A0A5K4F461_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F461, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 87 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
1M50.9Low60.6Low184 Ų18475.5 Ų75.591%0.90636%0.36SS*.  0-66.20-68.2-63.2-146.400113.1Q3 L4 T5M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 2.89Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-N 2.74Å
2R53.4Low60.9Low206 Ų20669.5 Ų69.578%0.77733%0.331SS*.Hα-helixtrans-58-36-174.9-75.8-176.3176176.6-1.6116.1L4 S6R2-L4 VanDerWaalsContact C-N 3.32Å; R2-L4 PolarHBondContact O-N 2.98Å; R2-S6 PolarHBondContact O-N 2.87Å; R2-S6 PolarHBondContact O-OG 3.06Å
3Q60.1Low61.1Low137 Ų13766.8 Ų66.864%0.6432%0.324SS*.Hα-helixtrans-67.8-33.2178.6-168.2171.5-1.900112.4M1 S6 Q7M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 2.89Å; Q3-S6 PolarHBondContact O-N 2.71Å; Q3-Q7 PolarHBondContact O-N 3.24Å
4L55.1Low61.3Low41 Ų4174.9 Ų74.922%0.21535%0.349CS..Hα-helixtrans-66.4-51.8-179-17968.6000111.2M1 R2 S6 Q7 L8 L30 F59M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-L4 VanDerWaalsContact O-N 3.09Å; R2-L4 VanDerWaalsContact C-N 3.32Å; R2-L4 PolarHBondContact O-N 2.98Å; L4-S6 VanDerWaalsContact C-N 3.26Å; L4-S6 PolarHBondContact O-N 3.29Å; L4-Q7 PolarHBondContact O-N 3.12Å; L4-L8 WeakPolarHBondContact O-CB 3.19Å; L4-L8 PolarHBondContact O-N 3.43Å; L4-L30 HydrophobicContact CD2-CD1 3.82Å; L4-L30 HydrophobicContact CD2-CD2 3.98Å; L4-L30 HydrophobicContact CG-CD1 4.1Å; L4-F59 HydrophobicContact CD1-CB 3.95Å; L4-F59 HydrophobicContact CD1-CD1 3.63Å; L4-F59 HydrophobicContact CD1-CD2 4.33Å; L4-F59 HydrophobicContact CD1-CE1 4.05Å; L4-F59 HydrophobicContact CD1-CG 3.79Å
5T59Low61.2Low11 Ų1172.8 Ų72.87%0.06734%0.339CS..Hα-helixtrans-57.5-43.5176.1-500000111.2M1 F9 P27 P28 V33M1-T5 PolarHBondContact O-N 2.74Å; T5-F9 WeakPolarHBondContact O-CB 3.32Å; T5-F9 PolarHBondContact O-N 3.35Å; T5-P27 HydrophobicContact CG2-CB 4.04Å; T5-P28 HydrophobicContact CG2-CG 4.16Å; T5-P28 WeakPolarHBondContact CG2-O 3.31Å; T5-V33 HydrophobicContact CG2-CG2 3.66Å
6S63.3Low60.9Low53 Ų5376.8 Ų76.837%0.37135%0.351SS..Hα-helixtrans-64.9-43.4-177.7-55.70000111.5R2 Q3 L4 L10R2-S6 PolarHBondContact O-N 2.87Å; R2-S6 PolarHBondContact O-OG 3.06Å; Q3-S6 PolarHBondContact O-N 2.71Å; L4-S6 VanDerWaalsContact C-N 3.26Å; L4-S6 PolarHBondContact O-N 3.29Å; S6-L10 WeakPolarHBondContact O-CB 3.42Å; S6-L10 WeakPolarHBondContact O-CG 3.29Å; S6-L10 PolarHBondContact O-N 3.27Å
7Q64Low60.5Low49 Ų4978.6 Ų78.623%0.22936%0.363CS..Hα-helixtrans-70.2-43.8178.7-76-162.9-20.900112.8Q3 L4 F9 L10 F11Q3-Q7 PolarHBondContact O-N 3.24Å; L4-Q7 PolarHBondContact O-N 3.12Å; Q7-F9 VanDerWaalsContact C-N 3.35Å; Q7-L10 PolarHBondContact O-N 3.01Å; Q7-F11 WeakPolarHBondContact O-CB 3.25Å; Q7-F11 PolarHBondContact O-N 3.12Å
8L64.7Low59.6Low3 Ų380.1 Ų80.12%0.01638%0.381CS..Hα-helixtrans-67.2-39178.6-171.765.6000110.9L4 F11 I12 V33 L34 L56L4-L8 WeakPolarHBondContact O-CB 3.19Å; L4-L8 PolarHBondContact O-N 3.43Å; L8-F11 WeakPolarHBondContact O-CB 3.39Å; L8-F11 PolarHBondContact O-N 3.17Å; L8-I12 HydrophobicContact CG-CD1 4.3Å; L8-I12 VanDerWaalsContact O-CG1 3.23Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 2.86Å; L8-V33 HydrophobicContact CB-CG1 3.75Å; L8-V33 HydrophobicContact CD2-CB 4.33Å; L8-V33 HydrophobicContact CD2-CG1 3.46Å; L8-V33 VanDerWaalsContact CD2-CG1 3.46Å; L8-V33 HydrophobicContact CG-CG1 3.46Å; L8-V33 VanDerWaalsContact CG-CG1 3.46Å; L8-L34 HydrophobicContact CD2-CD2 4Å; L8-L56 HydrophobicContact CD1-CD2 4.06Å; L8-L56 HydrophobicContact CD2-CD2 3.87Å
9F64.6Low59Low30 Ų3080.3 Ų80.313%0.13238%0.383CS..Hα-helixtrans-62.9-45.3172.7-174.4-84.9000112.3T5 Q7 F11 I12 S13 I19 I24 P28 V33T5-F9 WeakPolarHBondContact O-CB 3.32Å; T5-F9 PolarHBondContact O-N 3.35Å; Q7-F9 VanDerWaalsContact C-N 3.35Å; F9-F11 VanDerWaalsContact C-N 3.29Å; F9-F11 PolarHBondContact O-N 2.86Å; F9-I12 PolarHBondContact O-N 3.44Å; F9-S13 VanDerWaalsContact CD1-OG 3.31Å; F9-S13 WeakPolarHBondContact CD1-OG 3.34Å; F9-S13 WeakPolarHBondContact CE1-OG 3.27Å; F9-S13 VanDerWaalsContact O-CB 3.27Å; F9-S13 WeakPolarHBondContact O-CB 3.44Å; F9-S13 PolarHBondContact O-N 3.19Å; F9-S13 PolarHBondContact O-OG 3.2Å; F9-I19 HydrophobicContact CZ-CD1 4.21Å; F9-I24 HydrophobicContact CD1-CD1 3.28Å; F9-I24 HydrophobicContact CD1-CG1 4.38Å; F9-I24 HydrophobicContact CE1-CD1 3.01Å; F9-I24 HydrophobicContact CE1-CG1 3.77Å; F9-I24 HydrophobicContact CG-CD1 4.27Å; F9-I24 HydrophobicContact CZ-CD1 3.78Å; F9-I24 HydrophobicContact CZ-CG1 4.06Å; F9-P28 HydrophobicContact CB-CG 4.4Å; F9-P28 HydrophobicContact CD2-CG 3.32Å; F9-P28 HydrophobicContact CE2-CG 3.79Å; F9-P28 HydrophobicContact CG-CG 4.05Å; F9-V33 HydrophobicContact CB-CG2 4.48Å; F9-V33 HydrophobicContact CD2-CG2 4.44Å
10L65.6Low58.2Low106 Ų10685.6 Ų85.656%0.55541%0.405SS*.Hα-helixtrans-59.3-42.9175.2-79.3170000111.1S6 Q7 S13 R14S6-L10 WeakPolarHBondContact O-CB 3.42Å; S6-L10 WeakPolarHBondContact O-CG 3.29Å; S6-L10 PolarHBondContact O-N 3.27Å; Q7-L10 PolarHBondContact O-N 3.01Å; L10-S13 PolarHBondContact O-N 3.04Å; L10-R14 WeakPolarHBondContact O-CG 3.37Å; L10-R14 PolarHBondContact O-N 2.69Å; L10-R14 VanDerWaalsContact O-N 3.12Å
11F66.2Low57.6Low11 Ų1186.4 Ų86.45%0.04843%0.426CS..Hα-helixtrans-59.9-53.4176.1178.7-98.4000111.1Q7 L8 F9 S13 R14 F15 V52 I55 Q74 V77 L78Q7-F11 WeakPolarHBondContact O-CB 3.25Å; Q7-F11 PolarHBondContact O-N 3.12Å; L8-F11 WeakPolarHBondContact O-CB 3.39Å; L8-F11 PolarHBondContact O-N 3.17Å; F9-F11 VanDerWaalsContact C-N 3.29Å; F9-F11 PolarHBondContact O-N 2.86Å; F11-S13 VanDerWaalsContact C-N 3.31Å; F11-S13 PolarHBondContact O-N 2.85Å; F11-R14 WeakPolarHBondContact O-CB 3.33Å; F11-R14 PolarHBondContact O-N 2.89Å; F11-F15 HydrophobicContact CD1-CD2 4.16Å; F11-F15 HydrophobicContact CD1-CE2 4.24Å; F11-F15 HydrophobicContact CD2-CD2 4.37Å; F11-F15 AromaticContact CD2-CE2 3.82Å; F11-F15 HydrophobicContact CD2-CE2 3.82Å; F11-F15 AromaticContact CE1-CD2 3.82Å; F11-F15 HydrophobicContact CE1-CD2 3.82Å; F11-F15 AromaticContact CE1-CE2 3.68Å; F11-F15 HydrophobicContact CE1-CE2 3.68Å; F11-F15 HydrophobicContact CE2-CD2 4.09Å; F11-F15 AromaticContact CE2-CE2 3.23Å; F11-F15 HydrophobicContact CE2-CE2 3.23Å; F11-F15 HydrophobicContact CE2-CZ 4.01Å; F11-F15 HydrophobicContact CG-CD2 4.43Å; F11-F15 HydrophobicContact CG-CE2 4.3Å; F11-F15 AromaticContact CZ-CD2 3.8Å; F11-F15 HydrophobicContact CZ-CD2 3.8Å; F11-F15 AromaticContact CZ-CE2 3.15Å; F11-F15 HydrophobicContact CZ-CE2 3.15Å; F11-F15 AromaticContact CZ-CZ 3.82Å; F11-F15 HydrophobicContact CZ-CZ 3.82Å; F11-F15 WeakPolarHBondContact O-CD2 3.24Å; F11-F15 PolarHBondContact O-N 3.16Å; F11-V52 HydrophobicContact CE1-CG1 4.41Å; F11-V52 HydrophobicContact CE1-CG2 3.49Å; F11-V52 VanDerWaalsContact CE1-CG2 3.49Å; F11-V52 HydrophobicContact CZ-CG2 3.63Å; F11-I55 HydrophobicContact CZ-CD1 4.35Å; F11-Q74 HydrophobicContact CD2-CB 3.57Å; F11-Q74 HydrophobicContact CD2-CG 3.41Å; F11-Q74 VanDerWaalsContact CD2-CG 3.41Å; F11-Q74 HydrophobicContact CE2-CB 3.61Å; F11-Q74 HydrophobicContact CE2-CG 3.56Å; F11-Q74 HydrophobicContact CG-CG 4.07Å; F11-Q74 HydrophobicContact CZ-CG 4.36Å; F11-V77 HydrophobicContact CZ-CB 4.49Å; F11-L78 HydrophobicContact CD2-CD1 4.04Å; F11-L78 HydrophobicContact CD2-CG 4.24Å; F11-L78 HydrophobicContact CE2-CD1 4.37Å; F11-L78 HydrophobicContact CE2-CG 4.12Å
12I63.9Low57.6Low3 Ų385.4 Ų85.42%0.01542%0.419CS..Hα-helixtrans-59.5-43178.3-64.3165.4000111.6L8 F9 R14 F15 Y16 V33 L36 T37 V40L8-I12 HydrophobicContact CG-CD1 4.3Å; L8-I12 VanDerWaalsContact O-CG1 3.23Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 2.86Å; F9-I12 PolarHBondContact O-N 3.44Å; I12-R14 PolarHBondContact O-N 3.44Å; I12-R14 VanDerWaalsContact O-N 3.17Å; I12-F15 PolarHBondContact O-N 2.92Å; I12-Y16 WeakPolarHBondContact O-CB 3.47Å; I12-Y16 PolarHBondContact O-N 3.49Å; I12-V33 HydrophobicContact CD1-CG1 3.52Å; I12-V33 VanDerWaalsContact CD1-O 3.3Å; I12-V33 WeakPolarHBondContact CD1-O 3.13Å; I12-L36 HydrophobicContact CD1-CB 4.32Å; I12-L36 HydrophobicContact CD1-CD2 4.21Å; I12-L36 HydrophobicContact CD1-CG 4.34Å; I12-L36 HydrophobicContact CG2-CD2 3.54Å; I12-L36 HydrophobicContact CG2-CG 3.82Å; I12-T37 WeakPolarHBondContact CD1-OG1 3.2Å; I12-V40 HydrophobicContact CG2-CG2 4.05Å
13S63.9Low57.5Low35 Ų3580.9 Ų80.925%0.24542%0.417CS..Hα-helixtrans-60.3-26.7178.3-610000112.6F9 L10 F11 Y16F9-S13 VanDerWaalsContact CD1-OG 3.31Å; F9-S13 WeakPolarHBondContact CD1-OG 3.34Å; F9-S13 WeakPolarHBondContact CE1-OG 3.27Å; F9-S13 VanDerWaalsContact O-CB 3.27Å; F9-S13 WeakPolarHBondContact O-CB 3.44Å; F9-S13 PolarHBondContact O-N 3.19Å; F9-S13 PolarHBondContact O-OG 3.2Å; L10-S13 PolarHBondContact O-N 3.04Å; F11-S13 VanDerWaalsContact C-N 3.31Å; F11-S13 PolarHBondContact O-N 2.85Å; S13-Y16 CarbonylContact O-C 3.22Å
14R63.3Low57.1Low179 Ų17978.6 Ų78.668%0.67541%0.408SS*.Hα-helixtrans-79.8-29.4175.4-68.1-77.5-174.1157.52.4112.9L10 F11 I12 L78L10-R14 WeakPolarHBondContact O-CG 3.37Å; L10-R14 PolarHBondContact O-N 2.69Å; L10-R14 VanDerWaalsContact O-N 3.12Å; F11-R14 WeakPolarHBondContact O-CB 3.33Å; F11-R14 PolarHBondContact O-N 2.89Å; I12-R14 PolarHBondContact O-N 3.44Å; I12-R14 VanDerWaalsContact O-N 3.17Å; R14-L78 HydrophobicContact CB-CD1 4.44Å; R14-L78 HydrophobicContact CB-CD2 3.51Å; R14-L78 HydrophobicContact CG-CD2 4.44Å
15F59.7Low56.9Low44 Ų4482.9 Ų82.919%0.19344%0.436CS..Hα-helixtrans-79.2-27.4170.7-77.1-87.4000112.6F11 I12 V40 T48 V77 L78 T81F11-F15 HydrophobicContact CD1-CD2 4.16Å; F11-F15 HydrophobicContact CD1-CE2 4.24Å; F11-F15 HydrophobicContact CD2-CD2 4.37Å; F11-F15 AromaticContact CD2-CE2 3.82Å; F11-F15 HydrophobicContact CD2-CE2 3.82Å; F11-F15 AromaticContact CE1-CD2 3.82Å; F11-F15 HydrophobicContact CE1-CD2 3.82Å; F11-F15 AromaticContact CE1-CE2 3.68Å; F11-F15 HydrophobicContact CE1-CE2 3.68Å; F11-F15 HydrophobicContact CE2-CD2 4.09Å; F11-F15 AromaticContact CE2-CE2 3.23Å; F11-F15 HydrophobicContact CE2-CE2 3.23Å; F11-F15 HydrophobicContact CE2-CZ 4.01Å; F11-F15 HydrophobicContact CG-CD2 4.43Å; F11-F15 HydrophobicContact CG-CE2 4.3Å; F11-F15 AromaticContact CZ-CD2 3.8Å; F11-F15 HydrophobicContact CZ-CD2 3.8Å; F11-F15 AromaticContact CZ-CE2 3.15Å; F11-F15 HydrophobicContact CZ-CE2 3.15Å; F11-F15 AromaticContact CZ-CZ 3.82Å; F11-F15 HydrophobicContact CZ-CZ 3.82Å; F11-F15 WeakPolarHBondContact O-CD2 3.24Å; F11-F15 PolarHBondContact O-N 3.16Å; I12-F15 PolarHBondContact O-N 2.92Å; F15-V40 HydrophobicContact CB-CG1 4.19Å; F15-T48 HydrophobicContact CE1-CG2 4.31Å; F15-V77 HydrophobicContact CE1-CG1 3.58Å; F15-V77 HydrophobicContact CE2-CG1 4.26Å; F15-V77 HydrophobicContact CZ-CB 3.91Å; F15-V77 HydrophobicContact CZ-CG1 3.21Å; F15-L78 HydrophobicContact CD2-CD2 3.9Å; F15-L78 HydrophobicContact CE2-CD2 3.24Å; F15-L78 HydrophobicContact CE2-CG 3.72Å; F15-L78 HydrophobicContact CZ-CD2 3.65Å; F15-L78 HydrophobicContact CZ-CG 4.02Å; F15-T81 HydrophobicContact CD1-CG2 4.19Å; F15-T81 HydrophobicContact CE1-CG2 3.63Å; F15-T81 HydrophobicContact CZ-CG2 4.45Å
16Y57Low56.8Low136 Ų13687.6 Ų87.653%0.53347%0.465SS..SBendtrans-115.580.6-174.7-152.6-93.1000111I12 S13 I19 V40I12-Y16 WeakPolarHBondContact O-CB 3.47Å; I12-Y16 PolarHBondContact O-N 3.49Å; S13-Y16 CarbonylContact O-C 3.22Å; Y16-I19 HydrophobicContact CD1-CG1 4.31Å; Y16-V40 HydrophobicContact CD2-CG2 4.21Å
17I53.8Low56.6Low109 Ų10987.5 Ų87.556%0.55946%0.462SS*.THydrogen-bonded Turntrans-80.2139.1172.5-58.1172.1000109.1A83I17-A83 HydrophobicContact CD1-CB 4.09Å
18P45Very low56.5Low104 Ų10486.7 Ų86.768%0.67546%0.462SS*.THydrogen-bonded Turncis-115.4107.5-1931.6-13.2000108.6K20P18-K20 VanDerWaalsContact C-N 3.35Å; P18-K20 PolarHBondContact O-N 3.42Å
19I48.1Very low56.6Low84 Ų8488.9 Ų88.943%0.43148%0.48SS..  trans-58.8113.5153.3-52.6175.7000103.5F9 Y16 A21F9-I19 HydrophobicContact CZ-CD1 4.21Å; Y16-I19 HydrophobicContact CD1-CG1 4.31Å; I19-A21 PolarHBondContact O-N 3.48Å
20K43Very low56.6Low186 Ų18689.9 Ų89.981%0.80949%0.486SS*.  trans-42.3113.7172.6-81.9-178173.7-179.60105.8P18 E22P18-K20 VanDerWaalsContact C-N 3.35Å; P18-K20 PolarHBondContact O-N 3.42Å; K20-E22 PolarHBondContact O-N 2.87Å
21A45.9Very low56.8Low104 Ų10492.2 Ų92.286%0.8650%0.495SS*.  trans-71.869.4-173.200000108.6I19I19-A21 PolarHBondContact O-N 3.48Å
22E49.9Very low56.8Low162 Ų16296 Ų9676%0.75752%0.515SS*.  trans-66.5135.6154.9-62.9-165.3128.600106.1K20 I24K20-E22 PolarHBondContact O-N 2.87Å; E22-I24 PolarHBondContact O-N 2.88Å
23P50.8Low57Low112 Ų11295.9 Ų95.973%0.72752%0.515SS*.  trans-55.1123.5176.721.4-29.7000107.8V25P23-V25 WeakPolarHBondContact O-CG2 3.33Å; P23-V25 PolarHBondContact O-N 3.44Å
24I52.7Low57.2Low89 Ų8997.3 Ų97.346%0.45652%0.519SS..  trans-6792.2173.2-54.3150.4000105.9F9 E22 T26F9-I24 HydrophobicContact CD1-CD1 3.28Å; F9-I24 HydrophobicContact CD1-CG1 4.38Å; F9-I24 HydrophobicContact CE1-CD1 3.01Å; F9-I24 HydrophobicContact CE1-CG1 3.77Å; F9-I24 HydrophobicContact CG-CD1 4.27Å; F9-I24 HydrophobicContact CZ-CD1 3.78Å; F9-I24 HydrophobicContact CZ-CG1 4.06Å; E22-I24 PolarHBondContact O-N 2.88Å; I24-T26 WeakPolarHBondContact CG2-O 2.96Å; I24-T26 PolarHBondContact O-N 2.74Å
25V51.4Low57.5Low131 Ų13193.2 Ų93.279%0.79451%0.508SS*.SBendtrans-69.4-28.3-179.8-171.40000110.2P23P23-V25 WeakPolarHBondContact O-CG2 3.33Å; P23-V25 PolarHBondContact O-N 3.44Å
26T55.9Low57.9Low110 Ų11093.5 Ų93.568%0.67551%0.511SS*.SBendtrans-128.7120.6177.4-51.60000108.7I24I24-T26 WeakPolarHBondContact CG2-O 2.96Å; I24-T26 PolarHBondContact O-N 2.74Å
27P58.9Low58.5Low50 Ų5087.1 Ų87.133%0.32549%0.486SS..PPolyproline II helixtrans-56.8132.2173.824.8-32.4000108.5T5T5-P27 HydrophobicContact CG2-CB 4.04Å
28P62.3Low59.3Low33 Ų3387.1 Ų87.121%0.21448%0.484CS..PPolyproline II helixtrans-55.2159.3179.911.9-21.9000111.7T5 F9 L30 D32 V33T5-P28 HydrophobicContact CG2-CG 4.16Å; T5-P28 WeakPolarHBondContact CG2-O 3.31Å; F9-P28 HydrophobicContact CB-CG 4.4Å; F9-P28 HydrophobicContact CD2-CG 3.32Å; F9-P28 HydrophobicContact CE2-CG 3.79Å; F9-P28 HydrophobicContact CG-CG 4.05Å; P28-L30 PolarHBondContact O-N 2.89Å; P28-D32 HydrophobicContact CB-CB 4.34Å; P28-V33 HydrophobicContact CB-CG2 3.77Å; P28-V33 HydrophobicContact CG-CG2 3.47Å; P28-V33 VanDerWaalsContact CG-CG2 3.47Å
29A67.1Low60.3Low49 Ų4988.8 Ų88.841%0.40548%0.477SS..PPolyproline II helixtrans-60.1144173.200000108.6E31 D32 V33A29-E31 PolarHBondContact O-N 2.83Å; A29-E31 VanDerWaalsContact O-N 3.15Å; A29-D32 WeakPolarHBondContact CB-OD2 3.46Å; A29-D32 PolarHBondContact N-OD2 3.43Å; A29-D32 WeakPolarHBondContact O-CB 3.49Å; A29-D32 PolarHBondContact O-N 3.36Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.44Å; A29-V33 VanDerWaalsContact O-N 3.11Å
30L64.9Low61.1Low50 Ų5085.6 Ų85.626%0.26246%0.461SS..Hα-helixtrans-54.5-36.4177.9-179.264.1000110.7L4 P28 V33 L34L4-L30 HydrophobicContact CD2-CD1 3.82Å; L4-L30 HydrophobicContact CD2-CD2 3.98Å; L4-L30 HydrophobicContact CG-CD1 4.1Å; P28-L30 PolarHBondContact O-N 2.89Å; L30-V33 PolarHBondContact O-N 3.35Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 HydrophobicContact CG-CD1 4.07Å; L30-L34 HydrophobicContact CG-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.03Å
31E68.2Low62.2Low156 Ų15677.2 Ų77.273%0.72943%0.425SS*.Hα-helixtrans-57.7-48.7174.9-63.7173.3-170.200112.1A29 V33 L34 E35A29-E31 PolarHBondContact O-N 2.83Å; A29-E31 VanDerWaalsContact O-N 3.15Å; E31-V33 VanDerWaalsContact C-N 3.29Å; E31-V33 PolarHBondContact O-N 3.15Å; E31-L34 PolarHBondContact O-N 3.13Å; E31-E35 WeakPolarHBondContact O-CB 3.32Å; E31-E35 PolarHBondContact O-N 3.3Å
32D67.4Low63.3Low89 Ų8979.6 Ų79.648%0.47642%0.418SS..Hα-helixtrans-61-40.5176.8-57.9-39000111.5P28 A29 L36P28-D32 HydrophobicContact CB-CB 4.34Å; A29-D32 WeakPolarHBondContact CB-OD2 3.46Å; A29-D32 PolarHBondContact N-OD2 3.43Å; A29-D32 WeakPolarHBondContact O-CB 3.49Å; A29-D32 PolarHBondContact O-N 3.36Å; D32-L36 WeakPolarHBondContact O-CB 3.29Å; D32-L36 PolarHBondContact O-N 2.88Å
33V67.3Low64Low1 Ų181.3 Ų81.31%0.00642%0.419CS..Hα-helixtrans-68.7-38.7179.5-1750000110.9T5 L8 F9 I12 P28 A29 L30 E31 T37T5-V33 HydrophobicContact CG2-CG2 3.66Å; L8-V33 HydrophobicContact CB-CG1 3.75Å; L8-V33 HydrophobicContact CD2-CB 4.33Å; L8-V33 HydrophobicContact CD2-CG1 3.46Å; L8-V33 VanDerWaalsContact CD2-CG1 3.46Å; L8-V33 HydrophobicContact CG-CG1 3.46Å; L8-V33 VanDerWaalsContact CG-CG1 3.46Å; F9-V33 HydrophobicContact CB-CG2 4.48Å; F9-V33 HydrophobicContact CD2-CG2 4.44Å; I12-V33 HydrophobicContact CD1-CG1 3.52Å; I12-V33 VanDerWaalsContact CD1-O 3.3Å; I12-V33 WeakPolarHBondContact CD1-O 3.13Å; P28-V33 HydrophobicContact CB-CG2 3.77Å; P28-V33 HydrophobicContact CG-CG2 3.47Å; P28-V33 VanDerWaalsContact CG-CG2 3.47Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.44Å; A29-V33 VanDerWaalsContact O-N 3.11Å; L30-V33 PolarHBondContact O-N 3.35Å; E31-V33 VanDerWaalsContact C-N 3.29Å; E31-V33 PolarHBondContact O-N 3.15Å; V33-T37 WeakPolarHBondContact O-CB 3.43Å; V33-T37 PolarHBondContact O-N 2.85Å; V33-T37 PolarHBondContact O-OG1 3.43Å
34L68.8Low64.8Low66 Ų6677.4 Ų77.435%0.34639%0.394SS..Hα-helixtrans-67-46.8175.5-71.8172.6000110.9L8 L30 E31 L36 T37 E38 L56L8-L34 HydrophobicContact CD2-CD2 4Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 HydrophobicContact CG-CD1 4.07Å; L30-L34 HydrophobicContact CG-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.03Å; E31-L34 PolarHBondContact O-N 3.13Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-L36 PolarHBondContact O-N 2.8Å; L34-T37 WeakPolarHBondContact O-CA 3.28Å; L34-T37 VanDerWaalsContact O-CB 3.32Å; L34-T37 WeakPolarHBondContact O-CB 3.4Å; L34-T37 PolarHBondContact O-N 3.07Å; L34-T37 VanDerWaalsContact O-N 3.1Å; L34-E38 WeakPolarHBondContact O-CG 3.48Å; L34-E38 PolarHBondContact O-N 3.26Å; L34-L56 HydrophobicContact CD2-CD1 4.37Å; L34-L56 HydrophobicContact CD2-CD2 3.68Å
35E68.9Low65.6Low92 Ų9283.2 Ų83.243%0.4341%0.41SS..Hα-helixtrans-59.6-43.9176.3-172.1-176.6158.900111.2E31 T37 E38 R39E31-E35 WeakPolarHBondContact O-CB 3.32Å; E31-E35 PolarHBondContact O-N 3.3Å; E35-T37 VanDerWaalsContact C-N 3.34Å; E35-E38 PolarHBondContact O-N 3.27Å; E35-R39 WeakPolarHBondContact O-CG 3.36Å; E35-R39 PolarHBondContact O-N 3.11Å; E35-R39 IonicContact OE1-CZ 3.11Å; E35-R39 IonicContact OE1-NE 3.62Å; E35-R39 IonicContact OE1-NH1 3.72Å; E35-R39 IonicContact OE1-NH2 2.62Å; E35-R39 PolarHBondContact OE1-NH2 3.35Å
36L68.6Low66.4Low51 Ų5182 Ų8227%0.26741%0.406SS..Hα-helixtrans-64.3-40.2175.2-173.567.6000111.5I12 D32 L34 R39 V40I12-L36 HydrophobicContact CD1-CB 4.32Å; I12-L36 HydrophobicContact CD1-CD2 4.21Å; I12-L36 HydrophobicContact CD1-CG 4.34Å; I12-L36 HydrophobicContact CG2-CD2 3.54Å; I12-L36 HydrophobicContact CG2-CG 3.82Å; D32-L36 WeakPolarHBondContact O-CB 3.29Å; D32-L36 PolarHBondContact O-N 2.88Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-L36 PolarHBondContact O-N 2.8Å; L36-R39 PolarHBondContact O-N 3.06Å; L36-V40 WeakPolarHBondContact O-CB 3.38Å; L36-V40 WeakPolarHBondContact O-CG2 3.08Å; L36-V40 PolarHBondContact O-N 2.74Å
37T69.3Low67.1Low2 Ų279.5 Ų79.51%0.01240%0.401CS..Hα-helixtrans-57.8-53.7174.4-58.40000109.1I12 V33 L34 E35 R39 V40 L41 V52 L56I12-T37 WeakPolarHBondContact CD1-OG1 3.2Å; V33-T37 WeakPolarHBondContact O-CB 3.43Å; V33-T37 PolarHBondContact O-N 2.85Å; V33-T37 PolarHBondContact O-OG1 3.43Å; L34-T37 WeakPolarHBondContact O-CA 3.28Å; L34-T37 VanDerWaalsContact O-CB 3.32Å; L34-T37 WeakPolarHBondContact O-CB 3.4Å; L34-T37 PolarHBondContact O-N 3.07Å; L34-T37 VanDerWaalsContact O-N 3.1Å; E35-T37 VanDerWaalsContact C-N 3.34Å; T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 PolarHBondContact O-N 2.89Å; T37-V40 CarbonylContact O-C 3.59Å; T37-V40 PolarHBondContact O-N 3.08Å; T37-L41 HydrophobicContact CG2-CD1 4.21Å; T37-L41 HydrophobicContact CG2-CG 4.17Å; T37-L41 VanDerWaalsContact O-CG 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.21Å; T37-L41 PolarHBondContact O-N 3.17Å; T37-V52 HydrophobicContact CG2-CG1 3.47Å; T37-V52 VanDerWaalsContact CG2-CG1 3.47Å; T37-L56 HydrophobicContact CG2-CD1 4.25Å
38E70Confident67.5Low108 Ų10878.5 Ų78.551%0.50539%0.394SS..Hα-helixtrans-58.1-41.9180-70-166145.100112.7L34 E35 L41 Q42L34-E38 WeakPolarHBondContact O-CG 3.48Å; L34-E38 PolarHBondContact O-N 3.26Å; E35-E38 PolarHBondContact O-N 3.27Å; E38-L41 WeakPolarHBondContact O-CB 3.46Å; E38-L41 PolarHBondContact O-N 3.01Å; E38-Q42 WeakPolarHBondContact O-CG 3.23Å; E38-Q42 PolarHBondContact O-N 2.86Å; E38-Q42 VanDerWaalsContact O-N 3.16Å
39R67Low67.8Low140 Ų14078.3 Ų78.353%0.52839%0.392SS..Hα-helixtrans-60.3-46.9172.8-76.1-179.2178.5165.34.8112E35 L36 T37 L41 Q42 Y43E35-R39 WeakPolarHBondContact O-CG 3.36Å; E35-R39 PolarHBondContact O-N 3.11Å; E35-R39 IonicContact OE1-CZ 3.11Å; E35-R39 IonicContact OE1-NE 3.62Å; E35-R39 IonicContact OE1-NH1 3.72Å; E35-R39 IonicContact OE1-NH2 2.62Å; E35-R39 PolarHBondContact OE1-NH2 3.35Å; L36-R39 PolarHBondContact O-N 3.06Å; T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 PolarHBondContact O-N 2.89Å; R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 PolarHBondContact O-N 3.45Å; R39-Q42 WeakPolarHBondContact O-CB 3.48Å; R39-Q42 PolarHBondContact O-N 3.27Å; R39-Y43 WeakPolarHBondContact O-CD2 3.43Å; R39-Y43 WeakPolarHBondContact O-CE2 3.33Å
40V64.2Low67.9Low16 Ų1679.7 Ų79.710%0.09740%0.396CS..Hα-helixtrans-63.2-36.2177.1170.20000111.1I12 F15 Y16 L36 T37 Q42 Y43 C44I12-V40 HydrophobicContact CG2-CG2 4.05Å; F15-V40 HydrophobicContact CB-CG1 4.19Å; Y16-V40 HydrophobicContact CD2-CG2 4.21Å; L36-V40 WeakPolarHBondContact O-CB 3.38Å; L36-V40 WeakPolarHBondContact O-CG2 3.08Å; L36-V40 PolarHBondContact O-N 2.74Å; T37-V40 CarbonylContact O-C 3.59Å; T37-V40 PolarHBondContact O-N 3.08Å; V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 PolarHBondContact O-N 3.38Å; V40-Y43 PolarHBondContact O-N 2.95Å; V40-Y43 VanDerWaalsContact O-N 3.11Å; V40-C44 PolarHBondContact O-N 3.2Å; V40-C44 PolarHBondContact O-SG 3.38Å
41L67.9Low68.1Low11 Ų1177.9 Ų77.96%0.05839%0.388CS..Hα-helixtrans-63.7-30.9176.8-67.3-168.3000112.9T37 E38 R39 Y43 C44 V49 V52 R53T37-L41 HydrophobicContact CG2-CD1 4.21Å; T37-L41 HydrophobicContact CG2-CG 4.17Å; T37-L41 VanDerWaalsContact O-CG 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.21Å; T37-L41 PolarHBondContact O-N 3.17Å; E38-L41 WeakPolarHBondContact O-CB 3.46Å; E38-L41 PolarHBondContact O-N 3.01Å; R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 PolarHBondContact O-N 3.45Å; L41-Y43 PolarHBondContact O-N 3.47Å; L41-C44 PolarHBondContact O-N 3.48Å; L41-V49 HydrophobicContact CB-CG1 4.27Å; L41-V49 HydrophobicContact CB-CG2 4.02Å; L41-V49 HydrophobicContact CD1-CG1 4.16Å; L41-V49 HydrophobicContact CD2-CG2 4.38Å; L41-V49 WeakPolarHBondContact O-CG2 3.47Å; L41-V52 HydrophobicContact CD1-CB 4.01Å; L41-V52 HydrophobicContact CD1-CG1 3.85Å; L41-V52 HydrophobicContact CD2-CB 3.6Å; L41-V52 HydrophobicContact CD2-CG1 3.82Å; L41-V52 HydrophobicContact CD2-CG2 3.74Å; L41-V52 HydrophobicContact CG-CB 4.37Å; L41-V52 HydrophobicContact CG-CG1 4.23Å; L41-R53 HydrophobicContact CD1-CG 4.34Å
42Q67.2Low68.2Low153 Ų15370.5 Ų70.572%0.71535%0.354SS*.Hα-helixtrans-63.3-25.6174.8-67.9176.7-1600113.2E38 R39 V40E38-Q42 WeakPolarHBondContact O-CG 3.23Å; E38-Q42 PolarHBondContact O-N 2.86Å; E38-Q42 VanDerWaalsContact O-N 3.16Å; R39-Q42 WeakPolarHBondContact O-CB 3.48Å; R39-Q42 PolarHBondContact O-N 3.27Å; V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 PolarHBondContact O-N 3.38Å
43Y65.9Low68.4Low199 Ų19973 Ų7378%0.7836%0.356SS*.Hα-helixtrans-96.4-7.9177.7-59.5-75.5000113.4R39 V40 L41R39-Y43 WeakPolarHBondContact O-CD2 3.43Å; R39-Y43 WeakPolarHBondContact O-CE2 3.33Å; V40-Y43 PolarHBondContact O-N 2.95Å; V40-Y43 VanDerWaalsContact O-N 3.11Å; L41-Y43 PolarHBondContact O-N 3.47Å
44C66.9Low68.5Low29 Ų2978 Ų7820%0.19638%0.379CS..SBendtrans-85.2153.9-177.2-77.80000111.7V40 L41 T48 V49V40-C44 PolarHBondContact O-N 3.2Å; V40-C44 PolarHBondContact O-SG 3.38Å; L41-C44 PolarHBondContact O-N 3.48Å; C44-T48 HydrophobicContact CB-CG2 3.68Å; C44-V49 HydrophobicContact CB-CG2 3.96Å
45R68.7Low68.5Low211 Ų21174.8 Ų74.880%0.79636%0.363SS*.  trans-62148.5170.9-68.4-174.3177.5-172.1-0.2109.5G47 T48 V49R45-G47 PolarHBondContact O-N 3.28Å; R45-T48 WeakPolarHBondContact O-CA 3.4Å; R45-T48 WeakPolarHBondContact O-CB 3.47Å; R45-T48 PolarHBondContact O-N 2.9Å; R45-V49 PolarHBondContact O-N 2.93Å; R45-V49 VanDerWaalsContact O-N 3.13Å
46P70Confident68.5Low107 Ų10772.2 Ų72.270%0.69535%0.352SS*.Hα-helixtrans-49.5-38.3-179.6-3035000113.9T48 V49 T50P46-T48 PolarHBondContact O-N 3.47Å; P46-V49 WeakPolarHBondContact O-CB 3.06Å; P46-V49 PolarHBondContact O-N 3.32Å; P46-T50 PolarHBondContact O-N 3.09Å; P46-T50 PolarHBondContact O-OG1 3.34Å; P46-T50 VanDerWaalsContact O-OG1 3.09Å
47G68.9Low68.7Low56 Ų5673.7 Ų73.758%0.57737%0.367SS*.Hα-helixtrans-62.2-38.2176.200000114.1R45 A51R45-G47 PolarHBondContact O-N 3.28Å; G47-A51 WeakPolarHBondContact O-CB 3.3Å; G47-A51 PolarHBondContact O-N 2.94Å
48T67.3Low68.6Low29 Ų2975.5 Ų75.518%0.17838%0.376CS..Hα-helixtrans-68.8-39.6174.3-60.70000111.1F15 C44 R45 P46 A51 V52 V77F15-T48 HydrophobicContact CE1-CG2 4.31Å; C44-T48 HydrophobicContact CB-CG2 3.68Å; R45-T48 WeakPolarHBondContact O-CA 3.4Å; R45-T48 WeakPolarHBondContact O-CB 3.47Å; R45-T48 PolarHBondContact O-N 2.9Å; P46-T48 PolarHBondContact O-N 3.47Å; T48-A51 PolarHBondContact O-N 2.84Å; T48-V52 HydrophobicContact CG2-CG2 4.42Å; T48-V52 WeakPolarHBondContact O-CG2 3.24Å; T48-V52 PolarHBondContact O-N 3.21Å; T48-V77 HydrophobicContact CG2-CG1 3.52Å
49V68.6Low68.3Low30 Ų3071.9 Ų71.918%0.18236%0.359CS..Hα-helixtrans-61.1-47.2175.4-179.70000111.4L41 C44 R45 P46 A51 V52 R53L41-V49 HydrophobicContact CB-CG1 4.27Å; L41-V49 HydrophobicContact CB-CG2 4.02Å; L41-V49 HydrophobicContact CD1-CG1 4.16Å; L41-V49 HydrophobicContact CD2-CG2 4.38Å; L41-V49 WeakPolarHBondContact O-CG2 3.47Å; C44-V49 HydrophobicContact CB-CG2 3.96Å; R45-V49 PolarHBondContact O-N 2.93Å; R45-V49 VanDerWaalsContact O-N 3.13Å; P46-V49 WeakPolarHBondContact O-CB 3.06Å; P46-V49 PolarHBondContact O-N 3.32Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.97Å; V49-V52 PolarHBondContact O-N 2.93Å; V49-R53 WeakPolarHBondContact O-CB 3.49Å; V49-R53 WeakPolarHBondContact O-CG 3.02Å; V49-R53 PolarHBondContact O-N 3.04Å
50T70.8Confident68.2Low78 Ų7872 Ų7248%0.47937%0.37SS..Hα-helixtrans-58.9-46.8176.2-58.20000111P46 V52 R53 Q54P46-T50 PolarHBondContact O-N 3.09Å; P46-T50 PolarHBondContact O-OG1 3.34Å; P46-T50 VanDerWaalsContact O-OG1 3.09Å; T50-V52 PolarHBondContact O-N 3.44Å; T50-R53 PolarHBondContact O-N 2.82Å; T50-Q54 WeakPolarHBondContact O-CG 3.32Å; T50-Q54 PolarHBondContact O-N 2.67Å
51A68.8Low68Low12 Ų1273.4 Ų73.410%0.09938%0.381CS..Hα-helixtrans-60.8-45.3179.200000112.3G47 T48 V49 Q54 I55 I73 V77G47-A51 WeakPolarHBondContact O-CB 3.3Å; G47-A51 PolarHBondContact O-N 2.94Å; T48-A51 PolarHBondContact O-N 2.84Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.97Å; A51-Q54 WeakPolarHBondContact O-CB 3.34Å; A51-Q54 PolarHBondContact O-N 3.32Å; A51-I55 WeakPolarHBondContact O-CB 3.06Å; A51-I55 WeakPolarHBondContact O-CD1 3.21Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 2.93Å; A51-I73 HydrophobicContact CB-CG2 3.58Å; A51-V77 HydrophobicContact CB-CG2 3.34Å
52V69.3Low67.7Low1 Ų179.2 Ų79.21%0.00642%0.419CS..Hα-helixtrans-69.1-35.5178.31780000112.3F11 T37 L41 T48 V49 T50 Q54 I55 L56F11-V52 HydrophobicContact CE1-CG1 4.41Å; F11-V52 HydrophobicContact CE1-CG2 3.49Å; F11-V52 VanDerWaalsContact CE1-CG2 3.49Å; F11-V52 HydrophobicContact CZ-CG2 3.63Å; T37-V52 HydrophobicContact CG2-CG1 3.47Å; T37-V52 VanDerWaalsContact CG2-CG1 3.47Å; L41-V52 HydrophobicContact CD1-CB 4.01Å; L41-V52 HydrophobicContact CD1-CG1 3.85Å; L41-V52 HydrophobicContact CD2-CB 3.6Å; L41-V52 HydrophobicContact CD2-CG1 3.82Å; L41-V52 HydrophobicContact CD2-CG2 3.74Å; L41-V52 HydrophobicContact CG-CB 4.37Å; L41-V52 HydrophobicContact CG-CG1 4.23Å; T48-V52 HydrophobicContact CG2-CG2 4.42Å; T48-V52 WeakPolarHBondContact O-CG2 3.24Å; T48-V52 PolarHBondContact O-N 3.21Å; V49-V52 PolarHBondContact O-N 2.93Å; T50-V52 PolarHBondContact O-N 3.44Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-I55 HydrophobicContact CG2-CD1 4.48Å; V52-I55 WeakPolarHBondContact O-CB 3.48Å; V52-I55 PolarHBondContact O-N 3.35Å; V52-L56 HydrophobicContact CG1-CD1 4.34Å; V52-L56 HydrophobicContact CG1-CG 4.45Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3.41Å; V52-L56 PolarHBondContact O-N 3.37Å
53R71.4Confident67.5Low141 Ų14175.5 Ų75.553%0.53240%0.404SS..Hα-helixtrans-65.5-38.3172.7-74.5-174.1178.1-79.1-3.2112.1L41 V49 T50 L56 S57L41-R53 HydrophobicContact CD1-CG 4.34Å; V49-R53 WeakPolarHBondContact O-CB 3.49Å; V49-R53 WeakPolarHBondContact O-CG 3.02Å; V49-R53 PolarHBondContact O-N 3.04Å; T50-R53 PolarHBondContact O-N 2.82Å; R53-L56 PolarHBondContact O-N 3.16Å; R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.25Å
54Q69.8Low67.3Low105 Ų10571 Ų7149%0.49140%0.399SS..Hα-helixtrans-63.6-44.7173.1-74.7178.3-47.100111.3T50 A51 V52 L56 S57 D58 I73T50-Q54 WeakPolarHBondContact O-CG 3.32Å; T50-Q54 PolarHBondContact O-N 2.67Å; A51-Q54 WeakPolarHBondContact O-CB 3.34Å; A51-Q54 PolarHBondContact O-N 3.32Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-L56 PolarHBondContact O-N 3.19Å; Q54-S57 PolarHBondContact O-N 2.81Å; Q54-D58 VanDerWaalsContact O-CB 3.31Å; Q54-D58 WeakPolarHBondContact O-CB 3.35Å; Q54-D58 PolarHBondContact O-N 2.84Å; Q54-I73 HydrophobicContact CB-CD1 4.13Å
55I69Low67.5Low0 Ų071.6 Ų71.60%040%0.403CS..Hα-helixtrans-52.7-54.1172.6-74.7162000110.1F11 A51 V52 S57 D58 F59 I73 Q74F11-I55 HydrophobicContact CZ-CD1 4.35Å; A51-I55 WeakPolarHBondContact O-CB 3.06Å; A51-I55 WeakPolarHBondContact O-CD1 3.21Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 2.93Å; V52-I55 HydrophobicContact CG2-CD1 4.48Å; V52-I55 WeakPolarHBondContact O-CB 3.48Å; V52-I55 PolarHBondContact O-N 3.35Å; I55-S57 PolarHBondContact O-N 3.33Å; I55-D58 PolarHBondContact O-N 2.81Å; I55-F59 HydrophobicContact CB-CE2 4.46Å; I55-F59 HydrophobicContact CG2-CD2 3.54Å; I55-F59 HydrophobicContact CG2-CE2 3.18Å; I55-F59 HydrophobicContact CG2-CZ 4.34Å; I55-F59 WeakPolarHBondContact O-CD2 2.94Å; I55-F59 WeakPolarHBondContact O-CG 3.49Å; I55-F59 PolarHBondContact O-N 3.1Å; I55-I73 HydrophobicContact CD1-CB 3.81Å; I55-I73 HydrophobicContact CD1-CG2 3.45Å; I55-I73 VanDerWaalsContact CD1-CG2 3.45Å; I55-I73 HydrophobicContact CG1-CB 3.58Å; I55-I73 HydrophobicContact CG1-CD1 4.26Å; I55-I73 HydrophobicContact CG1-CG2 3.55Å; I55-Q74 HydrophobicContact CD1-CB 4.27Å; I55-Q74 HydrophobicContact CD1-CG 3.46Å; I55-Q74 VanDerWaalsContact CD1-CG 3.46Å; I55-Q74 HydrophobicContact CG1-CG 4.12Å; I55-Q74 HydrophobicContact CG2-CG 4.12Å
56L70Confident67.4Low37 Ų3761.8 Ų61.819%0.19437%0.367CS..Hα-helixtrans-60.2-43.9179.9-69.8173.4000112.2L8 L34 T37 V52 R53 Q54 F59 D60L8-L56 HydrophobicContact CD1-CD2 4.06Å; L8-L56 HydrophobicContact CD2-CD2 3.87Å; L34-L56 HydrophobicContact CD2-CD1 4.37Å; L34-L56 HydrophobicContact CD2-CD2 3.68Å; T37-L56 HydrophobicContact CG2-CD1 4.25Å; V52-L56 HydrophobicContact CG1-CD1 4.34Å; V52-L56 HydrophobicContact CG1-CG 4.45Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3.41Å; V52-L56 PolarHBondContact O-N 3.37Å; R53-L56 PolarHBondContact O-N 3.16Å; Q54-L56 PolarHBondContact O-N 3.19Å; L56-F59 PolarHBondContact O-N 2.88Å; L56-D60 PolarHBondContact O-N 2.62Å
57S70.8Confident67.1Low83 Ų8359.7 Ų59.758%0.5835%0.35SS*.Hα-helixtrans-66.6-36.7177.9-173.90000113R53 Q54 I55 F59R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.25Å; Q54-S57 PolarHBondContact O-N 2.81Å; I55-S57 PolarHBondContact O-N 3.33Å; S57-F59 VanDerWaalsContact C-N 3.31Å
58D67.8Low66.9Low39 Ų3961.9 Ų61.921%0.20935%0.345CS..Hα-helixtrans-69.7-33.5176.5-81.5-10.9000110.3Q54 I55 D60 S61 S66Q54-D58 VanDerWaalsContact O-CB 3.31Å; Q54-D58 WeakPolarHBondContact O-CB 3.35Å; Q54-D58 PolarHBondContact O-N 2.84Å; I55-D58 PolarHBondContact O-N 2.81Å; D58-D60 PolarHBondContact O-N 3.09Å; D58-S61 WeakPolarHBondContact O-CB 3.34Å; D58-S61 PolarHBondContact O-N 3.39Å; D58-S61 VanDerWaalsContact O-N 3.14Å; D58-S66 WeakPolarHBondContact O-CB 3.35Å
59F64.1Low67Low32 Ų3265.3 Ų65.314%0.1436%0.358CS..Hα-helixtrans-69-29.1177.7-81.3-65.5000114.5L4 I55 L56 S57 S61 L67 S70L4-F59 HydrophobicContact CD1-CB 3.95Å; L4-F59 HydrophobicContact CD1-CD1 3.63Å; L4-F59 HydrophobicContact CD1-CD2 4.33Å; L4-F59 HydrophobicContact CD1-CE1 4.05Å; L4-F59 HydrophobicContact CD1-CG 3.79Å; I55-F59 HydrophobicContact CB-CE2 4.46Å; I55-F59 HydrophobicContact CG2-CD2 3.54Å; I55-F59 HydrophobicContact CG2-CE2 3.18Å; I55-F59 HydrophobicContact CG2-CZ 4.34Å; I55-F59 WeakPolarHBondContact O-CD2 2.94Å; I55-F59 WeakPolarHBondContact O-CG 3.49Å; I55-F59 PolarHBondContact O-N 3.1Å; L56-F59 PolarHBondContact O-N 2.88Å; S57-F59 VanDerWaalsContact C-N 3.31Å; F59-S61 PolarHBondContact O-N 2.93Å; F59-L67 HydrophobicContact CD1-CD1 3.91Å; F59-L67 HydrophobicContact CE1-CD1 3.22Å; F59-L67 HydrophobicContact CZ-CD1 4.14Å; F59-S70 WeakPolarHBondContact CE1-OG 3.27Å; F59-S70 WeakPolarHBondContact CE2-OG 3.48Å; F59-S70 WeakPolarHBondContact CZ-OG 3.45Å
60D63.7Low66.8Low143 Ų14363.9 Ų63.977%0.76535%0.349SS*.THydrogen-bonded Turntrans-73.3-9.4172.7-76.9-28.2000112.7L56 D58L56-D60 PolarHBondContact O-N 2.62Å; D58-D60 PolarHBondContact O-N 3.09Å
61S61.3Low66.6Low46 Ų4662.7 Ų62.732%0.32234%0.339SS..SBendtrans-74.9133.5175.6-168.60000110.8D58 F59 N63 S66D58-S61 WeakPolarHBondContact O-CB 3.34Å; D58-S61 PolarHBondContact O-N 3.39Å; D58-S61 VanDerWaalsContact O-N 3.14Å; F59-S61 PolarHBondContact O-N 2.93Å; S61-N63 PolarHBondContact O-N 3.07Å; S61-N63 WeakPolarHBondContact OG-CB 3.17Å; S61-N63 PolarHBondContact OG-N 2.83Å; S61-S66 VanDerWaalsContact CB-OG 3.29Å; S61-S66 WeakPolarHBondContact CB-OG 3.33Å; S61-S66 PolarHBondContact OG-OG 3.46Å
62P61.1Low66.5Low132 Ų13268.1 Ų68.186%0.85736%0.357SS*.SBendtrans-68.3-1.1172.729.6-35.5000113.1
63N63.9Low66.5Low75 Ų7569.7 Ų69.740%0.40137%0.365SS..  trans-88.3120.5-174.7-173.2-15.6000110.8S61 S65 S66S61-N63 PolarHBondContact O-N 3.07Å; S61-N63 WeakPolarHBondContact OG-CB 3.17Å; S61-N63 PolarHBondContact OG-N 2.83Å; N63-S65 PolarHBondContact ND2-OG 3.4Å; N63-S65 PolarHBondContact O-N 3.43Å; N63-S65 VanDerWaalsContact O-N 3.13Å; N63-S65 WeakPolarHBondContact OD1-CB 3.43Å; N63-S65 PolarHBondContact OD1-N 3.03Å; N63-S65 PolarHBondContact OD1-OG 2.97Å; N63-S66 VanDerWaalsContact O-CB 3.27Å; N63-S66 WeakPolarHBondContact O-CB 3.4Å; N63-S66 PolarHBondContact O-N 3.29Å; N63-S66 PolarHBondContact O-OG 3.42Å
64P61.9Low66.1Low104 Ų10463.8 Ų63.868%0.67534%0.344SS*.Hα-helixtrans-60.4-23.9178.124.1-34.1000113.5S66 L67 E68P64-S66 PolarHBondContact O-N 3.41Å; P64-L67 WeakPolarHBondContact O-CB 2.92Å; P64-L67 PolarHBondContact O-N 2.87Å; P64-E68 PolarHBondContact O-N 3.36Å
65S70.1Confident66Low42 Ų4264.7 Ų64.729%0.29435%0.348SS..Hα-helixtrans-65.5-25.1173.869.80000112.9N63 E68 K69N63-S65 PolarHBondContact ND2-OG 3.4Å; N63-S65 PolarHBondContact O-N 3.43Å; N63-S65 VanDerWaalsContact O-N 3.13Å; N63-S65 WeakPolarHBondContact OD1-CB 3.43Å; N63-S65 PolarHBondContact OD1-N 3.03Å; N63-S65 PolarHBondContact OD1-OG 2.97Å; S65-E68 PolarHBondContact O-N 3.45Å; S65-K69 WeakPolarHBondContact O-CG 3.31Å; S65-K69 PolarHBondContact O-N 2.9Å
66S66.1Low65.9Low6 Ų667.8 Ų67.84%0.04237%0.369CS..Hα-helixtrans-73.2-33.8178-50.20000111.3D58 S61 N63 P64 K69 S70D58-S66 WeakPolarHBondContact O-CB 3.35Å; S61-S66 VanDerWaalsContact CB-OG 3.29Å; S61-S66 WeakPolarHBondContact CB-OG 3.33Å; S61-S66 PolarHBondContact OG-OG 3.46Å; N63-S66 VanDerWaalsContact O-CB 3.27Å; N63-S66 WeakPolarHBondContact O-CB 3.4Å; N63-S66 PolarHBondContact O-N 3.29Å; N63-S66 PolarHBondContact O-OG 3.42Å; P64-S66 PolarHBondContact O-N 3.41Å; S66-K69 PolarHBondContact O-N 2.91Å; S66-S70 WeakPolarHBondContact O-CB 3.36Å; S66-S70 PolarHBondContact O-N 3.31Å; S66-S70 PolarHBondContact O-OG 3.22Å
67L63.4Low65.7Low63 Ų6366.6 Ų66.633%0.3336%0.363SS..Hα-helixtrans-61.8-42.1169.6174.362.6000111.9F59 P64 S70 I71F59-L67 HydrophobicContact CD1-CD1 3.91Å; F59-L67 HydrophobicContact CE1-CD1 3.22Å; F59-L67 HydrophobicContact CZ-CD1 4.14Å; P64-L67 WeakPolarHBondContact O-CB 2.92Å; P64-L67 PolarHBondContact O-N 2.87Å; L67-S70 WeakPolarHBondContact CA-OG 3.33Å; L67-S70 PolarHBondContact O-N 3.34Å; L67-S70 PolarHBondContact O-OG 3.28Å; L67-I71 HydrophobicContact CD1-CD1 4.14Å; L67-I71 HydrophobicContact CD1-CG1 4.43Å; L67-I71 HydrophobicContact CG-CD1 4.14Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 3.5Å
68E65.9Low65.4Low101 Ų10165 Ų6547%0.47235%0.348SS..Hα-helixtrans-68.8-37.8177.9-164.6-165.9147.700111.7P64 S65 R72P64-E68 PolarHBondContact O-N 3.36Å; S65-E68 PolarHBondContact O-N 3.45Å; E68-R72 VanDerWaalsContact CD-NH2 3.33Å; E68-R72 PolarHBondContact O-N 2.82Å; E68-R72 IonicContact OE1-CZ 3.16Å; E68-R72 IonicContact OE1-NH1 2.74Å; E68-R72 PolarHBondContact OE1-NH1 3.22Å; E68-R72 IonicContact OE1-NH2 3.09Å; E68-R72 PolarHBondContact OE1-NH2 3.27Å; E68-R72 VanDerWaalsContact OE1-NH2 3.09Å; E68-R72 IonicContact OE2-NH2 3.85Å
69K68.2Low65.1Low101 Ų10165.9 Ų65.944%0.43937%0.366SS..Hα-helixtrans-61.9-46.2172.3-74.2174.1-175.8176.20111.3S65 S66 I71 R72 I73S65-K69 WeakPolarHBondContact O-CG 3.31Å; S65-K69 PolarHBondContact O-N 2.9Å; S66-K69 PolarHBondContact O-N 2.91Å; K69-I71 VanDerWaalsContact C-N 3.35Å; K69-I71 PolarHBondContact O-N 3.35Å; K69-R72 PolarHBondContact O-N 3.42Å; K69-I73 VanDerWaalsContact O-CG1 3.28Å; K69-I73 WeakPolarHBondContact O-CG1 3.27Å; K69-I73 PolarHBondContact O-N 3.25Å
70S64.8Low64.6Low0 Ų072 Ų720%040%0.395CS..Hα-helixtrans-62.7-42.4-179.573.40000111.1F59 S66 L67 R72 I73 Q74F59-S70 WeakPolarHBondContact CE1-OG 3.27Å; F59-S70 WeakPolarHBondContact CE2-OG 3.48Å; F59-S70 WeakPolarHBondContact CZ-OG 3.45Å; S66-S70 WeakPolarHBondContact O-CB 3.36Å; S66-S70 PolarHBondContact O-N 3.31Å; S66-S70 PolarHBondContact O-OG 3.22Å; L67-S70 WeakPolarHBondContact CA-OG 3.33Å; L67-S70 PolarHBondContact O-N 3.34Å; L67-S70 PolarHBondContact O-OG 3.28Å; S70-R72 PolarHBondContact O-N 2.86Å; S70-I73 PolarHBondContact O-N 3.4Å; S70-Q74 VanDerWaalsContact O-CG 3.29Å; S70-Q74 WeakPolarHBondContact O-CG 2.91Å; S70-Q74 PolarHBondContact O-N 3.2Å
71I66.2Low63.9Low53 Ų5367.9 Ų67.927%0.27238%0.375SS..Hα-helixtrans-59-47.2173.3-68.1165.1000111.3L67 K69 I73 Q74 E75L67-I71 HydrophobicContact CD1-CD1 4.14Å; L67-I71 HydrophobicContact CD1-CG1 4.43Å; L67-I71 HydrophobicContact CG-CD1 4.14Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 3.5Å; K69-I71 VanDerWaalsContact C-N 3.35Å; K69-I71 PolarHBondContact O-N 3.35Å; I71-I73 VanDerWaalsContact C-N 3.32Å; I71-I73 PolarHBondContact O-N 3.47Å; I71-Q74 WeakPolarHBondContact O-CA 3.47Å; I71-Q74 WeakPolarHBondContact O-CB 3.5Å; I71-Q74 PolarHBondContact O-N 3.09Å; I71-Q74 VanDerWaalsContact O-N 3.08Å; I71-E75 HydrophobicContact CG2-CG 4.43Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.11Å
72R67.9Low63Low126 Ų12674.9 Ų74.948%0.47540%0.4SS..Hα-helixtrans-61.3-39.7178-79.2-172.3-77.9-123.5-9.3112.8E68 K69 S70 Q74 E75 S76E68-R72 VanDerWaalsContact CD-NH2 3.33Å; E68-R72 PolarHBondContact O-N 2.82Å; E68-R72 IonicContact OE1-CZ 3.16Å; E68-R72 IonicContact OE1-NH1 2.74Å; E68-R72 PolarHBondContact OE1-NH1 3.22Å; E68-R72 IonicContact OE1-NH2 3.09Å; E68-R72 PolarHBondContact OE1-NH2 3.27Å; E68-R72 VanDerWaalsContact OE1-NH2 3.09Å; E68-R72 IonicContact OE2-NH2 3.85Å; K69-R72 PolarHBondContact O-N 3.42Å; S70-R72 PolarHBondContact O-N 2.86Å; R72-Q74 VanDerWaalsContact C-N 3.33Å; R72-E75 PolarHBondContact O-N 3.03Å; R72-S76 WeakPolarHBondContact O-CB 2.94Å; R72-S76 PolarHBondContact O-N 3.37Å
73I68.5Low62.2Low35 Ų3571 Ų7118%0.17938%0.379CS..Hα-helixtrans-65.9-42.2175.3-61.4164.1000109.1A51 Q54 I55 K69 S70 I71 E75 S76 V77A51-I73 HydrophobicContact CB-CG2 3.58Å; Q54-I73 HydrophobicContact CB-CD1 4.13Å; I55-I73 HydrophobicContact CD1-CB 3.81Å; I55-I73 HydrophobicContact CD1-CG2 3.45Å; I55-I73 VanDerWaalsContact CD1-CG2 3.45Å; I55-I73 HydrophobicContact CG1-CB 3.58Å; I55-I73 HydrophobicContact CG1-CD1 4.26Å; I55-I73 HydrophobicContact CG1-CG2 3.55Å; K69-I73 VanDerWaalsContact O-CG1 3.28Å; K69-I73 WeakPolarHBondContact O-CG1 3.27Å; K69-I73 PolarHBondContact O-N 3.25Å; S70-I73 PolarHBondContact O-N 3.4Å; I71-I73 VanDerWaalsContact C-N 3.32Å; I71-I73 PolarHBondContact O-N 3.47Å; I73-E75 VanDerWaalsContact C-N 3.34Å; I73-E75 PolarHBondContact O-N 3.15Å; I73-S76 PolarHBondContact O-N 2.86Å; I73-S76 VanDerWaalsContact O-N 3.16Å; I73-V77 HydrophobicContact CG2-CG2 4.21Å; I73-V77 VanDerWaalsContact O-CG2 3.29Å; I73-V77 WeakPolarHBondContact O-CG2 3.43Å; I73-V77 PolarHBondContact O-N 3.28Å
74Q63.9Low61.1Low17 Ų1772.6 Ų72.68%0.07939%0.393CS..Hα-helixtrans-58.9-46.6177.1-73.7-179.9-22.400111.3F11 I55 S70 I71 R72 S76 V77 L78F11-Q74 HydrophobicContact CD2-CB 3.57Å; F11-Q74 HydrophobicContact CD2-CG 3.41Å; F11-Q74 VanDerWaalsContact CD2-CG 3.41Å; F11-Q74 HydrophobicContact CE2-CB 3.61Å; F11-Q74 HydrophobicContact CE2-CG 3.56Å; F11-Q74 HydrophobicContact CG-CG 4.07Å; F11-Q74 HydrophobicContact CZ-CG 4.36Å; I55-Q74 HydrophobicContact CD1-CB 4.27Å; I55-Q74 HydrophobicContact CD1-CG 3.46Å; I55-Q74 VanDerWaalsContact CD1-CG 3.46Å; I55-Q74 HydrophobicContact CG1-CG 4.12Å; I55-Q74 HydrophobicContact CG2-CG 4.12Å; S70-Q74 VanDerWaalsContact O-CG 3.29Å; S70-Q74 WeakPolarHBondContact O-CG 2.91Å; S70-Q74 PolarHBondContact O-N 3.2Å; I71-Q74 WeakPolarHBondContact O-CA 3.47Å; I71-Q74 WeakPolarHBondContact O-CB 3.5Å; I71-Q74 PolarHBondContact O-N 3.09Å; I71-Q74 VanDerWaalsContact O-N 3.08Å; R72-Q74 VanDerWaalsContact C-N 3.33Å; Q74-S76 VanDerWaalsContact C-N 3.35Å; Q74-S76 PolarHBondContact O-N 2.99Å; Q74-V77 PolarHBondContact O-N 3.32Å; Q74-L78 VanDerWaalsContact O-CB 3.25Å; Q74-L78 WeakPolarHBondContact O-CB 3.31Å; Q74-L78 VanDerWaalsContact O-CG 3.24Å; Q74-L78 WeakPolarHBondContact O-CG 3.4Å; Q74-L78 PolarHBondContact O-N 3.04Å
75E66.4Low59.9Low124 Ų12473.5 Ų73.558%0.57940%0.397SS*.Hα-helixtrans-62.5-38.9175.5-70.8178.3153.300112.4I71 R72 I73 G79I71-E75 HydrophobicContact CG2-CG 4.43Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.11Å; R72-E75 PolarHBondContact O-N 3.03Å; I73-E75 VanDerWaalsContact C-N 3.34Å; I73-E75 PolarHBondContact O-N 3.15Å; E75-G79 WeakPolarHBondContact O-CA 3.47Å; E75-G79 PolarHBondContact O-N 3.01Å
76S68Low58.3Low64 Ų6479 Ų7945%0.44842%0.421SS..Hα-helixtrans-65-49176.3178.50000111.5R72 I73 Q74 L78 G79 H80R72-S76 WeakPolarHBondContact O-CB 2.94Å; R72-S76 PolarHBondContact O-N 3.37Å; I73-S76 PolarHBondContact O-N 2.86Å; I73-S76 VanDerWaalsContact O-N 3.16Å; Q74-S76 VanDerWaalsContact C-N 3.35Å; Q74-S76 PolarHBondContact O-N 2.99Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.13Å; S76-G79 PolarHBondContact O-N 3.38Å; S76-H80 PolarHBondContact O-CD2 3.36Å; S76-H80 PolarHBondContact O-N 2.92Å; S76-H80 VanDerWaalsContact O-N 3.12Å
77V65.1Low56.6Low12 Ų1290.4 Ų90.47%0.07347%0.474CS..Hα-helixtrans-63.1-42.2177.7-173.30000110.3F11 F15 T48 A51 I73 Q74 H80 T81F11-V77 HydrophobicContact CZ-CB 4.49Å; F15-V77 HydrophobicContact CE1-CG1 3.58Å; F15-V77 HydrophobicContact CE2-CG1 4.26Å; F15-V77 HydrophobicContact CZ-CB 3.91Å; F15-V77 HydrophobicContact CZ-CG1 3.21Å; T48-V77 HydrophobicContact CG2-CG1 3.52Å; A51-V77 HydrophobicContact CB-CG2 3.34Å; I73-V77 HydrophobicContact CG2-CG2 4.21Å; I73-V77 VanDerWaalsContact O-CG2 3.29Å; I73-V77 WeakPolarHBondContact O-CG2 3.43Å; I73-V77 PolarHBondContact O-N 3.28Å; Q74-V77 PolarHBondContact O-N 3.32Å; V77-H80 PolarHBondContact O-N 3.36Å; V77-T81 PolarHBondContact O-N 3.39Å; V77-T81 PolarHBondContact O-OG1 3.49Å
78L64.7Low56.3Low50 Ų5091.8 Ų91.826%0.26248%0.481SS..Hα-helixtrans-67.4-36.5177.3-75.2172.2000112.8F11 R14 F15 Q74 S76 H80 T81F11-L78 HydrophobicContact CD2-CD1 4.04Å; F11-L78 HydrophobicContact CD2-CG 4.24Å; F11-L78 HydrophobicContact CE2-CD1 4.37Å; F11-L78 HydrophobicContact CE2-CG 4.12Å; R14-L78 HydrophobicContact CB-CD1 4.44Å; R14-L78 HydrophobicContact CB-CD2 3.51Å; R14-L78 HydrophobicContact CG-CD2 4.44Å; F15-L78 HydrophobicContact CD2-CD2 3.9Å; F15-L78 HydrophobicContact CE2-CD2 3.24Å; F15-L78 HydrophobicContact CE2-CG 3.72Å; F15-L78 HydrophobicContact CZ-CD2 3.65Å; F15-L78 HydrophobicContact CZ-CG 4.02Å; Q74-L78 VanDerWaalsContact O-CB 3.25Å; Q74-L78 WeakPolarHBondContact O-CB 3.31Å; Q74-L78 VanDerWaalsContact O-CG 3.24Å; Q74-L78 WeakPolarHBondContact O-CG 3.4Å; Q74-L78 PolarHBondContact O-N 3.04Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.13Å; L78-H80 VanDerWaalsContact C-N 3.27Å; L78-H80 PolarHBondContact O-N 3.19Å; L78-T81 WeakPolarHBondContact CA-OG1 3.1Å; L78-T81 CarbonylContact O-C 3.54Å; L78-T81 VanDerWaalsContact O-C 3.22Å; L78-T81 PolarHBondContact O-N 2.8Å; L78-T81 PolarHBondContact O-OG1 3.3Å
79G62.3Low55.8Low57 Ų5791.3 Ų91.359%0.58848%0.482SS*.Hα-helixtrans-66.9-28.1176.500000113E75 S76E75-G79 WeakPolarHBondContact O-CA 3.47Å; E75-G79 PolarHBondContact O-N 3.01Å; S76-G79 PolarHBondContact O-N 3.38Å
80H53.7Low55.1Low161 Ų16190.8 Ų90.875%0.74548%0.484SS*.Hα-helixtrans-79.4-26.6172.3-76.2-66.8000112.9S76 V77 L78 K82S76-H80 PolarHBondContact O-CD2 3.36Å; S76-H80 PolarHBondContact O-N 2.92Å; S76-H80 VanDerWaalsContact O-N 3.12Å; V77-H80 PolarHBondContact O-N 3.36Å; L78-H80 VanDerWaalsContact C-N 3.27Å; L78-H80 PolarHBondContact O-N 3.19Å; H80-K82 PolarHBondContact O-N 3.27Å
81T48.5Very low54.5Low57 Ų5796.1 Ų96.135%0.3551%0.512SS..  trans-85.580.7163.854.10000108.9F15 V77 L78 A83F15-T81 HydrophobicContact CD1-CG2 4.19Å; F15-T81 HydrophobicContact CE1-CG2 3.63Å; F15-T81 HydrophobicContact CZ-CG2 4.45Å; V77-T81 PolarHBondContact O-N 3.39Å; V77-T81 PolarHBondContact O-OG1 3.49Å; L78-T81 WeakPolarHBondContact CA-OG1 3.1Å; L78-T81 CarbonylContact O-C 3.54Å; L78-T81 VanDerWaalsContact O-C 3.22Å; L78-T81 PolarHBondContact O-N 2.8Å; L78-T81 PolarHBondContact O-OG1 3.3Å; T81-A83 PolarHBondContact O-N 3.14Å
82K43.3Very low53.8Low193 Ų19398.8 Ų98.884%0.83953%0.527SS*.  trans-56.993.6152.1-72.3-175.1-179.5-177.70105.8H80 P84H80-K82 PolarHBondContact O-N 3.27Å; K82-P84 VanDerWaalsContact O-N 3.15Å
83A43.2Very low52.9Low50 Ų5097 Ų9741%0.41353%0.531SS..  trans-47126.416300000104.7I17 T81 V85I17-A83 HydrophobicContact CD1-CB 4.09Å; T81-A83 PolarHBondContact O-N 3.14Å; A83-V85 PolarHBondContact O-N 2.9Å
84P40.1Very low51.8Low108 Ų108101.4 Ų101.470%0.70156%0.556SS**  trans-54.5115.7175.121-29.1000105.8K82 I86K82-P84 VanDerWaalsContact O-N 3.15Å; P84-I86 PolarHBondContact O-N 3.48Å
85V38.4Very low50.8Low124 Ų124107.9 Ų107.975%0.75259%0.593SS**  trans-60.3103.4162.8177.60000103.2A83 Q87A83-V85 PolarHBondContact O-N 2.9Å; V85-Q87 VanDerWaalsContact C-N 3.28Å; V85-Q87 HydrophobicContact CG1-CG 3.86Å; V85-Q87 PolarHBondContact O-N 3Å
86I34.9Very low49.5Very low157 Ų157106.6 Ų106.681%0.80559%0.594SS**  trans-64.7100.7165.4-59172.4000103.9P84P84-I86 PolarHBondContact O-N 3.48Å
87Q32Very low47.8Very low246 Ų246110.5 Ų110.5100%1.1561%0.607SS**  trans-89.90159.5-68.5-162.2-88.300108.6V85V85-Q87 VanDerWaalsContact C-N 3.28Å; V85-Q87 HydrophobicContact CG1-CG 3.86Å; V85-Q87 PolarHBondContact O-N 3Å

Retrieved 87 of 87 residues in 26.6 ms (Link to these results)

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