 L281 I282 S286 S287 I293Y239-S284 WeakPolarHBondContact OH-CA 3.31Å; Y239-S284 PolarHBondContact OH-N 3.5Å; S280-S284 PolarHBondContact O-N 2.98Å; S280-S284 VanDerWaalsContact O-N 3.11Å; L281-S284 PolarHBondContact O-N 3Å; L281-S284 VanDerWaalsContact O-N 3.11Å; L281-S284 PolarHBondContact O-OG 2.89Å; I282-S284 VanDerWaalsContact C-N 3.3Å; I282-S284 PolarHBondContact O-N 2.99Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.87Å; S284-S287 VanDerWaalsContact O-CB 3.32Å; S284-S287 WeakPolarHBondContact O-CB 3.48Å; S284-S287 PolarHBondContact O-N 3.23Å; S284-S287 PolarHBondContact O-OG 2.92Å; S284-I293 WeakPolarHBondContact O-CG1 3.42Å
285L94Very high94.7Very high10 Ų1039.9 Ų39.95%0.05222%0.218CC..Hα-helixtrans-63-39175.3-67.8173.3000112.1L281 I282 R283 S287 G288 I293 L392 E395 L396 L399L281-L285 PolarHBondContact O-N 2.8Å; L281-L285 VanDerWaalsContact O-N 3.08Å; I282-L285 WeakPolarHBondContact O-CB 3.31Å; I282-L285 PolarHBondContact O-N 3.46Å; I282-L285 VanDerWaalsContact O-N 3.15Å; R283-L285 VanDerWaalsContact C-N 3.25Å; R283-L285 PolarHBondContact O-N 3.05Å; L285-S287 PolarHBondContact O-N 3.17Å; L285-G288 PolarHBondContact O-N 2.91Å; L285-I293 HydrophobicContact CD2-CD1 3.92Å; L285-I293 HydrophobicContact CD2-CG1 4.13Å; L285-I293 HydrophobicContact CD2-CG2 3.87Å; L285-L392 HydrophobicContact CD1-CD2 3.94Å; L285-E395 HydrophobicContact CD1-CB 3.65Å; L285-E395 HydrophobicContact CD1-CG 4.31Å; L285-L396 HydrophobicContact CD2-CD2 3.5Å; L285-L396 HydrophobicContact CD2-CG 3.9Å; L285-L399 HydrophobicContact CB-CD1 4.19Å; L285-L399 HydrophobicContact CD2-CD1 4.14Å
286S91.9Very high94.8Very high63 Ų6333.4 Ų33.444%0.44119%0.189SC..Hα-helixtrans-61.9-23.1177.7-54.90000113.6T185 I282 R283 S284 G288T185-S286 PolarHBondContact OG1-O 3.43Å; I282-S286 PolarHBondContact O-N 3.14Å; I282-S286 PolarHBondContact O-OG 3.29Å; R283-S286 WeakPolarHBondContact O-CB 3.36Å; R283-S286 PolarHBondContact O-N 3Å; R283-S286 VanDerWaalsContact O-N 3.16Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.87Å; S286-G288 PolarHBondContact O-N 3.37Å
287S92.2Very high94.8Very high1 Ų134.9 Ų34.91%0.00720%0.199CC..THydrogen-bonded Turntrans-62.7-24.6175.375.10000112.6S284 L285 N289S284-S287 VanDerWaalsContact O-CB 3.32Å; S284-S287 WeakPolarHBondContact O-CB 3.48Å; S284-S287 PolarHBondContact O-N 3.23Å; S284-S287 PolarHBondContact O-OG 2.92Å; L285-S287 PolarHBondContact O-N 3.17Å; S287-N289 PolarHBondContact O-N 3.45Å; S287-N289 VanDerWaalsContact O-N 3.15Å; S287-N289 PolarHBondContact OG-N 2.65Å
288G87Confident94.7Very high18 Ų1840 Ų4019%0.18623%0.226CC..  trans63.114.2-176.100000114.4R192 L285 S286R192-G288 PolarHBondContact NH2-O 3.25Å; R192-G288 VanDerWaalsContact NH2-O 3.08Å; L285-G288 PolarHBondContact O-N 2.91Å; S286-G288 PolarHBondContact O-N 3.37Å
289N90.7Very high94.6Very high34 Ų3438.8 Ų38.818%0.18222%0.222CC..  trans-108.8117.8-179.8178.2-83.4000110.5L236 S287 D291 T292 I293L236-N289 HydrophobicContact CD1-CB 4.07Å; L236-N289 HydrophobicContact CD2-CB 3.97Å; S287-N289 PolarHBondContact O-N 3.45Å; S287-N289 VanDerWaalsContact O-N 3.15Å; S287-N289 PolarHBondContact OG-N 2.65Å; N289-D291 PolarHBondContact O-N 3.24Å; N289-D291 PolarHBondContact OD1-N 3.36Å; N289-T292 PolarHBondContact O-N 3.4Å; N289-T292 WeakPolarHBondContact OD1-CB 3.45Å; N289-T292 PolarHBondContact OD1-N 2.91Å; N289-T292 PolarHBondContact OD1-OG1 3.48Å; N289-I293 WeakPolarHBondContact O-CD1 3.4Å; N289-I293 WeakPolarHBondContact O-CG1 3.08Å; N289-I293 PolarHBondContact O-N 2.58Å; N289-I293 VanDerWaalsContact O-N 3.08Å
290V91.6Very high94.7Very high86 Ų8635.8 Ų35.852%0.52121%0.209SC..Hα-helixtrans-61.9-41.7-173.8179.30000112T292 I293 C294V290-T292 VanDerWaalsContact C-N 3.3Å; V290-T292 PolarHBondContact O-N 3.1Å; V290-I293 PolarHBondContact O-N 3.25Å; V290-C294 WeakPolarHBondContact O-CB 3.45Å; V290-C294 PolarHBondContact O-N 3.14Å; V290-C294 PolarHBondContact O-SG 2.99Å; V290-C294 VanDerWaalsContact O-SG 3.33Å
291D94Very high94.7Very high123 Ų12338.8 Ų38.866%0.65823%0.23SC*.Hα-helixtrans-63.3-39.3-179.6-58.8-48000111.7N289 C294 A295N289-D291 PolarHBondContact O-N 3.24Å; N289-D291 PolarHBondContact OD1-N 3.36Å; D291-C294 PolarHBondContact O-N 3.25Å; D291-A295 VanDerWaalsContact O-CB 3.28Å; D291-A295 WeakPolarHBondContact O-CB 3.46Å; D291-A295 PolarHBondContact O-N 3.42Å
292T95.5Very high94.6Very high3 Ų341.2 Ų41.22%0.01825%0.247CC..Hα-helixtrans-67.7-42.5177.9-62.50000111.6L236 Y239 L240 N289 V290 A295 M296L236-T292 HydrophobicContact CD2-CG2 4.15Å; L236-T292 WeakPolarHBondContact CD2-OG1 3.26Å; Y239-T292 HydrophobicContact CD1-CG2 3.78Å; Y239-T292 HydrophobicContact CE1-CG2 3.72Å; L240-T292 HydrophobicContact CD1-CG2 4.48Å; L240-T292 HydrophobicContact CD2-CG2 3.87Å; L240-T292 HydrophobicContact CG-CG2 4.06Å; N289-T292 PolarHBondContact O-N 3.4Å; N289-T292 WeakPolarHBondContact OD1-CB 3.45Å; N289-T292 PolarHBondContact OD1-N 2.91Å; N289-T292 PolarHBondContact OD1-OG1 3.48Å; V290-T292 VanDerWaalsContact C-N 3.3Å; V290-T292 PolarHBondContact O-N 3.1Å; T292-A295 PolarHBondContact O-N 3.28Å; T292-M296 WeakPolarHBondContact O-CB 3.33Å; T292-M296 PolarHBondContact O-N 3.02Å
293I95.1Very high94.6Very high18 Ų1838.9 Ų38.99%0.09224%0.235CC..Hα-helixtrans-61.2-49.5175.1-64.4160.6000109.9S284 L285 N289 V290 A295 M296 V297S284-I293 WeakPolarHBondContact O-CG1 3.42Å; L285-I293 HydrophobicContact CD2-CD1 3.92Å; L285-I293 HydrophobicContact CD2-CG1 4.13Å; L285-I293 HydrophobicContact CD2-CG2 3.87Å; N289-I293 WeakPolarHBondContact O-CD1 3.4Å; N289-I293 WeakPolarHBondContact O-CG1 3.08Å; N289-I293 PolarHBondContact O-N 2.58Å; N289-I293 VanDerWaalsContact O-N 3.08Å; V290-I293 PolarHBondContact O-N 3.25Å; I293-A295 PolarHBondContact O-N 3.44Å; I293-M296 PolarHBondContact O-N 3.24Å; I293-V297 WeakPolarHBondContact O-CG2 3.29Å; I293-V297 PolarHBondContact O-N 2.97Å
294C95.6Very high94.7Very high65 Ų6538.8 Ų38.844%0.43924%0.236SC..Hα-helixtrans-60.1-45178-73.10000112.4V290 D291 M296 V297 N298V290-C294 WeakPolarHBondContact O-CB 3.45Å; V290-C294 PolarHBondContact O-N 3.14Å; V290-C294 PolarHBondContact O-SG 2.99Å; V290-C294 VanDerWaalsContact O-SG 3.33Å; D291-C294 PolarHBondContact O-N 3.25Å; C294-M296 VanDerWaalsContact C-N 3.34Å; C294-M296 PolarHBondContact O-N 2.97Å; C294-V297 PolarHBondContact O-N 2.86Å; C294-N298 VanDerWaalsContact O-CG 3.31Å; C294-N298 PolarHBondContact O-N 3.17Å; C294-N298 PolarHBondContact O-ND2 3.41Å; C294-N298 VanDerWaalsContact O-ND2 3.15Å
295A97.1Very high94.7Very high25 Ų2543.1 Ų43.121%0.20726%0.258CS..Hα-helixtrans-60.8-43.6176.500000111.4L240 D291 T292 I293 N298 H299L240-A295 HydrophobicContact CD1-CB 4Å; L240-A295 HydrophobicContact CD2-CB 3.83Å; D291-A295 VanDerWaalsContact O-CB 3.28Å; D291-A295 WeakPolarHBondContact O-CB 3.46Å; D291-A295 PolarHBondContact O-N 3.42Å; T292-A295 PolarHBondContact O-N 3.28Å; I293-A295 PolarHBondContact O-N 3.44Å; A295-N298 PolarHBondContact O-N 2.69Å; A295-H299 WeakPolarHBondContact O-CB 3.42Å; A295-H299 PolarHBondContact O-CD2 2.7Å; A295-H299 PolarHBondContact O-N 3.36Å
296M97.2Very high94.8Very high0 Ų045.7 Ų45.70%027%0.272CS..Hα-helixtrans-67-41.1179.9-164.561.3-129.900112.4L240 E243 L247 L281 T292 I293 C294 N298 H299 S300L240-M296 HydrophobicContact CD2-CB 4.47Å; E243-M296 HydrophobicContact CB-SD 4.07Å; E243-M296 HydrophobicContact CG-CE 4.05Å; E243-M296 HydrophobicContact CG-CG 4.41Å; E243-M296 HydrophobicContact CG-SD 3.39Å; E243-M296 WeakPolarHBondContact CG-SD 3.36Å; L247-M296 HydrophobicContact CB-CE 4.29Å; L247-M296 HydrophobicContact CD2-CE 3.32Å; L247-M296 HydrophobicContact CG-CE 4.41Å; L281-M296 HydrophobicContact CD2-CB 4.36Å; L281-M296 HydrophobicContact CD2-CG 4.01Å; T292-M296 WeakPolarHBondContact O-CB 3.33Å; T292-M296 PolarHBondContact O-N 3.02Å; I293-M296 PolarHBondContact O-N 3.24Å; C294-M296 VanDerWaalsContact C-N 3.34Å; C294-M296 PolarHBondContact O-N 2.97Å; M296-N298 VanDerWaalsContact C-N 3.35Å; M296-N298 PolarHBondContact O-N 2.97Å; M296-H299 HydrophobicContact CE-CB 4.13Å; M296-H299 PolarHBondContact O-N 3.13Å; M296-S300 WeakPolarHBondContact O-CB 3.42Å; M296-S300 PolarHBondContact O-N 2.94Å; M296-S300 PolarHBondContact O-OG 3.43Å; M296-S300 VanDerWaalsContact O-OG 3.11Å
297V96.8Very high94.9Very high55 Ų5543.2 Ų43.233%0.33325%0.254SS..Hα-helixtrans-57.1-48.8172.51710000110.7L281 I293 C294 H299 S300 C301L281-V297 HydrophobicContact CD2-CB 4.41Å; L281-V297 HydrophobicContact CD2-CG2 3.81Å; I293-V297 WeakPolarHBondContact O-CG2 3.29Å; I293-V297 PolarHBondContact O-N 2.97Å; C294-V297 PolarHBondContact O-N 2.86Å; V297-H299 VanDerWaalsContact C-N 3.34Å; V297-H299 PolarHBondContact O-N 2.91Å; V297-S300 PolarHBondContact O-N 3.47Å; V297-C301 PolarHBondContact O-N 3.1Å; V297-C301 PolarHBondContact O-SG 2.91Å; V297-C301 VanDerWaalsContact O-SG 3.37Å
298N96.5Very high95Very high108 Ų10843.4 Ų43.458%0.57826%0.255SS*.Hα-helixtrans-62.2-41178.6-72.1-32.4000112.3C294 A295 M296 C301 S302C294-N298 VanDerWaalsContact O-CG 3.31Å; C294-N298 PolarHBondContact O-N 3.17Å; C294-N298 PolarHBondContact O-ND2 3.41Å; C294-N298 VanDerWaalsContact O-ND2 3.15Å; A295-N298 PolarHBondContact O-N 2.69Å; M296-N298 VanDerWaalsContact C-N 3.35Å; M296-N298 PolarHBondContact O-N 2.97Å; N298-C301 PolarHBondContact O-N 3.22Å; N298-S302 WeakPolarHBondContact O-CB 3.32Å; N298-S302 PolarHBondContact O-N 3.31Å
299H95.5Very high95.3Very high52 Ų5246 Ų4624%0.24127%0.267CS..Hα-helixtrans-62.7-45.8174.6-69.5-18000111.9Q244 A295 M296 V297 S302 I303Q244-H299 HydrophobicContact CG-CB 4.32Å; Q244-H299 PolarHBondContact NE2-CE1 3.39Å; Q244-H299 VanDerWaalsContact NE2-CE1 3.26Å; Q244-H299 PolarHBondContact NE2-ND1 3.19Å; Q244-H299 VanDerWaalsContact NE2-ND1 3.19Å; A295-H299 WeakPolarHBondContact O-CB 3.42Å; A295-H299 PolarHBondContact O-CD2 2.7Å; A295-H299 PolarHBondContact O-N 3.36Å; M296-H299 HydrophobicContact CE-CB 4.13Å; M296-H299 PolarHBondContact O-N 3.13Å; V297-H299 VanDerWaalsContact C-N 3.34Å; V297-H299 PolarHBondContact O-N 2.91Å; H299-S302 PolarHBondContact O-N 3.42Å; H299-I303 WeakPolarHBondContact O-CB 3.32Å; H299-I303 WeakPolarHBondContact O-CD1 3.4Å; H299-I303 VanDerWaalsContact O-CG1 3.24Å; H299-I303 WeakPolarHBondContact O-CG1 3.37Å; H299-I303 PolarHBondContact O-N 3.22Å
300S97.1Very high95.4Very high3 Ų347.6 Ų47.62%0.02128%0.276CS..Hα-helixtrans-59.9-46.7176.5-65.30000111.9L247 M296 V297 S302 I303 L304L247-S300 WeakPolarHBondContact CD2-OG 3.46Å; M296-S300 WeakPolarHBondContact O-CB 3.42Å; M296-S300 PolarHBondContact O-N 2.94Å; M296-S300 PolarHBondContact O-OG 3.43Å; M296-S300 VanDerWaalsContact O-OG 3.11Å; V297-S300 PolarHBondContact O-N 3.47Å; S300-S302 PolarHBondContact O-N 3.48Å; S300-I303 PolarHBondContact O-N 3.23Å; S300-L304 WeakPolarHBondContact O-CB 3.47Å; S300-L304 VanDerWaalsContact O-CG 3.31Å; S300-L304 WeakPolarHBondContact O-CG 3.4Å; S300-L304 PolarHBondContact O-N 3.47Å
301C96.7Very high95.3Very high64 Ų6447.2 Ų47.243%0.43227%0.271SS..Hα-helixtrans-58.9-48.4176.5-70.20000112V297 N298 I303 L304 I305V297-C301 PolarHBondContact O-N 3.1Å; V297-C301 PolarHBondContact O-SG 2.91Å; V297-C301 VanDerWaalsContact O-SG 3.37Å; N298-C301 PolarHBondContact O-N 3.22Å; C301-I303 PolarHBondContact O-N 3.27Å; C301-L304 PolarHBondContact O-N 2.93Å; C301-I305 WeakPolarHBondContact O-CB 3.44Å; C301-I305 VanDerWaalsContact O-CG1 3.28Å; C301-I305 WeakPolarHBondContact O-CG1 3.42Å; C301-I305 PolarHBondContact O-N 3.4Å
302S96.6Very high95.2Very high58 Ų5843.5 Ų43.541%0.40625%0.249SC..Hα-helixtrans-59.3-46.1178-169.80000111.5N298 H299 S300 I305 D306N298-S302 WeakPolarHBondContact O-CB 3.32Å; N298-S302 PolarHBondContact O-N 3.31Å; H299-S302 PolarHBondContact O-N 3.42Å; S300-S302 PolarHBondContact O-N 3.48Å; S302-I305 PolarHBondContact O-N 3.37Å; S302-D306 WeakPolarHBondContact O-CB 3.46Å; S302-D306 VanDerWaalsContact O-CG 3.22Å; S302-D306 PolarHBondContact O-N 3.26Å; S302-D306 PolarHBondContact OG-OD2 3.45Å
303I95.6Very high95Very high8 Ų843.6 Ų43.64%0.04125%0.249CC..Hα-helixtrans-65-42.7-178.4-70.2166.7000111.4Q244 L247 R248 I251 H299 S300 C301 L307Q244-I303 HydrophobicContact CG-CD1 4.28Å; L247-I303 HydrophobicContact CB-CD1 4.27Å; L247-I303 HydrophobicContact CD2-CD1 3.95Å; L247-I303 HydrophobicContact CG-CD1 4.04Å; R248-I303 HydrophobicContact CB-CD1 4.08Å; I251-I303 HydrophobicContact CB-CG2 4.46Å; I251-I303 HydrophobicContact CD1-CG2 3.75Å; I251-I303 HydrophobicContact CG2-CG2 4.43Å; H299-I303 WeakPolarHBondContact O-CB 3.32Å; H299-I303 WeakPolarHBondContact O-CD1 3.4Å; H299-I303 VanDerWaalsContact O-CG1 3.24Å; H299-I303 WeakPolarHBondContact O-CG1 3.37Å; H299-I303 PolarHBondContact O-N 3.22Å; S300-I303 PolarHBondContact O-N 3.23Å; C301-I303 PolarHBondContact O-N 3.27Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 HydrophobicContact CG2-CG 4.28Å; I303-L307 WeakPolarHBondContact O-CB 3.43Å; I303-L307 PolarHBondContact O-N 2.92Å
304L96.8Very high94.8Very high20 Ų2043.3 Ų43.311%0.10525%0.25CS..Iπ-helixtrans-64.8-43.4177.1-70.7175.9000111.9I251 V273 T277 S300 C301 M308 V309I251-L304 HydrophobicContact CD1-CD2 4.13Å; V273-L304 HydrophobicContact CG1-CD2 3.4Å; V273-L304 VanDerWaalsContact CG1-CD2 3.4Å; T277-L304 HydrophobicContact CG2-CD1 4.19Å; S300-L304 WeakPolarHBondContact O-CB 3.47Å; S300-L304 VanDerWaalsContact O-CG 3.31Å; S300-L304 WeakPolarHBondContact O-CG 3.4Å; S300-L304 PolarHBondContact O-N 3.47Å; C301-L304 PolarHBondContact O-N 2.93Å; L304-M308 HydrophobicContact CD2-SD 4.25Å; L304-M308 WeakPolarHBondContact O-CB 3.36Å; L304-M308 PolarHBondContact O-N 2.64Å; L304-V309 PolarHBondContact O-N 2.85Å
305I95.9Very high94.4Very high91 Ų9143.9 Ų43.947%0.46725%0.249SC..Iπ-helixtrans-63-48.3177.2-70.8167000110.5C301 S302 V309 N310C301-I305 WeakPolarHBondContact O-CB 3.44Å; C301-I305 VanDerWaalsContact O-CG1 3.28Å; C301-I305 WeakPolarHBondContact O-CG1 3.42Å; C301-I305 PolarHBondContact O-N 3.4Å; S302-I305 PolarHBondContact O-N 3.37Å; I305-V309 WeakPolarHBondContact O-CB 3.09Å; I305-N310 WeakPolarHBondContact O-CB 3.29Å; I305-N310 VanDerWaalsContact O-CG 3.29Å; I305-N310 PolarHBondContact O-N 3.45Å; I305-N310 PolarHBondContact O-ND2 2.84Å
306D94.6Very high93.9Very high65 Ų6543.9 Ų43.935%0.34825%0.245SC..Iπ-helixtrans-71.3-55.1-174.4-68.3-25.4000112S302 N310 D311S302-D306 WeakPolarHBondContact O-CB 3.46Å; S302-D306 VanDerWaalsContact O-CG 3.22Å; S302-D306 PolarHBondContact O-N 3.26Å; S302-D306 PolarHBondContact OG-OD2 3.45Å; D306-N310 WeakPolarHBondContact O-CB 3.08Å; D306-D311 WeakPolarHBondContact O-CB 3.12Å; D306-D311 VanDerWaalsContact O-CG 3.3Å; D306-D311 PolarHBondContact O-N 3.15Å
307L93.9Very high93.4Very high10 Ų1045 Ų455%0.05225%0.251CS..Iπ-helixtrans-80.2-52.3-172-60.9-176000112.5R248 I251 M252 L255 I303 F312R248-L307 HydrophobicContact CG-CD1 4.08Å; I251-L307 HydrophobicContact CB-CD1 4.39Å; I251-L307 HydrophobicContact CG2-CB 4.3Å; I251-L307 HydrophobicContact CG2-CD1 3.91Å; M252-L307 HydrophobicContact CG-CD1 3.51Å; M252-L307 HydrophobicContact CG-CD2 4.11Å; M252-L307 HydrophobicContact CG-CG 4.44Å; M252-L307 HydrophobicContact SD-CD2 4.47Å; L255-L307 HydrophobicContact CD1-CB 3.69Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 HydrophobicContact CG2-CG 4.28Å; I303-L307 WeakPolarHBondContact O-CB 3.43Å; I303-L307 PolarHBondContact O-N 2.92Å; L307-F312 WeakPolarHBondContact O-CB 3.32Å; L307-F312 PolarHBondContact O-N 3.42Å
308M94.2Very high92.7Very high5 Ų548.9 Ų48.93%0.02526%0.26CS..Iπ-helixtrans-79.2-51.3-172.6175-178168.500110.9L255 F269 I270 V273 F274 L304 L313 S381L255-M308 HydrophobicContact CD1-CB 4.43Å; L255-M308 HydrophobicContact CD2-CB 4.23Å; L255-M308 HydrophobicContact CD2-CG 4.32Å; F269-M308 HydrophobicContact CE2-CE 4.35Å; F269-M308 HydrophobicContact CE2-CG 4.23Å; I270-M308 HydrophobicContact CD1-CE 3.36Å; V273-M308 HydrophobicContact CG1-SD 3.83Å; F274-M308 HydrophobicContact CE2-CE 4.12Å; L304-M308 HydrophobicContact CD2-SD 4.25Å; L304-M308 WeakPolarHBondContact O-CB 3.36Å; L304-M308 PolarHBondContact O-N 2.64Å; M308-L313 HydrophobicContact CE-CD1 4.02Å; M308-L313 HydrophobicContact CG-CD1 4.06Å; M308-L313 WeakPolarHBondContact O-CB 3.36Å; M308-L313 VanDerWaalsContact O-CG 3.25Å; M308-L313 WeakPolarHBondContact O-CG 2.97Å; M308-L313 PolarHBondContact O-N 2.89Å; M308-S381 WeakPolarHBondContact CE-OG 3.22Å
309V93.9Very high92Very high73 Ų7347.8 Ų47.844%0.44226%0.257SS..Iπ-helixtrans-77.2-56.1-175.4-179.90000111.7L304 I305 G314L304-V309 PolarHBondContact O-N 2.85Å; I305-V309 WeakPolarHBondContact O-CB 3.09Å; V309-G314 WeakPolarHBondContact O-CA 3.23Å; V309-G314 PolarHBondContact O-N 3.05Å
310N92.1Very high91Very high68 Ų6845.4 Ų45.436%0.36425%0.246SC..Iπ-helixtrans-78.4-50.4-171.4-70.4-33.6000113I305 D306I305-N310 WeakPolarHBondContact O-CB 3.29Å; I305-N310 VanDerWaalsContact O-CG 3.29Å; I305-N310 PolarHBondContact O-N 3.45Å; I305-N310 PolarHBondContact O-ND2 2.84Å; D306-N310 WeakPolarHBondContact O-CB 3.08Å
311D91.1Very high90.1Very high78 Ų7845.6 Ų45.642%0.41725%0.247SC..Iπ-helixtrans-82.8-35.6-172.7-73.6-16.5000113.3D306 N315D306-D311 WeakPolarHBondContact O-CB 3.12Å; D306-D311 VanDerWaalsContact O-CG 3.3Å; D306-D311 PolarHBondContact O-N 3.15Å; D311-N315 WeakPolarHBondContact O-CB 3.47Å; D311-N315 VanDerWaalsContact O-CG 3.26Å; D311-N315 PolarHBondContact O-ND2 2.89Å
312F91.6Very high88.7Confident44 Ų4447.4 Ų47.419%0.19326%0.258CS..Iπ-helixtrans-94.8-73.3179.5-167.1-87000112.3L255 W267 F269 L307 G314 N315 I316L255-F312 HydrophobicContact CB-CD2 4.29Å; L255-F312 HydrophobicContact CD2-CB 4.12Å; L255-F312 HydrophobicContact CD2-CD1 4.44Å; L255-F312 HydrophobicContact CD2-CD2 4.43Å; L255-F312 HydrophobicContact CD2-CG 4.08Å; L255-F312 WeakPolarHBondContact O-CE2 3.39Å; W267-F312 HydrophobicContact CD2-CE1 4.38Å; F269-F312 HydrophobicContact CD1-CE1 4.18Å; F269-F312 HydrophobicContact CD1-CZ 4.27Å; F269-F312 AromaticContact CE1-CD1 3.71Å; F269-F312 HydrophobicContact CE1-CD1 3.71Å; F269-F312 AromaticContact CE1-CE1 3.15Å; F269-F312 HydrophobicContact CE1-CE1 3.15Å; F269-F312 AromaticContact CE1-CZ 3.64Å; F269-F312 HydrophobicContact CE1-CZ 3.64Å; F269-F312 AromaticContact CZ-CD1 3.59Å; F269-F312 HydrophobicContact CZ-CD1 3.59Å; F269-F312 AromaticContact CZ-CE1 3.54Å; F269-F312 HydrophobicContact CZ-CE1 3.54Å; F269-F312 HydrophobicContact CZ-CG 4.49Å; F269-F312 HydrophobicContact CZ-CZ 4.38Å; L307-F312 WeakPolarHBondContact O-CB 3.32Å; L307-F312 PolarHBondContact O-N 3.42Å; F312-G314 PolarHBondContact O-N 3.01Å; F312-N315 PolarHBondContact O-N 2.81Å; F312-N315 VanDerWaalsContact O-N 3.16Å; F312-I316 HydrophobicContact CD1-CD1 3.73Å; F312-I316 HydrophobicContact CE1-CD1 3.19Å; F312-I316 HydrophobicContact CE1-CG1 4.46Å; F312-I316 HydrophobicContact CE2-CD1 4.49Å; F312-I316 HydrophobicContact CZ-CD1 3.67Å; F312-I316 PolarHBondContact O-N 3.29Å; F312-I316 VanDerWaalsContact O-N 3.12Å
313L91.6Very high87.3Confident5 Ų548.6 Ų48.63%0.02627%0.266CS..Iπ-helixtrans-62-43.3-172.9-63.1173000111.7F269 M308 N315 I316 I317 T374 I378F269-L313 HydrophobicContact CZ-CD2 4.01Å; M308-L313 HydrophobicContact CE-CD1 4.02Å; M308-L313 HydrophobicContact CG-CD1 4.06Å; M308-L313 WeakPolarHBondContact O-CB 3.36Å; M308-L313 VanDerWaalsContact O-CG 3.25Å; M308-L313 WeakPolarHBondContact O-CG 2.97Å; M308-L313 PolarHBondContact O-N 2.89Å; L313-N315 VanDerWaalsContact C-N 3.29Å; L313-N315 PolarHBondContact O-N 3.46Å; L313-I316 PolarHBondContact O-N 2.9Å; L313-I317 WeakPolarHBondContact O-CG1 3.27Å; L313-I317 PolarHBondContact O-N 3.01Å; L313-T374 HydrophobicContact CB-CG2 4.05Å; L313-T374 HydrophobicContact CD2-CG2 3.79Å; L313-T374 HydrophobicContact CG-CG2 4.48Å; L313-I378 HydrophobicContact CD1-CG1 4.21Å
314G89.5Confident85.9Confident12 Ų1250.7 Ų50.712%0.12429%0.289CS..Hα-helixtrans-61.3-34.917800000113.2V309 F312 R318V309-G314 WeakPolarHBondContact O-CA 3.23Å; V309-G314 PolarHBondContact O-N 3.05Å; F312-G314 PolarHBondContact O-N 3.01Å; G314-R318 VanDerWaalsContact O-CG 3.28Å; G314-R318 WeakPolarHBondContact O-CG 2.88Å; G314-R318 PolarHBondContact O-N 2.87Å
315N87.3Confident84.5Confident78 Ų7855.7 Ų55.742%0.41731%0.307SS..Hα-helixtrans-73.8-37.2176-76.9-19.4000112.1D311 F312 L313 R318 T319D311-N315 WeakPolarHBondContact O-CB 3.47Å; D311-N315 VanDerWaalsContact O-CG 3.26Å; D311-N315 PolarHBondContact O-ND2 2.89Å; F312-N315 PolarHBondContact O-N 2.81Å; F312-N315 VanDerWaalsContact O-N 3.16Å; L313-N315 VanDerWaalsContact C-N 3.29Å; L313-N315 PolarHBondContact O-N 3.46Å; N315-R318 PolarHBondContact O-N 3.16Å; N315-R318 PolarHBondContact OD1-NH1 3.12Å; N315-T319 VanDerWaalsContact O-CG2 3.31Å; N315-T319 WeakPolarHBondContact O-CG2 3.39Å; N315-T319 PolarHBondContact O-N 3.38Å; N315-T319 PolarHBondContact O-OG1 3.35Å; N315-T319 VanDerWaalsContact O-OG1 3.1Å
316I87.4Confident83.3Confident24 Ų2455.8 Ų55.812%0.12331%0.312CS..Hα-helixtrans-63.8-44.6174.3-64.9172.9000110.7W267 F312 L313 R318 T319 G320 H370 T374W267-I316 HydrophobicContact CH2-CD1 4.33Å; W267-I316 HydrophobicContact CZ2-CD1 3.64Å; W267-I316 HydrophobicContact CZ2-CG2 4.47Å; F312-I316 HydrophobicContact CD1-CD1 3.73Å; F312-I316 HydrophobicContact CE1-CD1 3.19Å; F312-I316 HydrophobicContact CE1-CG1 4.46Å; F312-I316 HydrophobicContact CE2-CD1 4.49Å; F312-I316 HydrophobicContact CZ-CD1 3.67Å; F312-I316 PolarHBondContact O-N 3.29Å; F312-I316 VanDerWaalsContact O-N 3.12Å; L313-I316 PolarHBondContact O-N 2.9Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 2.61Å; I316-T319 WeakPolarHBondContact CA-OG1 3.38Å; I316-T319 PolarHBondContact O-N 3.41Å; I316-T319 PolarHBondContact O-OG1 3.16Å; I316-G320 PolarHBondContact O-N 3.37Å; I316-G320 VanDerWaalsContact O-N 3.08Å; I316-H370 HydrophobicContact CG2-CB 3.72Å; I316-T374 VanDerWaalsContact CG2-OG1 3.25Å; I316-T374 WeakPolarHBondContact CG2-OG1 3.46Å
317I85.7Confident82.5Confident23 Ų2358.2 Ų58.212%0.11832%0.321CS..Hα-helixtrans-57.1-47.1177.2-72.6168.9000111.4L313 T319 G320 W325 F371 T374 I378L313-I317 WeakPolarHBondContact O-CG1 3.27Å; L313-I317 PolarHBondContact O-N 3.01Å; I317-T319 PolarHBondContact O-N 3.19Å; I317-G320 PolarHBondContact O-N 2.95Å; I317-W325 HydrophobicContact CG2-CD2 4.3Å; I317-W325 HydrophobicContact CG2-CE3 3.49Å; I317-W325 VanDerWaalsContact CG2-CE3 3.49Å; I317-W325 HydrophobicContact CG2-CH2 4.13Å; I317-W325 HydrophobicContact CG2-CZ3 3.39Å; I317-F371 HydrophobicContact CB-CD2 4.48Å; I317-F371 HydrophobicContact CG1-CD2 4.34Å; I317-F371 HydrophobicContact CG2-CD2 4.32Å; I317-F371 HydrophobicContact CG2-CE2 4.11Å; I317-T374 HydrophobicContact CD1-CG2 3.87Å; I317-T374 HydrophobicContact CG1-CG2 3.64Å; I317-I378 HydrophobicContact CD1-CD1 3.99Å
318R82.5Confident81.6Confident137 Ų13761.3 Ų61.352%0.51734%0.338SS..Hα-helixtrans-67.4-33.9-179.9-69.9175.1-165116.53.4113G314 N315 I316 F321 P322G314-R318 VanDerWaalsContact O-CG 3.28Å; G314-R318 WeakPolarHBondContact O-CG 2.88Å; G314-R318 PolarHBondContact O-N 2.87Å; N315-R318 PolarHBondContact O-N 3.16Å; N315-R318 PolarHBondContact OD1-NH1 3.12Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 2.61Å; R318-F321 CarbonylContact O-C 3.3Å; R318-F321 VanDerWaalsContact O-C 3.3Å; R318-P322 VanDerWaalsContact O-CA 3.3Å; R318-P322 WeakPolarHBondContact O-CA 3.17Å
319T82.2Confident80.6Confident86 Ų8661.3 Ų61.353%0.52834%0.338SS..Hα-helixtrans-74.3-31.3179.452.70000112.9N315 I316 I317 F321N315-T319 VanDerWaalsContact O-CG2 3.31Å; N315-T319 WeakPolarHBondContact O-CG2 3.39Å; N315-T319 PolarHBondContact O-N 3.38Å; N315-T319 PolarHBondContact O-OG1 3.35Å; N315-T319 VanDerWaalsContact O-OG1 3.1Å; I316-T319 WeakPolarHBondContact CA-OG1 3.38Å; I316-T319 PolarHBondContact O-N 3.41Å; I316-T319 PolarHBondContact O-OG1 3.16Å; I317-T319 PolarHBondContact O-N 3.19Å; T319-F321 VanDerWaalsContact C-N 3.31Å; T319-F321 PolarHBondContact O-N 3.2Å
320G75.2Confident79.7Confident1 Ų164 Ų641%0.0134%0.342CS..Hα-helixtrans-62-36.5174.400000113.6I316 I317I316-G320 PolarHBondContact O-N 3.37Å; I316-G320 VanDerWaalsContact O-N 3.08Å; I317-G320 PolarHBondContact O-N 2.95Å
321F76.8Confident79Confident8 Ų864 Ų644%0.03534%0.342CS..  trans-142.786.2-179.8-61.2-88.5000110.5R318 T319 S323 W325 D328 A329 Y332 R368 F371R318-F321 CarbonylContact O-C 3.3Å; R318-F321 VanDerWaalsContact O-C 3.3Å; T319-F321 VanDerWaalsContact C-N 3.31Å; T319-F321 PolarHBondContact O-N 3.2Å; F321-S323 VanDerWaalsContact C-N 3.26Å; F321-S323 PolarHBondContact O-N 2.94Å; F321-W325 HydrophobicContact CB-CB 3.57Å; F321-W325 WeakPolarHBondContact O-CB 3.25Å; F321-D328 HydrophobicContact CD1-CB 3.63Å; F321-D328 HydrophobicContact CE1-CB 4.15Å; F321-A329 HydrophobicContact CD1-CB 4.38Å; F321-A329 HydrophobicContact CD2-CB 3.66Å; F321-A329 HydrophobicContact CE1-CB 4.27Å; F321-A329 HydrophobicContact CE2-CB 3.55Å; F321-A329 HydrophobicContact CG-CB 4.1Å; F321-A329 HydrophobicContact CZ-CB 3.88Å; F321-Y332 HydrophobicContact CE1-CG 4.31Å; F321-Y332 AromaticContact CZ-CD1 3.82Å; F321-Y332 HydrophobicContact CZ-CD1 3.82Å; F321-Y332 AromaticContact CZ-CG 3.77Å; F321-Y332 HydrophobicContact CZ-CG 3.77Å; F321-R368 HydrophobicContact CE1-CG 4.28Å; F321-R368 HydrophobicContact CE2-CG 4.32Å; F321-R368 HydrophobicContact CZ-CG 3.89Å; F321-F371 HydrophobicContact CD2-CD1 4.42Å; F321-F371 AromaticContact CD2-CD2 3.88Å; F321-F371 HydrophobicContact CD2-CD2 3.88Å; F321-F371 HydrophobicContact CD2-CE2 4.16Å; F321-F371 HydrophobicContact CD2-CG 4.04Å; F321-F371 HydrophobicContact CE2-CB 4.17Å; F321-F371 AromaticContact CE2-CD1 3.69Å; F321-F371 HydrophobicContact CE2-CD1 3.69Å; F321-F371 AromaticContact CE2-CD2 3.97Å; F321-F371 HydrophobicContact CE2-CD2 3.97Å; F321-F371 HydrophobicContact CE2-CE1 4.03Å; F321-F371 HydrophobicContact CE2-CE2 4.29Å; F321-F371 AromaticContact CE2-CG 3.66Å; F321-F371 HydrophobicContact CE2-CG 3.66Å; F321-F371 HydrophobicContact CE2-CZ 4.33Å
322P68.8Low78.2Confident102 Ų10261.8 Ų61.866%0.66233%0.328SS*.SBendtrans-68.4-17-170.623.3-33.2000115.3R318R318-P322 VanDerWaalsContact O-CA 3.3Å; R318-P322 WeakPolarHBondContact O-CA 3.17Å
323S67.3Low77.4Confident83 Ų8361.9 Ų61.958%0.5833%0.332SS*.SBendtrans-138.2140.6177.354.80000109.7F321 W325F321-S323 VanDerWaalsContact C-N 3.26Å; F321-S323 PolarHBondContact O-N 2.94Å; S323-W325 PolarHBondContact O-N 2.89Å; S323-W325 VanDerWaalsContact O-N 3.12Å
324G66Low76.6Confident51 Ų5165.9 Ų65.953%0.52635%0.35SS..SBendtrans60.625.9174.900000114.4V326 Q327 D328G324-V326 PolarHBondContact O-N 3.12Å; G324-Q327 PolarHBondContact O-N 3.3Å; G324-D328 PolarHBondContact O-N 3.01Å
325W67Low75.9Confident125 Ų12570.4 Ų70.447%0.47337%0.371SS..Hα-helixtrans-50.3-39-164.570.6-75.9000114.7I317 F321 S323 A329 F371I317-W325 HydrophobicContact CG2-CD2 4.3Å; I317-W325 HydrophobicContact CG2-CE3 3.49Å; I317-W325 VanDerWaalsContact CG2-CE3 3.49Å; I317-W325 HydrophobicContact CG2-CH2 4.13Å; I317-W325 HydrophobicContact CG2-CZ3 3.39Å; F321-W325 HydrophobicContact CB-CB 3.57Å; F321-W325 WeakPolarHBondContact O-CB 3.25Å; S323-W325 PolarHBondContact O-N 2.89Å; S323-W325 VanDerWaalsContact O-N 3.12Å; W325-A329 WeakPolarHBondContact O-CA 3.43Å; W325-A329 WeakPolarHBondContact O-CB 3.35Å; W325-A329 PolarHBondContact O-N 3.2Å; W325-F371 HydrophobicContact CE3-CE2 4.41Å
326V71.2Confident74.9Confident94 Ų9468 Ų6857%0.5736%0.361SS*.Hα-helixtrans-62.2-48.5178.4-177.80000111.1G324 Y330G324-V326 PolarHBondContact O-N 3.12Å; V326-Y330 WeakPolarHBondContact O-CB 3.15Å; V326-Y330 PolarHBondContact O-N 3.35Å
327Q76.4Confident73.8Confident115 Ų11571.2 Ų71.254%0.53738%0.381SS..Hα-helixtrans-73.1-44.5-177.3-16864.736.700111.7G324 Y330 N331G324-Q327 PolarHBondContact O-N 3.3Å; Q327-Y330 PolarHBondContact O-N 2.76Å; Q327-N331 PolarHBondContact NE2-OD1 3.49Å; Q327-N331 WeakPolarHBondContact O-CB 3.4Å; Q327-N331 PolarHBondContact O-N 2.94Å; Q327-N331 PolarHBondContact O-ND2 2.94Å
328D74.9Confident72.7Confident75 Ų7572.9 Ų72.940%0.40140%0.399SS..Hα-helixtrans-69-38.6-179.3-74.2-10.8000111.6F321 G324 Y332F321-D328 HydrophobicContact CD1-CB 3.63Å; F321-D328 HydrophobicContact CE1-CB 4.15Å; G324-D328 PolarHBondContact O-N 3.01Å; D328-Y332 VanDerWaalsContact O-CB 3.26Å; D328-Y332 WeakPolarHBondContact O-CB 3.33Å; D328-Y332 PolarHBondContact O-N 3.04Å
329A73.7Confident71.5Confident5 Ų570.9 Ų70.94%0.04140%0.401CS..Hα-helixtrans-68.6-41.417300000111.7F321 W325 N331 Y332 V333 F371F321-A329 HydrophobicContact CD1-CB 4.38Å; F321-A329 HydrophobicContact CD2-CB 3.66Å; F321-A329 HydrophobicContact CE1-CB 4.27Å; F321-A329 HydrophobicContact CE2-CB 3.55Å; F321-A329 HydrophobicContact CG-CB 4.1Å; F321-A329 HydrophobicContact CZ-CB 3.88Å; W325-A329 WeakPolarHBondContact O-CA 3.43Å; W325-A329 WeakPolarHBondContact O-CB 3.35Å; W325-A329 PolarHBondContact O-N 3.2Å; A329-N331 PolarHBondContact O-N 3.3Å; A329-Y332 PolarHBondContact O-N 2.65Å; A329-V333 WeakPolarHBondContact O-CB 3.48Å; A329-V333 VanDerWaalsContact O-CG2 3.28Å; A329-V333 WeakPolarHBondContact O-CG2 3.2Å; A329-V333 PolarHBondContact O-N 2.94Å; A329-F371 HydrophobicContact CB-CE1 3.8Å; A329-F371 HydrophobicContact CB-CE2 4.05Å; A329-F371 HydrophobicContact CB-CZ 3.45Å; A329-F371 VanDerWaalsContact CB-CZ 3.45Å
330Y75.8Confident70.2Confident130 Ų13070.1 Ų70.151%0.5140%0.404SS..Hα-helixtrans-59.3-48175.7-175.9-94.6000110.9V326 Q327 Y332 V333 Q334V326-Y330 WeakPolarHBondContact O-CB 3.15Å; V326-Y330 PolarHBondContact O-N 3.35Å; Q327-Y330 PolarHBondContact O-N 2.76Å; Y330-Y332 VanDerWaalsContact C-N 3.33Å; Y330-Y332 PolarHBondContact O-N 3.47Å; Y330-V333 PolarHBondContact O-N 3.17Å; Y330-Q334 HydrophobicContact CD1-CG 3.92Å; Y330-Q334 HydrophobicContact CE1-CG 3.6Å; Y330-Q334 HydrophobicContact CE2-CG 4.38Å; Y330-Q334 HydrophobicContact CG-CG 4.44Å; Y330-Q334 WeakPolarHBondContact O-CB 3.28Å; Y330-Q334 VanDerWaalsContact O-CG 3.22Å; Y330-Q334 WeakPolarHBondContact O-CG 3.45Å; Y330-Q334 PolarHBondContact O-N 3.22Å; Y330-Q334 PolarHBondContact OH-NE2 2.68Å
331N77Confident69Low68 Ų6872 Ų7236%0.36442%0.423SS..Hα-helixtrans-60.6-42.1175.4-70.6-20000111.7Q327 A329 Q334 N335Q327-N331 PolarHBondContact NE2-OD1 3.49Å; Q327-N331 WeakPolarHBondContact O-CB 3.4Å; Q327-N331 PolarHBondContact O-N 2.94Å; Q327-N331 PolarHBondContact O-ND2 2.94Å; A329-N331 PolarHBondContact O-N 3.3Å; N331-Q334 PolarHBondContact O-N 2.9Å; N331-N335 VanDerWaalsContact O-CB 3.29Å; N331-N335 WeakPolarHBondContact O-CB 3.26Å; N331-N335 PolarHBondContact O-N 3.31Å; N331-N335 PolarHBondContact O-ND2 3.04Å
332Y74.4Confident67.7Low32 Ų3275.5 Ų75.513%0.12545%0.449CS..Hα-helixtrans-63.2-45.3177.5178.8-100.8000112.3F321 D328 A329 Y330 N335 S336 F358 R368 L372F321-Y332 HydrophobicContact CE1-CG 4.31Å; F321-Y332 AromaticContact CZ-CD1 3.82Å; F321-Y332 HydrophobicContact CZ-CD1 3.82Å; F321-Y332 AromaticContact CZ-CG 3.77Å; F321-Y332 HydrophobicContact CZ-CG 3.77Å; D328-Y332 VanDerWaalsContact O-CB 3.26Å; D328-Y332 WeakPolarHBondContact O-CB 3.33Å; D328-Y332 PolarHBondContact O-N 3.04Å; A329-Y332 PolarHBondContact O-N 2.65Å; Y330-Y332 VanDerWaalsContact C-N 3.33Å; Y330-Y332 PolarHBondContact O-N 3.47Å; Y332-N335 PolarHBondContact O-N 2.81Å; Y332-S336 WeakPolarHBondContact O-CB 3.45Å; Y332-S336 PolarHBondContact O-N 3.19Å; Y332-S336 PolarHBondContact O-OG 3.24Å; Y332-F358 HydrophobicContact CE2-CE1 4.32Å; Y332-F358 WeakPolarHBondContact OH-CE1 3.5Å; Y332-F358 WeakPolarHBondContact OH-CZ 3.18Å; Y332-R368 HydrophobicContact CE1-CB 3.99Å; Y332-R368 HydrophobicContact CE2-CB 4.23Å; Y332-R368 HydrophobicContact CE2-CG 4.46Å; Y332-L372 HydrophobicContact CE1-CD1 3.91Å; Y332-L372 HydrophobicContact CE1-CD2 4.42Å; Y332-L372 HydrophobicContact CE1-CG 4.15Å
333V74.5Confident66.5Low46 Ų4677.2 Ų77.228%0.27945%0.452SS..Hα-helixtrans-64.8-46.5176.81720000110.5A329 Y330 N335 S336 V337 F371 L372A329-V333 WeakPolarHBondContact O-CB 3.48Å; A329-V333 VanDerWaalsContact O-CG2 3.28Å; A329-V333 WeakPolarHBondContact O-CG2 3.2Å; A329-V333 PolarHBondContact O-N 2.94Å; Y330-V333 PolarHBondContact O-N 3.17Å; V333-N335 VanDerWaalsContact C-N 3.35Å; V333-N335 PolarHBondContact O-N 3.43Å; V333-S336 WeakPolarHBondContact O-CB 3.22Å; V333-S336 PolarHBondContact O-N 3.2Å; V333-S336 VanDerWaalsContact O-N 3.11Å; V333-V337 HydrophobicContact CG1-CG2 4.39Å; V333-V337 WeakPolarHBondContact O-CG2 3.31Å; V333-V337 PolarHBondContact O-N 3.02Å; V333-F371 HydrophobicContact CG2-CE1 4.35Å; V333-L372 HydrophobicContact CG2-CD2 3.9Å
334Q75.5Confident65.3Low88 Ų8878.3 Ų78.341%0.41146%0.459SS..Hα-helixtrans-59.1-44.9176.9-73.6-67.5-23.300111.8Y330 N331 S336 V337 A338Y330-Q334 HydrophobicContact CD1-CG 3.92Å; Y330-Q334 HydrophobicContact CE1-CG 3.6Å; Y330-Q334 HydrophobicContact CE2-CG 4.38Å; Y330-Q334 HydrophobicContact CG-CG 4.44Å; Y330-Q334 WeakPolarHBondContact O-CB 3.28Å; Y330-Q334 VanDerWaalsContact O-CG 3.22Å; Y330-Q334 WeakPolarHBondContact O-CG 3.45Å; Y330-Q334 PolarHBondContact O-N 3.22Å; Y330-Q334 PolarHBondContact OH-NE2 2.68Å; N331-Q334 PolarHBondContact O-N 2.9Å; Q334-S336 VanDerWaalsContact C-N 3.31Å; Q334-S336 PolarHBondContact O-N 3.37Å; Q334-V337 PolarHBondContact O-N 3.43Å; Q334-A338 WeakPolarHBondContact O-CB 3.36Å; Q334-A338 PolarHBondContact O-N 3.31Å
335N73.2Confident64Low107 Ų10781.1 Ų81.157%0.57247%0.471SS*.Hα-helixtrans-64.3-37.7175.6-71.8-17.7000111.7N331 Y332 V333 A338 V339N331-N335 VanDerWaalsContact O-CB 3.29Å; N331-N335 WeakPolarHBondContact O-CB 3.26Å; N331-N335 PolarHBondContact O-N 3.31Å; N331-N335 PolarHBondContact O-ND2 3.04Å; Y332-N335 PolarHBondContact O-N 2.81Å; V333-N335 VanDerWaalsContact C-N 3.35Å; V333-N335 PolarHBondContact O-N 3.43Å; N335-A338 PolarHBondContact O-N 3.39Å; N335-V339 VanDerWaalsContact O-CG2 3.25Å; N335-V339 WeakPolarHBondContact O-CG2 3.19Å; N335-V339 PolarHBondContact O-N 2.86Å
336S66.6Low62.6Low29 Ų2979.8 Ų79.820%0.20348%0.481CS..Hα-helixtrans-65.4-41.8176.9-56.60000111.6Y332 V333 Q334 A340Y332-S336 WeakPolarHBondContact O-CB 3.45Å; Y332-S336 PolarHBondContact O-N 3.19Å; Y332-S336 PolarHBondContact O-OG 3.24Å; V333-S336 WeakPolarHBondContact O-CB 3.22Å; V333-S336 PolarHBondContact O-N 3.2Å; V333-S336 VanDerWaalsContact O-N 3.11Å; Q334-S336 VanDerWaalsContact C-N 3.31Å; Q334-S336 PolarHBondContact O-N 3.37Å; S336-A340 WeakPolarHBondContact O-CB 3.38Å; S336-A340 PolarHBondContact O-N 3.5Å
337V65.9Low60.6Low90 Ų9081.3 Ų81.355%0.54550%0.495SS..Hα-helixtrans-68.7-40.4175.8174.30000111.1V333 Q334 A340 G341V333-V337 HydrophobicContact CG1-CG2 4.39Å; V333-V337 WeakPolarHBondContact O-CG2 3.31Å; V333-V337 PolarHBondContact O-N 3.02Å; Q334-V337 PolarHBondContact O-N 3.43Å; V337-A340 PolarHBondContact O-N 3.26Å; V337-G341 PolarHBondContact O-N 3.19Å
338A62.2Low58.5Low59 Ų5980.6 Ų80.649%0.48850%0.503SS..Hα-helixtrans-63.8-41.417700000112Q334 N335 G341 S342Q334-A338 WeakPolarHBondContact O-CB 3.36Å; Q334-A338 PolarHBondContact O-N 3.31Å; N335-A338 PolarHBondContact O-N 3.39Å; A338-G341 PolarHBondContact O-N 3.13Å; A338-S342 WeakPolarHBondContact O-CB 3.34Å; A338-S342 PolarHBondContact O-N 2.73Å; A338-S342 PolarHBondContact O-OG 3.43Å
339V57Low56.7Low94 Ų9484.4 Ų84.457%0.5752%0.522SS*.Hα-helixtrans-64.5-44.6174.8172.90000110.8N335 G341 S342N335-V339 VanDerWaalsContact O-CG2 3.25Å; N335-V339 WeakPolarHBondContact O-CG2 3.19Å; N335-V339 PolarHBondContact O-N 2.86Å; V339-G341 PolarHBondContact O-N 3.32Å; V339-S342 PolarHBondContact O-N 3.34Å; V339-S342 PolarHBondContact O-OG 2.9Å
340A54.4Low54.7Low70 Ų7090.4 Ų90.458%0.57956%0.558SS**Hα-helixtrans-64.1-38.1175.500000112.9S336 V337S336-A340 WeakPolarHBondContact O-CB 3.38Å; S336-A340 PolarHBondContact O-N 3.5Å; V337-A340 PolarHBondContact O-N 3.26Å
341G49.6Very low52.7Low40 Ų4090.6 Ų90.641%0.41257%0.568SS.*Hα-helixtrans-74.1-29.2178.500000113.7V337 A338 V339 L343 S344V337-G341 PolarHBondContact O-N 3.19Å; A338-G341 PolarHBondContact O-N 3.13Å; V339-G341 PolarHBondContact O-N 3.32Å; G341-L343 PolarHBondContact O-N 2.89Å; G341-S344 WeakPolarHBondContact O-CB 3.49Å; G341-S344 PolarHBondContact O-N 3.49Å; G341-S344 PolarHBondContact O-OG 3.37Å
342S49.6Very low50.9Low83 Ų8393 Ų9358%0.5859%0.585SS**Hα-helixtrans-72-12.3179.270.70000114.6A338 V339 S344A338-S342 WeakPolarHBondContact O-CB 3.34Å; A338-S342 PolarHBondContact O-N 2.73Å; A338-S342 PolarHBondContact O-OG 3.43Å; V339-S342 PolarHBondContact O-N 3.34Å; V339-S342 PolarHBondContact O-OG 2.9Å; S342-S344 VanDerWaalsContact C-N 3.32Å
343L44.8Very low49.1Very low138 Ų13895.8 Ų95.872%0.72361%0.607SS**THydrogen-bonded Turntrans-889.3175.2-96.880.4000114.1G341 S345G341-L343 PolarHBondContact O-N 2.89Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 2.82Å
344S40.7Very low47.4Very low105 Ų10598.7 Ų98.773%0.73463%0.625SS**THydrogen-bonded Turntrans-85.815.1-17259.10000116.2G341 S342G341-S344 WeakPolarHBondContact O-CB 3.49Å; G341-S344 PolarHBondContact O-N 3.49Å; G341-S344 PolarHBondContact O-OG 3.37Å; S342-S344 VanDerWaalsContact C-N 3.32Å
345S39.5Very low46Very low111 Ų11197.1 Ų97.178%0.77662%0.621SS**THydrogen-bonded Turntrans-96.15.7178.354.30000116L343L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 2.82Å
346S37.2Very low44.5Very low96 Ų9696.9 Ų96.967%0.67163%0.628SS**SBendtrans-135.7109.9175.1-69.80000112.6S348S346-S348 PolarHBondContact O-N 3.22Å
347S29.5Very low43.3Very low126 Ų126100.1 Ų100.188%0.88165%0.65SS**  trans-35.4100.1169.551.90000114.8
348S33.1Very low42.4Very low100 Ų100100.3 Ų100.370%0.69964%0.644SS**SBendtrans-170.9126.8144.445.20000108S346 V350S346-S348 PolarHBondContact O-N 3.22Å; S348-V350 PolarHBondContact O-N 3.11Å
349I36.5Very low41.5Very low155 Ų155103.7 Ų103.780%0.79565%0.654SS**  trans7.4103.7164.3-57.8165.5000113.3N351I349-N351 PolarHBondContact O-N 3.17Å
350V31.2Very low41.1Very low132 Ų132104.3 Ų104.380%0.865%0.652SS**  trans-68.682.5174.4-175.40000108.4S348 V352S348-V350 PolarHBondContact O-N 3.11Å; V350-V352 PolarHBondContact O-N 3.39Å
351N34.3Very low40.8Very low134 Ų134107.8 Ų107.872%0.71766%0.659SS**PPolyproline II helixtrans-62.9116.2146.3-84.7-9.2000105.3I349 P353I349-N351 PolarHBondContact O-N 3.17Å; N351-P353 VanDerWaalsContact O-CD 3.3Å; N351-P353 WeakPolarHBondContact O-CD 3.37Å
352V38.8Very low41.3Very low118 Ų118107.7 Ų107.772%0.71566%0.658SS**PPolyproline II helixtrans-46.7116.4159.9177.90000105.2V350 T354V350-V352 PolarHBondContact O-N 3.39Å; V352-T354 PolarHBondContact O-N 3Å
353P37Very low41.6Very low91 Ų91109.2 Ų109.259%0.59167%0.666SS**PPolyproline II helixtrans-56.5123.2-174.9-21.530.7000107.3N351 V355N351-P353 VanDerWaalsContact O-CD 3.3Å; N351-P353 WeakPolarHBondContact O-CD 3.37Å; P353-V355 PolarHBondContact O-N 3.25Å
354T39Very low42.9Very low107 Ų107106.5 Ų106.566%0.65665%0.653SS**  trans-44.5130.2160.641.50000107.2V352 S356V352-T354 PolarHBondContact O-N 3Å; T354-S356 PolarHBondContact O-N 3.33Å; T354-S356 PolarHBondContact O-OG 2.65Å
355V46.4Very low44.6Very low54 Ų54102.4 Ų102.433%0.32763%0.625SS.*G310 helixtrans-64.411.6-169.1-170.50000113.1P353 S357 F358 Y369P353-V355 PolarHBondContact O-N 3.25Å; V355-S357 PolarHBondContact O-N 2.97Å; V355-S357 VanDerWaalsContact O-N 3.1Å; V355-F358 HydrophobicContact CG1-CB 4.23Å; V355-F358 HydrophobicContact CG1-CD2 4.35Å; V355-F358 PolarHBondContact O-N 2.86Å; V355-Y369 HydrophobicContact CB-CE2 4.24Å; V355-Y369 HydrophobicContact CG1-CD2 3.8Å; V355-Y369 HydrophobicContact CG1-CE2 3.7Å; V355-Y369 HydrophobicContact CG2-CE2 4.42Å
356S41.9Very low46.7Very low103 Ų103101.8 Ų101.872%0.7261%0.612SS**G310 helixtrans-62.5-13.5175.555.90000114.2T354T354-S356 PolarHBondContact O-N 3.33Å; T354-S356 PolarHBondContact O-OG 2.65Å
357S40Very low48.9Very low97 Ų9798.2 Ų98.268%0.67859%0.589SS**G310 helixtrans-105.79.3179.6-56.20000114.8V355 N359V355-S357 PolarHBondContact O-N 2.97Å; V355-S357 VanDerWaalsContact O-N 3.1Å; S357-N359 VanDerWaalsContact C-N 3.32Å; S357-N359 PolarHBondContact O-N 3.29Å
358F47.4Very low51.4Low94 Ų9496.6 Ų96.641%0.41256%0.563SS.*  trans-72.894.9165.6-118.5-88.1000107.8Y332 V355 M360Y332-F358 HydrophobicContact CE2-CE1 4.32Å; Y332-F358 WeakPolarHBondContact OH-CE1 3.5Å; Y332-F358 WeakPolarHBondContact OH-CZ 3.18Å; V355-F358 HydrophobicContact CG1-CB 4.23Å; V355-F358 HydrophobicContact CG1-CD2 4.35Å; V355-F358 PolarHBondContact O-N 2.86Å; F358-M360 PolarHBondContact O-N 3.24Å
359N42.9Very low53.9Low130 Ų13093.9 Ų93.970%0.69554%0.538SS*.  trans-49.7104.7166.7-93.3-17.4000107.8S357 I361S357-N359 VanDerWaalsContact C-N 3.32Å; S357-N359 PolarHBondContact O-N 3.29Å; N359-I361 HydrophobicContact CB-CD1 3.87Å; N359-I361 HydrophobicContact CB-CG1 4Å; N359-I361 PolarHBondContact O-N 3.39Å
360M49.6Very low56.4Low107 Ų10788.9 Ų88.953%0.52751%0.511SS..  trans-6854.2176.8-76-84.7168.100110.2F358 A365F358-M360 PolarHBondContact O-N 3.24Å; M360-A365 HydrophobicContact CB-CB 4.48Å; M360-A365 HydrophobicContact SD-CB 3.81Å
361I46.8Very low59.1Low142 Ų14283 Ų8373%0.72848%0.475SS*.  trans-113.991.7-174.1-54.6176.9000106.9N359N359-I361 HydrophobicContact CB-CD1 3.87Å; N359-I361 HydrophobicContact CB-CG1 4Å; N359-I361 PolarHBondContact O-N 3.39Å
362G60Low61.7Low38 Ų3878.8 Ų78.839%0.39245%0.452SS..SBendtrans158.7143.4172.300000111.6N364 A365G362-N364 PolarHBondContact O-N 3.03Å; G362-N364 VanDerWaalsContact O-N 3.15Å; G362-A365 PolarHBondContact O-N 2.7Å
363P57.3Low64.2Low116 Ų11673.2 Ų73.275%0.75342%0.418SS*.THydrogen-bonded Turntrans-58.1123.6167.926-30.5000107.4
364N71.3Confident66.7Low81 Ų8168.9 Ų68.943%0.43339%0.39SS..THydrogen-bonded Turntrans88.210.5-177.4-46-25000117.9G362 L366 A367 R368G362-N364 PolarHBondContact O-N 3.03Å; G362-N364 VanDerWaalsContact O-N 3.15Å; N364-L366 PolarHBondContact O-N 3.12Å; N364-A367 HydrophobicContact CB-CB 4.33Å; N364-A367 PolarHBondContact O-N 3.25Å; N364-A367 VanDerWaalsContact O-N 3.16Å; N364-R368 WeakPolarHBondContact O-CG 3.43Å; N364-R368 PolarHBondContact O-N 3.19Å
365A75.8Confident69.1Low18 Ų1867.1 Ų67.115%0.14938%0.376CS..Hα-helixtrans-56-45.717800000113.5M360 G362 A367 R368 Y369M360-A365 HydrophobicContact CB-CB 4.48Å; M360-A365 HydrophobicContact SD-CB 3.81Å; G362-A365 PolarHBondContact O-N 2.7Å; A365-A367 PolarHBondContact O-N 3.18Å; A365-R368 PolarHBondContact O-N 2.88Å; A365-Y369 PolarHBondContact O-N 3.49Å
366L84.5Confident71.3Confident99 Ų9967.8 Ų67.852%0.51838%0.378SS..Hα-helixtrans-62.7-41.5176.2-177.464000112.3N364 R368 Y369 H370N364-L366 PolarHBondContact O-N 3.12Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.45Å; L366-Y369 HydrophobicContact CD1-CD1 4.31Å; L366-Y369 WeakPolarHBondContact O-CB 3.37Å; L366-Y369 PolarHBondContact O-N 3.02Å; L366-H370 PolarHBondContact O-N 3.23Å
367A84Confident73.8Confident21 Ų2162.9 Ų62.917%0.17434%0.344CS..Hα-helixtrans-66-36.4179.100000111.6N364 A365 H370 F371N364-A367 HydrophobicContact CB-CB 4.33Å; N364-A367 PolarHBondContact O-N 3.25Å; N364-A367 VanDerWaalsContact O-N 3.16Å; A365-A367 PolarHBondContact O-N 3.18Å; A367-H370 PolarHBondContact O-N 2.88Å; A367-F371 WeakPolarHBondContact O-CB 3.33Å; A367-F371 PolarHBondContact O-N 3.1Å
368R82.1Confident76.3Confident91 Ų9161.7 Ų61.734%0.34333%0.329SS..Hα-helixtrans-69.7-35.5173.2-69178.5178.8170.5-0.9112.8F321 Y332 N364 A365 L366 F371 L372F321-R368 HydrophobicContact CE1-CG 4.28Å; F321-R368 HydrophobicContact CE2-CG 4.32Å; F321-R368 HydrophobicContact CZ-CG 3.89Å; Y332-R368 HydrophobicContact CE1-CB 3.99Å; Y332-R368 HydrophobicContact CE2-CB 4.23Å; Y332-R368 HydrophobicContact CE2-CG 4.46Å; N364-R368 WeakPolarHBondContact O-CG 3.43Å; N364-R368 PolarHBondContact O-N 3.19Å; A365-R368 PolarHBondContact O-N 2.88Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.45Å; R368-F371 WeakPolarHBondContact O-CB 3.25Å; R368-F371 PolarHBondContact O-N 3.46Å; R368-L372 PolarHBondContact O-N 3.08Å
369Y85.3Confident78.5Confident44 Ų4462 Ų6217%0.17333%0.332CS..Hα-helixtrans-63.1-49.9171168.8-108000111.1V355 A365 L366 F371 L372 V373V355-Y369 HydrophobicContact CB-CE2 4.24Å; V355-Y369 HydrophobicContact CG1-CD2 3.8Å; V355-Y369 HydrophobicContact CG1-CE2 3.7Å; V355-Y369 HydrophobicContact CG2-CE2 4.42Å; A365-Y369 PolarHBondContact O-N 3.49Å; L366-Y369 HydrophobicContact CD1-CD1 4.31Å; L366-Y369 WeakPolarHBondContact O-CB 3.37Å; L366-Y369 PolarHBondContact O-N 3.02Å; Y369-F371 PolarHBondContact O-N 3.45Å; Y369-L372 PolarHBondContact O-N 3.43Å; Y369-V373 HydrophobicContact CD1-CG2 4.39Å; Y369-V373 HydrophobicContact CD2-CG2 4.28Å; Y369-V373 HydrophobicContact CE1-CG2 3.89Å; Y369-V373 HydrophobicContact CE2-CG2 3.79Å; Y369-V373 WeakPolarHBondContact O-CG2 3.35Å; Y369-V373 PolarHBondContact O-N 3.14Å
370H89.3Confident80.9Confident50 Ų5056.9 Ų56.923%0.23131%0.308CS..Hα-helixtrans-61-31.1176.4-72.2-179.6000113W267 I316 L366 A367 T374W267-H370 HydrophobicContact CH2-CB 4.29Å; W267-H370 AromaticContact CH2-CD2 3.7Å; W267-H370 AromaticContact CH2-CE1 3.85Å; W267-H370 AromaticContact CH2-CG 3.71Å; W267-H370 AromaticContact CH2-ND1 3.79Å; W267-H370 AromaticContact CH2-NE2 3.84Å; W267-H370 HydrophobicContact CZ2-CB 3.93Å; W267-H370 AromaticContact CZ2-CG 3.87Å; I316-H370 HydrophobicContact CG2-CB 3.72Å; L366-H370 PolarHBondContact O-N 3.23Å; A367-H370 PolarHBondContact O-N 2.88Å; H370-T374 WeakPolarHBondContact O-CB 3.39Å; H370-T374 PolarHBondContact O-N 2.83Å; H370-T374 PolarHBondContact O-OG1 2.93Å
371F88Confident83.1Confident7 Ų752.5 Ų52.53%0.03129%0.287CS..Hα-helixtrans-60.2-48.7170.7171.4-88.6000111.8I317 F321 W325 A329 V333 A367 R368 Y369 T374 L375I317-F371 HydrophobicContact CB-CD2 4.48Å; I317-F371 HydrophobicContact CG1-CD2 4.34Å; I317-F371 HydrophobicContact CG2-CD2 4.32Å; I317-F371 HydrophobicContact CG2-CE2 4.11Å; F321-F371 HydrophobicContact CD2-CD1 4.42Å; F321-F371 AromaticContact CD2-CD2 3.88Å; F321-F371 HydrophobicContact CD2-CD2 3.88Å; F321-F371 HydrophobicContact CD2-CE2 4.16Å; F321-F371 HydrophobicContact CD2-CG 4.04Å; F321-F371 HydrophobicContact CE2-CB 4.17Å; F321-F371 AromaticContact CE2-CD1 3.69Å; F321-F371 HydrophobicContact CE2-CD1 3.69Å; F321-F371 AromaticContact CE2-CD2 3.97Å; F321-F371 HydrophobicContact CE2-CD2 3.97Å; F321-F371 HydrophobicContact CE2-CE1 4.03Å; F321-F371 HydrophobicContact CE2-CE2 4.29Å; F321-F371 AromaticContact CE2-CG 3.66Å; F321-F371 HydrophobicContact CE2-CG 3.66Å; F321-F371 HydrophobicContact CE2-CZ 4.33Å; W325-F371 HydrophobicContact CE3-CE2 4.41Å; A329-F371 HydrophobicContact CB-CE1 3.8Å; A329-F371 HydrophobicContact CB-CE2 4.05Å; A329-F371 HydrophobicContact CB-CZ 3.45Å; A329-F371 VanDerWaalsContact CB-CZ 3.45Å; V333-F371 HydrophobicContact CG2-CE1 4.35Å; A367-F371 WeakPolarHBondContact O-CB 3.33Å; A367-F371 PolarHBondContact O-N 3.1Å; R368-F371 WeakPolarHBondContact O-CB 3.25Å; R368-F371 PolarHBondContact O-N 3.46Å; Y369-F371 PolarHBondContact O-N 3.45Å; F371-T374 WeakPolarHBondContact O-CB 3.28Å; F371-T374 PolarHBondContact O-N 3.05Å; F371-L375 HydrophobicContact CD1-CD1 4.21Å; F371-L375 HydrophobicContact CD1-CG 4.45Å; F371-L375 HydrophobicContact CE1-CD1 3.44Å; F371-L375 VanDerWaalsContact CE1-CD1 3.44Å; F371-L375 HydrophobicContact CE1-CG 3.99Å; F371-L375 HydrophobicContact CZ-CD1 3.73Å; F371-L375 HydrophobicContact CZ-CD2 4.17Å; F371-L375 HydrophobicContact CZ-CG 4.07Å; F371-L375 PolarHBondContact O-N 3.23Å
372L87.3Confident85.4Confident46 Ų4652.4 Ų52.424%0.24128%0.284CS..Hα-helixtrans-63.4-44.5178-66.5177.8000111.9Y332 V333 R368 Y369 T374 L375 N376Y332-L372 HydrophobicContact CE1-CD1 3.91Å; Y332-L372 HydrophobicContact CE1-CD2 4.42Å; Y332-L372 HydrophobicContact CE1-CG 4.15Å; V333-L372 HydrophobicContact CG2-CD2 3.9Å; R368-L372 PolarHBondContact O-N 3.08Å; Y369-L372 PolarHBondContact O-N 3.43Å; L372-T374 PolarHBondContact O-N 3.03Å; L372-L375 PolarHBondContact O-N 3.36Å; L372-L375 VanDerWaalsContact O-N 3.17Å; L372-N376 PolarHBondContact O-N 3.25Å; L372-N376 VanDerWaalsContact O-N 3.11Å
373V91.1Very high87Confident2 Ų256.7 Ų56.71%0.01229%0.292CS..Hα-helixtrans-57.1-41174.1173.50000110.7V260 N265 W267 Y369 N376 S377V260-V373 HydrophobicContact CB-CG1 4.45Å; V260-V373 HydrophobicContact CG1-CB 4.47Å; V260-V373 HydrophobicContact CG1-CG1 3.68Å; V260-V373 HydrophobicContact CG1-CG2 3.87Å; V260-V373 HydrophobicContact CG2-CG1 3.92Å; V260-V373 HydrophobicContact CG2-CG2 4.44Å; N265-V373 WeakPolarHBondContact O-CA 3.22Å; W267-V373 HydrophobicContact CD2-CG1 3.99Å; W267-V373 HydrophobicContact CG-CG1 4.07Å; W267-V373 HydrophobicContact CZ2-CG1 4.28Å; Y369-V373 HydrophobicContact CD1-CG2 4.39Å; Y369-V373 HydrophobicContact CD2-CG2 4.28Å; Y369-V373 HydrophobicContact CE1-CG2 3.89Å; Y369-V373 HydrophobicContact CE2-CG2 3.79Å; Y369-V373 WeakPolarHBondContact O-CG2 3.35Å; Y369-V373 PolarHBondContact O-N 3.14Å; V373-N376 PolarHBondContact O-N 3.45Å; V373-S377 VanDerWaalsContact O-CB 3.32Å; V373-S377 WeakPolarHBondContact O-CB 3.32Å; V373-S377 PolarHBondContact O-N 3.4Å; V373-S377 PolarHBondContact O-OG 3.33Å
374T91.2Very high88.9Confident0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-65.7-39.1178.5-64.10000112.2W267 L313 I316 I317 H370 F371 L372 S377 I378W267-T374 PolarHBondContact NE1-OG1 2.93Å; L313-T374 HydrophobicContact CB-CG2 4.05Å; L313-T374 HydrophobicContact CD2-CG2 3.79Å; L313-T374 HydrophobicContact CG-CG2 4.48Å; I316-T374 VanDerWaalsContact CG2-OG1 3.25Å; I316-T374 WeakPolarHBondContact CG2-OG1 3.46Å; I317-T374 HydrophobicContact CD1-CG2 3.87Å; I317-T374 HydrophobicContact CG1-CG2 3.64Å; H370-T374 WeakPolarHBondContact O-CB 3.39Å; H370-T374 PolarHBondContact O-N 2.83Å; H370-T374 PolarHBondContact O-OG1 2.93Å; F371-T374 WeakPolarHBondContact O-CB 3.28Å; F371-T374 PolarHBondContact O-N 3.05Å; L372-T374 PolarHBondContact O-N 3.03Å; T374-S377 PolarHBondContact O-N 3.16Å; T374-I378 HydrophobicContact CG2-CD1 4.23Å; T374-I378 WeakPolarHBondContact O-CG1 3.49Å; T374-I378 PolarHBondContact O-N 3.47Å
375L89.6Confident90Very high70 Ų7053.5 Ų53.537%0.36627%0.268SS..Hα-helixtrans-62.3-47.1174.2-66.8-174.5000111.9F371 L372 S377 I378 E379F371-L375 HydrophobicContact CD1-CD1 4.21Å; F371-L375 HydrophobicContact CD1-CG 4.45Å; F371-L375 HydrophobicContact CE1-CD1 3.44Å; F371-L375 VanDerWaalsContact CE1-CD1 3.44Å; F371-L375 HydrophobicContact CE1-CG 3.99Å; F371-L375 HydrophobicContact CZ-CD1 3.73Å; F371-L375 HydrophobicContact CZ-CD2 4.17Å; F371-L375 HydrophobicContact CZ-CG 4.07Å; F371-L375 PolarHBondContact O-N 3.23Å; L372-L375 PolarHBondContact O-N 3.36Å; L372-L375 VanDerWaalsContact O-N 3.17Å; L375-S377 VanDerWaalsContact C-N 3.25Å; L375-S377 PolarHBondContact O-N 3.32Å; L375-I378 PolarHBondContact O-N 3.41Å; L375-E379 PolarHBondContact O-N 3.39Å
376N92.2Very high91Very high68 Ų6857.7 Ų57.736%0.36429%0.287SS..Hα-helixtrans-59.9-39.8174.5-67.1-13.7000111.3N265 V266 L372 V373 I378 E379 A380N265-N376 WeakPolarHBondContact O-CB 3.46Å; N265-N376 PolarHBondContact O-ND2 3.44Å; V266-N376 HydrophobicContact CG2-CB 3.94Å; L372-N376 PolarHBondContact O-N 3.25Å; L372-N376 VanDerWaalsContact O-N 3.11Å; V373-N376 PolarHBondContact O-N 3.45Å; N376-I378 VanDerWaalsContact C-N 3.33Å; N376-I378 PolarHBondContact O-N 3.43Å; N376-E379 PolarHBondContact O-N 2.78Å; N376-A380 PolarHBondContact O-N 3.47Å
377S93.7Very high91.5Very high0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-67-32.3179.5-56.20000112.7V266 W267 V373 T374 L375 A380 S381V266-S377 WeakPolarHBondContact CA-OG 3.21Å; W267-S377 PolarHBondContact N-OG 3.28Å; V373-S377 VanDerWaalsContact O-CB 3.32Å; V373-S377 WeakPolarHBondContact O-CB 3.32Å; V373-S377 PolarHBondContact O-N 3.4Å; V373-S377 PolarHBondContact O-OG 3.33Å; T374-S377 PolarHBondContact O-N 3.16Å; L375-S377 VanDerWaalsContact C-N 3.25Å; L375-S377 PolarHBondContact O-N 3.32Å; S377-A380 PolarHBondContact O-N 3.43Å; S377-S381 WeakPolarHBondContact O-CB 3.41Å; S377-S381 PolarHBondContact O-N 2.95Å; S377-S381 PolarHBondContact O-OG 3.27Å
378I93.2Very high92.1Very high72 Ų7256.1 Ų56.137%0.36928%0.282SS..Hα-helixtrans-65.3-43.1172.8-71.4164.5000110.4L313 I317 T374 L375 N376 S381 Q382L313-I378 HydrophobicContact CD1-CG1 4.21Å; I317-I378 HydrophobicContact CD1-CD1 3.99Å; T374-I378 HydrophobicContact CG2-CD1 4.23Å; T374-I378 WeakPolarHBondContact O-CG1 3.49Å; T374-I378 PolarHBondContact O-N 3.47Å; L375-I378 PolarHBondContact O-N 3.41Å; N376-I378 VanDerWaalsContact C-N 3.33Å; N376-I378 PolarHBondContact O-N 3.43Å; I378-S381 WeakPolarHBondContact O-CB 3.43Å; I378-S381 PolarHBondContact O-N 2.84Å; I378-Q382 PolarHBondContact O-N 3.45Å
379E92.6Very high92.8Very high100 Ų10054.7 Ų54.747%0.46728%0.283SS..Hα-helixtrans-63.7-44175.6-167.2-168.2146.900111.5L375 N376 S381 Q382 K383L375-E379 PolarHBondContact O-N 3.39Å; N376-E379 PolarHBondContact O-N 2.78Å; E379-S381 VanDerWaalsContact C-N 3.3Å; E379-S381 PolarHBondContact O-N 3.33Å; E379-Q382 WeakPolarHBondContact O-CB 3.19Å; E379-Q382 PolarHBondContact O-N 2.9Å; E379-K383 PolarHBondContact O-N 2.86Å; E379-K383 VanDerWaalsContact O-N 3.15Å; E379-K383 VanDerWaalsContact OE1-CE 3.29Å; E379-K383 WeakPolarHBondContact OE1-CE 3.3Å; E379-K383 IonicContact OE1-NZ 3.99Å; E379-K383 PolarHBondContact OE1-NZ 2.79Å
380A93.8Very high93.3Very high23 Ų2356.7 Ų56.719%0.1930%0.297CS..Hα-helixtrans-59.5-41.8174.200000111.7V266 I270 N376 S377 Q382 K383 N384V266-A380 HydrophobicContact CG1-CB 4Å; V266-A380 HydrophobicContact CG2-CB 4.17Å; I270-A380 HydrophobicContact CG2-CB 4.46Å; N376-A380 PolarHBondContact O-N 3.47Å; S377-A380 PolarHBondContact O-N 3.43Å; A380-Q382 VanDerWaalsContact C-N 3.33Å; A380-Q382 PolarHBondContact O-N 3.34Å; A380-K383 PolarHBondContact O-N 3.11Å; A380-N384 PolarHBondContact O-N 3.5Å
381S95.4Very high93.5Very high14 Ų1456.6 Ų56.610%0.09830%0.297CS..Hα-helixtrans-61.1-40.9176.2-56.90000112.3I270 F274 M308 S377 I378 E379 K383 N384 L385I270-S381 WeakPolarHBondContact CD1-OG 3.4Å; F274-S381 VanDerWaalsContact CZ-O 3.26Å; F274-S381 WeakPolarHBondContact CZ-O 3.25Å; M308-S381 WeakPolarHBondContact CE-OG 3.22Å; S377-S381 WeakPolarHBondContact O-CB 3.41Å; S377-S381 PolarHBondContact O-N 2.95Å; S377-S381 PolarHBondContact O-OG 3.27Å; I378-S381 WeakPolarHBondContact O-CB 3.43Å; I378-S381 PolarHBondContact O-N 2.84Å; E379-S381 VanDerWaalsContact C-N 3.3Å; E379-S381 PolarHBondContact O-N 3.33Å; S381-K383 VanDerWaalsContact C-N 3.34Å; S381-K383 PolarHBondContact O-N 2.91Å; S381-N384 PolarHBondContact O-N 2.61Å; S381-L385 VanDerWaalsContact O-CB 3.24Å; S381-L385 WeakPolarHBondContact O-CB 3.1Å; S381-L385 PolarHBondContact O-N 3.3Å
382Q95.2Very high93.8Very high141 Ų14157.4 Ų57.466%0.65930%0.301SS*.Hα-helixtrans-62.9-41.5176.9-175-178.5-8.500111.5I378 E379 A380 L385 L386I378-Q382 PolarHBondContact O-N 3.45Å; E379-Q382 WeakPolarHBondContact O-CB 3.19Å; E379-Q382 PolarHBondContact O-N 2.9Å; A380-Q382 VanDerWaalsContact C-N 3.33Å; A380-Q382 PolarHBondContact O-N 3.34Å; Q382-L385 PolarHBondContact O-N 2.91Å; Q382-L386 WeakPolarHBondContact O-CB 3.31Å; Q382-L386 PolarHBondContact O-N 2.67Å
383K95Very high94.1Very high127 Ų12760.3 Ų60.355%0.55231%0.314SS*.Hα-helixtrans-64.7-46.2176.1-68.1173.3-173.5163.70111.6E379 A380 S381 L386 S387E379-K383 PolarHBondContact O-N 2.86Å; E379-K383 VanDerWaalsContact O-N 3.15Å; E379-K383 VanDerWaalsContact OE1-CE 3.29Å; E379-K383 WeakPolarHBondContact OE1-CE 3.3Å; E379-K383 IonicContact OE1-NZ 3.99Å; E379-K383 PolarHBondContact OE1-NZ 2.79Å; A380-K383 PolarHBondContact O-N 3.11Å; S381-K383 VanDerWaalsContact C-N 3.34Å; S381-K383 PolarHBondContact O-N 2.91Å; K383-L386 PolarHBondContact O-N 3.02Å; K383-S387 PolarHBondContact O-N 3.23Å
384N95.7Very high94.2Very high46 Ų4663.1 Ų63.125%0.24633%0.333CS..Hα-helixtrans-64.9-38.7177.8-78.9-10.2000112.1D271 F274 A380 S381 S387 L388D271-N384 PolarHBondContact OD1-ND2 2.96Å; F274-N384 HydrophobicContact CB-CB 4.17Å; F274-N384 HydrophobicContact CD1-CB 3.98Å; F274-N384 HydrophobicContact CD2-CB 3.48Å; F274-N384 VanDerWaalsContact CD2-CB 3.48Å; F274-N384 HydrophobicContact CE1-CB 4.25Å; F274-N384 HydrophobicContact CE2-CB 3.8Å; F274-N384 HydrophobicContact CG-CB 3.6Å; F274-N384 HydrophobicContact CZ-CB 4.17Å; A380-N384 PolarHBondContact O-N 3.5Å; S381-N384 PolarHBondContact O-N 2.61Å; N384-S387 PolarHBondContact O-N 3.34Å; N384-L388 WeakPolarHBondContact O-CB 3.44Å; N384-L388 PolarHBondContact O-N 3.23Å
385L95.6Very high94.2Very high85 Ų8566.2 Ų66.245%0.44535%0.348SS..Hα-helixtrans-63.4-44.9174.7-177.662.4000111.7F274 S381 Q382 S387 L388 V389F274-L385 HydrophobicContact CE1-CB 3.81Å; F274-L385 HydrophobicContact CE1-CD1 4.18Å; F274-L385 HydrophobicContact CZ-CB 4.11Å; S381-L385 VanDerWaalsContact O-CB 3.24Å; S381-L385 WeakPolarHBondContact O-CB 3.1Å; S381-L385 PolarHBondContact O-N 3.3Å; Q382-L385 PolarHBondContact O-N 2.91Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 2.97Å; L385-L388 WeakPolarHBondContact O-CB 3.24Å; L385-L388 PolarHBondContact O-N 3.26Å; L385-V389 WeakPolarHBondContact O-CG2 3.48Å; L385-V389 PolarHBondContact O-N 3.43Å
386L96.1Very high94.1Very high106 Ų10665.6 Ų65.656%0.55535%0.345SS*.Hα-helixtrans-62.1-42.9176.7-177.662.7000111.5Q382 K383 L388 V389 N390Q382-L386 WeakPolarHBondContact O-CB 3.31Å; Q382-L386 PolarHBondContact O-N 2.67Å; K383-L386 PolarHBondContact O-N 3.02Å; L386-L388 VanDerWaalsContact C-N 3.33Å; L386-L388 PolarHBondContact O-N 2.85Å; L386-V389 PolarHBondContact O-N 3.04Å; L386-N390 WeakPolarHBondContact O-CB 3.35Å; L386-N390 PolarHBondContact O-N 3.27Å; L386-N390 PolarHBondContact O-ND2 2.93Å
387S96.1Very high93.9Very high74 Ų7466.9 Ų66.952%0.51735%0.351SS..Hα-helixtrans-59.4-43.5174.5-176.20000112K383 N384 L385 H391K383-S387 PolarHBondContact O-N 3.23Å; N384-S387 PolarHBondContact O-N 3.34Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 2.97Å; S387-H391 WeakPolarHBondContact O-CB 3.29Å; S387-H391 PolarHBondContact O-N 2.9Å
388L96.1Very high93.5Very high13 Ų1370.7 Ų70.77%0.06837%0.371CS..Hα-helixtrans-61.8-48176.2175.559.1000111.9F274 T277 K278 L281 N384 L385 L386 H391 L392F274-L388 HydrophobicContact CD1-CD2 4.28Å; T277-L388 HydrophobicContact CG2-CD2 3.95Å; K278-L388 HydrophobicContact CB-CD1 3.73Å; K278-L388 HydrophobicContact CG-CD1 3.9Å; L281-L388 HydrophobicContact CD1-CD1 4.45Å; L281-L388 HydrophobicContact CD1-CD2 4.2Å; N384-L388 WeakPolarHBondContact O-CB 3.44Å; N384-L388 PolarHBondContact O-N 3.23Å; L385-L388 WeakPolarHBondContact O-CB 3.24Å; L385-L388 PolarHBondContact O-N 3.26Å; L386-L388 VanDerWaalsContact C-N 3.33Å; L386-L388 PolarHBondContact O-N 2.85Å; L388-H391 PolarHBondContact O-N 3.49Å; L388-L392 HydrophobicContact CD1-CD1 3.89Å; L388-L392 HydrophobicContact CD1-CG 4.04Å; L388-L392 HydrophobicContact CG-CD1 3.99Å; L388-L392 WeakPolarHBondContact O-CG 3.27Å; L388-L392 PolarHBondContact O-N 2.94Å
389V95.5Very high92.8Very high60 Ų6070.2 Ų70.236%0.36437%0.369SS..Hα-helixtrans-59.2-50.9178.71710000110.8L385 L386 H391 L392 E393L385-V389 WeakPolarHBondContact O-CG2 3.48Å; L385-V389 PolarHBondContact O-N 3.43Å; L386-V389 PolarHBondContact O-N 3.04Å; V389-H391 PolarHBondContact O-N 3.48Å; V389-L392 PolarHBondContact O-N 3.45Å; V389-L392 VanDerWaalsContact O-N 3.13Å; V389-E393 HydrophobicContact CG1-CG 4.43Å; V389-E393 WeakPolarHBondContact O-CG 3.49Å; V389-E393 PolarHBondContact O-N 2.63Å
390N96Very high92Very high86 Ų8671.6 Ų71.646%0.4637%0.371SS..Hα-helixtrans-57.8-38.9179-68.5-18.9000112.1L386 S394L386-N390 WeakPolarHBondContact O-CB 3.35Å; L386-N390 PolarHBondContact O-N 3.27Å; L386-N390 PolarHBondContact O-ND2 2.93Å; N390-S394 PolarHBondContact O-N 3.38Å; N390-S394 VanDerWaalsContact O-N 3.14Å
391H94.9Very high91.1Very high48 Ų4875.8 Ų75.822%0.22239%0.387CS..Hα-helixtrans-67.1-45.7177.1179.166.1000112.1K278 I282 S387 L388 V389 E393 S394 E395K278-H391 WeakPolarHBondContact CE-CD2 3.41Å; K278-H391 VanDerWaalsContact CE-NE2 3.3Å; K278-H391 WeakPolarHBondContact CE-NE2 3.37Å; I282-H391 WeakPolarHBondContact CD1-NE2 3.41Å; S387-H391 WeakPolarHBondContact O-CB 3.29Å; S387-H391 PolarHBondContact O-N 2.9Å; L388-H391 PolarHBondContact O-N 3.49Å; V389-H391 PolarHBondContact O-N 3.48Å; H391-E393 VanDerWaalsContact C-N 3.34Å; H391-E393 PolarHBondContact O-N 3.37Å; H391-S394 WeakPolarHBondContact O-CB 3.2Å; H391-S394 PolarHBondContact O-N 2.96Å; H391-E395 IonicContact CE1-OE1 3.33Å; H391-E395 WeakPolarHBondContact O-CG 3.35Å; H391-E395 PolarHBondContact O-N 2.9Å
392L93.8Very high89.7Confident25 Ų2579.4 Ų79.413%0.13141%0.405CS..Hα-helixtrans-64.4-38.3178.8-66.3170.2000112.1L281 L285 L388 V389 S394 E395 L396L281-L392 HydrophobicContact CB-CD1 4.3Å; L281-L392 HydrophobicContact CB-CD2 3.79Å; L281-L392 HydrophobicContact CD1-CD1 3.62Å; L285-L392 HydrophobicContact CD1-CD2 3.94Å; L388-L392 HydrophobicContact CD1-CD1 3.89Å; L388-L392 HydrophobicContact CD1-CG 4.04Å; L388-L392 HydrophobicContact CG-CD1 3.99Å; L388-L392 WeakPolarHBondContact O-CG 3.27Å; L388-L392 PolarHBondContact O-N 2.94Å; V389-L392 PolarHBondContact O-N 3.45Å; V389-L392 VanDerWaalsContact O-N 3.13Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-E395 PolarHBondContact O-N 3.16Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.38Å
393E93.2Very high88Confident107 Ų10776.4 Ų76.450%0.539%0.391SS..Hα-helixtrans-60.8-42.9173.2-73.3-179.8174.600111.6V389 H391 L396 N397V389-E393 HydrophobicContact CG1-CG 4.43Å; V389-E393 WeakPolarHBondContact O-CG 3.49Å; V389-E393 PolarHBondContact O-N 2.63Å; H391-E393 VanDerWaalsContact C-N 3.34Å; H391-E393 PolarHBondContact O-N 3.37Å; E393-L396 PolarHBondContact O-N 3.31Å; E393-N397 WeakPolarHBondContact O-CB 3.48Å; E393-N397 PolarHBondContact O-N 3.34Å; E393-N397 PolarHBondContact O-ND2 3.25Å
394S93.2Very high85.8Confident61 Ų6177.6 Ų77.643%0.42740%0.398SS..Hα-helixtrans-59.9-47.3175.2-174.90000112N390 H391 L392 N397 L398N390-S394 PolarHBondContact O-N 3.38Å; N390-S394 VanDerWaalsContact O-N 3.14Å; H391-S394 WeakPolarHBondContact O-CB 3.2Å; H391-S394 PolarHBondContact O-N 2.96Å; L392-S394 VanDerWaalsContact C-N 3.33Å; S394-N397 PolarHBondContact O-N 2.87Å; S394-L398 WeakPolarHBondContact O-CG 3.4Å; S394-L398 PolarHBondContact O-N 2.75Å; S394-L398 VanDerWaalsContact O-N 3.16Å
395E90.7Very high83.4Confident65 Ų6581.7 Ų81.730%0.30442%0.419SS..Hα-helixtrans-65.3-41.6179.1-66.5-62.4137.500112.2L285 H391 L392 N397 L398 L399L285-E395 HydrophobicContact CD1-CB 3.65Å; L285-E395 HydrophobicContact CD1-CG 4.31Å; H391-E395 IonicContact CE1-OE1 3.33Å; H391-E395 WeakPolarHBondContact O-CG 3.35Å; H391-E395 PolarHBondContact O-N 2.9Å; L392-E395 PolarHBondContact O-N 3.16Å; E395-N397 VanDerWaalsContact C-N 3.34Å; E395-N397 PolarHBondContact O-N 3.04Å; E395-L398 WeakPolarHBondContact O-CB 3.39Å; E395-L398 PolarHBondContact O-N 2.9Å; E395-L399 PolarHBondContact O-N 3.39Å
396L88.5Confident80.9Confident57 Ų5781.6 Ų81.630%0.29842%0.419SS..Hα-helixtrans-61.2-42.7175.6-77.8168.1000111.7L285 L392 E393 L398 L399 Y400L285-L396 HydrophobicContact CD2-CD2 3.5Å; L285-L396 HydrophobicContact CD2-CG 3.9Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.38Å; E393-L396 PolarHBondContact O-N 3.31Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L398 PolarHBondContact O-N 3.25Å; L396-L399 WeakPolarHBondContact O-CB 3.42Å; L396-L399 PolarHBondContact O-N 3.41Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L396-Y400 WeakPolarHBondContact O-CD2 3.25Å; L396-Y400 PolarHBondContact O-N 3.48Å
397N88Confident78Confident94 Ų9482.9 Ų82.950%0.50344%0.437SS..Hα-helixtrans-61.3-39.2176.8-73.8-34.2000112.1E393 S394 E395 L399 Y400 Q401E393-N397 WeakPolarHBondContact O-CB 3.48Å; E393-N397 PolarHBondContact O-N 3.34Å; E393-N397 PolarHBondContact O-ND2 3.25Å; S394-N397 PolarHBondContact O-N 2.87Å; E395-N397 VanDerWaalsContact C-N 3.34Å; E395-N397 PolarHBondContact O-N 3.04Å; N397-L399 VanDerWaalsContact C-N 3.35Å; N397-Y400 PolarHBondContact O-N 3.02Å; N397-Q401 WeakPolarHBondContact O-CG 3.4Å; N397-Q401 PolarHBondContact O-N 2.97Å
398L85.7Confident77.1Confident80 Ų8083.3 Ų83.342%0.41943%0.432SS..Hα-helixtrans-63.5-40.5174.1-69172.9000111.7S394 E395 L396 N402S394-L398 WeakPolarHBondContact O-CG 3.4Å; S394-L398 PolarHBondContact O-N 2.75Å; S394-L398 VanDerWaalsContact O-N 3.16Å; E395-L398 WeakPolarHBondContact O-CB 3.39Å; E395-L398 PolarHBondContact O-N 2.9Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L398 PolarHBondContact O-N 3.25Å; L398-N402 WeakPolarHBondContact O-CB 3.33Å; L398-N402 VanDerWaalsContact O-CG 3.24Å; L398-N402 PolarHBondContact O-N 3.15Å; L398-N402 PolarHBondContact O-ND2 3.15Å
399L78.3Confident76.1Confident62 Ų6287 Ų8733%0.32545%0.452SS..Hα-helixtrans-63.4-42.6175.8-69.3175.6000112.2L285 E395 L396 N397 N402 Q403L285-L399 HydrophobicContact CB-CD1 4.19Å; L285-L399 HydrophobicContact CD2-CD1 4.14Å; E395-L399 PolarHBondContact O-N 3.39Å; L396-L399 WeakPolarHBondContact O-CB 3.42Å; L396-L399 PolarHBondContact O-N 3.41Å; L396-L399 VanDerWaalsContact O-N 3.14Å; N397-L399 VanDerWaalsContact C-N 3.35Å; L399-N402 PolarHBondContact O-N 3.19Å; L399-Q403 WeakPolarHBondContact O-CG 3.41Å; L399-Q403 PolarHBondContact O-N 3.34Å; L399-Q403 VanDerWaalsContact O-N 3.09Å
400Y76Confident75.1Confident130 Ų13088.5 Ų88.551%0.5146%0.457SS..Hα-helixtrans-63.7-45.9176.5-81.5-68.4000112.4L396 N397 N402 Q403 E404L396-Y400 WeakPolarHBondContact O-CD2 3.25Å; L396-Y400 PolarHBondContact O-N 3.48Å; N397-Y400 PolarHBondContact O-N 3.02Å; Y400-N402 VanDerWaalsContact C-N 3.27Å; Y400-N402 PolarHBondContact O-N 3.36Å; Y400-Q403 WeakPolarHBondContact O-CA 3.47Å; Y400-Q403 WeakPolarHBondContact O-CB 3.3Å; Y400-Q403 PolarHBondContact O-N 3.31Å; Y400-E404 PolarHBondContact O-N 3.06Å
401Q74.7Confident73.8Confident111 Ų11188.6 Ų88.652%0.51946%0.456SS..Hα-helixtrans-60-39.7177-72.1175.12.300111.6N397 Q403 E404 I405N397-Q401 WeakPolarHBondContact O-CG 3.4Å; N397-Q401 PolarHBondContact O-N 2.97Å; Q401-Q403 VanDerWaalsContact C-N 3.26Å; Q401-Q403 PolarHBondContact O-N 3.48Å; Q401-E404 PolarHBondContact O-N 3.32Å; Q401-I405 WeakPolarHBondContact O-CD1 3.11Å; Q401-I405 VanDerWaalsContact O-CG1 3.26Å; Q401-I405 WeakPolarHBondContact O-CG1 3.41Å; Q401-I405 PolarHBondContact O-N 2.76Å
402N65.1Low72.5Confident89 Ų8991.2 Ų91.248%0.47647%0.471SS..Hα-helixtrans-68.4-23.5175.2-72.6-33.6000113.2L398 L399 Y400 N406L398-N402 WeakPolarHBondContact O-CB 3.33Å; L398-N402 VanDerWaalsContact O-CG 3.24Å; L398-N402 PolarHBondContact O-N 3.15Å; L398-N402 PolarHBondContact O-ND2 3.15Å; L399-N402 PolarHBondContact O-N 3.19Å; Y400-N402 VanDerWaalsContact C-N 3.27Å; Y400-N402 PolarHBondContact O-N 3.36Å; N402-N406 PolarHBondContact O-ND2 3.29Å
403Q60.9Low71.1Confident78 Ų7895.6 Ų95.636%0.36449%0.494SS..Hα-helixtrans-76.9-42.2172.4-73.1-177.9-8.200111.4L399 Y400 Q401 N406 S407L399-Q403 WeakPolarHBondContact O-CG 3.41Å; L399-Q403 PolarHBondContact O-N 3.34Å; L399-Q403 VanDerWaalsContact O-N 3.09Å; Y400-Q403 WeakPolarHBondContact O-CA 3.47Å; Y400-Q403 WeakPolarHBondContact O-CB 3.3Å; Y400-Q403 PolarHBondContact O-N 3.31Å; Q401-Q403 VanDerWaalsContact C-N 3.26Å; Q401-Q403 PolarHBondContact O-N 3.48Å; Q403-N406 CarbonylContact O-C 3.51Å; Q403-N406 PolarHBondContact O-N 3.26Å; Q403-S407 PolarHBondContact O-N 3.1Å; Q403-S407 VanDerWaalsContact O-N 3.13Å; Q403-S407 PolarHBondContact O-OG 2.82Å
404E47.8Very low69.5Low152 Ų15294.8 Ų94.871%0.7149%0.493SS*.Hα-helixtrans-67.5-39179.1-70.4-17216400113.2Y400 Q401 N406 S407Y400-E404 PolarHBondContact O-N 3.06Å; Q401-E404 PolarHBondContact O-N 3.32Å; E404-N406 PolarHBondContact O-N 2.72Å; E404-N406 VanDerWaalsContact O-N 3.15Å; E404-S407 PolarHBondContact O-N 2.74Å
405I45.7Very low67.7Low132 Ų13297.4 Ų97.468%0.67750%0.498SS*.THydrogen-bonded Turntrans-66.4-17.1177.3-64.4165.3000111.8Q401Q401-I405 WeakPolarHBondContact O-CD1 3.11Å; Q401-I405 VanDerWaalsContact O-CG1 3.26Å; Q401-I405 WeakPolarHBondContact O-CG1 3.41Å; Q401-I405 PolarHBondContact O-N 2.76Å
406N42.2Very low65.8Low83 Ų83100.1 Ų100.144%0.44452%0.515SS..THydrogen-bonded Turntrans-115.510.7-178.4-67.6-54.6000114.1R196 N402 Q403 E404R196-N406 VanDerWaalsContact CD-O 3.28Å; R196-N406 WeakPolarHBondContact CD-O 3.47Å; R196-N406 PolarHBondContact NE-O 2.95Å; R196-N406 VanDerWaalsContact NH2-CB 3.27Å; N402-N406 PolarHBondContact O-ND2 3.29Å; Q403-N406 CarbonylContact O-C 3.51Å; Q403-N406 PolarHBondContact O-N 3.26Å; E404-N406 PolarHBondContact O-N 2.72Å; E404-N406 VanDerWaalsContact O-N 3.15Å
407S36.5Very low63.7Low133 Ų133104 Ų10493%0.9353%0.534SS*.  trans-98.20174.8-58.50000110.9Q403 E404Q403-S407 PolarHBondContact O-N 3.1Å; Q403-S407 VanDerWaalsContact O-N 3.13Å; Q403-S407 PolarHBondContact O-OG 2.82Å; E404-S407 PolarHBondContact O-N 2.74Å

Retrieved 407 of 407 residues in 135.2 ms (Link to these results)

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