A0A3Q0KJH9_SCHMA Loading...

5'-nucleotidase

AlphaFold DB , UniProt , Accession A0A3Q0KJH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 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
1M44.5Very low47.2Very low117 Ų11796.8 Ų96.858%0.57646%0.458SS*.  0-60.20-150.3176.7-162.200113.4Y3 W4 I5 F32 Y36M1-Y3 PolarHBondContact O-N 3.48Å; M1-W4 PolarHBondContact O-N 3.48Å; M1-I5 HydrophobicContact CG-CD1 4.12Å; M1-I5 PolarHBondContact O-N 3.21Å; M1-F32 HydrophobicContact CE-CB 4.47Å; M1-F32 HydrophobicContact CE-CD1 4.05Å; M1-Y36 HydrophobicContact CE-CD2 4.44Å; M1-Y36 HydrophobicContact SD-CD2 4.28Å
2K43.8Very low47.3Very low189 Ų18991.6 Ų91.682%0.82243%0.432SS*.Hα-helixtrans-49.3-42.5175.1-85.7-174.8176.2179.50113.5G6K2-G6 WeakPolarHBondContact O-CA 3.31Å; K2-G6 PolarHBondContact O-N 3.08Å
3Y44.9Very low47.3Very low210 Ų21097.2 Ų97.282%0.82445%0.447SS*.Hα-helixtrans-67.2-36.3176.8-72.1-78.8000114M1 F7M1-Y3 PolarHBondContact O-N 3.48Å; Y3-F7 VanDerWaalsContact O-CB 3.22Å; Y3-F7 WeakPolarHBondContact O-CB 3.39Å; Y3-F7 PolarHBondContact O-N 3.19Å
4W46.4Very low47.3Very low154 Ų15496.6 Ų96.658%0.58346%0.459SS*.Hα-helixtrans-75.4-42.6-179.3-167.183.3000111.6M1 G6 F7 Q8 M27M1-W4 PolarHBondContact O-N 3.48Å; W4-G6 VanDerWaalsContact C-N 3.35Å; W4-F7 PolarHBondContact O-N 3.29Å; W4-Q8 HydrophobicContact CD2-CG 4.24Å; W4-Q8 HydrophobicContact CE3-CG 4.21Å; W4-Q8 HydrophobicContact CH2-CG 4.2Å; W4-Q8 HydrophobicContact CZ2-CG 4.22Å; W4-Q8 HydrophobicContact CZ3-CG 4.19Å; W4-Q8 WeakPolarHBondContact O-CB 3.35Å; W4-Q8 WeakPolarHBondContact O-CG 3.27Å; W4-Q8 PolarHBondContact O-N 3.43Å; W4-M27 HydrophobicContact CZ3-CE 4.18Å
5I51.3Low47.2Very low35 Ų35100.5 Ų100.518%0.17947%0.467CS..Hα-helixtrans-62.6-45170.9-65.3172.1000109.5M1 F7 Q8 L9 M27M1-I5 HydrophobicContact CG-CD1 4.12Å; M1-I5 PolarHBondContact O-N 3.21Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.22Å; I5-Q8 PolarHBondContact O-N 3.5Å; I5-L9 HydrophobicContact CG2-CD1 3.62Å; I5-L9 HydrophobicContact CG2-CG 4.15Å; I5-L9 VanDerWaalsContact O-CB 3.23Å; I5-L9 WeakPolarHBondContact O-CB 3.49Å; I5-L9 WeakPolarHBondContact O-CG 3.46Å; I5-L9 PolarHBondContact O-N 3.36Å; I5-M27 HydrophobicContact CG1-CE 4.21Å
6G48.7Very low47.2Very low36 Ų3694.6 Ų94.637%0.37144%0.442SS..Hα-helixtrans-59.1-41175.700000113.3K2 W4 L9 S10K2-G6 WeakPolarHBondContact O-CA 3.31Å; K2-G6 PolarHBondContact O-N 3.08Å; W4-G6 VanDerWaalsContact C-N 3.35Å; G6-L9 PolarHBondContact O-N 3.45Å; G6-S10 PolarHBondContact O-N 3.35Å
7F48.9Very low47.4Very low121 Ų12191 Ų9153%0.53143%0.429SS..Hα-helixtrans-69.7-45.2177.5-177.8-100.1000112.5Y3 W4 I5 L9 S10 L11Y3-F7 VanDerWaalsContact O-CB 3.22Å; Y3-F7 WeakPolarHBondContact O-CB 3.39Å; Y3-F7 PolarHBondContact O-N 3.19Å; W4-F7 PolarHBondContact O-N 3.29Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.22Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.16Å; F7-S10 PolarHBondContact O-N 3.48Å; F7-S10 PolarHBondContact O-OG 3.41Å; F7-S10 VanDerWaalsContact O-OG 3.07Å; F7-L11 HydrophobicContact CD1-CD1 4.28Å; F7-L11 HydrophobicContact CE1-CD1 3.63Å; F7-L11 HydrophobicContact CE2-CD1 4.21Å; F7-L11 HydrophobicContact CZ-CD1 3.59Å; F7-L11 PolarHBondContact O-N 3.11Å
8Q47.4Very low47.5Very low46 Ų4690.2 Ų90.222%0.21543%0.428CS..Hα-helixtrans-60.2-45173.2-72.9-69.3-37.400110.3W4 I5 S10 L11 F12 F23W4-Q8 HydrophobicContact CD2-CG 4.24Å; W4-Q8 HydrophobicContact CE3-CG 4.21Å; W4-Q8 HydrophobicContact CH2-CG 4.2Å; W4-Q8 HydrophobicContact CZ2-CG 4.22Å; W4-Q8 HydrophobicContact CZ3-CG 4.19Å; W4-Q8 WeakPolarHBondContact O-CB 3.35Å; W4-Q8 WeakPolarHBondContact O-CG 3.27Å; W4-Q8 PolarHBondContact O-N 3.43Å; I5-Q8 PolarHBondContact O-N 3.5Å; Q8-S10 VanDerWaalsContact C-N 3.34Å; Q8-S10 PolarHBondContact O-N 2.86Å; Q8-L11 WeakPolarHBondContact O-CB 3.36Å; Q8-L11 PolarHBondContact O-N 3.2Å; Q8-L11 VanDerWaalsContact O-N 3.13Å; Q8-F12 WeakPolarHBondContact O-CD2 3.47Å; Q8-F12 PolarHBondContact O-N 3.39Å; Q8-F23 HydrophobicContact CB-CE2 3.85Å; Q8-F23 HydrophobicContact CB-CZ 4.26Å; Q8-F23 HydrophobicContact CG-CE2 4.47Å
9L48.2Very low47.7Very low28 Ų2886.4 Ų86.415%0.14741%0.412CS..Hα-helixtrans-61.2-38.1176.7-73.5171.8000112.9I5 G6 F7 L11 F12 R13 F23 L47I5-L9 HydrophobicContact CG2-CD1 3.62Å; I5-L9 HydrophobicContact CG2-CG 4.15Å; I5-L9 VanDerWaalsContact O-CB 3.23Å; I5-L9 WeakPolarHBondContact O-CB 3.49Å; I5-L9 WeakPolarHBondContact O-CG 3.46Å; I5-L9 PolarHBondContact O-N 3.36Å; G6-L9 PolarHBondContact O-N 3.45Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.16Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-F12 PolarHBondContact O-N 2.85Å; L9-R13 WeakPolarHBondContact O-CB 3.49Å; L9-R13 VanDerWaalsContact O-CG 3.27Å; L9-R13 WeakPolarHBondContact O-CG 3.34Å; L9-R13 PolarHBondContact O-N 2.84Å; L9-F23 HydrophobicContact CD2-CD1 4.41Å; L9-F23 HydrophobicContact CD2-CE1 4.03Å; L9-L47 HydrophobicContact CD1-CD1 4.28Å; L9-L47 HydrophobicContact CD2-CD1 3.33Å; L9-L47 HydrophobicContact CD2-CD2 3.94Å; L9-L47 HydrophobicContact CD2-CG 4.27Å; L9-L47 HydrophobicContact CG-CD1 4.46Å
10S48.9Very low47.9Very low64 Ų6483.3 Ų83.345%0.44840%0.397SS..Hα-helixtrans-68.1-36.7175.280.40000111.8G6 F7 Q8 F12 S14G6-S10 PolarHBondContact O-N 3.35Å; F7-S10 PolarHBondContact O-N 3.48Å; F7-S10 PolarHBondContact O-OG 3.41Å; F7-S10 VanDerWaalsContact O-OG 3.07Å; Q8-S10 VanDerWaalsContact C-N 3.34Å; Q8-S10 PolarHBondContact O-N 2.86Å; S10-F12 VanDerWaalsContact C-N 3.34Å; S10-S14 PolarHBondContact O-N 2.87Å
11L46.3Very low48Very low65 Ų6585.6 Ų85.634%0.3441%0.406SS..Hα-helixtrans-66.1-35176.2-124.8105000112.8F7 Q8 L9 S14F7-L11 HydrophobicContact CD1-CD1 4.28Å; F7-L11 HydrophobicContact CE1-CD1 3.63Å; F7-L11 HydrophobicContact CE2-CD1 4.21Å; F7-L11 HydrophobicContact CZ-CD1 3.59Å; F7-L11 PolarHBondContact O-N 3.11Å; Q8-L11 WeakPolarHBondContact O-CB 3.36Å; Q8-L11 PolarHBondContact O-N 3.2Å; Q8-L11 VanDerWaalsContact O-N 3.13Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-S14 PolarHBondContact O-OG 2.96Å
12F48.8Very low48.4Very low34 Ų3483.1 Ų83.115%0.14940%0.397CS..Hα-helixtrans-83.5-30.4178.1-78.2-71.2000112.6Q8 L9 S10 S14 R15 G16 S19 I20 F23Q8-F12 WeakPolarHBondContact O-CD2 3.47Å; Q8-F12 PolarHBondContact O-N 3.39Å; L9-F12 PolarHBondContact O-N 2.85Å; S10-F12 VanDerWaalsContact C-N 3.34Å; F12-S14 PolarHBondContact O-N 2.96Å; F12-R15 PolarHBondContact O-N 2.91Å; F12-G16 PolarHBondContact O-N 2.86Å; F12-S19 WeakPolarHBondContact CD1-O 2.94Å; F12-S19 WeakPolarHBondContact CD1-OG 3.28Å; F12-S19 PolarHBondContact O-OG 2.87Å; F12-S19 VanDerWaalsContact O-OG 3.06Å; F12-I20 HydrophobicContact CB-CG1 4.29Å; F12-F23 HydrophobicContact CD1-CB 4.47Å; F12-F23 HydrophobicContact CD2-CB 4.1Å; F12-F23 AromaticContact CD2-CD2 3.67Å; F12-F23 HydrophobicContact CD2-CD2 3.67Å; F12-F23 HydrophobicContact CD2-CE2 4.33Å; F12-F23 HydrophobicContact CD2-CG 4.05Å; F12-F23 HydrophobicContact CE1-CB 4.47Å; F12-F23 HydrophobicContact CE2-CB 4.16Å; F12-F23 AromaticContact CE2-CD2 3.44Å; F12-F23 HydrophobicContact CE2-CD2 3.44Å; F12-F23 VanDerWaalsContact CE2-CD2 3.44Å; F12-F23 HydrophobicContact CE2-CE2 4.18Å; F12-F23 HydrophobicContact CE2-CG 4.14Å; F12-F23 HydrophobicContact CG-CB 4.3Å; F12-F23 HydrophobicContact CZ-CB 4.33Å; F12-F23 HydrophobicContact CZ-CD2 4.21Å
13R46.8Very low49Very low165 Ų16575.3 Ų75.362%0.62336%0.363SS*.Hα-helixtrans-58.5-28.3171.1-83.6178.4179.7-169.6-1.7113.2L9 R15L9-R13 WeakPolarHBondContact O-CB 3.49Å; L9-R13 VanDerWaalsContact O-CG 3.27Å; L9-R13 WeakPolarHBondContact O-CG 3.34Å; L9-R13 PolarHBondContact O-N 2.84Å; R13-R15 VanDerWaalsContact C-N 3.27Å
14S46.9Very low49.5Very low88 Ų8867 Ų6762%0.61534%0.338SS*.THydrogen-bonded Turntrans-87.210.9175.3710000113.7S10 L11 F12S10-S14 PolarHBondContact O-N 2.87Å; L11-S14 PolarHBondContact O-OG 2.96Å; F12-S14 PolarHBondContact O-N 2.96Å
15R46.4Very low49.9Very low156 Ų15665.2 Ų65.259%0.58934%0.336SS*.THydrogen-bonded Turntrans-13516.3-175.9-66.7-173177.1-166.8-1.2113.2F12 R13 S19 E363F12-R15 PolarHBondContact O-N 2.91Å; R13-R15 VanDerWaalsContact C-N 3.27Å; R15-S19 VanDerWaalsContact C-OG 3.31Å; R15-S19 WeakPolarHBondContact CB-OG 3.45Å; R15-S19 WeakPolarHBondContact O-CB 3.18Å; R15-S19 PolarHBondContact O-OG 3.01Å; R15-E363 VanDerWaalsContact C-C 3.47Å; R15-E363 CarbonylContact C-O 3.5Å; R15-E363 WeakPolarHBondContact CA-O 3.46Å
16G47.5Very low50Low6 Ų670.9 Ų70.96%0.06236%0.36CS..Hα-helixtrans79.9167.7171.200000116.3F12 N18 S19 I20 E363F12-G16 PolarHBondContact O-N 2.86Å; G16-N18 VanDerWaalsContact C-N 3.35Å; G16-N18 PolarHBondContact O-N 3.45Å; G16-S19 WeakPolarHBondContact O-CB 3.39Å; G16-S19 PolarHBondContact O-N 3.37Å; G16-S19 VanDerWaalsContact O-N 3.16Å; G16-S19 PolarHBondContact O-OG 2.97Å; G16-I20 PolarHBondContact O-N 3.45Å; G16-E363 WeakPolarHBondContact CA-O 3.49Å; G16-E363 WeakPolarHBondContact CA-OXT 3.48Å; G16-E363 PolarHBondContact N-O 3.47Å; G16-E363 PolarHBondContact N-OXT 3.31Å
17P50.6Low50.3Low33 Ų3370.6 Ų70.621%0.21435%0.349CS..Hα-helixtrans-65.6-30.1-174.522.3-24.8000113.7S19 I20 K21 I51 H361P17-S19 VanDerWaalsContact C-N 3.3Å; P17-S19 PolarHBondContact O-N 2.97Å; P17-I20 WeakPolarHBondContact O-CB 3.27Å; P17-I20 PolarHBondContact O-N 2.93Å; P17-K21 PolarHBondContact O-N 3.1Å; P17-K21 VanDerWaalsContact O-N 3.09Å; P17-I51 HydrophobicContact CB-CD1 4.25Å; P17-I51 HydrophobicContact CB-CG2 3.79Å; P17-H361 WeakPolarHBondContact CD-O 3.43Å; P17-H361 WeakPolarHBondContact CG-O 3.26Å
18N49.3Very low50.5Low77 Ų7768.9 Ų68.941%0.41235%0.352SS..Hα-helixtrans-63.7-37.7173.3-86.7-26.3000112G16 I20 K21 V22G16-N18 VanDerWaalsContact C-N 3.35Å; G16-N18 PolarHBondContact O-N 3.45Å; N18-I20 PolarHBondContact O-N 3.29Å; N18-K21 PolarHBondContact O-N 3.16Å; N18-V22 WeakPolarHBondContact O-CG2 3.23Å; N18-V22 PolarHBondContact O-N 3.01Å; N18-V22 VanDerWaalsContact O-N 3.09Å
19S50.3Low50.8Low18 Ų1869.9 Ų69.913%0.12638%0.375CS..Hα-helixtrans-67.2-29.1177.182.60000112.2F12 R15 G16 P17 F23F12-S19 WeakPolarHBondContact CD1-O 2.94Å; F12-S19 WeakPolarHBondContact CD1-OG 3.28Å; F12-S19 PolarHBondContact O-OG 2.87Å; F12-S19 VanDerWaalsContact O-OG 3.06Å; R15-S19 VanDerWaalsContact C-OG 3.31Å; R15-S19 WeakPolarHBondContact CB-OG 3.45Å; R15-S19 WeakPolarHBondContact O-CB 3.18Å; R15-S19 PolarHBondContact O-OG 3.01Å; G16-S19 WeakPolarHBondContact O-CB 3.39Å; G16-S19 PolarHBondContact O-N 3.37Å; G16-S19 VanDerWaalsContact O-N 3.16Å; G16-S19 PolarHBondContact O-OG 2.97Å; P17-S19 VanDerWaalsContact C-N 3.3Å; P17-S19 PolarHBondContact O-N 2.97Å; S19-F23 PolarHBondContact O-N 2.97Å
20I51.2Low51.1Low23 Ų2370 Ų7012%0.11838%0.378CS..Hα-helixtrans-72.2-39174.6-61.4172.1000111.3F12 G16 P17 N18 F23 A24 I51F12-I20 HydrophobicContact CB-CG1 4.29Å; G16-I20 PolarHBondContact O-N 3.45Å; P17-I20 WeakPolarHBondContact O-CB 3.27Å; P17-I20 PolarHBondContact O-N 2.93Å; N18-I20 PolarHBondContact O-N 3.29Å; I20-F23 WeakPolarHBondContact O-CB 3.21Å; I20-F23 PolarHBondContact O-N 3.49Å; I20-A24 PolarHBondContact O-N 3.29Å; I20-I51 HydrophobicContact CB-CD1 4.22Å; I20-I51 HydrophobicContact CD1-CD1 3.61Å; I20-I51 HydrophobicContact CD1-CG1 4.15Å; I20-I51 HydrophobicContact CG2-CD1 4.03Å
21K51.1Low51.3Low133 Ų13372.2 Ų72.258%0.57839%0.391SS*.Hα-helixtrans-61.8-45.8173.6-168.4-178.7177.1-174.50111.3P17 N18 F23 A24 E25P17-K21 PolarHBondContact O-N 3.1Å; P17-K21 VanDerWaalsContact O-N 3.09Å; N18-K21 PolarHBondContact O-N 3.16Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.44Å; K21-A24 PolarHBondContact O-N 3.23Å; K21-A24 VanDerWaalsContact O-N 3.15Å; K21-E25 PolarHBondContact O-N 3.2Å
22V53.6Low51.6Low65 Ų6574.6 Ų74.639%0.39440%0.399SS..Hα-helixtrans-60.6-36.7174.21740000111.5N18 K26N18-V22 WeakPolarHBondContact O-CG2 3.23Å; N18-V22 PolarHBondContact O-N 3.01Å; N18-V22 VanDerWaalsContact O-N 3.09Å; V22-K26 HydrophobicContact CG1-CD 4.37Å; V22-K26 WeakPolarHBondContact O-CB 3.06Å; V22-K26 WeakPolarHBondContact O-CG 3.43Å; V22-K26 PolarHBondContact O-N 2.85Å
23F55.9Low51.6Low24 Ų2474.9 Ų74.911%0.10540%0.403CS..Hα-helixtrans-65.1-44.1174177.1-100.2000112.4Q8 L9 F12 S19 I20 K21 E25 K26 M27Q8-F23 HydrophobicContact CB-CE2 3.85Å; Q8-F23 HydrophobicContact CB-CZ 4.26Å; Q8-F23 HydrophobicContact CG-CE2 4.47Å; L9-F23 HydrophobicContact CD2-CD1 4.41Å; L9-F23 HydrophobicContact CD2-CE1 4.03Å; F12-F23 HydrophobicContact CD1-CB 4.47Å; F12-F23 HydrophobicContact CD2-CB 4.1Å; F12-F23 AromaticContact CD2-CD2 3.67Å; F12-F23 HydrophobicContact CD2-CD2 3.67Å; F12-F23 HydrophobicContact CD2-CE2 4.33Å; F12-F23 HydrophobicContact CD2-CG 4.05Å; F12-F23 HydrophobicContact CE1-CB 4.47Å; F12-F23 HydrophobicContact CE2-CB 4.16Å; F12-F23 AromaticContact CE2-CD2 3.44Å; F12-F23 HydrophobicContact CE2-CD2 3.44Å; F12-F23 VanDerWaalsContact CE2-CD2 3.44Å; F12-F23 HydrophobicContact CE2-CE2 4.18Å; F12-F23 HydrophobicContact CE2-CG 4.14Å; F12-F23 HydrophobicContact CG-CB 4.3Å; F12-F23 HydrophobicContact CZ-CB 4.33Å; F12-F23 HydrophobicContact CZ-CD2 4.21Å; S19-F23 PolarHBondContact O-N 2.97Å; I20-F23 WeakPolarHBondContact O-CB 3.21Å; I20-F23 PolarHBondContact O-N 3.49Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.44Å; F23-E25 VanDerWaalsContact C-N 3.32Å; F23-E25 PolarHBondContact O-N 3.26Å; F23-K26 PolarHBondContact O-N 3.48Å; F23-M27 HydrophobicContact CD1-CG 4.28Å; F23-M27 HydrophobicContact CD2-CG 4.42Å; F23-M27 HydrophobicContact CE1-CE 4.14Å; F23-M27 HydrophobicContact CE1-CG 3.83Å; F23-M27 HydrophobicContact CE2-CE 3.87Å; F23-M27 HydrophobicContact CE2-CG 3.99Å; F23-M27 HydrophobicContact CZ-CE 3.32Å; F23-M27 HydrophobicContact CZ-CG 3.7Å; F23-M27 HydrophobicContact CZ-SD 4.36Å; F23-M27 WeakPolarHBondContact O-CB 3.46Å; F23-M27 PolarHBondContact O-N 3.09Å
24A54.1Low52Low36 Ų3675.2 Ų75.230%0.29841%0.411SS..Hα-helixtrans-60.8-41.8176.700000111.7I20 K21 M27 S28I20-A24 PolarHBondContact O-N 3.29Å; K21-A24 PolarHBondContact O-N 3.23Å; K21-A24 VanDerWaalsContact O-N 3.15Å; A24-M27 PolarHBondContact O-N 3.08Å; A24-S28 PolarHBondContact O-N 2.86Å; A24-S28 VanDerWaalsContact O-N 3.09Å
25E55.1Low52.5Low117 Ų11777.1 Ų77.155%0.54741%0.41SS..Hα-helixtrans-67.9-39.4175.3-72.3174.3-177.200112.9K21 F23 M27 S28K21-E25 PolarHBondContact O-N 3.2Å; F23-E25 VanDerWaalsContact C-N 3.32Å; F23-E25 PolarHBondContact O-N 3.26Å; E25-M27 VanDerWaalsContact C-N 3.34Å; E25-S28 PolarHBondContact O-N 3.12Å; E25-S28 PolarHBondContact O-OG 3.4Å
26K54.2Low52.9Low154 Ų15475.6 Ų75.667%0.6741%0.406SS*.Hα-helixtrans-67.6-35.3174.2-81.1-176.6176.6179.50112.5V22 F23V22-K26 HydrophobicContact CG1-CD 4.37Å; V22-K26 WeakPolarHBondContact O-CB 3.06Å; V22-K26 WeakPolarHBondContact O-CG 3.43Å; V22-K26 PolarHBondContact O-N 2.85Å; F23-K26 PolarHBondContact O-N 3.48Å
27M54.1Low53.2Low29 Ų2978.6 Ų78.614%0.14342%0.424CS..Hα-helixtrans-69.2-36.5177.8-87.4-71.6-156.900111.9W4 I5 F23 A24 E25 G29 S30 V33W4-M27 HydrophobicContact CZ3-CE 4.18Å; I5-M27 HydrophobicContact CG1-CE 4.21Å; F23-M27 HydrophobicContact CD1-CG 4.28Å; F23-M27 HydrophobicContact CD2-CG 4.42Å; F23-M27 HydrophobicContact CE1-CE 4.14Å; F23-M27 HydrophobicContact CE1-CG 3.83Å; F23-M27 HydrophobicContact CE2-CE 3.87Å; F23-M27 HydrophobicContact CE2-CG 3.99Å; F23-M27 HydrophobicContact CZ-CE 3.32Å; F23-M27 HydrophobicContact CZ-CG 3.7Å; F23-M27 HydrophobicContact CZ-SD 4.36Å; F23-M27 WeakPolarHBondContact O-CB 3.46Å; F23-M27 PolarHBondContact O-N 3.09Å; A24-M27 PolarHBondContact O-N 3.08Å; E25-M27 VanDerWaalsContact C-N 3.34Å; M27-G29 PolarHBondContact O-N 2.98Å; M27-S30 VanDerWaalsContact O-CB 3.28Å; M27-S30 WeakPolarHBondContact O-CB 3.44Å; M27-S30 PolarHBondContact O-N 3.46Å; M27-S30 VanDerWaalsContact O-N 3.08Å; M27-V33 WeakPolarHBondContact O-CG2 3.45Å
28S54.6Low53.6Low85 Ų8583.1 Ų83.159%0.59444%0.442SS*.Hα-helixtrans-65.5-22.9-17964.30000114A24 E25A24-S28 PolarHBondContact O-N 2.86Å; A24-S28 VanDerWaalsContact O-N 3.09Å; E25-S28 PolarHBondContact O-N 3.12Å; E25-S28 PolarHBondContact O-OG 3.4Å
29G53.3Low53.9Low68 Ų6884.6 Ų84.670%0.70145%0.449SS*.THydrogen-bonded Turntrans-90-2.1173.700000115.4M27M27-G29 PolarHBondContact O-N 2.98Å
30S53.4Low54.2Low30 Ų3085.5 Ų85.521%0.2145%0.451CS..SBendtrans-79.2138.4-176177.60000111.7M27 F32 V33M27-S30 VanDerWaalsContact O-CB 3.28Å; M27-S30 WeakPolarHBondContact O-CB 3.44Å; M27-S30 PolarHBondContact O-N 3.46Å; M27-S30 VanDerWaalsContact O-N 3.08Å; S30-F32 PolarHBondContact O-N 3.13Å; S30-F32 WeakPolarHBondContact OG-CD2 3.38Å; S30-F32 PolarHBondContact OG-N 3.3Å; S30-V33 WeakPolarHBondContact O-CB 3.34Å; S30-V33 WeakPolarHBondContact O-CG2 3.48Å; S30-V33 PolarHBondContact O-N 2.92Å
31P54Low54.7Low111 Ų11188.4 Ų88.472%0.72147%0.466SS*.G310 helixtrans-55.1-23.6175.7-23.832.8000113.8V33P31-V33 PolarHBondContact O-N 2.96Å
32F51.6Low55.3Low115 Ų11586.4 Ų86.450%0.50446%0.462SS..G310 helixtrans-68.5-15178.6-71.2-82.4000114.3M1 S30 H34 E35M1-F32 HydrophobicContact CE-CB 4.47Å; M1-F32 HydrophobicContact CE-CD1 4.05Å; S30-F32 PolarHBondContact O-N 3.13Å; S30-F32 WeakPolarHBondContact OG-CD2 3.38Å; S30-F32 PolarHBondContact OG-N 3.3Å; F32-H34 PolarHBondContact O-N 3.41Å; F32-E35 PolarHBondContact O-N 2.91Å
33V50.3Low55.8Low39 Ų3984.9 Ų84.924%0.23646%0.456CS..G310 helixtrans-58.4-30.5178.31730000111.7M27 S30 P31 E35M27-V33 WeakPolarHBondContact O-CG2 3.45Å; S30-V33 WeakPolarHBondContact O-CB 3.34Å; S30-V33 WeakPolarHBondContact O-CG2 3.48Å; S30-V33 PolarHBondContact O-N 2.92Å; P31-V33 PolarHBondContact O-N 2.96Å; V33-E35 PolarHBondContact O-N 3.12Å
34H54.1Low56.2Low173 Ų17386.6 Ų86.680%0.80147%0.468SS*.G310 helixtrans-73.6-24.7-178-73.1-64.2000114.1F32F32-H34 PolarHBondContact O-N 3.41Å
35E56.8Low56.7Low128 Ų12888.9 Ų88.960%0.59848%0.476SS*.THydrogen-bonded Turntrans-85.4-32.2-173.8-82-174.915600114.1F32 V33F32-E35 PolarHBondContact O-N 2.91Å; V33-E35 PolarHBondContact O-N 3.12Å
36Y56.2Low57.2Low124 Ų12488.4 Ų88.449%0.48648%0.477SS..  trans-146.761.7-174.3-60.4-75.6000115.1M1 Q38 I39M1-Y36 HydrophobicContact CE-CD2 4.44Å; M1-Y36 HydrophobicContact SD-CD2 4.28Å; Y36-Q38 PolarHBondContact O-N 2.99Å; Y36-I39 HydrophobicContact CD1-CD1 4.25Å; Y36-I39 HydrophobicContact CG-CD1 4.48Å; Y36-I39 PolarHBondContact O-N 3.14Å
37P54.3Low57.8Low69 Ų6981.9 Ų81.945%0.44845%0.449SS..Hα-helixtrans-60.2-38.2-174.619.9-30.8000114.1I39 Q40 I41P37-I39 PolarHBondContact O-N 2.67Å; P37-Q40 PolarHBondContact O-N 3.46Å; P37-I41 WeakPolarHBondContact O-CG1 3.48Å; P37-I41 PolarHBondContact O-N 2.94Å; P37-I41 VanDerWaalsContact O-N 3.08Å
38Q57.3Low58.4Low128 Ų12883.7 Ų83.760%0.59846%0.462SS*.Hα-helixtrans-68.3-35.8-176.5-73.8-65-15.200114.1Y36 Q40 N42Y36-Q38 PolarHBondContact O-N 2.99Å; Q38-Q40 VanDerWaalsContact C-N 3.3Å; Q38-Q40 PolarHBondContact O-N 2.99Å; Q38-N42 PolarHBondContact O-N 2.87Å; Q38-N42 PolarHBondContact O-ND2 2.94Å
39I56.7Low59.2Low108 Ų10882.9 Ų82.955%0.55445%0.454SS*.Hα-helixtrans-68-36179-62176.7000110Y36 P37 A43Y36-I39 HydrophobicContact CD1-CD1 4.25Å; Y36-I39 HydrophobicContact CG-CD1 4.48Å; Y36-I39 PolarHBondContact O-N 3.14Å; P37-I39 PolarHBondContact O-N 2.67Å; I39-A43 WeakPolarHBondContact O-CB 3.47Å; I39-A43 PolarHBondContact O-N 2.94Å; I39-A43 VanDerWaalsContact O-N 3.11Å
40Q56.9Low60.2Low37 Ų3782.9 Ų82.917%0.17344%0.44CS..Hα-helixtrans-71-44.7176.8-75.3-174.2-16.700112.3P37 Q38 N42 A43 V44P37-Q40 PolarHBondContact O-N 3.46Å; Q38-Q40 VanDerWaalsContact C-N 3.3Å; Q38-Q40 PolarHBondContact O-N 2.99Å; Q40-N42 VanDerWaalsContact C-N 3.33Å; Q40-N42 PolarHBondContact O-N 3.46Å; Q40-A43 PolarHBondContact O-N 3.39Å; Q40-A43 VanDerWaalsContact O-N 3.16Å; Q40-V44 VanDerWaalsContact O-CG2 3.31Å; Q40-V44 WeakPolarHBondContact O-CG2 3.41Å; Q40-V44 PolarHBondContact O-N 3.34Å
41I61.1Low61Low83 Ų8383.3 Ų83.343%0.42644%0.439SS..Hα-helixtrans-57.3-47.6177.8-67.9166.2000110.6P37 A43 V44 N45P37-I41 WeakPolarHBondContact O-CG1 3.48Å; P37-I41 PolarHBondContact O-N 2.94Å; P37-I41 VanDerWaalsContact O-N 3.08Å; I41-A43 PolarHBondContact O-N 3.32Å; I41-V44 PolarHBondContact O-N 2.93Å; I41-N45 WeakPolarHBondContact O-CB 3.33Å; I41-N45 PolarHBondContact O-N 2.95Å; I41-N45 PolarHBondContact O-ND2 3.45Å
42N64.5Low61.9Low91 Ų9182.7 Ų82.749%0.48743%0.427SS..Hα-helixtrans-64.6-39178.2-73-22.8000112.4Q38 Q40 N46Q38-N42 PolarHBondContact O-N 2.87Å; Q38-N42 PolarHBondContact O-ND2 2.94Å; Q40-N42 VanDerWaalsContact C-N 3.33Å; Q40-N42 PolarHBondContact O-N 3.46Å; N42-N46 VanDerWaalsContact O-CB 3.27Å; N42-N46 WeakPolarHBondContact O-CB 3.3Å; N42-N46 PolarHBondContact O-N 3.46Å; N42-N46 PolarHBondContact O-ND2 3.07Å
43A64Low63.1Low33 Ų3381 Ų8127%0.27342%0.423SS..Hα-helixtrans-64.4-45.6176.400000111.7I39 Q40 I41 N46 L47I39-A43 WeakPolarHBondContact O-CB 3.47Å; I39-A43 PolarHBondContact O-N 2.94Å; I39-A43 VanDerWaalsContact O-N 3.11Å; Q40-A43 PolarHBondContact O-N 3.39Å; Q40-A43 VanDerWaalsContact O-N 3.16Å; I41-A43 PolarHBondContact O-N 3.32Å; A43-N46 PolarHBondContact O-N 3.5Å; A43-L47 WeakPolarHBondContact O-CB 3.47Å; A43-L47 VanDerWaalsContact O-CD1 3.23Å; A43-L47 WeakPolarHBondContact O-CD1 3.38Å; A43-L47 WeakPolarHBondContact O-CG 3.42Å; A43-L47 PolarHBondContact O-N 2.85Å
44V63.8Low64.4Low61 Ų6182 Ų8237%0.3743%0.43SS..Hα-helixtrans-62.6-49.4177.1173.10000110.6Q40 I41 N46 L47 T48Q40-V44 VanDerWaalsContact O-CG2 3.31Å; Q40-V44 WeakPolarHBondContact O-CG2 3.41Å; Q40-V44 PolarHBondContact O-N 3.34Å; I41-V44 PolarHBondContact O-N 2.93Å; V44-N46 PolarHBondContact O-N 2.8Å; V44-L47 WeakPolarHBondContact O-CB 3.19Å; V44-L47 PolarHBondContact O-N 2.83Å; V44-L47 VanDerWaalsContact O-N 3.12Å; V44-T48 PolarHBondContact O-N 2.75Å; V44-T48 PolarHBondContact O-OG1 3.28Å; V44-T48 VanDerWaalsContact O-OG1 3.08Å
45N63.9Low65.5Low84 Ų8474.6 Ų74.645%0.44940%0.396SS..Hα-helixtrans-58.4-46.7177.9-71.2-14.3000111.5I41 L47 T48 T49I41-N45 WeakPolarHBondContact O-CB 3.33Å; I41-N45 PolarHBondContact O-N 2.95Å; I41-N45 PolarHBondContact O-ND2 3.45Å; N45-L47 VanDerWaalsContact C-N 3.29Å; N45-L47 PolarHBondContact O-N 3.33Å; N45-T48 PolarHBondContact O-N 2.94Å; N45-T49 WeakPolarHBondContact O-CB 3.41Å; N45-T49 PolarHBondContact O-N 2.89Å; N45-T49 PolarHBondContact O-OG1 3.34Å
46N67.2Low66.6Low107 Ų10772.8 Ų72.857%0.57239%0.387SS*.Hα-helixtrans-61.8-37.2177.3-73.4-20.6000112.4N42 A43 V44 T50N42-N46 VanDerWaalsContact O-CB 3.27Å; N42-N46 WeakPolarHBondContact O-CB 3.3Å; N42-N46 PolarHBondContact O-N 3.46Å; N42-N46 PolarHBondContact O-ND2 3.07Å; A43-N46 PolarHBondContact O-N 3.5Å; V44-N46 PolarHBondContact O-N 2.8Å; N46-T50 WeakPolarHBondContact O-CB 3.49Å; N46-T50 PolarHBondContact O-N 2.93Å; N46-T50 PolarHBondContact O-OG1 3.46Å
47L65.4Low67.8Low17 Ų1772.4 Ų72.49%0.08939%0.391CS..Hα-helixtrans-67.5-47.2175.6-73.9156.7000111.5L9 A43 V44 N45 T49 T50 I51L9-L47 HydrophobicContact CD1-CD1 4.28Å; L9-L47 HydrophobicContact CD2-CD1 3.33Å; L9-L47 HydrophobicContact CD2-CD2 3.94Å; L9-L47 HydrophobicContact CD2-CG 4.27Å; L9-L47 HydrophobicContact CG-CD1 4.46Å; A43-L47 WeakPolarHBondContact O-CB 3.47Å; A43-L47 VanDerWaalsContact O-CD1 3.23Å; A43-L47 WeakPolarHBondContact O-CD1 3.38Å; A43-L47 WeakPolarHBondContact O-CG 3.42Å; A43-L47 PolarHBondContact O-N 2.85Å; V44-L47 WeakPolarHBondContact O-CB 3.19Å; V44-L47 PolarHBondContact O-N 2.83Å; V44-L47 VanDerWaalsContact O-N 3.12Å; N45-L47 VanDerWaalsContact C-N 3.29Å; N45-L47 PolarHBondContact O-N 3.33Å; L47-T49 VanDerWaalsContact C-N 3.35Å; L47-T49 PolarHBondContact O-N 2.92Å; L47-T50 WeakPolarHBondContact O-CB 3.41Å; L47-T50 PolarHBondContact O-N 3.41Å; L47-T50 VanDerWaalsContact O-N 3.12Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 3.24Å
48T68Low69.1Low66 Ų6671.3 Ų71.341%0.40538%0.383SS..Hα-helixtrans-57.9-47.9177.5-57.80000111V44 N45 T50 I51 Q52V44-T48 PolarHBondContact O-N 2.75Å; V44-T48 PolarHBondContact O-OG1 3.28Å; V44-T48 VanDerWaalsContact O-OG1 3.08Å; N45-T48 PolarHBondContact O-N 2.94Å; T48-T50 VanDerWaalsContact C-N 3.32Å; T48-T50 PolarHBondContact O-N 3.3Å; T48-I51 PolarHBondContact O-N 3.01Å; T48-Q52 WeakPolarHBondContact O-CG 3.32Å; T48-Q52 PolarHBondContact O-N 2.9Å
49T71.5Confident70.4Confident69 Ų6965.3 Ų65.342%0.42336%0.355SS..Hα-helixtrans-60.5-40.8175.3-55.20000111.7N45 L47 Q52 N53N45-T49 WeakPolarHBondContact O-CB 3.41Å; N45-T49 PolarHBondContact O-N 2.89Å; N45-T49 PolarHBondContact O-OG1 3.34Å; L47-T49 VanDerWaalsContact C-N 3.35Å; L47-T49 PolarHBondContact O-N 2.92Å; T49-Q52 PolarHBondContact O-N 2.78Å; T49-N53 WeakPolarHBondContact O-CB 3.49Å; T49-N53 PolarHBondContact O-N 3.37Å; T49-N53 PolarHBondContact O-ND2 2.74Å; T49-N53 PolarHBondContact O-OD1 2.96Å
50T72.8Confident71.7Confident67 Ų6762.1 Ų62.141%0.41134%0.343SS..Hα-helixtrans-63.5-45.7178.1-56.90000111.3N46 L47 T48 N53 T54N46-T50 WeakPolarHBondContact O-CB 3.49Å; N46-T50 PolarHBondContact O-N 2.93Å; N46-T50 PolarHBondContact O-OG1 3.46Å; L47-T50 WeakPolarHBondContact O-CB 3.41Å; L47-T50 PolarHBondContact O-N 3.41Å; L47-T50 VanDerWaalsContact O-N 3.12Å; T48-T50 VanDerWaalsContact C-N 3.32Å; T48-T50 PolarHBondContact O-N 3.3Å; T50-N53 PolarHBondContact O-N 3.1Å; T50-T54 PolarHBondContact O-N 3.4Å; T50-T54 PolarHBondContact O-OG1 3.49Å; T50-T54 VanDerWaalsContact O-OG1 3.07Å
51I70Confident73.1Confident39 Ų3964 Ų6420%0.236%0.357CS..Hα-helixtrans-61.2-47.1177.9-67.6163.3000110.5P17 I20 L47 T48 N53 T54 L55P17-I51 HydrophobicContact CB-CD1 4.25Å; P17-I51 HydrophobicContact CB-CG2 3.79Å; I20-I51 HydrophobicContact CB-CD1 4.22Å; I20-I51 HydrophobicContact CD1-CD1 3.61Å; I20-I51 HydrophobicContact CD1-CG1 4.15Å; I20-I51 HydrophobicContact CG2-CD1 4.03Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 3.24Å; T48-I51 PolarHBondContact O-N 3.01Å; I51-N53 VanDerWaalsContact C-N 3.35Å; I51-N53 PolarHBondContact O-N 2.91Å; I51-T54 PolarHBondContact O-N 2.72Å; I51-L55 HydrophobicContact CG2-CD1 3.85Å; I51-L55 HydrophobicContact CG2-CG 4.43Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 2.84Å
52Q73.3Confident74.3Confident98 Ų9860.3 Ų60.346%0.45834%0.338SS..Hα-helixtrans-59.3-45.1177.4-76.3179-36.900111.8T48 T49 T54 L55 Q56T48-Q52 WeakPolarHBondContact O-CG 3.32Å; T48-Q52 PolarHBondContact O-N 2.9Å; T49-Q52 PolarHBondContact O-N 2.78Å; Q52-T54 VanDerWaalsContact C-N 3.35Å; Q52-T54 PolarHBondContact O-N 3.31Å; Q52-L55 PolarHBondContact O-N 3.16Å; Q52-Q56 WeakPolarHBondContact O-CB 3.36Å; Q52-Q56 WeakPolarHBondContact O-CG 3.28Å; Q52-Q56 PolarHBondContact O-N 3.25Å
53N76.9Confident75.3Confident80 Ų8056.2 Ų56.243%0.42832%0.316SS..Hα-helixtrans-62.5-41.1176.6-69.9-14.2000111.8T49 T50 I51 Q56 M57T49-N53 WeakPolarHBondContact O-CB 3.49Å; T49-N53 PolarHBondContact O-N 3.37Å; T49-N53 PolarHBondContact O-ND2 2.74Å; T49-N53 PolarHBondContact O-OD1 2.96Å; T50-N53 PolarHBondContact O-N 3.1Å; I51-N53 VanDerWaalsContact C-N 3.35Å; I51-N53 PolarHBondContact O-N 2.91Å; N53-Q56 PolarHBondContact O-N 3.26Å; N53-M57 WeakPolarHBondContact O-CB 3.48Å; N53-M57 WeakPolarHBondContact O-CG 3.32Å; N53-M57 PolarHBondContact O-N 3.08Å
54T77.6Confident76.3Confident61 Ų6159 Ų5937%0.37433%0.327SS..Hα-helixtrans-63.8-44176.3-59.70000111.8T50 I51 Q52 M57 T58T50-T54 PolarHBondContact O-N 3.4Å; T50-T54 PolarHBondContact O-OG1 3.49Å; T50-T54 VanDerWaalsContact O-OG1 3.07Å; I51-T54 PolarHBondContact O-N 2.72Å; Q52-T54 VanDerWaalsContact C-N 3.35Å; Q52-T54 PolarHBondContact O-N 3.31Å; T54-M57 PolarHBondContact O-N 2.87Å; T54-T58 PolarHBondContact O-N 3.3Å; T54-T58 PolarHBondContact O-OG1 2.9Å
55L77.6Confident77.3Confident17 Ų1759.9 Ų59.99%0.08933%0.326CS..Hα-helixtrans-59.6-49.2175.8-74.2165.3000111.4I51 Q52 M57 T58 V59 A97 I98 H361I51-L55 HydrophobicContact CG2-CD1 3.85Å; I51-L55 HydrophobicContact CG2-CG 4.43Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 2.84Å; Q52-L55 PolarHBondContact O-N 3.16Å; L55-M57 VanDerWaalsContact C-N 3.32Å; L55-M57 PolarHBondContact O-N 3.42Å; L55-T58 PolarHBondContact O-N 3.17Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.15Å; L55-A97 HydrophobicContact CD2-CB 4.17Å; L55-I98 HydrophobicContact CD1-CG1 4.06Å; L55-H361 HydrophobicContact CD2-CB 3.67Å; L55-H361 VanDerWaalsContact CD2-CD2 3.44Å; L55-H361 WeakPolarHBondContact CD2-CD2 3.35Å
56Q78.9Confident78.3Confident89 Ų8955.9 Ų55.942%0.41631%0.305SS..Hα-helixtrans-61-40178.3-76.3-179.5-25.400112.3Q52 N53 S60Q52-Q56 WeakPolarHBondContact O-CB 3.36Å; Q52-Q56 WeakPolarHBondContact O-CG 3.28Å; Q52-Q56 PolarHBondContact O-N 3.25Å; N53-Q56 PolarHBondContact O-N 3.26Å; Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.3Å; Q56-S60 PolarHBondContact O-N 3.15Å; Q56-S60 PolarHBondContact O-OG 3.5Å
57M81.3Confident78.9Confident117 Ų11752.3 Ų52.358%0.57629%0.286SS*.Hα-helixtrans-63.1-46.8175.6-76.8-169.5-57.300111.7N53 T54 L55 S60 T61N53-M57 WeakPolarHBondContact O-CB 3.48Å; N53-M57 WeakPolarHBondContact O-CG 3.32Å; N53-M57 PolarHBondContact O-N 3.08Å; T54-M57 PolarHBondContact O-N 2.87Å; L55-M57 VanDerWaalsContact C-N 3.32Å; L55-M57 PolarHBondContact O-N 3.42Å; M57-S60 WeakPolarHBondContact O-CB 3.08Å; M57-S60 PolarHBondContact O-N 3.35Å; M57-T61 PolarHBondContact O-N 2.92Å; M57-T61 PolarHBondContact O-OG1 2.98Å; M57-T61 VanDerWaalsContact O-OG1 3.05Å
58T82Confident79.5Confident45 Ų4557.8 Ų57.828%0.27631%0.311SS..Hα-helixtrans-65.3-42.4-179.9-63.50000112.2T54 L55 S60 T61 L62 H361T54-T58 PolarHBondContact O-N 3.3Å; T54-T58 PolarHBondContact O-OG1 2.9Å; L55-T58 PolarHBondContact O-N 3.17Å; T58-S60 VanDerWaalsContact C-N 3.29Å; T58-S60 PolarHBondContact O-N 3.45Å; T58-T61 PolarHBondContact O-N 2.97Å; T58-L62 PolarHBondContact O-N 2.91Å; T58-H361 WeakPolarHBondContact CB-CE1 3.46Å; T58-H361 WeakPolarHBondContact CB-NE2 3.44Å; T58-H361 WeakPolarHBondContact CG2-NE2 3.06Å; T58-H361 PolarHBondContact OG1-CE1 3.09Å; T58-H361 PolarHBondContact OG1-NE2 3Å
59V84.7Confident79.5Confident2 Ų256.9 Ų56.91%0.01230%0.304CS..Hα-helixtrans-60.8-42173.71720000110.7L55 T61 L62 L63 Q90 L93 E94 A97L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.15Å; V59-T61 VanDerWaalsContact C-N 3.35Å; V59-T61 PolarHBondContact O-N 3.19Å; V59-L62 PolarHBondContact O-N 3.35Å; V59-L63 VanDerWaalsContact O-CB 3.31Å; V59-L63 WeakPolarHBondContact O-CB 3.44Å; V59-L63 PolarHBondContact O-N 2.97Å; V59-Q90 HydrophobicContact CG1-CG 4.26Å; V59-L93 HydrophobicContact CG1-CB 3.55Å; V59-L93 HydrophobicContact CG1-CD1 4.29Å; V59-L93 HydrophobicContact CG2-CB 4.43Å; V59-E94 HydrophobicContact CB-CG 4.23Å; V59-E94 HydrophobicContact CG1-CG 3.94Å; V59-E94 HydrophobicContact CG2-CG 4.3Å; V59-A97 HydrophobicContact CG2-CB 4.03Å
60S84.3Confident79Confident41 Ų4154.7 Ų54.729%0.28729%0.291SS..Hα-helixtrans-63.3-40.1175.9-60.70000112Q56 M57 T58 L63 N64Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.3Å; Q56-S60 PolarHBondContact O-N 3.15Å; Q56-S60 PolarHBondContact O-OG 3.5Å; M57-S60 WeakPolarHBondContact O-CB 3.08Å; M57-S60 PolarHBondContact O-N 3.35Å; T58-S60 VanDerWaalsContact C-N 3.29Å; T58-S60 PolarHBondContact O-N 3.45Å; S60-L63 PolarHBondContact O-N 3.19Å; S60-N64 WeakPolarHBondContact O-CB 3.36Å; S60-N64 PolarHBondContact O-N 3.19Å; S60-N64 PolarHBondContact O-ND2 2.83Å
61T85.9Confident78.2Confident76 Ų7656 Ų5647%0.46630%0.303SS..Hα-helixtrans-64.5-47.3175.6-59.70000111.6M57 T58 V59 L63 N64 Q65M57-T61 PolarHBondContact O-N 2.92Å; M57-T61 PolarHBondContact O-OG1 2.98Å; M57-T61 VanDerWaalsContact O-OG1 3.05Å; T58-T61 PolarHBondContact O-N 2.97Å; V59-T61 VanDerWaalsContact C-N 3.35Å; V59-T61 PolarHBondContact O-N 3.19Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.09Å; T61-N64 PolarHBondContact O-N 3.47Å; T61-Q65 WeakPolarHBondContact O-CG 3.3Å; T61-Q65 PolarHBondContact O-N 2.91Å
62L87Confident77.6Confident6 Ų657.6 Ų57.63%0.03131%0.311CS..Hα-helixtrans-57.5-48.7174.7170.767.9000110.6T58 V59 N64 Q65 I66 L93 K353 I354T58-L62 PolarHBondContact O-N 2.91Å; V59-L62 PolarHBondContact O-N 3.35Å; L62-N64 VanDerWaalsContact C-N 3.3Å; L62-N64 PolarHBondContact O-N 3.49Å; L62-Q65 WeakPolarHBondContact O-CB 3.33Å; L62-Q65 PolarHBondContact O-N 2.83Å; L62-Q65 VanDerWaalsContact O-N 3.09Å; L62-I66 HydrophobicContact CD1-CD1 4.05Å; L62-I66 HydrophobicContact CD1-CG1 4.25Å; L62-I66 HydrophobicContact CD2-CD1 4.46Å; L62-I66 HydrophobicContact CG-CD1 3.91Å; L62-I66 HydrophobicContact CG-CG1 4.46Å; L62-I66 WeakPolarHBondContact O-CG1 3.41Å; L62-I66 PolarHBondContact O-N 3.41Å; L62-L93 HydrophobicContact CD2-CD1 4.21Å; L62-L93 HydrophobicContact CD2-CD2 4.19Å; L62-K353 HydrophobicContact CD1-CB 3.84Å; L62-I354 HydrophobicContact CD2-CB 4.44Å; L62-I354 HydrophobicContact CD2-CG1 3.98Å
63L86.2Confident76.9Confident5 Ų562.8 Ų62.83%0.02633%0.326CS..Hα-helixtrans-60.9-40.8-179.6-175.360.5000111.4V59 S60 T61 Q65 I66 L67 I83 I86 V89 Q90V59-L63 VanDerWaalsContact O-CB 3.31Å; V59-L63 WeakPolarHBondContact O-CB 3.44Å; V59-L63 PolarHBondContact O-N 2.97Å; S60-L63 PolarHBondContact O-N 3.19Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.09Å; L63-Q65 PolarHBondContact O-N 3.26Å; L63-I66 PolarHBondContact O-N 3.44Å; L63-L67 HydrophobicContact CD1-CD1 4.41Å; L63-L67 HydrophobicContact CD1-CG 4.36Å; L63-L67 HydrophobicContact CG-CD1 4Å; L63-L67 HydrophobicContact CG-CG 4.39Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 3.04Å; L63-I83 HydrophobicContact CD1-CD1 4.31Å; L63-I86 HydrophobicContact CD1-CG2 4.4Å; L63-I86 HydrophobicContact CD2-CG2 3.79Å; L63-I86 HydrophobicContact CG-CG2 4.34Å; L63-V89 HydrophobicContact CD1-CG1 4.13Å; L63-Q90 HydrophobicContact CD2-CB 3.68Å; L63-Q90 HydrophobicContact CD2-CG 3.93Å
64N85.1Confident76.2Confident93 Ų9363 Ų6350%0.49733%0.328SS..Hα-helixtrans-61.3-41.9173.8-72.5-24.8000112S60 T61 L62 I66 L67 E68S60-N64 WeakPolarHBondContact O-CB 3.36Å; S60-N64 PolarHBondContact O-N 3.19Å; S60-N64 PolarHBondContact O-ND2 2.83Å; T61-N64 PolarHBondContact O-N 3.47Å; L62-N64 VanDerWaalsContact C-N 3.3Å; L62-N64 PolarHBondContact O-N 3.49Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-I66 PolarHBondContact O-N 2.84Å; N64-L67 CarbonylContact O-C 3.56Å; N64-L67 PolarHBondContact O-N 3.33Å; N64-E68 WeakPolarHBondContact O-CG 3.49Å; N64-E68 PolarHBondContact O-N 3.31Å
65Q84.8Confident75.4Confident78 Ų7862.4 Ų62.436%0.36432%0.322SS..Hα-helixtrans-63.2-39.7175.4-68.9172.9-4.400112.4T61 L62 L63 L67 N69T61-Q65 WeakPolarHBondContact O-CG 3.3Å; T61-Q65 PolarHBondContact O-N 2.91Å; L62-Q65 WeakPolarHBondContact O-CB 3.33Å; L62-Q65 PolarHBondContact O-N 2.83Å; L62-Q65 VanDerWaalsContact O-N 3.09Å; L63-Q65 PolarHBondContact O-N 3.26Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-N69 PolarHBondContact O-N 3.4Å
66I83.7Confident74.5Confident0 Ų067.7 Ų67.70%035%0.35CS..Hα-helixtrans-65.5-40.2174.4-61.6171.3000110L62 L63 N64 N69 S70 V81 I83 I350 I354L62-I66 HydrophobicContact CD1-CD1 4.05Å; L62-I66 HydrophobicContact CD1-CG1 4.25Å; L62-I66 HydrophobicContact CD2-CD1 4.46Å; L62-I66 HydrophobicContact CG-CD1 3.91Å; L62-I66 HydrophobicContact CG-CG1 4.46Å; L62-I66 WeakPolarHBondContact O-CG1 3.41Å; L62-I66 PolarHBondContact O-N 3.41Å; L63-I66 PolarHBondContact O-N 3.44Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-I66 PolarHBondContact O-N 2.84Å; I66-N69 WeakPolarHBondContact O-CB 3.49Å; I66-N69 PolarHBondContact O-N 3.03Å; I66-S70 PolarHBondContact O-N 3.01Å; I66-S70 VanDerWaalsContact O-N 3.14Å; I66-V81 HydrophobicContact CG2-CG1 3.82Å; I66-I83 HydrophobicContact CG2-CD1 3.78Å; I66-I350 HydrophobicContact CB-CD1 4.46Å; I66-I350 HydrophobicContact CD1-CG2 4.24Å; I66-I350 HydrophobicContact CG1-CD1 3.98Å; I66-I350 HydrophobicContact CG1-CG2 4.3Å; I66-I350 HydrophobicContact CG2-CD1 4.36Å; I66-I354 HydrophobicContact CD1-CD1 4.26Å; I66-I354 HydrophobicContact CD1-CG1 4.11Å
67L80.3Confident73.9Confident33 Ų3364.5 Ų64.517%0.17334%0.337CS..Hα-helixtrans-73.7-27.4179.8-70173.3000113.6L63 N64 Q65 N69 S70 S71 I83 I86L63-L67 HydrophobicContact CD1-CD1 4.41Å; L63-L67 HydrophobicContact CD1-CG 4.36Å; L63-L67 HydrophobicContact CG-CD1 4Å; L63-L67 HydrophobicContact CG-CG 4.39Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 3.04Å; N64-L67 CarbonylContact O-C 3.56Å; N64-L67 PolarHBondContact O-N 3.33Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 3.23Å; L67-S70 VanDerWaalsContact CA-OG 3.27Å; L67-S70 WeakPolarHBondContact CA-OG 3.22Å; L67-S70 CarbonylContact O-C 3.58Å; L67-S70 WeakPolarHBondContact O-CA 3.23Å; L67-S70 WeakPolarHBondContact O-CB 3.49Å; L67-S70 PolarHBondContact O-N 3.05Å; L67-S70 VanDerWaalsContact O-N 3.08Å; L67-S70 PolarHBondContact O-OG 3.45Å; L67-S71 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-OG 2.63Å; L67-I83 HydrophobicContact CD2-CD1 4.17Å; L67-I86 HydrophobicContact CD1-CD1 4.16Å; L67-I86 HydrophobicContact CD1-CG2 4.05Å; L67-I86 HydrophobicContact CD2-CD1 3.72Å; L67-I86 HydrophobicContact CD2-CG1 4.04Å
68E77.1Confident73.1Confident131 Ų13163 Ų6361%0.61234%0.335SS*.Hα-helixtrans-59.5-43.3169.9-79.1172.4-170.900110.3N64 S70 S71N64-E68 WeakPolarHBondContact O-CG 3.49Å; N64-E68 PolarHBondContact O-N 3.31Å; E68-S70 VanDerWaalsContact C-N 3.31Å; E68-S70 PolarHBondContact O-N 3.02Å; E68-S71 WeakPolarHBondContact O-CB 3.34Å; E68-S71 PolarHBondContact O-N 2.79Å
69N68.4Low72.6Confident48 Ų4863.9 Ų63.926%0.25734%0.34SS..Hα-helixtrans-64.9-33.9171.9-70.4-18.9000112.3Q65 I66 L67 S71 I72 T79 V81Q65-N69 PolarHBondContact O-N 3.4Å; I66-N69 WeakPolarHBondContact O-CB 3.49Å; I66-N69 PolarHBondContact O-N 3.03Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 3.23Å; N69-S71 VanDerWaalsContact C-N 3.31Å; N69-S71 PolarHBondContact O-N 3.2Å; N69-I72 WeakPolarHBondContact O-CB 3.12Å; N69-I72 PolarHBondContact O-N 3.27Å; N69-T79 WeakPolarHBondContact CB-O 3.14Å; N69-V81 HydrophobicContact CB-CB 4.46Å; N69-V81 HydrophobicContact CB-CG2 3.84Å
70S62.1Low72.4Confident23 Ų2363.8 Ų63.816%0.16134%0.34CS..Hα-helixtrans-68.8-26.7174.782.80000114.4I66 L67 E68 I72 R73 V81I66-S70 PolarHBondContact O-N 3.01Å; I66-S70 VanDerWaalsContact O-N 3.14Å; L67-S70 VanDerWaalsContact CA-OG 3.27Å; L67-S70 WeakPolarHBondContact CA-OG 3.22Å; L67-S70 CarbonylContact O-C 3.58Å; L67-S70 WeakPolarHBondContact O-CA 3.23Å; L67-S70 WeakPolarHBondContact O-CB 3.49Å; L67-S70 PolarHBondContact O-N 3.05Å; L67-S70 VanDerWaalsContact O-N 3.08Å; L67-S70 PolarHBondContact O-OG 3.45Å; E68-S70 VanDerWaalsContact C-N 3.31Å; E68-S70 PolarHBondContact O-N 3.02Å; S70-I72 PolarHBondContact O-N 3.48Å; S70-R73 VanDerWaalsContact O-CG 3.27Å; S70-R73 WeakPolarHBondContact O-CG 3.31Å; S70-V81 WeakPolarHBondContact CA-O 3.24Å; S70-V81 WeakPolarHBondContact CB-O 3.38Å
71S55.8Low72.7Confident94 Ų9462 Ų6266%0.65733%0.328SS*.Hα-helixtrans-68.7-20.2178.8-60.20000111.3L67 E68 N69 R73L67-S71 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-OG 2.63Å; E68-S71 WeakPolarHBondContact O-CB 3.34Å; E68-S71 PolarHBondContact O-N 2.79Å; N69-S71 VanDerWaalsContact C-N 3.31Å; N69-S71 PolarHBondContact O-N 3.2Å; S71-R73 PolarHBondContact O-N 2.9Å
72I57.5Low73Confident73 Ų7359.9 Ų59.937%0.37431%0.311SS..  trans-74.968.6164.9-47.3173.2000108N69 S70 N74 A80N69-I72 WeakPolarHBondContact O-CB 3.12Å; N69-I72 PolarHBondContact O-N 3.27Å; S70-I72 PolarHBondContact O-N 3.48Å; I72-N74 HydrophobicContact CG2-CB 4.43Å; I72-N74 PolarHBondContact O-N 3.45Å; I72-A80 WeakPolarHBondContact O-CB 3.27Å
73R58.6Low73.3Confident206 Ų20660.5 Ų60.578%0.77731%0.314SS*.  trans-73.228.9176.4-64-171-176.9-1741.3113.4S70 S71 I75S70-R73 VanDerWaalsContact O-CG 3.27Å; S70-R73 WeakPolarHBondContact O-CG 3.31Å; S71-R73 PolarHBondContact O-N 2.9Å; R73-I75 PolarHBondContact O-N 2.87Å
74N62.4Low73.5Confident86 Ų8666.3 Ų66.346%0.4634%0.34SS..  trans-82.2108170.1-175.3-5.2000107I72 N76 S77I72-N74 HydrophobicContact CG2-CB 4.43Å; I72-N74 PolarHBondContact O-N 3.45Å; N74-N76 PolarHBondContact O-N 2.87Å; N74-N76 WeakPolarHBondContact OD1-CB 3.26Å; N74-N76 PolarHBondContact OD1-N 3.38Å; N74-N76 VanDerWaalsContact OD1-N 3.11Å; N74-S77 VanDerWaalsContact O-CB 3.22Å; N74-S77 WeakPolarHBondContact O-CB 3.01Å; N74-S77 PolarHBondContact O-N 2.87Å
75I60Low73.9Confident47 Ų4765.8 Ų65.824%0.24134%0.337CS..THydrogen-bonded Turntrans-60.5-14.5-179.3-158.1163.4000113.2R73 V327 Q328 N344R73-I75 PolarHBondContact O-N 2.87Å; I75-V327 HydrophobicContact CD1-CB 4.35Å; I75-V327 HydrophobicContact CD1-CG1 3.9Å; I75-V327 HydrophobicContact CG1-CB 4.12Å; I75-V327 HydrophobicContact CG1-CG1 3.57Å; I75-Q328 HydrophobicContact CD1-CB 3.97Å; I75-N344 PolarHBondContact O-ND2 2.89Å
76N59Low74.2Confident129 Ų12965.6 Ų65.669%0.6934%0.337SS*.THydrogen-bonded Turntrans-93.50.3174.9-58.6-36.5000113.2N74N74-N76 PolarHBondContact O-N 2.87Å; N74-N76 WeakPolarHBondContact OD1-CB 3.26Å; N74-N76 PolarHBondContact OD1-N 3.38Å; N74-N76 VanDerWaalsContact OD1-N 3.11Å
77S66.6Low74.6Confident21 Ų2172.9 Ų72.915%0.14737%0.369CS..  trans-84.8131.6179.2178.20000110.6N74 T79 A80 N344N74-S77 VanDerWaalsContact O-CB 3.22Å; N74-S77 WeakPolarHBondContact O-CB 3.01Å; N74-S77 PolarHBondContact O-N 2.87Å; S77-T79 PolarHBondContact O-N 2.91Å; S77-T79 PolarHBondContact OG-N 3.48Å; S77-T79 PolarHBondContact OG-OG1 3.38Å; S77-A80 PolarHBondContact O-N 2.9Å; S77-N344 PolarHBondContact O-ND2 3.3Å
78T63.9Low75.2Confident85 Ų8573.2 Ų73.252%0.52137%0.372SS..THydrogen-bonded Turntrans-71.2-8.4173.960.80000113.5N344 S346T78-N344 WeakPolarHBondContact CB-O 3.36Å; T78-N344 HydrophobicContact CG2-CB 4.12Å; T78-N344 VanDerWaalsContact CG2-O 3.27Å; T78-N344 WeakPolarHBondContact CG2-O 3.49Å; T78-S346 WeakPolarHBondContact O-CA 3.43Å; T78-S346 WeakPolarHBondContact O-CB 3.33Å; T78-S346 PolarHBondContact O-OG 3.11Å
79T70.7Confident76.1Confident64 Ų6467 Ų6739%0.39334%0.344SS..THydrogen-bonded Turntrans-104.7-117861.40000113N69 S77N69-T79 WeakPolarHBondContact CB-O 3.14Å; S77-T79 PolarHBondContact O-N 2.91Å; S77-T79 PolarHBondContact OG-N 3.48Å; S77-T79 PolarHBondContact OG-OG1 3.38Å
80A82Confident77.2Confident1 Ų167.4 Ų67.41%0.00834%0.344CS..  trans-69.1134.2-178.700000110.7I72 S77 Y82 V343I72-A80 WeakPolarHBondContact O-CB 3.27Å; S77-A80 PolarHBondContact O-N 2.9Å; A80-Y82 HydrophobicContact CB-CE2 3.97Å; A80-V343 HydrophobicContact CB-CG2 3.66Å; A80-V343 WeakPolarHBondContact O-CG2 3.24Å
81V89.7Confident78.7Confident4 Ų470.8 Ų70.82%0.02436%0.357CS..EExtended strand (participates in β ladder)trans-123.2136.4178.5-179.40000108.7I66 N69 S70 I83 I340 V341 L342 I350I66-V81 HydrophobicContact CG2-CG1 3.82Å; N69-V81 HydrophobicContact CB-CB 4.46Å; N69-V81 HydrophobicContact CB-CG2 3.84Å; S70-V81 WeakPolarHBondContact CA-O 3.24Å; S70-V81 WeakPolarHBondContact CB-O 3.38Å; V81-I83 HydrophobicContact CG1-CG1 4.33Å; V81-I340 HydrophobicContact CG1-CG2 3.61Å; V81-V341 WeakPolarHBondContact CA-O 3.08Å; V81-L342 HydrophobicContact CB-CD2 4.38Å; V81-L342 HydrophobicContact CG1-CD2 4Å; V81-L342 HydrophobicContact CG2-CD2 3.73Å; V81-I350 HydrophobicContact CG2-CD1 4.45Å; V81-I350 HydrophobicContact CG2-CG1 4.34Å
82Y92.3Very high80.5Confident30 Ų3067 Ų6712%0.11833%0.329CS..EExtended strand (participates in β ladder)trans-121.2127.6179-64.7-93000110.5A80 L331 V341 V343A80-Y82 HydrophobicContact CB-CE2 3.97Å; Y82-L331 HydrophobicContact CD1-CD1 4.22Å; Y82-L331 HydrophobicContact CD1-CD2 3.79Å; Y82-L331 HydrophobicContact CD2-CD1 3.78Å; Y82-L331 HydrophobicContact CD2-CD2 4.34Å; Y82-L331 HydrophobicContact CE1-CD2 3.68Å; Y82-L331 HydrophobicContact CE2-CD1 4.33Å; Y82-L331 HydrophobicContact CE2-CD2 4.25Å; Y82-L331 HydrophobicContact CG-CD1 3.72Å; Y82-L331 HydrophobicContact CG-CD2 4.12Å; Y82-L331 HydrophobicContact CG-CG 4.5Å; Y82-V341 PolarHBondContact N-O 2.97Å; Y82-V341 PolarHBondContact O-N 3.26Å; Y82-V343 HydrophobicContact CD2-CG1 3.79Å; Y82-V343 HydrophobicContact CD2-CG2 4.34Å; Y82-V343 HydrophobicContact CE2-CB 4.5Å; Y82-V343 HydrophobicContact CE2-CG1 3.83Å; Y82-V343 HydrophobicContact CE2-CG2 3.79Å
83I92.6Very high82.2Confident20 Ų2063.6 Ų63.610%0.10331%0.311CS..  trans-128117.1177.7-62.8176.7000107.7L63 I66 L67 V81 I86 V89 I340L63-I83 HydrophobicContact CD1-CD1 4.31Å; I66-I83 HydrophobicContact CG2-CD1 3.78Å; L67-I83 HydrophobicContact CD2-CD1 4.17Å; V81-I83 HydrophobicContact CG1-CG1 4.33Å; I83-I86 HydrophobicContact CB-CG1 4.36Å; I83-I86 HydrophobicContact CG2-CB 4.44Å; I83-I86 HydrophobicContact CG2-CG1 3.88Å; I83-V89 HydrophobicContact CG2-CB 4.3Å; I83-V89 HydrophobicContact CG2-CG2 3.49Å; I83-V89 VanDerWaalsContact CG2-CG2 3.49Å; I83-I340 HydrophobicContact CD1-CG1 4.22Å; I83-I340 HydrophobicContact CG1-CB 4.46Å; I83-I340 HydrophobicContact CG1-CG1 4.15Å; I83-I340 HydrophobicContact CG1-CG2 4.29Å
84K90.6Very high83.8Confident127 Ų12755.4 Ų55.455%0.55228%0.282SS*.SBendtrans-73.2-45180-170.1171.6-177.31700111.9Q335K84-Q335 HydrophobicContact CB-CB 4.13Å; K84-Q335 VanDerWaalsContact CB-O 3.3Å; K84-Q335 WeakPolarHBondContact CB-O 3.43Å; K84-Q335 HydrophobicContact CD-CB 4.23Å; K84-Q335 WeakPolarHBondContact CD-O 3.48Å
85N93.4Very high85.1Confident82 Ų8252.5 Ų52.544%0.43927%0.266SS..  trans-126.387.5-177.5-170.9-18.7000111.1K87 T88 V89N85-K87 PolarHBondContact O-N 3.22Å; N85-K87 PolarHBondContact OD1-N 3.26Å; N85-T88 PolarHBondContact ND2-OG1 2.99Å; N85-T88 PolarHBondContact O-N 2.91Å; N85-T88 VanDerWaalsContact O-N 3.16Å; N85-T88 PolarHBondContact OD1-N 3.28Å; N85-T88 VanDerWaalsContact OD1-N 3.1Å; N85-T88 PolarHBondContact OD1-OG1 3.27Å; N85-V89 PolarHBondContact O-N 3.14Å; N85-V89 VanDerWaalsContact O-N 3.1Å
86I91.9Very high86.7Confident74 Ų7450.3 Ų50.338%0.37926%0.255SS..Hα-helixtrans-54.6-38.1-179.7-61.7175.3000111.6L63 L67 I83 V89 Q90L63-I86 HydrophobicContact CD1-CG2 4.4Å; L63-I86 HydrophobicContact CD2-CG2 3.79Å; L63-I86 HydrophobicContact CG-CG2 4.34Å; L67-I86 HydrophobicContact CD1-CD1 4.16Å; L67-I86 HydrophobicContact CD1-CG2 4.05Å; L67-I86 HydrophobicContact CD2-CD1 3.72Å; L67-I86 HydrophobicContact CD2-CG1 4.04Å; I83-I86 HydrophobicContact CB-CG1 4.36Å; I83-I86 HydrophobicContact CG2-CB 4.44Å; I83-I86 HydrophobicContact CG2-CG1 3.88Å; I86-V89 PolarHBondContact O-N 3.46Å; I86-Q90 WeakPolarHBondContact O-CB 3.31Å; I86-Q90 PolarHBondContact O-N 2.9Å
87K92Very high88.1Confident152 Ų15244.4 Ų44.466%0.66122%0.224SC*.Hα-helixtrans-67-41.7-177.6-133.6-179.1-175-177.80111.6N85 Q90 Q91N85-K87 PolarHBondContact O-N 3.22Å; N85-K87 PolarHBondContact OD1-N 3.26Å; K87-Q90 PolarHBondContact O-N 2.73Å; K87-Q91 VanDerWaalsContact O-CG 3.27Å; K87-Q91 WeakPolarHBondContact O-CG 3.31Å; K87-Q91 PolarHBondContact O-N 3.31Å
88T93.5Very high89.1Confident40 Ų4048.6 Ų48.625%0.24524%0.243CC..Hα-helixtrans-65.2-44.2174.7-64.90000111.2N85 Q90 Q91 K92N85-T88 PolarHBondContact ND2-OG1 2.99Å; N85-T88 PolarHBondContact O-N 2.91Å; N85-T88 VanDerWaalsContact O-N 3.16Å; N85-T88 PolarHBondContact OD1-N 3.28Å; N85-T88 VanDerWaalsContact OD1-N 3.1Å; N85-T88 PolarHBondContact OD1-OG1 3.27Å; T88-Q90 VanDerWaalsContact C-N 3.32Å; T88-Q90 PolarHBondContact O-N 3.49Å; T88-Q91 PolarHBondContact O-N 3.47Å; T88-K92 HydrophobicContact CG2-CD 4.3Å; T88-K92 HydrophobicContact CG2-CG 4.44Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 3.5Å
89V94.5Very high90.2Very high1 Ų146.1 Ų46.11%0.00623%0.23CC..Hα-helixtrans-58.3-46.2175.3179.20000111.2L63 I83 N85 I86 Q91 K92 L93 L318 D339 I340L63-V89 HydrophobicContact CD1-CG1 4.13Å; I83-V89 HydrophobicContact CG2-CB 4.3Å; I83-V89 HydrophobicContact CG2-CG2 3.49Å; I83-V89 VanDerWaalsContact CG2-CG2 3.49Å; N85-V89 PolarHBondContact O-N 3.14Å; N85-V89 VanDerWaalsContact O-N 3.1Å; I86-V89 PolarHBondContact O-N 3.46Å; V89-Q91 PolarHBondContact O-N 2.81Å; V89-K92 PolarHBondContact O-N 3.02Å; V89-L93 HydrophobicContact CG1-CD1 3.9Å; V89-L93 HydrophobicContact CG1-CG 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.34Å; V89-L93 WeakPolarHBondContact O-CG 3.44Å; V89-L93 PolarHBondContact O-N 3.38Å; V89-L318 HydrophobicContact CG1-CD1 4.38Å; V89-D339 HydrophobicContact CG2-CB 4.02Å; V89-D339 WeakPolarHBondContact CG2-O 3.36Å; V89-I340 HydrophobicContact CG1-CD1 3.97Å; V89-I340 HydrophobicContact CG1-CG1 4.11Å; V89-I340 HydrophobicContact CG2-CG1 4.26Å
90Q92.5Very high91.1Very high57 Ų5743.3 Ų43.327%0.26621%0.213SC..Hα-helixtrans-57.6-49.2176.9-169.5-177-31.100111.6V59 L63 I86 K87 T88 K92 L93 E94V59-Q90 HydrophobicContact CG1-CG 4.26Å; L63-Q90 HydrophobicContact CD2-CB 3.68Å; L63-Q90 HydrophobicContact CD2-CG 3.93Å; I86-Q90 WeakPolarHBondContact O-CB 3.31Å; I86-Q90 PolarHBondContact O-N 2.9Å; K87-Q90 PolarHBondContact O-N 2.73Å; T88-Q90 VanDerWaalsContact C-N 3.32Å; T88-Q90 PolarHBondContact O-N 3.49Å; Q90-K92 PolarHBondContact O-N 3.06Å; Q90-L93 PolarHBondContact O-N 2.96Å; Q90-E94 PolarHBondContact NE2-OE1 2.87Å; Q90-E94 WeakPolarHBondContact O-CG 3.29Å; Q90-E94 PolarHBondContact O-N 3.26Å
91Q92.4Very high91.5Very high93 Ų9345.7 Ų45.744%0.43522%0.224SC..Hα-helixtrans-59.9-44.7179.1-73.9170.6-28.800112K87 T88 V89 E94 I95K87-Q91 VanDerWaalsContact O-CG 3.27Å; K87-Q91 WeakPolarHBondContact O-CG 3.31Å; K87-Q91 PolarHBondContact O-N 3.31Å; T88-Q91 PolarHBondContact O-N 3.47Å; V89-Q91 PolarHBondContact O-N 2.81Å; Q91-E94 PolarHBondContact O-N 3.16Å; Q91-I95 WeakPolarHBondContact O-CD1 3.37Å; Q91-I95 VanDerWaalsContact O-CG1 3.3Å; Q91-I95 WeakPolarHBondContact O-CG1 3.43Å; Q91-I95 PolarHBondContact O-N 3.48Å
92K95Very high91.6Very high15 Ų1549.9 Ų49.97%0.06525%0.246CC..Hα-helixtrans-61.1-47.7176.5-69.4-172.5172-178.50111T88 V89 Q90 E94 I95 L96 D308 T316 V317 L318 D339T88-K92 HydrophobicContact CG2-CD 4.3Å; T88-K92 HydrophobicContact CG2-CG 4.44Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 3.5Å; V89-K92 PolarHBondContact O-N 3.02Å; Q90-K92 PolarHBondContact O-N 3.06Å; K92-E94 VanDerWaalsContact C-N 3.32Å; K92-E94 PolarHBondContact O-N 3.05Å; K92-I95 WeakPolarHBondContact O-CB 3.43Å; K92-I95 PolarHBondContact O-N 3.46Å; K92-I95 VanDerWaalsContact O-N 3.14Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.15Å; K92-L96 PolarHBondContact O-N 3.39Å; K92-D308 WeakPolarHBondContact CE-OD1 3.03Å; K92-D308 IonicContact NZ-OD1 3.04Å; K92-D308 IonicContact NZ-OD2 2.65Å; K92-D308 PolarHBondContact NZ-OD2 2.92Å; K92-T316 WeakPolarHBondContact CG-OG1 3.31Å; K92-V317 WeakPolarHBondContact CE-O 3.48Å; K92-V317 PolarHBondContact NZ-O 2.8Å; K92-L318 HydrophobicContact CB-CD1 4.14Å; K92-L318 HydrophobicContact CD-CD1 4.12Å; K92-D339 VanDerWaalsContact NZ-CG 3.28Å; K92-D339 IonicContact NZ-OD1 2.85Å; K92-D339 PolarHBondContact NZ-OD1 3.11Å; K92-D339 IonicContact NZ-OD2 3.59Å; K92-D339 PolarHBondContact NZ-OD2 2.96Å
93L93.2Very high91.7Very high2 Ų253.7 Ų53.71%0.0126%0.263CS..Hα-helixtrans-59.5-40.5176.6-71.1171.4000112.4V59 L62 V89 Q90 L96 A97 L318 I354V59-L93 HydrophobicContact CG1-CB 3.55Å; V59-L93 HydrophobicContact CG1-CD1 4.29Å; V59-L93 HydrophobicContact CG2-CB 4.43Å; L62-L93 HydrophobicContact CD2-CD1 4.21Å; L62-L93 HydrophobicContact CD2-CD2 4.19Å; V89-L93 HydrophobicContact CG1-CD1 3.9Å; V89-L93 HydrophobicContact CG1-CG 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.34Å; V89-L93 WeakPolarHBondContact O-CG 3.44Å; V89-L93 PolarHBondContact O-N 3.38Å; Q90-L93 PolarHBondContact O-N 2.96Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 3.2Å; L93-L318 HydrophobicContact CD2-CD2 3.63Å; L93-L318 HydrophobicContact CG-CD2 4.28Å; L93-I354 HydrophobicContact CD2-CG1 4.15Å; L93-I354 HydrophobicContact CD2-CG2 3.77Å
94E90.7Very high91.8Very high34 Ų3452.8 Ų52.816%0.15926%0.258CS..Hα-helixtrans-61.9-45173.8-72.7173-17000111.6V59 Q90 Q91 K92 L96 A97 I98V59-E94 HydrophobicContact CB-CG 4.23Å; V59-E94 HydrophobicContact CG1-CG 3.94Å; V59-E94 HydrophobicContact CG2-CG 4.3Å; Q90-E94 PolarHBondContact NE2-OE1 2.87Å; Q90-E94 WeakPolarHBondContact O-CG 3.29Å; Q90-E94 PolarHBondContact O-N 3.26Å; Q91-E94 PolarHBondContact O-N 3.16Å; K92-E94 VanDerWaalsContact C-N 3.32Å; K92-E94 PolarHBondContact O-N 3.05Å; E94-L96 PolarHBondContact O-N 3.48Å; E94-A97 PolarHBondContact O-N 2.83Å; E94-I98 WeakPolarHBondContact O-CB 3.38Å; E94-I98 WeakPolarHBondContact O-CD1 3.36Å; E94-I98 WeakPolarHBondContact O-CG1 3.4Å; E94-I98 PolarHBondContact O-N 3.44Å
95I90.9Very high92.1Very high25 Ų2546.9 Ų46.913%0.12823%0.233CC..Hα-helixtrans-60-45.4175.9-68.7159.2000110.8Q91 K92 S99 T316Q91-I95 WeakPolarHBondContact O-CD1 3.37Å; Q91-I95 VanDerWaalsContact O-CG1 3.3Å; Q91-I95 WeakPolarHBondContact O-CG1 3.43Å; Q91-I95 PolarHBondContact O-N 3.48Å; K92-I95 WeakPolarHBondContact O-CB 3.43Å; K92-I95 PolarHBondContact O-N 3.46Å; K92-I95 VanDerWaalsContact O-N 3.14Å; I95-S99 WeakPolarHBondContact O-CB 3.31Å; I95-S99 PolarHBondContact O-N 3.21Å; I95-S99 PolarHBondContact O-OG 3.31Å; I95-T316 HydrophobicContact CB-CG2 4.09Å; I95-T316 HydrophobicContact CG2-CG2 3.57Å
96L92.7Very high92.3Very high1 Ų143 Ų431%0.00521%0.212CC..Hα-helixtrans-61.9-47.8178.2-64.4-172.6000111.4K92 L93 E94 S99 G100 L104 N288 T316 L318 I358K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.15Å; K92-L96 PolarHBondContact O-N 3.39Å; L93-L96 PolarHBondContact O-N 2.88Å; E94-L96 PolarHBondContact O-N 3.48Å; L96-S99 PolarHBondContact O-N 3.05Å; L96-G100 PolarHBondContact O-N 3.22Å; L96-L104 HydrophobicContact CD2-CD1 4.16Å; L96-N288 HydrophobicContact CD2-CB 3.47Å; L96-N288 VanDerWaalsContact CD2-CB 3.47Å; L96-T316 HydrophobicContact CD2-CG2 3.72Å; L96-T316 HydrophobicContact CG-CG2 4.36Å; L96-L318 HydrophobicContact CD1-CB 4.07Å; L96-L318 HydrophobicContact CD1-CD2 3.97Å; L96-I358 HydrophobicContact CB-CD1 3.72Å; L96-I358 HydrophobicContact CB-CG1 4.05Å; L96-I358 HydrophobicContact CD1-CD1 3.8Å; L96-I358 HydrophobicContact CG-CD1 4.4Å
97A89.1Confident92.5Very high5 Ų539.5 Ų39.54%0.04119%0.194CC..Hα-helixtrans-64.2-43.218000000112.3L55 V59 L93 E94 G100L55-A97 HydrophobicContact CD2-CB 4.17Å; V59-A97 HydrophobicContact CG2-CB 4.03Å; L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 3.2Å; E94-A97 PolarHBondContact O-N 2.83Å; A97-G100 PolarHBondContact O-N 2.84Å
98I87.7Confident92.8Very high108 Ų10832.2 Ų32.255%0.55416%0.163SC*.Hα-helixtrans-68.1-41.4178.2-69.7165.1000111.4L55 E94 G100L55-I98 HydrophobicContact CD1-CG1 4.06Å; E94-I98 WeakPolarHBondContact O-CB 3.38Å; E94-I98 WeakPolarHBondContact O-CD1 3.36Å; E94-I98 WeakPolarHBondContact O-CG1 3.4Å; E94-I98 PolarHBondContact O-N 3.44Å; I98-G100 VanDerWaalsContact C-N 3.26Å; I98-G100 PolarHBondContact O-N 2.69Å
99S87.7Confident93Very high33 Ų3330.7 Ų30.723%0.23115%0.153CC..Hα-helixtrans-69.4-28.1-179.4-65.80000112.6I95 L96 N288I95-S99 WeakPolarHBondContact O-CB 3.31Å; I95-S99 PolarHBondContact O-N 3.21Å; I95-S99 PolarHBondContact O-OG 3.31Å; L96-S99 PolarHBondContact O-N 3.05Å; S99-N288 WeakPolarHBondContact CB-ND2 3.25Å; S99-N288 PolarHBondContact OG-ND2 2.88Å
100G88.4Confident93.2Very high5 Ų530.6 Ų30.65%0.05215%0.152CC..  trans70.7177.9177.100000113.6L96 A97 I98 D102 K103L96-G100 PolarHBondContact O-N 3.22Å; A97-G100 PolarHBondContact O-N 2.84Å; I98-G100 VanDerWaalsContact C-N 3.26Å; I98-G100 PolarHBondContact O-N 2.69Å; G100-D102 VanDerWaalsContact C-N 3.27Å; G100-D102 PolarHBondContact O-N 3.24Å; G100-K103 PolarHBondContact O-N 2.83Å
101K91.3Very high93.5Very high51 Ų5128.7 Ų28.722%0.22214%0.144CC..G310 helixtrans-57.1-35.4-172.169.8-175.8-175.665.20114.3K103 L104 Y216 I218 R286 L359 N362K101-K103 PolarHBondContact O-N 2.83Å; K101-K103 VanDerWaalsContact O-N 3.15Å; K101-L104 PolarHBondContact O-N 2.84Å; K101-L104 VanDerWaalsContact O-N 3.13Å; K101-Y216 HydrophobicContact CD-CD1 3.59Å; K101-Y216 HydrophobicContact CD-CE1 4.46Å; K101-Y216 HydrophobicContact CD-CG 4.42Å; K101-I218 HydrophobicContact CB-CD1 4.06Å; K101-I218 HydrophobicContact CB-CG1 4.23Å; K101-R286 PolarHBondContact O-NH1 2.96Å; K101-L359 HydrophobicContact CB-CD2 3.6Å; K101-N362 PolarHBondContact N-ND2 2.81Å
102D91.9Very high93.7Very high93 Ų9325.9 Ų25.950%0.49713%0.129SC..G310 helixtrans-70.5-14.7-171.7-59.3-35.4000112.6G100 R286G100-D102 VanDerWaalsContact C-N 3.27Å; G100-D102 PolarHBondContact O-N 3.24Å; D102-R286 PolarHBondContact O-NE 3.43Å
103K93.5Very high93.9Very high109 Ų10925.2 Ų25.247%0.47413%0.126SC..G310 helixtrans-1104.3176.9-70.3-171.3174.9-170.60114G100 K101 R286 P287 N288G100-K103 PolarHBondContact O-N 2.83Å; K101-K103 PolarHBondContact O-N 2.83Å; K101-K103 VanDerWaalsContact O-N 3.15Å; K103-R286 WeakPolarHBondContact O-CB 3.27Å; K103-P287 HydrophobicContact CB-CG 4.01Å; K103-P287 HydrophobicContact CD-CG 4.2Å; K103-P287 HydrophobicContact CG-CG 4.21Å; K103-N288 VanDerWaalsContact O-CB 3.26Å; K103-N288 WeakPolarHBondContact O-CB 3.4Å; K103-N288 PolarHBondContact O-N 2.98Å
104L95.4Very high94.1Very high1 Ų125.1 Ų25.11%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-103.4133.9-179.1176.962.8000111.5L96 K101 I106 I218 R286 N288 L290 I355 I358L96-L104 HydrophobicContact CD2-CD1 4.16Å; K101-L104 PolarHBondContact O-N 2.84Å; K101-L104 VanDerWaalsContact O-N 3.13Å; L104-I106 HydrophobicContact CD1-CD1 4.34Å; L104-I106 HydrophobicContact CD2-CD1 4.36Å; L104-I106 HydrophobicContact CG-CD1 4.22Å; L104-I218 HydrophobicContact CD2-CD1 4.47Å; L104-I218 HydrophobicContact CG-CG2 4.38Å; L104-I218 WeakPolarHBondContact O-CG2 3.43Å; L104-R286 VanDerWaalsContact C-CD 3.41Å; L104-R286 WeakPolarHBondContact O-CD 3.48Å; L104-R286 PolarHBondContact O-NH1 3.27Å; L104-N288 CarbonylContact C-O 3.57Å; L104-N288 WeakPolarHBondContact CA-O 3.46Å; L104-L290 HydrophobicContact CD1-CB 4.41Å; L104-I355 HydrophobicContact CD2-CD1 3.78Å; L104-I358 HydrophobicContact CD2-CD1 4.29Å; L104-I358 HydrophobicContact CD2-CG2 4.26Å
105E95.7Very high94.5Very high4 Ų423.5 Ų23.52%0.01912%0.118CC..EExtended strand (participates in β ladder)trans-130.3151.2169177.2156.1-169.100109.7P219 R246 P284 K285 R286 N288 V289 L290E105-P219 HydrophobicContact CG-CB 4Å; E105-R246 IonicContact OE1-NH2 3.86Å; E105-R246 PolarHBondContact OE1-NH2 3.08Å; E105-P284 HydrophobicContact CG-CB 4.21Å; E105-P284 WeakPolarHBondContact OE1-CA 3.21Å; E105-P284 VanDerWaalsContact OE2-CA 3.26Å; E105-P284 WeakPolarHBondContact OE2-CA 3.34Å; E105-P284 WeakPolarHBondContact OE2-CB 3.44Å; E105-K285 PolarHBondContact OE2-N 3.48Å; E105-R286 HydrophobicContact CB-CB 3.82Å; E105-R286 HydrophobicContact CB-CG 4.27Å; E105-R286 PolarHBondContact OE2-N 2.74Å; E105-N288 PolarHBondContact N-O 3.18Å; E105-V289 VanDerWaalsContact O-CA 3.29Å; E105-V289 WeakPolarHBondContact O-CA 3.09Å; E105-L290 PolarHBondContact O-N 2.65Å
106I97.5Very high94.7Very high0 Ų023.5 Ų23.50%012%0.117CC..EExtended strand (participates in β ladder)trans-107.1132.1178.7-45.5-57000108.4L104 F209 L213 I218 P219 V220 L221 L290 L292 I355L104-I106 HydrophobicContact CD1-CD1 4.34Å; L104-I106 HydrophobicContact CD2-CD1 4.36Å; L104-I106 HydrophobicContact CG-CD1 4.22Å; I106-F209 HydrophobicContact CG2-CE1 4.19Å; I106-F209 HydrophobicContact CG2-CZ 4Å; I106-L213 HydrophobicContact CD1-CD2 3.95Å; I106-L213 HydrophobicContact CG1-CD1 3.75Å; I106-L213 HydrophobicContact CG1-CD2 3.73Å; I106-L213 HydrophobicContact CG1-CG 4.39Å; I106-I218 HydrophobicContact CD1-CG2 4.35Å; I106-I218 HydrophobicContact CG1-CG2 4.05Å; I106-P219 PolarHBondContact N-O 3.1Å; I106-V220 HydrophobicContact CB-CB 4.5Å; I106-V220 HydrophobicContact CB-CG1 4.33Å; I106-V220 HydrophobicContact CB-CG2 4.18Å; I106-V220 HydrophobicContact CG1-CG2 4.26Å; I106-V220 WeakPolarHBondContact O-CA 3.28Å; I106-L221 PolarHBondContact O-N 3.18Å; I106-L290 WeakPolarHBondContact CA-O 3.46Å; I106-L290 HydrophobicContact CD1-CB 3.72Å; I106-L290 HydrophobicContact CD1-CD2 4.13Å; I106-L290 HydrophobicContact CD1-CG 4.42Å; I106-L292 HydrophobicContact CG2-CD1 4.41Å; I106-I355 HydrophobicContact CD1-CD1 3.85Å
107I97.1Very high94.9Very high0 Ų025.7 Ų25.70%013%0.126CC..EExtended strand (participates in β ladder)trans-121.6125.2168.5-50.4173.7000107.4L221 F223 P284 V289 L290 L291 L292 M301 A302I107-L221 WeakPolarHBondContact CA-O 3.38Å; I107-L221 HydrophobicContact CG1-CB 4.46Å; I107-L221 HydrophobicContact CG2-CB 4.5Å; I107-L221 HydrophobicContact CG2-CD2 4.2Å; I107-L221 HydrophobicContact CG2-CG 4.4Å; I107-F223 HydrophobicContact CG2-CB 4.34Å; I107-P284 HydrophobicContact CD1-CB 4.1Å; I107-P284 HydrophobicContact CD1-CG 3.33Å; I107-P284 HydrophobicContact CG1-CG 3.9Å; I107-V289 HydrophobicContact CB-CG1 4.2Å; I107-V289 HydrophobicContact CD1-CG1 3.69Å; I107-V289 HydrophobicContact CD1-CG2 4.18Å; I107-V289 HydrophobicContact CG1-CG1 3.75Å; I107-L290 PolarHBondContact N-O 2.64Å; I107-L291 CarbonylContact O-C 3.48Å; I107-L291 VanDerWaalsContact O-CA 3.28Å; I107-L291 WeakPolarHBondContact O-CA 3.49Å; I107-L292 PolarHBondContact O-N 3.07Å; I107-M301 HydrophobicContact CG2-CB 3.77Å; I107-M301 HydrophobicContact CG2-CE 4.23Å; I107-M301 HydrophobicContact CG2-SD 4.16Å; I107-A302 HydrophobicContact CD1-CB 4.01Å
108T98.3Very high95.1Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-137.7139.7-176-175.70000110.8L114 V220 L221 V222 F223 L292T108-L114 HydrophobicContact CG2-CD1 3.76Å; T108-L114 HydrophobicContact CG2-CD2 4.34Å; T108-L114 HydrophobicContact CG2-CG 4.2Å; T108-V220 HydrophobicContact CG2-CG1 4.3Å; T108-L221 PolarHBondContact N-O 3.35Å; T108-V222 HydrophobicContact CG2-CB 4.49Å; T108-V222 HydrophobicContact CG2-CG2 4Å; T108-V222 CarbonylContact O-C 3.54Å; T108-V222 VanDerWaalsContact O-CA 3.3Å; T108-V222 WeakPolarHBondContact O-CA 3.47Å; T108-F223 PolarHBondContact O-N 2.83Å; T108-L292 CarbonylContact C-O 3.27Å; T108-L292 VanDerWaalsContact CA-O 3.32Å; T108-L292 WeakPolarHBondContact CA-O 3.33Å
109D98.3Very high95.2Very high7 Ų725.2 Ų25.24%0.03712%0.124CC..  trans-69.6166.9159.1-176.462.8000110.5D111 T113 L114 F223 S224 K273 L292 M301D109-D111 PolarHBondContact OD2-N 3.01Å; D109-T113 HydrophobicContact CB-CG2 4.33Å; D109-L114 WeakPolarHBondContact O-CD1 3.4Å; D109-L114 WeakPolarHBondContact O-CG 3.43Å; D109-F223 WeakPolarHBondContact CA-O 3.34Å; D109-S224 VanDerWaalsContact OD1-CA 3.31Å; D109-S224 WeakPolarHBondContact OD1-CA 3.39Å; D109-S224 WeakPolarHBondContact OD1-CB 3.45Å; D109-S224 PolarHBondContact OD1-OG 2.82Å; D109-K273 VanDerWaalsContact CG-NZ 3.32Å; D109-K273 IonicContact OD1-NZ 2.8Å; D109-K273 PolarHBondContact OD1-NZ 3.47Å; D109-L292 PolarHBondContact N-O 2.91Å; D109-M301 HydrophobicContact CB-CE 4.4Å
110F98.6Very high95.3Very high0 Ų030.9 Ų30.90%015%0.152CC..  trans-104.5-61175.5-177.9-92000113.2R112 T113 L114 S115 L200 L202 V222 I231 L235F110-R112 PolarHBondContact O-N 3.23Å; F110-T113 PolarHBondContact O-N 2.9Å; F110-L114 HydrophobicContact CD2-CB 4.08Å; F110-L114 HydrophobicContact CD2-CD1 3.89Å; F110-L114 PolarHBondContact O-N 3.09Å; F110-S115 PolarHBondContact O-N 3.26Å; F110-S115 PolarHBondContact O-OG 3.47Å; F110-L200 HydrophobicContact CE1-CD1 4.37Å; F110-L200 HydrophobicContact CE1-CD2 3.72Å; F110-L200 HydrophobicContact CE1-CG 4.4Å; F110-L200 HydrophobicContact CZ-CD2 3.92Å; F110-L202 HydrophobicContact CE2-CD2 3.77Å; F110-L202 HydrophobicContact CZ-CD2 4.01Å; F110-V222 HydrophobicContact CB-CG1 3.94Å; F110-V222 HydrophobicContact CD2-CG1 4.47Å; F110-I231 HydrophobicContact CB-CD1 3.96Å; F110-I231 HydrophobicContact CB-CG1 4.14Å; F110-I231 HydrophobicContact CB-CG2 4.22Å; F110-I231 HydrophobicContact CD1-CB 4.46Å; F110-I231 HydrophobicContact CD1-CD1 4.19Å; F110-I231 HydrophobicContact CD1-CG1 3.59Å; F110-I231 HydrophobicContact CD1-CG2 4.43Å; F110-I231 HydrophobicContact CD2-CB 4.41Å; F110-I231 HydrophobicContact CD2-CG1 4.31Å; F110-I231 HydrophobicContact CD2-CG2 3.59Å; F110-I231 HydrophobicContact CE1-CG1 4Å; F110-I231 HydrophobicContact CE2-CG2 3.99Å; F110-I231 HydrophobicContact CG-CB 4.33Å; F110-I231 HydrophobicContact CG-CD1 4.14Å; F110-I231 HydrophobicContact CG-CG1 3.74Å; F110-I231 HydrophobicContact CG-CG2 3.83Å; F110-L235 HydrophobicContact CD2-CD2 4.41Å; F110-L235 HydrophobicContact CE2-CD2 3.95Å; F110-L235 HydrophobicContact CE2-CG 4.08Å
111D97.9Very high95.2Very high16 Ų1633.7 Ų33.79%0.08618%0.181CC..THydrogen-bonded Turntrans-69.3123.8-169.9-83.7-47.3000109.9D109 T113 S115 T126 S127D109-D111 PolarHBondContact OD2-N 3.01Å; D111-T113 PolarHBondContact O-N 3.09Å; D111-S115 WeakPolarHBondContact CA-OG 2.91Å; D111-T126 HydrophobicContact CB-CG2 4.21Å; D111-T126 WeakPolarHBondContact OD1-CA 3.12Å; D111-S127 VanDerWaalsContact CG-N 3.34Å; D111-S127 PolarHBondContact OD1-N 2.91Å; D111-S127 VanDerWaalsContact OD2-CB 3.31Å; D111-S127 WeakPolarHBondContact OD2-CB 3.47Å; D111-S127 PolarHBondContact OD2-N 3.29Å; D111-S127 PolarHBondContact OD2-OG 3.21Å
112R97Very high95.2Very high35 Ų3538.1 Ų38.113%0.13220%0.203CC..THydrogen-bonded Turntrans62.5-2.5-176.8-42.7-53.5-165.6-178.10.1115.1F110 S115 K116 Y117 V124 T126 R203 D294 N324F110-R112 PolarHBondContact O-N 3.23Å; R112-S115 CarbonylContact C-O 3.54Å; R112-S115 VanDerWaalsContact C-O 3.28Å; R112-S115 VanDerWaalsContact CA-O 3.29Å; R112-S115 WeakPolarHBondContact CA-O 3.14Å; R112-S115 PolarHBondContact N-OG 3.29Å; R112-K116 PolarHBondContact NH1-O 2.92Å; R112-K116 VanDerWaalsContact NH1-O 3.07Å; R112-Y117 HydrophobicContact CG-CD2 4.5Å; R112-Y117 PolarHBondContact NH1-O 3.38Å; R112-V124 PolarHBondContact NH1-O 3.08Å; R112-V124 PolarHBondContact NH2-O 3.2Å; R112-T126 HydrophobicContact CG-CG2 4.44Å; R112-R203 PolarHBondContact O-NH2 2.6Å; R112-D294 HydrophobicContact CB-CB 4.27Å; R112-D294 WeakPolarHBondContact CB-OD2 3.39Å; R112-N324 PolarHBondContact O-ND2 3.16Å
113T98.3Very high95.3Very high0 Ų038.7 Ų38.70%021%0.205CC..THydrogen-bonded Turntrans-99.3-75.5168.8-63.50000109.6D109 F110 D111 R203 L292 G293 D294 F322 F348D109-T113 HydrophobicContact CB-CG2 4.33Å; F110-T113 PolarHBondContact O-N 2.9Å; D111-T113 PolarHBondContact O-N 3.09Å; T113-R203 WeakPolarHBondContact O-CD 3.44Å; T113-R203 PolarHBondContact O-NE 3.06Å; T113-L292 HydrophobicContact CG2-CB 3.99Å; T113-G293 VanDerWaalsContact OG1-C 3.28Å; T113-G293 WeakPolarHBondContact OG1-CA 3.43Å; T113-D294 WeakPolarHBondContact OG1-CB 3.37Å; T113-D294 PolarHBondContact OG1-N 3.09Å; T113-D294 PolarHBondContact OG1-OD1 3.33Å; T113-F322 HydrophobicContact CG2-CD2 4.03Å; T113-F322 HydrophobicContact CG2-CE2 4.11Å; T113-F348 HydrophobicContact CG2-CZ 4.42Å; T113-F348 WeakPolarHBondContact O-CE2 3.21Å
114L98.5Very high95.4Very high0 Ų033.8 Ų33.80%018%0.184CC..THydrogen-bonded Turntrans-72.3-39.2173.8-69.3168.4000111.7T108 D109 F110 L202 R203 V206 F210 V222 F348T108-L114 HydrophobicContact CG2-CD1 3.76Å; T108-L114 HydrophobicContact CG2-CD2 4.34Å; T108-L114 HydrophobicContact CG2-CG 4.2Å; D109-L114 WeakPolarHBondContact O-CD1 3.4Å; D109-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 HydrophobicContact CD2-CB 4.08Å; F110-L114 HydrophobicContact CD2-CD1 3.89Å; F110-L114 PolarHBondContact O-N 3.09Å; L114-L202 HydrophobicContact CB-CD2 4.34Å; L114-L202 CarbonylContact O-C 3.59Å; L114-L202 WeakPolarHBondContact O-CA 3.48Å; L114-R203 PolarHBondContact O-N 3.4Å; L114-V206 HydrophobicContact CD2-CG1 3.97Å; L114-V206 HydrophobicContact CD2-CG2 4.12Å; L114-F210 HydrophobicContact CD1-CE2 4.27Å; L114-F210 HydrophobicContact CD1-CZ 3.77Å; L114-F210 HydrophobicContact CD2-CE1 4.26Å; L114-F210 HydrophobicContact CD2-CE2 4.1Å; L114-F210 HydrophobicContact CD2-CZ 3.51Å; L114-F210 HydrophobicContact CG-CZ 4.32Å; L114-V222 HydrophobicContact CD1-CG1 4.2Å; L114-V222 HydrophobicContact CD1-CG2 4.16Å; L114-F348 HydrophobicContact CD2-CE1 3.69Å; L114-F348 HydrophobicContact CD2-CE2 4.47Å; L114-F348 HydrophobicContact CD2-CZ 3.59Å; L114-F348 HydrophobicContact CG-CZ 4.39Å
115S98Very high95.4Very high0 Ų034.7 Ų34.70%019%0.19CC..BIsolated β-bridgetrans-79.3150.6172.469.80000111.1F110 D111 R112 V201 R203F110-S115 PolarHBondContact O-N 3.26Å; F110-S115 PolarHBondContact O-OG 3.47Å; D111-S115 WeakPolarHBondContact CA-OG 2.91Å; R112-S115 CarbonylContact C-O 3.54Å; R112-S115 VanDerWaalsContact C-O 3.28Å; R112-S115 VanDerWaalsContact CA-O 3.29Å; R112-S115 WeakPolarHBondContact CA-O 3.14Å; R112-S115 PolarHBondContact N-OG 3.29Å; S115-V201 CarbonylContact C-O 3.59Å; S115-V201 VanDerWaalsContact CA-O 3.31Å; S115-V201 WeakPolarHBondContact CA-O 3.28Å; S115-R203 PolarHBondContact O-NE 2.93Å
116K96.9Very high95.4Very high25 Ų2536.5 Ų36.511%0.10920%0.202CC..  trans-66.6152.5175.9-67.3-172.5-179.6-171.40110.6R112 V124 V201 L202 R203 D204R112-K116 PolarHBondContact NH1-O 2.92Å; R112-K116 VanDerWaalsContact NH1-O 3.07Å; K116-V124 HydrophobicContact CB-CG2 4.04Å; K116-V124 WeakPolarHBondContact O-CB 2.94Å; K116-V201 HydrophobicContact CB-CG1 4.16Å; K116-V201 HydrophobicContact CD-CG1 4.05Å; K116-V201 HydrophobicContact CG-CG1 4.25Å; K116-V201 PolarHBondContact N-O 3.3Å; K116-L202 WeakPolarHBondContact CE-O 3.48Å; K116-R203 HydrophobicContact CG-CB 4.41Å; K116-R203 HydrophobicContact CG-CG 3.86Å; K116-D204 WeakPolarHBondContact CE-OD1 3.31Å; K116-D204 IonicContact NZ-OD1 2.68Å; K116-D204 PolarHBondContact NZ-OD1 3.47Å; K116-D204 IonicContact NZ-OD2 3.17Å
117Y95.3Very high95.4Very high47 Ų4736.5 Ų36.518%0.18420%0.202CC..SBendtrans-78.9-43165.4176.8-105.6000111.2R112 L123 V124 N324 E325 D345R112-Y117 HydrophobicContact CG-CD2 4.5Å; R112-Y117 PolarHBondContact NH1-O 3.38Å; Y117-L123 HydrophobicContact CD1-CD2 4.17Å; Y117-L123 HydrophobicContact CD2-CD2 4.36Å; Y117-L123 HydrophobicContact CE1-CD2 3.63Å; Y117-L123 HydrophobicContact CE2-CD2 3.82Å; Y117-L123 HydrophobicContact CG-CD2 4.5Å; Y117-L123 VanDerWaalsContact CZ-CD2 3.41Å; Y117-V124 PolarHBondContact O-N 3Å; Y117-V124 VanDerWaalsContact O-N 3.08Å; Y117-N324 HydrophobicContact CD1-CB 3.99Å; Y117-N324 HydrophobicContact CD2-CB 3.72Å; Y117-N324 HydrophobicContact CE2-CB 4.33Å; Y117-N324 HydrophobicContact CG-CB 3.54Å; Y117-E325 HydrophobicContact CE1-CB 4.49Å; Y117-E325 PolarHBondContact OH-OE2 2.96Å; Y117-D345 WeakPolarHBondContact CB-OD1 3.28Å; Y117-D345 PolarHBondContact N-OD1 3.24Å; Y117-D345 PolarHBondContact N-OD2 2.99Å
118C93.1Very high95.3Very high38 Ų3838.1 Ų38.126%0.25721%0.208SC..EExtended strand (participates in β ladder)trans-138.5142.8-174.9-175.60000110.9G121 E122 D345C118-G121 VanDerWaalsContact SG-CA 3.55Å; C118-E122 CarbonylContact C-O 3.48Å; C118-E122 VanDerWaalsContact CA-O 3.29Å; C118-E122 WeakPolarHBondContact CA-O 3.1Å; C118-E122 PolarHBondContact SG-O 2.8Å; C118-E122 VanDerWaalsContact SG-O 3.32Å; C118-D345 PolarHBondContact N-OD2 3.36Å
119Q90.9Very high95.2Very high66 Ų6638.5 Ų38.531%0.30821%0.212SC..EExtended strand (participates in β ladder)trans-134.7120.2173.9179.265.144.900107.5G121 E122 V124 V201Q119-G121 PolarHBondContact O-N 3.43Å; Q119-G121 VanDerWaalsContact O-N 3.16Å; Q119-E122 PolarHBondContact N-O 3.48Å; Q119-E122 PolarHBondContact O-N 2.62Å; Q119-V124 HydrophobicContact CB-CG2 3.62Å; Q119-V201 HydrophobicContact CB-CG1 4.19Å; Q119-V201 HydrophobicContact CG-CG1 4.38Å
120D88.7Confident95Very high151 Ų15138.2 Ų38.281%0.80721%0.21SC*.THydrogen-bonded Turntrans55.332.2179-55.2-49.1000114.6
121G87.4Confident94.8Very high64 Ų6438.2 Ų38.266%0.6621%0.21SC*.THydrogen-bonded Turntrans91.1-8.1178.800000114.6C118 Q119C118-G121 VanDerWaalsContact SG-CA 3.55Å; Q119-G121 PolarHBondContact O-N 3.43Å; Q119-G121 VanDerWaalsContact O-N 3.16Å
122E91.5Very high94.4Very high145 Ų14539.7 Ų39.768%0.67822%0.216SC*.EExtended strand (participates in β ladder)trans-100.9141.9177.8-65.4-62.8150.700111.1C118 Q119 V124C118-E122 CarbonylContact C-O 3.48Å; C118-E122 VanDerWaalsContact CA-O 3.29Å; C118-E122 WeakPolarHBondContact CA-O 3.1Å; C118-E122 PolarHBondContact SG-O 2.8Å; C118-E122 VanDerWaalsContact SG-O 3.32Å; Q119-E122 PolarHBondContact N-O 3.48Å; Q119-E122 PolarHBondContact O-N 2.62Å; E122-V124 PolarHBondContact O-N 2.92Å
123L93.1Very high93.7Very high104 Ų10441.3 Ų41.355%0.54523%0.234SC..EExtended strand (participates in β ladder)trans-65.8125.2172.9-69.7177.1000109.4Y117Y117-L123 HydrophobicContact CD1-CD2 4.17Å; Y117-L123 HydrophobicContact CD2-CD2 4.36Å; Y117-L123 HydrophobicContact CE1-CD2 3.63Å; Y117-L123 HydrophobicContact CE2-CD2 3.82Å; Y117-L123 HydrophobicContact CG-CD2 4.5Å; Y117-L123 VanDerWaalsContact CZ-CD2 3.41Å
124V95.3Very high93.3Very high6 Ų641.7 Ų41.74%0.03624%0.235CC..PPolyproline II helixtrans-66.9147.6168.2175.40000107.3R112 K116 Y117 Q119 E122 L200 V201R112-V124 PolarHBondContact NH1-O 3.08Å; R112-V124 PolarHBondContact NH2-O 3.2Å; K116-V124 HydrophobicContact CB-CG2 4.04Å; K116-V124 WeakPolarHBondContact O-CB 2.94Å; Y117-V124 PolarHBondContact O-N 3Å; Y117-V124 VanDerWaalsContact O-N 3.08Å; Q119-V124 HydrophobicContact CB-CG2 3.62Å; E122-V124 PolarHBondContact O-N 2.92Å; V124-L200 HydrophobicContact CG1-CD1 4.1Å; V124-V201 HydrophobicContact CG1-CG1 3.99Å; V124-V201 HydrophobicContact CG2-CG1 3.67Å
125P95.3Very high92.6Very high20 Ų2046.5 Ų46.513%0.1327%0.267CS..PPolyproline II helixtrans-71.8158.6173.623.8-28.6000111.6I130 S198 L200P125-I130 HydrophobicContact CB-CG2 4.28Å; P125-I130 HydrophobicContact CG-CG2 4.24Å; P125-S198 WeakPolarHBondContact CG-O 3.37Å; P125-L200 WeakPolarHBondContact O-CD1 3.25Å
126T96.7Very high92.1Very high43 Ų4351.4 Ų51.426%0.26429%0.29SS..  trans-81.7174.3159.759.20000109.7D111 R112 Y128 G129 I130D111-T126 HydrophobicContact CB-CG2 4.21Å; D111-T126 WeakPolarHBondContact OD1-CA 3.12Å; R112-T126 HydrophobicContact CG-CG2 4.44Å; T126-Y128 PolarHBondContact O-N 3.36Å; T126-G129 WeakPolarHBondContact O-CA 3.27Å; T126-G129 PolarHBondContact O-N 3.44Å; T126-G129 PolarHBondContact OG1-N 3.37Å; T126-G129 VanDerWaalsContact OG1-N 3.13Å; T126-I130 WeakPolarHBondContact O-CG2 3.41Å; T126-I130 PolarHBondContact O-N 3.38Å; T126-I130 VanDerWaalsContact O-N 3.16Å
127S97.3Very high91.7Very high0 Ų050.8 Ų50.80%029%0.288CS..THydrogen-bonded Turntrans-56.6-33.617662.40000113.3D111 I130 G226 L227D111-S127 VanDerWaalsContact CG-N 3.34Å; D111-S127 PolarHBondContact OD1-N 2.91Å; D111-S127 VanDerWaalsContact OD2-CB 3.31Å; D111-S127 WeakPolarHBondContact OD2-CB 3.47Å; D111-S127 PolarHBondContact OD2-N 3.29Å; D111-S127 PolarHBondContact OD2-OG 3.21Å; S127-I130 WeakPolarHBondContact O-CG1 3.37Å; S127-G226 WeakPolarHBondContact OG-CA 3.14Å; S127-L227 PolarHBondContact OG-N 3.2Å
128Y95.8Very high91.5Very high33 Ų3352.8 Ų52.813%0.12931%0.305CS..THydrogen-bonded Turntrans-76.9-38.6167.8-75.5-85.7000112.6T126 I130 F131 W174 H178 I181 A225 L227T126-Y128 PolarHBondContact O-N 3.36Å; Y128-I130 PolarHBondContact O-N 3.37Å; Y128-I130 VanDerWaalsContact O-N 3.1Å; Y128-F131 PolarHBondContact O-N 2.86Å; Y128-F131 VanDerWaalsContact O-N 3.11Å; Y128-W174 AromaticContact CE2-NE1 3.78Å; Y128-W174 AromaticContact CZ-CD1 3.96Å; Y128-W174 AromaticContact CZ-NE1 3.91Å; Y128-W174 PolarHBondContact OH-NE1 3.33Å; Y128-H178 AromaticContact CE1-CD2 3.89Å; Y128-H178 AromaticContact CE1-NE2 3.96Å; Y128-H178 AromaticContact CZ-NE2 3.78Å; Y128-H178 PolarHBondContact OH-NE2 3.09Å; Y128-I181 HydrophobicContact CD1-CD1 3.77Å; Y128-I181 HydrophobicContact CE1-CD1 4.01Å; Y128-A225 WeakPolarHBondContact CE2-O 3.36Å; Y128-L227 HydrophobicContact CD1-CD1 3.79Å; Y128-L227 HydrophobicContact CD1-CD2 4.04Å; Y128-L227 HydrophobicContact CD1-CG 3.76Å; Y128-L227 HydrophobicContact CD2-CG 4.07Å; Y128-L227 HydrophobicContact CE1-CD1 4Å; Y128-L227 HydrophobicContact CE1-CD2 3.36Å; Y128-L227 HydrophobicContact CE1-CG 3.58Å; Y128-L227 HydrophobicContact CE2-CD2 4.17Å; Y128-L227 HydrophobicContact CE2-CG 3.92Å; Y128-L227 HydrophobicContact CG-CD1 4.15Å; Y128-L227 HydrophobicContact CG-CG 3.99Å; Y128-L227 VanDerWaalsContact CZ-CD2 3.44Å
129G94.8Very high91.5Very high8 Ų857 Ų578%0.08232%0.321CS..THydrogen-bonded Turntrans-59.6-21-176.700000114.3T126 F131 E132T126-G129 WeakPolarHBondContact O-CA 3.27Å; T126-G129 PolarHBondContact O-N 3.44Å; T126-G129 PolarHBondContact OG1-N 3.37Å; T126-G129 VanDerWaalsContact OG1-N 3.13Å; G129-F131 PolarHBondContact O-N 3.16Å; G129-F131 VanDerWaalsContact O-N 3.16Å; G129-E132 WeakPolarHBondContact O-CB 3.27Å; G129-E132 PolarHBondContact O-N 3.37Å
130I95Very high91.7Very high1 Ų158.9 Ų58.91%0.00534%0.337CS..Hα-helixtrans-57.8-29.7175.578.1174.2000112.4P125 T126 S127 Y128 S133 D134 T194 V195 S198 V230P125-I130 HydrophobicContact CB-CG2 4.28Å; P125-I130 HydrophobicContact CG-CG2 4.24Å; T126-I130 WeakPolarHBondContact O-CG2 3.41Å; T126-I130 PolarHBondContact O-N 3.38Å; T126-I130 VanDerWaalsContact O-N 3.16Å; S127-I130 WeakPolarHBondContact O-CG1 3.37Å; Y128-I130 PolarHBondContact O-N 3.37Å; Y128-I130 VanDerWaalsContact O-N 3.1Å; I130-S133 PolarHBondContact O-OG 3.02Å; I130-D134 PolarHBondContact O-N 2.95Å; I130-T194 HydrophobicContact CD1-CG2 3.97Å; I130-T194 HydrophobicContact CG1-CG2 4.26Å; I130-V195 HydrophobicContact CD1-CG2 3.93Å; I130-S198 VanDerWaalsContact CG2-CB 3.46Å; I130-V230 HydrophobicContact CD1-CB 4.28Å; I130-V230 HydrophobicContact CD1-CG1 3.75Å; I130-V230 HydrophobicContact CD1-CG2 3.51Å; I130-V230 HydrophobicContact CG2-CG1 4.41Å
131F94Very high92Very high0 Ų052 Ų520%030%0.301CS..Hα-helixtrans-81-20.5179.5-69.2-55.7000112.8Y128 G129 S133 L137 L145 I181 I186 L191 T194 L227 M252Y128-F131 PolarHBondContact O-N 2.86Å; Y128-F131 VanDerWaalsContact O-N 3.11Å; G129-F131 PolarHBondContact O-N 3.16Å; G129-F131 VanDerWaalsContact O-N 3.16Å; F131-S133 PolarHBondContact O-N 3.06Å; F131-L137 HydrophobicContact CB-CD2 3.58Å; F131-L137 HydrophobicContact CD1-CD1 4.29Å; F131-L137 HydrophobicContact CD1-CD2 3.72Å; F131-L137 HydrophobicContact CG-CD2 4Å; F131-L137 WeakPolarHBondContact O-CD2 3.34Å; F131-L145 HydrophobicContact CB-CD1 3.83Å; F131-I181 HydrophobicContact CD2-CD1 3.83Å; F131-I181 HydrophobicContact CD2-CG1 4.07Å; F131-I181 HydrophobicContact CD2-CG2 4.3Å; F131-I181 HydrophobicContact CE2-CD1 4.07Å; F131-I181 HydrophobicContact CE2-CG1 4.38Å; F131-I181 HydrophobicContact CE2-CG2 3.85Å; F131-I181 HydrophobicContact CZ-CG2 4.13Å; F131-I186 HydrophobicContact CD1-CD1 4.35Å; F131-I186 HydrophobicContact CE1-CD1 3.79Å; F131-I186 HydrophobicContact CE1-CG1 4.19Å; F131-I186 HydrophobicContact CZ-CD1 4.48Å; F131-I186 HydrophobicContact CZ-CG1 4.4Å; F131-L191 HydrophobicContact CE1-CD1 4.35Å; F131-L191 HydrophobicContact CZ-CD1 3.9Å; F131-T194 HydrophobicContact CD1-CG2 4.4Å; F131-T194 HydrophobicContact CE1-CG2 4.22Å; F131-L227 HydrophobicContact CD2-CD1 3.99Å; F131-L227 HydrophobicContact CE2-CD1 3.47Å; F131-L227 VanDerWaalsContact CE2-CD1 3.47Å; F131-M252 HydrophobicContact CE2-CE 3.94Å; F131-M252 HydrophobicContact CZ-CE 3.93Å
132E89.2Confident92.4Very high47 Ų4750 Ų5022%0.2227%0.274CS..Hα-helixtrans-67.5-24.6173.6-62.3-175.1-171.400111.2G129 L145 I146 R149G129-E132 WeakPolarHBondContact O-CB 3.27Å; G129-E132 PolarHBondContact O-N 3.37Å; E132-L145 HydrophobicContact CG-CB 4.2Å; E132-I146 HydrophobicContact CB-CG1 4.34Å; E132-I146 HydrophobicContact CG-CG1 4.03Å; E132-R149 IonicContact OE1-CZ 2.96Å; E132-R149 IonicContact OE1-NE 2.86Å; E132-R149 PolarHBondContact OE1-NE 3.38Å; E132-R149 IonicContact OE1-NH2 2.98Å; E132-R149 IonicContact OE2-CZ 3.06Å; E132-R149 IonicContact OE2-NE 3.98Å; E132-R149 PolarHBondContact OE2-NE 3.46Å; E132-R149 IonicContact OE2-NH2 2.88Å; E132-R149 PolarHBondContact OE2-NH2 2.67Å
133S83.4Confident92.6Very high70 Ų7045.8 Ų45.849%0.4926%0.261SS..Hα-helixtrans-110.7-3.9-179.757.90000115I130 F131 P135I130-S133 PolarHBondContact O-OG 3.02Å; F131-S133 PolarHBondContact O-N 3.06Å; S133-P135 WeakPolarHBondContact O-CD 3.43Å
134D88.1Confident92.8Very high7 Ų743.4 Ų43.44%0.03725%0.25CS..  trans-65.1117.1-176.6-173.4-21.1000111.5I130 E136 L137 K142 T194I130-D134 PolarHBondContact O-N 2.95Å; D134-E136 PolarHBondContact O-N 3.45Å; D134-E136 VanDerWaalsContact O-N 3.16Å; D134-E136 WeakPolarHBondContact OD1-CB 3.47Å; D134-E136 PolarHBondContact OD1-N 3.13Å; D134-L137 HydrophobicContact CB-CB 4.4Å; D134-L137 HydrophobicContact CB-CD1 3.93Å; D134-L137 HydrophobicContact CB-CD2 4.41Å; D134-L137 HydrophobicContact CB-CG 4.46Å; D134-L137 PolarHBondContact O-N 3.39Å; D134-L137 WeakPolarHBondContact OD2-CD1 3.43Å; D134-K142 WeakPolarHBondContact O-CE 3.36Å; D134-K142 PolarHBondContact O-NZ 2.98Å; D134-T194 HydrophobicContact CB-CG2 4.16Å; D134-T194 WeakPolarHBondContact OD2-CG2 3.17Å; D134-T194 PolarHBondContact OD2-OG1 3.04Å
135P85.3Confident92.8Very high102 Ų10243.6 Ų43.666%0.66225%0.251SS*.THydrogen-bonded Turntrans-64-18.4-179.627.6-35.6000114.1S133S133-P135 WeakPolarHBondContact O-CD 3.43Å
136E86.7Confident92.8Very high103 Ų10345.3 Ų45.348%0.48126%0.259SS..THydrogen-bonded Turntrans-84.6-14179-59.9-171.6-173.500112.9D134 K193D134-E136 PolarHBondContact O-N 3.45Å; D134-E136 VanDerWaalsContact O-N 3.16Å; D134-E136 WeakPolarHBondContact OD1-CB 3.47Å; D134-E136 PolarHBondContact OD1-N 3.13Å; E136-K193 IonicContact OE1-NZ 3.05Å; E136-K193 PolarHBondContact OE1-NZ 3.39Å
137L89.5Confident92.9Very high12 Ų1248.1 Ų48.16%0.06327%0.272CS..SBendtrans-82.4146.2176.7-91.658.2000112.1F131 D134 K142 C184 I186F131-L137 HydrophobicContact CB-CD2 3.58Å; F131-L137 HydrophobicContact CD1-CD1 4.29Å; F131-L137 HydrophobicContact CD1-CD2 3.72Å; F131-L137 HydrophobicContact CG-CD2 4Å; F131-L137 WeakPolarHBondContact O-CD2 3.34Å; D134-L137 HydrophobicContact CB-CB 4.4Å; D134-L137 HydrophobicContact CB-CD1 3.93Å; D134-L137 HydrophobicContact CB-CD2 4.41Å; D134-L137 HydrophobicContact CB-CG 4.46Å; D134-L137 PolarHBondContact O-N 3.39Å; D134-L137 WeakPolarHBondContact OD2-CD1 3.43Å; L137-K142 HydrophobicContact CB-CG 4.25Å; L137-K142 VanDerWaalsContact O-CE 3.27Å; L137-K142 WeakPolarHBondContact O-CE 3.46Å; L137-K142 PolarHBondContact O-NZ 3.16Å; L137-C184 HydrophobicContact CG-CB 4.29Å; L137-I186 HydrophobicContact CD1-CD1 3.77Å
138T91.3Very high92.9Very high88 Ų8849 Ų4954%0.5428%0.276SS..  trans-65.6145.3174.670.80000111.1T140 A141 K142T138-T140 PolarHBondContact O-N 3.07Å; T138-A141 PolarHBondContact O-N 2.85Å; T138-A141 WeakPolarHBondContact OG1-CB 3.49Å; T138-A141 PolarHBondContact OG1-N 3.38Å; T138-K142 PolarHBondContact O-N 2.65Å; T138-K142 VanDerWaalsContact O-N 3.11Å
139E93.1Very high92.9Very high127 Ų12752 Ų5259%0.59329%0.288SS*.Hα-helixtrans-58.4-30175.6-67.4-56.4120.100112.6K142 S143E139-K142 IonicContact OE1-NZ 3.39Å; E139-K142 PolarHBondContact OE1-NZ 3.43Å; E139-S143 VanDerWaalsContact O-CB 3.24Å; E139-S143 WeakPolarHBondContact O-CB 3.17Å; E139-S143 PolarHBondContact O-N 3.18Å; E139-S143 PolarHBondContact O-OG 3.24Å
140T94.6Very high93Very high105 Ų10556.2 Ų56.264%0.64431%0.308SS*.Hα-helixtrans-62.8-45.9173.1-550000111.7T138 T144T138-T140 PolarHBondContact O-N 3.07Å; T140-T144 WeakPolarHBondContact O-CB 3.15Å; T140-T144 PolarHBondContact O-N 3.27Å; T140-T144 PolarHBondContact O-OG1 3.26Å
141A94.9Very high93.1Very high7 Ų761.5 Ų61.56%0.05833%0.331CS..Hα-helixtrans-65.1-47.2179.100000111.5T138 S143 T144 L145 V180 C184T138-A141 PolarHBondContact O-N 2.85Å; T138-A141 WeakPolarHBondContact OG1-CB 3.49Å; T138-A141 PolarHBondContact OG1-N 3.38Å; A141-S143 PolarHBondContact O-N 3.32Å; A141-T144 PolarHBondContact O-N 2.89Å; A141-T144 VanDerWaalsContact O-N 3.13Å; A141-L145 PolarHBondContact O-N 3.19Å; A141-V180 HydrophobicContact CB-CG1 3.99Å; A141-C184 WeakPolarHBondContact CB-SG 3.5Å
142K95.1Very high93.3Very high23 Ų2361.5 Ų61.510%0.133%0.331CS..Hα-helixtrans-56.4-50.4175.7-64175.3-170.8168.20111.5D134 L137 T138 E139 T144 L145 I146D134-K142 WeakPolarHBondContact O-CE 3.36Å; D134-K142 PolarHBondContact O-NZ 2.98Å; L137-K142 HydrophobicContact CB-CG 4.25Å; L137-K142 VanDerWaalsContact O-CE 3.27Å; L137-K142 WeakPolarHBondContact O-CE 3.46Å; L137-K142 PolarHBondContact O-NZ 3.16Å; T138-K142 PolarHBondContact O-N 2.65Å; T138-K142 VanDerWaalsContact O-N 3.11Å; E139-K142 IonicContact OE1-NZ 3.39Å; E139-K142 PolarHBondContact OE1-NZ 3.43Å; K142-T144 PolarHBondContact O-N 3.13Å; K142-L145 PolarHBondContact O-N 2.77Å; K142-I146 VanDerWaalsContact O-CG1 3.27Å; K142-I146 WeakPolarHBondContact O-CG1 3.44Å; K142-I146 PolarHBondContact O-N 3.49Å
143S95.7Very high93.6Very high56 Ų5663 Ų6339%0.39234%0.335SS..Hα-helixtrans-60-37.2178.6-61.30000111.8E139 A141 N147E139-S143 VanDerWaalsContact O-CB 3.24Å; E139-S143 WeakPolarHBondContact O-CB 3.17Å; E139-S143 PolarHBondContact O-N 3.18Å; E139-S143 PolarHBondContact O-OG 3.24Å; A141-S143 PolarHBondContact O-N 3.32Å; S143-N147 VanDerWaalsContact O-CB 3.31Å; S143-N147 WeakPolarHBondContact O-CB 3.4Å; S143-N147 PolarHBondContact O-N 2.82Å; S143-N147 PolarHBondContact O-ND2 3.49Å; S143-N147 VanDerWaalsContact O-ND2 3.09Å
144T97Very high94.1Very high53 Ų5363.3 Ų63.333%0.32534%0.335SS..Hα-helixtrans-67.7-47178.1-54.80000111.2T140 A141 K142 I146 N147 L148 V180T140-T144 WeakPolarHBondContact O-CB 3.15Å; T140-T144 PolarHBondContact O-N 3.27Å; T140-T144 PolarHBondContact O-OG1 3.26Å; A141-T144 PolarHBondContact O-N 2.89Å; A141-T144 VanDerWaalsContact O-N 3.13Å; K142-T144 PolarHBondContact O-N 3.13Å; T144-I146 PolarHBondContact O-N 3.2Å; T144-N147 PolarHBondContact O-N 3.15Å; T144-L148 HydrophobicContact CG2-CD1 4.47Å; T144-L148 WeakPolarHBondContact O-CG 3.31Å; T144-L148 PolarHBondContact O-N 2.89Å; T144-V180 HydrophobicContact CG2-CG2 3.57Å
145L96.3Very high94.5Very high11 Ų1164.6 Ų64.66%0.05834%0.342CS..Hα-helixtrans-58.7-45.4175.8-68.8172.3000111.9F131 E132 A141 K142 N147 L148 R149 A177 V180 I181F131-L145 HydrophobicContact CB-CD1 3.83Å; E132-L145 HydrophobicContact CG-CB 4.2Å; A141-L145 PolarHBondContact O-N 3.19Å; K142-L145 PolarHBondContact O-N 2.77Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 3.48Å; L145-L148 PolarHBondContact O-N 2.92Å; L145-R149 PolarHBondContact O-N 3.05Å; L145-A177 HydrophobicContact CD2-CB 4.17Å; L145-V180 HydrophobicContact CD2-CB 4.17Å; L145-V180 HydrophobicContact CD2-CG1 4.07Å; L145-V180 HydrophobicContact CG-CG1 3.94Å; L145-I181 HydrophobicContact CD1-CG1 4.48Å; L145-I181 HydrophobicContact CD2-CG1 4.3Å
146I95.5Very high94.9Very high56 Ų5661.4 Ų61.429%0.28732%0.318SS..Hα-helixtrans-61.1-43176.3-66.3166.9000110.9E132 K142 T144 R149 N150E132-I146 HydrophobicContact CB-CG1 4.34Å; E132-I146 HydrophobicContact CG-CG1 4.03Å; K142-I146 VanDerWaalsContact O-CG1 3.27Å; K142-I146 WeakPolarHBondContact O-CG1 3.44Å; K142-I146 PolarHBondContact O-N 3.49Å; T144-I146 PolarHBondContact O-N 3.2Å; I146-R149 PolarHBondContact O-N 2.97Å; I146-N150 WeakPolarHBondContact O-CB 3.41Å; I146-N150 PolarHBondContact O-N 2.9Å; I146-N150 PolarHBondContact O-ND2 2.85Å
147N97.6Very high95Very high102 Ų10260.5 Ų60.555%0.54532%0.316SS..Hα-helixtrans-66.3-38.3178.4-74-25.7000112.5S143 T144 L145 N150 K151S143-N147 VanDerWaalsContact O-CB 3.31Å; S143-N147 WeakPolarHBondContact O-CB 3.4Å; S143-N147 PolarHBondContact O-N 2.82Å; S143-N147 PolarHBondContact O-ND2 3.49Å; S143-N147 VanDerWaalsContact O-ND2 3.09Å; T144-N147 PolarHBondContact O-N 3.15Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 3.48Å; N147-N150 PolarHBondContact O-N 2.95Å; N147-K151 WeakPolarHBondContact O-CB 3.49Å; N147-K151 PolarHBondContact O-N 3.22Å
148L98Very high95.1Very high17 Ų1762.4 Ų62.49%0.08933%0.327CS..Hα-helixtrans-60.7-50.1172.7-68.1173000110T144 L145 N150 K151 Y152 L176 A177 V180T144-L148 HydrophobicContact CG2-CD1 4.47Å; T144-L148 WeakPolarHBondContact O-CG 3.31Å; T144-L148 PolarHBondContact O-N 2.89Å; L145-L148 PolarHBondContact O-N 2.92Å; L148-N150 PolarHBondContact O-N 3.23Å; L148-K151 PolarHBondContact O-N 2.99Å; L148-K151 VanDerWaalsContact O-N 3.08Å; L148-Y152 HydrophobicContact CB-CD2 4.38Å; L148-Y152 HydrophobicContact CD2-CD2 4.37Å; L148-Y152 HydrophobicContact CD2-CE2 3.82Å; L148-Y152 WeakPolarHBondContact O-CD2 3.5Å; L148-Y152 PolarHBondContact O-N 2.96Å; L148-L176 HydrophobicContact CD1-CB 3.83Å; L148-L176 HydrophobicContact CD2-CB 3.78Å; L148-L176 HydrophobicContact CD2-CD1 3.7Å; L148-L176 HydrophobicContact CD2-CG 4.39Å; L148-L176 HydrophobicContact CG-CB 4.49Å; L148-A177 HydrophobicContact CD1-CB 4.34Å; L148-V180 HydrophobicContact CD1-CG2 4.47Å
149R95.8Very high94.8Very high98 Ų9863.2 Ų63.237%0.3733%0.328SS..Hα-helixtrans-56.6-47.5176.5-179.616859.890.7-5.3112.3E132 L145 I146 K151 Y152 Y153 W173E132-R149 IonicContact OE1-CZ 2.96Å; E132-R149 IonicContact OE1-NE 2.86Å; E132-R149 PolarHBondContact OE1-NE 3.38Å; E132-R149 IonicContact OE1-NH2 2.98Å; E132-R149 IonicContact OE2-CZ 3.06Å; E132-R149 IonicContact OE2-NE 3.98Å; E132-R149 PolarHBondContact OE2-NE 3.46Å; E132-R149 IonicContact OE2-NH2 2.88Å; E132-R149 PolarHBondContact OE2-NH2 2.67Å; L145-R149 PolarHBondContact O-N 3.05Å; I146-R149 PolarHBondContact O-N 2.97Å; R149-K151 PolarHBondContact O-N 3.04Å; R149-Y152 PolarHBondContact O-N 2.9Å; R149-Y153 WeakPolarHBondContact O-CB 3.26Å; R149-Y153 PolarHBondContact O-N 3Å; R149-W173 HydrophobicContact CB-CZ2 4Å; R149-W173 HydrophobicContact CG-CZ2 4.13Å
150N96.5Very high94.7Very high95 Ų9564.1 Ų64.151%0.50834%0.336SS..Hα-helixtrans-62.1-30178.5-70.9-21.3000113.1I146 N147 L148 P154I146-N150 WeakPolarHBondContact O-CB 3.41Å; I146-N150 PolarHBondContact O-N 2.9Å; I146-N150 PolarHBondContact O-ND2 2.85Å; N147-N150 PolarHBondContact O-N 2.95Å; L148-N150 PolarHBondContact O-N 3.23Å; N150-P154 WeakPolarHBondContact O-CD 3.37Å; N150-P154 WeakPolarHBondContact O-CG 3.43Å
151K97.8Very high94.6Very high112 Ų11261.7 Ų61.749%0.48732%0.319SS..Hα-helixtrans-78.1-46.2177.1179-177.9172.8-164.40112.2N147 L148 R149N147-K151 WeakPolarHBondContact O-CB 3.49Å; N147-K151 PolarHBondContact O-N 3.22Å; L148-K151 PolarHBondContact O-N 2.99Å; L148-K151 VanDerWaalsContact O-N 3.08Å; R149-K151 PolarHBondContact O-N 3.04Å
152Y97.8Very high94.5Very high0 Ų065.1 Ų65.10%034%0.339CS..Hα-helixtrans-99.4-31.3-165.6-69-75.1000114.7L148 R149 I155 E156 Y169 E172 W173 L176L148-Y152 HydrophobicContact CB-CD2 4.38Å; L148-Y152 HydrophobicContact CD2-CD2 4.37Å; L148-Y152 HydrophobicContact CD2-CE2 3.82Å; L148-Y152 WeakPolarHBondContact O-CD2 3.5Å; L148-Y152 PolarHBondContact O-N 2.96Å; R149-Y152 PolarHBondContact O-N 2.9Å; Y152-I155 HydrophobicContact CD1-CD1 4.22Å; Y152-I155 WeakPolarHBondContact O-CA 3.46Å; Y152-I155 WeakPolarHBondContact O-CB 2.88Å; Y152-I155 PolarHBondContact O-N 3.3Å; Y152-E156 PolarHBondContact O-N 3.21Å; Y152-Y169 WeakPolarHBondContact CD1-O 3.46Å; Y152-Y169 HydrophobicContact CE1-CD1 4.21Å; Y152-E172 HydrophobicContact CE1-CB 4.44Å; Y152-E172 WeakPolarHBondContact CE1-OE2 3.33Å; Y152-E172 WeakPolarHBondContact OH-CG 3.49Å; Y152-E172 PolarHBondContact OH-OE1 3.4Å; Y152-E172 PolarHBondContact OH-OE2 3.35Å; Y152-W173 HydrophobicContact CD1-CB 3.93Å; Y152-W173 HydrophobicContact CD2-CB 3.59Å; Y152-W173 AromaticContact CD2-CD1 3.66Å; Y152-W173 HydrophobicContact CD2-CD2 4.22Å; Y152-W173 AromaticContact CD2-CG 3.53Å; Y152-W173 HydrophobicContact CD2-CG 3.53Å; Y152-W173 HydrophobicContact CE1-CB 4.37Å; Y152-W173 HydrophobicContact CE2-CB 4.11Å; Y152-W173 HydrophobicContact CE2-CG 4.39Å; Y152-W173 HydrophobicContact CG-CB 3.52Å; Y152-W173 HydrophobicContact CG-CD2 4.02Å; Y152-W173 HydrophobicContact CG-CE3 4.37Å; Y152-W173 AromaticContact CG-CG 3.63Å; Y152-W173 HydrophobicContact CG-CG 3.63Å; Y152-L176 HydrophobicContact CE2-CD1 4.26Å
153Y95Very high94.3Very high79 Ų7968 Ų6831%0.3135%0.354SS..Hα-helixtrans-58.6-40.5179-171.6-120.2000113.1R149 I155 E156 L157 W173 E325R149-Y153 WeakPolarHBondContact O-CB 3.26Å; R149-Y153 PolarHBondContact O-N 3Å; Y153-I155 PolarHBondContact O-N 3.07Å; Y153-E156 WeakPolarHBondContact O-CB 2.66Å; Y153-E156 PolarHBondContact O-N 3.32Å; Y153-L157 HydrophobicContact CD1-CD1 4.1Å; Y153-L157 HydrophobicContact CE1-CD1 3.55Å; Y153-L157 HydrophobicContact CE1-CG 4.31Å; Y153-L157 HydrophobicContact CE2-CD1 4.29Å; Y153-L157 HydrophobicContact CE2-CD2 4.28Å; Y153-L157 HydrophobicContact CE2-CG 4.23Å; Y153-L157 PolarHBondContact O-N 3.26Å; Y153-W173 HydrophobicContact CD2-CH2 4.16Å; Y153-W173 HydrophobicContact CD2-CZ3 4.5Å; Y153-E325 PolarHBondContact OH-OE1 3.15Å
154P94.8Very high94.2Very high76 Ų7672 Ų7249%0.49437%0.37SS..Hα-helixtrans-60.5-31.7173.3-25.136.2000113.9N150 D158N150-P154 WeakPolarHBondContact O-CD 3.37Å; N150-P154 WeakPolarHBondContact O-CG 3.43Å; P154-D158 PolarHBondContact O-N 2.89Å; P154-D158 VanDerWaalsContact O-N 3.14Å
155I96.3Very high94.1Very high35 Ų3574.2 Ų74.218%0.17938%0.377CS..Hα-helixtrans-71.6-41.1177.6-56.6174.5000110.1Y152 Y153 L157 D158 L161 K166 Y169Y152-I155 HydrophobicContact CD1-CD1 4.22Å; Y152-I155 WeakPolarHBondContact O-CA 3.46Å; Y152-I155 WeakPolarHBondContact O-CB 2.88Å; Y152-I155 PolarHBondContact O-N 3.3Å; Y153-I155 PolarHBondContact O-N 3.07Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.25Å; I155-D158 PolarHBondContact O-N 3.07Å; I155-L161 HydrophobicContact CG2-CD1 3.9Å; I155-K166 HydrophobicContact CG2-CG 4.35Å; I155-K166 WeakPolarHBondContact O-CD 3.28Å; I155-K166 WeakPolarHBondContact O-CE 3.44Å; I155-Y169 HydrophobicContact CD1-CD1 3.95Å; I155-Y169 HydrophobicContact CD1-CE1 4.4Å; I155-Y169 HydrophobicContact CD1-CG 4.15Å; I155-Y169 HydrophobicContact CG2-CD2 3.99Å; I155-Y169 HydrophobicContact CG2-CG 4.09Å
156E93.8Very high94.1Very high35 Ų3574.1 Ų74.116%0.16438%0.376CS..Hα-helixtrans-54.9-44.7174.5-172.3-175.4157.300111.3Y152 Y153 K166 M170 W173 V270 F271Y152-E156 PolarHBondContact O-N 3.21Å; Y153-E156 WeakPolarHBondContact O-CB 2.66Å; Y153-E156 PolarHBondContact O-N 3.32Å; E156-K166 PolarHBondContact O-NZ 3.18Å; E156-M170 HydrophobicContact CB-CE 4.05Å; E156-M170 HydrophobicContact CB-SD 3.89Å; E156-M170 HydrophobicContact CG-SD 3.97Å; E156-W173 WeakPolarHBondContact OE2-CZ3 3.24Å; E156-V270 HydrophobicContact CG-CG1 3.94Å; E156-F271 HydrophobicContact CG-CZ 4.19Å
157L89.7Confident94.1Very high84 Ų8473.2 Ų73.244%0.4437%0.373SS..Hα-helixtrans-81.1-12.6-177.9-60.5-175.4000114.5Y153 I155 N159Y153-L157 HydrophobicContact CD1-CD1 4.1Å; Y153-L157 HydrophobicContact CE1-CD1 3.55Å; Y153-L157 HydrophobicContact CE1-CG 4.31Å; Y153-L157 HydrophobicContact CE2-CD1 4.29Å; Y153-L157 HydrophobicContact CE2-CD2 4.28Å; Y153-L157 HydrophobicContact CE2-CG 4.23Å; Y153-L157 PolarHBondContact O-N 3.26Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.25Å; L157-N159 PolarHBondContact O-N 2.82Å
158D90.1Very high94.1Very high52 Ų5272 Ų7228%0.27837%0.371SS..  trans-65.3109.2-171.2-169.3-13.9000112.5P154 I155 N160 L161 K166P154-D158 PolarHBondContact O-N 2.89Å; P154-D158 VanDerWaalsContact O-N 3.14Å; I155-D158 PolarHBondContact O-N 3.07Å; D158-N160 PolarHBondContact O-N 3.31Å; D158-N160 VanDerWaalsContact OD1-CB 3.28Å; D158-N160 WeakPolarHBondContact OD1-CB 2.8Å; D158-N160 PolarHBondContact OD1-N 3.02Å; D158-N160 PolarHBondContact OD1-ND2 3.43Å; D158-L161 HydrophobicContact CB-CD1 4.18Å; D158-L161 HydrophobicContact CB-CG 4.29Å; D158-L161 PolarHBondContact O-N 3.14Å; D158-K166 WeakPolarHBondContact O-CE 3.49Å; D158-K166 PolarHBondContact O-NZ 2.85Å
159N85.8Confident94.1Very high105 Ų10576.3 Ų76.356%0.56139%0.387SS*.THydrogen-bonded Turntrans-72.3-7.1179.9-67.9-53.4000113.9L157 K333L157-N159 PolarHBondContact O-N 2.82Å; N159-K333 PolarHBondContact OD1-NZ 3.14Å
160N90.7Very high94.2Very high145 Ų14571.6 Ų71.678%0.77537%0.369SS*.THydrogen-bonded Turntrans-87.1-12.5175.8-53.8-66.9000113.1D158D158-N160 PolarHBondContact O-N 3.31Å; D158-N160 VanDerWaalsContact OD1-CB 3.28Å; D158-N160 WeakPolarHBondContact OD1-CB 2.8Å; D158-N160 PolarHBondContact OD1-N 3.02Å; D158-N160 PolarHBondContact OD1-ND2 3.43Å
161L92.8Very high94.2Very high55 Ų5570 Ų7029%0.28836%0.36SS..SBendtrans-103.8137.3177.2-62177.1000110.3I155 D158 E165 K166I155-L161 HydrophobicContact CG2-CD1 3.9Å; D158-L161 HydrophobicContact CB-CD1 4.18Å; D158-L161 HydrophobicContact CB-CG 4.29Å; D158-L161 PolarHBondContact O-N 3.14Å; L161-E165 HydrophobicContact CB-CB 4.37Å; L161-E165 HydrophobicContact CD2-CB 4.39Å; L161-K166 HydrophobicContact CB-CD 4.35Å; L161-K166 HydrophobicContact CB-CG 3.78Å; L161-K166 HydrophobicContact CD1-CG 4.27Å; L161-K166 VanDerWaalsContact O-CE 3.28Å; L161-K166 WeakPolarHBondContact O-CE 3.28Å
162T92.6Very high94.2Very high78 Ų7868.3 Ų68.348%0.47935%0.354SS..  trans-71.3159169.963.90000111N164 E165 K166T162-N164 PolarHBondContact O-N 2.83Å; T162-E165 WeakPolarHBondContact CB-OE2 3.4Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.2Å; T162-E165 PolarHBondContact N-OE2 3.23Å; T162-E165 PolarHBondContact O-N 3.17Å; T162-E165 VanDerWaalsContact OG1-CD 3.31Å; T162-E165 VanDerWaalsContact OG1-CG 3.3Å; T162-E165 WeakPolarHBondContact OG1-CG 3.43Å; T162-E165 PolarHBondContact OG1-N 2.97Å; T162-E165 PolarHBondContact OG1-OE2 3.36Å; T162-K166 WeakPolarHBondContact O-CG 2.92Å; T162-K166 PolarHBondContact O-N 3.05Å
163E90.9Very high94.2Very high85 Ų8569.9 Ų69.940%0.39736%0.36SS..Hα-helixtrans-57.3-36.9176.1-63.4-179.9175.200112.3E165 K166 T167 F271E163-E165 PolarHBondContact O-N 3.39Å; E163-K166 PolarHBondContact O-N 3.21Å; E163-T167 WeakPolarHBondContact O-CB 3.38Å; E163-T167 PolarHBondContact O-N 2.56Å; E163-T167 PolarHBondContact O-OG1 2.72Å; E163-F271 HydrophobicContact CB-CB 4.46Å; E163-F271 HydrophobicContact CB-CD1 4.1Å; E163-F271 HydrophobicContact CB-CG 4.23Å; E163-F271 HydrophobicContact CG-CD1 3.76Å; E163-F271 HydrophobicContact CG-CE1 4.11Å; E163-F271 HydrophobicContact CG-CG 4.4Å
164N92.6Very high94.3Very high139 Ų13967.2 Ų67.274%0.74335%0.349SS*.Hα-helixtrans-64.8-37.7175.8-73.5-23000112.5T162 P168T162-N164 PolarHBondContact O-N 2.83Å; N164-P168 VanDerWaalsContact O-CD 3.31Å; N164-P168 WeakPolarHBondContact O-CD 3.44Å
165E96.5Very high94.5Very high99 Ų9968.5 Ų68.546%0.46335%0.349SS..Hα-helixtrans-71.3-32176.1-72.5163.6135.600112L161 T162 E163 Y169L161-E165 HydrophobicContact CB-CB 4.37Å; L161-E165 HydrophobicContact CD2-CB 4.39Å; T162-E165 WeakPolarHBondContact CB-OE2 3.4Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.2Å; T162-E165 PolarHBondContact N-OE2 3.23Å; T162-E165 PolarHBondContact O-N 3.17Å; T162-E165 VanDerWaalsContact OG1-CD 3.31Å; T162-E165 VanDerWaalsContact OG1-CG 3.3Å; T162-E165 WeakPolarHBondContact OG1-CG 3.43Å; T162-E165 PolarHBondContact OG1-N 2.97Å; T162-E165 PolarHBondContact OG1-OE2 3.36Å; E163-E165 PolarHBondContact O-N 3.39Å; E165-Y169 WeakPolarHBondContact O-CD2 3.19Å; E165-Y169 WeakPolarHBondContact O-CE2 3.36Å
166K96.1Very high94.6Very high10 Ų1069.3 Ų69.34%0.04335%0.353CS..Hα-helixtrans-79.1-30.4178-64.2176.4-177.7-178.10113.6I155 E156 D158 L161 T162 E163 Y169 M170 F271I155-K166 HydrophobicContact CG2-CG 4.35Å; I155-K166 WeakPolarHBondContact O-CD 3.28Å; I155-K166 WeakPolarHBondContact O-CE 3.44Å; E156-K166 PolarHBondContact O-NZ 3.18Å; D158-K166 WeakPolarHBondContact O-CE 3.49Å; D158-K166 PolarHBondContact O-NZ 2.85Å; L161-K166 HydrophobicContact CB-CD 4.35Å; L161-K166 HydrophobicContact CB-CG 3.78Å; L161-K166 HydrophobicContact CD1-CG 4.27Å; L161-K166 VanDerWaalsContact O-CE 3.28Å; L161-K166 WeakPolarHBondContact O-CE 3.28Å; T162-K166 WeakPolarHBondContact O-CG 2.92Å; T162-K166 PolarHBondContact O-N 3.05Å; E163-K166 PolarHBondContact O-N 3.21Å; K166-Y169 WeakPolarHBondContact O-CA 3.48Å; K166-Y169 WeakPolarHBondContact O-CB 3.29Å; K166-Y169 PolarHBondContact O-N 2.77Å; K166-M170 PolarHBondContact O-N 3.14Å; K166-F271 HydrophobicContact CB-CD2 4.06Å; K166-F271 HydrophobicContact CB-CE2 3.45Å; K166-F271 VanDerWaalsContact CB-CE2 3.45Å; K166-F271 HydrophobicContact CB-CZ 4.11Å; K166-F271 HydrophobicContact CD-CE1 4.4Å; K166-F271 HydrophobicContact CD-CE2 3.75Å; K166-F271 HydrophobicContact CD-CZ 3.5Å; K166-F271 VanDerWaalsContact CD-CZ 3.5Å; K166-F271 HydrophobicContact CG-CE2 4.28Å; K166-F271 HydrophobicContact CG-CZ 4.49Å
167T95.4Very high94.7Very high36 Ų3668 Ų6822%0.22135%0.348CS..Hα-helixtrans-52.4-46.2-172.6-69.90000113.8E163 Y169 M170 L171E163-T167 WeakPolarHBondContact O-CB 3.38Å; E163-T167 PolarHBondContact O-N 2.56Å; E163-T167 PolarHBondContact O-OG1 2.72Å; T167-Y169 VanDerWaalsContact C-N 3.28Å; T167-Y169 PolarHBondContact O-N 3.19Å; T167-M170 PolarHBondContact O-N 3.06Å; T167-M170 VanDerWaalsContact O-N 3.15Å; T167-L171 HydrophobicContact CG2-CD1 4.22Å; T167-L171 PolarHBondContact O-N 2.56Å
168P97.4Very high95.1Very high78 Ų7864.5 Ų64.551%0.50633%0.329SS..Hα-helixtrans-59-36.9176.2-2534.9000113.6N164 L171 E172N164-P168 VanDerWaalsContact O-CD 3.31Å; N164-P168 WeakPolarHBondContact O-CD 3.44Å; P168-L171 PolarHBondContact O-N 2.79Å; P168-E172 WeakPolarHBondContact O-CB 3.49Å; P168-E172 PolarHBondContact O-N 2.81Å
169Y97.9Very high95.5Very high106 Ų10667.3 Ų67.342%0.41634%0.341SS..Hα-helixtrans-70.8-35.4177.4-63.4-76.7000112.2Y152 I155 E165 K166 T167 W173Y152-Y169 WeakPolarHBondContact CD1-O 3.46Å; Y152-Y169 HydrophobicContact CE1-CD1 4.21Å; I155-Y169 HydrophobicContact CD1-CD1 3.95Å; I155-Y169 HydrophobicContact CD1-CE1 4.4Å; I155-Y169 HydrophobicContact CD1-CG 4.15Å; I155-Y169 HydrophobicContact CG2-CD2 3.99Å; I155-Y169 HydrophobicContact CG2-CG 4.09Å; E165-Y169 WeakPolarHBondContact O-CD2 3.19Å; E165-Y169 WeakPolarHBondContact O-CE2 3.36Å; K166-Y169 WeakPolarHBondContact O-CA 3.48Å; K166-Y169 WeakPolarHBondContact O-CB 3.29Å; K166-Y169 PolarHBondContact O-N 2.77Å; T167-Y169 VanDerWaalsContact C-N 3.28Å; T167-Y169 PolarHBondContact O-N 3.19Å; Y169-W173 WeakPolarHBondContact O-CB 3.31Å; Y169-W173 PolarHBondContact O-N 2.83Å
170M97.3Very high96Very high0 Ų063.1 Ų63.10%032%0.319CS..Hα-helixtrans-68.1-40.4175.2-60.6-58.69400111.2E156 K166 T167 W173 W174 H269 V270 F271E156-M170 HydrophobicContact CB-CE 4.05Å; E156-M170 HydrophobicContact CB-SD 3.89Å; E156-M170 HydrophobicContact CG-SD 3.97Å; K166-M170 PolarHBondContact O-N 3.14Å; T167-M170 PolarHBondContact O-N 3.06Å; T167-M170 VanDerWaalsContact O-N 3.15Å; M170-W173 HydrophobicContact CE-CE3 4.13Å; M170-W173 PolarHBondContact O-N 2.93Å; M170-W173 HydrophobicContact SD-CE3 4.19Å; M170-W174 HydrophobicContact CB-CE3 4.48Å; M170-W174 HydrophobicContact CB-CZ3 4.32Å; M170-W174 PolarHBondContact O-N 3.47Å; M170-W174 VanDerWaalsContact O-N 3.08Å; M170-W174 HydrophobicContact SD-CZ3 4.02Å; M170-H269 HydrophobicContact CB-CB 3.98Å; M170-V270 HydrophobicContact CG-CG1 4.43Å; M170-V270 HydrophobicContact SD-CG1 4.28Å; M170-F271 HydrophobicContact CG-CD2 3.63Å; M170-F271 HydrophobicContact CG-CE2 3.48Å; M170-F271 VanDerWaalsContact CG-CE2 3.48Å; M170-F271 HydrophobicContact SD-CE2 4.02Å
171L96.5Very high96.3Very high60 Ų6056.2 Ų56.231%0.31428%0.282SS..Hα-helixtrans-61.2-50.3174-71.1170000111.2T167 P168 W173 W174 E175 I267T167-L171 HydrophobicContact CG2-CD1 4.22Å; T167-L171 PolarHBondContact O-N 2.56Å; P168-L171 PolarHBondContact O-N 2.79Å; L171-W173 VanDerWaalsContact C-N 3.29Å; L171-W173 PolarHBondContact O-N 3.5Å; L171-W174 PolarHBondContact O-N 3.14Å; L171-E175 WeakPolarHBondContact O-CB 3.29Å; L171-E175 VanDerWaalsContact O-CG 3.31Å; L171-E175 WeakPolarHBondContact O-CG 3.34Å; L171-E175 PolarHBondContact O-N 2.7Å; L171-I267 HydrophobicContact CD2-CB 4.36Å; L171-I267 HydrophobicContact CD2-CG2 4.45Å
172E98.1Very high96.4Very high78 Ų7855.9 Ų55.936%0.36428%0.28SS..Hα-helixtrans-58.5-40.9178-168-170.1-167.300111.7Y152 P168 E175 L176Y152-E172 HydrophobicContact CE1-CB 4.44Å; Y152-E172 WeakPolarHBondContact CE1-OE2 3.33Å; Y152-E172 WeakPolarHBondContact OH-CG 3.49Å; Y152-E172 PolarHBondContact OH-OE1 3.4Å; Y152-E172 PolarHBondContact OH-OE2 3.35Å; P168-E172 WeakPolarHBondContact O-CB 3.49Å; P168-E172 PolarHBondContact O-N 2.81Å; E172-E175 PolarHBondContact O-N 3.38Å; E172-L176 HydrophobicContact CG-CD1 3.91Å; E172-L176 HydrophobicContact CG-CG 4.4Å; E172-L176 WeakPolarHBondContact O-CB 3.33Å; E172-L176 VanDerWaalsContact O-CG 3.24Å; E172-L176 WeakPolarHBondContact O-CG 3.38Å; E172-L176 PolarHBondContact O-N 3.12Å
173W98.1Very high96.6Very high33 Ų3360 Ų6013%0.12529%0.294CS..Hα-helixtrans-62.6-48.9178.4-176.713.2000112.1R149 Y152 Y153 E156 Y169 M170 L171 L176 A177R149-W173 HydrophobicContact CB-CZ2 4Å; R149-W173 HydrophobicContact CG-CZ2 4.13Å; Y152-W173 HydrophobicContact CD1-CB 3.93Å; Y152-W173 HydrophobicContact CD2-CB 3.59Å; Y152-W173 AromaticContact CD2-CD1 3.66Å; Y152-W173 HydrophobicContact CD2-CD2 4.22Å; Y152-W173 AromaticContact CD2-CG 3.53Å; Y152-W173 HydrophobicContact CD2-CG 3.53Å; Y152-W173 HydrophobicContact CE1-CB 4.37Å; Y152-W173 HydrophobicContact CE2-CB 4.11Å; Y152-W173 HydrophobicContact CE2-CG 4.39Å; Y152-W173 HydrophobicContact CG-CB 3.52Å; Y152-W173 HydrophobicContact CG-CD2 4.02Å; Y152-W173 HydrophobicContact CG-CE3 4.37Å; Y152-W173 AromaticContact CG-CG 3.63Å; Y152-W173 HydrophobicContact CG-CG 3.63Å; Y153-W173 HydrophobicContact CD2-CH2 4.16Å; Y153-W173 HydrophobicContact CD2-CZ3 4.5Å; E156-W173 WeakPolarHBondContact OE2-CZ3 3.24Å; Y169-W173 WeakPolarHBondContact O-CB 3.31Å; Y169-W173 PolarHBondContact O-N 2.83Å; M170-W173 HydrophobicContact CE-CE3 4.13Å; M170-W173 PolarHBondContact O-N 2.93Å; M170-W173 HydrophobicContact SD-CE3 4.19Å; L171-W173 VanDerWaalsContact C-N 3.29Å; L171-W173 PolarHBondContact O-N 3.5Å; W173-L176 PolarHBondContact O-N 3.01Å; W173-A177 VanDerWaalsContact O-CB 3.32Å; W173-A177 WeakPolarHBondContact O-CB 3.44Å; W173-A177 PolarHBondContact O-N 3.43Å
174W97.8Very high96.7Very high22 Ų2258 Ų588%0.08329%0.289CS..Hα-helixtrans-65.9-41.5178.8-92.2-113000111.7Y128 M170 L171 A177 H178 A225 N250 I267 I268 H269Y128-W174 AromaticContact CE2-NE1 3.78Å; Y128-W174 AromaticContact CZ-CD1 3.96Å; Y128-W174 AromaticContact CZ-NE1 3.91Å; Y128-W174 PolarHBondContact OH-NE1 3.33Å; M170-W174 HydrophobicContact CB-CE3 4.48Å; M170-W174 HydrophobicContact CB-CZ3 4.32Å; M170-W174 PolarHBondContact O-N 3.47Å; M170-W174 VanDerWaalsContact O-N 3.08Å; M170-W174 HydrophobicContact SD-CZ3 4.02Å; L171-W174 PolarHBondContact O-N 3.14Å; W174-A177 PolarHBondContact O-N 3.33Å; W174-H178 AromaticContact CD1-NE2 3.97Å; W174-H178 WeakPolarHBondContact O-CB 3.38Å; W174-H178 PolarHBondContact O-CD2 3.45Å; W174-H178 PolarHBondContact O-N 3.24Å; W174-A225 HydrophobicContact CZ2-CB 3.81Å; W174-A225 PolarHBondContact NE1-O 3.31Å; W174-N250 PolarHBondContact NE1-ND2 3.49Å; W174-I267 HydrophobicContact CB-CD1 4.41Å; W174-I267 HydrophobicContact CB-CG2 3.52Å; W174-I267 HydrophobicContact CG-CG2 3.82Å; W174-I268 PolarHBondContact NE1-O 3.07Å; W174-H269 HydrophobicContact CD2-CB 4.21Å; W174-H269 HydrophobicContact CE3-CB 4.27Å; W174-H269 HydrophobicContact CH2-CB 4.42Å; W174-H269 HydrophobicContact CZ2-CB 4.39Å; W174-H269 HydrophobicContact CZ3-CB 4.34Å
175E97.8Very high96.7Very high103 Ų10352.2 Ų52.248%0.48126%0.263SS..Hα-helixtrans-57.6-50.6175.9-74.6175.8173.500111.4L171 E172 A177 H178 E179 I267L171-E175 WeakPolarHBondContact O-CB 3.29Å; L171-E175 VanDerWaalsContact O-CG 3.31Å; L171-E175 WeakPolarHBondContact O-CG 3.34Å; L171-E175 PolarHBondContact O-N 2.7Å; E172-E175 PolarHBondContact O-N 3.38Å; E175-A177 PolarHBondContact O-N 2.86Å; E175-H178 WeakPolarHBondContact O-CB 3.41Å; E175-H178 PolarHBondContact O-N 2.77Å; E175-E179 WeakPolarHBondContact O-CG 3.41Å; E175-E179 PolarHBondContact O-N 2.98Å; E175-I267 HydrophobicContact CB-CD1 4.47Å; E175-I267 HydrophobicContact CG-CD1 3.43Å; E175-I267 VanDerWaalsContact CG-CD1 3.43Å
176L98.1Very high96.5Very high53 Ų5348 Ų4828%0.27724%0.243SC..Hα-helixtrans-65.4-39.1179-69172.2000112.2L148 Y152 E172 W173 H178 E179 V180L148-L176 HydrophobicContact CD1-CB 3.83Å; L148-L176 HydrophobicContact CD2-CB 3.78Å; L148-L176 HydrophobicContact CD2-CD1 3.7Å; L148-L176 HydrophobicContact CD2-CG 4.39Å; L148-L176 HydrophobicContact CG-CB 4.49Å; Y152-L176 HydrophobicContact CE2-CD1 4.26Å; E172-L176 HydrophobicContact CG-CD1 3.91Å; E172-L176 HydrophobicContact CG-CG 4.4Å; E172-L176 WeakPolarHBondContact O-CB 3.33Å; E172-L176 VanDerWaalsContact O-CG 3.24Å; E172-L176 WeakPolarHBondContact O-CG 3.38Å; E172-L176 PolarHBondContact O-N 3.12Å; W173-L176 PolarHBondContact O-N 3.01Å; L176-H178 VanDerWaalsContact C-N 3.33Å; L176-E179 PolarHBondContact O-N 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.34Å; L176-V180 PolarHBondContact O-N 2.75Å; L176-V180 VanDerWaalsContact O-N 3.15Å
177A97.4Very high96.4Very high6 Ų650 Ų505%0.0525%0.253CS..Hα-helixtrans-64.5-40.7176.300000111.3L145 L148 W173 W174 E175 V180 I181L145-A177 HydrophobicContact CD2-CB 4.17Å; L148-A177 HydrophobicContact CD1-CB 4.34Å; W173-A177 VanDerWaalsContact O-CB 3.32Å; W173-A177 WeakPolarHBondContact O-CB 3.44Å; W173-A177 PolarHBondContact O-N 3.43Å; W174-A177 PolarHBondContact O-N 3.33Å; E175-A177 PolarHBondContact O-N 2.86Å; A177-V180 PolarHBondContact O-N 2.88Å; A177-I181 WeakPolarHBondContact O-CD1 3.21Å; A177-I181 VanDerWaalsContact O-CG1 3.25Å; A177-I181 WeakPolarHBondContact O-CG1 3.48Å; A177-I181 PolarHBondContact O-N 3.11Å; A177-I181 VanDerWaalsContact O-N 3.09Å
178H97.7Very high96.4Very high11 Ų1153.9 Ų53.95%0.05127%0.266CS..Hα-helixtrans-61.9-46.4175.8-73.2-176.2000111.7Y128 W174 E175 L176 V180 I181 I182 F263Y128-H178 AromaticContact CE1-CD2 3.89Å; Y128-H178 AromaticContact CE1-NE2 3.96Å; Y128-H178 AromaticContact CZ-NE2 3.78Å; Y128-H178 PolarHBondContact OH-NE2 3.09Å; W174-H178 AromaticContact CD1-NE2 3.97Å; W174-H178 WeakPolarHBondContact O-CB 3.38Å; W174-H178 PolarHBondContact O-CD2 3.45Å; W174-H178 PolarHBondContact O-N 3.24Å; E175-H178 WeakPolarHBondContact O-CB 3.41Å; E175-H178 PolarHBondContact O-N 2.77Å; L176-H178 VanDerWaalsContact C-N 3.33Å; H178-V180 PolarHBondContact O-N 2.89Å; H178-I181 PolarHBondContact O-N 3.34Å; H178-I182 WeakPolarHBondContact O-CD1 3.29Å; H178-I182 VanDerWaalsContact O-CG1 3.25Å; H178-I182 WeakPolarHBondContact O-CG1 3.39Å; H178-I182 PolarHBondContact O-N 2.92Å; H178-F263 HydrophobicContact CB-CD2 3.43Å; H178-F263 VanDerWaalsContact CB-CD2 3.43Å; H178-F263 HydrophobicContact CB-CE2 3.46Å; H178-F263 VanDerWaalsContact CB-CE2 3.46Å; H178-F263 HydrophobicContact CB-CG 4.34Å; H178-F263 HydrophobicContact CB-CZ 4.4Å; H178-F263 AromaticContact CD2-CD2 3.87Å; H178-F263 AromaticContact CD2-CE2 3.82Å; H178-F263 AromaticContact CD2-CZ 3.98Å; H178-F263 AromaticContact CE1-CG 3.74Å; H178-F263 AromaticContact CG-CD2 3.29Å; H178-F263 AromaticContact CG-CE2 3.53Å; H178-F263 AromaticContact CG-CG 3.72Å; H178-F263 AromaticContact ND1-CD2 3.46Å; H178-F263 WeakPolarHBondContact ND1-CD2 3.3Å; H178-F263 AromaticContact ND1-CG 3.49Å; H178-F263 WeakPolarHBondContact ND1-CG 3.49Å
179E97.5Very high96Very high111 Ų11156.8 Ų56.852%0.51927%0.273SS..Hα-helixtrans-56-49176.7-74.2179.2173.700111.6E175 L176 I181 I182 E183E175-E179 WeakPolarHBondContact O-CG 3.41Å; E175-E179 PolarHBondContact O-N 2.98Å; L176-E179 PolarHBondContact O-N 3.25Å; E179-I181 VanDerWaalsContact C-N 3.34Å; E179-I181 PolarHBondContact O-N 2.76Å; E179-I182 PolarHBondContact O-N 3.17Å; E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 2.97Å
180V97Very high95.6Very high17 Ų1753.2 Ų53.210%0.10326%0.262CS..Hα-helixtrans-59.6-44.3178.3175.40000111.5A141 T144 L145 L148 L176 A177 H178 I182 E183 C184A141-V180 HydrophobicContact CB-CG1 3.99Å; T144-V180 HydrophobicContact CG2-CG2 3.57Å; L145-V180 HydrophobicContact CD2-CB 4.17Å; L145-V180 HydrophobicContact CD2-CG1 4.07Å; L145-V180 HydrophobicContact CG-CG1 3.94Å; L148-V180 HydrophobicContact CD1-CG2 4.47Å; L176-V180 WeakPolarHBondContact O-CG2 3.34Å; L176-V180 PolarHBondContact O-N 2.75Å; L176-V180 VanDerWaalsContact O-N 3.15Å; A177-V180 PolarHBondContact O-N 2.88Å; H178-V180 PolarHBondContact O-N 2.89Å; V180-I182 PolarHBondContact O-N 3.45Å; V180-E183 PolarHBondContact O-N 2.93Å; V180-C184 PolarHBondContact O-N 2.82Å; V180-C184 VanDerWaalsContact O-N 3.15Å; V180-C184 PolarHBondContact O-SG 3.37Å
181I96Very high95.5Very high1 Ų153.3 Ų53.31%0.00526%0.263CS..Hα-helixtrans-67.8-36.1-179.4-63.5165.6000111.1Y128 F131 L145 A177 H178 E179 C184 I186 L227 L260 F263Y128-I181 HydrophobicContact CD1-CD1 3.77Å; Y128-I181 HydrophobicContact CE1-CD1 4.01Å; F131-I181 HydrophobicContact CD2-CD1 3.83Å; F131-I181 HydrophobicContact CD2-CG1 4.07Å; F131-I181 HydrophobicContact CD2-CG2 4.3Å; F131-I181 HydrophobicContact CE2-CD1 4.07Å; F131-I181 HydrophobicContact CE2-CG1 4.38Å; F131-I181 HydrophobicContact CE2-CG2 3.85Å; F131-I181 HydrophobicContact CZ-CG2 4.13Å; L145-I181 HydrophobicContact CD1-CG1 4.48Å; L145-I181 HydrophobicContact CD2-CG1 4.3Å; A177-I181 WeakPolarHBondContact O-CD1 3.21Å; A177-I181 VanDerWaalsContact O-CG1 3.25Å; A177-I181 WeakPolarHBondContact O-CG1 3.48Å; A177-I181 PolarHBondContact O-N 3.11Å; A177-I181 VanDerWaalsContact O-N 3.09Å; H178-I181 PolarHBondContact O-N 3.34Å; E179-I181 VanDerWaalsContact C-N 3.34Å; E179-I181 PolarHBondContact O-N 2.76Å; I181-C184 WeakPolarHBondContact O-CB 3.46Å; I181-C184 PolarHBondContact O-N 2.84Å; I181-I186 HydrophobicContact CG2-CG1 4.12Å; I181-L227 HydrophobicContact CD1-CD1 4.26Å; I181-L260 HydrophobicContact CG2-CD2 3.62Å; I181-F263 HydrophobicContact CB-CZ 4.34Å; I181-F263 HydrophobicContact CG2-CZ 4.16Å
182I96.4Very high95.2Very high47 Ų4755.4 Ų55.424%0.24127%0.271CS..Hα-helixtrans-64.7-43.8174.1-68.5158.9000110.7H178 E179 V180 C184 G185 L260 F263H178-I182 WeakPolarHBondContact O-CD1 3.29Å; H178-I182 VanDerWaalsContact O-CG1 3.25Å; H178-I182 WeakPolarHBondContact O-CG1 3.39Å; H178-I182 PolarHBondContact O-N 2.92Å; E179-I182 PolarHBondContact O-N 3.17Å; V180-I182 PolarHBondContact O-N 3.45Å; I182-C184 VanDerWaalsContact C-N 3.25Å; I182-C184 PolarHBondContact O-N 3.17Å; I182-G185 PolarHBondContact O-N 3.45Å; I182-L260 HydrophobicContact CG1-CD2 4.2Å; I182-L260 HydrophobicContact CG1-CG 4.07Å; I182-F263 HydrophobicContact CD1-CD2 4.06Å; I182-F263 HydrophobicContact CD1-CE2 4.01Å; I182-F263 HydrophobicContact CG1-CD2 4.37Å; I182-F263 HydrophobicContact CG1-CE2 3.89Å
183E95.7Very high94.9Very high164 Ų16455.9 Ų55.977%0.76627%0.272SS*.Hα-helixtrans-62.9-30.2179.4-74.6-176171.400112.9E179 V180 G185E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 2.97Å; V180-E183 PolarHBondContact O-N 2.93Å; E183-G185 PolarHBondContact O-N 2.83Å; E183-G185 VanDerWaalsContact O-N 3.14Å
184C93.4Very high94.7Very high43 Ų4354.7 Ų54.729%0.29127%0.268SS..THydrogen-bonded Turntrans-61.1-18.2171.9-68.30000113.4L137 A141 V180 I181 I182 I186L137-C184 HydrophobicContact CG-CB 4.29Å; A141-C184 WeakPolarHBondContact CB-SG 3.5Å; V180-C184 PolarHBondContact O-N 2.82Å; V180-C184 VanDerWaalsContact O-N 3.15Å; V180-C184 PolarHBondContact O-SG 3.37Å; I181-C184 WeakPolarHBondContact O-CB 3.46Å; I181-C184 PolarHBondContact O-N 2.84Å; I182-C184 VanDerWaalsContact C-N 3.25Å; I182-C184 PolarHBondContact O-N 3.17Å; C184-I186 VanDerWaalsContact C-N 3.34Å; C184-I186 HydrophobicContact CB-CD1 4.06Å; C184-I186 HydrophobicContact CB-CG1 4.25Å; C184-I186 PolarHBondContact O-N 3.02Å
185G92.3Very high94.6Very high19 Ų1954 Ų5420%0.19627%0.266CS..THydrogen-bonded Turntrans68.831.5176.500000114.1I182 E183 Q187I182-G185 PolarHBondContact O-N 3.45Å; E183-G185 PolarHBondContact O-N 2.83Å; E183-G185 VanDerWaalsContact O-N 3.14Å; G185-Q187 PolarHBondContact O-N 2.96Å; G185-Q187 PolarHBondContact O-NE2 2.66Å
186I93.2Very high94.3Very high10 Ų1056.6 Ų56.65%0.05128%0.276CS..  trans-46133178.1-57.8-58000110.7F131 L137 I181 C184 L191 L260F131-I186 HydrophobicContact CD1-CD1 4.35Å; F131-I186 HydrophobicContact CE1-CD1 3.79Å; F131-I186 HydrophobicContact CE1-CG1 4.19Å; F131-I186 HydrophobicContact CZ-CD1 4.48Å; F131-I186 HydrophobicContact CZ-CG1 4.4Å; L137-I186 HydrophobicContact CD1-CD1 3.77Å; I181-I186 HydrophobicContact CG2-CG1 4.12Å; C184-I186 VanDerWaalsContact C-N 3.34Å; C184-I186 HydrophobicContact CB-CD1 4.06Å; C184-I186 HydrophobicContact CB-CG1 4.25Å; C184-I186 PolarHBondContact O-N 3.02Å; I186-L191 HydrophobicContact CG2-CB 4.39Å; I186-L191 HydrophobicContact CG2-CD1 4.44Å; I186-L260 HydrophobicContact CB-CB 4.15Å; I186-L260 HydrophobicContact CB-CD2 4.21Å; I186-L260 HydrophobicContact CG1-CD2 4.38Å; I186-L260 WeakPolarHBondContact O-CB 3.07Å; I186-L260 PolarHBondContact O-N 2.88Å
187Q94.2Very high94Very high52 Ų5258.9 Ų58.924%0.24329%0.285CS..BIsolated β-bridgetrans-101.1139.7173.8-59.2-61.7-44.600109.8G185 H189 T190 L191 G258G185-Q187 PolarHBondContact O-N 2.96Å; G185-Q187 PolarHBondContact O-NE2 2.66Å; Q187-H189 VanDerWaalsContact CB-CE1 3.48Å; Q187-H189 WeakPolarHBondContact CB-CE1 3.5Å; Q187-H189 PolarHBondContact O-N 2.73Å; Q187-H189 VanDerWaalsContact O-N 3.17Å; Q187-T190 HydrophobicContact CB-CG2 4.17Å; Q187-T190 PolarHBondContact N-OG1 3.49Å; Q187-T190 PolarHBondContact O-N 3.08Å; Q187-T190 PolarHBondContact O-OG1 3.39Å; Q187-L191 PolarHBondContact O-N 3.37Å; Q187-G258 CarbonylContact C-O 3.55Å; Q187-G258 WeakPolarHBondContact CA-O 3.41Å; Q187-G258 PolarHBondContact OE1-O 3.49Å
188K93.7Very high93.7Very high117 Ų11758.9 Ų58.951%0.50929%0.285SS..Hα-helixtrans-54-39.7178.7-172.5173.3-177.9173.70112.4L191 F254 G258K188-L191 PolarHBondContact O-N 3.45Å; K188-F254 HydrophobicContact CB-CD1 3.8Å; K188-F254 HydrophobicContact CB-CD2 4.33Å; K188-F254 HydrophobicContact CB-CE1 3.88Å; K188-F254 HydrophobicContact CB-CE2 4.38Å; K188-F254 HydrophobicContact CB-CG 4.03Å; K188-F254 HydrophobicContact CB-CZ 4.17Å; K188-F254 HydrophobicContact CD-CD2 4.11Å; K188-F254 HydrophobicContact CD-CE2 4.46Å; K188-F254 HydrophobicContact CD-CG 4.35Å; K188-F254 HydrophobicContact CG-CD2 4.27Å; K188-F254 HydrophobicContact CG-CE2 4.21Å; K188-F254 HydrophobicContact CG-CG 4.45Å; K188-F254 HydrophobicContact CG-CZ 4.36Å; K188-G258 PolarHBondContact N-O 3.48Å
189H90.2Very high93.4Very high139 Ų13966 Ų6664%0.64432%0.318SS*.Hα-helixtrans-75-20.9-179.573.5-89.2000113.9Q187Q187-H189 VanDerWaalsContact CB-CE1 3.48Å; Q187-H189 WeakPolarHBondContact CB-CE1 3.5Å; Q187-H189 PolarHBondContact O-N 2.73Å; Q187-H189 VanDerWaalsContact O-N 3.17Å
190T90.1Very high93.2Very high31 Ų3162 Ų6219%0.1930%0.3CS..Hα-helixtrans-88.3-26.5174.461.20000111.5Q187 E192 K193 T194Q187-T190 HydrophobicContact CB-CG2 4.17Å; Q187-T190 PolarHBondContact N-OG1 3.49Å; Q187-T190 PolarHBondContact O-N 3.08Å; Q187-T190 PolarHBondContact O-OG1 3.39Å; T190-E192 VanDerWaalsContact C-N 3.29Å; T190-E192 PolarHBondContact O-N 2.7Å; T190-K193 WeakPolarHBondContact O-CA 3.4Å; T190-K193 WeakPolarHBondContact O-CB 3.43Å; T190-K193 PolarHBondContact O-N 2.96Å; T190-T194 PolarHBondContact O-N 3.35Å; T190-T194 PolarHBondContact O-OG1 3.11Å
191L94Very high93.1Very high2 Ų263.6 Ų63.61%0.0131%0.309CS..Hα-helixtrans-55.6-41.6178-175.965.2000112.6F131 I186 Q187 K188 K193 T194 V195 D229 V230 L233 M252 F254F131-L191 HydrophobicContact CE1-CD1 4.35Å; F131-L191 HydrophobicContact CZ-CD1 3.9Å; I186-L191 HydrophobicContact CG2-CB 4.39Å; I186-L191 HydrophobicContact CG2-CD1 4.44Å; Q187-L191 PolarHBondContact O-N 3.37Å; K188-L191 PolarHBondContact O-N 3.45Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.92Å; L191-T194 PolarHBondContact O-N 3.44Å; L191-V195 HydrophobicContact CD1-CG2 4.27Å; L191-V195 HydrophobicContact CG-CG2 4.32Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 3.3Å; L191-D229 HydrophobicContact CD2-CB 3.76Å; L191-V230 HydrophobicContact CD1-CG2 4.21Å; L191-L233 HydrophobicContact CB-CD1 4.47Å; L191-L233 HydrophobicContact CD2-CD1 3.9Å; L191-L233 HydrophobicContact CG-CD1 3.8Å; L191-M252 HydrophobicContact CD1-CE 4.31Å; L191-M252 HydrophobicContact CD1-SD 4.49Å; L191-M252 HydrophobicContact CD2-CE 4.37Å; L191-M252 HydrophobicContact CD2-SD 3.72Å; L191-F254 HydrophobicContact CD2-CZ 4.12Å
192E90.9Very high93.2Very high104 Ų10464.8 Ų64.849%0.48632%0.316SS..Hα-helixtrans-57.1-41.5176.8-60.6-172.2175.900112.1T190 K196 L233 H237T190-E192 VanDerWaalsContact C-N 3.29Å; T190-E192 PolarHBondContact O-N 2.7Å; E192-K196 WeakPolarHBondContact O-CB 3.38Å; E192-K196 PolarHBondContact O-N 3.2Å; E192-K196 VanDerWaalsContact O-N 3.08Å; E192-L233 HydrophobicContact CG-CD1 4.14Å; E192-L233 HydrophobicContact CG-CD2 3.76Å; E192-H237 PolarHBondContact O-CE1 2.91Å
193K92.2Very high93.2Very high89 Ų8962.9 Ų62.939%0.38731%0.305SS..Hα-helixtrans-66.4-49.4176-179.2-166.9166-161.20110.6E136 T190 L191 V195 K196 E197E136-K193 IonicContact OE1-NZ 3.05Å; E136-K193 PolarHBondContact OE1-NZ 3.39Å; T190-K193 WeakPolarHBondContact O-CA 3.4Å; T190-K193 WeakPolarHBondContact O-CB 3.43Å; T190-K193 PolarHBondContact O-N 2.96Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.92Å; K193-V195 VanDerWaalsContact C-N 3.31Å; K193-V195 PolarHBondContact O-N 3.17Å; K193-K196 PolarHBondContact O-N 2.93Å; K193-K196 VanDerWaalsContact O-N 3.17Å; K193-E197 VanDerWaalsContact CE-CD 3.48Å; K193-E197 WeakPolarHBondContact CE-OE1 3.44Å; K193-E197 VanDerWaalsContact CE-OE2 3.26Å; K193-E197 WeakPolarHBondContact CE-OE2 3Å; K193-E197 HydrophobicContact CG-CG 4.43Å; K193-E197 WeakPolarHBondContact CG-OE1 3.49Å; K193-E197 WeakPolarHBondContact O-CG 3.22Å; K193-E197 PolarHBondContact O-N 3.11Å
194T93.7Very high93.2Very high8 Ų859.2 Ų59.25%0.04929%0.291CS..Hα-helixtrans-54.1-48.3177.5-60.20000111.1I130 F131 D134 T190 L191 K196 E197 S198I130-T194 HydrophobicContact CD1-CG2 3.97Å; I130-T194 HydrophobicContact CG1-CG2 4.26Å; F131-T194 HydrophobicContact CD1-CG2 4.4Å; F131-T194 HydrophobicContact CE1-CG2 4.22Å; D134-T194 HydrophobicContact CB-CG2 4.16Å; D134-T194 WeakPolarHBondContact OD2-CG2 3.17Å; D134-T194 PolarHBondContact OD2-OG1 3.04Å; T190-T194 PolarHBondContact O-N 3.35Å; T190-T194 PolarHBondContact O-OG1 3.11Å; L191-T194 PolarHBondContact O-N 3.44Å; T194-K196 PolarHBondContact O-N 2.9Å; T194-E197 PolarHBondContact O-N 3.28Å; T194-S198 WeakPolarHBondContact O-CB 3.37Å; T194-S198 PolarHBondContact O-N 2.92Å
195V94.7Very high93.4Very high7 Ų760.2 Ų60.24%0.04229%0.291CS..Hα-helixtrans-61.8-45.1179.4175.10000111.1I130 L191 K193 E197 S198 V230 L233 S234I130-V195 HydrophobicContact CD1-CG2 3.93Å; L191-V195 HydrophobicContact CD1-CG2 4.27Å; L191-V195 HydrophobicContact CG-CG2 4.32Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 3.3Å; K193-V195 VanDerWaalsContact C-N 3.31Å; K193-V195 PolarHBondContact O-N 3.17Å; V195-E197 VanDerWaalsContact C-N 3.27Å; V195-E197 PolarHBondContact O-N 3.06Å; V195-S198 PolarHBondContact O-N 2.65Å; V195-S198 PolarHBondContact O-OG 2.84Å; V195-V230 HydrophobicContact CG2-CB 4.28Å; V195-V230 HydrophobicContact CG2-CG1 4.09Å; V195-V230 HydrophobicContact CG2-CG2 4.13Å; V195-L233 HydrophobicContact CB-CB 4.24Å; V195-L233 HydrophobicContact CG1-CB 3.95Å; V195-L233 HydrophobicContact CG2-CB 4.14Å; V195-L233 HydrophobicContact CG2-CD1 3.99Å; V195-S234 VanDerWaalsContact CG1-OG 3.26Å; V195-S234 WeakPolarHBondContact CG1-OG 3.47Å
196K91.5Very high93.7Very high158 Ų15859.3 Ų59.369%0.68728%0.281SS*.Hα-helixtrans-63.1-32.6179.4-174.4177.5178.4179.50113.2E192 K193 T194E192-K196 WeakPolarHBondContact O-CB 3.38Å; E192-K196 PolarHBondContact O-N 3.2Å; E192-K196 VanDerWaalsContact O-N 3.08Å; K193-K196 PolarHBondContact O-N 2.93Å; K193-K196 VanDerWaalsContact O-N 3.17Å; T194-K196 PolarHBondContact O-N 2.9Å
197E92.2Very high93.9Very high101 Ų10161.7 Ų61.747%0.47230%0.299SS..Hα-helixtrans-90.9-10.5-178.8-67.4176.8-178.600113.2K193 T194 V195 H199K193-E197 VanDerWaalsContact CE-CD 3.48Å; K193-E197 WeakPolarHBondContact CE-OE1 3.44Å; K193-E197 VanDerWaalsContact CE-OE2 3.26Å; K193-E197 WeakPolarHBondContact CE-OE2 3Å; K193-E197 HydrophobicContact CG-CG 4.43Å; K193-E197 WeakPolarHBondContact CG-OE1 3.49Å; K193-E197 WeakPolarHBondContact O-CG 3.22Å; K193-E197 PolarHBondContact O-N 3.11Å; T194-E197 PolarHBondContact O-N 3.28Å; V195-E197 VanDerWaalsContact C-N 3.27Å; V195-E197 PolarHBondContact O-N 3.06Å; E197-H199 VanDerWaalsContact C-N 3.27Å; E197-H199 PolarHBondContact O-N 2.96Å; E197-H199 VanDerWaalsContact O-N 3.13Å
198S90.8Very high94.1Very high6 Ų662.6 Ų62.64%0.04230%0.303CS..SBendtrans-69.8-6.3-170.9680000117P125 I130 T194 V195 L200P125-S198 WeakPolarHBondContact CG-O 3.37Å; I130-S198 VanDerWaalsContact CG2-CB 3.46Å; T194-S198 WeakPolarHBondContact O-CB 3.37Å; T194-S198 PolarHBondContact O-N 2.92Å; V195-S198 PolarHBondContact O-N 2.65Å; V195-S198 PolarHBondContact O-OG 2.84Å; S198-L200 PolarHBondContact O-N 3.47Å; S198-L200 VanDerWaalsContact O-N 3.12Å; S198-L200 WeakPolarHBondContact OG-CB 3.47Å; S198-L200 PolarHBondContact OG-N 3.32Å
199H90.9Very high94.3Very high160 Ų16057 Ų5774%0.74128%0.279SS*.  trans609.8-169.2-53.9-75.2000115.5E197 V201E197-H199 VanDerWaalsContact C-N 3.27Å; E197-H199 PolarHBondContact O-N 2.96Å; E197-H199 VanDerWaalsContact O-N 3.13Å; H199-V201 PolarHBondContact O-N 3Å
200L93.7Very high94.7Very high28 Ų2850.4 Ų50.415%0.14725%0.248CC..  trans-60.7122.8170.9-17266.3000109.6F110 V124 P125 S198 V230 S234F110-L200 HydrophobicContact CE1-CD1 4.37Å; F110-L200 HydrophobicContact CE1-CD2 3.72Å; F110-L200 HydrophobicContact CE1-CG 4.4Å; F110-L200 HydrophobicContact CZ-CD2 3.92Å; V124-L200 HydrophobicContact CG1-CD1 4.1Å; P125-L200 WeakPolarHBondContact O-CD1 3.25Å; S198-L200 PolarHBondContact O-N 3.47Å; S198-L200 VanDerWaalsContact O-N 3.12Å; S198-L200 WeakPolarHBondContact OG-CB 3.47Å; S198-L200 PolarHBondContact OG-N 3.32Å; L200-V230 HydrophobicContact CD2-CG1 4.19Å; L200-S234 WeakPolarHBondContact CD2-OG 3.5Å
201V95.4Very high95.1Very high49 Ų4953 Ų5330%0.29726%0.258SS..  trans-134.3137.8-172.861.50000111.1S115 K116 Q119 V124 H199S115-V201 CarbonylContact C-O 3.59Å; S115-V201 VanDerWaalsContact CA-O 3.31Å; S115-V201 WeakPolarHBondContact CA-O 3.28Å; K116-V201 HydrophobicContact CB-CG1 4.16Å; K116-V201 HydrophobicContact CD-CG1 4.05Å; K116-V201 HydrophobicContact CG-CG1 4.25Å; K116-V201 PolarHBondContact N-O 3.3Å; Q119-V201 HydrophobicContact CB-CG1 4.19Å; Q119-V201 HydrophobicContact CG-CG1 4.38Å; V124-V201 HydrophobicContact CG1-CG1 3.99Å; V124-V201 HydrophobicContact CG2-CG1 3.67Å; H199-V201 PolarHBondContact O-N 3Å
202L97.7Very high95.2Very high27 Ų2754.2 Ų54.214%0.14126%0.264CS..BIsolated β-bridgetrans-78.9152.3177.1-58.6-179.9000111.2F110 L114 K116 V206 L235 A238 V240F110-L202 HydrophobicContact CE2-CD2 3.77Å; F110-L202 HydrophobicContact CZ-CD2 4.01Å; L114-L202 HydrophobicContact CB-CD2 4.34Å; L114-L202 CarbonylContact O-C 3.59Å; L114-L202 WeakPolarHBondContact O-CA 3.48Å; K116-L202 WeakPolarHBondContact CE-O 3.48Å; L202-V206 HydrophobicContact CB-CB 4.33Å; L202-V206 HydrophobicContact CB-CG1 4.41Å; L202-V206 HydrophobicContact CD1-CG1 4.03Å; L202-L235 HydrophobicContact CD1-CD2 4.29Å; L202-A238 HydrophobicContact CD1-CB 3.66Å; L202-A238 HydrophobicContact CG-CB 4.48Å; L202-V240 HydrophobicContact CD1-CG2 3.65Å
203R97.2Very high95.6Very high6 Ų649.2 Ų49.22%0.02324%0.241CC..PPolyproline II helixtrans-62.9147.8172.5-71.1179.2-171.4-85.7-5.8110.9R112 T113 L114 S115 K116 K205 V206 N324 D345 S346 F348R112-R203 PolarHBondContact O-NH2 2.6Å; T113-R203 WeakPolarHBondContact O-CD 3.44Å; T113-R203 PolarHBondContact O-NE 3.06Å; L114-R203 PolarHBondContact O-N 3.4Å; S115-R203 PolarHBondContact O-NE 2.93Å; K116-R203 HydrophobicContact CG-CB 4.41Å; K116-R203 HydrophobicContact CG-CG 3.86Å; R203-K205 PolarHBondContact O-N 2.91Å; R203-V206 HydrophobicContact CB-CG2 3.94Å; R203-V206 WeakPolarHBondContact O-CB 3.43Å; R203-V206 VanDerWaalsContact O-CG2 3.25Å; R203-V206 WeakPolarHBondContact O-CG2 3.28Å; R203-V206 PolarHBondContact O-N 2.98Å; R203-N324 PolarHBondContact NH2-ND2 2.72Å; R203-N324 PolarHBondContact NH2-OD1 2.96Å; R203-D345 IonicContact CZ-OD1 2.95Å; R203-D345 PolarHBondContact NH1-O 3.26Å; R203-D345 IonicContact NH1-OD1 3.57Å; R203-D345 PolarHBondContact NH1-OD1 2.93Å; R203-D345 IonicContact NH2-OD1 2.87Å; R203-D345 PolarHBondContact NH2-OD1 2.77Å; R203-S346 WeakPolarHBondContact CD-O 3.28Å; R203-S346 PolarHBondContact NH1-O 3.18Å; R203-F348 HydrophobicContact CB-CD2 3.86Å; R203-F348 HydrophobicContact CB-CE2 4.5Å; R203-F348 HydrophobicContact CG-CD2 4.35Å
204D95.9Very high95.8Very high88 Ų8846.3 Ų46.347%0.47123%0.232SC..THydrogen-bonded Turntrans-57.4141.7172.7-52.1-11.2000109.1K116 V206 T347 F348K116-D204 WeakPolarHBondContact CE-OD1 3.31Å; K116-D204 IonicContact NZ-OD1 2.68Å; K116-D204 PolarHBondContact NZ-OD1 3.47Å; K116-D204 IonicContact NZ-OD2 3.17Å; D204-V206 VanDerWaalsContact C-N 3.35Å; D204-T347 HydrophobicContact CB-CG2 3.89Å; D204-F348 WeakPolarHBondContact O-CB 3.48Å; D204-F348 PolarHBondContact O-N 3.04Å
205K96.8Very high96Very high63 Ų6350.4 Ų50.427%0.27425%0.253SS..THydrogen-bonded Turntrans78.2-5.2-174.5-56.5-74.8165.8-157.20117.3R203 S207 E208 F209 F348 E349 Y352R203-K205 PolarHBondContact O-N 2.91Å; K205-S207 VanDerWaalsContact C-N 3.32Å; K205-S207 PolarHBondContact O-N 3.01Å; K205-E208 VanDerWaalsContact CA-OE2 3.3Å; K205-E208 WeakPolarHBondContact CA-OE2 3.46Å; K205-E208 WeakPolarHBondContact CD-OE1 3.48Å; K205-E208 IonicContact NZ-OE1 3.94Å; K205-E208 PolarHBondContact NZ-OE1 3.26Å; K205-E208 PolarHBondContact O-N 3.42Å; K205-F209 WeakPolarHBondContact O-CB 3.46Å; K205-F209 PolarHBondContact O-N 3.39Å; K205-F348 HydrophobicContact CB-CB 3.84Å; K205-E349 WeakPolarHBondContact CD-OE2 2.97Å; K205-E349 WeakPolarHBondContact CE-OE2 3.03Å; K205-E349 HydrophobicContact CG-CB 4.47Å; K205-E349 WeakPolarHBondContact CG-OE2 3.46Å; K205-Y352 HydrophobicContact CD-CD1 4.18Å
206V98.3Very high96Very high1 Ų152.2 Ų52.21%0.00626%0.26CS..Hα-helixtrans-62.1-40.4175.11700000111.7L114 L202 R203 D204 F209 F210 F348L114-V206 HydrophobicContact CD2-CG1 3.97Å; L114-V206 HydrophobicContact CD2-CG2 4.12Å; L202-V206 HydrophobicContact CB-CB 4.33Å; L202-V206 HydrophobicContact CB-CG1 4.41Å; L202-V206 HydrophobicContact CD1-CG1 4.03Å; R203-V206 HydrophobicContact CB-CG2 3.94Å; R203-V206 WeakPolarHBondContact O-CB 3.43Å; R203-V206 VanDerWaalsContact O-CG2 3.25Å; R203-V206 WeakPolarHBondContact O-CG2 3.28Å; R203-V206 PolarHBondContact O-N 2.98Å; D204-V206 VanDerWaalsContact C-N 3.35Å; V206-F209 PolarHBondContact O-N 3.4Å; V206-F210 HydrophobicContact CG1-CD2 3.84Å; V206-F210 HydrophobicContact CG1-CE2 3.67Å; V206-F210 HydrophobicContact CG1-CZ 4.32Å; V206-F210 PolarHBondContact O-N 2.87Å; V206-F348 HydrophobicContact CG2-CB 4.06Å; V206-F348 HydrophobicContact CG2-CD1 3.85Å; V206-F348 HydrophobicContact CG2-CD2 3.79Å; V206-F348 HydrophobicContact CG2-CE1 4.21Å; V206-F348 HydrophobicContact CG2-CE2 4.19Å; V206-F348 HydrophobicContact CG2-CG 3.61Å; V206-F348 HydrophobicContact CG2-CZ 4.38Å
207S98.1Very high96.2Very high59 Ų5951.4 Ų51.441%0.41326%0.258SS..Hα-helixtrans-62.9-49.9178.2178.90000111.8K205 F209 F210 Q211K205-S207 VanDerWaalsContact C-N 3.32Å; K205-S207 PolarHBondContact O-N 3.01Å; S207-F209 VanDerWaalsContact C-N 3.3Å; S207-F209 PolarHBondContact O-N 3.2Å; S207-F210 PolarHBondContact O-N 2.78Å; S207-Q211 WeakPolarHBondContact O-CB 3.32Å; S207-Q211 PolarHBondContact O-N 3.29Å
208E97.9Very high96.4Very high71 Ų7146.6 Ų46.633%0.33224%0.236SC..Hα-helixtrans-64.5-36.4177.7-61.399.112400112.3K205 L212 Y352K205-E208 VanDerWaalsContact CA-OE2 3.3Å; K205-E208 WeakPolarHBondContact CA-OE2 3.46Å; K205-E208 WeakPolarHBondContact CD-OE1 3.48Å; K205-E208 IonicContact NZ-OE1 3.94Å; K205-E208 PolarHBondContact NZ-OE1 3.26Å; K205-E208 PolarHBondContact O-N 3.42Å; E208-L212 VanDerWaalsContact O-CB 3.29Å; E208-L212 WeakPolarHBondContact O-CB 3.47Å; E208-L212 PolarHBondContact O-N 2.92Å; E208-Y352 HydrophobicContact CB-CD2 4.33Å; E208-Y352 HydrophobicContact CB-CE2 3.88Å
209F98.5Very high96.7Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-60.6-50.7174.6177.6-103.2000111.8I106 K205 V206 S207 L212 L213 L290 L292 F348 P351 Y352 I355I106-F209 HydrophobicContact CG2-CE1 4.19Å; I106-F209 HydrophobicContact CG2-CZ 4Å; K205-F209 WeakPolarHBondContact O-CB 3.46Å; K205-F209 PolarHBondContact O-N 3.39Å; V206-F209 PolarHBondContact O-N 3.4Å; S207-F209 VanDerWaalsContact C-N 3.3Å; S207-F209 PolarHBondContact O-N 3.2Å; F209-L212 PolarHBondContact O-N 3.28Å; F209-L213 HydrophobicContact CD1-CD1 3.69Å; F209-L213 HydrophobicContact CD2-CD1 4.35Å; F209-L213 HydrophobicContact CE1-CD1 3.36Å; F209-L213 HydrophobicContact CE2-CD1 4.1Å; F209-L213 HydrophobicContact CG-CD1 4.17Å; F209-L213 HydrophobicContact CZ-CD1 3.6Å; F209-L213 WeakPolarHBondContact O-CD1 3.42Å; F209-L213 VanDerWaalsContact O-CG 3.25Å; F209-L213 WeakPolarHBondContact O-CG 3.4Å; F209-L213 PolarHBondContact O-N 3.29Å; F209-L213 VanDerWaalsContact O-N 3.11Å; F209-L290 HydrophobicContact CE2-CD2 4.3Å; F209-L290 HydrophobicContact CZ-CD2 4.28Å; F209-L292 HydrophobicContact CE1-CD1 4.22Å; F209-L292 HydrophobicContact CZ-CD1 4.01Å; F209-F348 HydrophobicContact CD1-CD1 4.17Å; F209-F348 HydrophobicContact CD1-CE1 4.27Å; F209-F348 HydrophobicContact CE1-CE1 4.29Å; F209-F348 HydrophobicContact CG-CD1 4.25Å; F209-P351 HydrophobicContact CD2-CB 4.2Å; F209-P351 HydrophobicContact CE2-CB 3.85Å; F209-P351 HydrophobicContact CZ-CB 4.44Å; F209-Y352 HydrophobicContact CB-CD2 4.37Å; F209-I355 HydrophobicContact CD2-CG1 4.07Å; F209-I355 HydrophobicContact CE2-CB 4.43Å; F209-I355 HydrophobicContact CE2-CD1 4.42Å; F209-I355 HydrophobicContact CE2-CG1 3.44Å; F209-I355 VanDerWaalsContact CE2-CG1 3.44Å; F209-I355 HydrophobicContact CZ-CG1 4.31Å
210F98.6Very high97Very high1 Ų140.1 Ų40.10%0.00421%0.208CC..Hα-helixtrans-69.9-37.6179.6-72.8-23.7000113.4L114 V206 S207 L212 L213 S214 V220 L235 V240 M245L114-F210 HydrophobicContact CD1-CE2 4.27Å; L114-F210 HydrophobicContact CD1-CZ 3.77Å; L114-F210 HydrophobicContact CD2-CE1 4.26Å; L114-F210 HydrophobicContact CD2-CE2 4.1Å; L114-F210 HydrophobicContact CD2-CZ 3.51Å; L114-F210 HydrophobicContact CG-CZ 4.32Å; V206-F210 HydrophobicContact CG1-CD2 3.84Å; V206-F210 HydrophobicContact CG1-CE2 3.67Å; V206-F210 HydrophobicContact CG1-CZ 4.32Å; V206-F210 PolarHBondContact O-N 2.87Å; S207-F210 PolarHBondContact O-N 2.78Å; F210-L212 VanDerWaalsContact C-N 3.33Å; F210-L212 PolarHBondContact O-N 2.9Å; F210-L213 HydrophobicContact CD1-CD1 4.11Å; F210-L213 PolarHBondContact O-N 3.19Å; F210-S214 WeakPolarHBondContact O-CB 3.43Å; F210-S214 PolarHBondContact O-N 2.73Å; F210-V220 HydrophobicContact CE1-CG1 3.83Å; F210-V220 HydrophobicContact CZ-CG1 4.44Å; F210-L235 HydrophobicContact CE2-CD2 4.02Å; F210-V240 HydrophobicContact CD2-CB 4.01Å; F210-V240 HydrophobicContact CD2-CG2 3.95Å; F210-V240 HydrophobicContact CE2-CG2 4.35Å; F210-M245 HydrophobicContact CB-SD 4.48Å; F210-M245 HydrophobicContact CD1-CE 4.38Å; F210-M245 HydrophobicContact CD2-CE 3.74Å; F210-M245 HydrophobicContact CD2-SD 4.06Å; F210-M245 HydrophobicContact CE1-CE 4.16Å; F210-M245 HydrophobicContact CE2-CE 3.48Å; F210-M245 VanDerWaalsContact CE2-CE 3.48Å; F210-M245 HydrophobicContact CE2-SD 4.4Å; F210-M245 HydrophobicContact CG-CE 4.21Å; F210-M245 HydrophobicContact CG-SD 4.14Å; F210-M245 HydrophobicContact CZ-CE 3.7Å
211Q98.1Very high97.1Very high85 Ų8538.8 Ų38.840%0.39720%0.201SC..Hα-helixtrans-59.1-46.6174.1-176.162.461.800111S207 L213 S214 D215 H242S207-Q211 WeakPolarHBondContact O-CB 3.32Å; S207-Q211 PolarHBondContact O-N 3.29Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L213 PolarHBondContact O-N 3.48Å; Q211-S214 WeakPolarHBondContact O-CB 3.35Å; Q211-S214 PolarHBondContact O-N 3.49Å; Q211-D215 PolarHBondContact NE2-OD1 3.4Å; Q211-D215 PolarHBondContact O-N 2.9Å; Q211-H242 PolarHBondContact OE1-CE1 2.75Å
212L97.1Very high97.2Very high27 Ų2736.5 Ų36.514%0.14119%0.187CC..Hα-helixtrans-61.9-41178.7-179.160.5000112E208 F209 F210 Y216 Y352 I355 Q356 L359E208-L212 VanDerWaalsContact O-CB 3.29Å; E208-L212 WeakPolarHBondContact O-CB 3.47Å; E208-L212 PolarHBondContact O-N 2.92Å; F209-L212 PolarHBondContact O-N 3.28Å; F210-L212 VanDerWaalsContact C-N 3.33Å; F210-L212 PolarHBondContact O-N 2.9Å; L212-Y216 HydrophobicContact CD1-CD2 3.89Å; L212-Y216 HydrophobicContact CD1-CE2 3.71Å; L212-Y216 WeakPolarHBondContact O-CD2 3.45Å; L212-Y216 PolarHBondContact O-N 3.03Å; L212-Y352 HydrophobicContact CB-CE2 4.29Å; L212-Y352 HydrophobicContact CD2-CD2 4.14Å; L212-Y352 HydrophobicContact CD2-CE2 3.7Å; L212-I355 HydrophobicContact CD2-CB 4.32Å; L212-I355 HydrophobicContact CD2-CG2 3.66Å; L212-I355 HydrophobicContact CG-CG2 4.04Å; L212-Q356 HydrophobicContact CD2-CG 3.64Å; L212-L359 HydrophobicContact CD1-CD1 3.92Å; L212-L359 HydrophobicContact CD2-CD1 4.2Å; L212-L359 HydrophobicContact CG-CD1 3.79Å
213L97.9Very high97.1Very high0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-66.9-38.2176.7-67.2165.6000112.1I106 F209 F210 Q211 Y216 H217 I218 V220 I355I106-L213 HydrophobicContact CD1-CD2 3.95Å; I106-L213 HydrophobicContact CG1-CD1 3.75Å; I106-L213 HydrophobicContact CG1-CD2 3.73Å; I106-L213 HydrophobicContact CG1-CG 4.39Å; F209-L213 HydrophobicContact CD1-CD1 3.69Å; F209-L213 HydrophobicContact CD2-CD1 4.35Å; F209-L213 HydrophobicContact CE1-CD1 3.36Å; F209-L213 HydrophobicContact CE2-CD1 4.1Å; F209-L213 HydrophobicContact CG-CD1 4.17Å; F209-L213 HydrophobicContact CZ-CD1 3.6Å; F209-L213 WeakPolarHBondContact O-CD1 3.42Å; F209-L213 VanDerWaalsContact O-CG 3.25Å; F209-L213 WeakPolarHBondContact O-CG 3.4Å; F209-L213 PolarHBondContact O-N 3.29Å; F209-L213 VanDerWaalsContact O-N 3.11Å; F210-L213 HydrophobicContact CD1-CD1 4.11Å; F210-L213 PolarHBondContact O-N 3.19Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L213 PolarHBondContact O-N 3.48Å; L213-Y216 CarbonylContact O-C 3.55Å; L213-Y216 PolarHBondContact O-N 2.89Å; L213-H217 PolarHBondContact O-N 2.94Å; L213-I218 HydrophobicContact CB-CB 4.31Å; L213-I218 HydrophobicContact CD2-CB 3.82Å; L213-I218 HydrophobicContact CD2-CD1 3.83Å; L213-I218 HydrophobicContact CD2-CG1 4.44Å; L213-I218 HydrophobicContact CD2-CG2 3.67Å; L213-I218 PolarHBondContact O-N 2.86Å; L213-V220 HydrophobicContact CB-CG2 4.27Å; L213-V220 HydrophobicContact CD1-CG2 3.84Å; L213-I355 HydrophobicContact CD2-CD1 4.13Å; L213-I355 HydrophobicContact CD2-CG1 4.23Å; L213-I355 HydrophobicContact CD2-CG2 3.91Å
214S97.7Very high97.1Very high27 Ų2735 Ų3519%0.18918%0.179CC..Hα-helixtrans-62.7-49.2175.4176.60000111.4F210 Q211 Y216 H217 N244F210-S214 WeakPolarHBondContact O-CB 3.43Å; F210-S214 PolarHBondContact O-N 2.73Å; Q211-S214 WeakPolarHBondContact O-CB 3.35Å; Q211-S214 PolarHBondContact O-N 3.49Å; S214-Y216 PolarHBondContact O-N 3.44Å; S214-Y216 VanDerWaalsContact O-N 3.12Å; S214-H217 PolarHBondContact O-N 3.12Å; S214-N244 PolarHBondContact N-ND2 3.33Å
215D96.5Very high97.1Very high94 Ų9431.4 Ų31.450%0.50316%0.162SC..Hα-helixtrans-54.5-37.2179.5-67.7-15.1000111.7Q211 H217Q211-D215 PolarHBondContact NE2-OD1 3.4Å; Q211-D215 PolarHBondContact O-N 2.9Å; D215-H217 PolarHBondContact O-ND1 3.37Å
216Y95.6Very high97.2Very high45 Ų4528.5 Ų28.518%0.17615%0.15CC..THydrogen-bonded Turntrans-95.44.6-179.8-74.8-93000114.6K101 L212 L213 S214 I218 L359 E363K101-Y216 HydrophobicContact CD-CD1 3.59Å; K101-Y216 HydrophobicContact CD-CE1 4.46Å; K101-Y216 HydrophobicContact CD-CG 4.42Å; L212-Y216 HydrophobicContact CD1-CD2 3.89Å; L212-Y216 HydrophobicContact CD1-CE2 3.71Å; L212-Y216 WeakPolarHBondContact O-CD2 3.45Å; L212-Y216 PolarHBondContact O-N 3.03Å; L213-Y216 CarbonylContact O-C 3.55Å; L213-Y216 PolarHBondContact O-N 2.89Å; S214-Y216 PolarHBondContact O-N 3.44Å; S214-Y216 VanDerWaalsContact O-N 3.12Å; Y216-I218 VanDerWaalsContact C-N 3.31Å; Y216-I218 PolarHBondContact O-N 3.29Å; Y216-L359 HydrophobicContact CD1-CD1 4.35Å; Y216-L359 HydrophobicContact CD1-CD2 4.07Å; Y216-L359 HydrophobicContact CD2-CD1 3.65Å; Y216-L359 HydrophobicContact CE1-CB 4.34Å; Y216-L359 HydrophobicContact CE1-CD2 4.48Å; Y216-L359 HydrophobicContact CE2-CB 4.49Å; Y216-L359 HydrophobicContact CE2-CD1 4.03Å; Y216-L359 HydrophobicContact CG-CD1 3.8Å; Y216-L359 HydrophobicContact CG-CD2 4.17Å; Y216-L359 HydrophobicContact CG-CG 4.48Å; Y216-E363 PolarHBondContact OH-OE1 2.92Å
217H95.7Very high97.1Very high142 Ų14228.5 Ų28.566%0.65715%0.15SC*.THydrogen-bonded Turntrans54.344.7178.3-55.268.1000112.6L213 S214 D215 R286L213-H217 PolarHBondContact O-N 2.94Å; S214-H217 PolarHBondContact O-N 3.12Å; D215-H217 PolarHBondContact O-ND1 3.37Å; H217-R286 PolarHBondContact O-NH2 2.89Å; H217-R286 VanDerWaalsContact O-NH2 3.09Å
218I96.8Very high97.1Very high0 Ų025.7 Ų25.70%013%0.13CC..  trans-91.4118.3177.4-66.4166.2000108.6K101 L104 I106 L213 Y216 N244 L359K101-I218 HydrophobicContact CB-CD1 4.06Å; K101-I218 HydrophobicContact CB-CG1 4.23Å; L104-I218 HydrophobicContact CD2-CD1 4.47Å; L104-I218 HydrophobicContact CG-CG2 4.38Å; L104-I218 WeakPolarHBondContact O-CG2 3.43Å; I106-I218 HydrophobicContact CD1-CG2 4.35Å; I106-I218 HydrophobicContact CG1-CG2 4.05Å; L213-I218 HydrophobicContact CB-CB 4.31Å; L213-I218 HydrophobicContact CD2-CB 3.82Å; L213-I218 HydrophobicContact CD2-CD1 3.83Å; L213-I218 HydrophobicContact CD2-CG1 4.44Å; L213-I218 HydrophobicContact CD2-CG2 3.67Å; L213-I218 PolarHBondContact O-N 2.86Å; Y216-I218 VanDerWaalsContact C-N 3.31Å; Y216-I218 PolarHBondContact O-N 3.29Å; I218-N244 PolarHBondContact O-ND2 3.44Å; I218-L359 HydrophobicContact CD1-CD1 4.15Å; I218-L359 HydrophobicContact CD1-CD2 3.79Å
219P96.9Very high97.1Very high30 Ų3023.6 Ų23.620%0.19512%0.122CC..  trans-59.7140.5-180-2332.5000111.7E105 I106 N244E105-P219 HydrophobicContact CG-CB 4Å; I106-P219 PolarHBondContact N-O 3.1Å; P219-N244 WeakPolarHBondContact CA-O 3.47Å
220V97.3Very high97.1Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-123.8126.2173.4-177.10000108.3I106 T108 F210 L213 V222 N244 M245 R246I106-V220 HydrophobicContact CB-CB 4.5Å; I106-V220 HydrophobicContact CB-CG1 4.33Å; I106-V220 HydrophobicContact CB-CG2 4.18Å; I106-V220 HydrophobicContact CG1-CG2 4.26Å; I106-V220 WeakPolarHBondContact O-CA 3.28Å; T108-V220 HydrophobicContact CG2-CG1 4.3Å; F210-V220 HydrophobicContact CE1-CG1 3.83Å; F210-V220 HydrophobicContact CZ-CG1 4.44Å; L213-V220 HydrophobicContact CB-CG2 4.27Å; L213-V220 HydrophobicContact CD1-CG2 3.84Å; V220-V222 HydrophobicContact CG1-CG2 4.34Å; V220-N244 PolarHBondContact N-O 2.91Å; V220-M245 HydrophobicContact CB-CB 4.46Å; V220-M245 HydrophobicContact CB-CG 4Å; V220-M245 HydrophobicContact CG2-CG 4.38Å; V220-M245 CarbonylContact O-C 3.58Å; V220-M245 WeakPolarHBondContact O-CA 3.33Å; V220-R246 PolarHBondContact O-N 2.97Å
221L96Very high97.1Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-107.7110.1169.5175.563.1000108.5I106 I107 T108 F223 R246 V248 I278 P284I106-L221 PolarHBondContact O-N 3.18Å; I107-L221 WeakPolarHBondContact CA-O 3.38Å; I107-L221 HydrophobicContact CG1-CB 4.46Å; I107-L221 HydrophobicContact CG2-CB 4.5Å; I107-L221 HydrophobicContact CG2-CD2 4.2Å; I107-L221 HydrophobicContact CG2-CG 4.4Å; T108-L221 PolarHBondContact N-O 3.35Å; L221-F223 HydrophobicContact CD2-CB 4.43Å; L221-F223 HydrophobicContact CG-CB 4.18Å; L221-F223 PolarHBondContact O-N 2.94Å; L221-R246 WeakPolarHBondContact CA-O 3.33Å; L221-R246 HydrophobicContact CD1-CB 4.46Å; L221-V248 HydrophobicContact CD1-CB 4.19Å; L221-V248 HydrophobicContact CD1-CG2 3.64Å; L221-I278 HydrophobicContact CD2-CD1 3.67Å; L221-P284 HydrophobicContact CD2-CG 4.01Å
222V97.1Very high97Very high0 Ų021.8 Ų21.80%011%0.114CC..EExtended strand (participates in β ladder)trans-83.9106.2166.2-177.30000106.9T108 F110 L114 V220 I231 L235 M245 R246 V247 V248T108-V222 HydrophobicContact CG2-CB 4.49Å; T108-V222 HydrophobicContact CG2-CG2 4Å; T108-V222 CarbonylContact O-C 3.54Å; T108-V222 VanDerWaalsContact O-CA 3.3Å; T108-V222 WeakPolarHBondContact O-CA 3.47Å; F110-V222 HydrophobicContact CB-CG1 3.94Å; F110-V222 HydrophobicContact CD2-CG1 4.47Å; L114-V222 HydrophobicContact CD1-CG1 4.2Å; L114-V222 HydrophobicContact CD1-CG2 4.16Å; V220-V222 HydrophobicContact CG1-CG2 4.34Å; V222-I231 HydrophobicContact CG1-CG2 4.1Å; V222-L235 HydrophobicContact CG2-CD1 4.33Å; V222-M245 HydrophobicContact CG2-CE 4.06Å; V222-R246 PolarHBondContact N-O 3.34Å; V222-V247 HydrophobicContact CB-CG2 4.1Å; V222-V247 CarbonylContact O-C 3.6Å; V222-V247 WeakPolarHBondContact O-CA 3.31Å; V222-V248 PolarHBondContact O-N 3.38Å
223F95.9Very high97.1Very high1 Ų122 Ų220%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-114.6110.1-178.2-172.1-169.9000108.6I107 T108 D109 L221 V248 I268 K273 T274 I278 M301I107-F223 HydrophobicContact CG2-CB 4.34Å; T108-F223 PolarHBondContact O-N 2.83Å; D109-F223 WeakPolarHBondContact CA-O 3.34Å; L221-F223 HydrophobicContact CD2-CB 4.43Å; L221-F223 HydrophobicContact CG-CB 4.18Å; L221-F223 PolarHBondContact O-N 2.94Å; F223-V248 WeakPolarHBondContact CA-O 3.39Å; F223-V248 HydrophobicContact CD2-CB 3.91Å; F223-V248 HydrophobicContact CD2-CG1 3.67Å; F223-V248 HydrophobicContact CE2-CB 4.36Å; F223-V248 HydrophobicContact CE2-CG1 3.62Å; F223-I268 HydrophobicContact CE2-CD1 4.02Å; F223-I268 HydrophobicContact CE2-CG1 4.41Å; F223-I268 HydrophobicContact CE2-CG2 3.87Å; F223-K273 HydrophobicContact CD1-CB 4.37Å; F223-K273 VanDerWaalsContact CE1-C 3.49Å; F223-K273 HydrophobicContact CE1-CB 3.97Å; F223-K273 HydrophobicContact CE2-CG 4.47Å; F223-K273 HydrophobicContact CZ-CB 4.07Å; F223-K273 HydrophobicContact CZ-CG 4.46Å; F223-K273 WeakPolarHBondContact O-CE 3.4Å; F223-K273 PolarHBondContact O-NZ 3.33Å; F223-T274 WeakPolarHBondContact CE1-O 3.29Å; F223-I278 HydrophobicContact CD1-CD1 3.97Å; F223-I278 HydrophobicContact CD1-CG1 4.48Å; F223-I278 HydrophobicContact CE1-CD1 3.79Å; F223-I278 HydrophobicContact CE1-CG1 3.84Å; F223-I278 HydrophobicContact CE2-CG1 4.23Å; F223-I278 HydrophobicContact CG-CD1 4.41Å; F223-I278 HydrophobicContact CZ-CD1 4.08Å; F223-I278 HydrophobicContact CZ-CG1 3.68Å; F223-M301 HydrophobicContact CB-SD 3.9Å; F223-M301 HydrophobicContact CD1-CB 4.05Å; F223-M301 HydrophobicContact CD1-CG 3.81Å; F223-M301 HydrophobicContact CD1-SD 4.11Å; F223-M301 HydrophobicContact CE1-CG 4.41Å; F223-M301 HydrophobicContact CG-SD 4.25Å
224S96.8Very high97Very high1 Ų122.5 Ų22.51%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-134151.2-173.8-169.50000112.3D109 G226 V248 S249D109-S224 VanDerWaalsContact OD1-CA 3.31Å; D109-S224 WeakPolarHBondContact OD1-CA 3.39Å; D109-S224 WeakPolarHBondContact OD1-CB 3.45Å; D109-S224 PolarHBondContact OD1-OG 2.82Å; S224-G226 PolarHBondContact OG-N 2.88Å; S224-G226 VanDerWaalsContact OG-N 3.11Å; S224-V248 PolarHBondContact N-O 3.03Å; S224-S249 VanDerWaalsContact O-CA 3.3Å; S224-S249 WeakPolarHBondContact O-CA 3.24Å; S224-S249 PolarHBondContact O-OG 2.83Å
225A96.5Very high97.1Very high12 Ų1221.2 Ų21.210%0.09911%0.11CC..EExtended strand (participates in β ladder)trans-83.2-0.3167.100000112.4Y128 W174 N250 I268 K273Y128-A225 WeakPolarHBondContact CE2-O 3.36Å; W174-A225 HydrophobicContact CZ2-CB 3.81Å; W174-A225 PolarHBondContact NE1-O 3.31Å; A225-N250 PolarHBondContact O-ND2 2.67Å; A225-I268 HydrophobicContact CB-CG2 4.27Å; A225-K273 HydrophobicContact CB-CD 4.36Å
226G97.2Very high97.1Very high3 Ų321.4 Ų21.43%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-68.9-160177.900000114.9S127 S224 S249 N250S127-G226 WeakPolarHBondContact OG-CA 3.14Å; S224-G226 PolarHBondContact OG-N 2.88Å; S224-G226 VanDerWaalsContact OG-N 3.11Å; G226-S249 VanDerWaalsContact C-OG 3.24Å; G226-S249 PolarHBondContact O-OG 2.74Å; G226-N250 WeakPolarHBondContact O-CB 3.07Å; G226-N250 PolarHBondContact O-N 3.43Å; G226-N250 PolarHBondContact O-ND2 3.21Å; G226-N250 VanDerWaalsContact O-ND2 3.13Å
227L97.6Very high97Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-95.4115174.2-69.7179.8000111.1S127 Y128 F131 I181 D229 V230 I231 M252 F263S127-L227 PolarHBondContact OG-N 3.2Å; Y128-L227 HydrophobicContact CD1-CD1 3.79Å; Y128-L227 HydrophobicContact CD1-CD2 4.04Å; Y128-L227 HydrophobicContact CD1-CG 3.76Å; Y128-L227 HydrophobicContact CD2-CG 4.07Å; Y128-L227 HydrophobicContact CE1-CD1 4Å; Y128-L227 HydrophobicContact CE1-CD2 3.36Å; Y128-L227 HydrophobicContact CE1-CG 3.58Å; Y128-L227 HydrophobicContact CE2-CD2 4.17Å; Y128-L227 HydrophobicContact CE2-CG 3.92Å; Y128-L227 HydrophobicContact CG-CD1 4.15Å; Y128-L227 HydrophobicContact CG-CG 3.99Å; Y128-L227 VanDerWaalsContact CZ-CD2 3.44Å; F131-L227 HydrophobicContact CD2-CD1 3.99Å; F131-L227 HydrophobicContact CE2-CD1 3.47Å; F131-L227 VanDerWaalsContact CE2-CD1 3.47Å; I181-L227 HydrophobicContact CD1-CD1 4.26Å; L227-D229 PolarHBondContact O-N 3.44Å; L227-V230 HydrophobicContact CB-CB 3.94Å; L227-V230 HydrophobicContact CB-CG2 3.81Å; L227-V230 HydrophobicContact CD1-CG2 4.08Å; L227-V230 PolarHBondContact O-N 3.41Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.34Å; L227-I231 PolarHBondContact O-N 3.26Å; L227-M252 HydrophobicContact CB-CE 4.46Å; L227-M252 HydrophobicContact CD1-CE 3.8Å; L227-M252 HydrophobicContact CD2-CE 4.24Å; L227-M252 HydrophobicContact CG-CE 4.43Å; L227-F263 HydrophobicContact CD2-CD1 4.21Å; L227-F263 HydrophobicContact CD2-CE1 3.48Å; L227-F263 VanDerWaalsContact CD2-CE1 3.48Å; L227-F263 HydrophobicContact CD2-CZ 4.22Å
228G97.5Very high97Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-58.9-48.2-173.100000113.9V230 I231 D232 S249 N250 F251G228-V230 VanDerWaalsContact C-N 3.3Å; G228-V230 PolarHBondContact O-N 3.11Å; G228-I231 PolarHBondContact O-N 3.03Å; G228-D232 WeakPolarHBondContact O-CB 3.31Å; G228-D232 PolarHBondContact O-N 3.43Å; G228-S249 PolarHBondContact N-OG 3.04Å; G228-N250 PolarHBondContact N-O 2.82Å; G228-F251 VanDerWaalsContact C-CE1 3.5Å
229D97.8Very high97Very high28 Ų2825.7 Ų25.715%0.1514%0.143CC..Hα-helixtrans-64.4-35179.4-60.6-114.5000112.3L191 L227 L233 F251 M252L191-D229 HydrophobicContact CD2-CB 3.76Å; L227-D229 PolarHBondContact O-N 3.44Å; D229-L233 VanDerWaalsContact O-CB 3.27Å; D229-L233 WeakPolarHBondContact O-CB 3.04Å; D229-L233 WeakPolarHBondContact O-CD1 3.49Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.33Å; D229-F251 WeakPolarHBondContact OD2-CA 3.46Å; D229-F251 WeakPolarHBondContact OD2-CD1 3.37Å; D229-M252 HydrophobicContact CB-CG 4.47Å; D229-M252 HydrophobicContact CB-SD 4.34Å; D229-M252 WeakPolarHBondContact OD2-CB 3.48Å; D229-M252 PolarHBondContact OD2-N 2.65Å
230V97.9Very high97Very high0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-65.7-49.6175.11710000110I130 L191 V195 L200 L227 G228 D232 L233 S234 M252I130-V230 HydrophobicContact CD1-CB 4.28Å; I130-V230 HydrophobicContact CD1-CG1 3.75Å; I130-V230 HydrophobicContact CD1-CG2 3.51Å; I130-V230 HydrophobicContact CG2-CG1 4.41Å; L191-V230 HydrophobicContact CD1-CG2 4.21Å; V195-V230 HydrophobicContact CG2-CB 4.28Å; V195-V230 HydrophobicContact CG2-CG1 4.09Å; V195-V230 HydrophobicContact CG2-CG2 4.13Å; L200-V230 HydrophobicContact CD2-CG1 4.19Å; L227-V230 HydrophobicContact CB-CB 3.94Å; L227-V230 HydrophobicContact CB-CG2 3.81Å; L227-V230 HydrophobicContact CD1-CG2 4.08Å; L227-V230 PolarHBondContact O-N 3.41Å; G228-V230 VanDerWaalsContact C-N 3.3Å; G228-V230 PolarHBondContact O-N 3.11Å; V230-D232 VanDerWaalsContact C-N 3.33Å; V230-D232 PolarHBondContact O-N 2.97Å; V230-L233 PolarHBondContact O-N 2.88Å; V230-S234 WeakPolarHBondContact O-CB 3.35Å; V230-S234 PolarHBondContact O-N 2.91Å; V230-S234 PolarHBondContact O-OG 3.44Å; V230-M252 HydrophobicContact CG2-CE 4.34Å
231I98.5Very high97.1Very high0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-57.5-48.8178.2-68167.6000110.4F110 V222 L227 G228 L233 S234 L235 V247F110-I231 HydrophobicContact CB-CD1 3.96Å; F110-I231 HydrophobicContact CB-CG1 4.14Å; F110-I231 HydrophobicContact CB-CG2 4.22Å; F110-I231 HydrophobicContact CD1-CB 4.46Å; F110-I231 HydrophobicContact CD1-CD1 4.19Å; F110-I231 HydrophobicContact CD1-CG1 3.59Å; F110-I231 HydrophobicContact CD1-CG2 4.43Å; F110-I231 HydrophobicContact CD2-CB 4.41Å; F110-I231 HydrophobicContact CD2-CG1 4.31Å; F110-I231 HydrophobicContact CD2-CG2 3.59Å; F110-I231 HydrophobicContact CE1-CG1 4Å; F110-I231 HydrophobicContact CE2-CG2 3.99Å; F110-I231 HydrophobicContact CG-CB 4.33Å; F110-I231 HydrophobicContact CG-CD1 4.14Å; F110-I231 HydrophobicContact CG-CG1 3.74Å; F110-I231 HydrophobicContact CG-CG2 3.83Å; V222-I231 HydrophobicContact CG1-CG2 4.1Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.34Å; L227-I231 PolarHBondContact O-N 3.26Å; G228-I231 PolarHBondContact O-N 3.03Å; I231-L233 PolarHBondContact O-N 3.21Å; I231-S234 PolarHBondContact O-N 3.46Å; I231-L235 HydrophobicContact CG2-CD1 3.98Å; I231-L235 HydrophobicContact CG2-CG 4.48Å; I231-L235 VanDerWaalsContact O-CG 3.3Å; I231-L235 WeakPolarHBondContact O-CG 3.42Å; I231-L235 PolarHBondContact O-N 2.81Å; I231-V247 HydrophobicContact CG2-CG1 4.03Å; I231-V247 HydrophobicContact CG2-CG2 4.35Å
232D97.7Very high97.2Very high47 Ų4729 Ų2925%0.25115%0.153SC..Hα-helixtrans-60-48.7-179.4-168.9-156.1000111.2G228 V230 S234 L235 H236 Y241G228-D232 WeakPolarHBondContact O-CB 3.31Å; G228-D232 PolarHBondContact O-N 3.43Å; V230-D232 VanDerWaalsContact C-N 3.33Å; V230-D232 PolarHBondContact O-N 2.97Å; D232-S234 VanDerWaalsContact C-N 3.34Å; D232-S234 PolarHBondContact O-N 3.49Å; D232-L235 PolarHBondContact O-N 2.91Å; D232-H236 PolarHBondContact O-N 3.28Å; D232-H236 PolarHBondContact O-ND1 3.03Å; D232-H236 IonicContact OD2-CE1 2.66Å; D232-H236 PolarHBondContact OD2-CE1 2.95Å; D232-H236 IonicContact OD2-ND1 2.7Å; D232-H236 PolarHBondContact OD2-ND1 3.34Å; D232-Y241 WeakPolarHBondContact OD2-CD2 3.39Å; D232-Y241 WeakPolarHBondContact OD2-CE2 3.34Å
233L97.4Very high97.1Very high31 Ų3137.3 Ų37.316%0.16220%0.198CC..Hα-helixtrans-62.8-38175.9-73.5170.8000112.6L191 E192 V195 D229 V230 I231 H236 H237L191-L233 HydrophobicContact CB-CD1 4.47Å; L191-L233 HydrophobicContact CD2-CD1 3.9Å; L191-L233 HydrophobicContact CG-CD1 3.8Å; E192-L233 HydrophobicContact CG-CD1 4.14Å; E192-L233 HydrophobicContact CG-CD2 3.76Å; V195-L233 HydrophobicContact CB-CB 4.24Å; V195-L233 HydrophobicContact CG1-CB 3.95Å; V195-L233 HydrophobicContact CG2-CB 4.14Å; V195-L233 HydrophobicContact CG2-CD1 3.99Å; D229-L233 VanDerWaalsContact O-CB 3.27Å; D229-L233 WeakPolarHBondContact O-CB 3.04Å; D229-L233 WeakPolarHBondContact O-CD1 3.49Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.33Å; V230-L233 PolarHBondContact O-N 2.88Å; I231-L233 PolarHBondContact O-N 3.21Å; L233-H236 PolarHBondContact O-N 3.11Å; L233-H237 VanDerWaalsContact O-CB 3.28Å; L233-H237 WeakPolarHBondContact O-CB 3.35Å; L233-H237 VanDerWaalsContact O-CG 3.3Å; L233-H237 PolarHBondContact O-N 3.41Å; L233-H237 PolarHBondContact O-ND1 3.39Å
234S97.4Very high97.2Very high11 Ų1138.6 Ų38.68%0.07720%0.204CC..Hα-helixtrans-66.1-42.5177.5-640000112.3V195 L200 V230 I231 D232 H237 A238V195-S234 VanDerWaalsContact CG1-OG 3.26Å; V195-S234 WeakPolarHBondContact CG1-OG 3.47Å; L200-S234 WeakPolarHBondContact CD2-OG 3.5Å; V230-S234 WeakPolarHBondContact O-CB 3.35Å; V230-S234 PolarHBondContact O-N 2.91Å; V230-S234 PolarHBondContact O-OG 3.44Å; I231-S234 PolarHBondContact O-N 3.46Å; D232-S234 VanDerWaalsContact C-N 3.34Å; D232-S234 PolarHBondContact O-N 3.49Å; S234-H237 PolarHBondContact O-N 3.13Å; S234-A238 WeakPolarHBondContact O-CB 3.42Å; S234-A238 PolarHBondContact O-N 2.84Å
235L98.3Very high97.2Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-66.2-39.6176.8-67.3173000111.7F110 L202 F210 V222 I231 D232 N239 V240 Y241 M245 V247F110-L235 HydrophobicContact CD2-CD2 4.41Å; F110-L235 HydrophobicContact CE2-CD2 3.95Å; F110-L235 HydrophobicContact CE2-CG 4.08Å; L202-L235 HydrophobicContact CD1-CD2 4.29Å; F210-L235 HydrophobicContact CE2-CD2 4.02Å; V222-L235 HydrophobicContact CG2-CD1 4.33Å; I231-L235 HydrophobicContact CG2-CD1 3.98Å; I231-L235 HydrophobicContact CG2-CG 4.48Å; I231-L235 VanDerWaalsContact O-CG 3.3Å; I231-L235 WeakPolarHBondContact O-CG 3.42Å; I231-L235 PolarHBondContact O-N 2.81Å; D232-L235 PolarHBondContact O-N 2.91Å; L235-N239 PolarHBondContact O-N 3.29Å; L235-V240 HydrophobicContact CB-CG2 4.28Å; L235-V240 HydrophobicContact CD2-CG2 3.72Å; L235-V240 PolarHBondContact O-N 3.35Å; L235-Y241 HydrophobicContact CB-CD2 3.79Å; L235-Y241 HydrophobicContact CB-CG 4.43Å; L235-Y241 HydrophobicContact CD1-CD2 3.88Å; L235-Y241 HydrophobicContact CD1-CE2 4.29Å; L235-Y241 PolarHBondContact O-N 2.87Å; L235-M245 HydrophobicContact CD1-CE 4.11Å; L235-V247 HydrophobicContact CD1-CG2 4.18Å
236H96.9Very high97.1Very high98 Ų9841.7 Ų41.745%0.45421%0.214SC..Hα-helixtrans-67.5-44.6174.7-78.790.1000112.3D232 L233 A238 N239 Y241D232-H236 PolarHBondContact O-N 3.28Å; D232-H236 PolarHBondContact O-ND1 3.03Å; D232-H236 IonicContact OD2-CE1 2.66Å; D232-H236 PolarHBondContact OD2-CE1 2.95Å; D232-H236 IonicContact OD2-ND1 2.7Å; D232-H236 PolarHBondContact OD2-ND1 3.34Å; L233-H236 PolarHBondContact O-N 3.11Å; H236-A238 VanDerWaalsContact C-N 3.3Å; H236-A238 PolarHBondContact O-N 3.07Å; H236-N239 WeakPolarHBondContact O-CA 3.3Å; H236-N239 PolarHBondContact O-N 2.94Å; H236-Y241 AromaticContact CE1-CD1 3.6Å; H236-Y241 AromaticContact CE1-CD2 3.59Å; H236-Y241 AromaticContact CE1-CG 3.35Å; H236-Y241 AromaticContact ND1-CD2 3.78Å; H236-Y241 AromaticContact ND1-CG 3.75Å; H236-Y241 AromaticContact NE2-CD1 3.77Å; H236-Y241 AromaticContact NE2-CG 3.79Å
237H94.2Very high97Very high90 Ų9042.4 Ų42.442%0.41722%0.218SC..Hα-helixtrans-62.1-37.2176.6-81.5124.3000112.7E192 L233 S234 N239E192-H237 PolarHBondContact O-CE1 2.91Å; L233-H237 VanDerWaalsContact O-CB 3.28Å; L233-H237 WeakPolarHBondContact O-CB 3.35Å; L233-H237 VanDerWaalsContact O-CG 3.3Å; L233-H237 PolarHBondContact O-N 3.41Å; L233-H237 PolarHBondContact O-ND1 3.39Å; S234-H237 PolarHBondContact O-N 3.13Å; H237-N239 PolarHBondContact O-N 2.89Å
238A95.7Very high96.8Very high49 Ų4943.4 Ų43.441%0.40522%0.223SC..THydrogen-bonded Turntrans-75-4.917400000113.3L202 S234 H236 V240L202-A238 HydrophobicContact CD1-CB 3.66Å; L202-A238 HydrophobicContact CG-CB 4.48Å; S234-A238 WeakPolarHBondContact O-CB 3.42Å; S234-A238 PolarHBondContact O-N 2.84Å; H236-A238 VanDerWaalsContact C-N 3.3Å; H236-A238 PolarHBondContact O-N 3.07Å; A238-V240 VanDerWaalsContact C-N 3.31Å; A238-V240 HydrophobicContact CB-CG1 4.23Å; A238-V240 HydrophobicContact CB-CG2 4.13Å; A238-V240 WeakPolarHBondContact O-CG1 3.49Å; A238-V240 PolarHBondContact O-N 2.89Å
239N96.5Very high96.7Very high139 Ų13943.6 Ų43.674%0.74323%0.225SC*.THydrogen-bonded Turntrans55.144.2-176-168.964.3000112.6L235 H236 H237L235-N239 PolarHBondContact O-N 3.29Å; H236-N239 WeakPolarHBondContact O-CA 3.3Å; H236-N239 PolarHBondContact O-N 2.94Å; H237-N239 PolarHBondContact O-N 2.89Å
240V97.9Very high96.7Very high2 Ų242.2 Ų42.21%0.01222%0.217CC..  trans-1242.1178.9-53.70000113.3L202 F210 L235 A238 H242L202-V240 HydrophobicContact CD1-CG2 3.65Å; F210-V240 HydrophobicContact CD2-CB 4.01Å; F210-V240 HydrophobicContact CD2-CG2 3.95Å; F210-V240 HydrophobicContact CE2-CG2 4.35Å; L235-V240 HydrophobicContact CB-CG2 4.28Å; L235-V240 HydrophobicContact CD2-CG2 3.72Å; L235-V240 PolarHBondContact O-N 3.35Å; A238-V240 VanDerWaalsContact C-N 3.31Å; A238-V240 HydrophobicContact CB-CG1 4.23Å; A238-V240 HydrophobicContact CB-CG2 4.13Å; A238-V240 WeakPolarHBondContact O-CG1 3.49Å; A238-V240 PolarHBondContact O-N 2.89Å; V240-H242 PolarHBondContact O-CD2 2.97Å
241Y97.9Very high96.7Very high69 Ų6945.2 Ų45.227%0.27123%0.231SC..  trans-79.7118.4174-160.8-75.3000109.8D232 L235 H236 M245 V247D232-Y241 WeakPolarHBondContact OD2-CD2 3.39Å; D232-Y241 WeakPolarHBondContact OD2-CE2 3.34Å; L235-Y241 HydrophobicContact CB-CD2 3.79Å; L235-Y241 HydrophobicContact CB-CG 4.43Å; L235-Y241 HydrophobicContact CD1-CD2 3.88Å; L235-Y241 HydrophobicContact CD1-CE2 4.29Å; L235-Y241 PolarHBondContact O-N 2.87Å; H236-Y241 AromaticContact CE1-CD1 3.6Å; H236-Y241 AromaticContact CE1-CD2 3.59Å; H236-Y241 AromaticContact CE1-CG 3.35Å; H236-Y241 AromaticContact ND1-CD2 3.78Å; H236-Y241 AromaticContact ND1-CG 3.75Å; H236-Y241 AromaticContact NE2-CD1 3.77Å; H236-Y241 AromaticContact NE2-CG 3.79Å; Y241-M245 HydrophobicContact CE1-CB 4.48Å; Y241-M245 PolarHBondContact OH-O 2.93Å; Y241-V247 HydrophobicContact CE2-CG2 3.74Å
242H97.9Very high96.6Very high28 Ų2845.9 Ų45.913%0.1323%0.234CC..  trans-119.3161.8-178.1-62.5-84.2000112.1Q211 V240 N244 M245Q211-H242 PolarHBondContact OE1-CE1 2.75Å; V240-H242 PolarHBondContact O-CD2 2.97Å; H242-N244 WeakPolarHBondContact CB-OD1 3.25Å; H242-N244 PolarHBondContact O-N 3.35Å; H242-N244 VanDerWaalsContact O-N 3.14Å; H242-M245 HydrophobicContact CB-CG 4.23Å; H242-M245 HydrophobicContact CB-SD 4.15Å; H242-M245 PolarHBondContact N-SD 3.27Å; H242-M245 VanDerWaalsContact O-CB 3.25Å; H242-M245 WeakPolarHBondContact O-CB 3.48Å; H242-M245 WeakPolarHBondContact O-CG 3.3Å; H242-M245 PolarHBondContact O-N 3.37Å
243D96.6Very high96.6Very high175 Ų17548.2 Ų48.294%0.93624%0.243SC*.THydrogen-bonded Turntrans-62.7-22.6-175.5-67.2-18.5000114.6M245D243-M245 PolarHBondContact O-N 3.28Å
244N96.5Very high96.6Very high27 Ų2748.7 Ų48.714%0.14424%0.244CC..THydrogen-bonded Turntrans-80.9-0.6175.162-48.7000113.2S214 I218 P219 V220 H242S214-N244 PolarHBondContact N-ND2 3.33Å; I218-N244 PolarHBondContact O-ND2 3.44Å; P219-N244 WeakPolarHBondContact CA-O 3.47Å; V220-N244 PolarHBondContact N-O 2.91Å; H242-N244 WeakPolarHBondContact CB-OD1 3.25Å; H242-N244 PolarHBondContact O-N 3.35Å; H242-N244 VanDerWaalsContact O-N 3.14Å
245M96.7Very high96.6Very high6 Ų650.4 Ų50.43%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-100.7146.7-176.6-55.2-179.95800112.1F210 V220 V222 L235 Y241 H242 D243F210-M245 HydrophobicContact CB-SD 4.48Å; F210-M245 HydrophobicContact CD1-CE 4.38Å; F210-M245 HydrophobicContact CD2-CE 3.74Å; F210-M245 HydrophobicContact CD2-SD 4.06Å; F210-M245 HydrophobicContact CE1-CE 4.16Å; F210-M245 HydrophobicContact CE2-CE 3.48Å; F210-M245 VanDerWaalsContact CE2-CE 3.48Å; F210-M245 HydrophobicContact CE2-SD 4.4Å; F210-M245 HydrophobicContact CG-CE 4.21Å; F210-M245 HydrophobicContact CG-SD 4.14Å; F210-M245 HydrophobicContact CZ-CE 3.7Å; V220-M245 HydrophobicContact CB-CB 4.46Å; V220-M245 HydrophobicContact CB-CG 4Å; V220-M245 HydrophobicContact CG2-CG 4.38Å; V220-M245 CarbonylContact O-C 3.58Å; V220-M245 WeakPolarHBondContact O-CA 3.33Å; V222-M245 HydrophobicContact CG2-CE 4.06Å; L235-M245 HydrophobicContact CD1-CE 4.11Å; Y241-M245 HydrophobicContact CE1-CB 4.48Å; Y241-M245 PolarHBondContact OH-O 2.93Å; H242-M245 HydrophobicContact CB-CG 4.23Å; H242-M245 HydrophobicContact CB-SD 4.15Å; H242-M245 PolarHBondContact N-SD 3.27Å; H242-M245 VanDerWaalsContact O-CB 3.25Å; H242-M245 WeakPolarHBondContact O-CB 3.48Å; H242-M245 WeakPolarHBondContact O-CG 3.3Å; H242-M245 PolarHBondContact O-N 3.37Å; D243-M245 PolarHBondContact O-N 3.28Å
246R94.3Very high96.6Very high72 Ų7258.8 Ų58.827%0.27230%0.297SS..EExtended strand (participates in β ladder)trans-138.6140.3173.3-61.7175.8-66.1112.4-4.5108.9E105 V220 L221 V222 S282E105-R246 IonicContact OE1-NH2 3.86Å; E105-R246 PolarHBondContact OE1-NH2 3.08Å; V220-R246 PolarHBondContact O-N 2.97Å; L221-R246 WeakPolarHBondContact CA-O 3.33Å; L221-R246 HydrophobicContact CD1-CB 4.46Å; V222-R246 PolarHBondContact N-O 3.34Å; R246-S282 VanDerWaalsContact NH1-C 3.33Å; R246-S282 VanDerWaalsContact NH1-CB 3.33Å; R246-S282 PolarHBondContact NH1-O 3.16Å; R246-S282 PolarHBondContact NH2-O 3.2Å
247V94.9Very high96.5Very high19 Ų1960.7 Ų60.712%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-108.9130.4176.3179.90000109.3V222 I231 L235 Y241 F251V222-V247 HydrophobicContact CB-CG2 4.1Å; V222-V247 CarbonylContact O-C 3.6Å; V222-V247 WeakPolarHBondContact O-CA 3.31Å; I231-V247 HydrophobicContact CG2-CG1 4.03Å; I231-V247 HydrophobicContact CG2-CG2 4.35Å; L235-V247 HydrophobicContact CD1-CG2 4.18Å; Y241-V247 HydrophobicContact CE2-CG2 3.74Å; V247-F251 HydrophobicContact CB-CZ 3.94Å; V247-F251 HydrophobicContact CG1-CE2 4.26Å; V247-F251 HydrophobicContact CG1-CZ 3.75Å; V247-F251 WeakPolarHBondContact O-CE2 3.43Å
248V94.7Very high96.6Very high20 Ų2057.2 Ų57.212%0.12130%0.299CS..EExtended strand (participates in β ladder)trans-121.4116.4169.31750000107.1L221 V222 F223 S224 I268 I278L221-V248 HydrophobicContact CD1-CB 4.19Å; L221-V248 HydrophobicContact CD1-CG2 3.64Å; V222-V248 PolarHBondContact O-N 3.38Å; F223-V248 WeakPolarHBondContact CA-O 3.39Å; F223-V248 HydrophobicContact CD2-CB 3.91Å; F223-V248 HydrophobicContact CD2-CG1 3.67Å; F223-V248 HydrophobicContact CE2-CB 4.36Å; F223-V248 HydrophobicContact CE2-CG1 3.62Å; S224-V248 PolarHBondContact N-O 3.03Å; V248-I268 HydrophobicContact CG1-CD1 3.77Å; V248-I278 HydrophobicContact CG1-CD1 4.5Å; V248-I278 HydrophobicContact CG1-CG1 4.21Å; V248-I278 HydrophobicContact CG1-CG2 4.15Å; V248-I278 HydrophobicContact CG2-CD1 4.47Å; V248-I278 HydrophobicContact CG2-CG2 3.9Å
249S96.1Very high96.6Very high4 Ų459.3 Ų59.33%0.02830%0.299CS..EExtended strand (participates in β ladder)trans-165.6-177.8-172.9-170.40000110.4S224 G226 G228 F251S224-S249 VanDerWaalsContact O-CA 3.3Å; S224-S249 WeakPolarHBondContact O-CA 3.24Å; S224-S249 PolarHBondContact O-OG 2.83Å; G226-S249 VanDerWaalsContact C-OG 3.24Å; G226-S249 PolarHBondContact O-OG 2.74Å; G228-S249 PolarHBondContact N-OG 3.04Å; S249-F251 WeakPolarHBondContact O-CD2 3.31Å; S249-F251 PolarHBondContact O-N 3.46Å; S249-F251 VanDerWaalsContact O-N 3.1Å
250N96.7Very high96.6Very high0 Ų052.7 Ų52.70%026%0.264CS..EExtended strand (participates in β ladder)trans-77.793174.1-59.2-70.8000109.6W174 A225 G226 G228 I267 I268W174-N250 PolarHBondContact NE1-ND2 3.49Å; A225-N250 PolarHBondContact O-ND2 2.67Å; G226-N250 WeakPolarHBondContact O-CB 3.07Å; G226-N250 PolarHBondContact O-N 3.43Å; G226-N250 PolarHBondContact O-ND2 3.21Å; G226-N250 VanDerWaalsContact O-ND2 3.13Å; G228-N250 PolarHBondContact N-O 2.82Å; N250-I267 WeakPolarHBondContact OD1-CA 3.34Å; N250-I268 PolarHBondContact ND2-O 2.92Å; N250-I268 PolarHBondContact OD1-N 3.32Å
251F96.9Very high96.6Very high63 Ų6357.1 Ų57.128%0.27629%0.287SS..  trans-80.2142.2178.9-77.1-83.8000111.6G228 D229 V247 S249 F263 S264G228-F251 VanDerWaalsContact C-CE1 3.5Å; D229-F251 WeakPolarHBondContact OD2-CA 3.46Å; D229-F251 WeakPolarHBondContact OD2-CD1 3.37Å; V247-F251 HydrophobicContact CB-CZ 3.94Å; V247-F251 HydrophobicContact CG1-CE2 4.26Å; V247-F251 HydrophobicContact CG1-CZ 3.75Å; V247-F251 WeakPolarHBondContact O-CE2 3.43Å; S249-F251 WeakPolarHBondContact O-CD2 3.31Å; S249-F251 PolarHBondContact O-N 3.46Å; S249-F251 VanDerWaalsContact O-N 3.1Å; F251-F263 CarbonylContact O-C 3.53Å; F251-F263 VanDerWaalsContact O-CA 3.26Å; F251-F263 WeakPolarHBondContact O-CA 3.25Å; F251-S264 PolarHBondContact N-OG 2.86Å; F251-S264 PolarHBondContact O-N 2.86Å; F251-S264 PolarHBondContact O-OG 3.27Å
252M98Very high96.6Very high14 Ų1454.3 Ų54.37%0.06928%0.279CS..EExtended strand (participates in β ladder)trans-73.2141.4175.4-70.8-178.1-170.700111F131 L191 L227 D229 V230 F254 L260 F263F131-M252 HydrophobicContact CE2-CE 3.94Å; F131-M252 HydrophobicContact CZ-CE 3.93Å; L191-M252 HydrophobicContact CD1-CE 4.31Å; L191-M252 HydrophobicContact CD1-SD 4.49Å; L191-M252 HydrophobicContact CD2-CE 4.37Å; L191-M252 HydrophobicContact CD2-SD 3.72Å; L227-M252 HydrophobicContact CB-CE 4.46Å; L227-M252 HydrophobicContact CD1-CE 3.8Å; L227-M252 HydrophobicContact CD2-CE 4.24Å; L227-M252 HydrophobicContact CG-CE 4.43Å; D229-M252 HydrophobicContact CB-CG 4.47Å; D229-M252 HydrophobicContact CB-SD 4.34Å; D229-M252 WeakPolarHBondContact OD2-CB 3.48Å; D229-M252 PolarHBondContact OD2-N 2.65Å; V230-M252 HydrophobicContact CG2-CE 4.34Å; M252-F254 HydrophobicContact CB-CD2 4.13Å; M252-F254 HydrophobicContact CB-CE2 3.41Å; M252-F254 VanDerWaalsContact CB-CE2 3.41Å; M252-F254 HydrophobicContact CB-CZ 3.72Å; M252-F254 HydrophobicContact CG-CE2 4.39Å; M252-F254 HydrophobicContact CG-CZ 4.28Å; M252-F254 HydrophobicContact SD-CE1 4.49Å; M252-F254 HydrophobicContact SD-CE2 4.22Å; M252-F254 HydrophobicContact SD-CZ 3.62Å; M252-L260 HydrophobicContact CB-CD1 3.57Å; M252-L260 HydrophobicContact CG-CD1 3.76Å; M252-L260 HydrophobicContact SD-CD1 4.23Å; M252-L260 HydrophobicContact SD-CD2 4.38Å; M252-F263 HydrophobicContact CB-CE1 4.48Å; M252-F263 HydrophobicContact CE-CE1 4.28Å; M252-F263 HydrophobicContact CG-CD1 4.08Å; M252-F263 HydrophobicContact CG-CE1 3.51Å; M252-F263 HydrophobicContact CG-CZ 4.22Å
253Q97.8Very high96.6Very high95 Ų9553.8 Ų53.844%0.44428%0.276SS..EExtended strand (participates in β ladder)trans-107113.4171.7-65.1-177.8-9.600109.2I261 G262 F263Q253-I261 HydrophobicContact CB-CG1 4.47Å; Q253-I261 WeakPolarHBondContact O-CG1 3.33Å; Q253-I261 PolarHBondContact O-N 2.88Å; Q253-G262 PolarHBondContact N-O 3.37Å; Q253-G262 PolarHBondContact O-N 2.9Å; Q253-F263 PolarHBondContact NE2-O 3.32Å
254F97.4Very high96.4Very high41 Ų4147 Ų4718%0.1824%0.242CC..EExtended strand (participates in β ladder)trans-100.4142.5176.4-60.9-85.5000110.4K188 L191 M252 G258 K259 L260K188-F254 HydrophobicContact CB-CD1 3.8Å; K188-F254 HydrophobicContact CB-CD2 4.33Å; K188-F254 HydrophobicContact CB-CE1 3.88Å; K188-F254 HydrophobicContact CB-CE2 4.38Å; K188-F254 HydrophobicContact CB-CG 4.03Å; K188-F254 HydrophobicContact CB-CZ 4.17Å; K188-F254 HydrophobicContact CD-CD2 4.11Å; K188-F254 HydrophobicContact CD-CE2 4.46Å; K188-F254 HydrophobicContact CD-CG 4.35Å; K188-F254 HydrophobicContact CG-CD2 4.27Å; K188-F254 HydrophobicContact CG-CE2 4.21Å; K188-F254 HydrophobicContact CG-CG 4.45Å; K188-F254 HydrophobicContact CG-CZ 4.36Å; L191-F254 HydrophobicContact CD2-CZ 4.12Å; M252-F254 HydrophobicContact CB-CD2 4.13Å; M252-F254 HydrophobicContact CB-CE2 3.41Å; M252-F254 VanDerWaalsContact CB-CE2 3.41Å; M252-F254 HydrophobicContact CB-CZ 3.72Å; M252-F254 HydrophobicContact CG-CE2 4.39Å; M252-F254 HydrophobicContact CG-CZ 4.28Å; M252-F254 HydrophobicContact SD-CE1 4.49Å; M252-F254 HydrophobicContact SD-CE2 4.22Å; M252-F254 HydrophobicContact SD-CZ 3.62Å; F254-G258 VanDerWaalsContact CD1-O 3.28Å; F254-G258 WeakPolarHBondContact CD1-O 3.17Å; F254-K259 WeakPolarHBondContact CA-O 3.43Å; F254-L260 HydrophobicContact CD1-CB 4.12Å; F254-L260 HydrophobicContact CE1-CB 3.91Å; F254-L260 HydrophobicContact CE1-CD1 4.3Å; F254-L260 HydrophobicContact CZ-CD1 4.48Å
255N97.4Very high96.1Very high48 Ų4850.6 Ų50.626%0.25727%0.269SS..  trans-78.6178170.168.320.3000111.8N257 G258 K259 I261N255-N257 PolarHBondContact O-N 3.03Å; N255-N257 VanDerWaalsContact O-N 3.1Å; N255-N257 WeakPolarHBondContact OD1-CA 3.29Å; N255-N257 WeakPolarHBondContact OD1-CB 3.42Å; N255-N257 PolarHBondContact OD1-N 2.89Å; N255-G258 WeakPolarHBondContact O-CA 3.32Å; N255-G258 PolarHBondContact O-N 2.79Å; N255-G258 PolarHBondContact OD1-N 3.47Å; N255-K259 PolarHBondContact N-O 2.94Å; N255-K259 PolarHBondContact OD1-N 3.48Å; N255-K259 PolarHBondContact OD1-O 3.14Å; N255-I261 HydrophobicContact CB-CD1 4.06Å; N255-I261 HydrophobicContact CB-CG1 4.39Å; N255-I261 HydrophobicContact CB-CG2 4.01Å
256D96.5Very high95.9Very high175 Ų17553.5 Ų53.594%0.93629%0.289SS*.THydrogen-bonded Turntrans-59.9-22.6-179.3-61.9-24.9000114.1G258D256-G258 VanDerWaalsContact C-N 3.29Å
257N95.6Very high95.9Very high139 Ų13951.2 Ų51.274%0.74328%0.281SS*.THydrogen-bonded Turntrans-86.60.7175.8-60.7-44.3000112.7N255 K259N255-N257 PolarHBondContact O-N 3.03Å; N255-N257 VanDerWaalsContact O-N 3.1Å; N255-N257 WeakPolarHBondContact OD1-CA 3.29Å; N255-N257 WeakPolarHBondContact OD1-CB 3.42Å; N255-N257 PolarHBondContact OD1-N 2.89Å; N257-K259 VanDerWaalsContact C-N 3.33Å
258G95.7Very high95.9Very high17 Ų1751.1 Ų51.118%0.17528%0.28CS..SBendtrans78.910-177.900000114.7Q187 K188 F254 N255 D256Q187-G258 CarbonylContact C-O 3.55Å; Q187-G258 WeakPolarHBondContact CA-O 3.41Å; Q187-G258 PolarHBondContact OE1-O 3.49Å; K188-G258 PolarHBondContact N-O 3.48Å; F254-G258 VanDerWaalsContact CD1-O 3.28Å; F254-G258 WeakPolarHBondContact CD1-O 3.17Å; N255-G258 WeakPolarHBondContact O-CA 3.32Å; N255-G258 PolarHBondContact O-N 2.79Å; N255-G258 PolarHBondContact OD1-N 3.47Å; D256-G258 VanDerWaalsContact C-N 3.29Å
259K96.6Very high95.8Very high93 Ų9350.3 Ų50.340%0.40428%0.275SS..BIsolated β-bridgetrans-84.7135176.4-176.3-178.1177.4-177.50110.4F254 N255 N257 I261F254-K259 WeakPolarHBondContact CA-O 3.43Å; N255-K259 PolarHBondContact N-O 2.94Å; N255-K259 PolarHBondContact OD1-N 3.48Å; N255-K259 PolarHBondContact OD1-O 3.14Å; N257-K259 VanDerWaalsContact C-N 3.33Å; K259-I261 PolarHBondContact O-N 2.91Å
260L97.2Very high95.7Very high0 Ų050.6 Ų50.60%028%0.277CS..EExtended strand (participates in β ladder)trans-61.8127.8171.9-179.563.5000110.6I181 I182 I186 M252 F254 G262 F263I181-L260 HydrophobicContact CG2-CD2 3.62Å; I182-L260 HydrophobicContact CG1-CD2 4.2Å; I182-L260 HydrophobicContact CG1-CG 4.07Å; I186-L260 HydrophobicContact CB-CB 4.15Å; I186-L260 HydrophobicContact CB-CD2 4.21Å; I186-L260 HydrophobicContact CG1-CD2 4.38Å; I186-L260 WeakPolarHBondContact O-CB 3.07Å; I186-L260 PolarHBondContact O-N 2.88Å; M252-L260 HydrophobicContact CB-CD1 3.57Å; M252-L260 HydrophobicContact CG-CD1 3.76Å; M252-L260 HydrophobicContact SD-CD1 4.23Å; M252-L260 HydrophobicContact SD-CD2 4.38Å; F254-L260 HydrophobicContact CD1-CB 4.12Å; F254-L260 HydrophobicContact CE1-CB 3.91Å; F254-L260 HydrophobicContact CE1-CD1 4.3Å; F254-L260 HydrophobicContact CZ-CD1 4.48Å; L260-G262 VanDerWaalsContact CD1-O 3.3Å; L260-G262 WeakPolarHBondContact CD1-O 3.18Å; L260-F263 HydrophobicContact CD2-CE2 4.37Å; L260-F263 HydrophobicContact CD2-CZ 4.08Å
261I97.7Very high95.4Very high95 Ų9552.3 Ų52.349%0.48728%0.284SS..EExtended strand (participates in β ladder)trans-127.6-9.5-178.956.6160.3000113.9Q253 N255 K259Q253-I261 HydrophobicContact CB-CG1 4.47Å; Q253-I261 WeakPolarHBondContact O-CG1 3.33Å; Q253-I261 PolarHBondContact O-N 2.88Å; N255-I261 HydrophobicContact CB-CD1 4.06Å; N255-I261 HydrophobicContact CB-CG1 4.39Å; N255-I261 HydrophobicContact CB-CG2 4.01Å; K259-I261 PolarHBondContact O-N 2.91Å
262G97.8Very high95.2Very high10 Ų1051.1 Ų51.110%0.10328%0.281CS..EExtended strand (participates in β ladder)trans178.1-174.8-175.800000112.6Q253 L260Q253-G262 PolarHBondContact N-O 3.37Å; Q253-G262 PolarHBondContact O-N 2.9Å; L260-G262 VanDerWaalsContact CD1-O 3.3Å; L260-G262 WeakPolarHBondContact CD1-O 3.18Å
263F97.3Very high94.9Very high17 Ų1750.6 Ų50.68%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-130.4157.1174.3-68.4-93.2000110.6H178 I181 I182 L227 F251 M252 Q253 L260H178-F263 HydrophobicContact CB-CD2 3.43Å; H178-F263 VanDerWaalsContact CB-CD2 3.43Å; H178-F263 HydrophobicContact CB-CE2 3.46Å; H178-F263 VanDerWaalsContact CB-CE2 3.46Å; H178-F263 HydrophobicContact CB-CG 4.34Å; H178-F263 HydrophobicContact CB-CZ 4.4Å; H178-F263 AromaticContact CD2-CD2 3.87Å; H178-F263 AromaticContact CD2-CE2 3.82Å; H178-F263 AromaticContact CD2-CZ 3.98Å; H178-F263 AromaticContact CE1-CG 3.74Å; H178-F263 AromaticContact CG-CD2 3.29Å; H178-F263 AromaticContact CG-CE2 3.53Å; H178-F263 AromaticContact CG-CG 3.72Å; H178-F263 AromaticContact ND1-CD2 3.46Å; H178-F263 WeakPolarHBondContact ND1-CD2 3.3Å; H178-F263 AromaticContact ND1-CG 3.49Å; H178-F263 WeakPolarHBondContact ND1-CG 3.49Å; I181-F263 HydrophobicContact CB-CZ 4.34Å; I181-F263 HydrophobicContact CG2-CZ 4.16Å; I182-F263 HydrophobicContact CD1-CD2 4.06Å; I182-F263 HydrophobicContact CD1-CE2 4.01Å; I182-F263 HydrophobicContact CG1-CD2 4.37Å; I182-F263 HydrophobicContact CG1-CE2 3.89Å; L227-F263 HydrophobicContact CD2-CD1 4.21Å; L227-F263 HydrophobicContact CD2-CE1 3.48Å; L227-F263 VanDerWaalsContact CD2-CE1 3.48Å; L227-F263 HydrophobicContact CD2-CZ 4.22Å; F251-F263 CarbonylContact O-C 3.53Å; F251-F263 VanDerWaalsContact O-CA 3.26Å; F251-F263 WeakPolarHBondContact O-CA 3.25Å; M252-F263 HydrophobicContact CB-CE1 4.48Å; M252-F263 HydrophobicContact CE-CE1 4.28Å; M252-F263 HydrophobicContact CG-CD1 4.08Å; M252-F263 HydrophobicContact CG-CE1 3.51Å; M252-F263 HydrophobicContact CG-CZ 4.22Å; Q253-F263 PolarHBondContact NE2-O 3.32Å; L260-F263 HydrophobicContact CD2-CE2 4.37Å; L260-F263 HydrophobicContact CD2-CZ 4.08Å
264S92.5Very high94.6Very high31 Ų3148.1 Ų48.122%0.21727%0.269CS..  trans-59.1143.6172.759.20000111.5F251F251-S264 PolarHBondContact N-OG 2.86Å; F251-S264 PolarHBondContact O-N 2.86Å; F251-S264 PolarHBondContact O-OG 3.27Å
265S90.3Very high93.9Very high103 Ų10346.1 Ų46.172%0.7226%0.261SS*.SBendtrans-112.4152.1173.5-56.70000111.5
266P92.1Very high92.8Very high68 Ų6846.6 Ų46.644%0.44228%0.277SS..SBendcis-70.5159.3-5.431.9-37000112.2I268 I279P266-I268 PolarHBondContact O-N 3.4Å; P266-I279 VanDerWaalsContact CD-CD1 3.43Å; P266-I279 HydrophobicContact CG-CD1 4.42Å
267I94.3Very high91.9Very high23 Ų2340.2 Ų40.212%0.11825%0.246CC..PPolyproline II helixtrans-62.8132.6171.2-69.9172.9000109L171 W174 E175 N250 N272L171-I267 HydrophobicContact CD2-CB 4.36Å; L171-I267 HydrophobicContact CD2-CG2 4.45Å; W174-I267 HydrophobicContact CB-CD1 4.41Å; W174-I267 HydrophobicContact CB-CG2 3.52Å; W174-I267 HydrophobicContact CG-CG2 3.82Å; E175-I267 HydrophobicContact CB-CD1 4.47Å; E175-I267 HydrophobicContact CG-CD1 3.43Å; E175-I267 VanDerWaalsContact CG-CD1 3.43Å; N250-I267 WeakPolarHBondContact OD1-CA 3.34Å; I267-N272 PolarHBondContact O-ND2 3.44Å
268I94.4Very high91.1Very high17 Ų1734.1 Ų34.19%0.08721%0.213CC..PPolyproline II helixtrans-97123.7171.9-60.7160.7000108.2W174 F223 A225 V248 N250 P266 N272 K273W174-I268 PolarHBondContact NE1-O 3.07Å; F223-I268 HydrophobicContact CE2-CD1 4.02Å; F223-I268 HydrophobicContact CE2-CG1 4.41Å; F223-I268 HydrophobicContact CE2-CG2 3.87Å; A225-I268 HydrophobicContact CB-CG2 4.27Å; V248-I268 HydrophobicContact CG1-CD1 3.77Å; N250-I268 PolarHBondContact ND2-O 2.92Å; N250-I268 PolarHBondContact OD1-N 3.32Å; P266-I268 PolarHBondContact O-N 3.4Å; I268-N272 WeakPolarHBondContact CA-OD1 3.46Å; I268-K273 HydrophobicContact CG2-CG 3.87Å
269H94.3Very high89.6Confident4 Ų438.1 Ų38.12%0.01923%0.229CC..  trans-130.9169.6175.164.479.3000109.8M170 W174 F271 N272 K273M170-H269 HydrophobicContact CB-CB 3.98Å; W174-H269 HydrophobicContact CD2-CB 4.21Å; W174-H269 HydrophobicContact CE3-CB 4.27Å; W174-H269 HydrophobicContact CH2-CB 4.42Å; W174-H269 HydrophobicContact CZ2-CB 4.39Å; W174-H269 HydrophobicContact CZ3-CB 4.34Å; H269-F271 VanDerWaalsContact C-N 3.27Å; H269-F271 PolarHBondContact ND1-N 3.49Å; H269-F271 PolarHBondContact O-N 2.79Å; H269-N272 PolarHBondContact CD2-ND2 3.27Å; H269-N272 VanDerWaalsContact CD2-ND2 3.34Å; H269-N272 PolarHBondContact N-OD1 3.09Å; H269-N272 PolarHBondContact NE2-ND2 2.87Å; H269-N272 PolarHBondContact O-N 2.98Å; H269-N272 PolarHBondContact O-OD1 3.45Å; H269-K273 WeakPolarHBondContact O-CG 3.36Å
270V92.7Very high88Confident10 Ų1039.7 Ų39.76%0.06124%0.242CC..G310 helixtrans-51.9-37.5-171.764.50000115E156 M170 S295E156-V270 HydrophobicContact CG-CG1 3.94Å; M170-V270 HydrophobicContact CG-CG1 4.43Å; M170-V270 HydrophobicContact SD-CG1 4.28Å; V270-S295 WeakPolarHBondContact CG2-OG 3.44Å
271F91.5Very high86.3Confident36 Ų3646.4 Ų46.416%0.15828%0.278CS..G310 helixtrans-88.6-0.6-178.2-48.5-58.8000116.2E156 E163 K166 M170 H269E156-F271 HydrophobicContact CG-CZ 4.19Å; E163-F271 HydrophobicContact CB-CB 4.46Å; E163-F271 HydrophobicContact CB-CD1 4.1Å; E163-F271 HydrophobicContact CB-CG 4.23Å; E163-F271 HydrophobicContact CG-CD1 3.76Å; E163-F271 HydrophobicContact CG-CE1 4.11Å; E163-F271 HydrophobicContact CG-CG 4.4Å; K166-F271 HydrophobicContact CB-CD2 4.06Å; K166-F271 HydrophobicContact CB-CE2 3.45Å; K166-F271 VanDerWaalsContact CB-CE2 3.45Å; K166-F271 HydrophobicContact CB-CZ 4.11Å; K166-F271 HydrophobicContact CD-CE1 4.4Å; K166-F271 HydrophobicContact CD-CE2 3.75Å; K166-F271 HydrophobicContact CD-CZ 3.5Å; K166-F271 VanDerWaalsContact CD-CZ 3.5Å; K166-F271 HydrophobicContact CG-CE2 4.28Å; K166-F271 HydrophobicContact CG-CZ 4.49Å; M170-F271 HydrophobicContact CG-CD2 3.63Å; M170-F271 HydrophobicContact CG-CE2 3.48Å; M170-F271 VanDerWaalsContact CG-CE2 3.48Å; M170-F271 HydrophobicContact SD-CE2 4.02Å; H269-F271 VanDerWaalsContact C-N 3.27Å; H269-F271 PolarHBondContact ND1-N 3.49Å; H269-F271 PolarHBondContact O-N 2.79Å
272N91.8Very high84.8Confident37 Ų3743.4 Ų43.420%0.19827%0.266CS..G310 helixtrans-117.712.3177.679-0.7000113.9I267 I268 H269 T274 S277I267-N272 PolarHBondContact O-ND2 3.44Å; I268-N272 WeakPolarHBondContact CA-OD1 3.46Å; H269-N272 PolarHBondContact CD2-ND2 3.27Å; H269-N272 VanDerWaalsContact CD2-ND2 3.34Å; H269-N272 PolarHBondContact N-OD1 3.09Å; H269-N272 PolarHBondContact NE2-ND2 2.87Å; H269-N272 PolarHBondContact O-N 2.98Å; H269-N272 PolarHBondContact O-OD1 3.45Å; N272-T274 VanDerWaalsContact C-N 3.29Å; N272-T274 PolarHBondContact O-N 3.2Å; N272-S277 VanDerWaalsContact O-CB 3.31Å; N272-S277 WeakPolarHBondContact O-CB 3.33Å; N272-S277 PolarHBondContact O-OG 3.13Å
273K92Very high83.6Confident3 Ų345.8 Ų45.81%0.01328%0.276CS..  trans-75.676.4176.8-62.4-178.669.2-171.30111.3D109 F223 A225 I268 H269 D298 H300 M301D109-K273 VanDerWaalsContact CG-NZ 3.32Å; D109-K273 IonicContact OD1-NZ 2.8Å; D109-K273 PolarHBondContact OD1-NZ 3.47Å; F223-K273 HydrophobicContact CD1-CB 4.37Å; F223-K273 VanDerWaalsContact CE1-C 3.49Å; F223-K273 HydrophobicContact CE1-CB 3.97Å; F223-K273 HydrophobicContact CE2-CG 4.47Å; F223-K273 HydrophobicContact CZ-CB 4.07Å; F223-K273 HydrophobicContact CZ-CG 4.46Å; F223-K273 WeakPolarHBondContact O-CE 3.4Å; F223-K273 PolarHBondContact O-NZ 3.33Å; A225-K273 HydrophobicContact CB-CD 4.36Å; I268-K273 HydrophobicContact CG2-CG 3.87Å; H269-K273 WeakPolarHBondContact O-CG 3.36Å; K273-D298 WeakPolarHBondContact CE-OD1 3.34Å; K273-D298 IonicContact NZ-OD1 3.95Å; K273-D298 PolarHBondContact NZ-OD1 3.06Å; K273-H300 CarbonylContact O-C 3.28Å; K273-H300 VanDerWaalsContact O-C 3.27Å; K273-M301 HydrophobicContact CB-CG 3.93Å; K273-M301 VanDerWaalsContact CE-SD 3.51Å; K273-M301 PolarHBondContact NZ-SD 2.98Å; K273-M301 VanDerWaalsContact NZ-SD 3.37Å; K273-M301 WeakPolarHBondContact O-CA 3.3Å; K273-M301 PolarHBondContact O-N 3.44Å
274T90.9Very high82.5Confident43 Ų4345.2 Ų45.226%0.26427%0.273SS..  trans-120.2150.3173.766.40000109.8F223 N272 G276 S277 H300F223-T274 WeakPolarHBondContact CE1-O 3.29Å; N272-T274 VanDerWaalsContact C-N 3.29Å; N272-T274 PolarHBondContact O-N 3.2Å; T274-G276 PolarHBondContact O-N 2.8Å; T274-S277 PolarHBondContact N-OG 3.23Å; T274-S277 PolarHBondContact O-N 2.92Å; T274-S277 PolarHBondContact O-OG 2.6Å; T274-S277 PolarHBondContact OG1-N 3.47Å; T274-S277 VanDerWaalsContact OG1-N 3.16Å; T274-H300 WeakPolarHBondContact CA-O 3.19Å; T274-H300 HydrophobicContact CG2-CB 4.18Å
275A82.9Confident81.9Confident0 Ų051.2 Ų51.20%030%0.296CS..G310 helixtrans-60.9-29.5175.900000111.6S277 I278 I283 M301 D303 A305A275-S277 VanDerWaalsContact C-N 3.3Å; A275-S277 PolarHBondContact O-N 2.9Å; A275-I278 PolarHBondContact O-N 3.23Å; A275-I283 HydrophobicContact CB-CG2 4.14Å; A275-M301 WeakPolarHBondContact CB-O 3.47Å; A275-M301 PolarHBondContact N-O 3Å; A275-D303 WeakPolarHBondContact CB-O 3.41Å; A275-D303 PolarHBondContact N-O 2.99Å; A275-A305 HydrophobicContact CB-CB 3.53Å
276G74.8Confident81.9Confident58 Ų5848.6 Ų48.660%0.59827%0.27SS*.G310 helixtrans-67-20.9173.100000115.4T274 D303T274-G276 PolarHBondContact O-N 2.8Å; G276-D303 PolarHBondContact N-O 3.34Å
277S77.3Confident81.9Confident40 Ų4047.4 Ų47.428%0.2826%0.262SS..G310 helixtrans-84.8-12.9175.669.80000113.2N272 T274 A275 I279N272-S277 VanDerWaalsContact O-CB 3.31Å; N272-S277 WeakPolarHBondContact O-CB 3.33Å; N272-S277 PolarHBondContact O-OG 3.13Å; T274-S277 PolarHBondContact N-OG 3.23Å; T274-S277 PolarHBondContact O-N 2.92Å; T274-S277 PolarHBondContact O-OG 2.6Å; T274-S277 PolarHBondContact OG1-N 3.47Å; T274-S277 VanDerWaalsContact OG1-N 3.16Å; A275-S277 VanDerWaalsContact C-N 3.3Å; A275-S277 PolarHBondContact O-N 2.9Å; S277-I279 PolarHBondContact O-N 3.24Å
278I78.7Confident82Confident12 Ų1246.4 Ų46.46%0.06226%0.257CS..SBendtrans-74.1113.6178.4-52.4179.6000109.1L221 F223 V248 A275 S282L221-I278 HydrophobicContact CD2-CD1 3.67Å; F223-I278 HydrophobicContact CD1-CD1 3.97Å; F223-I278 HydrophobicContact CD1-CG1 4.48Å; F223-I278 HydrophobicContact CE1-CD1 3.79Å; F223-I278 HydrophobicContact CE1-CG1 3.84Å; F223-I278 HydrophobicContact CE2-CG1 4.23Å; F223-I278 HydrophobicContact CG-CD1 4.41Å; F223-I278 HydrophobicContact CZ-CD1 4.08Å; F223-I278 HydrophobicContact CZ-CG1 3.68Å; V248-I278 HydrophobicContact CG1-CD1 4.5Å; V248-I278 HydrophobicContact CG1-CG1 4.21Å; V248-I278 HydrophobicContact CG1-CG2 4.15Å; V248-I278 HydrophobicContact CG2-CD1 4.47Å; V248-I278 HydrophobicContact CG2-CG2 3.9Å; A275-I278 PolarHBondContact O-N 3.23Å; I278-S282 VanDerWaalsContact CG2-CB 3.49Å
279I63.8Low82.1Confident100 Ų10045.6 Ų45.651%0.51325%0.253SS..  trans-68140.1172.1-54.9178.6000108.7P266 S277P266-I279 VanDerWaalsContact CD-CD1 3.43Å; P266-I279 HydrophobicContact CG-CD1 4.42Å; S277-I279 PolarHBondContact O-N 3.24Å
280N63.9Low82.2Confident127 Ų12745.5 Ų45.568%0.67925%0.252SS*.SBendtrans82.4179.6177.2-48.6-54.5000115.7S282N280-S282 PolarHBondContact O-N 2.75Å
281N61.2Low82.5Confident141 Ų14145 Ų4575%0.75425%0.249SC*.THydrogen-bonded Turntrans-65.422-178.5-69.8-42.7000114.9I283N281-I283 VanDerWaalsContact C-N 3.35Å
282S65.9Low82.8Confident32 Ų3243.3 Ų43.322%0.22424%0.242CC..THydrogen-bonded Turntrans-88.4-3.9-176.2-67.30000113.3R246 I278 N280R246-S282 VanDerWaalsContact NH1-C 3.33Å; R246-S282 VanDerWaalsContact NH1-CB 3.33Å; R246-S282 PolarHBondContact NH1-O 3.16Å; R246-S282 PolarHBondContact NH2-O 3.2Å; I278-S282 VanDerWaalsContact CG2-CB 3.49Å; N280-S282 PolarHBondContact O-N 2.75Å
283I73.2Confident83.1Confident60 Ų6041.5 Ų41.531%0.30823%0.233SC..SBendtrans-59.9133.7173.6-55.1179.9000108.9A275 N281 K285 A305A275-I283 HydrophobicContact CB-CG2 4.14Å; N281-I283 VanDerWaalsContact C-N 3.35Å; I283-K285 WeakPolarHBondContact O-CG 3.47Å; I283-K285 PolarHBondContact O-N 2.82Å; I283-A305 HydrophobicContact CG2-CB 3.59Å
284P73.5Confident83.4Confident4 Ų442.9 Ų42.93%0.02624%0.24CC..  trans-49.5136169.7-20.825.8000111.3E105 I107 L221 A305E105-P284 HydrophobicContact CG-CB 4.21Å; E105-P284 WeakPolarHBondContact OE1-CA 3.21Å; E105-P284 VanDerWaalsContact OE2-CA 3.26Å; E105-P284 WeakPolarHBondContact OE2-CA 3.34Å; E105-P284 WeakPolarHBondContact OE2-CB 3.44Å; I107-P284 HydrophobicContact CD1-CB 4.1Å; I107-P284 HydrophobicContact CD1-CG 3.33Å; I107-P284 HydrophobicContact CG1-CG 3.9Å; L221-P284 HydrophobicContact CD2-CG 4.01Å; P284-A305 HydrophobicContact CB-CB 3.81Å; P284-A305 HydrophobicContact CG-CB 3.81Å
285K80.6Confident83.6Confident158 Ų15841.3 Ų41.369%0.68723%0.231SC*.  trans-112.3-10.3-173-60.4-174.1-176.7173.60112.9E105 I283E105-K285 PolarHBondContact OE2-N 3.48Å; I283-K285 WeakPolarHBondContact O-CG 3.47Å; I283-K285 PolarHBondContact O-N 2.82Å
286R91Very high84Confident48 Ų4842.8 Ų42.818%0.18124%0.24CC..SBendtrans-94.9140-178.2-64.3-175.7173.9-175.52.4109.9K101 D102 K103 L104 E105 H217 N288K101-R286 PolarHBondContact O-NH1 2.96Å; D102-R286 PolarHBondContact O-NE 3.43Å; K103-R286 WeakPolarHBondContact O-CB 3.27Å; L104-R286 VanDerWaalsContact C-CD 3.41Å; L104-R286 WeakPolarHBondContact O-CD 3.48Å; L104-R286 PolarHBondContact O-NH1 3.27Å; E105-R286 HydrophobicContact CB-CB 3.82Å; E105-R286 HydrophobicContact CB-CG 4.27Å; E105-R286 PolarHBondContact OE2-N 2.74Å; H217-R286 PolarHBondContact O-NH2 2.89Å; H217-R286 VanDerWaalsContact O-NH2 3.09Å; R286-N288 PolarHBondContact O-N 3.43Å
287P92.2Very high84.8Confident43 Ų4340.1 Ų40.128%0.27921%0.213SC..SBendtrans-70.1-23-172.629.2-36.6000112.5K103 T306 L314 G315 T316K103-P287 HydrophobicContact CB-CG 4.01Å; K103-P287 HydrophobicContact CD-CG 4.2Å; K103-P287 HydrophobicContact CG-CG 4.21Å; P287-T306 PolarHBondContact O-OG1 3.22Å; P287-L314 WeakPolarHBondContact CB-O 3.36Å; P287-G315 WeakPolarHBondContact O-CA 3.32Å; P287-T316 PolarHBondContact O-N 3.44Å
288N95.3Very high85.7Confident2 Ų238.3 Ų38.31%0.01120%0.2CC..EExtended strand (participates in β ladder)trans-109.6131.3-179.1-52.8-42.1000111.1L96 S99 K103 L104 E105 R286 T316L96-N288 HydrophobicContact CD2-CB 3.47Å; L96-N288 VanDerWaalsContact CD2-CB 3.47Å; S99-N288 WeakPolarHBondContact CB-ND2 3.25Å; S99-N288 PolarHBondContact OG-ND2 2.88Å; K103-N288 VanDerWaalsContact O-CB 3.26Å; K103-N288 WeakPolarHBondContact O-CB 3.4Å; K103-N288 PolarHBondContact O-N 2.98Å; L104-N288 CarbonylContact C-O 3.57Å; L104-N288 WeakPolarHBondContact CA-O 3.46Å; E105-N288 PolarHBondContact N-O 3.18Å; R286-N288 PolarHBondContact O-N 3.43Å; N288-T316 CarbonylContact C-O 3.17Å; N288-T316 VanDerWaalsContact CA-O 3.31Å; N288-T316 WeakPolarHBondContact CA-O 3.37Å; N288-T316 HydrophobicContact CB-CG2 4.37Å; N288-T316 PolarHBondContact OD1-N 3.39Å
289V95.9Very high86.5Confident0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-124.3132.1-176.41740000110.3E105 I107 L291 A302 T306 T316 V317 L318E105-V289 VanDerWaalsContact O-CA 3.29Å; E105-V289 WeakPolarHBondContact O-CA 3.09Å; I107-V289 HydrophobicContact CB-CG1 4.2Å; I107-V289 HydrophobicContact CD1-CG1 3.69Å; I107-V289 HydrophobicContact CD1-CG2 4.18Å; I107-V289 HydrophobicContact CG1-CG1 3.75Å; V289-L291 HydrophobicContact CG1-CB 4.1Å; V289-A302 HydrophobicContact CG1-CB 4.4Å; V289-T306 HydrophobicContact CB-CG2 4.4Å; V289-T306 HydrophobicContact CG2-CG2 3.77Å; V289-T316 PolarHBondContact N-O 2.99Å; V289-V317 HydrophobicContact CB-CG1 4.28Å; V289-V317 HydrophobicContact CB-CG2 4.34Å; V289-V317 HydrophobicContact CG1-CG1 4.27Å; V289-V317 CarbonylContact O-C 3.55Å; V289-V317 WeakPolarHBondContact O-CA 3.29Å; V289-L318 PolarHBondContact O-N 3.06Å
290L97.8Very high88Confident1 Ų136.3 Ų36.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-93.2114.3155.7176.361.8000107.4L104 E105 I106 I107 F209 L292 L318 I320 I355L104-L290 HydrophobicContact CD1-CB 4.41Å; E105-L290 PolarHBondContact O-N 2.65Å; I106-L290 WeakPolarHBondContact CA-O 3.46Å; I106-L290 HydrophobicContact CD1-CB 3.72Å; I106-L290 HydrophobicContact CD1-CD2 4.13Å; I106-L290 HydrophobicContact CD1-CG 4.42Å; I107-L290 PolarHBondContact N-O 2.64Å; F209-L290 HydrophobicContact CE2-CD2 4.3Å; F209-L290 HydrophobicContact CZ-CD2 4.28Å; L290-L292 HydrophobicContact CD1-CD2 4.14Å; L290-L292 HydrophobicContact CD2-CD2 4.38Å; L290-L292 HydrophobicContact CG-CD2 4.05Å; L290-L292 HydrophobicContact CG-CG 4.4Å; L290-L318 HydrophobicContact CD1-CB 4.26Å; L290-L318 HydrophobicContact CD1-CD2 4.08Å; L290-L318 HydrophobicContact CD1-CG 4.15Å; L290-I320 HydrophobicContact CD1-CD1 3.78Å; L290-I320 HydrophobicContact CD1-CG1 3.97Å; L290-I355 HydrophobicContact CD2-CD1 3.84Å; L290-I355 HydrophobicContact CD2-CG1 4.19Å
291L98.1Very high89.4Confident0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-104.5127-178.4-173.9155000109.3I107 V289 D298 M301 A302 V317 L318 R319 I320 Y338I107-L291 CarbonylContact O-C 3.48Å; I107-L291 VanDerWaalsContact O-CA 3.28Å; I107-L291 WeakPolarHBondContact O-CA 3.49Å; V289-L291 HydrophobicContact CG1-CB 4.1Å; L291-D298 WeakPolarHBondContact CD1-O 3.43Å; L291-D298 WeakPolarHBondContact CD2-O 3.46Å; L291-M301 HydrophobicContact CD1-CB 4.07Å; L291-M301 HydrophobicContact CD2-CE 4.09Å; L291-M301 HydrophobicContact CG-CE 4.09Å; L291-A302 HydrophobicContact CD1-CB 3.97Å; L291-V317 HydrophobicContact CB-CG1 3.84Å; L291-V317 HydrophobicContact CD1-CG1 4.13Å; L291-L318 PolarHBondContact N-O 3.44Å; L291-R319 HydrophobicContact CB-CG 4.24Å; L291-R319 HydrophobicContact CD2-CB 4.48Å; L291-R319 HydrophobicContact CD2-CG 4.27Å; L291-R319 CarbonylContact O-C 3.54Å; L291-R319 WeakPolarHBondContact O-CA 3.17Å; L291-I320 PolarHBondContact O-N 2.97Å; L291-Y338 HydrophobicContact CD2-CE1 4.39Å
292L98.8Very high90.9Very high0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-121.7128.6179.7-51.8174.9000109.2I106 I107 T108 D109 T113 F209 L290 M301 I320 F322 F348 P351I106-L292 HydrophobicContact CG2-CD1 4.41Å; I107-L292 PolarHBondContact O-N 3.07Å; T108-L292 CarbonylContact C-O 3.27Å; T108-L292 VanDerWaalsContact CA-O 3.32Å; T108-L292 WeakPolarHBondContact CA-O 3.33Å; D109-L292 PolarHBondContact N-O 2.91Å; T113-L292 HydrophobicContact CG2-CB 3.99Å; F209-L292 HydrophobicContact CE1-CD1 4.22Å; F209-L292 HydrophobicContact CZ-CD1 4.01Å; L290-L292 HydrophobicContact CD1-CD2 4.14Å; L290-L292 HydrophobicContact CD2-CD2 4.38Å; L290-L292 HydrophobicContact CG-CD2 4.05Å; L290-L292 HydrophobicContact CG-CG 4.4Å; L292-M301 VanDerWaalsContact O-CE 3.28Å; L292-M301 WeakPolarHBondContact O-CE 3.31Å; L292-I320 WeakPolarHBondContact CA-O 3.26Å; L292-I320 HydrophobicContact CD2-CB 3.66Å; L292-I320 HydrophobicContact CD2-CD1 3.92Å; L292-I320 HydrophobicContact CD2-CG1 3.99Å; L292-I320 HydrophobicContact CD2-CG2 4.45Å; L292-F322 HydrophobicContact CB-CE2 4.49Å; L292-F348 HydrophobicContact CD1-CE1 3.53Å; L292-F348 HydrophobicContact CD1-CZ 3.85Å; L292-P351 HydrophobicContact CD1-CB 4.46Å; L292-P351 HydrophobicContact CD2-CB 4.35Å; L292-P351 HydrophobicContact CD2-CG 4.11Å
293G98.3Very high92.1Very high0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-160.5166.4178.600000112T113 I320 G321 F322T113-G293 VanDerWaalsContact OG1-C 3.28Å; T113-G293 WeakPolarHBondContact OG1-CA 3.43Å; G293-I320 PolarHBondContact N-O 3.25Å; G293-I320 VanDerWaalsContact N-O 3.17Å; G293-G321 CarbonylContact O-C 3.59Å; G293-G321 VanDerWaalsContact O-CA 3.24Å; G293-G321 WeakPolarHBondContact O-CA 3.25Å; G293-F322 PolarHBondContact O-N 2.88Å
294D97.2Very high92.7Very high31 Ų3125.6 Ų25.617%0.16615%0.146CC..SBendtrans-117.9-1117978-61.4000112.3R112 T113 D298 F322 Y334R112-D294 HydrophobicContact CB-CB 4.27Å; R112-D294 WeakPolarHBondContact CB-OD2 3.39Å; T113-D294 WeakPolarHBondContact OG1-CB 3.37Å; T113-D294 PolarHBondContact OG1-N 3.09Å; T113-D294 PolarHBondContact OG1-OD1 3.33Å; D294-D298 PolarHBondContact N-OD2 2.87Å; D294-D298 VanDerWaalsContact N-OD2 3.11Å; D294-F322 WeakPolarHBondContact CA-O 3.33Å; D294-F322 HydrophobicContact CB-CB 4.03Å; D294-F322 VanDerWaalsContact CB-O 3.31Å; D294-F322 WeakPolarHBondContact CB-O 3.15Å; D294-Y334 WeakPolarHBondContact O-CE1 3.34Å; D294-Y334 VanDerWaalsContact O-CZ 3.27Å; D294-Y334 PolarHBondContact O-OH 3.33Å
295S94.7Very high93.2Very high11 Ų1126.7 Ų26.78%0.07716%0.156CC..SBendtrans-109.8157.3-178.676.70000112.6V270 G297 D298 Y338V270-S295 WeakPolarHBondContact CG2-OG 3.44Å; S295-G297 PolarHBondContact O-N 3.28Å; S295-G297 PolarHBondContact OG-N 3.08Å; S295-D298 WeakPolarHBondContact CB-OD2 3.47Å; S295-D298 PolarHBondContact N-OD2 3.42Å; S295-D298 PolarHBondContact O-N 3.32Å; S295-D298 PolarHBondContact OG-N 2.85Å; S295-D298 PolarHBondContact OG-OD1 3.16Å; S295-D298 PolarHBondContact OG-OD2 2.94Å; S295-Y338 PolarHBondContact O-OH 2.89Å
296P92.1Very high93.4Very high31 Ų3120.1 Ų20.120%0.20113%0.129CC..G310 helixtrans-58-28170.8-27.737.5000114.2D298 V299 Y334 L337P296-D298 VanDerWaalsContact C-N 3.35Å; P296-V299 VanDerWaalsContact O-CG2 3.29Å; P296-V299 WeakPolarHBondContact O-CG2 3.25Å; P296-Y334 HydrophobicContact CG-CE2 4.37Å; P296-L337 HydrophobicContact CB-CD1 3.75Å; P296-L337 HydrophobicContact CG-CD1 4.41Å
297G91.9Very high93.1Very high2 Ų222.8 Ų22.82%0.02115%0.146CC..G310 helixtrans-72.9-25.9-179.500000113.6S295 V299 H300S295-G297 PolarHBondContact O-N 3.28Å; S295-G297 PolarHBondContact OG-N 3.08Å; G297-V299 PolarHBondContact O-N 2.79Å; G297-H300 WeakPolarHBondContact O-CB 3.26Å; G297-H300 PolarHBondContact O-CD2 3.5Å; G297-H300 PolarHBondContact O-N 3.45Å
298D96.3Very high92.9Very high2 Ų223.2 Ų23.21%0.01115%0.146CC..G310 helixtrans-66.8-23.4-175.4-67-40.7000113.6K273 L291 D294 S295 P296 H300 M301K273-D298 WeakPolarHBondContact CE-OD1 3.34Å; K273-D298 IonicContact NZ-OD1 3.95Å; K273-D298 PolarHBondContact NZ-OD1 3.06Å; L291-D298 WeakPolarHBondContact CD1-O 3.43Å; L291-D298 WeakPolarHBondContact CD2-O 3.46Å; D294-D298 PolarHBondContact N-OD2 2.87Å; D294-D298 VanDerWaalsContact N-OD2 3.11Å; S295-D298 WeakPolarHBondContact CB-OD2 3.47Å; S295-D298 PolarHBondContact N-OD2 3.42Å; S295-D298 PolarHBondContact O-N 3.32Å; S295-D298 PolarHBondContact OG-N 2.85Å; S295-D298 PolarHBondContact OG-OD1 3.16Å; S295-D298 PolarHBondContact OG-OD2 2.94Å; P296-D298 VanDerWaalsContact C-N 3.35Å; D298-H300 PolarHBondContact O-N 2.98Å; D298-M301 HydrophobicContact CB-CE 3.76Å; D298-M301 HydrophobicContact CB-SD 4.44Å; D298-M301 WeakPolarHBondContact O-CB 3.41Å; D298-M301 VanDerWaalsContact O-CG 3.28Å; D298-M301 WeakPolarHBondContact O-CG 3.33Å; D298-M301 PolarHBondContact O-N 2.96Å
299V95.4Very high92.5Very high8 Ų824.1 Ų24.15%0.04815%0.15CC..G310 helixtrans-61.1-16.5179.3-56.50000113.5P296 G297 R319 L337 Y338P296-V299 VanDerWaalsContact O-CG2 3.29Å; P296-V299 WeakPolarHBondContact O-CG2 3.25Å; G297-V299 PolarHBondContact O-N 2.79Å; V299-R319 PolarHBondContact O-NE 2.72Å; V299-R319 VanDerWaalsContact O-NE 3.14Å; V299-L337 HydrophobicContact CG1-CB 3.97Å; V299-Y338 HydrophobicContact CG1-CD1 4.08Å; V299-Y338 HydrophobicContact CG1-CD2 4.18Å; V299-Y338 HydrophobicContact CG1-CE1 3.67Å; V299-Y338 HydrophobicContact CG1-CE2 3.78Å; V299-Y338 HydrophobicContact CG1-CG 4.32Å
300H93.9Very high91.8Very high61 Ų6129.4 Ų29.428%0.28219%0.185SC..G310 helixtrans-92.3-4.2179.5-59.6-64.1000114K273 T274 G297 D298 A302 D303K273-H300 CarbonylContact O-C 3.28Å; K273-H300 VanDerWaalsContact O-C 3.27Å; T274-H300 WeakPolarHBondContact CA-O 3.19Å; T274-H300 HydrophobicContact CG2-CB 4.18Å; G297-H300 WeakPolarHBondContact O-CB 3.26Å; G297-H300 PolarHBondContact O-CD2 3.5Å; G297-H300 PolarHBondContact O-N 3.45Å; D298-H300 PolarHBondContact O-N 2.98Å; H300-A302 PolarHBondContact O-N 3.35Å; H300-D303 IonicContact CG-OD2 3.39Å; H300-D303 IonicContact ND1-OD2 2.88Å; H300-D303 PolarHBondContact ND1-OD2 3.42Å; H300-D303 VanDerWaalsContact O-CB 3.24Å; H300-D303 WeakPolarHBondContact O-CB 3.4Å; H300-D303 PolarHBondContact O-N 2.85Å
301M94.8Very high91.1Very high0 Ų033.5 Ų33.50%021%0.21CC..THydrogen-bonded Turntrans-60.3-23.5-177.1-72.2-170.6-63.300114.1I107 D109 F223 K273 A275 L291 L292 D298I107-M301 HydrophobicContact CG2-CB 3.77Å; I107-M301 HydrophobicContact CG2-CE 4.23Å; I107-M301 HydrophobicContact CG2-SD 4.16Å; D109-M301 HydrophobicContact CB-CE 4.4Å; F223-M301 HydrophobicContact CB-SD 3.9Å; F223-M301 HydrophobicContact CD1-CB 4.05Å; F223-M301 HydrophobicContact CD1-CG 3.81Å; F223-M301 HydrophobicContact CD1-SD 4.11Å; F223-M301 HydrophobicContact CE1-CG 4.41Å; F223-M301 HydrophobicContact CG-SD 4.25Å; K273-M301 HydrophobicContact CB-CG 3.93Å; K273-M301 VanDerWaalsContact CE-SD 3.51Å; K273-M301 PolarHBondContact NZ-SD 2.98Å; K273-M301 VanDerWaalsContact NZ-SD 3.37Å; K273-M301 WeakPolarHBondContact O-CA 3.3Å; K273-M301 PolarHBondContact O-N 3.44Å; A275-M301 WeakPolarHBondContact CB-O 3.47Å; A275-M301 PolarHBondContact N-O 3Å; L291-M301 HydrophobicContact CD1-CB 4.07Å; L291-M301 HydrophobicContact CD2-CE 4.09Å; L291-M301 HydrophobicContact CG-CE 4.09Å; L292-M301 VanDerWaalsContact O-CE 3.28Å; L292-M301 WeakPolarHBondContact O-CE 3.31Å; D298-M301 HydrophobicContact CB-CE 3.76Å; D298-M301 HydrophobicContact CB-SD 4.44Å; D298-M301 WeakPolarHBondContact O-CB 3.41Å; D298-M301 VanDerWaalsContact O-CG 3.28Å; D298-M301 WeakPolarHBondContact O-CG 3.33Å; D298-M301 PolarHBondContact O-N 2.96Å
302A93Very high90.3Very high0 Ų034.2 Ų34.20%022%0.218CC..THydrogen-bonded Turntrans-89.6-8.9175.900000113.8I107 V289 L291 H300 G304 A305 T306 V317I107-A302 HydrophobicContact CD1-CB 4.01Å; V289-A302 HydrophobicContact CG1-CB 4.4Å; L291-A302 HydrophobicContact CD1-CB 3.97Å; H300-A302 PolarHBondContact O-N 3.35Å; A302-G304 PolarHBondContact O-N 3.36Å; A302-A305 PolarHBondContact O-N 3.34Å; A302-T306 HydrophobicContact CB-CG2 4.05Å; A302-T306 PolarHBondContact O-N 2.94Å; A302-V317 HydrophobicContact CB-CG1 4.17Å; A302-V317 HydrophobicContact CB-CG2 4.06Å
303D90.9Very high89.4Confident64 Ų6442.4 Ų42.434%0.34226%0.256SS..BIsolated β-bridgetrans-66.1125.8-173.1-68.8-4.8000110.6A275 G276 H300A275-D303 WeakPolarHBondContact CB-O 3.41Å; A275-D303 PolarHBondContact N-O 2.99Å; G276-D303 PolarHBondContact N-O 3.34Å; H300-D303 IonicContact CG-OD2 3.39Å; H300-D303 IonicContact ND1-OD2 2.88Å; H300-D303 PolarHBondContact ND1-OD2 3.42Å; H300-D303 VanDerWaalsContact O-CB 3.24Å; H300-D303 WeakPolarHBondContact O-CB 3.4Å; H300-D303 PolarHBondContact O-N 2.85Å
304G85.3Confident88.9Confident71 Ų7147.6 Ų47.673%0.73228%0.283SS*.THydrogen-bonded Turntrans92.1-15.4-174.800000114.8A302A302-G304 PolarHBondContact O-N 3.36Å
305A84.3Confident88.6Confident28 Ų2846.1 Ų46.123%0.23128%0.275CS..THydrogen-bonded Turntrans-96-38.7175.200000113.2A275 I283 P284 A302A275-A305 HydrophobicContact CB-CB 3.53Å; I283-A305 HydrophobicContact CG2-CB 3.59Å; P284-A305 HydrophobicContact CB-CB 3.81Å; P284-A305 HydrophobicContact CG-CB 3.81Å; A302-A305 PolarHBondContact O-N 3.34Å
306T85.4Confident88.6Confident19 Ų1945.7 Ų45.712%0.11727%0.272CS..BIsolated β-bridgetrans-142.9163.5180-173.70000111.5P287 V289 A302 V317P287-T306 PolarHBondContact O-OG1 3.22Å; V289-T306 HydrophobicContact CB-CG2 4.4Å; V289-T306 HydrophobicContact CG2-CG2 3.77Å; A302-T306 HydrophobicContact CB-CG2 4.05Å; A302-T306 PolarHBondContact O-N 2.94Å; T306-V317 HydrophobicContact CG2-CG2 3.46Å; T306-V317 VanDerWaalsContact CG2-CG2 3.46Å
307I83.5Confident88.8Confident105 Ų10544.3 Ų44.354%0.53826%0.263SS..  trans-109.6125.2175.5-60.8171.1000106.9D309 L314 G315I307-D309 HydrophobicContact CG2-CB 4.35Å; I307-D309 PolarHBondContact O-N 3.39Å; I307-L314 HydrophobicContact CB-CB 4.34Å; I307-L314 HydrophobicContact CD1-CD1 4.05Å; I307-L314 HydrophobicContact CG2-CD1 4.43Å; I307-G315 CarbonylContact O-C 3.55Å
308D88.7Confident89.1Confident51 Ų5144.2 Ų44.227%0.27326%0.262SS..  trans-77.575.7172.6-164.917000109.9K92 P310 T316 V317 R319K92-D308 WeakPolarHBondContact CE-OD1 3.03Å; K92-D308 IonicContact NZ-OD1 3.04Å; K92-D308 IonicContact NZ-OD2 2.65Å; K92-D308 PolarHBondContact NZ-OD2 2.92Å; D308-P310 WeakPolarHBondContact O-CD 3.33Å; D308-T316 WeakPolarHBondContact OD1-CA 3.21Å; D308-T316 PolarHBondContact OD1-OG1 3.23Å; D308-V317 HydrophobicContact CB-CB 4.17Å; D308-V317 HydrophobicContact CB-CG2 4.03Å; D308-V317 PolarHBondContact OD1-N 3.49Å; D308-R319 IonicContact OD2-CZ 2.74Å; D308-R319 IonicContact OD2-NH1 3.55Å; D308-R319 PolarHBondContact OD2-NH1 3.24Å
309D86.1Confident89.1Confident21 Ų2145.6 Ų45.611%0.11227%0.267CS..  trans-81120.4-178.6164.820000110I307 T311 G312 Q313 L314 G315I307-D309 HydrophobicContact CG2-CB 4.35Å; I307-D309 PolarHBondContact O-N 3.39Å; D309-T311 PolarHBondContact O-N 2.95Å; D309-T311 WeakPolarHBondContact OD1-CB 3.38Å; D309-T311 PolarHBondContact OD1-N 3.15Å; D309-T311 PolarHBondContact OD1-OG1 3.31Å; D309-T311 PolarHBondContact OD2-OG1 3.26Å; D309-G312 PolarHBondContact O-N 2.97Å; D309-Q313 WeakPolarHBondContact OD2-CA 3.43Å; D309-Q313 WeakPolarHBondContact OD2-CB 3.3Å; D309-Q313 PolarHBondContact OD2-N 3.44Å; D309-L314 HydrophobicContact CB-CB 3.95Å; D309-L314 HydrophobicContact CB-CG 4.49Å; D309-L314 PolarHBondContact OD2-N 3.15Å; D309-G315 WeakPolarHBondContact CB-O 3.31Å; D309-G315 PolarHBondContact N-O 3.48Å; D309-G315 VanDerWaalsContact N-O 3.13Å
310P81.8Confident89.3Confident112 Ų11245.2 Ų45.273%0.72727%0.265SS*.THydrogen-bonded Turntrans-57.7-20.1179-25.334.5000114.8D308D308-P310 WeakPolarHBondContact O-CD 3.33Å
311T82.3Confident89.5Confident86 Ų8642.3 Ų42.353%0.52825%0.251SS..THydrogen-bonded Turntrans-89.2-12.2176.475.70000113.4D309 Q313D309-T311 PolarHBondContact O-N 2.95Å; D309-T311 WeakPolarHBondContact OD1-CB 3.38Å; D309-T311 PolarHBondContact OD1-N 3.15Å; D309-T311 PolarHBondContact OD1-OG1 3.31Å; D309-T311 PolarHBondContact OD2-OG1 3.26Å; T311-Q313 PolarHBondContact O-N 2.84Å; T311-Q313 WeakPolarHBondContact OG1-CG 3.44Å; T311-Q313 PolarHBondContact OG1-N 3.49Å
312G81.1Confident89.6Confident16 Ų1642.4 Ų42.417%0.16525%0.252CS..SBendtrans698.9-176.100000115D309D309-G312 PolarHBondContact O-N 2.97Å
313Q81.3Confident89.8Confident171 Ų17142.4 Ų42.480%0.79925%0.252SS*.SBendtrans-73.1-40.4-178.1-69.8-179.813.200111.7D309 T311D309-Q313 WeakPolarHBondContact OD2-CA 3.43Å; D309-Q313 WeakPolarHBondContact OD2-CB 3.3Å; D309-Q313 PolarHBondContact OD2-N 3.44Å; T311-Q313 PolarHBondContact O-N 2.84Å; T311-Q313 WeakPolarHBondContact OG1-CG 3.44Å; T311-Q313 PolarHBondContact OG1-N 3.49Å
314L86Confident89.9Confident110 Ų11040.1 Ų40.158%0.57624%0.24SC*.SBendtrans-89.4-27.9177.6-59.5177.8000112.7P287 I307 D309P287-L314 WeakPolarHBondContact CB-O 3.36Å; I307-L314 HydrophobicContact CB-CB 4.34Å; I307-L314 HydrophobicContact CD1-CD1 4.05Å; I307-L314 HydrophobicContact CG2-CD1 4.43Å; D309-L314 HydrophobicContact CB-CB 3.95Å; D309-L314 HydrophobicContact CB-CG 4.49Å; D309-L314 PolarHBondContact OD2-N 3.15Å
315G91.5Very high90.2Very high0 Ų039.8 Ų39.80%022%0.219CC..  trans153.2175-175.300000111.3P287 I307 D309P287-G315 WeakPolarHBondContact O-CA 3.32Å; I307-G315 CarbonylContact O-C 3.55Å; D309-G315 WeakPolarHBondContact CB-O 3.31Å; D309-G315 PolarHBondContact N-O 3.48Å; D309-G315 VanDerWaalsContact N-O 3.13Å
316T95.3Very high90.4Very high1 Ų141.4 Ų41.41%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-150.9152.3169.7-168.50000110.6K92 I95 L96 P287 N288 V289 D308K92-T316 WeakPolarHBondContact CG-OG1 3.31Å; I95-T316 HydrophobicContact CB-CG2 4.09Å; I95-T316 HydrophobicContact CG2-CG2 3.57Å; L96-T316 HydrophobicContact CD2-CG2 3.72Å; L96-T316 HydrophobicContact CG-CG2 4.36Å; P287-T316 PolarHBondContact O-N 3.44Å; N288-T316 CarbonylContact C-O 3.17Å; N288-T316 VanDerWaalsContact CA-O 3.31Å; N288-T316 WeakPolarHBondContact CA-O 3.37Å; N288-T316 HydrophobicContact CB-CG2 4.37Å; N288-T316 PolarHBondContact OD1-N 3.39Å; V289-T316 PolarHBondContact N-O 2.99Å; D308-T316 WeakPolarHBondContact OD1-CA 3.21Å; D308-T316 PolarHBondContact OD1-OG1 3.23Å
317V96.1Very high90.6Very high2 Ų241 Ų411%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-122.5108.5176.4-1730000108.6K92 V289 L291 A302 T306 D308 R319K92-V317 WeakPolarHBondContact CE-O 3.48Å; K92-V317 PolarHBondContact NZ-O 2.8Å; V289-V317 HydrophobicContact CB-CG1 4.28Å; V289-V317 HydrophobicContact CB-CG2 4.34Å; V289-V317 HydrophobicContact CG1-CG1 4.27Å; V289-V317 CarbonylContact O-C 3.55Å; V289-V317 WeakPolarHBondContact O-CA 3.29Å; L291-V317 HydrophobicContact CB-CG1 3.84Å; L291-V317 HydrophobicContact CD1-CG1 4.13Å; A302-V317 HydrophobicContact CB-CG1 4.17Å; A302-V317 HydrophobicContact CB-CG2 4.06Å; T306-V317 HydrophobicContact CG2-CG2 3.46Å; T306-V317 VanDerWaalsContact CG2-CG2 3.46Å; D308-V317 HydrophobicContact CB-CB 4.17Å; D308-V317 HydrophobicContact CB-CG2 4.03Å; D308-V317 PolarHBondContact OD1-N 3.49Å; V317-R319 HydrophobicContact CG1-CG 3.84Å; V317-R319 PolarHBondContact O-NH1 2.99Å
318L97.3Very high90.9Very high0 Ų043.5 Ų43.50%024%0.236CC..EExtended strand (participates in β ladder)trans-86.7115.7169.8-178.764.7000108.7V89 K92 L93 L96 V289 L290 L291 D339 I354V89-L318 HydrophobicContact CG1-CD1 4.38Å; K92-L318 HydrophobicContact CB-CD1 4.14Å; K92-L318 HydrophobicContact CD-CD1 4.12Å; L93-L318 HydrophobicContact CD2-CD2 3.63Å; L93-L318 HydrophobicContact CG-CD2 4.28Å; L96-L318 HydrophobicContact CD1-CB 4.07Å; L96-L318 HydrophobicContact CD1-CD2 3.97Å; V289-L318 PolarHBondContact O-N 3.06Å; L290-L318 HydrophobicContact CD1-CB 4.26Å; L290-L318 HydrophobicContact CD1-CD2 4.08Å; L290-L318 HydrophobicContact CD1-CG 4.15Å; L291-L318 PolarHBondContact N-O 3.44Å; L318-D339 HydrophobicContact CD1-CB 3.78Å; L318-I354 HydrophobicContact CD2-CD1 4.37Å; L318-I354 HydrophobicContact CD2-CG2 4.31Å
319R98.1Very high91Very high32 Ų3247.4 Ų47.412%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-102.2124-176.1-59.4-177.8177.974-1.8111.1L291 V299 D308 V317 Y338 D339 I340L291-R319 HydrophobicContact CB-CG 4.24Å; L291-R319 HydrophobicContact CD2-CB 4.48Å; L291-R319 HydrophobicContact CD2-CG 4.27Å; L291-R319 CarbonylContact O-C 3.54Å; L291-R319 WeakPolarHBondContact O-CA 3.17Å; V299-R319 PolarHBondContact O-NE 2.72Å; V299-R319 VanDerWaalsContact O-NE 3.14Å; D308-R319 IonicContact OD2-CZ 2.74Å; D308-R319 IonicContact OD2-NH1 3.55Å; D308-R319 PolarHBondContact OD2-NH1 3.24Å; V317-R319 HydrophobicContact CG1-CG 3.84Å; V317-R319 PolarHBondContact O-NH1 2.99Å; R319-Y338 HydrophobicContact CB-CD1 3.8Å; R319-Y338 HydrophobicContact CB-CE1 4.5Å; R319-D339 PolarHBondContact N-OD2 3.33Å; R319-D339 WeakPolarHBondContact O-CB 3.43Å; R319-D339 PolarHBondContact O-N 2.69Å; R319-I340 PolarHBondContact O-N 3.35Å; R319-I340 VanDerWaalsContact O-N 3.11Å
320I98.5Very high91.3Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-114.7120.6172.9-49.9-175.1000109L290 L291 L292 G293 Y338 I340 L342 P351 I354L290-I320 HydrophobicContact CD1-CD1 3.78Å; L290-I320 HydrophobicContact CD1-CG1 3.97Å; L291-I320 PolarHBondContact O-N 2.97Å; L292-I320 WeakPolarHBondContact CA-O 3.26Å; L292-I320 HydrophobicContact CD2-CB 3.66Å; L292-I320 HydrophobicContact CD2-CD1 3.92Å; L292-I320 HydrophobicContact CD2-CG1 3.99Å; L292-I320 HydrophobicContact CD2-CG2 4.45Å; G293-I320 PolarHBondContact N-O 3.25Å; G293-I320 VanDerWaalsContact N-O 3.17Å; I320-Y338 VanDerWaalsContact C-CD1 3.43Å; I320-I340 CarbonylContact C-O 3.58Å; I320-I340 VanDerWaalsContact CA-O 3.29Å; I320-I340 WeakPolarHBondContact CA-O 3.4Å; I320-I340 HydrophobicContact CD1-CD1 4.39Å; I320-I340 HydrophobicContact CG1-CB 4.25Å; I320-I340 HydrophobicContact CG1-CD1 4.38Å; I320-I340 HydrophobicContact CG2-CB 4.31Å; I320-I340 HydrophobicContact CG2-CG2 4.37Å; I320-L342 HydrophobicContact CG2-CD1 3.73Å; I320-L342 HydrophobicContact CG2-CG 3.84Å; I320-P351 HydrophobicContact CD1-CG 4.21Å; I320-I354 HydrophobicContact CD1-CD1 3.58Å
321G98.2Very high91.8Very high0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-101.6133.6-17900000111.8G293 Y338 I340 V341 L342G293-G321 CarbonylContact O-C 3.59Å; G293-G321 VanDerWaalsContact O-CA 3.24Å; G293-G321 WeakPolarHBondContact O-CA 3.25Å; G321-Y338 VanDerWaalsContact CA-CE1 3.46Å; G321-I340 PolarHBondContact N-O 3.35Å; G321-V341 CarbonylContact O-C 2.73Å; G321-V341 WeakPolarHBondContact O-CA 3.3Å; G321-L342 PolarHBondContact O-N 2.94Å
322F97.6Very high92.4Very high1 Ų147.2 Ų47.20%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-98.5102.5170.3-68.2-96.5000109.5T113 L292 G293 D294 N324 L342 F348 P351T113-F322 HydrophobicContact CG2-CD2 4.03Å; T113-F322 HydrophobicContact CG2-CE2 4.11Å; L292-F322 HydrophobicContact CB-CE2 4.49Å; G293-F322 PolarHBondContact O-N 2.88Å; D294-F322 WeakPolarHBondContact CA-O 3.33Å; D294-F322 HydrophobicContact CB-CB 4.03Å; D294-F322 VanDerWaalsContact CB-O 3.31Å; D294-F322 WeakPolarHBondContact CB-O 3.15Å; F322-N324 PolarHBondContact O-N 3.1Å; F322-L342 HydrophobicContact CD1-CB 4.28Å; F322-L342 HydrophobicContact CD1-CD1 4.18Å; F322-L342 HydrophobicContact CE1-CB 4.49Å; F322-L342 HydrophobicContact CE1-CD1 3.6Å; F322-L342 HydrophobicContact CE2-CD1 4.45Å; F322-L342 HydrophobicContact CZ-CD1 3.75Å; F322-F348 HydrophobicContact CE1-CD2 4Å; F322-F348 AromaticContact CE1-CE2 3.83Å; F322-F348 HydrophobicContact CE1-CE2 3.83Å; F322-F348 AromaticContact CE2-CE2 3.79Å; F322-F348 HydrophobicContact CE2-CE2 3.79Å; F322-F348 HydrophobicContact CE2-CZ 4.1Å; F322-F348 AromaticContact CZ-CD2 3.64Å; F322-F348 HydrophobicContact CZ-CD2 3.64Å; F322-F348 AromaticContact CZ-CE2 3.21Å; F322-F348 HydrophobicContact CZ-CE2 3.21Å; F322-F348 AromaticContact CZ-CZ 3.88Å; F322-F348 HydrophobicContact CZ-CZ 3.88Å; F322-P351 HydrophobicContact CZ-CG 4.28Å
323L96.2Very high93Very high1 Ų149.9 Ų49.91%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-93.594.2177.3176.354.4000109.8E325 V327 N330 L331 Y334 V341 L342 V343 N344L323-E325 VanDerWaalsContact CD1-O 3.29Å; L323-E325 WeakPolarHBondContact CD1-O 3.43Å; L323-V327 HydrophobicContact CD2-CB 4.39Å; L323-V327 HydrophobicContact CD2-CG1 3.97Å; L323-V327 HydrophobicContact CG-CB 4.45Å; L323-V327 HydrophobicContact CG-CG1 4.35Å; L323-V327 HydrophobicContact CG-CG2 4.26Å; L323-N330 HydrophobicContact CD1-CB 3.74Å; L323-N330 HydrophobicContact CD2-CB 4.21Å; L323-L331 HydrophobicContact CD2-CB 4.12Å; L323-L331 HydrophobicContact CD2-CD1 4.24Å; L323-Y334 HydrophobicContact CB-CD1 3.83Å; L323-Y334 HydrophobicContact CB-CE1 4.05Å; L323-Y334 HydrophobicContact CB-CG 4.23Å; L323-Y334 HydrophobicContact CD1-CD1 4.31Å; L323-Y334 HydrophobicContact CD1-CD2 4Å; L323-Y334 HydrophobicContact CD1-CE1 4.1Å; L323-Y334 HydrophobicContact CD1-CE2 3.79Å; L323-Y334 HydrophobicContact CD1-CG 4.25Å; L323-Y334 HydrophobicContact CD2-CD2 4.31Å; L323-Y334 HydrophobicContact CD2-CG 4.12Å; L323-Y334 HydrophobicContact CG-CD1 4.46Å; L323-Y334 HydrophobicContact CG-CG 4.44Å; L323-V341 HydrophobicContact CB-CG1 3.8Å; L323-V341 HydrophobicContact CD2-CG1 4.35Å; L323-L342 PolarHBondContact N-O 3.11Å; L323-V343 HydrophobicContact CB-CG1 4.2Å; L323-V343 HydrophobicContact CD2-CG1 4.41Å; L323-V343 WeakPolarHBondContact O-CA 3.34Å; L323-N344 PolarHBondContact O-N 3.17Å
324N94.1Very high93.7Very high16 Ų1642.8 Ų42.89%0.08621%0.21CC..  trans-87-28.4-168.3-65.5-50.8000114.6R112 Y117 R203 F322R112-N324 PolarHBondContact O-ND2 3.16Å; Y117-N324 HydrophobicContact CD1-CB 3.99Å; Y117-N324 HydrophobicContact CD2-CB 3.72Å; Y117-N324 HydrophobicContact CE2-CB 4.33Å; Y117-N324 HydrophobicContact CG-CB 3.54Å; R203-N324 PolarHBondContact NH2-ND2 2.72Å; R203-N324 PolarHBondContact NH2-OD1 2.96Å; F322-N324 PolarHBondContact O-N 3.1Å
325E90Very high94.2Very high64 Ų6439.6 Ų39.630%0.29919%0.192SC..SBendtrans-139.7162.4-177.467.7173.9158.700112.4Y117 Y153 L323 V327Y117-E325 HydrophobicContact CE1-CB 4.49Å; Y117-E325 PolarHBondContact OH-OE2 2.96Å; Y153-E325 PolarHBondContact OH-OE1 3.15Å; L323-E325 VanDerWaalsContact CD1-O 3.29Å; L323-E325 WeakPolarHBondContact CD1-O 3.43Å; E325-V327 PolarHBondContact O-N 3.26Å; E325-V327 VanDerWaalsContact O-N 3.12Å
326S89.2Confident94.4Very high62 Ų6243.1 Ų43.143%0.43422%0.216SC..  trans45.746.3-179.7-66.30000112.5Q328 E329 N330S326-Q328 VanDerWaalsContact C-N 3.28Å; S326-Q328 PolarHBondContact O-N 3.3Å; S326-E329 WeakPolarHBondContact CA-OE2 3.16Å; S326-E329 WeakPolarHBondContact CB-OE2 3.27Å; S326-E329 PolarHBondContact O-N 3.13Å; S326-E329 VanDerWaalsContact O-OE2 3.1Å; S326-N330 WeakPolarHBondContact CB-ND2 3.38Å; S326-N330 WeakPolarHBondContact O-CB 3.42Å; S326-N330 PolarHBondContact O-N 2.93Å; S326-N330 PolarHBondContact O-ND2 3.24Å
327V90.6Very high94.4Very high11 Ų1145.8 Ų45.87%0.06723%0.23CC..Hα-helixtrans-58.8-43.7-170.4-177.30000110.3I75 L323 E325 E329 N330 L331 V343I75-V327 HydrophobicContact CD1-CB 4.35Å; I75-V327 HydrophobicContact CD1-CG1 3.9Å; I75-V327 HydrophobicContact CG1-CB 4.12Å; I75-V327 HydrophobicContact CG1-CG1 3.57Å; L323-V327 HydrophobicContact CD2-CB 4.39Å; L323-V327 HydrophobicContact CD2-CG1 3.97Å; L323-V327 HydrophobicContact CG-CB 4.45Å; L323-V327 HydrophobicContact CG-CG1 4.35Å; L323-V327 HydrophobicContact CG-CG2 4.26Å; E325-V327 PolarHBondContact O-N 3.26Å; E325-V327 VanDerWaalsContact O-N 3.12Å; V327-E329 VanDerWaalsContact C-N 3.31Å; V327-E329 PolarHBondContact O-N 3.44Å; V327-N330 PolarHBondContact O-N 3.03Å; V327-L331 WeakPolarHBondContact O-CB 3.26Å; V327-L331 PolarHBondContact O-N 2.76Å; V327-V343 HydrophobicContact CG1-CB 3.88Å; V327-V343 HydrophobicContact CG1-CG1 3.59Å; V327-V343 HydrophobicContact CG2-CB 4.28Å
328Q89.3Confident94.5Very high157 Ų15746 Ų4673%0.73423%0.231SC*.Hα-helixtrans-62.6-39.8-177.8-175.9173.3-14.400112.2I75 S326I75-Q328 HydrophobicContact CD1-CB 3.97Å; S326-Q328 VanDerWaalsContact C-N 3.28Å; S326-Q328 PolarHBondContact O-N 3.3Å
329E90.5Very high94.5Very high133 Ų13347.1 Ų47.162%0.62124%0.237SC*.Hα-helixtrans-75.9-36.8-177.8-60.780.1-175.500112S326 V327S326-E329 WeakPolarHBondContact CA-OE2 3.16Å; S326-E329 WeakPolarHBondContact CB-OE2 3.27Å; S326-E329 PolarHBondContact O-N 3.13Å; S326-E329 VanDerWaalsContact O-OE2 3.1Å; V327-E329 VanDerWaalsContact C-N 3.31Å; V327-E329 PolarHBondContact O-N 3.44Å
330N92Very high94.5Very high37 Ų3745.6 Ų45.620%0.19823%0.231CC..Hα-helixtrans-100.7-14.7-169.4-70.3-38.2000114.4L323 S326 V327 E332 K333 Y334L323-N330 HydrophobicContact CD1-CB 3.74Å; L323-N330 HydrophobicContact CD2-CB 4.21Å; S326-N330 WeakPolarHBondContact CB-ND2 3.38Å; S326-N330 WeakPolarHBondContact O-CB 3.42Å; S326-N330 PolarHBondContact O-N 2.93Å; S326-N330 PolarHBondContact O-ND2 3.24Å; V327-N330 PolarHBondContact O-N 3.03Å; N330-E332 VanDerWaalsContact C-N 3.33Å; N330-E332 PolarHBondContact O-N 3.12Å; N330-K333 WeakPolarHBondContact O-CB 3.05Å; N330-K333 PolarHBondContact O-N 3.44Å; N330-K333 VanDerWaalsContact O-N 3.09Å; N330-Y334 HydrophobicContact CB-CD2 4.04Å; N330-Y334 HydrophobicContact CB-CE2 4.08Å; N330-Y334 WeakPolarHBondContact O-CD2 3.42Å; N330-Y334 PolarHBondContact O-N 3.47Å
331L93.3Very high94.4Very high22 Ų2245.6 Ų45.612%0.11523%0.231CC..Hα-helixtrans-56.1-43.6-171.8178.963.1000113.2Y82 L323 V327 K333 Y334 Q335 V341 V343Y82-L331 HydrophobicContact CD1-CD1 4.22Å; Y82-L331 HydrophobicContact CD1-CD2 3.79Å; Y82-L331 HydrophobicContact CD2-CD1 3.78Å; Y82-L331 HydrophobicContact CD2-CD2 4.34Å; Y82-L331 HydrophobicContact CE1-CD2 3.68Å; Y82-L331 HydrophobicContact CE2-CD1 4.33Å; Y82-L331 HydrophobicContact CE2-CD2 4.25Å; Y82-L331 HydrophobicContact CG-CD1 3.72Å; Y82-L331 HydrophobicContact CG-CD2 4.12Å; Y82-L331 HydrophobicContact CG-CG 4.5Å; L323-L331 HydrophobicContact CD2-CB 4.12Å; L323-L331 HydrophobicContact CD2-CD1 4.24Å; V327-L331 WeakPolarHBondContact O-CB 3.26Å; V327-L331 PolarHBondContact O-N 2.76Å; L331-K333 VanDerWaalsContact C-N 3.31Å; L331-K333 PolarHBondContact O-N 2.95Å; L331-Y334 PolarHBondContact O-N 2.97Å; L331-Q335 HydrophobicContact CD1-CG 3.91Å; L331-Q335 HydrophobicContact CG-CG 4.22Å; L331-Q335 WeakPolarHBondContact O-CB 3.45Å; L331-Q335 VanDerWaalsContact O-CG 3.31Å; L331-Q335 WeakPolarHBondContact O-CG 3.35Å; L331-Q335 PolarHBondContact O-N 3.44Å; L331-V341 HydrophobicContact CD1-CG1 4.14Å; L331-V343 HydrophobicContact CD1-CG1 4.41Å
332E94.4Very high94.2Very high155 Ų15545.6 Ų45.672%0.72423%0.231SC*.Hα-helixtrans-62.3-40.4-179.6-177.3173.7-171.600112.1N330 Q335 S336N330-E332 VanDerWaalsContact C-N 3.33Å; N330-E332 PolarHBondContact O-N 3.12Å; E332-Q335 PolarHBondContact O-N 3.46Å; E332-S336 PolarHBondContact O-N 3.32Å
333K93.5Very high94Very high72 Ų7245.6 Ų45.631%0.31323%0.231SC..Hα-helixtrans-64.9-46.6175.2-177.4-178.8-179.6-178.30110.5N159 N330 L331 Q335 S336 L337N159-K333 PolarHBondContact OD1-NZ 3.14Å; N330-K333 WeakPolarHBondContact O-CB 3.05Å; N330-K333 PolarHBondContact O-N 3.44Å; N330-K333 VanDerWaalsContact O-N 3.09Å; L331-K333 VanDerWaalsContact C-N 3.31Å; L331-K333 PolarHBondContact O-N 2.95Å; K333-Q335 VanDerWaalsContact C-N 3.34Å; K333-Q335 PolarHBondContact O-N 2.9Å; K333-S336 PolarHBondContact O-N 3.2Å; K333-S336 VanDerWaalsContact O-N 3.15Å; K333-S336 PolarHBondContact O-OG 3.39Å; K333-L337 HydrophobicContact CG-CD1 4.06Å; K333-L337 WeakPolarHBondContact O-CG 3.41Å; K333-L337 PolarHBondContact O-N 2.92Å
334Y96.2Very high93.6Very high22 Ų2247.3 Ų47.39%0.08624%0.24CC..Hα-helixtrans-64.1-40.3178.5-85.5-115.2000111.8D294 P296 L323 N330 L331 S336 L337 Y338 V341D294-Y334 WeakPolarHBondContact O-CE1 3.34Å; D294-Y334 VanDerWaalsContact O-CZ 3.27Å; D294-Y334 PolarHBondContact O-OH 3.33Å; P296-Y334 HydrophobicContact CG-CE2 4.37Å; L323-Y334 HydrophobicContact CB-CD1 3.83Å; L323-Y334 HydrophobicContact CB-CE1 4.05Å; L323-Y334 HydrophobicContact CB-CG 4.23Å; L323-Y334 HydrophobicContact CD1-CD1 4.31Å; L323-Y334 HydrophobicContact CD1-CD2 4Å; L323-Y334 HydrophobicContact CD1-CE1 4.1Å; L323-Y334 HydrophobicContact CD1-CE2 3.79Å; L323-Y334 HydrophobicContact CD1-CG 4.25Å; L323-Y334 HydrophobicContact CD2-CD2 4.31Å; L323-Y334 HydrophobicContact CD2-CG 4.12Å; L323-Y334 HydrophobicContact CG-CD1 4.46Å; L323-Y334 HydrophobicContact CG-CG 4.44Å; N330-Y334 HydrophobicContact CB-CD2 4.04Å; N330-Y334 HydrophobicContact CB-CE2 4.08Å; N330-Y334 WeakPolarHBondContact O-CD2 3.42Å; N330-Y334 PolarHBondContact O-N 3.47Å; L331-Y334 PolarHBondContact O-N 2.97Å; Y334-S336 PolarHBondContact O-N 2.9Å; Y334-L337 PolarHBondContact O-N 2.85Å; Y334-L337 VanDerWaalsContact O-N 3.16Å; Y334-Y338 AromaticContact CD1-CD2 3.8Å; Y334-Y338 HydrophobicContact CD1-CD2 3.8Å; Y334-Y338 AromaticContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CE1-CD2 4.48Å; Y334-Y338 HydrophobicContact CE1-CE2 4.01Å; Y334-Y338 HydrophobicContact CG-CD2 4.33Å; Y334-Y338 WeakPolarHBondContact O-CB 3.27Å; Y334-Y338 PolarHBondContact O-N 3.4Å; Y334-V341 HydrophobicContact CD1-CG1 4.45Å
335Q95.9Very high93.1Very high44 Ų4448 Ų4821%0.20624%0.244CC..Hα-helixtrans-66.4-19.2176.4-77.5-168.3-69.800114K84 L331 E332 K333 V341K84-Q335 HydrophobicContact CB-CB 4.13Å; K84-Q335 VanDerWaalsContact CB-O 3.3Å; K84-Q335 WeakPolarHBondContact CB-O 3.43Å; K84-Q335 HydrophobicContact CD-CB 4.23Å; K84-Q335 WeakPolarHBondContact CD-O 3.48Å; L331-Q335 HydrophobicContact CD1-CG 3.91Å; L331-Q335 HydrophobicContact CG-CG 4.22Å; L331-Q335 WeakPolarHBondContact O-CB 3.45Å; L331-Q335 VanDerWaalsContact O-CG 3.31Å; L331-Q335 WeakPolarHBondContact O-CG 3.35Å; L331-Q335 PolarHBondContact O-N 3.44Å; E332-Q335 PolarHBondContact O-N 3.46Å; K333-Q335 VanDerWaalsContact C-N 3.34Å; K333-Q335 PolarHBondContact O-N 2.9Å; Q335-V341 HydrophobicContact CG-CG2 4.15Å
336S96.2Very high93Very high73 Ų7345.4 Ų45.451%0.5123%0.233SC..Hα-helixtrans-86.8-24.1173.675.40000113.1E332 K333 Y334E332-S336 PolarHBondContact O-N 3.32Å; K333-S336 PolarHBondContact O-N 3.2Å; K333-S336 VanDerWaalsContact O-N 3.15Å; K333-S336 PolarHBondContact O-OG 3.39Å; Y334-S336 PolarHBondContact O-N 2.9Å
337L95.9Very high93.2Very high58 Ų5845.1 Ų45.130%0.30423%0.229SC..Hα-helixtrans-96.4-38.1-177.4-65.4176000112.9P296 V299 K333 Y334P296-L337 HydrophobicContact CB-CD1 3.75Å; P296-L337 HydrophobicContact CG-CD1 4.41Å; V299-L337 HydrophobicContact CG1-CB 3.97Å; K333-L337 HydrophobicContact CG-CD1 4.06Å; K333-L337 WeakPolarHBondContact O-CG 3.41Å; K333-L337 PolarHBondContact O-N 2.92Å; Y334-L337 PolarHBondContact O-N 2.85Å; Y334-L337 VanDerWaalsContact O-N 3.16Å
338Y98Very high93.4Very high5 Ų544.6 Ų44.62%0.0223%0.225CC..  trans-107.9144.7-176.4-68.1-83.3000111.8L291 S295 V299 R319 I320 G321 Y334L291-Y338 HydrophobicContact CD2-CE1 4.39Å; S295-Y338 PolarHBondContact O-OH 2.89Å; V299-Y338 HydrophobicContact CG1-CD1 4.08Å; V299-Y338 HydrophobicContact CG1-CD2 4.18Å; V299-Y338 HydrophobicContact CG1-CE1 3.67Å; V299-Y338 HydrophobicContact CG1-CE2 3.78Å; V299-Y338 HydrophobicContact CG1-CG 4.32Å; R319-Y338 HydrophobicContact CB-CD1 3.8Å; R319-Y338 HydrophobicContact CB-CE1 4.5Å; I320-Y338 VanDerWaalsContact C-CD1 3.43Å; G321-Y338 VanDerWaalsContact CA-CE1 3.46Å; Y334-Y338 AromaticContact CD1-CD2 3.8Å; Y334-Y338 HydrophobicContact CD1-CD2 3.8Å; Y334-Y338 AromaticContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CE1-CD2 4.48Å; Y334-Y338 HydrophobicContact CE1-CE2 4.01Å; Y334-Y338 HydrophobicContact CG-CD2 4.33Å; Y334-Y338 WeakPolarHBondContact O-CB 3.27Å; Y334-Y338 PolarHBondContact O-N 3.4Å
339D97.2Very high93.7Very high24 Ų2439.7 Ų39.713%0.12820%0.203CC..SBendtrans-72.8-39.2176.7-65.4-64.8000111V89 K92 L318 R319V89-D339 HydrophobicContact CG2-CB 4.02Å; V89-D339 WeakPolarHBondContact CG2-O 3.36Å; K92-D339 VanDerWaalsContact NZ-CG 3.28Å; K92-D339 IonicContact NZ-OD1 2.85Å; K92-D339 PolarHBondContact NZ-OD1 3.11Å; K92-D339 IonicContact NZ-OD2 3.59Å; K92-D339 PolarHBondContact NZ-OD2 2.96Å; L318-D339 HydrophobicContact CD1-CB 3.78Å; R319-D339 PolarHBondContact N-OD2 3.33Å; R319-D339 WeakPolarHBondContact O-CB 3.43Å; R319-D339 PolarHBondContact O-N 2.69Å
340I96.8Very high93.8Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-129.1129.4177.3-54176.7000108.3V81 I83 V89 R319 I320 G321 L342 I354V81-I340 HydrophobicContact CG1-CG2 3.61Å; I83-I340 HydrophobicContact CD1-CG1 4.22Å; I83-I340 HydrophobicContact CG1-CB 4.46Å; I83-I340 HydrophobicContact CG1-CG1 4.15Å; I83-I340 HydrophobicContact CG1-CG2 4.29Å; V89-I340 HydrophobicContact CG1-CD1 3.97Å; V89-I340 HydrophobicContact CG1-CG1 4.11Å; V89-I340 HydrophobicContact CG2-CG1 4.26Å; R319-I340 PolarHBondContact O-N 3.35Å; R319-I340 VanDerWaalsContact O-N 3.11Å; I320-I340 CarbonylContact C-O 3.58Å; I320-I340 VanDerWaalsContact CA-O 3.29Å; I320-I340 WeakPolarHBondContact CA-O 3.4Å; I320-I340 HydrophobicContact CD1-CD1 4.39Å; I320-I340 HydrophobicContact CG1-CB 4.25Å; I320-I340 HydrophobicContact CG1-CD1 4.38Å; I320-I340 HydrophobicContact CG2-CB 4.31Å; I320-I340 HydrophobicContact CG2-CG2 4.37Å; G321-I340 PolarHBondContact N-O 3.35Å; I340-L342 HydrophobicContact CG2-CD2 4.03Å; I340-I354 HydrophobicContact CD1-CD1 3.96Å
341V96.6Very high94.1Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-115123.6175.9-176.80000109.4V81 Y82 G321 L323 L331 Y334 Q335 V343V81-V341 WeakPolarHBondContact CA-O 3.08Å; Y82-V341 PolarHBondContact N-O 2.97Å; Y82-V341 PolarHBondContact O-N 3.26Å; G321-V341 CarbonylContact O-C 2.73Å; G321-V341 WeakPolarHBondContact O-CA 3.3Å; L323-V341 HydrophobicContact CB-CG1 3.8Å; L323-V341 HydrophobicContact CD2-CG1 4.35Å; L331-V341 HydrophobicContact CD1-CG1 4.14Å; Y334-V341 HydrophobicContact CD1-CG1 4.45Å; Q335-V341 HydrophobicContact CG-CG2 4.15Å; V341-V343 HydrophobicContact CG1-CG1 4.12Å
342L95.2Very high94.2Very high1 Ų133 Ų331%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-102.2135.2174.3-50.8-179.2000108.1V81 I320 G321 F322 L323 I340 I350V81-L342 HydrophobicContact CB-CD2 4.38Å; V81-L342 HydrophobicContact CG1-CD2 4Å; V81-L342 HydrophobicContact CG2-CD2 3.73Å; I320-L342 HydrophobicContact CG2-CD1 3.73Å; I320-L342 HydrophobicContact CG2-CG 3.84Å; G321-L342 PolarHBondContact O-N 2.94Å; F322-L342 HydrophobicContact CD1-CB 4.28Å; F322-L342 HydrophobicContact CD1-CD1 4.18Å; F322-L342 HydrophobicContact CE1-CB 4.49Å; F322-L342 HydrophobicContact CE1-CD1 3.6Å; F322-L342 HydrophobicContact CE2-CD1 4.45Å; F322-L342 HydrophobicContact CZ-CD1 3.75Å; L323-L342 PolarHBondContact N-O 3.11Å; I340-L342 HydrophobicContact CG2-CD2 4.03Å; L342-I350 HydrophobicContact CD1-CB 4.39Å; L342-I350 HydrophobicContact CD2-CB 4.2Å; L342-I350 HydrophobicContact CD2-CG1 4.02Å; L342-I350 HydrophobicContact CD2-CG2 4.38Å
343V93Very high94.1Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-122.5156.9-171.7-58.60000113A80 Y82 L323 V327 L331 V341 S346A80-V343 HydrophobicContact CB-CG2 3.66Å; A80-V343 WeakPolarHBondContact O-CG2 3.24Å; Y82-V343 HydrophobicContact CD2-CG1 3.79Å; Y82-V343 HydrophobicContact CD2-CG2 4.34Å; Y82-V343 HydrophobicContact CE2-CB 4.5Å; Y82-V343 HydrophobicContact CE2-CG1 3.83Å; Y82-V343 HydrophobicContact CE2-CG2 3.79Å; L323-V343 HydrophobicContact CB-CG1 4.2Å; L323-V343 HydrophobicContact CD2-CG1 4.41Å; L323-V343 WeakPolarHBondContact O-CA 3.34Å; V327-V343 HydrophobicContact CG1-CB 3.88Å; V327-V343 HydrophobicContact CG1-CG1 3.59Å; V327-V343 HydrophobicContact CG2-CB 4.28Å; L331-V343 HydrophobicContact CD1-CG1 4.41Å; V341-V343 HydrophobicContact CG1-CG1 4.12Å; V343-S346 PolarHBondContact N-OG 3.45Å; V343-S346 PolarHBondContact O-OG 3.19Å
344N87.1Confident94.2Very high37 Ų3724.9 Ų24.920%0.19813%0.13CC..SBendtrans56.254.4176.2-48.2-61.4000112.9I75 S77 T78 L323 S346I75-N344 PolarHBondContact O-ND2 2.89Å; S77-N344 PolarHBondContact O-ND2 3.3Å; T78-N344 WeakPolarHBondContact CB-O 3.36Å; T78-N344 HydrophobicContact CG2-CB 4.12Å; T78-N344 VanDerWaalsContact CG2-O 3.27Å; T78-N344 WeakPolarHBondContact CG2-O 3.49Å; L323-N344 PolarHBondContact O-N 3.17Å; N344-S346 VanDerWaalsContact C-N 3.32Å; N344-S346 PolarHBondContact O-N 2.98Å
345D84.5Confident94.1Very high32 Ų3223.8 Ų23.817%0.17113%0.126CC..SBendtrans58.438.5173.5-157.229.5000114.4Y117 C118 R203Y117-D345 WeakPolarHBondContact CB-OD1 3.28Å; Y117-D345 PolarHBondContact N-OD1 3.24Å; Y117-D345 PolarHBondContact N-OD2 2.99Å; C118-D345 PolarHBondContact N-OD2 3.36Å; R203-D345 IonicContact CZ-OD1 2.95Å; R203-D345 PolarHBondContact NH1-O 3.26Å; R203-D345 IonicContact NH1-OD1 3.57Å; R203-D345 PolarHBondContact NH1-OD1 2.93Å; R203-D345 IonicContact NH2-OD1 2.87Å; R203-D345 PolarHBondContact NH2-OD1 2.77Å
346S88.1Confident93.9Very high8 Ų825.1 Ų25.16%0.05613%0.132CC..  trans-52.6151.3176.9-58.90000114.1T78 R203 V343 N344T78-S346 WeakPolarHBondContact O-CA 3.43Å; T78-S346 WeakPolarHBondContact O-CB 3.33Å; T78-S346 PolarHBondContact O-OG 3.11Å; R203-S346 WeakPolarHBondContact CD-O 3.28Å; R203-S346 PolarHBondContact NH1-O 3.18Å; V343-S346 PolarHBondContact N-OG 3.45Å; V343-S346 PolarHBondContact O-OG 3.19Å; N344-S346 VanDerWaalsContact C-N 3.32Å; N344-S346 PolarHBondContact O-N 2.98Å
347T93.3Very high93.6Very high56 Ų5622.2 Ų22.234%0.34411%0.112SC..  trans-70.6173.4175.668.80000112.8D204 E349D204-T347 HydrophobicContact CB-CG2 3.89Å; T347-E349 PolarHBondContact O-N 3.01Å; T347-E349 WeakPolarHBondContact OG1-CB 3.36Å; T347-E349 PolarHBondContact OG1-N 2.86Å
348F95.4Very high93.2Very high0 Ų019.5 Ų19.50%010%0.098CC..THydrogen-bonded Turntrans-79.414.1172.5-103.2-121.1000114.2T113 L114 R203 D204 K205 V206 F209 L292 F322 I350 P351 Y352T113-F348 HydrophobicContact CG2-CZ 4.42Å; T113-F348 WeakPolarHBondContact O-CE2 3.21Å; L114-F348 HydrophobicContact CD2-CE1 3.69Å; L114-F348 HydrophobicContact CD2-CE2 4.47Å; L114-F348 HydrophobicContact CD2-CZ 3.59Å; L114-F348 HydrophobicContact CG-CZ 4.39Å; R203-F348 HydrophobicContact CB-CD2 3.86Å; R203-F348 HydrophobicContact CB-CE2 4.5Å; R203-F348 HydrophobicContact CG-CD2 4.35Å; D204-F348 WeakPolarHBondContact O-CB 3.48Å; D204-F348 PolarHBondContact O-N 3.04Å; K205-F348 HydrophobicContact CB-CB 3.84Å; V206-F348 HydrophobicContact CG2-CB 4.06Å; V206-F348 HydrophobicContact CG2-CD1 3.85Å; V206-F348 HydrophobicContact CG2-CD2 3.79Å; V206-F348 HydrophobicContact CG2-CE1 4.21Å; V206-F348 HydrophobicContact CG2-CE2 4.19Å; V206-F348 HydrophobicContact CG2-CG 3.61Å; V206-F348 HydrophobicContact CG2-CZ 4.38Å; F209-F348 HydrophobicContact CD1-CD1 4.17Å; F209-F348 HydrophobicContact CD1-CE1 4.27Å; F209-F348 HydrophobicContact CE1-CE1 4.29Å; F209-F348 HydrophobicContact CG-CD1 4.25Å; L292-F348 HydrophobicContact CD1-CE1 3.53Å; L292-F348 HydrophobicContact CD1-CZ 3.85Å; F322-F348 HydrophobicContact CE1-CD2 4Å; F322-F348 AromaticContact CE1-CE2 3.83Å; F322-F348 HydrophobicContact CE1-CE2 3.83Å; F322-F348 AromaticContact CE2-CE2 3.79Å; F322-F348 HydrophobicContact CE2-CE2 3.79Å; F322-F348 HydrophobicContact CE2-CZ 4.1Å; F322-F348 AromaticContact CZ-CD2 3.64Å; F322-F348 HydrophobicContact CZ-CD2 3.64Å; F322-F348 AromaticContact CZ-CE2 3.21Å; F322-F348 HydrophobicContact CZ-CE2 3.21Å; F322-F348 AromaticContact CZ-CZ 3.88Å; F322-F348 HydrophobicContact CZ-CZ 3.88Å; F348-I350 VanDerWaalsContact C-N 3.33Å; F348-I350 PolarHBondContact O-N 3.44Å; F348-P351 HydrophobicContact CD1-CB 4.02Å; F348-P351 HydrophobicContact CD1-CG 4.11Å; F348-P351 HydrophobicContact CE1-CB 4.42Å; F348-P351 HydrophobicContact CE1-CG 4.42Å; F348-P351 HydrophobicContact CG-CG 4.3Å; F348-P351 WeakPolarHBondContact O-CD 3.34Å; F348-Y352 VanDerWaalsContact O-CB 3.3Å; F348-Y352 WeakPolarHBondContact O-CB 3.35Å; F348-Y352 PolarHBondContact O-N 3.13Å
349E93.9Very high92.6Very high55 Ų5519.4 Ų19.426%0.25710%0.098SC..Hα-helixtrans-59.2-40.1-177.4-175.571.6-173.100112.8K205 T347 Y352 K353K205-E349 WeakPolarHBondContact CD-OE2 2.97Å; K205-E349 WeakPolarHBondContact CE-OE2 3.03Å; K205-E349 HydrophobicContact CG-CB 4.47Å; K205-E349 WeakPolarHBondContact CG-OE2 3.46Å; T347-E349 PolarHBondContact O-N 3.01Å; T347-E349 WeakPolarHBondContact OG1-CB 3.36Å; T347-E349 PolarHBondContact OG1-N 2.86Å; E349-Y352 PolarHBondContact O-N 3.01Å; E349-K353 HydrophobicContact CG-CD 4.36Å; E349-K353 WeakPolarHBondContact O-CB 3.27Å; E349-K353 WeakPolarHBondContact O-CG 3.4Å; E349-K353 PolarHBondContact O-N 3.1Å; E349-K353 WeakPolarHBondContact OE1-CE 3.44Å; E349-K353 IonicContact OE1-NZ 2.83Å; E349-K353 PolarHBondContact OE1-NZ 3.06Å
350I94.3Very high91.3Very high9 Ų922.4 Ų22.45%0.04612%0.12CC..Hα-helixtrans-69.2-52-179.9-60.8-69.3000111.5I66 V81 L342 F348 Y352 K353 I354I66-I350 HydrophobicContact CB-CD1 4.46Å; I66-I350 HydrophobicContact CD1-CG2 4.24Å; I66-I350 HydrophobicContact CG1-CD1 3.98Å; I66-I350 HydrophobicContact CG1-CG2 4.3Å; I66-I350 HydrophobicContact CG2-CD1 4.36Å; V81-I350 HydrophobicContact CG2-CD1 4.45Å; V81-I350 HydrophobicContact CG2-CG1 4.34Å; L342-I350 HydrophobicContact CD1-CB 4.39Å; L342-I350 HydrophobicContact CD2-CB 4.2Å; L342-I350 HydrophobicContact CD2-CG1 4.02Å; L342-I350 HydrophobicContact CD2-CG2 4.38Å; F348-I350 VanDerWaalsContact C-N 3.33Å; F348-I350 PolarHBondContact O-N 3.44Å; I350-Y352 VanDerWaalsContact C-N 3.26Å; I350-Y352 PolarHBondContact O-N 3.25Å; I350-K353 PolarHBondContact O-N 3.16Å; I350-I354 HydrophobicContact CG2-CD1 3.87Å; I350-I354 WeakPolarHBondContact O-CG1 3.45Å; I350-I354 PolarHBondContact O-N 3.38Å
351P96.9Very high89.6Confident0 Ų023.3 Ų23.30%012%0.124CC..Hα-helixtrans-51.1-45169.8-27.832.2000113.1F209 L292 I320 F322 F348 I354 I355F209-P351 HydrophobicContact CD2-CB 4.2Å; F209-P351 HydrophobicContact CE2-CB 3.85Å; F209-P351 HydrophobicContact CZ-CB 4.44Å; L292-P351 HydrophobicContact CD1-CB 4.46Å; L292-P351 HydrophobicContact CD2-CB 4.35Å; L292-P351 HydrophobicContact CD2-CG 4.11Å; I320-P351 HydrophobicContact CD1-CG 4.21Å; F322-P351 HydrophobicContact CZ-CG 4.28Å; F348-P351 HydrophobicContact CD1-CB 4.02Å; F348-P351 HydrophobicContact CD1-CG 4.11Å; F348-P351 HydrophobicContact CE1-CB 4.42Å; F348-P351 HydrophobicContact CE1-CG 4.42Å; F348-P351 HydrophobicContact CG-CG 4.3Å; F348-P351 WeakPolarHBondContact O-CD 3.34Å; P351-I354 PolarHBondContact O-N 3.22Å; P351-I355 WeakPolarHBondContact O-CG1 3.49Å; P351-I355 PolarHBondContact O-N 3.31Å; P351-I355 VanDerWaalsContact O-N 3.11Å
352Y95.9Very high87.4Confident41 Ų4124.6 Ų24.616%0.16113%0.131CC..Hα-helixtrans-60.7-49.8178.9179.9-120.7000112.8K205 E208 F209 L212 F348 E349 I350 I354 I355 Q356K205-Y352 HydrophobicContact CD-CD1 4.18Å; E208-Y352 HydrophobicContact CB-CD2 4.33Å; E208-Y352 HydrophobicContact CB-CE2 3.88Å; F209-Y352 HydrophobicContact CB-CD2 4.37Å; L212-Y352 HydrophobicContact CB-CE2 4.29Å; L212-Y352 HydrophobicContact CD2-CD2 4.14Å; L212-Y352 HydrophobicContact CD2-CE2 3.7Å; F348-Y352 VanDerWaalsContact O-CB 3.3Å; F348-Y352 WeakPolarHBondContact O-CB 3.35Å; F348-Y352 PolarHBondContact O-N 3.13Å; E349-Y352 PolarHBondContact O-N 3.01Å; I350-Y352 VanDerWaalsContact C-N 3.26Å; I350-Y352 PolarHBondContact O-N 3.25Å; Y352-I354 VanDerWaalsContact C-N 3.32Å; Y352-I354 PolarHBondContact O-N 3.03Å; Y352-I355 PolarHBondContact O-N 3.17Å; Y352-Q356 HydrophobicContact CD2-CG 4.36Å; Y352-Q356 VanDerWaalsContact CE1-CD 3.45Å; Y352-Q356 HydrophobicContact CE1-CG 4.22Å; Y352-Q356 HydrophobicContact CE2-CG 4Å; Y352-Q356 VanDerWaalsContact CZ-CD 3.49Å; Y352-Q356 VanDerWaalsContact CZ-NE2 3.33Å; Y352-Q356 WeakPolarHBondContact O-CG 2.82Å; Y352-Q356 PolarHBondContact O-N 3.02Å; Y352-Q356 PolarHBondContact OH-NE2 2.85Å
353K93.2Very high84.7Confident57 Ų5731.7 Ų31.725%0.24816%0.164CC..Hα-helixtrans-61.9-37.4177.2-78-177.7175.1165.50113.3L62 E349 I350 Q356 S357L62-K353 HydrophobicContact CD1-CB 3.84Å; E349-K353 HydrophobicContact CG-CD 4.36Å; E349-K353 WeakPolarHBondContact O-CB 3.27Å; E349-K353 WeakPolarHBondContact O-CG 3.4Å; E349-K353 PolarHBondContact O-N 3.1Å; E349-K353 WeakPolarHBondContact OE1-CE 3.44Å; E349-K353 IonicContact OE1-NZ 2.83Å; E349-K353 PolarHBondContact OE1-NZ 3.06Å; I350-K353 PolarHBondContact O-N 3.16Å; K353-Q356 PolarHBondContact O-N 2.96Å; K353-S357 WeakPolarHBondContact O-CB 3.48Å; K353-S357 PolarHBondContact O-N 3.42Å
354I94.3Very high84.2Confident0 Ų033.3 Ų33.30%017%0.172CC..Hα-helixtrans-59.8-48.5175.4-73.1164.8000109.9L62 I66 L93 L318 I320 I340 I350 P351 Y352 S357 I358L62-I354 HydrophobicContact CD2-CB 4.44Å; L62-I354 HydrophobicContact CD2-CG1 3.98Å; I66-I354 HydrophobicContact CD1-CD1 4.26Å; I66-I354 HydrophobicContact CD1-CG1 4.11Å; L93-I354 HydrophobicContact CD2-CG1 4.15Å; L93-I354 HydrophobicContact CD2-CG2 3.77Å; L318-I354 HydrophobicContact CD2-CD1 4.37Å; L318-I354 HydrophobicContact CD2-CG2 4.31Å; I320-I354 HydrophobicContact CD1-CD1 3.58Å; I340-I354 HydrophobicContact CD1-CD1 3.96Å; I350-I354 HydrophobicContact CG2-CD1 3.87Å; I350-I354 WeakPolarHBondContact O-CG1 3.45Å; I350-I354 PolarHBondContact O-N 3.38Å; P351-I354 PolarHBondContact O-N 3.22Å; Y352-I354 VanDerWaalsContact C-N 3.32Å; Y352-I354 PolarHBondContact O-N 3.03Å; I354-S357 PolarHBondContact O-N 3.36Å; I354-I358 HydrophobicContact CG2-CD1 3.73Å; I354-I358 WeakPolarHBondContact O-CD1 3.49Å; I354-I358 VanDerWaalsContact O-CG1 3.31Å; I354-I358 WeakPolarHBondContact O-CG1 3.34Å; I354-I358 PolarHBondContact O-N 2.8Å
355I94.9Very high84.1Confident0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-64.5-45.7178.3-64.1-57.8000111.4L104 I106 F209 L212 L213 L290 P351 Y352 S357 I358 L359L104-I355 HydrophobicContact CD2-CD1 3.78Å; I106-I355 HydrophobicContact CD1-CD1 3.85Å; F209-I355 HydrophobicContact CD2-CG1 4.07Å; F209-I355 HydrophobicContact CE2-CB 4.43Å; F209-I355 HydrophobicContact CE2-CD1 4.42Å; F209-I355 HydrophobicContact CE2-CG1 3.44Å; F209-I355 VanDerWaalsContact CE2-CG1 3.44Å; F209-I355 HydrophobicContact CZ-CG1 4.31Å; L212-I355 HydrophobicContact CD2-CB 4.32Å; L212-I355 HydrophobicContact CD2-CG2 3.66Å; L212-I355 HydrophobicContact CG-CG2 4.04Å; L213-I355 HydrophobicContact CD2-CD1 4.13Å; L213-I355 HydrophobicContact CD2-CG1 4.23Å; L213-I355 HydrophobicContact CD2-CG2 3.91Å; L290-I355 HydrophobicContact CD2-CD1 3.84Å; L290-I355 HydrophobicContact CD2-CG1 4.19Å; P351-I355 WeakPolarHBondContact O-CG1 3.49Å; P351-I355 PolarHBondContact O-N 3.31Å; P351-I355 VanDerWaalsContact O-N 3.11Å; Y352-I355 PolarHBondContact O-N 3.17Å; I355-S357 VanDerWaalsContact C-N 3.27Å; I355-S357 PolarHBondContact O-N 3.48Å; I355-I358 HydrophobicContact CD1-CD1 4.42Å; I355-I358 PolarHBondContact O-N 3.47Å; I355-I358 VanDerWaalsContact O-N 3.14Å; I355-L359 HydrophobicContact CG2-CD1 3.49Å; I355-L359 VanDerWaalsContact CG2-CD1 3.49Å; I355-L359 HydrophobicContact CG2-CG 4.06Å; I355-L359 WeakPolarHBondContact O-CB 3.34Å; I355-L359 VanDerWaalsContact O-CG 3.25Å; I355-L359 WeakPolarHBondContact O-CG 3.41Å; I355-L359 PolarHBondContact O-N 2.99Å
356Q92Very high84.1Confident71 Ų7133.1 Ų33.133%0.33217%0.17SC..Hα-helixtrans-54.1-46.7175-72.1-173.6-53.700111.5L212 Y352 K353 I358 L359 C360L212-Q356 HydrophobicContact CD2-CG 3.64Å; Y352-Q356 HydrophobicContact CD2-CG 4.36Å; Y352-Q356 VanDerWaalsContact CE1-CD 3.45Å; Y352-Q356 HydrophobicContact CE1-CG 4.22Å; Y352-Q356 HydrophobicContact CE2-CG 4Å; Y352-Q356 VanDerWaalsContact CZ-CD 3.49Å; Y352-Q356 VanDerWaalsContact CZ-NE2 3.33Å; Y352-Q356 WeakPolarHBondContact O-CG 2.82Å; Y352-Q356 PolarHBondContact O-N 3.02Å; Y352-Q356 PolarHBondContact OH-NE2 2.85Å; K353-Q356 PolarHBondContact O-N 2.96Å; Q356-I358 PolarHBondContact O-N 3.42Å; Q356-L359 PolarHBondContact O-N 3.02Å; Q356-L359 VanDerWaalsContact O-N 3.17Å; Q356-C360 WeakPolarHBondContact O-CB 3.34Å; Q356-C360 PolarHBondContact O-N 3.08Å; Q356-C360 PolarHBondContact O-SG 2.99Å
357S88.4Confident83.8Confident12 Ų1234.6 Ų34.68%0.08418%0.177CC..Hα-helixtrans-61.6-41.8178.7-178.40000112.6K353 I354 I355 L359 H361K353-S357 WeakPolarHBondContact O-CB 3.48Å; K353-S357 PolarHBondContact O-N 3.42Å; I354-S357 PolarHBondContact O-N 3.36Å; I355-S357 VanDerWaalsContact C-N 3.27Å; I355-S357 PolarHBondContact O-N 3.48Å; S357-L359 VanDerWaalsContact C-N 3.29Å; S357-L359 PolarHBondContact O-N 3.28Å; S357-H361 PolarHBondContact O-CD2 2.82Å
358I87.2Confident83.3Confident2 Ų233.3 Ų33.31%0.0117%0.167CC..Hα-helixtrans-65.5-34.1176.9-66.7160.2000111.3L96 L104 I354 I355 Q356L96-I358 HydrophobicContact CB-CD1 3.72Å; L96-I358 HydrophobicContact CB-CG1 4.05Å; L96-I358 HydrophobicContact CD1-CD1 3.8Å; L96-I358 HydrophobicContact CG-CD1 4.4Å; L104-I358 HydrophobicContact CD2-CD1 4.29Å; L104-I358 HydrophobicContact CD2-CG2 4.26Å; I354-I358 HydrophobicContact CG2-CD1 3.73Å; I354-I358 WeakPolarHBondContact O-CD1 3.49Å; I354-I358 VanDerWaalsContact O-CG1 3.31Å; I354-I358 WeakPolarHBondContact O-CG1 3.34Å; I354-I358 PolarHBondContact O-N 2.8Å; I355-I358 HydrophobicContact CD1-CD1 4.42Å; I355-I358 PolarHBondContact O-N 3.47Å; I355-I358 VanDerWaalsContact O-N 3.14Å; Q356-I358 PolarHBondContact O-N 3.42Å
359L85.6Confident82.4Confident2 Ų235.5 Ų35.51%0.0118%0.178CC..Hα-helixtrans-90.7-32.6-173.2-61.7179.6000115K101 L212 Y216 I218 I355 Q356 S357 H361 N362K101-L359 HydrophobicContact CB-CD2 3.6Å; L212-L359 HydrophobicContact CD1-CD1 3.92Å; L212-L359 HydrophobicContact CD2-CD1 4.2Å; L212-L359 HydrophobicContact CG-CD1 3.79Å; Y216-L359 HydrophobicContact CD1-CD1 4.35Å; Y216-L359 HydrophobicContact CD1-CD2 4.07Å; Y216-L359 HydrophobicContact CD2-CD1 3.65Å; Y216-L359 HydrophobicContact CE1-CB 4.34Å; Y216-L359 HydrophobicContact CE1-CD2 4.48Å; Y216-L359 HydrophobicContact CE2-CB 4.49Å; Y216-L359 HydrophobicContact CE2-CD1 4.03Å; Y216-L359 HydrophobicContact CG-CD1 3.8Å; Y216-L359 HydrophobicContact CG-CD2 4.17Å; Y216-L359 HydrophobicContact CG-CG 4.48Å; I218-L359 HydrophobicContact CD1-CD1 4.15Å; I218-L359 HydrophobicContact CD1-CD2 3.79Å; I355-L359 HydrophobicContact CG2-CD1 3.49Å; I355-L359 VanDerWaalsContact CG2-CD1 3.49Å; I355-L359 HydrophobicContact CG2-CG 4.06Å; I355-L359 WeakPolarHBondContact O-CB 3.34Å; I355-L359 VanDerWaalsContact O-CG 3.25Å; I355-L359 WeakPolarHBondContact O-CG 3.41Å; I355-L359 PolarHBondContact O-N 2.99Å; Q356-L359 PolarHBondContact O-N 3.02Å; Q356-L359 VanDerWaalsContact O-N 3.17Å; S357-L359 VanDerWaalsContact C-N 3.29Å; S357-L359 PolarHBondContact O-N 3.28Å; L359-H361 PolarHBondContact O-N 3.17Å; L359-N362 PolarHBondContact O-N 2.68Å
360C71.1Confident81.6Confident87 Ų8734.1 Ų34.159%0.58817%0.172SC*.THydrogen-bonded Turntrans-58.3-11.4175.5-73.70000113.4Q356Q356-C360 WeakPolarHBondContact O-CB 3.34Å; Q356-C360 PolarHBondContact O-N 3.08Å; Q356-C360 PolarHBondContact O-SG 2.99Å
361H60.3Low80.6Confident20 Ų2036 Ų369%0.09318%0.182CC..THydrogen-bonded Turntrans-95-2.1174-64.5-59.4000114.4P17 L55 T58 S357 L359P17-H361 WeakPolarHBondContact CD-O 3.43Å; P17-H361 WeakPolarHBondContact CG-O 3.26Å; L55-H361 HydrophobicContact CD2-CB 3.67Å; L55-H361 VanDerWaalsContact CD2-CD2 3.44Å; L55-H361 WeakPolarHBondContact CD2-CD2 3.35Å; T58-H361 WeakPolarHBondContact CB-CE1 3.46Å; T58-H361 WeakPolarHBondContact CB-NE2 3.44Å; T58-H361 WeakPolarHBondContact CG2-NE2 3.06Å; T58-H361 PolarHBondContact OG1-CE1 3.09Å; T58-H361 PolarHBondContact OG1-NE2 3Å; S357-H361 PolarHBondContact O-CD2 2.82Å; L359-H361 PolarHBondContact O-N 3.17Å
362N50Low79.3Confident26 Ų2639 Ų3914%0.13920%0.197CC..THydrogen-bonded Turntrans-99.8-17.3178.2-71.4-53.3000113.2K101 L359K101-N362 PolarHBondContact N-ND2 2.81Å; L359-N362 PolarHBondContact O-N 2.68Å
363E38.4Very low77.8Confident150 Ų15038.8 Ų38.870%0.70120%0.2SC*.  trans-81.60168.4-66-173.2169.600112.5R15 G16 Y216R15-E363 VanDerWaalsContact C-C 3.47Å; R15-E363 CarbonylContact C-O 3.5Å; R15-E363 WeakPolarHBondContact CA-O 3.46Å; G16-E363 WeakPolarHBondContact CA-O 3.49Å; G16-E363 WeakPolarHBondContact CA-OXT 3.48Å; G16-E363 PolarHBondContact N-O 3.47Å; G16-E363 PolarHBondContact N-OXT 3.31Å; Y216-E363 PolarHBondContact OH-OE1 2.92Å

Retrieved 363 of 363 residues in 84.6 ms (Link to these results)

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