A0A093HN30_STRCA Loading...

Tubulin-specific chaperone cofactor E-like protein

Acts as a regulator of tubulin stability.

AlphaFold DB , UniProt , Accession A0A093HN30, Species STRCA (Struthio camelus australis), Gene n/a, Length 424 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
1M35.5Very low70Confident242 Ų24296.7 Ų96.7100%1.19253%0.525SS*.  0960-73-176.1-155.600105.1Q3M1-Q3 PolarHBondContact O-N 3.27Å
2D39.2Very low72Confident167 Ų16788.9 Ų88.989%0.89348%0.483SS*.PPolyproline II helixtrans-70.1121.5177.7-70.8-32000108.1
3Q38.9Very low73.5Confident176 Ų17682.1 Ų82.182%0.82245%0.446SS*.PPolyproline II helixtrans-59137165.7-77.9177.6-17.700107.6M1 S5M1-Q3 PolarHBondContact O-N 3.27Å; Q3-S5 PolarHBondContact O-N 3.37Å
4P48.6Very low74.5Confident123 Ų12377.1 Ų77.180%0.79942%0.42SS*.PPolyproline II helixtrans-59.9121.5174.226.4-30.5000107.3G6P4-G6 PolarHBondContact O-N 3.33Å
5S60.4Low75.5Confident130 Ų13078.8 Ų78.891%0.90942%0.424SS*.  trans-72.936.2-169.165.20000114.6Q3Q3-S5 PolarHBondContact O-N 3.37Å
6G73.8Confident76.3Confident27 Ų2778.1 Ų78.128%0.27842%0.416SS..  trans-115.2149.8-172.500000113.4P4 T61P4-G6 PolarHBondContact O-N 3.33Å; G6-T61 WeakPolarHBondContact CA-OG1 3.46Å
7R93.9Very high76.8Confident82 Ų8274.9 Ų74.931%0.30940%0.397SS..EExtended strand (participates in β ladder)trans-97.1137.2177.2-59.2177.170.3-166.25.5109.5V12 E15 C58 I60 T61R7-V12 HydrophobicContact CB-CG2 3.97Å; R7-E15 IonicContact CZ-OE1 3.3Å; R7-E15 IonicContact CZ-OE2 3.83Å; R7-E15 IonicContact NE-OE1 2.64Å; R7-E15 IonicContact NH2-OE1 2.71Å; R7-E15 PolarHBondContact NH2-OE1 2.85Å; R7-E15 IonicContact NH2-OE2 2.84Å; R7-E15 PolarHBondContact NH2-OE2 3.16Å; R7-C58 PolarHBondContact NH1-O 2.86Å; R7-I60 CarbonylContact O-C 3.21Å; R7-I60 VanDerWaalsContact O-CA 3.3Å; R7-I60 WeakPolarHBondContact O-CA 3.44Å; R7-T61 PolarHBondContact N-OG1 2.94Å; R7-T61 PolarHBondContact O-N 2.8Å; R7-T61 PolarHBondContact O-OG1 3.24Å
8S96.3Very high77Confident12 Ų1272.2 Ų72.28%0.08439%0.385CS..EExtended strand (participates in β ladder)trans-78.2153.2172.662.10000111.6M10 Q11 V12 C62S8-M10 PolarHBondContact O-N 3.14Å; S8-Q11 PolarHBondContact O-N 2.84Å; S8-Q11 WeakPolarHBondContact OG-CB 3.26Å; S8-Q11 VanDerWaalsContact OG-CD 3.24Å; S8-Q11 WeakPolarHBondContact OG-CG 3.33Å; S8-Q11 PolarHBondContact OG-N 2.89Å; S8-Q11 VanDerWaalsContact OG-N 3.15Å; S8-Q11 PolarHBondContact OG-OE1 2.81Å; S8-Q11 VanDerWaalsContact OG-OE1 3.07Å; S8-V12 WeakPolarHBondContact O-CG2 3.31Å; S8-V12 PolarHBondContact O-N 2.89Å; S8-V12 VanDerWaalsContact O-N 3.08Å; S8-C62 CarbonylContact C-O 3.55Å; S8-C62 VanDerWaalsContact CA-O 3.28Å; S8-C62 WeakPolarHBondContact CA-O 2.82Å
9F96.6Very high76.7Confident0 Ų071.5 Ų71.50%039%0.385CS..Hα-helixtrans-53.2-44.7172.1163.5-87.1000110.6Q11 V12 L13 L53 L55 I60 C62 A63 I69 L79 L81 I95F9-Q11 PolarHBondContact O-N 3.38Å; F9-V12 PolarHBondContact O-N 3Å; F9-L13 HydrophobicContact CE1-CD2 4.07Å; F9-L13 HydrophobicContact CZ-CD1 4.4Å; F9-L13 HydrophobicContact CZ-CD2 4.38Å; F9-L13 VanDerWaalsContact O-CB 3.3Å; F9-L13 WeakPolarHBondContact O-CB 3.29Å; F9-L13 PolarHBondContact O-N 3.3Å; F9-L53 HydrophobicContact CZ-CD1 4.45Å; F9-L55 HydrophobicContact CD2-CD1 3.8Å; F9-L55 HydrophobicContact CE2-CD1 3.3Å; F9-L55 HydrophobicContact CZ-CD1 4.03Å; F9-I60 HydrophobicContact CB-CG2 3.99Å; F9-I60 HydrophobicContact CD2-CD1 4.31Å; F9-C62 PolarHBondContact N-O 2.82Å; F9-A63 WeakPolarHBondContact CB-O 3.49Å; F9-A63 PolarHBondContact N-O 3.43Å; F9-I69 HydrophobicContact CD1-CD1 4.08Å; F9-I69 HydrophobicContact CD1-CG1 3.94Å; F9-I69 HydrophobicContact CE1-CG1 4.07Å; F9-I69 HydrophobicContact CE1-CG2 4.09Å; F9-L79 HydrophobicContact CE2-CD1 3.95Å; F9-L79 HydrophobicContact CE2-CD2 4.3Å; F9-L81 HydrophobicContact CD2-CD2 3.93Å; F9-L81 HydrophobicContact CE2-CD2 4.08Å; F9-I95 HydrophobicContact CB-CD1 3.73Å; F9-I95 HydrophobicContact CB-CG1 4.17Å; F9-I95 HydrophobicContact CD1-CG1 4.44Å; F9-I95 HydrophobicContact CD1-CG2 4.43Å; F9-I95 HydrophobicContact CD2-CD1 4.01Å; F9-I95 HydrophobicContact CD2-CG1 4.48Å; F9-I95 HydrophobicContact CD2-CG2 4.14Å; F9-I95 HydrophobicContact CE1-CG2 4.33Å; F9-I95 HydrophobicContact CE2-CG2 3.99Å; F9-I95 HydrophobicContact CG-CD1 3.92Å; F9-I95 HydrophobicContact CG-CG1 4.12Å; F9-I95 HydrophobicContact CG-CG2 4.35Å; F9-I95 HydrophobicContact CZ-CG2 4.11Å
10M93.6Very high76.3Confident5 Ų576.4 Ų76.43%0.02541%0.405CS..Hα-helixtrans-63.2-42.1178-76.9-51.8-51.300113.7S8 V12 L13 C14 A63 E68 I69 F72S8-M10 PolarHBondContact O-N 3.14Å; M10-V12 VanDerWaalsContact C-N 3.34Å; M10-V12 PolarHBondContact O-N 2.95Å; M10-L13 HydrophobicContact CE-CD2 3.92Å; M10-L13 PolarHBondContact O-N 2.81Å; M10-L13 HydrophobicContact SD-CD2 3.88Å; M10-C14 WeakPolarHBondContact O-CB 3.37Å; M10-C14 PolarHBondContact O-N 2.79Å; M10-C14 PolarHBondContact O-SG 3.38Å; M10-A63 PolarHBondContact N-O 2.84Å; M10-E68 HydrophobicContact CE-CB 3.89Å; M10-E68 HydrophobicContact CG-CB 4.36Å; M10-E68 HydrophobicContact SD-CB 4.3Å; M10-I69 HydrophobicContact CG-CD1 4.29Å; M10-I69 HydrophobicContact CG-CG1 3.5Å; M10-I69 VanDerWaalsContact CG-CG1 3.5Å; M10-I69 HydrophobicContact SD-CB 4.15Å; M10-I69 HydrophobicContact SD-CG1 3.42Å; M10-I69 WeakPolarHBondContact SD-CG1 3.38Å; M10-F72 HydrophobicContact CE-CD2 3.58Å; M10-F72 HydrophobicContact CE-CE2 4.11Å; M10-F72 HydrophobicContact CE-CG 4.43Å
11Q92.9Very high75.8Confident100 Ų10077.6 Ų77.647%0.46741%0.412SS..Hα-helixtrans-58.6-47.9174.6-78.3164.6-24.900111.1S8 F9 C14 E15S8-Q11 PolarHBondContact O-N 2.84Å; S8-Q11 WeakPolarHBondContact OG-CB 3.26Å; S8-Q11 VanDerWaalsContact OG-CD 3.24Å; S8-Q11 WeakPolarHBondContact OG-CG 3.33Å; S8-Q11 PolarHBondContact OG-N 2.89Å; S8-Q11 VanDerWaalsContact OG-N 3.15Å; S8-Q11 PolarHBondContact OG-OE1 2.81Å; S8-Q11 VanDerWaalsContact OG-OE1 3.07Å; F9-Q11 PolarHBondContact O-N 3.38Å; Q11-C14 PolarHBondContact O-N 2.82Å; Q11-E15 WeakPolarHBondContact O-CB 3.47Å; Q11-E15 VanDerWaalsContact O-CG 3.3Å; Q11-E15 WeakPolarHBondContact O-CG 3.36Å; Q11-E15 PolarHBondContact O-N 2.64Å
12V94.1Very high77Confident3 Ų371.8 Ų71.82%0.01838%0.38CS..Hα-helixtrans-65.7-42.7179.8179.40000111.6R7 S8 F9 M10 C14 E15 K16 L55 C58 I60R7-V12 HydrophobicContact CB-CG2 3.97Å; S8-V12 WeakPolarHBondContact O-CG2 3.31Å; S8-V12 PolarHBondContact O-N 2.89Å; S8-V12 VanDerWaalsContact O-N 3.08Å; F9-V12 PolarHBondContact O-N 3Å; M10-V12 VanDerWaalsContact C-N 3.34Å; M10-V12 PolarHBondContact O-N 2.95Å; V12-C14 VanDerWaalsContact C-N 3.33Å; V12-C14 PolarHBondContact O-N 3.46Å; V12-E15 PolarHBondContact O-N 3.04Å; V12-K16 VanDerWaalsContact O-CB 3.24Å; V12-K16 WeakPolarHBondContact O-CB 3.48Å; V12-K16 PolarHBondContact O-N 2.91Å; V12-L55 HydrophobicContact CG1-CD2 3.68Å; V12-C58 HydrophobicContact CB-CB 4.36Å; V12-C58 HydrophobicContact CG1-CB 3.34Å; V12-C58 VanDerWaalsContact CG1-SG 3.55Å; V12-C58 HydrophobicContact CG2-CB 4.11Å; V12-I60 HydrophobicContact CB-CD1 4.18Å; V12-I60 HydrophobicContact CB-CG1 4.03Å; V12-I60 HydrophobicContact CG1-CD1 4.24Å; V12-I60 HydrophobicContact CG1-CG1 4.34Å; V12-I60 HydrophobicContact CG2-CD1 4.32Å; V12-I60 HydrophobicContact CG2-CG1 3.62Å
13L92Very high77.5Confident0 Ų068.5 Ų68.50%037%0.368CS..Hα-helixtrans-56-51178.1-17773.9000110.3F9 M10 K16 Y17 L49 L53 L55 F72F9-L13 HydrophobicContact CE1-CD2 4.07Å; F9-L13 HydrophobicContact CZ-CD1 4.4Å; F9-L13 HydrophobicContact CZ-CD2 4.38Å; F9-L13 VanDerWaalsContact O-CB 3.3Å; F9-L13 WeakPolarHBondContact O-CB 3.29Å; F9-L13 PolarHBondContact O-N 3.3Å; M10-L13 HydrophobicContact CE-CD2 3.92Å; M10-L13 PolarHBondContact O-N 2.81Å; M10-L13 HydrophobicContact SD-CD2 3.88Å; L13-K16 PolarHBondContact O-N 3.3Å; L13-Y17 HydrophobicContact CD1-CD2 3.8Å; L13-Y17 HydrophobicContact CD1-CE2 4.09Å; L13-Y17 WeakPolarHBondContact O-CB 3.32Å; L13-Y17 WeakPolarHBondContact O-CD2 3.46Å; L13-Y17 PolarHBondContact O-N 3.02Å; L13-L49 HydrophobicContact CD1-CD2 3.94Å; L13-L49 HydrophobicContact CD2-CD1 4.12Å; L13-L49 HydrophobicContact CG-CD2 4.24Å; L13-L53 HydrophobicContact CD1-CD1 3.62Å; L13-L53 HydrophobicContact CD1-CD2 4.08Å; L13-L53 HydrophobicContact CD1-CG 4.44Å; L13-L55 HydrophobicContact CD1-CD1 3.98Å; L13-F72 HydrophobicContact CD2-CB 4.24Å
14C88.1Confident77.8Confident12 Ų1269.1 Ų69.18%0.08136%0.364CS..Hα-helixtrans-72-36-176.1-60.90000112.3M10 Q11 V12 S18 M43 L47M10-C14 WeakPolarHBondContact O-CB 3.37Å; M10-C14 PolarHBondContact O-N 2.79Å; M10-C14 PolarHBondContact O-SG 3.38Å; Q11-C14 PolarHBondContact O-N 2.82Å; V12-C14 VanDerWaalsContact C-N 3.33Å; V12-C14 PolarHBondContact O-N 3.46Å; C14-S18 WeakPolarHBondContact O-CA 3.35Å; C14-S18 WeakPolarHBondContact O-CB 3.38Å; C14-S18 PolarHBondContact O-N 3.32Å; C14-M43 HydrophobicContact CB-CE 3.19Å; C14-M43 HydrophobicContact CB-SD 4.01Å; C14-M43 WeakPolarHBondContact SG-CE 3.32Å; C14-M43 PolarHBondContact SG-SD 2.78Å; C14-L47 HydrophobicContact CB-CD1 4.2Å; C14-L47 WeakPolarHBondContact SG-CD1 3.43Å
15E89.2Confident78Confident103 Ų10374.5 Ų74.548%0.48137%0.368SS..Hα-helixtrans-64.5-52.2172.1-76179.9-126.600111.1R7 Q11 V12 Y17 S18 N21R7-E15 IonicContact CZ-OE1 3.3Å; R7-E15 IonicContact CZ-OE2 3.83Å; R7-E15 IonicContact NE-OE1 2.64Å; R7-E15 IonicContact NH2-OE1 2.71Å; R7-E15 PolarHBondContact NH2-OE1 2.85Å; R7-E15 IonicContact NH2-OE2 2.84Å; R7-E15 PolarHBondContact NH2-OE2 3.16Å; Q11-E15 WeakPolarHBondContact O-CB 3.47Å; Q11-E15 VanDerWaalsContact O-CG 3.3Å; Q11-E15 WeakPolarHBondContact O-CG 3.36Å; Q11-E15 PolarHBondContact O-N 2.64Å; V12-E15 PolarHBondContact O-N 3.04Å; E15-Y17 PolarHBondContact O-N 3.12Å; E15-S18 PolarHBondContact O-N 3.41Å; E15-N21 PolarHBondContact O-ND2 3.24Å
16K87.9Confident77.2Confident68 Ų6879.7 Ų79.730%0.29637%0.368SS..Hα-helixtrans-63.8-46.7-175.5-170.9170.3-169.6163.50111.2V12 L13 F22 V54 L55V12-K16 VanDerWaalsContact O-CB 3.24Å; V12-K16 WeakPolarHBondContact O-CB 3.48Å; V12-K16 PolarHBondContact O-N 2.91Å; L13-K16 PolarHBondContact O-N 3.3Å; K16-F22 WeakPolarHBondContact O-CD2 3.4Å; K16-F22 WeakPolarHBondContact O-CE2 3.4Å; K16-V54 WeakPolarHBondContact CD-O 3.31Å; K16-V54 VanDerWaalsContact CE-O 3.23Å; K16-V54 WeakPolarHBondContact CE-O 3.12Å; K16-V54 PolarHBondContact NZ-O 3.36Å; K16-L55 HydrophobicContact CB-CD2 4.31Å; K16-L55 HydrophobicContact CD-CD2 3.81Å
17Y84.5Confident76.1Confident24 Ų2481 Ų819%0.09438%0.382CS..THydrogen-bonded Turntrans-98.516.4-174.8-63.3-83.4000113.9L13 E15 F22 L47 L49 P50 L53 V54 L55L13-Y17 HydrophobicContact CD1-CD2 3.8Å; L13-Y17 HydrophobicContact CD1-CE2 4.09Å; L13-Y17 WeakPolarHBondContact O-CB 3.32Å; L13-Y17 WeakPolarHBondContact O-CD2 3.46Å; L13-Y17 PolarHBondContact O-N 3.02Å; E15-Y17 PolarHBondContact O-N 3.12Å; Y17-F22 HydrophobicContact CD1-CE2 4.39Å; Y17-L47 WeakPolarHBondContact O-CD2 3.12Å; Y17-L49 VanDerWaalsContact CB-CD2 3.46Å; Y17-L49 HydrophobicContact CD1-CD2 4.23Å; Y17-L49 HydrophobicContact CD2-CD2 3.96Å; Y17-L49 HydrophobicContact CG-CD2 3.63Å; Y17-P50 HydrophobicContact CE1-CG 3.88Å; Y17-L53 HydrophobicContact CD2-CD2 4.42Å; Y17-L53 HydrophobicContact CE1-CD2 4.36Å; Y17-L53 HydrophobicContact CE2-CD2 3.86Å; Y17-V54 PolarHBondContact OH-N 3.1Å; Y17-V54 PolarHBondContact OH-O 3.12Å; Y17-L55 HydrophobicContact CD2-CD2 4.47Å; Y17-L55 HydrophobicContact CE2-CD2 3.91Å; Y17-L55 HydrophobicContact CE2-CG 4.34Å
18S81.2Confident73.8Confident25 Ų2584 Ų8418%0.17541%0.411CS..  trans-55.8140.9171.6172.20000110.8C14 E15 E20 N21 F22C14-S18 WeakPolarHBondContact O-CA 3.35Å; C14-S18 WeakPolarHBondContact O-CB 3.38Å; C14-S18 PolarHBondContact O-N 3.32Å; E15-S18 PolarHBondContact O-N 3.41Å; S18-E20 PolarHBondContact O-N 2.94Å; S18-E20 VanDerWaalsContact O-N 3.09Å; S18-E20 PolarHBondContact OG-N 3.45Å; S18-N21 PolarHBondContact O-N 2.66Å; S18-F22 PolarHBondContact O-N 3.02Å
19P70.4Confident71.7Confident60 Ų6084.6 Ų84.639%0.3942%0.42SS..THydrogen-bonded Turntrans-53.5-27.8172.8-25.835000114N21 F22 R46P19-N21 VanDerWaalsContact C-N 3.35Å; P19-F22 CarbonylContact O-C 3.43Å; P19-F22 VanDerWaalsContact O-C 3.27Å; P19-F22 PolarHBondContact O-N 2.82Å; P19-R46 WeakPolarHBondContact CG-O 3.34Å
20E69.5Low69.6Low168 Ų16890.5 Ų90.579%0.78545%0.449SS*.THydrogen-bonded Turntrans-68.9-33.3178.1-61.2-173.1165.100112.4S18S18-E20 PolarHBondContact O-N 2.94Å; S18-E20 VanDerWaalsContact O-N 3.09Å; S18-E20 PolarHBondContact OG-N 3.45Å
21N64.9Low67.8Low102 Ų10291.9 Ų91.955%0.54547%0.465SS..THydrogen-bonded Turntrans-86.8-17.1179.2-71.8-25.6000112.6E15 S18 P19 P23E15-N21 PolarHBondContact O-ND2 3.24Å; S18-N21 PolarHBondContact O-N 2.66Å; P19-N21 VanDerWaalsContact C-N 3.35Å; N21-P23 VanDerWaalsContact C-CD 3.44Å
22F61.4Low66Low121 Ų12188.2 Ų88.253%0.53145%0.449SS..  trans-127.566.1176-76-87.1000111.9K16 Y17 S18 P19 Y24K16-F22 WeakPolarHBondContact O-CD2 3.4Å; K16-F22 WeakPolarHBondContact O-CE2 3.4Å; Y17-F22 HydrophobicContact CD1-CE2 4.39Å; S18-F22 PolarHBondContact O-N 3.02Å; P19-F22 CarbonylContact O-C 3.43Å; P19-F22 VanDerWaalsContact O-C 3.27Å; P19-F22 PolarHBondContact O-N 2.82Å; F22-Y24 PolarHBondContact O-N 3.04Å; F22-Y24 VanDerWaalsContact O-N 3.14Å
23P50.5Low63.7Low98 Ų9893.9 Ų93.964%0.63648%0.475SS*.  trans-68.7-15-174.225-32.9000114.1N21N21-P23 VanDerWaalsContact C-CD 3.44Å
24Y45.3Very low61.7Low188 Ų18896.6 Ų96.674%0.73749%0.492SS*.SBendtrans-112.7113.5179.7-68.8-81.2000111F22 R26F22-Y24 PolarHBondContact O-N 3.04Å; F22-Y24 VanDerWaalsContact O-N 3.14Å; Y24-R26 PolarHBondContact O-N 3.16Å
25R51.4Low59.4Low237 Ų237100.7 Ų100.789%0.89452%0.518SS*.  trans-5599.1168.7-66.9-170.3-170.5-159.14.5109.8
26R44.5Very low57.2Low239 Ų239100.9 Ų100.990%0.90254%0.537SS*.  trans-119.1100.6165.5-73.4-167.9-176.6-169.83.3108.3Y24Y24-R26 PolarHBondContact O-N 3.16Å
27G49.2Very low55Low55 Ų55101.7 Ų101.757%0.56755%0.548SS*.SBendtrans114.6163.1165.900000115.6G29G27-G29 PolarHBondContact O-N 2.83Å
28P47.2Very low52.9Low143 Ų143106.5 Ų106.593%0.92958%0.582SS**  trans-73.674.5177.732.3-33.7000110.2
29G51.9Low51Low25 Ų25114.6 Ų114.626%0.25862%0.617SS.*  trans-85.7148.4164.200000110.3G27 N48G27-G29 PolarHBondContact O-N 2.83Å; G29-N48 WeakPolarHBondContact CA-OD1 3.43Å; G29-N48 PolarHBondContact O-OD1 3.46Å; G29-N48 VanDerWaalsContact O-OD1 3.05Å
30M53.1Low49.5Very low124 Ų124115.6 Ų115.661%0.61164%0.639SS**EExtended strand (participates in β ladder)trans-85.3120.8171.9-73.1-66.2-7400109V32 N48 L49M30-V32 PolarHBondContact O-N 2.84Å; M30-V32 VanDerWaalsContact O-N 3.14Å; M30-N48 VanDerWaalsContact C-OD1 3.22Å; M30-N48 PolarHBondContact N-OD1 2.83Å; M30-N48 PolarHBondContact O-OD1 2.92Å; M30-L49 PolarHBondContact N-O 3.49Å; M30-L49 PolarHBondContact O-N 2.64Å
31G54.8Low48Very low35 Ų35110 Ų11036%0.36162%0.618SS.*EExtended strand (participates in β ladder)trans-78.295.2176.100000110.8R46 N48G31-R46 PolarHBondContact O-NH2 3.48Å; G31-N48 PolarHBondContact N-OD1 2.88Å
32V54.7Low46.7Very low23 Ų23111.1 Ų111.114%0.13963%0.631CS.*EExtended strand (participates in β ladder)trans-80.1134.3179.6-174.80000109.8M30 R46 L47 A71 F72M30-V32 PolarHBondContact O-N 2.84Å; M30-V32 VanDerWaalsContact O-N 3.14Å; V32-R46 WeakPolarHBondContact O-CA 3.29Å; V32-L47 PolarHBondContact N-O 3Å; V32-L47 PolarHBondContact O-N 2.82Å; V32-A71 VanDerWaalsContact CG1-O 3.25Å; V32-A71 WeakPolarHBondContact CG1-O 3.45Å; V32-F72 HydrophobicContact CB-CD1 3.91Å; V32-F72 HydrophobicContact CB-CE1 4.31Å; V32-F72 HydrophobicContact CG1-CD1 3.67Å; V32-F72 HydrophobicContact CG1-CE1 4.02Å
33H47.2Very low46.1Very low121 Ų121109.2 Ų109.256%0.5662%0.624SS**  trans-126.5121.1176.4179.1-76000109.3R46H33-R46 HydrophobicContact CB-CG 4.04Å
34V48.3Very low45.9Very low58 Ų58113.8 Ų113.835%0.35263%0.634SS.*PPolyproline II helixtrans-97.8128.8176.5-175.20000109.3A71 F72V34-A71 HydrophobicContact CG2-CB 4.1Å; V34-F72 HydrophobicContact CB-CZ 4.31Å; V34-F72 HydrophobicContact CG2-CD1 4.42Å; V34-F72 HydrophobicContact CG2-CD2 4.45Å; V34-F72 HydrophobicContact CG2-CE1 3.68Å; V34-F72 HydrophobicContact CG2-CE2 3.74Å; V34-F72 HydrophobicContact CG2-CZ 3.3Å
35P40.6Very low46.2Very low98 Ų98110.5 Ų110.564%0.63663%0.629SS**PPolyproline II helixtrans-67.1145.5172-13.227.3000111.2T37P35-T37 PolarHBondContact O-N 3.35Å
36A43Very low46.6Very low106 Ų106106.5 Ų106.588%0.87661%0.614SS**PPolyproline II helixtrans-56.2121.1-176.400000112.9
37T41.2Very low47.5Very low85 Ų8595.5 Ų95.552%0.52157%0.573SS.*PPolyproline II helixtrans-78.6150.2165.640.90000110.6P35 Q39 S41P35-T37 PolarHBondContact O-N 3.35Å; T37-Q39 PolarHBondContact O-N 2.79Å; T37-S41 PolarHBondContact OG1-OG 2.95Å
38P41.2Very low48.5Very low125 Ų12596.1 Ų96.181%0.81256%0.564SS**SBendtrans-75.1115.3179.34.311.5000109.7
39Q40Very low50.1Low195 Ų19589.3 Ų89.391%0.91152%0.519SS*.SBendtrans83.7101.9169.4-57-177.4-10.700117.3T37T37-Q39 PolarHBondContact O-N 2.79Å
40G39.5Very low51.8Low82 Ų8290.1 Ų90.185%0.84552%0.52SS*.  trans107.2-6.8141.900000118.6
41S37.6Very low53.6Low51 Ų5186.8 Ų86.836%0.35751%0.509SS..  trans-77.5129.3177.638.20000111.3T37 M43T37-S41 PolarHBondContact OG1-OG 2.95Å; S41-M43 PolarHBondContact O-N 2.77Å; S41-M43 VanDerWaalsContact O-N 3.11Å
42P38.3Very low55.5Low125 Ų12587.7 Ų87.781%0.81251%0.508SS*.  trans-69.3-5-178.2-14.427.8000114.4K44P42-K44 PolarHBondContact O-N 2.86Å
43M48.3Very low57.4Low80 Ų8086.7 Ų86.739%0.39450%0.501SS..  trans-91.888.8-164.1-65.9-172.3-174.400111.7C14 S41C14-M43 HydrophobicContact CB-CE 3.19Å; C14-M43 HydrophobicContact CB-SD 4.01Å; C14-M43 WeakPolarHBondContact SG-CE 3.32Å; C14-M43 PolarHBondContact SG-SD 2.78Å; S41-M43 PolarHBondContact O-N 2.77Å; S41-M43 VanDerWaalsContact O-N 3.11Å
44K46.6Very low59.8Low195 Ų19583.4 Ų83.485%0.84849%0.49SS*.  trans-90.5-2.7169.4-92.2179.9174.2177.10114P42P42-K44 PolarHBondContact O-N 2.86Å
45D52.1Low62Low118 Ų11880.7 Ų80.763%0.63147%0.473SS*.SBendtrans-116.6141.8-167.2-65.4-46.3000113.8L47D45-L47 PolarHBondContact O-N 3.39Å
46R58.6Low64.7Low154 Ų15478.7 Ų78.758%0.58146%0.457SS*.  trans-66.4118.2177.1-64.6177.472.9175.43.9109.7P19 G31 V32 H33P19-R46 WeakPolarHBondContact CG-O 3.34Å; G31-R46 PolarHBondContact O-NH2 3.48Å; V32-R46 WeakPolarHBondContact O-CA 3.29Å; H33-R46 HydrophobicContact CB-CG 4.04Å
47L65.1Low67.2Low8 Ų876.7 Ų76.74%0.04244%0.437CS..EExtended strand (participates in β ladder)trans-81.1130.2168.4-70168000109.1C14 Y17 V32 D45 L49 F72C14-L47 HydrophobicContact CB-CD1 4.2Å; C14-L47 WeakPolarHBondContact SG-CD1 3.43Å; Y17-L47 WeakPolarHBondContact O-CD2 3.12Å; V32-L47 PolarHBondContact N-O 3Å; V32-L47 PolarHBondContact O-N 2.82Å; D45-L47 PolarHBondContact O-N 3.39Å; L47-L49 HydrophobicContact CB-CD1 4.31Å; L47-L49 HydrophobicContact CB-CG 4.08Å; L47-F72 HydrophobicContact CB-CD1 4.11Å; L47-F72 HydrophobicContact CB-CE1 3.98Å; L47-F72 HydrophobicContact CD1-CD1 3.86Å; L47-F72 HydrophobicContact CD1-CE1 3.63Å; L47-F72 HydrophobicContact CD1-CE2 4.4Å; L47-F72 HydrophobicContact CD1-CG 4.36Å; L47-F72 HydrophobicContact CD1-CZ 3.91Å; L47-F72 HydrophobicContact CG-CE1 4.12Å
48N69.6Low69.8Low67 Ų6773.8 Ų73.836%0.35842%0.42SS..EExtended strand (participates in β ladder)trans-101.495.3173.4-170.427.5000108.6G29 M30 G31G29-N48 WeakPolarHBondContact CA-OD1 3.43Å; G29-N48 PolarHBondContact O-OD1 3.46Å; G29-N48 VanDerWaalsContact O-OD1 3.05Å; M30-N48 VanDerWaalsContact C-OD1 3.22Å; M30-N48 PolarHBondContact N-OD1 2.83Å; M30-N48 PolarHBondContact O-OD1 2.92Å; G31-N48 PolarHBondContact N-OD1 2.88Å
49L81.4Confident72.4Confident0 Ų068.7 Ų68.70%039%0.39CS..EExtended strand (participates in β ladder)trans-99.8128.7-171-66.9171.2000110.6L13 Y17 M30 L47 L53 F72 H75L13-L49 HydrophobicContact CD1-CD2 3.94Å; L13-L49 HydrophobicContact CD2-CD1 4.12Å; L13-L49 HydrophobicContact CG-CD2 4.24Å; Y17-L49 VanDerWaalsContact CB-CD2 3.46Å; Y17-L49 HydrophobicContact CD1-CD2 4.23Å; Y17-L49 HydrophobicContact CD2-CD2 3.96Å; Y17-L49 HydrophobicContact CG-CD2 3.63Å; M30-L49 PolarHBondContact N-O 3.49Å; M30-L49 PolarHBondContact O-N 2.64Å; L47-L49 HydrophobicContact CB-CD1 4.31Å; L47-L49 HydrophobicContact CB-CG 4.08Å; L49-L53 HydrophobicContact CD2-CD2 4.17Å; L49-F72 HydrophobicContact CD1-CB 3.67Å; L49-F72 HydrophobicContact CD1-CD1 4.11Å; L49-F72 HydrophobicContact CD1-CG 4.27Å; L49-F72 VanDerWaalsContact CD1-O 3.25Å; L49-F72 WeakPolarHBondContact CD1-O 3.41Å; L49-H75 PolarHBondContact O-NE2 2.63Å
50P87.3Confident75.1Confident43 Ų4359.4 Ų59.428%0.27935%0.347SS..  trans-67.7163.8168.330.1-33.8000110.8Y17 V52 L53Y17-P50 HydrophobicContact CE1-CG 3.88Å; P50-V52 VanDerWaalsContact CG-O 3.26Å; P50-V52 WeakPolarHBondContact CG-O 3.34Å; P50-V52 PolarHBondContact O-N 2.96Å; P50-L53 HydrophobicContact CG-CD2 4.12Å
51S90.7Very high77.9Confident53 Ų5357.5 Ų57.537%0.37132%0.319SS..SBendtrans-72-15.3171.858.70000113V76 S77 E78S51-V76 WeakPolarHBondContact O-CA 3.34Å; S51-V76 WeakPolarHBondContact O-CG1 3.49Å; S51-S77 PolarHBondContact O-N 2.83Å; S51-S77 PolarHBondContact O-OG 2.82Å; S51-E78 PolarHBondContact O-N 3Å; S51-E78 VanDerWaalsContact O-N 3.15Å
52V94.3Very high80.7Confident55 Ų5557 Ų5733%0.33332%0.315SS..EExtended strand (participates in β ladder)trans-110.7110.2176.7-179.50000108.8P50 V54 E78P50-V52 VanDerWaalsContact CG-O 3.26Å; P50-V52 WeakPolarHBondContact CG-O 3.34Å; P50-V52 PolarHBondContact O-N 2.96Å; V52-V54 HydrophobicContact CG1-CG2 4.34Å; V52-E78 HydrophobicContact CB-CB 4.24Å; V52-E78 HydrophobicContact CG1-CB 3.97Å; V52-E78 HydrophobicContact CG2-CB 3.99Å; V52-E78 HydrophobicContact CG2-CG 4.02Å
53L95.2Very high83.4Confident1 Ų151 Ų511%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-101.9123.6178-63.6-176.3000110.3F9 L13 Y17 L49 P50 L55 V76 E78 L79 D80F9-L53 HydrophobicContact CZ-CD1 4.45Å; L13-L53 HydrophobicContact CD1-CD1 3.62Å; L13-L53 HydrophobicContact CD1-CD2 4.08Å; L13-L53 HydrophobicContact CD1-CG 4.44Å; Y17-L53 HydrophobicContact CD2-CD2 4.42Å; Y17-L53 HydrophobicContact CE1-CD2 4.36Å; Y17-L53 HydrophobicContact CE2-CD2 3.86Å; L49-L53 HydrophobicContact CD2-CD2 4.17Å; P50-L53 HydrophobicContact CG-CD2 4.12Å; L53-L55 HydrophobicContact CB-CD1 4.44Å; L53-V76 HydrophobicContact CB-CG1 4.46Å; L53-V76 HydrophobicContact CD1-CB 4.39Å; L53-V76 HydrophobicContact CD1-CG1 3.97Å; L53-V76 HydrophobicContact CD1-CG2 3.59Å; L53-V76 HydrophobicContact CG-CG1 3.94Å; L53-V76 HydrophobicContact CG-CG2 3.81Å; L53-E78 PolarHBondContact N-O 3.21Å; L53-L79 HydrophobicContact CB-CD1 3.67Å; L53-L79 HydrophobicContact CD1-CD1 4.38Å; L53-L79 WeakPolarHBondContact O-CA 3.35Å; L53-D80 PolarHBondContact O-N 2.84Å
54V96.1Very high85.6Confident53 Ų5349 Ų4932%0.32128%0.275SS..EExtended strand (participates in β ladder)trans-113.3108.4176.7-179.30000107.3K16 Y17 V52 N56 D80K16-V54 WeakPolarHBondContact CD-O 3.31Å; K16-V54 VanDerWaalsContact CE-O 3.23Å; K16-V54 WeakPolarHBondContact CE-O 3.12Å; K16-V54 PolarHBondContact NZ-O 3.36Å; Y17-V54 PolarHBondContact OH-N 3.1Å; Y17-V54 PolarHBondContact OH-O 3.12Å; V52-V54 HydrophobicContact CG1-CG2 4.34Å; V54-N56 WeakPolarHBondContact CG1-OD1 3.37Å; V54-D80 HydrophobicContact CG1-CB 4.39Å
55L96.1Very high87.7Confident0 Ų043.2 Ų43.20%025%0.254CS..  trans-129.431.6-174.4-68.1165.5000110.8F9 V12 L13 K16 Y17 L53 I60 L79 D80 L81 N84F9-L55 HydrophobicContact CD2-CD1 3.8Å; F9-L55 HydrophobicContact CE2-CD1 3.3Å; F9-L55 HydrophobicContact CZ-CD1 4.03Å; V12-L55 HydrophobicContact CG1-CD2 3.68Å; L13-L55 HydrophobicContact CD1-CD1 3.98Å; K16-L55 HydrophobicContact CB-CD2 4.31Å; K16-L55 HydrophobicContact CD-CD2 3.81Å; Y17-L55 HydrophobicContact CD2-CD2 4.47Å; Y17-L55 HydrophobicContact CE2-CD2 3.91Å; Y17-L55 HydrophobicContact CE2-CG 4.34Å; L53-L55 HydrophobicContact CB-CD1 4.44Å; L55-I60 HydrophobicContact CB-CD1 4.04Å; L55-L79 HydrophobicContact CD1-CD1 4.2Å; L55-D80 CarbonylContact C-O 3.2Å; L55-D80 WeakPolarHBondContact CA-O 3.19Å; L55-D80 PolarHBondContact N-O 3.02Å; L55-L81 HydrophobicContact CB-CD2 4.06Å; L55-L81 HydrophobicContact CD1-CD2 4.4Å; L55-N84 PolarHBondContact O-ND2 3.47Å
56N96.3Very high89.8Confident56 Ų5641.2 Ų41.230%0.29924%0.241SC..THydrogen-bonded Turntrans-68.6153.3177.573.1-70000112.4V54 C58 D80 S82V54-N56 WeakPolarHBondContact CG1-OD1 3.37Å; N56-C58 PolarHBondContact O-N 3.21Å; N56-C58 VanDerWaalsContact O-N 3.11Å; N56-C58 PolarHBondContact O-SG 3.48Å; N56-D80 PolarHBondContact N-O 3.5Å; N56-S82 CarbonylContact C-O 3.4Å; N56-S82 WeakPolarHBondContact CA-O 3.2Å; N56-S82 VanDerWaalsContact CB-O 3.28Å; N56-S82 WeakPolarHBondContact CB-O 3.19Å; N56-S82 WeakPolarHBondContact CB-OG 3.47Å
57S96.2Very high91.4Very high65 Ų6540.1 Ų40.146%0.45525%0.246SC..THydrogen-bonded Turntrans56.328.9173.1-48.10000114.5S82 D83S57-S82 PolarHBondContact N-O 2.89Å; S57-D83 WeakPolarHBondContact CA-O 3.45Å; S57-D83 WeakPolarHBondContact CB-OD2 3.35Å; S57-D83 PolarHBondContact N-O 3.14Å; S57-D83 PolarHBondContact OG-OD2 2.76Å
58C95.4Very high92.7Very high23 Ų2342.2 Ų42.216%0.15526%0.256CS..SBendtrans-100.7-6.3-173.4-72.90000114R7 V12 N56 I60 N84R7-C58 PolarHBondContact NH1-O 2.86Å; V12-C58 HydrophobicContact CB-CB 4.36Å; V12-C58 HydrophobicContact CG1-CB 3.34Å; V12-C58 VanDerWaalsContact CG1-SG 3.55Å; V12-C58 HydrophobicContact CG2-CB 4.11Å; N56-C58 PolarHBondContact O-N 3.21Å; N56-C58 VanDerWaalsContact O-N 3.11Å; N56-C58 PolarHBondContact O-SG 3.48Å; C58-I60 HydrophobicContact CB-CD1 4.37Å; C58-I60 HydrophobicContact CB-CG1 4.16Å; C58-N84 PolarHBondContact N-OD1 3.42Å
59G95.8Very high93.8Very high19 Ų1939 Ų3920%0.19624%0.239CC..  trans74.428.5-178.500000113.6N84G59-N84 PolarHBondContact N-OD1 3.35Å
60I97.6Very high94.4Very high0 Ų040.7 Ų40.70%025%0.252CS..EExtended strand (participates in β ladder)trans-66.4131.3177.1-60.9169.1000109.5R7 F9 V12 L55 C58 L81 N84 K85 L86R7-I60 CarbonylContact O-C 3.21Å; R7-I60 VanDerWaalsContact O-CA 3.3Å; R7-I60 WeakPolarHBondContact O-CA 3.44Å; F9-I60 HydrophobicContact CB-CG2 3.99Å; F9-I60 HydrophobicContact CD2-CD1 4.31Å; V12-I60 HydrophobicContact CB-CD1 4.18Å; V12-I60 HydrophobicContact CB-CG1 4.03Å; V12-I60 HydrophobicContact CG1-CD1 4.24Å; V12-I60 HydrophobicContact CG1-CG1 4.34Å; V12-I60 HydrophobicContact CG2-CD1 4.32Å; V12-I60 HydrophobicContact CG2-CG1 3.62Å; L55-I60 HydrophobicContact CB-CD1 4.04Å; C58-I60 HydrophobicContact CB-CD1 4.37Å; C58-I60 HydrophobicContact CB-CG1 4.16Å; I60-L81 HydrophobicContact CD1-CD2 4.18Å; I60-N84 HydrophobicContact CB-CB 4.12Å; I60-N84 PolarHBondContact N-OD1 2.97Å; I60-K85 CarbonylContact O-C 3.25Å; I60-K85 WeakPolarHBondContact O-CA 3.49Å; I60-K85 PolarHBondContact O-N 3.06Å; I60-L86 HydrophobicContact CG2-CD2 3.99Å; I60-L86 HydrophobicContact CG2-CG 4.37Å; I60-L86 PolarHBondContact O-N 3.47Å
61T96.8Very high94.5Very high41 Ų4140.8 Ų40.825%0.25226%0.257SS..EExtended strand (participates in β ladder)trans-120.4-21.6177.954.50000113.5G6 R7 K85G6-T61 WeakPolarHBondContact CA-OG1 3.46Å; R7-T61 PolarHBondContact N-OG1 2.94Å; R7-T61 PolarHBondContact O-N 2.8Å; R7-T61 PolarHBondContact O-OG1 3.24Å; T61-K85 HydrophobicContact CG2-CB 3.7Å; T61-K85 HydrophobicContact CG2-CD 4.35Å
62C96.5Very high94.4Very high41 Ų4138.6 Ų38.628%0.27724%0.241SC..EExtended strand (participates in β ladder)trans-150.4167-175.760.80000111.3S8 F9 E91S8-C62 CarbonylContact C-O 3.55Å; S8-C62 VanDerWaalsContact CA-O 3.28Å; S8-C62 WeakPolarHBondContact CA-O 2.82Å; F9-C62 PolarHBondContact N-O 2.82Å; C62-E91 WeakPolarHBondContact CA-OE2 3.05Å; C62-E91 HydrophobicContact CB-CG 4.18Å; C62-E91 WeakPolarHBondContact CB-OE2 3.42Å
63A95.7Very high94.3Very high0 Ų036 Ų360%023%0.225CC..  trans-71.5-48.4-177.700000112.8F9 M10 I69 E91 K94 I95F9-A63 WeakPolarHBondContact CB-O 3.49Å; F9-A63 PolarHBondContact N-O 3.43Å; M10-A63 PolarHBondContact N-O 2.84Å; A63-I69 HydrophobicContact CB-CD1 3.9Å; A63-E91 PolarHBondContact N-OE2 3.25Å; A63-K94 HydrophobicContact CB-CB 3.69Å; A63-K94 HydrophobicContact CB-CD 4.26Å; A63-I95 HydrophobicContact CB-CD1 4.37Å; A63-I95 HydrophobicContact CB-CG1 3.64Å
64G93.6Very high94Very high36 Ų3638 Ų3837%0.37124%0.242SC..  trans92.5-152.7-165.500000111.7E66G64-E66 PolarHBondContact O-N 3.11Å
65D92.5Very high93.7Very high75 Ų7537.9 Ų37.940%0.40124%0.238SC..  trans-76.8114.7-178.2-167.9-46.1000111.4N67 E68 I69D65-N67 VanDerWaalsContact C-N 3.29Å; D65-N67 PolarHBondContact O-N 3.26Å; D65-N67 WeakPolarHBondContact OD1-CB 3.04Å; D65-N67 PolarHBondContact OD1-N 3.48Å; D65-N67 PolarHBondContact OD1-ND2 2.85Å; D65-E68 HydrophobicContact CB-CB 4.2Å; D65-E68 HydrophobicContact CB-CG 3.92Å; D65-E68 PolarHBondContact O-N 3.03Å; D65-E68 PolarHBondContact OD1-N 3.22Å; D65-I69 WeakPolarHBondContact O-CG1 3.25Å; D65-I69 PolarHBondContact O-N 3.11Å
66E94.4Very high93.6Very high76 Ų7637.9 Ų37.936%0.35524%0.238SC..Hα-helixtrans-59.8-34.4-179.4-68.8-178.3-117.600113.5G64 E68 I69 A70 K94 N98G64-E66 PolarHBondContact O-N 3.11Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 3Å; E66-I69 PolarHBondContact O-N 3.11Å; E66-A70 WeakPolarHBondContact O-CB 3.36Å; E66-A70 PolarHBondContact O-N 3.09Å; E66-K94 HydrophobicContact CG-CB 4.07Å; E66-K94 HydrophobicContact CG-CD 4.45Å; E66-K94 HydrophobicContact CG-CG 4.27Å; E66-N98 PolarHBondContact OE2-ND2 2.88Å
67N93.4Very high93.6Very high130 Ų13036.7 Ų36.770%0.69523%0.234SC*.Hα-helixtrans-69.6-35.2179.1-56.5-70.3000111.1D65 A71D65-N67 VanDerWaalsContact C-N 3.29Å; D65-N67 PolarHBondContact O-N 3.26Å; D65-N67 WeakPolarHBondContact OD1-CB 3.04Å; D65-N67 PolarHBondContact OD1-N 3.48Å; D65-N67 PolarHBondContact OD1-ND2 2.85Å; N67-A71 WeakPolarHBondContact O-CB 3.46Å; N67-A71 PolarHBondContact O-N 2.84Å
68E91.8Very high93.7Very high52 Ų5237.5 Ų37.524%0.24323%0.231CC..Hα-helixtrans-68.2-44.9173.5-62.4-173162.700110.3M10 D65 E66 A70 A71 F72M10-E68 HydrophobicContact CE-CB 3.89Å; M10-E68 HydrophobicContact CG-CB 4.36Å; M10-E68 HydrophobicContact SD-CB 4.3Å; D65-E68 HydrophobicContact CB-CB 4.2Å; D65-E68 HydrophobicContact CB-CG 3.92Å; D65-E68 PolarHBondContact O-N 3.03Å; D65-E68 PolarHBondContact OD1-N 3.22Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 3Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 2.88Å; E68-A71 PolarHBondContact O-N 3.35Å; E68-A71 VanDerWaalsContact O-N 3.15Å; E68-F72 HydrophobicContact CB-CD2 4.23Å; E68-F72 HydrophobicContact CB-CE2 4.33Å; E68-F72 WeakPolarHBondContact O-CB 3.38Å; E68-F72 WeakPolarHBondContact O-CD2 3.49Å; E68-F72 PolarHBondContact O-N 2.9Å
69I93.9Very high93.9Very high0 Ų036.5 Ų36.50%022%0.224CC..Hα-helixtrans-54.9-49.9175.1-60.2169.6000110F9 M10 A63 D65 E66 A71 F72 C73 I95 N98F9-I69 HydrophobicContact CD1-CD1 4.08Å; F9-I69 HydrophobicContact CD1-CG1 3.94Å; F9-I69 HydrophobicContact CE1-CG1 4.07Å; F9-I69 HydrophobicContact CE1-CG2 4.09Å; M10-I69 HydrophobicContact CG-CD1 4.29Å; M10-I69 HydrophobicContact CG-CG1 3.5Å; M10-I69 VanDerWaalsContact CG-CG1 3.5Å; M10-I69 HydrophobicContact SD-CB 4.15Å; M10-I69 HydrophobicContact SD-CG1 3.42Å; M10-I69 WeakPolarHBondContact SD-CG1 3.38Å; A63-I69 HydrophobicContact CB-CD1 3.9Å; D65-I69 WeakPolarHBondContact O-CG1 3.25Å; D65-I69 PolarHBondContact O-N 3.11Å; E66-I69 PolarHBondContact O-N 3.11Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.13Å; I69-F72 PolarHBondContact O-N 2.85Å; I69-C73 HydrophobicContact CG2-CB 4.29Å; I69-C73 WeakPolarHBondContact O-CA 3.41Å; I69-C73 WeakPolarHBondContact O-CB 3.33Å; I69-C73 PolarHBondContact O-N 2.9Å; I69-I95 HydrophobicContact CD1-CG1 4.28Å; I69-N98 HydrophobicContact CB-CB 4.03Å; I69-N98 HydrophobicContact CG2-CB 3.64Å
70A92.6Very high94Very high35 Ų3537.1 Ų37.129%0.28922%0.223SC..Hα-helixtrans-59.3-42.6179.400000112.3E66 E68 A74 N98E66-A70 WeakPolarHBondContact O-CB 3.36Å; E66-A70 PolarHBondContact O-N 3.09Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 2.88Å; A70-A74 WeakPolarHBondContact O-CB 3.29Å; A70-A74 PolarHBondContact O-N 2.94Å; A70-N98 HydrophobicContact CB-CB 4.09Å
71A89.6Confident94.1Very high46 Ų4637.1 Ų37.138%0.3822%0.223SC..Hα-helixtrans-66.4-39.418000000112.4V32 V34 N67 E68 I69V32-A71 VanDerWaalsContact CG1-O 3.25Å; V32-A71 WeakPolarHBondContact CG1-O 3.45Å; V34-A71 HydrophobicContact CG2-CB 4.1Å; N67-A71 WeakPolarHBondContact O-CB 3.46Å; N67-A71 PolarHBondContact O-N 2.84Å; E68-A71 PolarHBondContact O-N 3.35Å; E68-A71 VanDerWaalsContact O-N 3.15Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.13Å
72F88.8Confident94.1Very high6 Ų636 Ų363%0.02622%0.216CC..Hα-helixtrans-89-29.1-174.4-74.1-63.1000114.3M10 L13 V32 V34 L47 L49 E68 I69 H75M10-F72 HydrophobicContact CE-CD2 3.58Å; M10-F72 HydrophobicContact CE-CE2 4.11Å; M10-F72 HydrophobicContact CE-CG 4.43Å; L13-F72 HydrophobicContact CD2-CB 4.24Å; V32-F72 HydrophobicContact CB-CD1 3.91Å; V32-F72 HydrophobicContact CB-CE1 4.31Å; V32-F72 HydrophobicContact CG1-CD1 3.67Å; V32-F72 HydrophobicContact CG1-CE1 4.02Å; V34-F72 HydrophobicContact CB-CZ 4.31Å; V34-F72 HydrophobicContact CG2-CD1 4.42Å; V34-F72 HydrophobicContact CG2-CD2 4.45Å; V34-F72 HydrophobicContact CG2-CE1 3.68Å; V34-F72 HydrophobicContact CG2-CE2 3.74Å; V34-F72 HydrophobicContact CG2-CZ 3.3Å; L47-F72 HydrophobicContact CB-CD1 4.11Å; L47-F72 HydrophobicContact CB-CE1 3.98Å; L47-F72 HydrophobicContact CD1-CD1 3.86Å; L47-F72 HydrophobicContact CD1-CE1 3.63Å; L47-F72 HydrophobicContact CD1-CE2 4.4Å; L47-F72 HydrophobicContact CD1-CG 4.36Å; L47-F72 HydrophobicContact CD1-CZ 3.91Å; L47-F72 HydrophobicContact CG-CE1 4.12Å; L49-F72 HydrophobicContact CD1-CB 3.67Å; L49-F72 HydrophobicContact CD1-CD1 4.11Å; L49-F72 HydrophobicContact CD1-CG 4.27Å; L49-F72 VanDerWaalsContact CD1-O 3.25Å; L49-F72 WeakPolarHBondContact CD1-O 3.41Å; E68-F72 HydrophobicContact CB-CD2 4.23Å; E68-F72 HydrophobicContact CB-CE2 4.33Å; E68-F72 WeakPolarHBondContact O-CB 3.38Å; E68-F72 WeakPolarHBondContact O-CD2 3.49Å; E68-F72 PolarHBondContact O-N 2.9Å; I69-F72 PolarHBondContact O-N 2.85Å; F72-H75 PolarHBondContact O-CE1 3Å; F72-H75 VanDerWaalsContact O-CE1 3.23Å
73C91.9Very high94.2Very high0 Ų038.2 Ų38.20%023%0.226CC..Hα-helixtrans-111.68-169.8-59.80000114.2I69 H75 V76 V99I69-C73 HydrophobicContact CG2-CB 4.29Å; I69-C73 WeakPolarHBondContact O-CA 3.41Å; I69-C73 WeakPolarHBondContact O-CB 3.33Å; I69-C73 PolarHBondContact O-N 2.9Å; C73-H75 PolarHBondContact O-N 3.33Å; C73-H75 VanDerWaalsContact O-N 3.09Å; C73-V76 HydrophobicContact CB-CB 4.33Å; C73-V76 HydrophobicContact CB-CG2 4Å; C73-V76 WeakPolarHBondContact O-CB 3.48Å; C73-V76 PolarHBondContact O-N 3.5Å; C73-V99 HydrophobicContact CB-CG2 3.79Å
74A89.4Confident94.3Very high45 Ų4538.6 Ų38.637%0.37223%0.227SC..THydrogen-bonded Turntrans-55.3-30.6-179.400000114.3A70 H101A70-A74 WeakPolarHBondContact O-CB 3.29Å; A70-A74 PolarHBondContact O-N 2.94Å; A74-H101 PolarHBondContact O-CD2 2.81Å
75H89.6Confident94.5Very high49 Ų4942.9 Ų42.923%0.22724%0.236CC..THydrogen-bonded Turntrans-96.73.1179.965.5-79.3000114.3L49 F72 C73L49-H75 PolarHBondContact O-NE2 2.63Å; F72-H75 PolarHBondContact O-CE1 3Å; F72-H75 VanDerWaalsContact O-CE1 3.23Å; C73-H75 PolarHBondContact O-N 3.33Å; C73-H75 VanDerWaalsContact O-N 3.09Å
76V94.9Very high94.7Very high0 Ų039.3 Ų39.30%022%0.217CC..  trans-78.2134-177.7172.40000109.7S51 L53 C73 V99 H101S51-V76 WeakPolarHBondContact O-CA 3.34Å; S51-V76 WeakPolarHBondContact O-CG1 3.49Å; L53-V76 HydrophobicContact CB-CG1 4.46Å; L53-V76 HydrophobicContact CD1-CB 4.39Å; L53-V76 HydrophobicContact CD1-CG1 3.97Å; L53-V76 HydrophobicContact CD1-CG2 3.59Å; L53-V76 HydrophobicContact CG-CG1 3.94Å; L53-V76 HydrophobicContact CG-CG2 3.81Å; C73-V76 HydrophobicContact CB-CB 4.33Å; C73-V76 HydrophobicContact CB-CG2 4Å; C73-V76 WeakPolarHBondContact O-CB 3.48Å; C73-V76 PolarHBondContact O-N 3.5Å; V76-V99 HydrophobicContact CB-CG1 3.74Å; V76-V99 HydrophobicContact CG1-CG1 3.93Å; V76-V99 VanDerWaalsContact O-CG1 3.23Å; V76-V99 WeakPolarHBondContact O-CG1 3.25Å; V76-H101 CarbonylContact O-C 3.48Å
77S96.4Very high94.7Very high31 Ų3140.8 Ų40.822%0.21722%0.224CC..  trans-116.2-22.2-17962.10000113.3S51 H101 E103 F104S51-S77 PolarHBondContact O-N 2.83Å; S51-S77 PolarHBondContact O-OG 2.82Å; S77-H101 WeakPolarHBondContact CA-O 3.24Å; S77-E103 PolarHBondContact O-N 3.43Å; S77-F104 PolarHBondContact O-N 2.76Å
78E98.3Very high94.8Very high83 Ų8337.9 Ų37.939%0.38821%0.208SC..EExtended strand (participates in β ladder)trans-134.5133.9180-55.5-172.4-165.800110.9S51 V52 L53 F104S51-E78 PolarHBondContact O-N 3Å; S51-E78 VanDerWaalsContact O-N 3.15Å; V52-E78 HydrophobicContact CB-CB 4.24Å; V52-E78 HydrophobicContact CG1-CB 3.97Å; V52-E78 HydrophobicContact CG2-CB 3.99Å; V52-E78 HydrophobicContact CG2-CG 4.02Å; L53-E78 PolarHBondContact N-O 3.21Å; E78-F104 HydrophobicContact CB-CB 3.95Å; E78-F104 HydrophobicContact CB-CD1 3.97Å; E78-F104 HydrophobicContact CB-CG 4.39Å; E78-F104 HydrophobicContact CG-CB 3.79Å
79L98.3Very high95Very high1 Ų135.6 Ų35.61%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-135.1117.6-178.5-174.660.8000111.8F9 L53 L55 L81 I95 L102 F104 L105 N106F9-L79 HydrophobicContact CE2-CD1 3.95Å; F9-L79 HydrophobicContact CE2-CD2 4.3Å; L53-L79 HydrophobicContact CB-CD1 3.67Å; L53-L79 HydrophobicContact CD1-CD1 4.38Å; L53-L79 WeakPolarHBondContact O-CA 3.35Å; L55-L79 HydrophobicContact CD1-CD1 4.2Å; L79-L81 HydrophobicContact CD1-CD2 3.85Å; L79-L81 HydrophobicContact CD1-CG 4.26Å; L79-L81 HydrophobicContact CD2-CD1 3.81Å; L79-L81 HydrophobicContact CD2-CD2 4.13Å; L79-L81 HydrophobicContact CD2-CG 3.91Å; L79-L81 HydrophobicContact CG-CD1 4.27Å; L79-L81 HydrophobicContact CG-CD2 3.96Å; L79-L81 HydrophobicContact CG-CG 3.8Å; L79-I95 HydrophobicContact CD2-CG2 3.8Å; L79-L102 HydrophobicContact CB-CD1 3.58Å; L79-F104 PolarHBondContact N-O 3.48Å; L79-L105 HydrophobicContact CB-CD1 4.26Å; L79-L105 HydrophobicContact CD2-CD1 4.27Å; L79-L105 HydrophobicContact CG-CD1 4.37Å; L79-L105 WeakPolarHBondContact O-CA 3.49Å; L79-N106 PolarHBondContact O-N 3.16Å
80D98.5Very high95.1Very high33 Ų3339.9 Ų39.918%0.17622%0.217CC..EExtended strand (participates in β ladder)trans-103.3107171.3-169.9-10.7000111.1L53 V54 L55 N56 S82 N106L53-D80 PolarHBondContact O-N 2.84Å; V54-D80 HydrophobicContact CG1-CB 4.39Å; L55-D80 CarbonylContact C-O 3.2Å; L55-D80 WeakPolarHBondContact CA-O 3.19Å; L55-D80 PolarHBondContact N-O 3.02Å; N56-D80 PolarHBondContact N-O 3.5Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 3.07Å; D80-S82 PolarHBondContact OD1-OG 3.47Å; D80-N106 HydrophobicContact CB-CB 4.35Å; D80-N106 PolarHBondContact OD1-ND2 3.39Å; D80-N106 VanDerWaalsContact OD1-ND2 3.13Å; D80-N106 PolarHBondContact OD2-ND2 3.3Å
81L98.4Very high95.3Very high0 Ų039.6 Ų39.60%021%0.21CC..  trans-109.420175.3-58.7179.9000112F9 L55 I60 L79 N84 L86 I95 N106 L107 N110F9-L81 HydrophobicContact CD2-CD2 3.93Å; F9-L81 HydrophobicContact CE2-CD2 4.08Å; L55-L81 HydrophobicContact CB-CD2 4.06Å; L55-L81 HydrophobicContact CD1-CD2 4.4Å; I60-L81 HydrophobicContact CD1-CD2 4.18Å; L79-L81 HydrophobicContact CD1-CD2 3.85Å; L79-L81 HydrophobicContact CD1-CG 4.26Å; L79-L81 HydrophobicContact CD2-CD1 3.81Å; L79-L81 HydrophobicContact CD2-CD2 4.13Å; L79-L81 HydrophobicContact CD2-CG 3.91Å; L79-L81 HydrophobicContact CG-CD1 4.27Å; L79-L81 HydrophobicContact CG-CD2 3.96Å; L79-L81 HydrophobicContact CG-CG 3.8Å; L81-N84 VanDerWaalsContact C-ND2 3.31Å; L81-N84 PolarHBondContact O-ND2 3.37Å; L81-L86 HydrophobicContact CB-CD1 4.17Å; L81-L86 HydrophobicContact CD1-CD1 3.98Å; L81-I95 HydrophobicContact CD1-CD1 4.14Å; L81-N106 CarbonylContact C-O 3.51Å; L81-N106 WeakPolarHBondContact CA-O 3.4Å; L81-N106 PolarHBondContact N-O 3.24Å; L81-L107 HydrophobicContact CB-CD2 4.17Å; L81-L107 HydrophobicContact CD1-CD2 4.11Å; L81-N110 PolarHBondContact O-ND2 2.95Å
82S98.4Very high95.7Very high17 Ų1737.4 Ų37.412%0.11919%0.192CC..  trans-62.5153.8-176.957.20000113.8N56 S57 D80 N84 N106 S108N56-S82 CarbonylContact C-O 3.4Å; N56-S82 WeakPolarHBondContact CA-O 3.2Å; N56-S82 VanDerWaalsContact CB-O 3.28Å; N56-S82 WeakPolarHBondContact CB-O 3.19Å; N56-S82 WeakPolarHBondContact CB-OG 3.47Å; S57-S82 PolarHBondContact N-O 2.89Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 3.07Å; D80-S82 PolarHBondContact OD1-OG 3.47Å; S82-N84 VanDerWaalsContact C-N 3.28Å; S82-N84 PolarHBondContact O-N 2.94Å; S82-N84 PolarHBondContact O-ND2 3.45Å; S82-N106 PolarHBondContact N-O 3.31Å; S82-S108 CarbonylContact C-O 3.45Å; S82-S108 WeakPolarHBondContact CA-O 3.47Å; S82-S108 WeakPolarHBondContact CB-O 3.48Å
83D97.9Very high96Very high88 Ų8837.7 Ų37.747%0.47119%0.194SC..SBendtrans55.641.3176.8-170.141.4000112.9S57 S108S57-D83 WeakPolarHBondContact CA-O 3.45Å; S57-D83 WeakPolarHBondContact CB-OD2 3.35Å; S57-D83 PolarHBondContact N-O 3.14Å; S57-D83 PolarHBondContact OG-OD2 2.76Å; D83-S108 PolarHBondContact N-O 3.48Å
84N97.8Very high96.3Very high7 Ų739.8 Ų39.84%0.03720%0.203CC..SBendtrans-107.9-170.3171.4-78.6-65.5000110.2L55 C58 G59 I60 L81 S82 L86 N110L55-N84 PolarHBondContact O-ND2 3.47Å; C58-N84 PolarHBondContact N-OD1 3.42Å; G59-N84 PolarHBondContact N-OD1 3.35Å; I60-N84 HydrophobicContact CB-CB 4.12Å; I60-N84 PolarHBondContact N-OD1 2.97Å; L81-N84 VanDerWaalsContact C-ND2 3.31Å; L81-N84 PolarHBondContact O-ND2 3.37Å; S82-N84 VanDerWaalsContact C-N 3.28Å; S82-N84 PolarHBondContact O-N 2.94Å; S82-N84 PolarHBondContact O-ND2 3.45Å; N84-L86 HydrophobicContact CB-CD1 4.49Å; N84-N110 VanDerWaalsContact CA-OD1 3.27Å; N84-N110 WeakPolarHBondContact CA-OD1 3.42Å; N84-N110 WeakPolarHBondContact CB-OD1 3.41Å; N84-N110 PolarHBondContact N-OD1 3.01Å; N84-N110 PolarHBondContact O-OD1 2.83Å
85K97.1Very high96.6Very high126 Ų12637.7 Ų37.755%0.54819%0.186SC..  trans-114.936.3-177.6-60.3-179.4-176.5-179.70110.8I60 T61 E87 N110I60-K85 CarbonylContact O-C 3.25Å; I60-K85 WeakPolarHBondContact O-CA 3.49Å; I60-K85 PolarHBondContact O-N 3.06Å; T61-K85 HydrophobicContact CG2-CB 3.7Å; T61-K85 HydrophobicContact CG2-CD 4.35Å; K85-E87 PolarHBondContact O-N 3.38Å; K85-N110 PolarHBondContact N-OD1 3.14Å
86L96.6Very high96.9Very high0 Ų035.5 Ų35.50%018%0.176CC..  trans-77.2104.4177.1-67.6161.7000109I60 L81 N84 V92 L107 N110 P111 L112I60-L86 HydrophobicContact CG2-CD2 3.99Å; I60-L86 HydrophobicContact CG2-CG 4.37Å; I60-L86 PolarHBondContact O-N 3.47Å; L81-L86 HydrophobicContact CB-CD1 4.17Å; L81-L86 HydrophobicContact CD1-CD1 3.98Å; N84-L86 HydrophobicContact CB-CD1 4.49Å; L86-V92 HydrophobicContact CB-CG2 4.25Å; L86-V92 HydrophobicContact CD1-CG2 4.28Å; L86-V92 HydrophobicContact CD2-CG2 4.5Å; L86-L107 HydrophobicContact CD1-CD2 4.49Å; L86-N110 HydrophobicContact CB-CB 4.27Å; L86-N110 WeakPolarHBondContact CB-OD1 3.43Å; L86-N110 PolarHBondContact N-OD1 2.99Å; L86-N110 VanDerWaalsContact N-OD1 3.1Å; L86-P111 WeakPolarHBondContact O-CD 3.3Å; L86-L112 HydrophobicContact CB-CD2 4.32Å; L86-L112 VanDerWaalsContact O-CD2 3.31Å; L86-L112 WeakPolarHBondContact O-CD2 3.46Å
87E95.8Very high97Very high107 Ų10738.1 Ų38.150%0.519%0.194SC..  trans-94-26.8179.4-66176.8-165.800112.2K85 P111 L114 S115K85-E87 PolarHBondContact O-N 3.38Å; E87-P111 HydrophobicContact CB-CG 4.34Å; E87-P111 HydrophobicContact CG-CB 4.03Å; E87-P111 HydrophobicContact CG-CG 3.37Å; E87-L114 HydrophobicContact CB-CD1 4.47Å; E87-L114 HydrophobicContact CG-CD1 4Å; E87-S115 VanDerWaalsContact O-CB 3.28Å; E87-S115 WeakPolarHBondContact O-CB 3.49Å; E87-S115 PolarHBondContact O-OG 3.11Å
88D94.8Very high96.9Very high69 Ų6938.1 Ų38.137%0.36919%0.192SC..  trans-111.1119.2-171.4-172.2-4.7000112.1H90 E91 V92 S115D88-H90 PolarHBondContact O-N 2.76Å; D88-H90 VanDerWaalsContact OD1-CB 3.29Å; D88-H90 WeakPolarHBondContact OD1-CB 3.16Å; D88-H90 PolarHBondContact OD1-N 3.01Å; D88-E91 HydrophobicContact CB-CG 4.24Å; D88-E91 PolarHBondContact O-N 3.46Å; D88-E91 VanDerWaalsContact O-N 3.11Å; D88-V92 PolarHBondContact O-N 3.14Å; D88-S115 WeakPolarHBondContact CA-OG 3.41Å
89W96.6Very high96.8Very high4 Ų434.4 Ų34.42%0.01518%0.175CC..Hα-helixtrans-58.1-26.3173-76.2106.1000113.8V92 S93 L107 L112 S115 L117 F125 L133 T142W89-V92 HydrophobicContact CE3-CB 4.42Å; W89-V92 PolarHBondContact O-N 3.05Å; W89-S93 VanDerWaalsContact O-CB 3.31Å; W89-S93 WeakPolarHBondContact O-CB 3.4Å; W89-S93 PolarHBondContact O-N 3.16Å; W89-L107 HydrophobicContact CH2-CD1 4.08Å; W89-L107 HydrophobicContact CZ3-CD1 3.73Å; W89-L112 HydrophobicContact CD2-CD2 4.11Å; W89-L112 HydrophobicContact CE3-CD2 4.43Å; W89-L112 HydrophobicContact CG-CD2 4.48Å; W89-L112 HydrophobicContact CH2-CD1 3.79Å; W89-L112 HydrophobicContact CZ2-CB 3.81Å; W89-L112 HydrophobicContact CZ2-CD1 3.83Å; W89-L112 HydrophobicContact CZ2-CD2 4.48Å; W89-L112 HydrophobicContact CZ2-CG 4.25Å; W89-L112 HydrophobicContact CZ3-CD1 4.19Å; W89-L112 PolarHBondContact NE1-O 3.43Å; W89-S115 PolarHBondContact N-OG 2.54Å; W89-S115 VanDerWaalsContact N-OG 3.17Å; W89-L117 HydrophobicContact CB-CD1 3.9Å; W89-L117 HydrophobicContact CD2-CB 4.01Å; W89-L117 HydrophobicContact CD2-CD1 3.73Å; W89-L117 HydrophobicContact CD2-CD2 4.43Å; W89-L117 HydrophobicContact CD2-CG 4.26Å; W89-L117 HydrophobicContact CE3-CD1 3.76Å; W89-L117 HydrophobicContact CE3-CD2 4.41Å; W89-L117 HydrophobicContact CG-CB 3.91Å; W89-L117 HydrophobicContact CG-CD1 3.8Å; W89-L117 HydrophobicContact CG-CG 4.41Å; W89-L117 HydrophobicContact CH2-CD2 4.44Å; W89-L117 HydrophobicContact CZ2-CD2 4.5Å; W89-L117 HydrophobicContact CZ3-CD1 4.48Å; W89-L117 HydrophobicContact CZ3-CD2 4.4Å; W89-F125 HydrophobicContact CE3-CZ 4.07Å; W89-F125 HydrophobicContact CZ3-CE1 4.22Å; W89-F125 HydrophobicContact CZ3-CZ 4.15Å; W89-L133 HydrophobicContact CH2-CD2 3.87Å; W89-T142 HydrophobicContact CH2-CG2 4.41Å; W89-T142 HydrophobicContact CZ2-CG2 3.71Å
90H95.8Very high96.5Very high90 Ų9038.5 Ų38.542%0.41720%0.202SC..Hα-helixtrans-66.2-39.1175.8-168.660.8000111.7D88 S93 K94D88-H90 PolarHBondContact O-N 2.76Å; D88-H90 VanDerWaalsContact OD1-CB 3.29Å; D88-H90 WeakPolarHBondContact OD1-CB 3.16Å; D88-H90 PolarHBondContact OD1-N 3.01Å; H90-S93 WeakPolarHBondContact O-CB 3.44Å; H90-S93 PolarHBondContact O-N 3.28Å; H90-K94 VanDerWaalsContact CD2-CE 3.46Å; H90-K94 WeakPolarHBondContact CD2-CE 3.37Å; H90-K94 VanDerWaalsContact NE2-CE 3.28Å; H90-K94 WeakPolarHBondContact NE2-CE 3.28Å; H90-K94 WeakPolarHBondContact O-CG 3.46Å; H90-K94 PolarHBondContact O-N 2.85Å
91E96.4Very high96.4Very high30 Ų3042.9 Ų42.914%0.1422%0.221CC..Hα-helixtrans-67.7-38.7175-67.5-59125.900111.7C62 A63 D88 S93 K94 I95C62-E91 WeakPolarHBondContact CA-OE2 3.05Å; C62-E91 HydrophobicContact CB-CG 4.18Å; C62-E91 WeakPolarHBondContact CB-OE2 3.42Å; A63-E91 PolarHBondContact N-OE2 3.25Å; D88-E91 HydrophobicContact CB-CG 4.24Å; D88-E91 PolarHBondContact O-N 3.46Å; D88-E91 VanDerWaalsContact O-N 3.11Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-K94 PolarHBondContact O-N 2.82Å; E91-K94 IonicContact OE1-NZ 3.84Å; E91-K94 PolarHBondContact OE1-NZ 3.43Å; E91-I95 WeakPolarHBondContact O-CG1 3.37Å; E91-I95 PolarHBondContact O-N 3.34Å
92V97.2Very high96.3Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-62-44.4171.8-175.10000110.5L86 D88 W89 K94 I95 V96 L107 L112 F125L86-V92 HydrophobicContact CB-CG2 4.25Å; L86-V92 HydrophobicContact CD1-CG2 4.28Å; L86-V92 HydrophobicContact CD2-CG2 4.5Å; D88-V92 PolarHBondContact O-N 3.14Å; W89-V92 HydrophobicContact CE3-CB 4.42Å; W89-V92 PolarHBondContact O-N 3.05Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 3Å; V92-I95 PolarHBondContact O-N 3.08Å; V92-I95 VanDerWaalsContact O-N 3.12Å; V92-V96 HydrophobicContact CG1-CG2 4.15Å; V92-V96 WeakPolarHBondContact O-CG2 3.46Å; V92-V96 PolarHBondContact O-N 3.08Å; V92-L107 HydrophobicContact CG1-CD1 3.99Å; V92-L107 HydrophobicContact CG1-CD2 3.86Å; V92-L107 HydrophobicContact CG2-CD2 4.35Å; V92-L112 HydrophobicContact CG2-CD2 3.83Å; V92-F125 HydrophobicContact CB-CZ 4.27Å; V92-F125 HydrophobicContact CG1-CE1 3.77Å; V92-F125 HydrophobicContact CG1-CZ 3.66Å
93S96.8Very high96.3Very high11 Ų1147.4 Ų47.48%0.07724%0.24CC..Hα-helixtrans-60.1-39.3179.5-172.30000112.3W89 H90 E91 I95 V96 S97 C121 S124W89-S93 VanDerWaalsContact O-CB 3.31Å; W89-S93 WeakPolarHBondContact O-CB 3.4Å; W89-S93 PolarHBondContact O-N 3.16Å; H90-S93 WeakPolarHBondContact O-CB 3.44Å; H90-S93 PolarHBondContact O-N 3.28Å; E91-S93 VanDerWaalsContact C-N 3.32Å; S93-I95 VanDerWaalsContact C-N 3.32Å; S93-I95 PolarHBondContact O-N 3.47Å; S93-V96 PolarHBondContact O-N 2.98Å; S93-S97 VanDerWaalsContact O-CB 3.22Å; S93-S97 WeakPolarHBondContact O-CB 3.29Å; S93-S97 PolarHBondContact O-N 2.88Å; S93-S97 PolarHBondContact O-OG 2.69Å; S93-C121 PolarHBondContact OG-O 3.39Å; S93-S124 PolarHBondContact OG-OG 2.88Å
94K96.4Very high96.3Very high45 Ų4545 Ų4520%0.19623%0.225CC..Hα-helixtrans-62.9-36.3175.2-73.3174.8-175.8166.20112.9A63 E66 H90 E91 V92 S97 N98A63-K94 HydrophobicContact CB-CB 3.69Å; A63-K94 HydrophobicContact CB-CD 4.26Å; E66-K94 HydrophobicContact CG-CB 4.07Å; E66-K94 HydrophobicContact CG-CD 4.45Å; E66-K94 HydrophobicContact CG-CG 4.27Å; H90-K94 VanDerWaalsContact CD2-CE 3.46Å; H90-K94 WeakPolarHBondContact CD2-CE 3.37Å; H90-K94 VanDerWaalsContact NE2-CE 3.28Å; H90-K94 WeakPolarHBondContact NE2-CE 3.28Å; H90-K94 WeakPolarHBondContact O-CG 3.46Å; H90-K94 PolarHBondContact O-N 2.85Å; E91-K94 PolarHBondContact O-N 2.82Å; E91-K94 IonicContact OE1-NZ 3.84Å; E91-K94 PolarHBondContact OE1-NZ 3.43Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 3Å; K94-S97 PolarHBondContact O-OG 2.84Å; K94-N98 PolarHBondContact O-ND2 2.7Å
95I96.8Very high96.4Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-67.9-56.6174.9-60.8166.5000108.5F9 A63 I69 L79 L81 E91 V92 S93 S97 N98 V99F9-I95 HydrophobicContact CB-CD1 3.73Å; F9-I95 HydrophobicContact CB-CG1 4.17Å; F9-I95 HydrophobicContact CD1-CG1 4.44Å; F9-I95 HydrophobicContact CD1-CG2 4.43Å; F9-I95 HydrophobicContact CD2-CD1 4.01Å; F9-I95 HydrophobicContact CD2-CG1 4.48Å; F9-I95 HydrophobicContact CD2-CG2 4.14Å; F9-I95 HydrophobicContact CE1-CG2 4.33Å; F9-I95 HydrophobicContact CE2-CG2 3.99Å; F9-I95 HydrophobicContact CG-CD1 3.92Å; F9-I95 HydrophobicContact CG-CG1 4.12Å; F9-I95 HydrophobicContact CG-CG2 4.35Å; F9-I95 HydrophobicContact CZ-CG2 4.11Å; A63-I95 HydrophobicContact CB-CD1 4.37Å; A63-I95 HydrophobicContact CB-CG1 3.64Å; I69-I95 HydrophobicContact CD1-CG1 4.28Å; L79-I95 HydrophobicContact CD2-CG2 3.8Å; L81-I95 HydrophobicContact CD1-CD1 4.14Å; E91-I95 WeakPolarHBondContact O-CG1 3.37Å; E91-I95 PolarHBondContact O-N 3.34Å; V92-I95 PolarHBondContact O-N 3.08Å; V92-I95 VanDerWaalsContact O-N 3.12Å; S93-I95 VanDerWaalsContact C-N 3.32Å; S93-I95 PolarHBondContact O-N 3.47Å; I95-S97 PolarHBondContact O-N 3.5Å; I95-N98 PolarHBondContact O-N 2.98Å; I95-N98 VanDerWaalsContact O-N 3.14Å; I95-V99 WeakPolarHBondContact O-CG2 3.18Å
96V96.3Very high96.4Very high4 Ų439.6 Ų39.62%0.02420%0.202CC..Hα-helixtrans-65.3-37.2-171.3177.50000112.7V92 S93 N98 V99 L102 L105 S124 F125V92-V96 HydrophobicContact CG1-CG2 4.15Å; V92-V96 WeakPolarHBondContact O-CG2 3.46Å; V92-V96 PolarHBondContact O-N 3.08Å; S93-V96 PolarHBondContact O-N 2.98Å; V96-N98 PolarHBondContact O-N 3.02Å; V96-N98 VanDerWaalsContact O-N 3.15Å; V96-V99 PolarHBondContact O-N 2.85Å; V96-L102 HydrophobicContact CB-CD2 4.47Å; V96-L102 HydrophobicContact CG1-CD2 3.89Å; V96-L102 HydrophobicContact CG2-CD2 4.08Å; V96-L105 HydrophobicContact CG2-CD2 3.85Å; V96-S124 WeakPolarHBondContact CG1-O 3.13Å; V96-F125 HydrophobicContact CG1-CD1 4.14Å; V96-F125 HydrophobicContact CG1-CG 4.14Å; V96-F125 HydrophobicContact CG2-CD1 4.25Å; V96-F125 HydrophobicContact CG2-CE1 3.95Å; V96-F125 HydrophobicContact CG2-CZ 4.36Å
97S95.4Very high96.5Very high54 Ų5439.6 Ų39.638%0.37820%0.202SC..THydrogen-bonded Turntrans-61-24177.361.80000113.4S93 K94 I95S93-S97 VanDerWaalsContact O-CB 3.22Å; S93-S97 WeakPolarHBondContact O-CB 3.29Å; S93-S97 PolarHBondContact O-N 2.88Å; S93-S97 PolarHBondContact O-OG 2.69Å; K94-S97 PolarHBondContact O-OG 2.84Å; I95-S97 PolarHBondContact O-N 3.5Å
98N95.6Very high96.7Very high31 Ų3135 Ų3517%0.16618%0.182CC..THydrogen-bonded Turntrans-99.39.7179.3-69.5-69.3000112.8E66 I69 A70 K94 I95 V96E66-N98 PolarHBondContact OE2-ND2 2.88Å; I69-N98 HydrophobicContact CB-CB 4.03Å; I69-N98 HydrophobicContact CG2-CB 3.64Å; A70-N98 HydrophobicContact CB-CB 4.09Å; K94-N98 PolarHBondContact O-ND2 2.7Å; I95-N98 PolarHBondContact O-N 2.98Å; I95-N98 VanDerWaalsContact O-N 3.14Å; V96-N98 PolarHBondContact O-N 3.02Å; V96-N98 VanDerWaalsContact O-N 3.15Å
99V95.3Very high96.8Very high5 Ų533.8 Ų33.83%0.0318%0.179CC..  trans-121.377.9173.6-168.40000109.7C73 V76 I95 V96 H101 L102C73-V99 HydrophobicContact CB-CG2 3.79Å; V76-V99 HydrophobicContact CB-CG1 3.74Å; V76-V99 HydrophobicContact CG1-CG1 3.93Å; V76-V99 VanDerWaalsContact O-CG1 3.23Å; V76-V99 WeakPolarHBondContact O-CG1 3.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.18Å; V96-V99 PolarHBondContact O-N 2.85Å; V99-H101 PolarHBondContact O-N 3.05Å; V99-H101 VanDerWaalsContact O-N 3.11Å; V99-L102 HydrophobicContact CB-CB 4.2Å; V99-L102 HydrophobicContact CG1-CB 3.85Å; V99-L102 HydrophobicContact CG1-CD1 4.04Å; V99-L102 HydrophobicContact CG1-CG 4.46Å; V99-L102 WeakPolarHBondContact O-CB 3.09Å; V99-L102 PolarHBondContact O-N 2.7Å
100P93.3Very high96.9Very high88 Ų8833.7 Ų33.757%0.57118%0.179SC*.THydrogen-bonded Turntrans-69.5-13.4-16628.3-36.9000115.1
101H94.9Very high96.9Very high124 Ų12431.3 Ų31.357%0.57417%0.171SC*.THydrogen-bonded Turntrans-10916.4-179.8-61.4-46.3000112.9A74 V76 S77 V99 E103A74-H101 PolarHBondContact O-CD2 2.81Å; V76-H101 CarbonylContact O-C 3.48Å; S77-H101 WeakPolarHBondContact CA-O 3.24Å; V99-H101 PolarHBondContact O-N 3.05Å; V99-H101 VanDerWaalsContact O-N 3.11Å; H101-E103 PolarHBondContact O-N 2.9Å
102L97.4Very high96.8Very high5 Ų530 Ų303%0.02617%0.165CC..  trans-69.5115.9-176.6-168.271.6000111.9L79 V96 V99 F104 L105 G127 V128L79-L102 HydrophobicContact CB-CD1 3.58Å; V96-L102 HydrophobicContact CB-CD2 4.47Å; V96-L102 HydrophobicContact CG1-CD2 3.89Å; V96-L102 HydrophobicContact CG2-CD2 4.08Å; V99-L102 HydrophobicContact CB-CB 4.2Å; V99-L102 HydrophobicContact CG1-CB 3.85Å; V99-L102 HydrophobicContact CG1-CD1 4.04Å; V99-L102 HydrophobicContact CG1-CG 4.46Å; V99-L102 WeakPolarHBondContact O-CB 3.09Å; V99-L102 PolarHBondContact O-N 2.7Å; L102-F104 WeakPolarHBondContact CD1-O 3.17Å; L102-L105 HydrophobicContact CD2-CB 4.16Å; L102-L105 HydrophobicContact CD2-CD1 4.31Å; L102-L105 HydrophobicContact CD2-CD2 4.43Å; L102-G127 CarbonylContact O-C 3.59Å; L102-G127 VanDerWaalsContact O-C 3.25Å; L102-V128 HydrophobicContact CD2-CG2 4.1Å; L102-V128 HydrophobicContact CG-CG2 4.34Å; L102-V128 PolarHBondContact O-N 3.15Å
103E98Very high96.5Very high107 Ų10733 Ų3350%0.519%0.186SC..  trans-106.7-31.3177-65.9-175.7171.300112.2S77 H101 R129 K130S77-E103 PolarHBondContact O-N 3.43Å; H101-E103 PolarHBondContact O-N 2.9Å; E103-R129 PolarHBondContact O-N 3.31Å; E103-K130 PolarHBondContact O-N 2.75Å
104F98.6Very high96.2Very high38 Ų3838.1 Ų38.117%0.16721%0.212CC..EExtended strand (participates in β ladder)trans-117.1127.7178.5174.2-100.8000111.5S77 E78 L79 L102 N106 K130 V132S77-F104 PolarHBondContact O-N 2.76Å; E78-F104 HydrophobicContact CB-CB 3.95Å; E78-F104 HydrophobicContact CB-CD1 3.97Å; E78-F104 HydrophobicContact CB-CG 4.39Å; E78-F104 HydrophobicContact CG-CB 3.79Å; L79-F104 PolarHBondContact N-O 3.48Å; L102-F104 WeakPolarHBondContact CD1-O 3.17Å; F104-N106 HydrophobicContact CE1-CB 3.84Å; F104-N106 HydrophobicContact CZ-CB 3.72Å; F104-K130 WeakPolarHBondContact CA-O 3.44Å; F104-K130 HydrophobicContact CD2-CB 3.9Å; F104-K130 HydrophobicContact CD2-CD 3.52Å; F104-K130 HydrophobicContact CD2-CG 3.49Å; F104-K130 VanDerWaalsContact CD2-CG 3.49Å; F104-K130 HydrophobicContact CE2-CD 3.77Å; F104-K130 HydrophobicContact CE2-CG 3.81Å; F104-V132 HydrophobicContact CE2-CG2 3.71Å; F104-V132 HydrophobicContact CZ-CG2 4.08Å
105L98.6Very high96Very high0 Ų037.3 Ų37.30%021%0.212CC..EExtended strand (participates in β ladder)trans-133121.9174.2-179.359.4000111.2L79 V96 L102 L107 F125 V128 K130 L131 V132L79-L105 HydrophobicContact CB-CD1 4.26Å; L79-L105 HydrophobicContact CD2-CD1 4.27Å; L79-L105 HydrophobicContact CG-CD1 4.37Å; L79-L105 WeakPolarHBondContact O-CA 3.49Å; V96-L105 HydrophobicContact CG2-CD2 3.85Å; L102-L105 HydrophobicContact CD2-CB 4.16Å; L102-L105 HydrophobicContact CD2-CD1 4.31Å; L102-L105 HydrophobicContact CD2-CD2 4.43Å; L105-L107 HydrophobicContact CD1-CD2 4.24Å; L105-L107 HydrophobicContact CD1-CG 4.15Å; L105-L107 HydrophobicContact CD2-CD1 3.81Å; L105-L107 HydrophobicContact CD2-CG 4.15Å; L105-L107 HydrophobicContact CG-CD1 4.11Å; L105-L107 HydrophobicContact CG-CG 3.93Å; L105-F125 HydrophobicContact CD2-CD1 3.59Å; L105-F125 HydrophobicContact CD2-CE1 3.58Å; L105-V128 HydrophobicContact CB-CG1 4.18Å; L105-V128 HydrophobicContact CB-CG2 4.31Å; L105-K130 PolarHBondContact N-O 2.88Å; L105-L131 HydrophobicContact CB-CD1 4.13Å; L105-L131 HydrophobicContact CD2-CD1 4.12Å; L105-L131 HydrophobicContact CG-CD1 4.15Å; L105-L131 WeakPolarHBondContact O-CA 3.24Å; L105-V132 PolarHBondContact O-N 2.78Å
106N98.8Very high95.8Very high19 Ų1942.3 Ų42.310%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-110.6117172-1778.4000111.1L79 D80 L81 S82 F104 S108 V132L79-N106 PolarHBondContact O-N 3.16Å; D80-N106 HydrophobicContact CB-CB 4.35Å; D80-N106 PolarHBondContact OD1-ND2 3.39Å; D80-N106 VanDerWaalsContact OD1-ND2 3.13Å; D80-N106 PolarHBondContact OD2-ND2 3.3Å; L81-N106 CarbonylContact C-O 3.51Å; L81-N106 WeakPolarHBondContact CA-O 3.4Å; L81-N106 PolarHBondContact N-O 3.24Å; S82-N106 PolarHBondContact N-O 3.31Å; F104-N106 HydrophobicContact CE1-CB 3.84Å; F104-N106 HydrophobicContact CZ-CB 3.72Å; N106-S108 WeakPolarHBondContact OD1-CB 3.21Å; N106-S108 PolarHBondContact OD1-N 2.88Å; N106-S108 PolarHBondContact OD1-OG 3.41Å; N106-V132 HydrophobicContact CB-CB 4.09Å; N106-V132 HydrophobicContact CB-CG2 4.31Å; N106-V132 WeakPolarHBondContact OD1-CB 3.47Å
107L98.5Very high95.8Very high0 Ų042.4 Ų42.40%024%0.243CC..  trans-116.613.8179.3-69.6169.2000112.3L81 L86 W89 V92 L105 N110 L112 F125 L131 V132 L133L81-L107 HydrophobicContact CB-CD2 4.17Å; L81-L107 HydrophobicContact CD1-CD2 4.11Å; L86-L107 HydrophobicContact CD1-CD2 4.49Å; W89-L107 HydrophobicContact CH2-CD1 4.08Å; W89-L107 HydrophobicContact CZ3-CD1 3.73Å; V92-L107 HydrophobicContact CG1-CD1 3.99Å; V92-L107 HydrophobicContact CG1-CD2 3.86Å; V92-L107 HydrophobicContact CG2-CD2 4.35Å; L105-L107 HydrophobicContact CD1-CD2 4.24Å; L105-L107 HydrophobicContact CD1-CG 4.15Å; L105-L107 HydrophobicContact CD2-CD1 3.81Å; L105-L107 HydrophobicContact CD2-CG 4.15Å; L105-L107 HydrophobicContact CG-CD1 4.11Å; L105-L107 HydrophobicContact CG-CG 3.93Å; L107-N110 PolarHBondContact O-N 2.63Å; L107-N110 PolarHBondContact O-ND2 3.33Å; L107-L112 HydrophobicContact CB-CD1 3.89Å; L107-L112 HydrophobicContact CD1-CD1 4.1Å; L107-L112 HydrophobicContact CD2-CD1 4.43Å; L107-L112 HydrophobicContact CG-CD1 4.37Å; L107-F125 HydrophobicContact CD1-CE1 4.42Å; L107-L131 HydrophobicContact CD1-CD1 4.41Å; L107-V132 PolarHBondContact N-O 3.16Å; L107-L133 HydrophobicContact CB-CD2 3.81Å; L107-L133 HydrophobicContact CD1-CD2 4.1Å
108S98.6Very high95.7Very high11 Ų1145.7 Ų45.78%0.07725%0.252CS..THydrogen-bonded Turntrans-54.9146-174.4-590000112.5S82 D83 N106 N110 V132 N134S82-S108 CarbonylContact C-O 3.45Å; S82-S108 WeakPolarHBondContact CA-O 3.47Å; S82-S108 WeakPolarHBondContact CB-O 3.48Å; D83-S108 PolarHBondContact N-O 3.48Å; N106-S108 WeakPolarHBondContact OD1-CB 3.21Å; N106-S108 PolarHBondContact OD1-N 2.88Å; N106-S108 PolarHBondContact OD1-OG 3.41Å; S108-N110 PolarHBondContact O-N 2.79Å; S108-N110 PolarHBondContact O-ND2 3.29Å; S108-V132 PolarHBondContact N-O 3.19Å; S108-V132 WeakPolarHBondContact OG-CG1 3.48Å; S108-N134 CarbonylContact C-O 3.52Å; S108-N134 WeakPolarHBondContact CA-O 3.28Å; S108-N134 VanDerWaalsContact CB-O 3.24Å; S108-N134 WeakPolarHBondContact CB-O 3.43Å; S108-N134 PolarHBondContact OG-N 3.33Å
109S98.1Very high95.6Very high43 Ų4351.1 Ų51.130%0.30127%0.27SS..THydrogen-bonded Turntrans57.327.9177.2-530000114.8N134 N135S109-N134 PolarHBondContact N-O 3.18Å; S109-N135 WeakPolarHBondContact CA-O 3.26Å; S109-N135 PolarHBondContact OG-ND2 3.45Å
110N97.8Very high95.3Very high3 Ų361.5 Ų61.52%0.01631%0.309CS..  trans-98.1145.7163.5-75.7-87.5000110.6L81 N84 K85 L86 L107 S108 L112L81-N110 PolarHBondContact O-ND2 2.95Å; N84-N110 VanDerWaalsContact CA-OD1 3.27Å; N84-N110 WeakPolarHBondContact CA-OD1 3.42Å; N84-N110 WeakPolarHBondContact CB-OD1 3.41Å; N84-N110 PolarHBondContact N-OD1 3.01Å; N84-N110 PolarHBondContact O-OD1 2.83Å; K85-N110 PolarHBondContact N-OD1 3.14Å; L86-N110 HydrophobicContact CB-CB 4.27Å; L86-N110 WeakPolarHBondContact CB-OD1 3.43Å; L86-N110 PolarHBondContact N-OD1 2.99Å; L86-N110 VanDerWaalsContact N-OD1 3.1Å; L107-N110 PolarHBondContact O-N 2.63Å; L107-N110 PolarHBondContact O-ND2 3.33Å; S108-N110 PolarHBondContact O-N 2.79Å; S108-N110 PolarHBondContact O-ND2 3.29Å; N110-L112 HydrophobicContact CB-CD1 4.05Å; N110-L112 HydrophobicContact CB-CG 3.88Å; N110-L112 PolarHBondContact O-N 3.18Å
111P96Very high95.3Very high39 Ų3957.9 Ų57.925%0.25329%0.286SS..  trans-73.142.2178.332.8-39.2000114.2L86 E87 S113 L114L86-P111 WeakPolarHBondContact O-CD 3.3Å; E87-P111 HydrophobicContact CB-CG 4.34Å; E87-P111 HydrophobicContact CG-CB 4.03Å; E87-P111 HydrophobicContact CG-CG 3.37Å; P111-S113 PolarHBondContact O-N 3.19Å; P111-S113 VanDerWaalsContact O-N 3.16Å; P111-L114 HydrophobicContact CB-CD1 4.03Å; P111-L114 HydrophobicContact CB-CG 4.4Å; P111-L114 WeakPolarHBondContact O-CB 3.34Å; P111-L114 WeakPolarHBondContact O-CG 3.39Å; P111-L114 PolarHBondContact O-N 3.38Å; P111-L114 VanDerWaalsContact O-N 3.17Å
112L93.9Very high95.2Very high2 Ų252 Ų521%0.0126%0.258CS..G310 helixtrans-68.8-12.6-175.7-69.4168.4000113.8L86 W89 V92 L107 N110 L114 S115 L133L86-L112 HydrophobicContact CB-CD2 4.32Å; L86-L112 VanDerWaalsContact O-CD2 3.31Å; L86-L112 WeakPolarHBondContact O-CD2 3.46Å; W89-L112 HydrophobicContact CD2-CD2 4.11Å; W89-L112 HydrophobicContact CE3-CD2 4.43Å; W89-L112 HydrophobicContact CG-CD2 4.48Å; W89-L112 HydrophobicContact CH2-CD1 3.79Å; W89-L112 HydrophobicContact CZ2-CB 3.81Å; W89-L112 HydrophobicContact CZ2-CD1 3.83Å; W89-L112 HydrophobicContact CZ2-CD2 4.48Å; W89-L112 HydrophobicContact CZ2-CG 4.25Å; W89-L112 HydrophobicContact CZ3-CD1 4.19Å; W89-L112 PolarHBondContact NE1-O 3.43Å; V92-L112 HydrophobicContact CG2-CD2 3.83Å; L107-L112 HydrophobicContact CB-CD1 3.89Å; L107-L112 HydrophobicContact CD1-CD1 4.1Å; L107-L112 HydrophobicContact CD2-CD1 4.43Å; L107-L112 HydrophobicContact CG-CD1 4.37Å; N110-L112 HydrophobicContact CB-CD1 4.05Å; N110-L112 HydrophobicContact CB-CG 3.88Å; N110-L112 PolarHBondContact O-N 3.18Å; L112-L114 PolarHBondContact O-N 3.47Å; L112-S115 PolarHBondContact O-N 3.18Å; L112-S115 VanDerWaalsContact O-O 3.08Å; L112-L133 HydrophobicContact CD1-CD2 4.47Å
113S91.4Very high94.9Very high63 Ų6353.1 Ų53.144%0.44127%0.271SS..G310 helixtrans-68.6-11.8172.464.30000113.6P111 S115 K137P111-S113 PolarHBondContact O-N 3.19Å; P111-S113 VanDerWaalsContact O-N 3.16Å; S113-S115 VanDerWaalsContact C-N 3.31Å; S113-K137 WeakPolarHBondContact CB-O 3.34Å
114L89.6Confident94.7Very high120 Ų12049.9 Ų49.963%0.62826%0.261SS*.G310 helixtrans-79.4-13.2178.2-61.5-178.3000113.2E87 P111 L112E87-L114 HydrophobicContact CB-CD1 4.47Å; E87-L114 HydrophobicContact CG-CD1 4Å; P111-L114 HydrophobicContact CB-CD1 4.03Å; P111-L114 HydrophobicContact CB-CG 4.4Å; P111-L114 WeakPolarHBondContact O-CB 3.34Å; P111-L114 WeakPolarHBondContact O-CG 3.39Å; P111-L114 PolarHBondContact O-N 3.38Å; P111-L114 VanDerWaalsContact O-N 3.17Å; L112-L114 PolarHBondContact O-N 3.47Å
115S92.8Very high94.4Very high28 Ų2848.4 Ų48.420%0.19625%0.254CS..SBendtrans-127.3154.2175.862.70000111.6E87 D88 W89 L112 S113E87-S115 VanDerWaalsContact O-CB 3.28Å; E87-S115 WeakPolarHBondContact O-CB 3.49Å; E87-S115 PolarHBondContact O-OG 3.11Å; D88-S115 WeakPolarHBondContact CA-OG 3.41Å; W89-S115 PolarHBondContact N-OG 2.54Å; W89-S115 VanDerWaalsContact N-OG 3.17Å; L112-S115 PolarHBondContact O-N 3.18Å; L112-S115 VanDerWaalsContact O-O 3.08Å; S113-S115 VanDerWaalsContact C-N 3.31Å
116V93.4Very high94.2Very high105 Ų10550.4 Ų50.464%0.63627%0.271SS*.  trans-87.9128.8176.3177.50000108.8E118V116-E118 PolarHBondContact O-N 2.83Å; V116-E118 VanDerWaalsContact O-N 3.11Å
117L95.2Very high94Very high6 Ų651.7 Ų51.73%0.03129%0.289CS..  trans-73.2102.3171.7178.156.8000109.6W89 C121 A122 T142 T145 I146W89-L117 HydrophobicContact CB-CD1 3.9Å; W89-L117 HydrophobicContact CD2-CB 4.01Å; W89-L117 HydrophobicContact CD2-CD1 3.73Å; W89-L117 HydrophobicContact CD2-CD2 4.43Å; W89-L117 HydrophobicContact CD2-CG 4.26Å; W89-L117 HydrophobicContact CE3-CD1 3.76Å; W89-L117 HydrophobicContact CE3-CD2 4.41Å; W89-L117 HydrophobicContact CG-CB 3.91Å; W89-L117 HydrophobicContact CG-CD1 3.8Å; W89-L117 HydrophobicContact CG-CG 4.41Å; W89-L117 HydrophobicContact CH2-CD2 4.44Å; W89-L117 HydrophobicContact CZ2-CD2 4.5Å; W89-L117 HydrophobicContact CZ3-CD1 4.48Å; W89-L117 HydrophobicContact CZ3-CD2 4.4Å; L117-C121 HydrophobicContact CD1-CB 4.02Å; L117-A122 HydrophobicContact CD1-CB 3.92Å; L117-A122 HydrophobicContact CD2-CB 4.04Å; L117-A122 HydrophobicContact CG-CB 3.97Å; L117-T142 HydrophobicContact CB-CG2 4.01Å; L117-T142 HydrophobicContact CD2-CG2 3.88Å; L117-T145 HydrophobicContact CD2-CG2 4.34Å; L117-T145 HydrophobicContact CG-CG2 4.09Å; L117-I146 HydrophobicContact CD2-CD1 4.16Å; L117-I146 HydrophobicContact CD2-CG1 3.65Å
118E94.3Very high93.9Very high123 Ų12351.8 Ų51.858%0.57529%0.289SS*.  trans-72.5145.6172.4-63.5-171.6173.300111.5V116 R120 C121 A122V116-E118 PolarHBondContact O-N 2.83Å; V116-E118 VanDerWaalsContact O-N 3.11Å; E118-R120 PolarHBondContact O-N 3.36Å; E118-R120 VanDerWaalsContact O-N 3.17Å; E118-C121 WeakPolarHBondContact O-CB 3.38Å; E118-C121 PolarHBondContact O-N 3.47Å; E118-A122 PolarHBondContact O-N 2.86Å
119R92.6Very high93.9Very high144 Ų14455.4 Ų55.454%0.54330%0.301SS..Hα-helixtrans-51.3-41.7177.6-169.6-178.5-74.8121.63.5113.4C121 A122 G123 E149R119-C121 VanDerWaalsContact C-N 3.32Å; R119-C121 PolarHBondContact O-N 3.43Å; R119-A122 PolarHBondContact O-N 3.11Å; R119-G123 PolarHBondContact O-N 3.27Å; R119-E149 WeakPolarHBondContact CD-OE1 3.43Å; R119-E149 HydrophobicContact CG-CG 3.68Å; R119-E149 WeakPolarHBondContact CG-OE1 3.48Å; R119-E149 IonicContact NE-OE1 2.61Å
120R90.2Very high93.9Very high223 Ų22356.4 Ų56.484%0.84230%0.3SS*.Hα-helixtrans-63.2-39179.7-65-173.9-161.4-112.73.8112.2E118E118-R120 PolarHBondContact O-N 3.36Å; E118-R120 VanDerWaalsContact O-N 3.17Å
121C92.1Very high94Very high12 Ų1256.3 Ų56.38%0.08130%0.3CS..Hα-helixtrans-66.6-49.2175.4-670000109.6S93 L117 E118 R119 G123 S124 F125S93-C121 PolarHBondContact OG-O 3.39Å; L117-C121 HydrophobicContact CD1-CB 4.02Å; E118-C121 WeakPolarHBondContact O-CB 3.38Å; E118-C121 PolarHBondContact O-N 3.47Å; R119-C121 VanDerWaalsContact C-N 3.32Å; R119-C121 PolarHBondContact O-N 3.43Å; C121-G123 PolarHBondContact O-N 2.98Å; C121-S124 VanDerWaalsContact O-CB 3.29Å; C121-S124 WeakPolarHBondContact O-CB 3.34Å; C121-S124 PolarHBondContact O-N 3.08Å; C121-S124 PolarHBondContact O-OG 3.01Å; C121-F125 WeakPolarHBondContact O-CD2 3.19Å; C121-F125 WeakPolarHBondContact O-CE2 3.33Å
122A92.8Very high94.1Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-58.5-31.8179.500000113.8L117 E118 R119 S124 F125 T145 E149L117-A122 HydrophobicContact CD1-CB 3.92Å; L117-A122 HydrophobicContact CD2-CB 4.04Å; L117-A122 HydrophobicContact CG-CB 3.97Å; E118-A122 PolarHBondContact O-N 2.86Å; R119-A122 PolarHBondContact O-N 3.11Å; A122-S124 PolarHBondContact O-N 2.6Å; A122-S124 VanDerWaalsContact O-N 3.17Å; A122-F125 WeakPolarHBondContact O-CB 3.04Å; A122-F125 VanDerWaalsContact O-CD2 3.28Å; A122-F125 WeakPolarHBondContact O-CD2 3.48Å; A122-F125 PolarHBondContact O-N 2.63Å; A122-T145 HydrophobicContact CB-CG2 3.77Å; A122-E149 HydrophobicContact CB-CB 3.85Å; A122-E149 HydrophobicContact CB-CG 3.78Å
123G92.6Very high94.3Very high29 Ų2954.9 Ų54.930%0.29929%0.29SS..G310 helixtrans-58.7-25.1173.900000114.4R119 C121 F125 A126R119-G123 PolarHBondContact O-N 3.27Å; C121-G123 PolarHBondContact O-N 2.98Å; G123-F125 PolarHBondContact O-N 3.19Å; G123-A126 WeakPolarHBondContact O-CB 3.46Å; G123-A126 PolarHBondContact O-N 3.25Å
124S92.9Very high94.7Very high40 Ų4053.5 Ų53.528%0.2828%0.278SS..G310 helixtrans-65.4-19.1175.3-53.60000112.9S93 V96 C121 A122S93-S124 PolarHBondContact OG-OG 2.88Å; V96-S124 WeakPolarHBondContact CG1-O 3.13Å; C121-S124 VanDerWaalsContact O-CB 3.29Å; C121-S124 WeakPolarHBondContact O-CB 3.34Å; C121-S124 PolarHBondContact O-N 3.08Å; C121-S124 PolarHBondContact O-OG 3.01Å; A122-S124 PolarHBondContact O-N 2.6Å; A122-S124 VanDerWaalsContact O-N 3.17Å
125F93Very high95.1Very high6 Ų650.9 Ų50.93%0.02626%0.264CS..G310 helixtrans-94.45.4-174-57.1-115.4000112.1W89 V92 V96 L105 L107 C121 A122 G123 G127 V128 L150W89-F125 HydrophobicContact CE3-CZ 4.07Å; W89-F125 HydrophobicContact CZ3-CE1 4.22Å; W89-F125 HydrophobicContact CZ3-CZ 4.15Å; V92-F125 HydrophobicContact CB-CZ 4.27Å; V92-F125 HydrophobicContact CG1-CE1 3.77Å; V92-F125 HydrophobicContact CG1-CZ 3.66Å; V96-F125 HydrophobicContact CG1-CD1 4.14Å; V96-F125 HydrophobicContact CG1-CG 4.14Å; V96-F125 HydrophobicContact CG2-CD1 4.25Å; V96-F125 HydrophobicContact CG2-CE1 3.95Å; V96-F125 HydrophobicContact CG2-CZ 4.36Å; L105-F125 HydrophobicContact CD2-CD1 3.59Å; L105-F125 HydrophobicContact CD2-CE1 3.58Å; L107-F125 HydrophobicContact CD1-CE1 4.42Å; C121-F125 WeakPolarHBondContact O-CD2 3.19Å; C121-F125 WeakPolarHBondContact O-CE2 3.33Å; A122-F125 WeakPolarHBondContact O-CB 3.04Å; A122-F125 VanDerWaalsContact O-CD2 3.28Å; A122-F125 WeakPolarHBondContact O-CD2 3.48Å; A122-F125 PolarHBondContact O-N 2.63Å; G123-F125 PolarHBondContact O-N 3.19Å; F125-G127 PolarHBondContact O-N 2.96Å; F125-V128 HydrophobicContact CB-CG2 4.3Å; F125-V128 VanDerWaalsContact O-CB 3.29Å; F125-V128 WeakPolarHBondContact O-CB 3.44Å; F125-V128 WeakPolarHBondContact O-CG2 3.4Å; F125-V128 PolarHBondContact O-N 3.27Å; F125-L150 HydrophobicContact CB-CD1 3.77Å; F125-L150 HydrophobicContact CB-CD2 4.04Å; F125-L150 HydrophobicContact CB-CG 4.02Å; F125-L150 WeakPolarHBondContact O-CG 3.22Å
126A93.1Very high95.2Very high42 Ų4249.6 Ų49.635%0.34726%0.256SS..THydrogen-bonded Turntrans-56.6-24.6-169.600000115.1G123G123-A126 WeakPolarHBondContact O-CB 3.46Å; G123-A126 PolarHBondContact O-N 3.25Å
127G94.3Very high95.3Very high47 Ų4748.4 Ų48.449%0.48524%0.242SC..THydrogen-bonded Turntrans-81.2-11.7175.900000115.2L102 F125 R129L102-G127 CarbonylContact O-C 3.59Å; L102-G127 VanDerWaalsContact O-C 3.25Å; F125-G127 PolarHBondContact O-N 2.96Å; G127-R129 PolarHBondContact O-N 3.48Å
128V97.6Very high95.3Very high1 Ų148.3 Ų48.31%0.00624%0.242CC..  trans-72.9121.8-175.2176.40000110.4L102 L105 F125 K130 L131 L150 L153L102-V128 HydrophobicContact CD2-CG2 4.1Å; L102-V128 HydrophobicContact CG-CG2 4.34Å; L102-V128 PolarHBondContact O-N 3.15Å; L105-V128 HydrophobicContact CB-CG1 4.18Å; L105-V128 HydrophobicContact CB-CG2 4.31Å; F125-V128 HydrophobicContact CB-CG2 4.3Å; F125-V128 VanDerWaalsContact O-CB 3.29Å; F125-V128 WeakPolarHBondContact O-CB 3.44Å; F125-V128 WeakPolarHBondContact O-CG2 3.4Å; F125-V128 PolarHBondContact O-N 3.27Å; V128-K130 WeakPolarHBondContact CG1-O 3.42Å; V128-L131 HydrophobicContact CG1-CB 4.19Å; V128-L150 HydrophobicContact CB-CD2 3.97Å; V128-L150 HydrophobicContact CG1-CD2 4.33Å; V128-L153 HydrophobicContact CG1-CD1 4.48Å
129R98.3Very high95.4Very high88 Ų8844.9 Ų44.933%0.33223%0.232SC..SBendtrans-96.4-26.7176.1-65-174.1176.8-79.7-18.2112.7E103 G127 E154 E155E103-R129 PolarHBondContact O-N 3.31Å; G127-R129 PolarHBondContact O-N 3.48Å; R129-E154 IonicContact CZ-OE1 3.68Å; R129-E154 IonicContact NH1-OE1 3.21Å; R129-E154 PolarHBondContact NH1-OE1 2.81Å; R129-E154 WeakPolarHBondContact O-CA 2.83Å; R129-E154 PolarHBondContact O-N 2.99Å; R129-E155 PolarHBondContact O-N 3.23Å
130K98.8Very high95.6Very high63 Ų6339.2 Ų39.227%0.27421%0.21SC..EExtended strand (participates in β ladder)trans-131.1116.8179.6178.2169.3178.2148.40111E103 F104 L105 V128 E155 F157E103-K130 PolarHBondContact O-N 2.75Å; F104-K130 WeakPolarHBondContact CA-O 3.44Å; F104-K130 HydrophobicContact CD2-CB 3.9Å; F104-K130 HydrophobicContact CD2-CD 3.52Å; F104-K130 HydrophobicContact CD2-CG 3.49Å; F104-K130 VanDerWaalsContact CD2-CG 3.49Å; F104-K130 HydrophobicContact CE2-CD 3.77Å; F104-K130 HydrophobicContact CE2-CG 3.81Å; L105-K130 PolarHBondContact N-O 2.88Å; V128-K130 WeakPolarHBondContact CG1-O 3.42Å; K130-E155 WeakPolarHBondContact CA-O 3.44Å; K130-E155 HydrophobicContact CB-CB 4.21Å; K130-E155 HydrophobicContact CD-CB 4.34Å; K130-E155 VanDerWaalsContact CD-OE2 3.24Å; K130-E155 WeakPolarHBondContact CD-OE2 3.19Å; K130-E155 WeakPolarHBondContact CE-OE2 3.42Å; K130-E155 HydrophobicContact CG-CB 3.94Å; K130-E155 IonicContact NZ-OE2 2.86Å; K130-E155 PolarHBondContact NZ-OE2 2.78Å; K130-F157 HydrophobicContact CD-CE2 4.27Å; K130-F157 HydrophobicContact CG-CE2 4.05Å
131L98.7Very high95.8Very high2 Ų234.7 Ų34.71%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-120.6127.5-177.8-177.861.5000111.1L105 L107 V128 L133 I146 L150 L153 E155 L156 F157L105-L131 HydrophobicContact CB-CD1 4.13Å; L105-L131 HydrophobicContact CD2-CD1 4.12Å; L105-L131 HydrophobicContact CG-CD1 4.15Å; L105-L131 WeakPolarHBondContact O-CA 3.24Å; L107-L131 HydrophobicContact CD1-CD1 4.41Å; V128-L131 HydrophobicContact CG1-CB 4.19Å; L131-L133 HydrophobicContact CD1-CG 4.36Å; L131-L133 HydrophobicContact CD2-CD1 3.82Å; L131-L133 HydrophobicContact CD2-CG 4.31Å; L131-L133 HydrophobicContact CG-CD1 4.12Å; L131-L133 HydrophobicContact CG-CG 4.07Å; L131-I146 HydrophobicContact CD2-CD1 3.8Å; L131-I146 HydrophobicContact CD2-CG1 4.26Å; L131-I146 HydrophobicContact CD2-CG2 3.75Å; L131-L150 HydrophobicContact CD2-CD2 4.4Å; L131-L153 HydrophobicContact CB-CD1 3.78Å; L131-E155 PolarHBondContact N-O 2.87Å; L131-L156 HydrophobicContact CB-CD1 4.26Å; L131-L156 HydrophobicContact CD2-CD1 4.33Å; L131-L156 HydrophobicContact CG-CD1 4.37Å; L131-L156 WeakPolarHBondContact O-CA 3.43Å; L131-F157 PolarHBondContact O-N 3.03Å
132V98.8Very high96Very high11 Ų1134.6 Ų34.67%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-115.9116.1178.8-166.30000110.2F104 L105 N106 L107 S108 N134 F157F104-V132 HydrophobicContact CE2-CG2 3.71Å; F104-V132 HydrophobicContact CZ-CG2 4.08Å; L105-V132 PolarHBondContact O-N 2.78Å; N106-V132 HydrophobicContact CB-CB 4.09Å; N106-V132 HydrophobicContact CB-CG2 4.31Å; N106-V132 WeakPolarHBondContact OD1-CB 3.47Å; L107-V132 PolarHBondContact N-O 3.16Å; S108-V132 PolarHBondContact N-O 3.19Å; S108-V132 WeakPolarHBondContact OG-CG1 3.48Å; V132-N134 HydrophobicContact CG1-CB 4.48Å; V132-N134 WeakPolarHBondContact CG1-ND2 3.3Å; V132-F157 HydrophobicContact CB-CB 4.26Å; V132-F157 HydrophobicContact CG1-CB 3.75Å; V132-F157 HydrophobicContact CG1-CG 4.27Å; V132-F157 HydrophobicContact CG2-CB 4.39Å; V132-F157 HydrophobicContact CG2-CD2 3.87Å; V132-F157 HydrophobicContact CG2-CE2 4.5Å; V132-F157 HydrophobicContact CG2-CG 4.24Å
133L98.4Very high96.1Very high0 Ų034.6 Ų34.60%020%0.198CC..  trans-126.645.2-179.4-69.4169.6000110.4W89 L107 L112 L131 S136 I146 F157 L158 N161W89-L133 HydrophobicContact CH2-CD2 3.87Å; L107-L133 HydrophobicContact CB-CD2 3.81Å; L107-L133 HydrophobicContact CD1-CD2 4.1Å; L112-L133 HydrophobicContact CD1-CD2 4.47Å; L131-L133 HydrophobicContact CD1-CG 4.36Å; L131-L133 HydrophobicContact CD2-CD1 3.82Å; L131-L133 HydrophobicContact CD2-CG 4.31Å; L131-L133 HydrophobicContact CG-CD1 4.12Å; L131-L133 HydrophobicContact CG-CG 4.07Å; L133-S136 PolarHBondContact O-OG 2.98Å; L133-S136 VanDerWaalsContact O-OG 3.13Å; L133-I146 HydrophobicContact CD1-CD1 3.5Å; L133-I146 VanDerWaalsContact CD1-CD1 3.5Å; L133-F157 CarbonylContact C-O 3.59Å; L133-F157 WeakPolarHBondContact CA-O 3.5Å; L133-F157 PolarHBondContact N-O 3.49Å; L133-L158 HydrophobicContact CB-CD2 4.07Å; L133-L158 HydrophobicContact CD1-CD2 4.47Å; L133-N161 PolarHBondContact O-ND2 3.31Å
134N98.6Very high96.2Very high34 Ų3434.6 Ų34.618%0.18219%0.19CC..THydrogen-bonded Turntrans-76.3140.9179.7-61.8-24.5000110.4S108 S109 V132 S136 F157 L158 C159S108-N134 CarbonylContact C-O 3.52Å; S108-N134 WeakPolarHBondContact CA-O 3.28Å; S108-N134 VanDerWaalsContact CB-O 3.24Å; S108-N134 WeakPolarHBondContact CB-O 3.43Å; S108-N134 PolarHBondContact OG-N 3.33Å; S109-N134 PolarHBondContact N-O 3.18Å; V132-N134 HydrophobicContact CG1-CB 4.48Å; V132-N134 WeakPolarHBondContact CG1-ND2 3.3Å; N134-S136 PolarHBondContact O-N 3.43Å; N134-S136 VanDerWaalsContact O-N 3.09Å; N134-F157 VanDerWaalsContact OD1-C 3.23Å; N134-F157 WeakPolarHBondContact OD1-CB 3.4Å; N134-F157 PolarHBondContact OD1-O 3.5Å; N134-L158 PolarHBondContact OD1-N 2.97Å; N134-C159 CarbonylContact C-O 3.54Å; N134-C159 WeakPolarHBondContact CA-O 3.37Å; N134-C159 HydrophobicContact CB-CB 4.19Å; N134-C159 WeakPolarHBondContact OD1-CB 3.42Å; N134-C159 PolarHBondContact OD1-N 3.41Å; N134-C159 PolarHBondContact OD1-SG 2.95Å
135N98.1Very high96.3Very high64 Ų6433.7 Ų33.734%0.34218%0.183SC..THydrogen-bonded Turntrans5133.9178.1-172.244.2000113S109 C159 L160 N161S109-N135 WeakPolarHBondContact CA-O 3.26Å; S109-N135 PolarHBondContact OG-ND2 3.45Å; N135-C159 PolarHBondContact N-O 3.14Å; N135-L160 WeakPolarHBondContact CA-O 3.36Å; N135-L160 HydrophobicContact CB-CB 3.89Å; N135-L160 HydrophobicContact CB-CD1 4.45Å; N135-N161 PolarHBondContact N-OD1 3.43Å
136S95.3Very high96.4Very high2 Ų233.6 Ų33.61%0.01418%0.182CC..SBendtrans-103.7-3.1177.771.10000112.5L133 N134 A138 N161L133-S136 PolarHBondContact O-OG 2.98Å; L133-S136 VanDerWaalsContact O-OG 3.13Å; N134-S136 PolarHBondContact O-N 3.43Å; N134-S136 VanDerWaalsContact O-N 3.09Å; S136-A138 PolarHBondContact O-N 3.28Å; S136-A138 PolarHBondContact OG-N 3.08Å; S136-N161 PolarHBondContact N-OD1 3.09Å
137K95.5Very high96.3Very high80 Ų8032 Ų3235%0.34817%0.168SC..  trans52.334.3-173.3-51.6-56.6177.3-164.60112.2S113 S139 L160 N161 D162S113-K137 WeakPolarHBondContact CB-O 3.34Å; K137-S139 PolarHBondContact O-N 2.83Å; K137-L160 PolarHBondContact NZ-O 3.19Å; K137-L160 VanDerWaalsContact NZ-O 3.12Å; K137-N161 PolarHBondContact N-OD1 3.06Å; K137-D162 WeakPolarHBondContact CE-OD2 3.23Å; K137-D162 IonicContact NZ-OD1 2.69Å; K137-D162 PolarHBondContact NZ-OD1 3.3Å; K137-D162 IonicContact NZ-OD2 3.79Å; K137-D162 PolarHBondContact NZ-OD2 3.47Å
138A95.6Very high96.2Very high4 Ų433.1 Ų33.13%0.03316%0.161CC..  trans-59.5127.5179.700000110.3S136 T142 Y163S136-A138 PolarHBondContact O-N 3.28Å; S136-A138 PolarHBondContact OG-N 3.08Å; A138-T142 HydrophobicContact CB-CG2 4.47Å; A138-Y163 WeakPolarHBondContact O-CE1 3.42Å; A138-Y163 VanDerWaalsContact O-CZ 3.23Å; A138-Y163 PolarHBondContact O-OH 3.2Å
139S96.3Very high96Very high51 Ų5135.4 Ų35.436%0.35717%0.171SC..  trans-73.6160.8176.1680000111.4K137 E141 T142 V143K137-S139 PolarHBondContact O-N 2.83Å; S139-E141 PolarHBondContact O-N 3.34Å; S139-T142 VanDerWaalsContact O-CB 3.27Å; S139-T142 WeakPolarHBondContact O-CB 3.48Å; S139-T142 PolarHBondContact O-N 3.27Å; S139-T142 VanDerWaalsContact O-N 3.08Å; S139-T142 PolarHBondContact OG-N 2.77Å; S139-T142 PolarHBondContact OG-OG1 3.01Å; S139-V143 PolarHBondContact O-N 3.41Å
140W96.2Very high95.8Very high25 Ų2531.2 Ų31.210%0.09516%0.156CC..Hα-helixtrans-61.8-30171.1-80.7105.5000113.2T142 V143 H144 Y163 T165 V166 I181 L195 M198W140-T142 VanDerWaalsContact C-N 3.3Å; W140-T142 PolarHBondContact O-N 3.12Å; W140-V143 HydrophobicContact CE3-CB 4.02Å; W140-V143 HydrophobicContact CE3-CG1 3.98Å; W140-V143 HydrophobicContact CE3-CG2 4.41Å; W140-V143 HydrophobicContact CZ3-CB 4.4Å; W140-V143 HydrophobicContact CZ3-CG1 3.9Å; W140-V143 CarbonylContact O-C 3.46Å; W140-V143 PolarHBondContact O-N 3.38Å; W140-H144 WeakPolarHBondContact O-CB 3.07Å; W140-H144 PolarHBondContact O-CD2 2.92Å; W140-H144 VanDerWaalsContact O-CD2 3.28Å; W140-H144 PolarHBondContact O-N 3.11Å; W140-H144 PolarHBondContact O-ND1 3.25Å; W140-Y163 AromaticContact NE1-CD1 3.59Å; W140-Y163 AromaticContact NE1-CE1 3.94Å; W140-T165 PolarHBondContact NE1-O 3.16Å; W140-V166 HydrophobicContact CH2-CB 4.38Å; W140-V166 HydrophobicContact CH2-CG1 3.77Å; W140-V166 HydrophobicContact CH2-CG2 4.17Å; W140-V166 HydrophobicContact CZ2-CB 3.93Å; W140-V166 HydrophobicContact CZ2-CG1 3.8Å; W140-V166 HydrophobicContact CZ2-CG2 3.66Å; W140-V166 HydrophobicContact CZ3-CG1 4.18Å; W140-I181 HydrophobicContact CZ2-CD1 4.31Å; W140-L195 HydrophobicContact CH2-CD2 3.8Å; W140-M198 HydrophobicContact CZ3-CE 4.18Å
141E95.3Very high95.4Very high128 Ų12832.1 Ų32.160%0.59817%0.168SC*.Hα-helixtrans-62.3-39.1172.7-177.4177.4-168.700111.7S139 H144 T145S139-E141 PolarHBondContact O-N 3.34Å; E141-H144 PolarHBondContact O-N 3.42Å; E141-T145 PolarHBondContact O-N 3.5Å; E141-T145 PolarHBondContact O-OG1 3.29Å
142T95.7Very high95.2Very high9 Ų935.8 Ų35.86%0.05519%0.188CC..Hα-helixtrans-62.7-48172.8-55.80000110.2W89 L117 A138 S139 W140 H144 T145 I146W89-T142 HydrophobicContact CH2-CG2 4.41Å; W89-T142 HydrophobicContact CZ2-CG2 3.71Å; L117-T142 HydrophobicContact CB-CG2 4.01Å; L117-T142 HydrophobicContact CD2-CG2 3.88Å; A138-T142 HydrophobicContact CB-CG2 4.47Å; S139-T142 VanDerWaalsContact O-CB 3.27Å; S139-T142 WeakPolarHBondContact O-CB 3.48Å; S139-T142 PolarHBondContact O-N 3.27Å; S139-T142 VanDerWaalsContact O-N 3.08Å; S139-T142 PolarHBondContact OG-N 2.77Å; S139-T142 PolarHBondContact OG-OG1 3.01Å; W140-T142 VanDerWaalsContact C-N 3.3Å; W140-T142 PolarHBondContact O-N 3.12Å; T142-H144 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-N 3.06Å; T142-I146 HydrophobicContact CG2-CD1 4.08Å; T142-I146 WeakPolarHBondContact O-CG1 3.15Å; T142-I146 PolarHBondContact O-N 3.26Å
143V95.8Very high95.1Very high1 Ų135.3 Ų35.31%0.00618%0.184CC..Hα-helixtrans-59.3-45.7176.7177.90000110.8S139 W140 T145 I146 L147 L156 L158S139-V143 PolarHBondContact O-N 3.41Å; W140-V143 HydrophobicContact CE3-CB 4.02Å; W140-V143 HydrophobicContact CE3-CG1 3.98Å; W140-V143 HydrophobicContact CE3-CG2 4.41Å; W140-V143 HydrophobicContact CZ3-CB 4.4Å; W140-V143 HydrophobicContact CZ3-CG1 3.9Å; W140-V143 CarbonylContact O-C 3.46Å; W140-V143 PolarHBondContact O-N 3.38Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.28Å; V143-I146 WeakPolarHBondContact O-CB 3.37Å; V143-I146 PolarHBondContact O-N 2.93Å; V143-I146 VanDerWaalsContact O-N 3.16Å; V143-L147 HydrophobicContact CG1-CD1 4.09Å; V143-L147 HydrophobicContact CG1-CG 4.23Å; V143-L147 VanDerWaalsContact O-CG 3.27Å; V143-L147 WeakPolarHBondContact O-CG 3.45Å; V143-L147 PolarHBondContact O-N 3.28Å; V143-L156 HydrophobicContact CG1-CD2 4.36Å; V143-L158 HydrophobicContact CG1-CD1 4.47Å; V143-L158 HydrophobicContact CG2-CD1 4.11Å; V143-L158 HydrophobicContact CG2-CD2 4.07Å
144H95.1Very high95.2Very high28 Ų2838.8 Ų38.813%0.1320%0.201CC..Hα-helixtrans-61.7-39.3178.5-63.3165.2000112.3W140 E141 T142 L147 Q148 S167W140-H144 WeakPolarHBondContact O-CB 3.07Å; W140-H144 PolarHBondContact O-CD2 2.92Å; W140-H144 VanDerWaalsContact O-CD2 3.28Å; W140-H144 PolarHBondContact O-N 3.11Å; W140-H144 PolarHBondContact O-ND1 3.25Å; E141-H144 PolarHBondContact O-N 3.42Å; T142-H144 PolarHBondContact O-N 3.42Å; H144-L147 PolarHBondContact O-N 2.76Å; H144-Q148 WeakPolarHBondContact O-CG 3.23Å; H144-Q148 PolarHBondContact O-N 2.84Å; H144-Q148 VanDerWaalsContact O-N 3.08Å; H144-S167 PolarHBondContact CE1-O 3.38Å; H144-S167 PolarHBondContact NE2-O 3.04Å
145T94.9Very high95.2Very high21 Ų2139.9 Ų39.913%0.12921%0.205CC..Hα-helixtrans-63.9-42.7175-56.70000111L117 A122 E141 T142 V143 Q148 E149L117-T145 HydrophobicContact CD2-CG2 4.34Å; L117-T145 HydrophobicContact CG-CG2 4.09Å; A122-T145 HydrophobicContact CB-CG2 3.77Å; E141-T145 PolarHBondContact O-N 3.5Å; E141-T145 PolarHBondContact O-OG1 3.29Å; T142-T145 PolarHBondContact O-N 3.06Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.28Å; T145-Q148 PolarHBondContact O-N 3.3Å; T145-E149 PolarHBondContact O-N 2.9Å
146I93.3Very high95.2Very high4 Ų436.9 Ų36.92%0.02119%0.189CC..Hα-helixtrans-59.2-48.9173.7-70.6160.5000110.5L117 L131 L133 T142 V143 Q148 E149 L150 L153L117-I146 HydrophobicContact CD2-CD1 4.16Å; L117-I146 HydrophobicContact CD2-CG1 3.65Å; L131-I146 HydrophobicContact CD2-CD1 3.8Å; L131-I146 HydrophobicContact CD2-CG1 4.26Å; L131-I146 HydrophobicContact CD2-CG2 3.75Å; L133-I146 HydrophobicContact CD1-CD1 3.5Å; L133-I146 VanDerWaalsContact CD1-CD1 3.5Å; T142-I146 HydrophobicContact CG2-CD1 4.08Å; T142-I146 WeakPolarHBondContact O-CG1 3.15Å; T142-I146 PolarHBondContact O-N 3.26Å; V143-I146 WeakPolarHBondContact O-CB 3.37Å; V143-I146 PolarHBondContact O-N 2.93Å; V143-I146 VanDerWaalsContact O-N 3.16Å; I146-Q148 PolarHBondContact O-N 2.92Å; I146-E149 PolarHBondContact O-N 3.26Å; I146-E149 VanDerWaalsContact O-N 3.13Å; I146-L150 HydrophobicContact CB-CD1 4.44Å; I146-L150 HydrophobicContact CG2-CD1 4Å; I146-L150 HydrophobicContact CG2-CD2 4.02Å; I146-L150 HydrophobicContact CG2-CG 4.4Å; I146-L150 WeakPolarHBondContact O-CB 3.24Å; I146-L150 WeakPolarHBondContact O-CD1 3.42Å; I146-L150 PolarHBondContact O-N 2.68Å; I146-L153 HydrophobicContact CG2-CD2 4.05Å
147L91.6Very high95.4Very high8 Ų838.1 Ų38.14%0.04219%0.194CC..Hα-helixtrans-63.3-24.9-178.8-63.8178.3000113.3V143 H144 L153 C173 M198 F199V143-L147 HydrophobicContact CG1-CD1 4.09Å; V143-L147 HydrophobicContact CG1-CG 4.23Å; V143-L147 VanDerWaalsContact O-CG 3.27Å; V143-L147 WeakPolarHBondContact O-CG 3.45Å; V143-L147 PolarHBondContact O-N 3.28Å; H144-L147 PolarHBondContact O-N 2.76Å; L147-L153 HydrophobicContact CD2-CD2 4.49Å; L147-C173 HydrophobicContact CD2-CB 3.9Å; L147-M198 HydrophobicContact CD1-CE 3.36Å; L147-F199 HydrophobicContact CD1-CE1 3.77Å; L147-F199 HydrophobicContact CD1-CZ 3.89Å; L147-F199 HydrophobicContact CD2-CE1 3.77Å; L147-F199 HydrophobicContact CD2-CZ 4.35Å; L147-F199 HydrophobicContact CG-CE1 4.43Å
148Q92.1Very high95.5Very high71 Ų7134.4 Ų34.433%0.33218%0.178SC..Hα-helixtrans-77.8-36.1175.1-74.8176.312.600112.7H144 T145 I146 V171H144-Q148 WeakPolarHBondContact O-CG 3.23Å; H144-Q148 PolarHBondContact O-N 2.84Å; H144-Q148 VanDerWaalsContact O-N 3.08Å; T145-Q148 PolarHBondContact O-N 3.3Å; I146-Q148 PolarHBondContact O-N 2.92Å; Q148-V171 HydrophobicContact CG-CG2 4.34Å
149E94.1Very high95.7Very high49 Ų4934.6 Ų34.623%0.22918%0.179CC..Hα-helixtrans-103.3-13.4-170-59.4-56.9127.800114.3R119 A122 T145 I146 P151R119-E149 WeakPolarHBondContact CD-OE1 3.43Å; R119-E149 HydrophobicContact CG-CG 3.68Å; R119-E149 WeakPolarHBondContact CG-OE1 3.48Å; R119-E149 IonicContact NE-OE1 2.61Å; A122-E149 HydrophobicContact CB-CB 3.85Å; A122-E149 HydrophobicContact CB-CG 3.78Å; T145-E149 PolarHBondContact O-N 2.9Å; I146-E149 PolarHBondContact O-N 3.26Å; I146-E149 VanDerWaalsContact O-N 3.13Å; E149-P151 VanDerWaalsContact C-CD 3.44Å; E149-P151 WeakPolarHBondContact O-CD 3.38Å
150L93.2Very high95.7Very high1 Ų135.9 Ų35.91%0.00518%0.181CC..  trans-112.177176.5-70.572.2000110.4F125 V128 L131 I146 D152 L153F125-L150 HydrophobicContact CB-CD1 3.77Å; F125-L150 HydrophobicContact CB-CD2 4.04Å; F125-L150 HydrophobicContact CB-CG 4.02Å; F125-L150 WeakPolarHBondContact O-CG 3.22Å; V128-L150 HydrophobicContact CB-CD2 3.97Å; V128-L150 HydrophobicContact CG1-CD2 4.33Å; L131-L150 HydrophobicContact CD2-CD2 4.4Å; I146-L150 HydrophobicContact CB-CD1 4.44Å; I146-L150 HydrophobicContact CG2-CD1 4Å; I146-L150 HydrophobicContact CG2-CD2 4.02Å; I146-L150 HydrophobicContact CG2-CG 4.4Å; I146-L150 WeakPolarHBondContact O-CB 3.24Å; I146-L150 WeakPolarHBondContact O-CD1 3.42Å; I146-L150 PolarHBondContact O-N 2.68Å; L150-D152 PolarHBondContact O-N 3.01Å; L150-L153 HydrophobicContact CB-CB 4.04Å; L150-L153 HydrophobicContact CD2-CD1 4.13Å; L150-L153 WeakPolarHBondContact O-CB 3.35Å; L150-L153 PolarHBondContact O-N 2.83Å
151P90.5Very high95.8Very high82 Ų8235.1 Ų35.153%0.53218%0.179SC..THydrogen-bonded Turntrans-66.6-23.4-175.328-36.1000113.5E149 S175E149-P151 VanDerWaalsContact C-CD 3.44Å; E149-P151 WeakPolarHBondContact O-CD 3.38Å; P151-S175 WeakPolarHBondContact O-CB 3.4Å; P151-S175 PolarHBondContact O-OG 3.35Å
152D95.1Very high95.9Very high79 Ų7933.2 Ų33.242%0.42217%0.173SC..THydrogen-bonded Turntrans-101.313.5-177.7-68.4-33.5000113.5L150 E154L150-D152 PolarHBondContact O-N 3.01Å; D152-E154 PolarHBondContact O-N 3.06Å
153L97.4Very high96Very high0 Ų033.6 Ų33.60%017%0.174CC..  trans-65.6120.3179.4-172.370.8000111.5V128 L131 I146 L147 L150 L156 S175 L176V128-L153 HydrophobicContact CG1-CD1 4.48Å; L131-L153 HydrophobicContact CB-CD1 3.78Å; I146-L153 HydrophobicContact CG2-CD2 4.05Å; L147-L153 HydrophobicContact CD2-CD2 4.49Å; L150-L153 HydrophobicContact CB-CB 4.04Å; L150-L153 HydrophobicContact CD2-CD1 4.13Å; L150-L153 WeakPolarHBondContact O-CB 3.35Å; L150-L153 PolarHBondContact O-N 2.83Å; L153-L156 HydrophobicContact CD2-CB 4.25Å; L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 HydrophobicContact CD2-CD2 4.45Å; L153-S175 CarbonylContact O-C 3.46Å; L153-S175 VanDerWaalsContact O-C 3.24Å; L153-S175 VanDerWaalsContact O-CB 3.28Å; L153-S175 WeakPolarHBondContact O-CB 3.5Å; L153-S175 PolarHBondContact O-OG 3.15Å; L153-S175 VanDerWaalsContact O-OG 3.11Å; L153-L176 HydrophobicContact CD2-CD1 4.16Å; L153-L176 HydrophobicContact CG-CD1 4.03Å; L153-L176 VanDerWaalsContact O-CA 3.28Å; L153-L176 WeakPolarHBondContact O-CA 3.47Å; L153-L176 PolarHBondContact O-N 3.4Å; L153-L176 VanDerWaalsContact O-N 3.08Å
154E98.6Very high96Very high74 Ų7440.1 Ų40.135%0.34620%0.204SC..  trans-103.7-35.4-177.1-69.1176.6-160.500112.9R129 D152 K177 L178R129-E154 IonicContact CZ-OE1 3.68Å; R129-E154 IonicContact NH1-OE1 3.21Å; R129-E154 PolarHBondContact NH1-OE1 2.81Å; R129-E154 WeakPolarHBondContact O-CA 2.83Å; R129-E154 PolarHBondContact O-N 2.99Å; D152-E154 PolarHBondContact O-N 3.06Å; E154-K177 PolarHBondContact O-N 3.4Å; E154-L178 PolarHBondContact O-N 3.32Å
155E98.9Very high96.1Very high56 Ų5642.8 Ų42.826%0.26222%0.222SC..EExtended strand (participates in β ladder)trans-130.7129.4-178.4-53.5-172.5-166.700112.1R129 K130 L131 F157 L178R129-E155 PolarHBondContact O-N 3.23Å; K130-E155 WeakPolarHBondContact CA-O 3.44Å; K130-E155 HydrophobicContact CB-CB 4.21Å; K130-E155 HydrophobicContact CD-CB 4.34Å; K130-E155 VanDerWaalsContact CD-OE2 3.24Å; K130-E155 WeakPolarHBondContact CD-OE2 3.19Å; K130-E155 WeakPolarHBondContact CE-OE2 3.42Å; K130-E155 HydrophobicContact CG-CB 3.94Å; K130-E155 IonicContact NZ-OE2 2.86Å; K130-E155 PolarHBondContact NZ-OE2 2.78Å; L131-E155 PolarHBondContact N-O 2.87Å; E155-F157 HydrophobicContact CB-CE2 3.81Å; E155-F157 WeakPolarHBondContact OE2-CE2 3.22Å; E155-L178 WeakPolarHBondContact CA-O 3.46Å; E155-L178 HydrophobicContact CB-CB 4.27Å; E155-L178 HydrophobicContact CG-CB 3.98Å
156L98.7Very high96.2Very high1 Ų141.9 Ų41.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-130.6127.6-179.4-179.659.2000111L131 V143 L153 L158 L176 L178 L179 H180L131-L156 HydrophobicContact CB-CD1 4.26Å; L131-L156 HydrophobicContact CD2-CD1 4.33Å; L131-L156 HydrophobicContact CG-CD1 4.37Å; L131-L156 WeakPolarHBondContact O-CA 3.43Å; V143-L156 HydrophobicContact CG1-CD2 4.36Å; L153-L156 HydrophobicContact CD2-CB 4.25Å; L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 HydrophobicContact CD2-CD2 4.45Å; L156-L158 HydrophobicContact CD1-CD2 4.24Å; L156-L158 HydrophobicContact CD1-CG 4.23Å; L156-L158 HydrophobicContact CD2-CD1 3.92Å; L156-L158 HydrophobicContact CD2-CG 4.26Å; L156-L158 HydrophobicContact CG-CD1 4.14Å; L156-L158 HydrophobicContact CG-CD2 4.46Å; L156-L158 HydrophobicContact CG-CG 3.94Å; L156-L176 HydrophobicContact CB-CD1 3.67Å; L156-L176 HydrophobicContact CB-CD2 4.29Å; L156-L178 PolarHBondContact N-O 2.99Å; L156-L179 HydrophobicContact CB-CD1 4.26Å; L156-L179 HydrophobicContact CD2-CD1 4.27Å; L156-L179 HydrophobicContact CG-CD1 4.25Å; L156-H180 PolarHBondContact O-N 2.92Å
157F98.9Very high96.3Very high29 Ų2944.5 Ų44.513%0.12724%0.236CC..EExtended strand (participates in β ladder)trans-118.1123.8180-58-108.8000110.1K130 L131 V132 L133 N134 E155 L178 H180K130-F157 HydrophobicContact CD-CE2 4.27Å; K130-F157 HydrophobicContact CG-CE2 4.05Å; L131-F157 PolarHBondContact O-N 3.03Å; V132-F157 HydrophobicContact CB-CB 4.26Å; V132-F157 HydrophobicContact CG1-CB 3.75Å; V132-F157 HydrophobicContact CG1-CG 4.27Å; V132-F157 HydrophobicContact CG2-CB 4.39Å; V132-F157 HydrophobicContact CG2-CD2 3.87Å; V132-F157 HydrophobicContact CG2-CE2 4.5Å; V132-F157 HydrophobicContact CG2-CG 4.24Å; L133-F157 CarbonylContact C-O 3.59Å; L133-F157 WeakPolarHBondContact CA-O 3.5Å; L133-F157 PolarHBondContact N-O 3.49Å; N134-F157 VanDerWaalsContact OD1-C 3.23Å; N134-F157 WeakPolarHBondContact OD1-CB 3.4Å; N134-F157 PolarHBondContact OD1-O 3.5Å; E155-F157 HydrophobicContact CB-CE2 3.81Å; E155-F157 WeakPolarHBondContact OE2-CE2 3.22Å; F157-L178 HydrophobicContact CE1-CD2 4.09Å; F157-L178 HydrophobicContact CE2-CD2 4.19Å; F157-L178 HydrophobicContact CZ-CD2 3.77Å; F157-H180 CarbonylContact C-O 3.39Å; F157-H180 WeakPolarHBondContact CA-O 3.35Å; F157-H180 HydrophobicContact CB-CB 4.48Å; F157-H180 HydrophobicContact CD1-CB 3.56Å; F157-H180 AromaticContact CD1-CG 3.81Å; F157-H180 AromaticContact CD1-ND1 3.39Å; F157-H180 WeakPolarHBondContact CD1-ND1 3.18Å; F157-H180 HydrophobicContact CE1-CB 4Å; F157-H180 AromaticContact CE1-ND1 3.55Å; F157-H180 HydrophobicContact CG-CB 4.16Å
158L98.6Very high96.3Very high1 Ų147 Ų471%0.00525%0.253CS..  trans-135.834.7-168.5-74-176.4000111.2L133 N134 V143 L156 Y163 L179 H180 I181 N184L133-L158 HydrophobicContact CB-CD2 4.07Å; L133-L158 HydrophobicContact CD1-CD2 4.47Å; N134-L158 PolarHBondContact OD1-N 2.97Å; V143-L158 HydrophobicContact CG1-CD1 4.47Å; V143-L158 HydrophobicContact CG2-CD1 4.11Å; V143-L158 HydrophobicContact CG2-CD2 4.07Å; L156-L158 HydrophobicContact CD1-CD2 4.24Å; L156-L158 HydrophobicContact CD1-CG 4.23Å; L156-L158 HydrophobicContact CD2-CD1 3.92Å; L156-L158 HydrophobicContact CD2-CG 4.26Å; L156-L158 HydrophobicContact CG-CD1 4.14Å; L156-L158 HydrophobicContact CG-CD2 4.46Å; L156-L158 HydrophobicContact CG-CG 3.94Å; L158-Y163 HydrophobicContact CB-CE2 3.99Å; L158-Y163 HydrophobicContact CD1-CE2 4.46Å; L158-L179 HydrophobicContact CD1-CD1 4.22Å; L158-H180 PolarHBondContact N-O 3.21Å; L158-I181 HydrophobicContact CB-CB 4.48Å; L158-I181 HydrophobicContact CB-CG1 4.19Å; L158-N184 PolarHBondContact O-ND2 2.82Å
159C98.6Very high96Very high8 Ų843.9 Ų43.95%0.05424%0.239CC..THydrogen-bonded Turntrans-77.1154.5-175.3-49.80000111.4N134 N135 N161 H180 T182N134-C159 CarbonylContact C-O 3.54Å; N134-C159 WeakPolarHBondContact CA-O 3.37Å; N134-C159 HydrophobicContact CB-CB 4.19Å; N134-C159 WeakPolarHBondContact OD1-CB 3.42Å; N134-C159 PolarHBondContact OD1-N 3.41Å; N134-C159 PolarHBondContact OD1-SG 2.95Å; N135-C159 PolarHBondContact N-O 3.14Å; C159-N161 PolarHBondContact O-N 2.67Å; C159-H180 PolarHBondContact SG-CD2 3.34Å; C159-T182 CarbonylContact C-O 3.2Å; C159-T182 WeakPolarHBondContact CA-O 3.34Å; C159-T182 WeakPolarHBondContact CB-O 3.21Å
160L98.1Very high95.4Very high79 Ų7947.4 Ų47.441%0.41427%0.266SS..THydrogen-bonded Turntrans6028.4172.1-60.8161000114.8N135 K137 T182 D183N135-L160 WeakPolarHBondContact CA-O 3.36Å; N135-L160 HydrophobicContact CB-CB 3.89Å; N135-L160 HydrophobicContact CB-CD1 4.45Å; K137-L160 PolarHBondContact NZ-O 3.19Å; K137-L160 VanDerWaalsContact NZ-O 3.12Å; L160-T182 PolarHBondContact N-O 3.13Å; L160-T182 VanDerWaalsContact N-O 3.08Å; L160-D183 VanDerWaalsContact CA-O 3.27Å; L160-D183 WeakPolarHBondContact CA-O 3.3Å; L160-D183 HydrophobicContact CD2-CB 3.4Å; L160-D183 VanDerWaalsContact CD2-CB 3.4Å; L160-D183 HydrophobicContact CG-CB 3.86Å; L160-D183 PolarHBondContact N-O 3.42Å
161N97.8Very high94.9Very high9 Ų950.2 Ų50.25%0.04828%0.283CS..SBendtrans-101.27.8-178.1-77.7-30.2000113.5L133 N135 S136 K137 C159 Y163 N184L133-N161 PolarHBondContact O-ND2 3.31Å; N135-N161 PolarHBondContact N-OD1 3.43Å; S136-N161 PolarHBondContact N-OD1 3.09Å; K137-N161 PolarHBondContact N-OD1 3.06Å; C159-N161 PolarHBondContact O-N 2.67Å; N161-Y163 HydrophobicContact CB-CD2 3.78Å; N161-Y163 HydrophobicContact CB-CE1 4.21Å; N161-Y163 HydrophobicContact CB-CE2 3.32Å; N161-Y163 HydrophobicContact CB-CG 4.39Å; N161-Y163 PolarHBondContact ND2-OH 3.25Å; N161-Y163 PolarHBondContact O-N 3.3Å; N161-N184 WeakPolarHBondContact CA-OD1 3.42Å; N161-N184 PolarHBondContact N-OD1 2.73Å; N161-N184 VanDerWaalsContact N-OD1 3.07Å
162D96.7Very high94.8Very high88 Ų8848.9 Ų48.947%0.47128%0.275SS..  trans57.427.4-179.5-48.7-32000114.2K137 E164 N184K137-D162 WeakPolarHBondContact CE-OD2 3.23Å; K137-D162 IonicContact NZ-OD1 2.69Å; K137-D162 PolarHBondContact NZ-OD1 3.3Å; K137-D162 IonicContact NZ-OD2 3.79Å; K137-D162 PolarHBondContact NZ-OD2 3.47Å; D162-E164 PolarHBondContact O-N 3Å; D162-E164 VanDerWaalsContact O-N 3.12Å; D162-N184 PolarHBondContact N-OD1 3.12Å
163Y97.8Very high94.7Very high17 Ų1745.3 Ų45.37%0.06726%0.257CS..  trans-63.4118.3179.3-63-57.2000111.4A138 W140 L158 N161 I181 N184 N185 L186A138-Y163 WeakPolarHBondContact O-CE1 3.42Å; A138-Y163 VanDerWaalsContact O-CZ 3.23Å; A138-Y163 PolarHBondContact O-OH 3.2Å; W140-Y163 AromaticContact NE1-CD1 3.59Å; W140-Y163 AromaticContact NE1-CE1 3.94Å; L158-Y163 HydrophobicContact CB-CE2 3.99Å; L158-Y163 HydrophobicContact CD1-CE2 4.46Å; N161-Y163 HydrophobicContact CB-CD2 3.78Å; N161-Y163 HydrophobicContact CB-CE1 4.21Å; N161-Y163 HydrophobicContact CB-CE2 3.32Å; N161-Y163 HydrophobicContact CB-CG 4.39Å; N161-Y163 PolarHBondContact ND2-OH 3.25Å; N161-Y163 PolarHBondContact O-N 3.3Å; Y163-I181 HydrophobicContact CD2-CD1 3.84Å; Y163-I181 HydrophobicContact CD2-CG1 4.05Å; Y163-I181 HydrophobicContact CE2-CD1 4.37Å; Y163-N184 VanDerWaalsContact CD2-OD1 3.25Å; Y163-N184 WeakPolarHBondContact CD2-OD1 3.22Å; Y163-N184 PolarHBondContact N-OD1 3.32Å; Y163-N185 CarbonylContact O-C 3.53Å; Y163-N185 VanDerWaalsContact O-CA 3.29Å; Y163-N185 WeakPolarHBondContact O-CA 3.4Å; Y163-N185 PolarHBondContact O-N 3.33Å; Y163-L186 PolarHBondContact O-N 3.48Å
164E96.8Very high94.5Very high137 Ų13750.8 Ų50.864%0.6428%0.282SS*.SBendtrans-93.8-28.2170.4-67.5176.3-170.400112D162 N185D162-E164 PolarHBondContact O-N 3Å; D162-E164 VanDerWaalsContact O-N 3.12Å; E164-N185 HydrophobicContact CG-CB 3.71Å
165T96.9Very high94.4Very high85 Ų8548.3 Ų48.352%0.52127%0.273SS..SBendtrans-137.1160.3-179.860.70000110.8W140 E191W140-T165 PolarHBondContact NE1-O 3.16Å; T165-E191 WeakPolarHBondContact CA-OE2 3.3Å
166V96.8Very high94.4Very high2 Ų245.7 Ų45.71%0.01226%0.26CS..  trans-107.4127.9172.5176.60000108.4W140 L186 E191 K194 L195W140-V166 HydrophobicContact CH2-CB 4.38Å; W140-V166 HydrophobicContact CH2-CG1 3.77Å; W140-V166 HydrophobicContact CH2-CG2 4.17Å; W140-V166 HydrophobicContact CZ2-CB 3.93Å; W140-V166 HydrophobicContact CZ2-CG1 3.8Å; W140-V166 HydrophobicContact CZ2-CG2 3.66Å; W140-V166 HydrophobicContact CZ3-CG1 4.18Å; V166-L186 HydrophobicContact CG2-CD1 4.49Å; V166-L186 HydrophobicContact CG2-CD2 4.07Å; V166-E191 WeakPolarHBondContact CA-OE2 3.43Å; V166-E191 HydrophobicContact CB-CB 4.36Å; V166-E191 HydrophobicContact CG2-CB 4.02Å; V166-E191 PolarHBondContact N-OE2 3.08Å; V166-K194 HydrophobicContact CB-CB 4.17Å; V166-K194 HydrophobicContact CB-CD 4.04Å; V166-K194 HydrophobicContact CG1-CB 3.63Å; V166-K194 HydrophobicContact CG1-CD 4.22Å; V166-K194 WeakPolarHBondContact O-CD 3.35Å; V166-K194 PolarHBondContact O-NZ 3.19Å; V166-L195 HydrophobicContact CB-CD2 4.48Å; V166-L195 HydrophobicContact CG1-CD2 3.72Å; V166-L195 HydrophobicContact CG1-CG 4.34Å; V166-L195 HydrophobicContact CG2-CD2 3.88Å; V166-L195 HydrophobicContact CG2-CG 4.14Å
167S95.8Very high94.4Very high59 Ų5950 Ų5041%0.41328%0.279SS..PPolyproline II helixtrans-92.6125.9170.6-172.10000109.9H144H144-S167 PolarHBondContact CE1-O 3.38Å; H144-S167 PolarHBondContact NE2-O 3.04Å
168C90.1Very high94.4Very high61 Ų6150.1 Ų50.141%0.41228%0.281SS..PPolyproline II helixtrans-75.6130.6-178.2-164.30000110.7
169S87.7Confident94.4Very high5 Ų550.1 Ų50.14%0.03528%0.281CS..PPolyproline II helixtrans-89.1142.8170.2178.20000110.3V171S169-V171 PolarHBondContact O-N 3.33Å; S169-V171 PolarHBondContact OG-N 2.9Å; S169-V171 VanDerWaalsContact OG-N 3.08Å; S169-V171 PolarHBondContact OG-O 2.78Å
170P80Confident94.4Very high123 Ų12351.7 Ų51.780%0.79929%0.288SS*.SBendtrans-69-13.7169.229.8-34.4000112.7
171V83.6Confident94.4Very high59 Ų5948 Ų4836%0.35827%0.268SS..SBendtrans-102.5120.8-180-176.60000109.3Q148 S169Q148-V171 HydrophobicContact CG-CG2 4.34Å; S169-V171 PolarHBondContact O-N 3.33Å; S169-V171 PolarHBondContact OG-N 2.9Å; S169-V171 VanDerWaalsContact OG-N 3.08Å; S169-V171 PolarHBondContact OG-O 2.78Å
172C88.3Confident94.5Very high54 Ų5448.3 Ų48.337%0.36527%0.27SS..  trans-81134.9169.8-58.30000110.4I197 M198C172-I197 PolarHBondContact SG-O 2.91Å; C172-M198 CarbonylContact C-O 3.47Å; C172-M198 WeakPolarHBondContact CA-O 3.4Å
173C92.2Very high94.5Very high5 Ų547 Ų473%0.03426%0.264CS..  trans-93.7107.5171.6-179.50000109L147 S175 M198 F199L147-C173 HydrophobicContact CD2-CB 3.9Å; C173-S175 PolarHBondContact SG-OG 3.47Å; C173-S175 VanDerWaalsContact SG-OG 3.32Å; C173-M198 PolarHBondContact N-O 3.27Å; C173-F199 HydrophobicContact CB-CD1 3.92Å; C173-F199 HydrophobicContact CB-CE1 3.97Å
174Q94.4Very high94.6Very high115 Ų11546.4 Ų46.454%0.53726%0.262SS..SBendtrans-84-16.2-175-62.8-67.1-24.600113.1S201Q174-S201 WeakPolarHBondContact O-CB 3.49Å; Q174-S201 PolarHBondContact O-OG 2.64Å
175S96.9Very high94.5Very high22 Ų2243.1 Ų43.115%0.15425%0.248CC..SBendtrans-83.3-34.3-178.837.80000112.2P151 L153 C173 K177P151-S175 WeakPolarHBondContact O-CB 3.4Å; P151-S175 PolarHBondContact O-OG 3.35Å; L153-S175 CarbonylContact O-C 3.46Å; L153-S175 VanDerWaalsContact O-C 3.24Å; L153-S175 VanDerWaalsContact O-CB 3.28Å; L153-S175 WeakPolarHBondContact O-CB 3.5Å; L153-S175 PolarHBondContact O-OG 3.15Å; L153-S175 VanDerWaalsContact O-OG 3.11Å; C173-S175 PolarHBondContact SG-OG 3.47Å; C173-S175 VanDerWaalsContact SG-OG 3.32Å; S175-K177 WeakPolarHBondContact O-CG 3.37Å; S175-K177 PolarHBondContact O-N 2.99Å
176L98.2Very high94.5Very high0 Ų039 Ų390%022%0.223CC..  trans-60122.8-173.1-158.977.1000112.4L153 L156 L179 F199 S201 L202L153-L176 HydrophobicContact CD2-CD1 4.16Å; L153-L176 HydrophobicContact CG-CD1 4.03Å; L153-L176 VanDerWaalsContact O-CA 3.28Å; L153-L176 WeakPolarHBondContact O-CA 3.47Å; L153-L176 PolarHBondContact O-N 3.4Å; L153-L176 VanDerWaalsContact O-N 3.08Å; L156-L176 HydrophobicContact CB-CD1 3.67Å; L156-L176 HydrophobicContact CB-CD2 4.29Å; L176-L179 HydrophobicContact CD2-CB 4.17Å; L176-L179 HydrophobicContact CD2-CD1 4.48Å; L176-F199 HydrophobicContact CB-CD1 3.99Å; L176-F199 HydrophobicContact CD2-CB 4.43Å; L176-F199 HydrophobicContact CD2-CD1 3.42Å; L176-F199 VanDerWaalsContact CD2-CD1 3.42Å; L176-F199 HydrophobicContact CD2-CD2 4.2Å; L176-F199 HydrophobicContact CD2-CE1 3.58Å; L176-F199 HydrophobicContact CD2-CE2 4.34Å; L176-F199 HydrophobicContact CD2-CG 3.76Å; L176-F199 HydrophobicContact CD2-CZ 4.03Å; L176-F199 HydrophobicContact CG-CD1 4.33Å; L176-S201 CarbonylContact O-C 3.55Å; L176-L202 HydrophobicContact CD2-CD1 4.2Å; L176-L202 HydrophobicContact CG-CD1 4.38Å
177K98.6Very high94.4Very high92 Ų9244.3 Ų44.340%0.425%0.248SC..  trans-108.2-35178.5-58-49.8-177-1720112.1E154 S175 S201 L202 D203 T204E154-K177 PolarHBondContact O-N 3.4Å; S175-K177 WeakPolarHBondContact O-CG 3.37Å; S175-K177 PolarHBondContact O-N 2.99Å; K177-S201 WeakPolarHBondContact CD-O 3.28Å; K177-S201 PolarHBondContact NZ-OG 3.21Å; K177-L202 WeakPolarHBondContact O-CD1 3.2Å; K177-D203 HydrophobicContact CB-CB 4.31Å; K177-D203 WeakPolarHBondContact O-CA 3.28Å; K177-D203 WeakPolarHBondContact O-CB 3.28Å; K177-D203 PolarHBondContact O-N 3.26Å; K177-T204 PolarHBondContact O-N 3.24Å
178L98.9Very high94.3Very high32 Ų3244.6 Ų44.617%0.16825%0.245CC..EExtended strand (participates in β ladder)trans-124.4126.6-179.7-172.2153.7000111E154 E155 L156 F157 H180 T204E154-L178 PolarHBondContact O-N 3.32Å; E155-L178 WeakPolarHBondContact CA-O 3.46Å; E155-L178 HydrophobicContact CB-CB 4.27Å; E155-L178 HydrophobicContact CG-CB 3.98Å; L156-L178 PolarHBondContact N-O 2.99Å; F157-L178 HydrophobicContact CE1-CD2 4.09Å; F157-L178 HydrophobicContact CE2-CD2 4.19Å; F157-L178 HydrophobicContact CZ-CD2 3.77Å; L178-H180 HydrophobicContact CD2-CB 4.01Å; L178-T204 WeakPolarHBondContact CA-O 3.24Å; L178-T204 HydrophobicContact CD1-CG2 4.01Å; L178-T204 HydrophobicContact CG-CG2 4.06Å
179L98.8Very high94.5Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-121.2124.1169.6178.863.3000109.3L156 L158 L176 L195 F199 L202 T204 L205 I206L156-L179 HydrophobicContact CB-CD1 4.26Å; L156-L179 HydrophobicContact CD2-CD1 4.27Å; L156-L179 HydrophobicContact CG-CD1 4.25Å; L158-L179 HydrophobicContact CD1-CD1 4.22Å; L176-L179 HydrophobicContact CD2-CB 4.17Å; L176-L179 HydrophobicContact CD2-CD1 4.48Å; L179-L195 HydrophobicContact CD2-CB 4.4Å; L179-L195 HydrophobicContact CD2-CD1 3.97Å; L179-L195 HydrophobicContact CD2-CD2 3.94Å; L179-L195 HydrophobicContact CD2-CG 4.33Å; L179-F199 HydrophobicContact CD2-CD2 3.92Å; L179-F199 HydrophobicContact CD2-CE2 3.78Å; L179-L202 HydrophobicContact CB-CD1 3.75Å; L179-L202 HydrophobicContact CB-CD2 4.26Å; L179-T204 PolarHBondContact N-O 3.13Å; L179-L205 HydrophobicContact CB-CD1 4.2Å; L179-L205 HydrophobicContact CD2-CD1 4.06Å; L179-L205 HydrophobicContact CG-CD1 4.27Å; L179-I206 PolarHBondContact O-N 3.01Å
180H98.9Very high94.9Very high42 Ų4243.9 Ų43.919%0.19424%0.238CC..EExtended strand (participates in β ladder)trans-119.6113176.7-168.6173.5000110.1L156 F157 L158 C159 L178 T182 I206L156-H180 PolarHBondContact O-N 2.92Å; F157-H180 CarbonylContact C-O 3.39Å; F157-H180 WeakPolarHBondContact CA-O 3.35Å; F157-H180 HydrophobicContact CB-CB 4.48Å; F157-H180 HydrophobicContact CD1-CB 3.56Å; F157-H180 AromaticContact CD1-CG 3.81Å; F157-H180 AromaticContact CD1-ND1 3.39Å; F157-H180 WeakPolarHBondContact CD1-ND1 3.18Å; F157-H180 HydrophobicContact CE1-CB 4Å; F157-H180 AromaticContact CE1-ND1 3.55Å; F157-H180 HydrophobicContact CG-CB 4.16Å; L158-H180 PolarHBondContact N-O 3.21Å; C159-H180 PolarHBondContact SG-CD2 3.34Å; L178-H180 HydrophobicContact CD2-CB 4.01Å; H180-T182 PolarHBondContact CD2-OG1 3.25Å; H180-T182 VanDerWaalsContact NE2-CB 3.31Å; H180-T182 WeakPolarHBondContact NE2-CB 3.38Å; H180-T182 PolarHBondContact NE2-OG1 3.25Å; H180-I206 HydrophobicContact CB-CB 4.25Å; H180-I206 HydrophobicContact CB-CD1 4.41Å; H180-I206 WeakPolarHBondContact CD2-CG2 3.46Å; H180-I206 WeakPolarHBondContact NE2-CG2 2.97Å
181I98.4Very high95.6Very high0 Ų039 Ų390%020%0.204CC..  trans-131.843.6-174.6-165.1166.8000110.9W140 L158 Y163 N184 L186 I206 L207 N210W140-I181 HydrophobicContact CZ2-CD1 4.31Å; L158-I181 HydrophobicContact CB-CB 4.48Å; L158-I181 HydrophobicContact CB-CG1 4.19Å; Y163-I181 HydrophobicContact CD2-CD1 3.84Å; Y163-I181 HydrophobicContact CD2-CG1 4.05Å; Y163-I181 HydrophobicContact CE2-CD1 4.37Å; I181-N184 VanDerWaalsContact CG1-ND2 3.27Å; I181-N184 WeakPolarHBondContact CG1-ND2 3.5Å; I181-N184 PolarHBondContact O-ND2 3.04Å; I181-L186 HydrophobicContact CD1-CD1 4.09Å; I181-L186 HydrophobicContact CG1-CD1 4.49Å; I181-L186 HydrophobicContact CG2-CD1 4.41Å; I181-I206 PolarHBondContact N-O 3.07Å; I181-L207 HydrophobicContact CG2-CD2 3.4Å; I181-L207 HydrophobicContact CG2-CG 4.35Å; I181-N210 PolarHBondContact O-ND2 2.7Å
182T98.4Very high96.3Very high16 Ų1636.1 Ų36.110%0.09819%0.187CC..  trans-74.1154-177.9-80.70000113C159 L160 H180 N184 A208C159-T182 CarbonylContact C-O 3.2Å; C159-T182 WeakPolarHBondContact CA-O 3.34Å; C159-T182 WeakPolarHBondContact CB-O 3.21Å; L160-T182 PolarHBondContact N-O 3.13Å; L160-T182 VanDerWaalsContact N-O 3.08Å; H180-T182 PolarHBondContact CD2-OG1 3.25Å; H180-T182 VanDerWaalsContact NE2-CB 3.31Å; H180-T182 WeakPolarHBondContact NE2-CB 3.38Å; H180-T182 PolarHBondContact NE2-OG1 3.25Å; T182-N184 PolarHBondContact O-N 3.42Å; T182-N184 PolarHBondContact O-ND2 2.88Å; T182-A208 CarbonylContact C-O 3.45Å; T182-A208 WeakPolarHBondContact CA-O 3.36Å; T182-A208 WeakPolarHBondContact CB-O 3.47Å; T182-A208 HydrophobicContact CG2-CB 4.1Å; T182-A208 VanDerWaalsContact CG2-O 3.28Å; T182-A208 WeakPolarHBondContact CG2-O 3.34Å; T182-A208 WeakPolarHBondContact OG1-CB 3.29Å; T182-A208 PolarHBondContact OG1-N 2.89Å; T182-A208 VanDerWaalsContact OG1-N 3.15Å; T182-A208 PolarHBondContact OG1-O 3.22Å
183D98.2Very high96.7Very high62 Ų6238.4 Ų38.433%0.33219%0.188SC..SBendtrans55.550.4-179.3-63.3-60.9000111.8L160 A208 N209L160-D183 VanDerWaalsContact CA-O 3.27Å; L160-D183 WeakPolarHBondContact CA-O 3.3Å; L160-D183 HydrophobicContact CD2-CB 3.4Å; L160-D183 VanDerWaalsContact CD2-CB 3.4Å; L160-D183 HydrophobicContact CG-CB 3.86Å; L160-D183 PolarHBondContact N-O 3.42Å; D183-A208 PolarHBondContact N-O 2.88Å; D183-N209 VanDerWaalsContact OD1-CB 3.3Å; D183-N209 WeakPolarHBondContact OD1-CB 3.47Å; D183-N209 PolarHBondContact OD1-ND2 3.33Å
184N97.8Very high96.9Very high4 Ų440.9 Ų40.92%0.02120%0.198CC..SBendtrans-119.1-173167.6-73.6-76.6000108.9L158 N161 D162 Y163 I181 T182 N210L158-N184 PolarHBondContact O-ND2 2.82Å; N161-N184 WeakPolarHBondContact CA-OD1 3.42Å; N161-N184 PolarHBondContact N-OD1 2.73Å; N161-N184 VanDerWaalsContact N-OD1 3.07Å; D162-N184 PolarHBondContact N-OD1 3.12Å; Y163-N184 VanDerWaalsContact CD2-OD1 3.25Å; Y163-N184 WeakPolarHBondContact CD2-OD1 3.22Å; Y163-N184 PolarHBondContact N-OD1 3.32Å; I181-N184 VanDerWaalsContact CG1-ND2 3.27Å; I181-N184 WeakPolarHBondContact CG1-ND2 3.5Å; I181-N184 PolarHBondContact O-ND2 3.04Å; T182-N184 PolarHBondContact O-N 3.42Å; T182-N184 PolarHBondContact O-ND2 2.88Å; N184-N210 VanDerWaalsContact CB-OD1 3.28Å; N184-N210 WeakPolarHBondContact CB-OD1 3.33Å; N184-N210 PolarHBondContact O-OD1 3.16Å
185N96.2Very high97Very high67 Ų6735.4 Ų35.436%0.35817%0.173SC..  trans-113.929.8-172.5-60.6-48.6000112.3Y163 E164 Q187Y163-N185 CarbonylContact O-C 3.53Å; Y163-N185 VanDerWaalsContact O-CA 3.29Å; Y163-N185 WeakPolarHBondContact O-CA 3.4Å; Y163-N185 PolarHBondContact O-N 3.33Å; E164-N185 HydrophobicContact CG-CB 3.71Å; N185-Q187 PolarHBondContact O-N 3.3Å
186L96.5Very high96.9Very high0 Ų034.4 Ų34.40%017%0.166CC..  trans-71.7122.3177.9-57.9174.7000109.8Y163 V166 I181 E191 I192 L207 N210 N211 L212Y163-L186 PolarHBondContact O-N 3.48Å; V166-L186 HydrophobicContact CG2-CD1 4.49Å; V166-L186 HydrophobicContact CG2-CD2 4.07Å; I181-L186 HydrophobicContact CD1-CD1 4.09Å; I181-L186 HydrophobicContact CG1-CD1 4.49Å; I181-L186 HydrophobicContact CG2-CD1 4.41Å; L186-E191 HydrophobicContact CD2-CB 4.19Å; L186-I192 HydrophobicContact CD1-CD1 3.94Å; L186-L207 HydrophobicContact CD1-CD2 4.29Å; L186-N210 HydrophobicContact CB-CB 4.24Å; L186-N210 WeakPolarHBondContact CB-OD1 3.43Å; L186-N210 PolarHBondContact N-OD1 2.92Å; L186-N210 VanDerWaalsContact N-OD1 3.15Å; L186-N211 CarbonylContact O-C 3.24Å; L186-N211 PolarHBondContact O-N 3.05Å; L186-N211 VanDerWaalsContact O-N 3.12Å; L186-L212 HydrophobicContact CB-CD2 4.41Å; L186-L212 PolarHBondContact O-N 2.83Å
187Q94.5Very high96.8Very high113 Ų11338 Ų3853%0.52819%0.185SC..  trans-114.5-30.8-176.5-62-174.627.500113.6N185 N211 L212 T213N185-Q187 PolarHBondContact O-N 3.3Å; Q187-N211 WeakPolarHBondContact CA-O 3.31Å; Q187-N211 HydrophobicContact CG-CB 4.18Å; Q187-L212 WeakPolarHBondContact O-CA 3.36Å; Q187-T213 PolarHBondContact O-N 3.14Å
188D93.6Very high96.6Very high65 Ų6533.7 Ų33.735%0.34817%0.166SC..  trans-105.8134.8-175.4-174.1-12.6000110.8T190 E191D188-T190 PolarHBondContact O-N 3Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.47Å; D188-T190 PolarHBondContact OD1-N 2.78Å; D188-T190 PolarHBondContact OD1-OG1 2.8Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; D188-E191 HydrophobicContact CB-CG 4.48Å; D188-E191 WeakPolarHBondContact O-CB 3.27Å; D188-E191 PolarHBondContact O-N 2.91Å; D188-E191 VanDerWaalsContact O-N 3.11Å
189W95.4Very high96.6Very high1 Ų132.2 Ų32.20%0.00416%0.158CC..Hα-helixtrans-64.5-21.6175.4-158.6-92.2000113.3E191 I192 R193 L212 I215 L222 I232 L234 F251W189-E191 PolarHBondContact O-N 3.36Å; W189-I192 HydrophobicContact CD2-CB 4.12Å; W189-I192 HydrophobicContact CD2-CG1 4.23Å; W189-I192 HydrophobicContact CD2-CG2 4.44Å; W189-I192 HydrophobicContact CE3-CG1 4.18Å; W189-I192 HydrophobicContact CG-CB 4.35Å; W189-I192 HydrophobicContact CH2-CG2 4.44Å; W189-I192 HydrophobicContact CZ2-CG2 4.05Å; W189-I192 WeakPolarHBondContact O-CA 3.48Å; W189-I192 WeakPolarHBondContact O-CB 3.19Å; W189-I192 PolarHBondContact O-N 3.26Å; W189-R193 PolarHBondContact O-N 3.29Å; W189-L212 HydrophobicContact CE3-CD1 4.12Å; W189-L212 HydrophobicContact CZ3-CD1 3.93Å; W189-I215 HydrophobicContact CD2-CB 4.17Å; W189-I215 HydrophobicContact CD2-CG1 4.15Å; W189-I215 HydrophobicContact CD2-CG2 3.84Å; W189-I215 HydrophobicContact CE3-CB 4.21Å; W189-I215 HydrophobicContact CE3-CD1 4.33Å; W189-I215 HydrophobicContact CE3-CG1 3.7Å; W189-I215 HydrophobicContact CE3-CG2 4.28Å; W189-I215 HydrophobicContact CG-CG2 4.23Å; W189-I215 HydrophobicContact CH2-CD1 3.75Å; W189-I215 HydrophobicContact CH2-CG1 4.05Å; W189-I215 HydrophobicContact CH2-CG2 4.35Å; W189-I215 HydrophobicContact CZ2-CD1 4.29Å; W189-I215 HydrophobicContact CZ2-CG1 4.48Å; W189-I215 HydrophobicContact CZ2-CG2 3.94Å; W189-I215 HydrophobicContact CZ3-CD1 3.78Å; W189-I215 HydrophobicContact CZ3-CG1 3.64Å; W189-L222 HydrophobicContact CZ2-CD2 4.27Å; W189-I232 HydrophobicContact CH2-CD1 4.15Å; W189-L234 HydrophobicContact CH2-CD2 4.4Å; W189-L234 HydrophobicContact CZ3-CD2 4.19Å; W189-F251 HydrophobicContact CZ2-CZ 4.25Å
190T94.5Very high96.4Very high49 Ų4933.7 Ų33.730%0.30117%0.168SC..Hα-helixtrans-59-25.8171.965.20000112.3D188 R193D188-T190 PolarHBondContact O-N 3Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.47Å; D188-T190 PolarHBondContact OD1-N 2.78Å; D188-T190 PolarHBondContact OD1-OG1 2.8Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; T190-R193 WeakPolarHBondContact O-CB 3.24Å
191E96.2Very high96.4Very high20 Ų2032.6 Ų32.69%0.09317%0.165CC..Hα-helixtrans-74.1-39.1172.7-56.6-53.6136.100111.5T165 V166 L186 D188 W189 R193 K194T165-E191 WeakPolarHBondContact CA-OE2 3.3Å; V166-E191 WeakPolarHBondContact CA-OE2 3.43Å; V166-E191 HydrophobicContact CB-CB 4.36Å; V166-E191 HydrophobicContact CG2-CB 4.02Å; V166-E191 PolarHBondContact N-OE2 3.08Å; L186-E191 HydrophobicContact CD2-CB 4.19Å; D188-E191 HydrophobicContact CB-CG 4.48Å; D188-E191 WeakPolarHBondContact O-CB 3.27Å; D188-E191 PolarHBondContact O-N 2.91Å; D188-E191 VanDerWaalsContact O-N 3.11Å; W189-E191 PolarHBondContact O-N 3.36Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 2.89Å; E191-K194 WeakPolarHBondContact O-CB 3.46Å; E191-K194 PolarHBondContact O-N 2.76Å; E191-K194 IonicContact OE1-NZ 3.3Å; E191-K194 PolarHBondContact OE1-NZ 3.28Å; E191-K194 IonicContact OE2-NZ 3.98Å; E191-K194 PolarHBondContact OE2-NZ 2.78Å
192I96.9Very high96.4Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-67-36.3176.2-51-50.2000111L186 W189 K194 L195 G196 L205 L207 L212 F226L186-I192 HydrophobicContact CD1-CD1 3.94Å; W189-I192 HydrophobicContact CD2-CB 4.12Å; W189-I192 HydrophobicContact CD2-CG1 4.23Å; W189-I192 HydrophobicContact CD2-CG2 4.44Å; W189-I192 HydrophobicContact CE3-CG1 4.18Å; W189-I192 HydrophobicContact CG-CB 4.35Å; W189-I192 HydrophobicContact CH2-CG2 4.44Å; W189-I192 HydrophobicContact CZ2-CG2 4.05Å; W189-I192 WeakPolarHBondContact O-CA 3.48Å; W189-I192 WeakPolarHBondContact O-CB 3.19Å; W189-I192 PolarHBondContact O-N 3.26Å; I192-K194 PolarHBondContact O-N 3.5Å; I192-L195 HydrophobicContact CD1-CD1 4.09Å; I192-L195 WeakPolarHBondContact O-CA 3.34Å; I192-L195 VanDerWaalsContact O-CB 3.29Å; I192-L195 WeakPolarHBondContact O-CB 3.43Å; I192-L195 PolarHBondContact O-N 2.98Å; I192-G196 PolarHBondContact O-N 2.93Å; I192-G196 VanDerWaalsContact O-N 3.14Å; I192-L205 HydrophobicContact CG2-CD2 4.16Å; I192-L207 HydrophobicContact CD1-CD1 3.98Å; I192-L207 HydrophobicContact CD1-CD2 3.52Å; I192-L207 HydrophobicContact CD1-CG 4.42Å; I192-L207 HydrophobicContact CG1-CD1 4.36Å; I192-L207 HydrophobicContact CG2-CD1 4.13Å; I192-L212 HydrophobicContact CD1-CD1 4.19Å; I192-L212 HydrophobicContact CD1-CD2 4.18Å; I192-L212 HydrophobicContact CG1-CD1 4.05Å; I192-L212 HydrophobicContact CG1-CD2 3.89Å; I192-F226 HydrophobicContact CG2-CE2 4.3Å; I192-F226 HydrophobicContact CG2-CZ 3.97Å; I192-F226 WeakPolarHBondContact O-CZ 3.39Å
193R96.1Very high96.4Very high102 Ų10234.4 Ų34.439%0.38517%0.174SC..Hα-helixtrans-52.8-42.2171.9173.6-178.1-163.3149.82.1112.3W189 T190 E191 L195 G196 I197 E217 L225W189-R193 PolarHBondContact O-N 3.29Å; T190-R193 WeakPolarHBondContact O-CB 3.24Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 2.89Å; R193-L195 VanDerWaalsContact C-N 3.28Å; R193-L195 PolarHBondContact O-N 2.78Å; R193-G196 PolarHBondContact O-N 3.03Å; R193-G196 VanDerWaalsContact O-N 3.15Å; R193-I197 HydrophobicContact CG-CD1 4.28Å; R193-I197 WeakPolarHBondContact O-CG1 3.34Å; R193-I197 PolarHBondContact O-N 2.91Å; R193-E217 VanDerWaalsContact CD-OE2 3.3Å; R193-E217 WeakPolarHBondContact CD-OE2 3.19Å; R193-E217 IonicContact CZ-OE2 2.69Å; R193-E217 IonicContact NE-OE2 3.76Å; R193-E217 PolarHBondContact NE-OE2 3.41Å; R193-E217 IonicContact NH1-OE1 3.53Å; R193-E217 IonicContact NH1-OE2 2.78Å; R193-E217 PolarHBondContact NH1-OE2 3.05Å; R193-L225 HydrophobicContact CB-CD1 4.24Å; R193-L225 HydrophobicContact CG-CD1 3.79Å; R193-L225 HydrophobicContact CG-CD2 4Å
194K96.6Very high96.4Very high56 Ų5632.5 Ų32.524%0.24317%0.165CC..Hα-helixtrans-64-35.7179.3-61168.1-168.5167.50111.2V166 E191 I192 I197 M198V166-K194 HydrophobicContact CB-CB 4.17Å; V166-K194 HydrophobicContact CB-CD 4.04Å; V166-K194 HydrophobicContact CG1-CB 3.63Å; V166-K194 HydrophobicContact CG1-CD 4.22Å; V166-K194 WeakPolarHBondContact O-CD 3.35Å; V166-K194 PolarHBondContact O-NZ 3.19Å; E191-K194 WeakPolarHBondContact O-CB 3.46Å; E191-K194 PolarHBondContact O-N 2.76Å; E191-K194 IonicContact OE1-NZ 3.3Å; E191-K194 PolarHBondContact OE1-NZ 3.28Å; E191-K194 IonicContact OE2-NZ 3.98Å; E191-K194 PolarHBondContact OE2-NZ 2.78Å; I192-K194 PolarHBondContact O-N 3.5Å; K194-I197 PolarHBondContact O-N 2.87Å; K194-M198 WeakPolarHBondContact O-CG 3.5Å; K194-M198 PolarHBondContact O-N 3.35Å
195L96.9Very high96.5Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-62.5-43.4172.7-54.4176.4000111.4W140 V166 L179 I192 R193 I197 M198 F199 L205W140-L195 HydrophobicContact CH2-CD2 3.8Å; V166-L195 HydrophobicContact CB-CD2 4.48Å; V166-L195 HydrophobicContact CG1-CD2 3.72Å; V166-L195 HydrophobicContact CG1-CG 4.34Å; V166-L195 HydrophobicContact CG2-CD2 3.88Å; V166-L195 HydrophobicContact CG2-CG 4.14Å; L179-L195 HydrophobicContact CD2-CB 4.4Å; L179-L195 HydrophobicContact CD2-CD1 3.97Å; L179-L195 HydrophobicContact CD2-CD2 3.94Å; L179-L195 HydrophobicContact CD2-CG 4.33Å; I192-L195 HydrophobicContact CD1-CD1 4.09Å; I192-L195 WeakPolarHBondContact O-CA 3.34Å; I192-L195 VanDerWaalsContact O-CB 3.29Å; I192-L195 WeakPolarHBondContact O-CB 3.43Å; I192-L195 PolarHBondContact O-N 2.98Å; R193-L195 VanDerWaalsContact C-N 3.28Å; R193-L195 PolarHBondContact O-N 2.78Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3Å; L195-M198 PolarHBondContact O-N 2.78Å; L195-F199 HydrophobicContact CB-CD2 4.2Å; L195-F199 HydrophobicContact CB-CE2 4.49Å; L195-F199 HydrophobicContact CD2-CE2 4Å; L195-F199 WeakPolarHBondContact O-CB 3.41Å; L195-F199 WeakPolarHBondContact O-CD2 3.39Å; L195-F199 PolarHBondContact O-N 3.1Å; L195-L205 HydrophobicContact CD1-CD1 4.47Å
196G96.1Very high96.6Very high2 Ų230.5 Ų30.52%0.02115%0.153CC..Hα-helixtrans-62.2-37.6176.400000113.2I192 R193 L225I192-G196 PolarHBondContact O-N 2.93Å; I192-G196 VanDerWaalsContact O-N 3.14Å; R193-G196 PolarHBondContact O-N 3.03Å; R193-G196 VanDerWaalsContact O-N 3.15Å; G196-L225 CarbonylContact C-O 3.53Å; G196-L225 WeakPolarHBondContact CA-O 3.26Å; G196-L225 VanDerWaalsContact O-O 3.13Å
197I94.9Very high96.7Very high76 Ų7630.5 Ų30.539%0.3915%0.153SC..Hα-helixtrans-64-43.5173.4-64.2168.4000111C172 R193 K194 L195 L225C172-I197 PolarHBondContact SG-O 2.91Å; R193-I197 HydrophobicContact CG-CD1 4.28Å; R193-I197 WeakPolarHBondContact O-CG1 3.34Å; R193-I197 PolarHBondContact O-N 2.91Å; K194-I197 PolarHBondContact O-N 2.87Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3Å; I197-L225 HydrophobicContact CD1-CD2 4.46Å; I197-L225 HydrophobicContact CG1-CD2 3.64Å
198M95.8Very high96.8Very high1 Ų125.7 Ų25.71%0.00513%0.133CC..Hα-helixtrans-74.3-30.9-177-71.3174.257.200113.1W140 L147 C172 C173 K194 L195 P200W140-M198 HydrophobicContact CZ3-CE 4.18Å; L147-M198 HydrophobicContact CD1-CE 3.36Å; C172-M198 CarbonylContact C-O 3.47Å; C172-M198 WeakPolarHBondContact CA-O 3.4Å; C173-M198 PolarHBondContact N-O 3.27Å; K194-M198 WeakPolarHBondContact O-CG 3.5Å; K194-M198 PolarHBondContact O-N 3.35Å; L195-M198 PolarHBondContact O-N 2.78Å; M198-P200 VanDerWaalsContact C-CD 3.5Å; M198-P200 WeakPolarHBondContact O-CD 3.3Å
199F96.9Very high97Very high1 Ų125.8 Ų25.80%0.00413%0.134CC..  trans-127.566.6-170.3-48.7-58.7000112.1L147 C173 L176 L179 L195 S201 L202L147-F199 HydrophobicContact CD1-CE1 3.77Å; L147-F199 HydrophobicContact CD1-CZ 3.89Å; L147-F199 HydrophobicContact CD2-CE1 3.77Å; L147-F199 HydrophobicContact CD2-CZ 4.35Å; L147-F199 HydrophobicContact CG-CE1 4.43Å; C173-F199 HydrophobicContact CB-CD1 3.92Å; C173-F199 HydrophobicContact CB-CE1 3.97Å; L176-F199 HydrophobicContact CB-CD1 3.99Å; L176-F199 HydrophobicContact CD2-CB 4.43Å; L176-F199 HydrophobicContact CD2-CD1 3.42Å; L176-F199 VanDerWaalsContact CD2-CD1 3.42Å; L176-F199 HydrophobicContact CD2-CD2 4.2Å; L176-F199 HydrophobicContact CD2-CE1 3.58Å; L176-F199 HydrophobicContact CD2-CE2 4.34Å; L176-F199 HydrophobicContact CD2-CG 3.76Å; L176-F199 HydrophobicContact CD2-CZ 4.03Å; L176-F199 HydrophobicContact CG-CD1 4.33Å; L179-F199 HydrophobicContact CD2-CD2 3.92Å; L179-F199 HydrophobicContact CD2-CE2 3.78Å; L195-F199 HydrophobicContact CB-CD2 4.2Å; L195-F199 HydrophobicContact CB-CE2 4.49Å; L195-F199 HydrophobicContact CD2-CE2 4Å; L195-F199 WeakPolarHBondContact O-CB 3.41Å; L195-F199 WeakPolarHBondContact O-CD2 3.39Å; L195-F199 PolarHBondContact O-N 3.1Å; F199-S201 PolarHBondContact O-N 3.05Å; F199-S201 VanDerWaalsContact O-N 3.14Å; F199-L202 HydrophobicContact CB-CB 4.17Å; F199-L202 HydrophobicContact CB-CD1 4.25Å; F199-L202 VanDerWaalsContact O-CB 3.25Å; F199-L202 WeakPolarHBondContact O-CB 3.4Å; F199-L202 PolarHBondContact O-N 3.32Å; F199-L202 VanDerWaalsContact O-N 3.13Å
200P95.9Very high97.1Very high31 Ų3125.9 Ų25.920%0.20113%0.134CC..THydrogen-bonded Turntrans-67.2-17.1-176.328-36.6000114.1M198 P227 N228M198-P200 VanDerWaalsContact C-CD 3.5Å; M198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-P227 WeakPolarHBondContact O-CG 3.38Å; P200-N228 PolarHBondContact O-ND2 3.27Å; P200-N228 VanDerWaalsContact O-ND2 3.13Å
201S97.8Very high96.9Very high18 Ų1827.4 Ų27.413%0.12614%0.14CC..THydrogen-bonded Turntrans-90.11.2178.1-90.50000114.2Q174 L176 K177 F199 D203Q174-S201 WeakPolarHBondContact O-CB 3.49Å; Q174-S201 PolarHBondContact O-OG 2.64Å; L176-S201 CarbonylContact O-C 3.55Å; K177-S201 WeakPolarHBondContact CD-O 3.28Å; K177-S201 PolarHBondContact NZ-OG 3.21Å; F199-S201 PolarHBondContact O-N 3.05Å; F199-S201 VanDerWaalsContact O-N 3.14Å; S201-D203 PolarHBondContact O-N 3.08Å
202L98.4Very high96.9Very high1 Ų126.4 Ų26.41%0.00514%0.136CC..  trans-61.3127.7-172-158.773.3000111L176 K177 L179 F199 L205 F226 N228 L229L176-L202 HydrophobicContact CD2-CD1 4.2Å; L176-L202 HydrophobicContact CG-CD1 4.38Å; K177-L202 WeakPolarHBondContact O-CD1 3.2Å; L179-L202 HydrophobicContact CB-CD1 3.75Å; L179-L202 HydrophobicContact CB-CD2 4.26Å; F199-L202 HydrophobicContact CB-CB 4.17Å; F199-L202 HydrophobicContact CB-CD1 4.25Å; F199-L202 VanDerWaalsContact O-CB 3.25Å; F199-L202 WeakPolarHBondContact O-CB 3.4Å; F199-L202 PolarHBondContact O-N 3.32Å; F199-L202 VanDerWaalsContact O-N 3.13Å; L202-L205 HydrophobicContact CD2-CB 3.73Å; L202-L205 HydrophobicContact CD2-CD1 3.95Å; L202-L205 HydrophobicContact CD2-CD2 4.3Å; L202-L205 HydrophobicContact CD2-CG 4.19Å; L202-F226 HydrophobicContact CD2-CD1 4.48Å; L202-F226 HydrophobicContact CD2-CE1 4.21Å; L202-N228 CarbonylContact O-C 3.57Å; L202-L229 HydrophobicContact CD2-CD1 4.33Å; L202-L229 HydrophobicContact CG-CD1 4.46Å; L202-L229 WeakPolarHBondContact O-CA 3.47Å; L202-L229 PolarHBondContact O-N 3.11Å
203D98.7Very high96.8Very high54 Ų5429.2 Ų29.229%0.28915%0.153SC..  trans-99.6-42.7178.3173.2-82.8000110.6K177 S201 L229 R230 S231K177-D203 HydrophobicContact CB-CB 4.31Å; K177-D203 WeakPolarHBondContact O-CA 3.28Å; K177-D203 WeakPolarHBondContact O-CB 3.28Å; K177-D203 PolarHBondContact O-N 3.26Å; S201-D203 PolarHBondContact O-N 3.08Å; D203-L229 WeakPolarHBondContact O-CD1 3.5Å; D203-R230 PolarHBondContact O-N 2.95Å; D203-R230 VanDerWaalsContact OD2-CD 3.23Å; D203-R230 WeakPolarHBondContact OD2-CD 3.34Å; D203-S231 PolarHBondContact O-N 2.95Å
204T98.9Very high96.7Very high22 Ų2226 Ų2614%0.13515%0.145CC..EExtended strand (participates in β ladder)trans-128.6124.1-175.8-68.20000110.7K177 L178 L179 I206 S231K177-T204 PolarHBondContact O-N 3.24Å; L178-T204 WeakPolarHBondContact CA-O 3.24Å; L178-T204 HydrophobicContact CD1-CG2 4.01Å; L178-T204 HydrophobicContact CG-CG2 4.06Å; L179-T204 PolarHBondContact N-O 3.13Å; T204-I206 HydrophobicContact CG2-CD1 4.23Å; T204-I206 HydrophobicContact CG2-CG1 3.92Å; T204-S231 WeakPolarHBondContact CA-O 3.25Å
205L98.8Very high96.6Very high1 Ų123.4 Ų23.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-120.4117.5176.5-179.254.3000110.5L179 I192 L195 L202 L207 F226 L229 S231 I232 N233L179-L205 HydrophobicContact CB-CD1 4.2Å; L179-L205 HydrophobicContact CD2-CD1 4.06Å; L179-L205 HydrophobicContact CG-CD1 4.27Å; I192-L205 HydrophobicContact CG2-CD2 4.16Å; L195-L205 HydrophobicContact CD1-CD1 4.47Å; L202-L205 HydrophobicContact CD2-CB 3.73Å; L202-L205 HydrophobicContact CD2-CD1 3.95Å; L202-L205 HydrophobicContact CD2-CD2 4.3Å; L202-L205 HydrophobicContact CD2-CG 4.19Å; L205-L207 HydrophobicContact CD1-CD1 4.29Å; L205-L207 HydrophobicContact CD1-CD2 4.37Å; L205-L207 HydrophobicContact CD1-CG 4.02Å; L205-L207 HydrophobicContact CD2-CD1 3.69Å; L205-L207 HydrophobicContact CD2-CG 4.33Å; L205-L207 HydrophobicContact CG-CD1 3.76Å; L205-L207 HydrophobicContact CG-CG 3.88Å; L205-F226 HydrophobicContact CD2-CE1 3.93Å; L205-F226 HydrophobicContact CD2-CZ 4.14Å; L205-L229 HydrophobicContact CB-CD1 3.66Å; L205-S231 PolarHBondContact N-O 3.14Å; L205-I232 HydrophobicContact CB-CG1 4.46Å; L205-I232 WeakPolarHBondContact O-CA 3.36Å; L205-N233 PolarHBondContact O-N 3.18Å
206I98.8Very high96.2Very high27 Ų2729 Ų2914%0.13816%0.16CC..EExtended strand (participates in β ladder)trans-112.2109.7-179.5-51.5177.1000109.7L179 H180 I181 T204 N233L179-I206 PolarHBondContact O-N 3.01Å; H180-I206 HydrophobicContact CB-CB 4.25Å; H180-I206 HydrophobicContact CB-CD1 4.41Å; H180-I206 WeakPolarHBondContact CD2-CG2 3.46Å; H180-I206 WeakPolarHBondContact NE2-CG2 2.97Å; I181-I206 PolarHBondContact N-O 3.07Å; T204-I206 HydrophobicContact CG2-CD1 4.23Å; T204-I206 HydrophobicContact CG2-CG1 3.92Å; I206-N233 HydrophobicContact CB-CB 4.36Å; I206-N233 HydrophobicContact CG1-CB 4.41Å; I206-N233 HydrophobicContact CG2-CB 3.94Å
207L98.3Very high95.9Very high0 Ų030 Ų300%016%0.164CC..  trans-117.816.3-175.2-72.3163.9000112.4I181 L186 I192 L205 N210 L212 N233 L234I181-L207 HydrophobicContact CG2-CD2 3.4Å; I181-L207 HydrophobicContact CG2-CG 4.35Å; L186-L207 HydrophobicContact CD1-CD2 4.29Å; I192-L207 HydrophobicContact CD1-CD1 3.98Å; I192-L207 HydrophobicContact CD1-CD2 3.52Å; I192-L207 HydrophobicContact CD1-CG 4.42Å; I192-L207 HydrophobicContact CG1-CD1 4.36Å; I192-L207 HydrophobicContact CG2-CD1 4.13Å; L205-L207 HydrophobicContact CD1-CD1 4.29Å; L205-L207 HydrophobicContact CD1-CD2 4.37Å; L205-L207 HydrophobicContact CD1-CG 4.02Å; L205-L207 HydrophobicContact CD2-CD1 3.69Å; L205-L207 HydrophobicContact CD2-CG 4.33Å; L205-L207 HydrophobicContact CG-CD1 3.76Å; L205-L207 HydrophobicContact CG-CG 3.88Å; L207-N210 WeakPolarHBondContact O-CB 3.47Å; L207-N210 PolarHBondContact O-N 2.78Å; L207-N210 PolarHBondContact O-ND2 3.41Å; L207-L212 HydrophobicContact CB-CD1 4.42Å; L207-L212 HydrophobicContact CD1-CD1 4.07Å; L207-N233 CarbonylContact C-O 3.54Å; L207-N233 WeakPolarHBondContact CA-O 3.23Å; L207-N233 WeakPolarHBondContact CB-O 3.35Å; L207-N233 PolarHBondContact N-O 3.38Å; L207-L234 HydrophobicContact CB-CD2 4.09Å; L207-L234 HydrophobicContact CD1-CD2 3.93Å
208A98.2Very high95.5Very high12 Ų1229.3 Ų29.310%0.09917%0.166CC..THydrogen-bonded Turntrans-55.8144.5-174.100000112.2T182 D183 N210 N233 H235T182-A208 CarbonylContact C-O 3.45Å; T182-A208 WeakPolarHBondContact CA-O 3.36Å; T182-A208 WeakPolarHBondContact CB-O 3.47Å; T182-A208 HydrophobicContact CG2-CB 4.1Å; T182-A208 VanDerWaalsContact CG2-O 3.28Å; T182-A208 WeakPolarHBondContact CG2-O 3.34Å; T182-A208 WeakPolarHBondContact OG1-CB 3.29Å; T182-A208 PolarHBondContact OG1-N 2.89Å; T182-A208 VanDerWaalsContact OG1-N 3.15Å; T182-A208 PolarHBondContact OG1-O 3.22Å; D183-A208 PolarHBondContact N-O 2.88Å; A208-N210 PolarHBondContact O-N 3Å; A208-N233 PolarHBondContact N-O 3.36Å; A208-H235 CarbonylContact C-O 3.26Å; A208-H235 VanDerWaalsContact CA-O 3.23Å; A208-H235 WeakPolarHBondContact CA-O 3.31Å; A208-H235 HydrophobicContact CB-CB 3.76Å
209N97.5Very high94.9Very high68 Ų6835.5 Ų35.536%0.36420%0.195SC..THydrogen-bonded Turntrans55.433-179.1-149.148.2000114.4D183 H235 K236D183-N209 VanDerWaalsContact OD1-CB 3.3Å; D183-N209 WeakPolarHBondContact OD1-CB 3.47Å; D183-N209 PolarHBondContact OD1-ND2 3.33Å; N209-H235 PolarHBondContact N-O 2.88Å; N209-K236 HydrophobicContact CB-CB 4.49Å; N209-K236 HydrophobicContact CB-CD 4.44Å; N209-K236 WeakPolarHBondContact OD1-CD 3.42Å
210N96Very high94.4Very high2 Ų241.6 Ų41.61%0.01123%0.227CC..  trans-97.9150.5156.7-73.8-87.6000108.7I181 N184 L186 L207 A208 L212 S237I181-N210 PolarHBondContact O-ND2 2.7Å; N184-N210 VanDerWaalsContact CB-OD1 3.28Å; N184-N210 WeakPolarHBondContact CB-OD1 3.33Å; N184-N210 PolarHBondContact O-OD1 3.16Å; L186-N210 HydrophobicContact CB-CB 4.24Å; L186-N210 WeakPolarHBondContact CB-OD1 3.43Å; L186-N210 PolarHBondContact N-OD1 2.92Å; L186-N210 VanDerWaalsContact N-OD1 3.15Å; L207-N210 WeakPolarHBondContact O-CB 3.47Å; L207-N210 PolarHBondContact O-N 2.78Å; L207-N210 PolarHBondContact O-ND2 3.41Å; A208-N210 PolarHBondContact O-N 3Å; N210-L212 VanDerWaalsContact C-N 3.27Å; N210-L212 HydrophobicContact CB-CG 4.37Å; N210-L212 PolarHBondContact O-N 2.97Å; N210-L212 VanDerWaalsContact O-N 3.14Å; N210-S237 WeakPolarHBondContact O-CA 3.33Å
211N92.1Very high94.3Very high81 Ų8140.4 Ų40.443%0.43322%0.22SC..  trans-91.448.2-175.8-171.548.1000112.8L186 Q187 T213L186-N211 CarbonylContact O-C 3.24Å; L186-N211 PolarHBondContact O-N 3.05Å; L186-N211 VanDerWaalsContact O-N 3.12Å; Q187-N211 WeakPolarHBondContact CA-O 3.31Å; Q187-N211 HydrophobicContact CG-CB 4.18Å; N211-T213 PolarHBondContact O-N 3.33Å
212L95.6Very high94.1Very high0 Ų039.6 Ų39.60%021%0.214CC..  trans-66.7114.1176.2-64.5171.2000109.8L186 Q187 W189 I192 L207 N210 L234 G238 L239L186-L212 HydrophobicContact CB-CD2 4.41Å; L186-L212 PolarHBondContact O-N 2.83Å; Q187-L212 WeakPolarHBondContact O-CA 3.36Å; W189-L212 HydrophobicContact CE3-CD1 4.12Å; W189-L212 HydrophobicContact CZ3-CD1 3.93Å; I192-L212 HydrophobicContact CD1-CD1 4.19Å; I192-L212 HydrophobicContact CD1-CD2 4.18Å; I192-L212 HydrophobicContact CG1-CD1 4.05Å; I192-L212 HydrophobicContact CG1-CD2 3.89Å; L207-L212 HydrophobicContact CB-CD1 4.42Å; L207-L212 HydrophobicContact CD1-CD1 4.07Å; N210-L212 VanDerWaalsContact C-N 3.27Å; N210-L212 HydrophobicContact CB-CG 4.37Å; N210-L212 PolarHBondContact O-N 2.97Å; N210-L212 VanDerWaalsContact O-N 3.14Å; L212-L234 HydrophobicContact CD1-CD2 4.08Å; L212-G238 CarbonylContact O-C 3.47Å; L212-G238 VanDerWaalsContact O-C 3.23Å; L212-G238 VanDerWaalsContact O-CA 3.27Å; L212-G238 WeakPolarHBondContact O-CA 3.22Å; L212-G238 PolarHBondContact O-N 2.79Å; L212-L239 PolarHBondContact O-N 3.14Å
213T93.6Very high94Very high59 Ų5941 Ų4136%0.36223%0.226SC..  trans-90.9-29.8-173.4530000113.5Q187 N211 G238Q187-T213 PolarHBondContact O-N 3.14Å; N211-T213 PolarHBondContact O-N 3.33Å; T213-G238 WeakPolarHBondContact CA-O 3.2Å
214T94.7Very high93.9Very high35 Ų3546.8 Ų46.822%0.21524%0.244CC..  trans-152.5161.5179.6-1750000112.1E216 D244T214-E216 HydrophobicContact CG2-CG 3.62Å; T214-E216 WeakPolarHBondContact CG2-OE1 3.39Å; T214-D244 WeakPolarHBondContact CA-OD2 3.29Å; T214-D244 WeakPolarHBondContact CB-OD2 3.45Å; T214-D244 PolarHBondContact OG1-OD1 3.05Å; T214-D244 VanDerWaalsContact OG1-OD1 3.07Å; T214-D244 PolarHBondContact OG1-OD2 3.43Å
215I94.8Very high93.8Very high0 Ų046.6 Ų46.60%024%0.242CC..  trans-103.383176.6-56.5-167.3000108.6W189 E217 L222 L239 D244 K247 L248W189-I215 HydrophobicContact CD2-CB 4.17Å; W189-I215 HydrophobicContact CD2-CG1 4.15Å; W189-I215 HydrophobicContact CD2-CG2 3.84Å; W189-I215 HydrophobicContact CE3-CB 4.21Å; W189-I215 HydrophobicContact CE3-CD1 4.33Å; W189-I215 HydrophobicContact CE3-CG1 3.7Å; W189-I215 HydrophobicContact CE3-CG2 4.28Å; W189-I215 HydrophobicContact CG-CG2 4.23Å; W189-I215 HydrophobicContact CH2-CD1 3.75Å; W189-I215 HydrophobicContact CH2-CG1 4.05Å; W189-I215 HydrophobicContact CH2-CG2 4.35Å; W189-I215 HydrophobicContact CZ2-CD1 4.29Å; W189-I215 HydrophobicContact CZ2-CG1 4.48Å; W189-I215 HydrophobicContact CZ2-CG2 3.94Å; W189-I215 HydrophobicContact CZ3-CD1 3.78Å; W189-I215 HydrophobicContact CZ3-CG1 3.64Å; I215-E217 VanDerWaalsContact C-N 3.3Å; I215-E217 PolarHBondContact O-N 3.3Å; I215-L222 HydrophobicContact CG2-CD1 4.12Å; I215-L222 HydrophobicContact CG2-CD2 4.4Å; I215-L239 HydrophobicContact CG1-CD2 4.22Å; I215-D244 HydrophobicContact CB-CB 4.37Å; I215-D244 HydrophobicContact CD1-CB 4.49Å; I215-D244 VanDerWaalsContact CD1-O 3.31Å; I215-D244 WeakPolarHBondContact CD1-O 3.45Å; I215-D244 HydrophobicContact CG1-CB 4.07Å; I215-D244 PolarHBondContact N-OD1 3.35Å; I215-K247 HydrophobicContact CB-CD 3.89Å; I215-K247 HydrophobicContact CG2-CB 4.26Å; I215-K247 HydrophobicContact CG2-CD 3.91Å; I215-K247 VanDerWaalsContact O-CD 3.23Å; I215-K247 WeakPolarHBondContact O-CD 3.12Å; I215-K247 WeakPolarHBondContact O-CE 3.37Å; I215-K247 PolarHBondContact O-NZ 3.41Å; I215-L248 HydrophobicContact CD1-CD2 3.74Å
216E88.9Confident93.7Very high118 Ų11846.7 Ų46.755%0.55124%0.242SC*.  trans-83.364.3-178.2-73.4-179-169.200112.9T214T214-E216 HydrophobicContact CG2-CG 3.62Å; T214-E216 WeakPolarHBondContact CG2-OE1 3.39Å
217E88.9Confident93.6Very high23 Ų2347.3 Ų47.311%0.10725%0.248CC..SBendtrans-143.7145.1174-168.256.9-104.200110.6R193 I215 S221 L222 L225R193-E217 VanDerWaalsContact CD-OE2 3.3Å; R193-E217 WeakPolarHBondContact CD-OE2 3.19Å; R193-E217 IonicContact CZ-OE2 2.69Å; R193-E217 IonicContact NE-OE2 3.76Å; R193-E217 PolarHBondContact NE-OE2 3.41Å; R193-E217 IonicContact NH1-OE1 3.53Å; R193-E217 IonicContact NH1-OE2 2.78Å; R193-E217 PolarHBondContact NH1-OE2 3.05Å; I215-E217 VanDerWaalsContact C-N 3.3Å; I215-E217 PolarHBondContact O-N 3.3Å; E217-S221 WeakPolarHBondContact OE1-CB 3.37Å; E217-S221 PolarHBondContact OE1-OG 3.23Å; E217-L222 HydrophobicContact CB-CD2 3.83Å; E217-L222 HydrophobicContact CB-CG 4.02Å; E217-L222 HydrophobicContact CG-CD2 3.97Å; E217-L222 HydrophobicContact CG-CG 4.05Å; E217-L225 HydrophobicContact CG-CD1 3.98Å
218S86.4Confident93.6Very high62 Ų6249.9 Ų49.943%0.43426%0.262SS..  trans-69.6153176.369.80000110.7D220 S221 L222S218-D220 VanDerWaalsContact C-N 3.32Å; S218-D220 PolarHBondContact O-N 3.38Å; S218-S221 WeakPolarHBondContact O-CA 3.36Å; S218-S221 WeakPolarHBondContact O-CB 3.48Å; S218-S221 PolarHBondContact O-N 2.9Å; S218-S221 WeakPolarHBondContact OG-CB 3.23Å; S218-S221 PolarHBondContact OG-N 3.19Å; S218-S221 PolarHBondContact OG-OG 3.09Å; S218-S221 VanDerWaalsContact OG-OG 3.05Å; S218-L222 PolarHBondContact O-N 3.42Å
219E84.4Confident93.7Very high130 Ų13049.3 Ų49.361%0.60726%0.257SS*.Hα-helixtrans-55.3-46.8-179.5-58.4-174-172.800111.8S221 L222 A223 S250E219-S221 PolarHBondContact O-N 3.14Å; E219-L222 PolarHBondContact O-N 2.9Å; E219-A223 PolarHBondContact O-N 3.42Å; E219-S250 WeakPolarHBondContact CA-OG 3.32Å; E219-S250 VanDerWaalsContact CB-OG 3.22Å; E219-S250 WeakPolarHBondContact CB-OG 3.36Å; E219-S250 VanDerWaalsContact CG-OG 3.27Å; E219-S250 WeakPolarHBondContact CG-OG 3.19Å
220D86.4Confident93.7Very high129 Ų12950.7 Ų50.769%0.6926%0.258SS*.Hα-helixtrans-61.3-29.3175.8-74.7-28.3000113.5S218 R224S218-D220 VanDerWaalsContact C-N 3.32Å; S218-D220 PolarHBondContact O-N 3.38Å; D220-R224 VanDerWaalsContact O-CG 3.3Å; D220-R224 WeakPolarHBondContact O-CG 3.39Å; D220-R224 PolarHBondContact O-N 3.01Å; D220-R224 PolarHBondContact O-NE 3.2Å
221S93.1Very high93.9Very high7 Ų751.2 Ų51.25%0.04926%0.261CS..Hα-helixtrans-78.2-42177.4-75.80000111.6E217 S218 E219 A223 R224 L225E217-S221 WeakPolarHBondContact OE1-CB 3.37Å; E217-S221 PolarHBondContact OE1-OG 3.23Å; S218-S221 WeakPolarHBondContact O-CA 3.36Å; S218-S221 WeakPolarHBondContact O-CB 3.48Å; S218-S221 PolarHBondContact O-N 2.9Å; S218-S221 WeakPolarHBondContact OG-CB 3.23Å; S218-S221 PolarHBondContact OG-N 3.19Å; S218-S221 PolarHBondContact OG-OG 3.09Å; S218-S221 VanDerWaalsContact OG-OG 3.05Å; E219-S221 PolarHBondContact O-N 3.14Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 2.88Å; S221-R224 PolarHBondContact O-N 3.42Å; S221-R224 VanDerWaalsContact O-N 3.15Å; S221-R224 PolarHBondContact OG-NH2 2.91Å; S221-L225 WeakPolarHBondContact O-CB 2.8Å; S221-L225 WeakPolarHBondContact O-CD1 3.26Å; S221-L225 WeakPolarHBondContact O-CG 3.34Å; S221-L225 PolarHBondContact O-N 3.11Å
222L94.5Very high94.2Very high0 Ų047.4 Ų47.40%024%0.241CC..Hα-helixtrans-57.4-45.3176.3-71.1175.7000111.5W189 I215 E217 S218 E219 R224 L225 F226 K247 F251W189-L222 HydrophobicContact CZ2-CD2 4.27Å; I215-L222 HydrophobicContact CG2-CD1 4.12Å; I215-L222 HydrophobicContact CG2-CD2 4.4Å; E217-L222 HydrophobicContact CB-CD2 3.83Å; E217-L222 HydrophobicContact CB-CG 4.02Å; E217-L222 HydrophobicContact CG-CD2 3.97Å; E217-L222 HydrophobicContact CG-CG 4.05Å; S218-L222 PolarHBondContact O-N 3.42Å; E219-L222 PolarHBondContact O-N 2.9Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.83Å; L222-L225 PolarHBondContact O-N 3.15Å; L222-F226 PolarHBondContact O-N 2.81Å; L222-K247 HydrophobicContact CD1-CB 4.11Å; L222-F251 HydrophobicContact CB-CD1 4.41Å; L222-F251 HydrophobicContact CB-CE1 4.04Å; L222-F251 HydrophobicContact CB-CZ 4.42Å; L222-F251 HydrophobicContact CD1-CZ 4.44Å; L222-F251 HydrophobicContact CD2-CE1 4.03Å; L222-F251 HydrophobicContact CD2-CZ 3.85Å; L222-F251 HydrophobicContact CG-CZ 4.47Å
223A95.4Very high94.3Very high32 Ų3248.1 Ų48.126%0.26425%0.245SC..Hα-helixtrans-60.7-36.8177.600000113.1E219 S221 P227 S250E219-A223 PolarHBondContact O-N 3.42Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 2.88Å; A223-P227 WeakPolarHBondContact O-CA 3.46Å; A223-S250 WeakPolarHBondContact CB-O 3.32Å
224R96.3Very high94.6Very high174 Ų17445.3 Ų45.366%0.65723%0.227SC*.Hα-helixtrans-77.7-36.4178.6-73.4-178.4-61128.9-0.8113.3D220 S221 L222D220-R224 VanDerWaalsContact O-CG 3.3Å; D220-R224 WeakPolarHBondContact O-CG 3.39Å; D220-R224 PolarHBondContact O-N 3.01Å; D220-R224 PolarHBondContact O-NE 3.2Å; S221-R224 PolarHBondContact O-N 3.42Å; S221-R224 VanDerWaalsContact O-N 3.15Å; S221-R224 PolarHBondContact OG-NH2 2.91Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.83Å
225L96.4Very high94.7Very high19 Ų1945.6 Ų45.610%0.09923%0.226CC..Hα-helixtrans-73.2-36.3-179.2-71165.5000111.6R193 G196 I197 E217 S221 L222 P227R193-L225 HydrophobicContact CB-CD1 4.24Å; R193-L225 HydrophobicContact CG-CD1 3.79Å; R193-L225 HydrophobicContact CG-CD2 4Å; G196-L225 CarbonylContact C-O 3.53Å; G196-L225 WeakPolarHBondContact CA-O 3.26Å; G196-L225 VanDerWaalsContact O-O 3.13Å; I197-L225 HydrophobicContact CD1-CD2 4.46Å; I197-L225 HydrophobicContact CG1-CD2 3.64Å; E217-L225 HydrophobicContact CG-CD1 3.98Å; S221-L225 WeakPolarHBondContact O-CB 2.8Å; S221-L225 WeakPolarHBondContact O-CD1 3.26Å; S221-L225 WeakPolarHBondContact O-CG 3.34Å; S221-L225 PolarHBondContact O-N 3.11Å; L222-L225 PolarHBondContact O-N 3.15Å; L225-P227 VanDerWaalsContact C-CD 3.44Å; L225-P227 WeakPolarHBondContact O-CD 3.45Å
226F97.6Very high94.9Very high2 Ų251.8 Ų51.81%0.00925%0.253CS..  trans-130.561.5-174.5-64.4-77.2000111.6I192 L202 L205 L222 N228 L229 F251I192-F226 HydrophobicContact CG2-CE2 4.3Å; I192-F226 HydrophobicContact CG2-CZ 3.97Å; I192-F226 WeakPolarHBondContact O-CZ 3.39Å; L202-F226 HydrophobicContact CD2-CD1 4.48Å; L202-F226 HydrophobicContact CD2-CE1 4.21Å; L205-F226 HydrophobicContact CD2-CE1 3.93Å; L205-F226 HydrophobicContact CD2-CZ 4.14Å; L222-F226 PolarHBondContact O-N 2.81Å; F226-N228 PolarHBondContact O-N 3.22Å; F226-L229 HydrophobicContact CB-CB 3.88Å; F226-L229 HydrophobicContact CB-CD2 4.22Å; F226-L229 HydrophobicContact CD1-CD2 4.44Å; F226-L229 HydrophobicContact CG-CD2 4.39Å; F226-L229 PolarHBondContact O-N 3.47Å; F226-F251 HydrophobicContact CB-CD1 3.77Å; F226-F251 HydrophobicContact CB-CE1 3.68Å; F226-F251 AromaticContact CD2-CE1 3.72Å; F226-F251 HydrophobicContact CD2-CE1 3.72Å; F226-F251 AromaticContact CG-CE1 3.97Å; F226-F251 HydrophobicContact CG-CE1 3.97Å
227P97.6Very high95.2Very high41 Ų4146.3 Ų46.327%0.26623%0.228SC..THydrogen-bonded Turntrans-70.4-16.3-172.129.5-36.5000113.8P200 A223 L225 K253P200-P227 WeakPolarHBondContact O-CG 3.38Å; A223-P227 WeakPolarHBondContact O-CA 3.46Å; L225-P227 VanDerWaalsContact C-CD 3.44Å; L225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-K253 WeakPolarHBondContact O-CE 3.45Å
228N98.3Very high95.6Very high54 Ų5445.3 Ų45.329%0.28922%0.224SC..THydrogen-bonded Turntrans-114.80.3-176.5-65.2-59.8000114P200 L202 F226 R230 K253P200-N228 PolarHBondContact O-ND2 3.27Å; P200-N228 VanDerWaalsContact O-ND2 3.13Å; L202-N228 CarbonylContact O-C 3.57Å; F226-N228 PolarHBondContact O-N 3.22Å; N228-R230 PolarHBondContact O-N 2.94Å; N228-K253 PolarHBondContact OD1-NZ 3.4Å
229L98.7Very high96.1Very high0 Ų042.4 Ų42.40%020%0.203CC..  trans-68119.9-172.8-169.775000110.7L202 D203 L205 F226 I232 F251 K253 L254L202-L229 HydrophobicContact CD2-CD1 4.33Å; L202-L229 HydrophobicContact CG-CD1 4.46Å; L202-L229 WeakPolarHBondContact O-CA 3.47Å; L202-L229 PolarHBondContact O-N 3.11Å; D203-L229 WeakPolarHBondContact O-CD1 3.5Å; L205-L229 HydrophobicContact CB-CD1 3.66Å; F226-L229 HydrophobicContact CB-CB 3.88Å; F226-L229 HydrophobicContact CB-CD2 4.22Å; F226-L229 HydrophobicContact CD1-CD2 4.44Å; F226-L229 HydrophobicContact CG-CD2 4.39Å; F226-L229 PolarHBondContact O-N 3.47Å; L229-I232 HydrophobicContact CD2-CB 4.19Å; L229-I232 HydrophobicContact CD2-CD1 4.27Å; L229-I232 HydrophobicContact CD2-CG1 4.47Å; L229-F251 HydrophobicContact CD2-CD1 4.07Å; L229-F251 HydrophobicContact CD2-CE1 4.04Å; L229-F251 HydrophobicContact CD2-CG 4.39Å; L229-F251 HydrophobicContact CD2-CZ 4.32Å; L229-K253 CarbonylContact O-C 3.6Å; L229-K253 VanDerWaalsContact O-C 3.26Å; L229-L254 WeakPolarHBondContact O-CA 3.17Å; L229-L254 PolarHBondContact O-N 2.9Å
230R98.8Very high96.6Very high97 Ų9742 Ų4237%0.36620%0.201SC..  trans-105.6-32.6178.9-70.9-174.3169.8-101-12.5112.6D203 N228 K253 E255 E256D203-R230 PolarHBondContact O-N 2.95Å; D203-R230 VanDerWaalsContact OD2-CD 3.23Å; D203-R230 WeakPolarHBondContact OD2-CD 3.34Å; N228-R230 PolarHBondContact O-N 2.94Å; R230-K253 WeakPolarHBondContact CA-O 3.5Å; R230-K253 HydrophobicContact CG-CB 4.28Å; R230-E255 IonicContact CZ-OE1 3.01Å; R230-E255 IonicContact CZ-OE2 2.91Å; R230-E255 IonicContact NH1-OE1 2.63Å; R230-E255 PolarHBondContact NH1-OE1 3.09Å; R230-E255 IonicContact NH1-OE2 2.73Å; R230-E255 PolarHBondContact NH1-OE2 3.33Å; R230-E255 IonicContact NH2-OE1 3.23Å; R230-E255 PolarHBondContact O-N 2.84Å; R230-E256 PolarHBondContact O-N 3.37Å
231S98.8Very high97Very high13 Ų1337.9 Ų37.99%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-130.6126.8-178.4171.50000111.4D203 T204 L205 E256D203-S231 PolarHBondContact O-N 2.95Å; T204-S231 WeakPolarHBondContact CA-O 3.25Å; L205-S231 PolarHBondContact N-O 3.14Å; S231-E256 WeakPolarHBondContact CA-O 3.42Å
232I98.8Very high97.1Very high0 Ų038.6 Ų38.60%018%0.184CC..EExtended strand (participates in β ladder)trans-124.2133.8170.6-161.8173.8000111.3W189 L205 L229 L234 F251 L254 E256 V257 K258W189-I232 HydrophobicContact CH2-CD1 4.15Å; L205-I232 HydrophobicContact CB-CG1 4.46Å; L205-I232 WeakPolarHBondContact O-CA 3.36Å; L229-I232 HydrophobicContact CD2-CB 4.19Å; L229-I232 HydrophobicContact CD2-CD1 4.27Å; L229-I232 HydrophobicContact CD2-CG1 4.47Å; I232-L234 HydrophobicContact CD1-CD1 4.12Å; I232-L234 HydrophobicContact CD1-CD2 4.1Å; I232-L234 HydrophobicContact CD1-CG 4.11Å; I232-L234 HydrophobicContact CG1-CD2 4.29Å; I232-L234 HydrophobicContact CG1-CG 4.1Å; I232-F251 HydrophobicContact CD1-CE2 4.45Å; I232-L254 HydrophobicContact CB-CD1 4.25Å; I232-L254 HydrophobicContact CG2-CD1 3.89Å; I232-L254 HydrophobicContact CG2-CD2 4.45Å; I232-E256 PolarHBondContact N-O 3.49Å; I232-V257 HydrophobicContact CG2-CG2 4.06Å; I232-K258 PolarHBondContact O-N 3.02Å
233N98.8Very high97.2Very high15 Ų1544.3 Ų44.38%0.0821%0.21CC..EExtended strand (participates in β ladder)trans-116.1111.2174.2-175.40.4000111.9L205 I206 L207 A208 H235 K258L205-N233 PolarHBondContact O-N 3.18Å; I206-N233 HydrophobicContact CB-CB 4.36Å; I206-N233 HydrophobicContact CG1-CB 4.41Å; I206-N233 HydrophobicContact CG2-CB 3.94Å; L207-N233 CarbonylContact C-O 3.54Å; L207-N233 WeakPolarHBondContact CA-O 3.23Å; L207-N233 WeakPolarHBondContact CB-O 3.35Å; L207-N233 PolarHBondContact N-O 3.38Å; A208-N233 PolarHBondContact N-O 3.36Å; N233-H235 VanDerWaalsContact OD1-CB 3.26Å; N233-H235 WeakPolarHBondContact OD1-CB 3.38Å; N233-H235 PolarHBondContact OD1-CD2 2.99Å; N233-H235 PolarHBondContact OD1-N 3.16Å; N233-K258 HydrophobicContact CB-CB 3.87Å; N233-K258 HydrophobicContact CB-CD 4.1Å; N233-K258 HydrophobicContact CB-CG 4.49Å; N233-K258 WeakPolarHBondContact OD1-CB 3.29Å
234L98.4Very high97.2Very high0 Ų042.9 Ų42.90%020%0.198CC..  trans-115.126.9178.5-60.4172.4000110.4W189 L207 L212 I232 K236 S237 L239 L248 K258 L259 I262W189-L234 HydrophobicContact CH2-CD2 4.4Å; W189-L234 HydrophobicContact CZ3-CD2 4.19Å; L207-L234 HydrophobicContact CB-CD2 4.09Å; L207-L234 HydrophobicContact CD1-CD2 3.93Å; L212-L234 HydrophobicContact CD1-CD2 4.08Å; I232-L234 HydrophobicContact CD1-CD1 4.12Å; I232-L234 HydrophobicContact CD1-CD2 4.1Å; I232-L234 HydrophobicContact CD1-CG 4.11Å; I232-L234 HydrophobicContact CG1-CD2 4.29Å; I232-L234 HydrophobicContact CG1-CG 4.1Å; L234-K236 PolarHBondContact O-N 3.15Å; L234-S237 WeakPolarHBondContact O-CB 3.49Å; L234-S237 PolarHBondContact O-N 2.77Å; L234-S237 VanDerWaalsContact O-N 3.11Å; L234-S237 PolarHBondContact O-OG 3.17Å; L234-L239 HydrophobicContact CD1-CD1 4.22Å; L234-L248 HydrophobicContact CD1-CD2 4.08Å; L234-K258 CarbonylContact C-O 3.53Å; L234-K258 PolarHBondContact N-O 2.94Å; L234-L259 HydrophobicContact CB-CD2 3.91Å; L234-L259 HydrophobicContact CD1-CD2 4.24Å; L234-I262 WeakPolarHBondContact O-CD1 3.41Å
235H98.4Very high97.2Very high41 Ų4134.6 Ų34.619%0.1917%0.167CC..THydrogen-bonded Turntrans-51.1134.4175.1-80.9-173.2000110.4A208 N209 N233 S237 K258 L259 L260 N288A208-H235 CarbonylContact C-O 3.26Å; A208-H235 VanDerWaalsContact CA-O 3.23Å; A208-H235 WeakPolarHBondContact CA-O 3.31Å; A208-H235 HydrophobicContact CB-CB 3.76Å; N209-H235 PolarHBondContact N-O 2.88Å; N233-H235 VanDerWaalsContact OD1-CB 3.26Å; N233-H235 WeakPolarHBondContact OD1-CB 3.38Å; N233-H235 PolarHBondContact OD1-CD2 2.99Å; N233-H235 PolarHBondContact OD1-N 3.16Å; H235-S237 PolarHBondContact O-N 3.38Å; H235-S237 VanDerWaalsContact O-N 3.14Å; H235-K258 PolarHBondContact CD2-O 2.96Å; H235-K258 PolarHBondContact N-O 3.27Å; H235-K258 WeakPolarHBondContact NE2-CB 3.49Å; H235-L259 PolarHBondContact CD2-N 2.94Å; H235-L259 VanDerWaalsContact CD2-N 3.3Å; H235-L260 CarbonylContact C-O 3.54Å; H235-L260 VanDerWaalsContact CA-O 3.22Å; H235-L260 WeakPolarHBondContact CA-O 3.39Å; H235-L260 PolarHBondContact CD2-N 2.89Å; H235-L260 WeakPolarHBondContact NE2-CG 3.41Å; H235-L260 PolarHBondContact NE2-N 3.34Å; H235-N288 PolarHBondContact NE2-OD1 2.83Å; H235-N288 VanDerWaalsContact NE2-OD1 3.12Å
236K97.5Very high97.2Very high131 Ų13135.8 Ų35.857%0.5717%0.174SC*.THydrogen-bonded Turntrans55.526.9178.6-53.2176.3-179.7176.60113.7N209 L234 L260N209-K236 HydrophobicContact CB-CB 4.49Å; N209-K236 HydrophobicContact CB-CD 4.44Å; N209-K236 WeakPolarHBondContact OD1-CD 3.42Å; L234-K236 PolarHBondContact O-N 3.15Å; K236-L260 PolarHBondContact N-O 3.15Å
237S96.8Very high97.2Very high2 Ų238 Ų381%0.01418%0.183CC..  trans-73.9154.6164.3-62.80000111.2N210 L234 H235 L239 I262 P263N210-S237 WeakPolarHBondContact O-CA 3.33Å; L234-S237 WeakPolarHBondContact O-CB 3.49Å; L234-S237 PolarHBondContact O-N 2.77Å; L234-S237 VanDerWaalsContact O-N 3.11Å; L234-S237 PolarHBondContact O-OG 3.17Å; H235-S237 PolarHBondContact O-N 3.38Å; H235-S237 VanDerWaalsContact O-N 3.14Å; S237-L239 PolarHBondContact O-N 2.89Å; S237-L239 VanDerWaalsContact O-N 3.1Å; S237-I262 WeakPolarHBondContact O-CD1 3.46Å; S237-P263 WeakPolarHBondContact O-CD 3.38Å
238G96.1Very high97.2Very high3 Ų336 Ų363%0.03117%0.17CC..  trans-79.528.9-178.700000114.3L212 T213 H240L212-G238 CarbonylContact O-C 3.47Å; L212-G238 VanDerWaalsContact O-C 3.23Å; L212-G238 VanDerWaalsContact O-CA 3.27Å; L212-G238 WeakPolarHBondContact O-CA 3.22Å; L212-G238 PolarHBondContact O-N 2.79Å; T213-G238 WeakPolarHBondContact CA-O 3.2Å; G238-H240 PolarHBondContact O-CD2 3.3Å; G238-H240 PolarHBondContact O-N 3.11Å; G238-H240 PolarHBondContact O-NE2 3.27Å; G238-H240 VanDerWaalsContact O-NE2 3.12Å
239L96.4Very high97.1Very high0 Ų036.1 Ų36.10%017%0.171CC..  trans-68.9131.2-177.3-57.7176.8000111L212 I215 L234 S237 D244 I245 L259 I262 L264L212-L239 PolarHBondContact O-N 3.14Å; I215-L239 HydrophobicContact CG1-CD2 4.22Å; L234-L239 HydrophobicContact CD1-CD1 4.22Å; S237-L239 PolarHBondContact O-N 2.89Å; S237-L239 VanDerWaalsContact O-N 3.1Å; L239-D244 HydrophobicContact CD2-CB 4.21Å; L239-I245 HydrophobicContact CD1-CD1 3.95Å; L239-L259 HydrophobicContact CD1-CD2 4.4Å; L239-I262 HydrophobicContact CB-CD1 4.41Å; L239-I262 HydrophobicContact CB-CG2 3.82Å; L239-I262 HydrophobicContact CD1-CD1 4.3Å; L239-I262 HydrophobicContact CG-CD1 4.4Å; L239-I262 WeakPolarHBondContact O-CG2 3.19Å; L239-L264 WeakPolarHBondContact O-CB 3.49Å; L239-L264 PolarHBondContact O-N 3.04Å; L239-L264 VanDerWaalsContact O-N 3.1Å
240H95.5Very high97Very high121 Ų12137 Ų3756%0.5618%0.177SC*.  trans-120-7.9-172-69.4-70.5000115G238 P263G238-H240 PolarHBondContact O-CD2 3.3Å; G238-H240 PolarHBondContact O-N 3.11Å; G238-H240 PolarHBondContact O-NE2 3.27Å; G238-H240 VanDerWaalsContact O-NE2 3.12Å; H240-P263 WeakPolarHBondContact CE1-CB 3.46Å; H240-P263 WeakPolarHBondContact ND1-CB 3.3Å
241C95.3Very high97Very high43 Ų4332.5 Ų32.529%0.29116%0.16SC..SBendtrans-136.5157.8-178.472.40000112.9E243 D244 L264C241-E243 WeakPolarHBondContact CB-OE2 3.4Å; C241-E243 PolarHBondContact SG-OE2 3.1Å; C241-E243 VanDerWaalsContact SG-OE2 3.41Å; C241-D244 PolarHBondContact SG-OD2 2.83Å; C241-L264 WeakPolarHBondContact O-CD2 3.34Å
242W96.1Very high96.9Very high23 Ų2335.7 Ų35.79%0.08718%0.18CC..Hα-helixtrans-74.7-27-175.9-77.6113.1000112.8D244 I245 D246 L264 L265 Y268 L276 L277W242-D244 PolarHBondContact O-N 2.93Å; W242-I245 HydrophobicContact CE3-CB 4.12Å; W242-I245 HydrophobicContact CE3-CG1 3.99Å; W242-I245 HydrophobicContact CE3-CG2 4.37Å; W242-I245 HydrophobicContact CZ3-CG1 4.33Å; W242-I245 HydrophobicContact CZ3-CG2 4.43Å; W242-I245 WeakPolarHBondContact O-CA 3.35Å; W242-I245 WeakPolarHBondContact O-CB 3.41Å; W242-I245 PolarHBondContact O-N 3.1Å; W242-D246 PolarHBondContact O-N 2.86Å; W242-L264 HydrophobicContact CD2-CD1 4.38Å; W242-L264 HydrophobicContact CD2-CD2 3.72Å; W242-L264 HydrophobicContact CD2-CG 4.35Å; W242-L264 HydrophobicContact CE3-CD2 3.82Å; W242-L264 HydrophobicContact CG-CD1 4.3Å; W242-L264 HydrophobicContact CG-CD2 4.09Å; W242-L264 HydrophobicContact CZ2-CD2 4.47Å; W242-L264 HydrophobicContact CZ2-CG 4.48Å; W242-L264 HydrophobicContact CZ3-CD2 4.26Å; W242-L265 HydrophobicContact CH2-CD2 3.42Å; W242-L265 VanDerWaalsContact CH2-CD2 3.42Å; W242-L265 HydrophobicContact CZ2-CD2 4.01Å; W242-L265 HydrophobicContact CZ3-CD2 4.01Å; W242-Y268 AromaticContact CZ2-CE2 3.77Å; W242-Y268 HydrophobicContact CZ2-CE2 3.77Å; W242-Y268 AromaticContact CZ2-CZ 3.79Å; W242-Y268 PolarHBondContact NE1-OH 3.38Å; W242-Y268 VanDerWaalsContact NE1-OH 3.14Å; W242-L276 HydrophobicContact CH2-CB 3.84Å; W242-L276 HydrophobicContact CH2-CD1 4.39Å; W242-L276 HydrophobicContact CZ2-CB 4.26Å; W242-L276 HydrophobicContact CZ2-CD1 4.04Å; W242-L277 HydrophobicContact CH2-CD2 4.47Å; W242-L277 HydrophobicContact CZ3-CD2 3.88Å; W242-L277 HydrophobicContact CZ3-CG 4.41Å
243E94.8Very high96.9Very high119 Ų11939.9 Ų39.956%0.55620%0.199SC*.Hα-helixtrans-58.8-36.3178.5-64.772-159.500111.2C241 D246 K247C241-E243 WeakPolarHBondContact CB-OE2 3.4Å; C241-E243 PolarHBondContact SG-OE2 3.1Å; C241-E243 VanDerWaalsContact SG-OE2 3.41Å; E243-D246 PolarHBondContact O-N 3.15Å; E243-K247 WeakPolarHBondContact O-CG 3.43Å; E243-K247 PolarHBondContact O-N 3.14Å
244D95.8Very high96.9Very high2 Ų239.3 Ų39.31%0.01120%0.196CC..Hα-helixtrans-70-33.4175.9-72.9-33.2000112.6T214 I215 L239 C241 W242 K247T214-D244 WeakPolarHBondContact CA-OD2 3.29Å; T214-D244 WeakPolarHBondContact CB-OD2 3.45Å; T214-D244 PolarHBondContact OG1-OD1 3.05Å; T214-D244 VanDerWaalsContact OG1-OD1 3.07Å; T214-D244 PolarHBondContact OG1-OD2 3.43Å; I215-D244 HydrophobicContact CB-CB 4.37Å; I215-D244 HydrophobicContact CD1-CB 4.49Å; I215-D244 VanDerWaalsContact CD1-O 3.31Å; I215-D244 WeakPolarHBondContact CD1-O 3.45Å; I215-D244 HydrophobicContact CG1-CB 4.07Å; I215-D244 PolarHBondContact N-OD1 3.35Å; L239-D244 HydrophobicContact CD2-CB 4.21Å; C241-D244 PolarHBondContact SG-OD2 2.83Å; W242-D244 PolarHBondContact O-N 2.93Å; D244-K247 IonicContact OD1-NZ 3.4Å; D244-K247 PolarHBondContact OD1-NZ 3.37Å
245I97.2Very high96.9Very high0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-68.2-42.7171.7-55-56.3000110.1L239 W242 K247 L248 L259 L264 L277 L281L239-I245 HydrophobicContact CD1-CD1 3.95Å; W242-I245 HydrophobicContact CE3-CB 4.12Å; W242-I245 HydrophobicContact CE3-CG1 3.99Å; W242-I245 HydrophobicContact CE3-CG2 4.37Å; W242-I245 HydrophobicContact CZ3-CG1 4.33Å; W242-I245 HydrophobicContact CZ3-CG2 4.43Å; W242-I245 WeakPolarHBondContact O-CA 3.35Å; W242-I245 WeakPolarHBondContact O-CB 3.41Å; W242-I245 PolarHBondContact O-N 3.1Å; I245-K247 VanDerWaalsContact C-N 3.3Å; I245-K247 PolarHBondContact O-N 3.42Å; I245-L248 VanDerWaalsContact O-CB 3.24Å; I245-L248 WeakPolarHBondContact O-CB 3.44Å; I245-L248 VanDerWaalsContact O-CG 3.28Å; I245-L248 WeakPolarHBondContact O-CG 3.36Å; I245-L248 PolarHBondContact O-N 3.03Å; I245-L248 VanDerWaalsContact O-N 3.08Å; I245-L259 HydrophobicContact CD1-CD1 4.05Å; I245-L259 HydrophobicContact CD1-CD2 4.01Å; I245-L259 HydrophobicContact CG2-CD1 4.49Å; I245-L264 HydrophobicContact CG1-CD2 3.83Å; I245-L277 HydrophobicContact CG2-CD2 3.79Å; I245-L281 HydrophobicContact CG2-CD1 4.2Å; I245-L281 HydrophobicContact CG2-CD2 4.24Å; I245-L281 HydrophobicContact CG2-CG 4.29Å; I245-L281 WeakPolarHBondContact O-CD2 3.39Å
246D96.4Very high96.9Very high44 Ų4442.3 Ų42.324%0.23521%0.21CC..Hα-helixtrans-64.9-33.1-177.8-64.9-21.3000111.7W242 E243 L248 N249 R280W242-D246 PolarHBondContact O-N 2.86Å; E243-D246 PolarHBondContact O-N 3.15Å; D246-L248 PolarHBondContact O-N 3.27Å; D246-L248 VanDerWaalsContact O-N 3.16Å; D246-N249 VanDerWaalsContact O-CB 3.24Å; D246-N249 WeakPolarHBondContact O-CB 3.05Å; D246-N249 PolarHBondContact O-N 2.86Å; D246-N249 PolarHBondContact O-ND2 3.24Å; D246-R280 VanDerWaalsContact CG-NH1 3.25Å; D246-R280 IonicContact OD1-CZ 3.85Å; D246-R280 IonicContact OD1-NH1 2.88Å; D246-R280 PolarHBondContact OD1-NH1 3.18Å; D246-R280 IonicContact OD2-NH1 3.08Å; D246-R280 PolarHBondContact OD2-NH1 3.25Å
247K96.5Very high96.9Very high48 Ų4836 Ų3621%0.20918%0.183CC..G310 helixtrans-59.3-21.6172.7-74.8169.5-166.3160.40114I215 L222 E243 D244 I245 N249 S250I215-K247 HydrophobicContact CB-CD 3.89Å; I215-K247 HydrophobicContact CG2-CB 4.26Å; I215-K247 HydrophobicContact CG2-CD 3.91Å; I215-K247 VanDerWaalsContact O-CD 3.23Å; I215-K247 WeakPolarHBondContact O-CD 3.12Å; I215-K247 WeakPolarHBondContact O-CE 3.37Å; I215-K247 PolarHBondContact O-NZ 3.41Å; L222-K247 HydrophobicContact CD1-CB 4.11Å; E243-K247 WeakPolarHBondContact O-CG 3.43Å; E243-K247 PolarHBondContact O-N 3.14Å; D244-K247 IonicContact OD1-NZ 3.4Å; D244-K247 PolarHBondContact OD1-NZ 3.37Å; I245-K247 VanDerWaalsContact C-N 3.3Å; I245-K247 PolarHBondContact O-N 3.42Å; K247-N249 PolarHBondContact O-N 3.3Å; K247-S250 WeakPolarHBondContact O-CB 3.23Å; K247-S250 PolarHBondContact O-N 3.02Å; K247-S250 PolarHBondContact O-OG 3.18Å
248L97.6Very high97Very high0 Ų038.7 Ų38.70%019%0.194CC..G310 helixtrans-63.2-21.5174.1-56.9179.8000111.9I215 L234 I245 D246 S250 F251 L254 V257 L259 L281I215-L248 HydrophobicContact CD1-CD2 3.74Å; L234-L248 HydrophobicContact CD1-CD2 4.08Å; I245-L248 VanDerWaalsContact O-CB 3.24Å; I245-L248 WeakPolarHBondContact O-CB 3.44Å; I245-L248 VanDerWaalsContact O-CG 3.28Å; I245-L248 WeakPolarHBondContact O-CG 3.36Å; I245-L248 PolarHBondContact O-N 3.03Å; I245-L248 VanDerWaalsContact O-N 3.08Å; D246-L248 PolarHBondContact O-N 3.27Å; D246-L248 VanDerWaalsContact O-N 3.16Å; L248-S250 PolarHBondContact O-N 3.34Å; L248-F251 HydrophobicContact CB-CD2 4.4Å; L248-F251 HydrophobicContact CD2-CD2 4.31Å; L248-F251 HydrophobicContact CD2-CE2 3.73Å; L248-F251 VanDerWaalsContact O-CD2 3.29Å; L248-F251 WeakPolarHBondContact O-CD2 3.16Å; L248-F251 PolarHBondContact O-N 3.07Å; L248-L254 HydrophobicContact CB-CD2 4Å; L248-L254 WeakPolarHBondContact O-CD2 3.44Å; L248-V257 HydrophobicContact CD1-CG1 3.96Å; L248-V257 HydrophobicContact CD1-CG2 4.39Å; L248-L259 HydrophobicContact CD1-CD1 4.33Å; L248-L281 HydrophobicContact CB-CD2 3.95Å; L248-L281 HydrophobicContact CD1-CD1 4.48Å
249N97.1Very high97.1Very high57 Ų5738.6 Ų38.631%0.30519%0.193SC..G310 helixtrans-67.2-16174.5-66.4-46.7000113.3D246 K247 F251 R280 P282D246-N249 VanDerWaalsContact O-CB 3.24Å; D246-N249 WeakPolarHBondContact O-CB 3.05Å; D246-N249 PolarHBondContact O-N 2.86Å; D246-N249 PolarHBondContact O-ND2 3.24Å; K247-N249 PolarHBondContact O-N 3.3Å; N249-F251 PolarHBondContact O-N 3.21Å; N249-R280 PolarHBondContact ND2-O 3.18Å; N249-P282 WeakPolarHBondContact OD1-CD 3.49Å
250S96.9Very high97.2Very high17 Ų1743.1 Ų43.112%0.11922%0.216CC..G310 helixtrans-76.6-10.6177.8-48.50000113.4E219 A223 K247 L248 P252E219-S250 WeakPolarHBondContact CA-OG 3.32Å; E219-S250 VanDerWaalsContact CB-OG 3.22Å; E219-S250 WeakPolarHBondContact CB-OG 3.36Å; E219-S250 VanDerWaalsContact CG-OG 3.27Å; E219-S250 WeakPolarHBondContact CG-OG 3.19Å; A223-S250 WeakPolarHBondContact CB-O 3.32Å; K247-S250 WeakPolarHBondContact O-CB 3.23Å; K247-S250 PolarHBondContact O-N 3.02Å; K247-S250 PolarHBondContact O-OG 3.18Å; L248-S250 PolarHBondContact O-N 3.34Å; S250-P252 WeakPolarHBondContact O-CD 3.47Å
251F97.6Very high97.2Very high3 Ų339.7 Ų39.71%0.01321%0.214CC..SBendtrans-78.5115.2172.7-65.4-63.6000110.3W189 L222 F226 L229 I232 L248 N249 K253 L254W189-F251 HydrophobicContact CZ2-CZ 4.25Å; L222-F251 HydrophobicContact CB-CD1 4.41Å; L222-F251 HydrophobicContact CB-CE1 4.04Å; L222-F251 HydrophobicContact CB-CZ 4.42Å; L222-F251 HydrophobicContact CD1-CZ 4.44Å; L222-F251 HydrophobicContact CD2-CE1 4.03Å; L222-F251 HydrophobicContact CD2-CZ 3.85Å; L222-F251 HydrophobicContact CG-CZ 4.47Å; F226-F251 HydrophobicContact CB-CD1 3.77Å; F226-F251 HydrophobicContact CB-CE1 3.68Å; F226-F251 AromaticContact CD2-CE1 3.72Å; F226-F251 HydrophobicContact CD2-CE1 3.72Å; F226-F251 AromaticContact CG-CE1 3.97Å; F226-F251 HydrophobicContact CG-CE1 3.97Å; L229-F251 HydrophobicContact CD2-CD1 4.07Å; L229-F251 HydrophobicContact CD2-CE1 4.04Å; L229-F251 HydrophobicContact CD2-CG 4.39Å; L229-F251 HydrophobicContact CD2-CZ 4.32Å; I232-F251 HydrophobicContact CD1-CE2 4.45Å; L248-F251 HydrophobicContact CB-CD2 4.4Å; L248-F251 HydrophobicContact CD2-CD2 4.31Å; L248-F251 HydrophobicContact CD2-CE2 3.73Å; L248-F251 VanDerWaalsContact O-CD2 3.29Å; L248-F251 WeakPolarHBondContact O-CD2 3.16Å; L248-F251 PolarHBondContact O-N 3.07Å; N249-F251 PolarHBondContact O-N 3.21Å; F251-K253 VanDerWaalsContact C-N 3.26Å; F251-K253 PolarHBondContact O-N 2.86Å; F251-K253 VanDerWaalsContact O-N 3.12Å; F251-L254 HydrophobicContact CB-CB 3.65Å; F251-L254 HydrophobicContact CB-CD2 4.28Å; F251-L254 HydrophobicContact CB-CG 4.42Å; F251-L254 HydrophobicContact CD2-CD2 3.99Å; F251-L254 PolarHBondContact O-N 3.18Å
252P97.2Very high97.3Very high80 Ų8037.8 Ų37.852%0.51920%0.2SC..THydrogen-bonded Turntrans-69.4-18.6-164.426.3-36.3000115S250S250-P252 WeakPolarHBondContact O-CD 3.47Å
253K98.3Very high97.4Very high88 Ų8838.4 Ų38.438%0.38321%0.208SC..THydrogen-bonded Turntrans-124.113.2-177.4-59.1-172.2-169.3168.60113.1P227 N228 L229 R230 F251 E255P227-K253 WeakPolarHBondContact O-CE 3.45Å; N228-K253 PolarHBondContact OD1-NZ 3.4Å; L229-K253 CarbonylContact O-C 3.6Å; L229-K253 VanDerWaalsContact O-C 3.26Å; R230-K253 WeakPolarHBondContact CA-O 3.5Å; R230-K253 HydrophobicContact CG-CB 4.28Å; F251-K253 VanDerWaalsContact C-N 3.26Å; F251-K253 PolarHBondContact O-N 2.86Å; F251-K253 VanDerWaalsContact O-N 3.12Å; K253-E255 PolarHBondContact O-N 3.45Å
254L98.7Very high97.5Very high3 Ų333.8 Ų33.82%0.01619%0.187CC..  trans-68.1124.6-174-170.973.6000111.1L229 I232 L248 F251 V257 S283L229-L254 WeakPolarHBondContact O-CA 3.17Å; L229-L254 PolarHBondContact O-N 2.9Å; I232-L254 HydrophobicContact CB-CD1 4.25Å; I232-L254 HydrophobicContact CG2-CD1 3.89Å; I232-L254 HydrophobicContact CG2-CD2 4.45Å; L248-L254 HydrophobicContact CB-CD2 4Å; L248-L254 WeakPolarHBondContact O-CD2 3.44Å; F251-L254 HydrophobicContact CB-CB 3.65Å; F251-L254 HydrophobicContact CB-CD2 4.28Å; F251-L254 HydrophobicContact CB-CG 4.42Å; F251-L254 HydrophobicContact CD2-CD2 3.99Å; F251-L254 PolarHBondContact O-N 3.18Å; L254-V257 HydrophobicContact CD1-CG2 4.3Å; L254-V257 HydrophobicContact CD2-CG2 3.48Å; L254-V257 VanDerWaalsContact CD2-CG2 3.48Å; L254-V257 HydrophobicContact CG-CG2 3.93Å; L254-S283 PolarHBondContact O-OG 3.03Å
255E98.3Very high97.5Very high72 Ų7234 Ų3434%0.33619%0.188SC..  trans-124.9-29.6-173.2-80.8174.2-173.700111.9R230 K253 I284 V285 K286R230-E255 IonicContact CZ-OE1 3.01Å; R230-E255 IonicContact CZ-OE2 2.91Å; R230-E255 IonicContact NH1-OE1 2.63Å; R230-E255 PolarHBondContact NH1-OE1 3.09Å; R230-E255 IonicContact NH1-OE2 2.73Å; R230-E255 PolarHBondContact NH1-OE2 3.33Å; R230-E255 IonicContact NH2-OE1 3.23Å; R230-E255 PolarHBondContact O-N 2.84Å; K253-E255 PolarHBondContact O-N 3.45Å; E255-I284 CarbonylContact O-C 3.5Å; E255-I284 WeakPolarHBondContact O-CA 3.39Å; E255-V285 HydrophobicContact CB-CG2 3.9Å; E255-V285 HydrophobicContact CG-CG2 4.28Å; E255-V285 WeakPolarHBondContact O-CG2 3.36Å; E255-V285 PolarHBondContact O-N 3.2Å; E255-K286 PolarHBondContact O-N 3Å
256E98.8Very high97.4Very high32 Ų3240.2 Ų40.215%0.1522%0.217CC..EExtended strand (participates in β ladder)trans-127.4129.3179.8-177.2166.6177.500111.9R230 S231 I232 K258 K286R230-E256 PolarHBondContact O-N 3.37Å; S231-E256 WeakPolarHBondContact CA-O 3.42Å; I232-E256 PolarHBondContact N-O 3.49Å; E256-K258 WeakPolarHBondContact OE1-CE 3.43Å; E256-K258 IonicContact OE1-NZ 2.78Å; E256-K258 PolarHBondContact OE1-NZ 2.67Å; E256-K286 WeakPolarHBondContact CA-O 3.46Å; E256-K286 HydrophobicContact CB-CB 4.04Å; E256-K286 HydrophobicContact CG-CB 3.82Å; E256-K286 WeakPolarHBondContact OE2-CD 3.2Å
257V98.8Very high97.3Very high0 Ų042.9 Ų42.90%024%0.239CC..EExtended strand (participates in β ladder)trans-127.6136.5175.8174.30000110I232 L248 L254 L259 L281 I284 K286 L287 N288I232-V257 HydrophobicContact CG2-CG2 4.06Å; L248-V257 HydrophobicContact CD1-CG1 3.96Å; L248-V257 HydrophobicContact CD1-CG2 4.39Å; L254-V257 HydrophobicContact CD1-CG2 4.3Å; L254-V257 HydrophobicContact CD2-CG2 3.48Å; L254-V257 VanDerWaalsContact CD2-CG2 3.48Å; L254-V257 HydrophobicContact CG-CG2 3.93Å; V257-L259 HydrophobicContact CG1-CD1 3.33Å; V257-L259 HydrophobicContact CG1-CD2 4.35Å; V257-L259 HydrophobicContact CG1-CG 3.48Å; V257-L259 VanDerWaalsContact CG1-CG 3.48Å; V257-L281 HydrophobicContact CB-CD1 4.4Å; V257-L281 HydrophobicContact CG1-CD1 4.24Å; V257-L281 HydrophobicContact CG2-CD1 4.35Å; V257-I284 HydrophobicContact CB-CG2 4.42Å; V257-I284 HydrophobicContact CG2-CG2 3.73Å; V257-K286 PolarHBondContact N-O 3.38Å; V257-K286 VanDerWaalsContact N-O 3.16Å; V257-L287 WeakPolarHBondContact O-CA 3.07Å; V257-N288 PolarHBondContact O-N 3.16Å
258K98.7Very high97.3Very high58 Ų5842.2 Ų42.225%0.25224%0.235SC..EExtended strand (participates in β ladder)trans-122.2115.1176.9-72.3-175.5-169.3176.60109.3I232 N233 L234 H235 E256 N288I232-K258 PolarHBondContact O-N 3.02Å; N233-K258 HydrophobicContact CB-CB 3.87Å; N233-K258 HydrophobicContact CB-CD 4.1Å; N233-K258 HydrophobicContact CB-CG 4.49Å; N233-K258 WeakPolarHBondContact OD1-CB 3.29Å; L234-K258 CarbonylContact C-O 3.53Å; L234-K258 PolarHBondContact N-O 2.94Å; H235-K258 PolarHBondContact CD2-O 2.96Å; H235-K258 PolarHBondContact N-O 3.27Å; H235-K258 WeakPolarHBondContact NE2-CB 3.49Å; E256-K258 WeakPolarHBondContact OE1-CE 3.43Å; E256-K258 IonicContact OE1-NZ 2.78Å; E256-K258 PolarHBondContact OE1-NZ 2.67Å; K258-N288 WeakPolarHBondContact CA-OD1 3.28Å
259L98Very high97.2Very high1 Ų145.9 Ų45.91%0.00526%0.258CS..  trans-136.330.1-171.1-69.6166.1000113.7L234 H235 L239 I245 L248 V257 I262 L265 L277 L281 N288L234-L259 HydrophobicContact CB-CD2 3.91Å; L234-L259 HydrophobicContact CD1-CD2 4.24Å; H235-L259 PolarHBondContact CD2-N 2.94Å; H235-L259 VanDerWaalsContact CD2-N 3.3Å; L239-L259 HydrophobicContact CD1-CD2 4.4Å; I245-L259 HydrophobicContact CD1-CD1 4.05Å; I245-L259 HydrophobicContact CD1-CD2 4.01Å; I245-L259 HydrophobicContact CG2-CD1 4.49Å; L248-L259 HydrophobicContact CD1-CD1 4.33Å; V257-L259 HydrophobicContact CG1-CD1 3.33Å; V257-L259 HydrophobicContact CG1-CD2 4.35Å; V257-L259 HydrophobicContact CG1-CG 3.48Å; V257-L259 VanDerWaalsContact CG1-CG 3.48Å; L259-I262 HydrophobicContact CB-CG1 3.99Å; L259-I262 HydrophobicContact CD2-CD1 4.05Å; L259-I262 HydrophobicContact CD2-CG1 3.9Å; L259-I262 VanDerWaalsContact O-CG1 3.3Å; L259-I262 WeakPolarHBondContact O-CG1 3.32Å; L259-L265 HydrophobicContact CB-CD1 4.41Å; L259-L265 WeakPolarHBondContact O-CD1 3.46Å; L259-L277 HydrophobicContact CB-CD1 4.5Å; L259-L277 HydrophobicContact CD1-CD1 4.4Å; L259-L277 HydrophobicContact CD1-CD2 3.64Å; L259-L281 HydrophobicContact CD1-CD1 4.46Å; L259-N288 PolarHBondContact N-OD1 3.15Å
260L97Very high97.1Very high95 Ų9548.9 Ų48.950%0.49728%0.278SS..THydrogen-bonded Turntrans-68.9140.9171.3-63-179.6000110.9H235 K236 N288H235-L260 CarbonylContact C-O 3.54Å; H235-L260 VanDerWaalsContact CA-O 3.22Å; H235-L260 WeakPolarHBondContact CA-O 3.39Å; H235-L260 PolarHBondContact CD2-N 2.89Å; H235-L260 WeakPolarHBondContact NE2-CG 3.41Å; H235-L260 PolarHBondContact NE2-N 3.34Å; K236-L260 PolarHBondContact N-O 3.15Å; L260-N288 HydrophobicContact CD2-CB 4.24Å; L260-N288 HydrophobicContact CG-CB 4.22Å; L260-N288 PolarHBondContact N-OD1 3.45Å
261G96.6Very high97Very high49 Ų4954 Ų5451%0.50530%0.3SS..THydrogen-bonded Turntrans79.212.8175.100000115.3
262I97.8Very high97Very high2 Ų256.6 Ų56.61%0.0131%0.313CS..  trans-72.8129.6174.3-60.8-62.2000110.5L234 S237 L239 L259 L264 L265L234-I262 WeakPolarHBondContact O-CD1 3.41Å; S237-I262 WeakPolarHBondContact O-CD1 3.46Å; L239-I262 HydrophobicContact CB-CD1 4.41Å; L239-I262 HydrophobicContact CB-CG2 3.82Å; L239-I262 HydrophobicContact CD1-CD1 4.3Å; L239-I262 HydrophobicContact CG-CD1 4.4Å; L239-I262 WeakPolarHBondContact O-CG2 3.19Å; L259-I262 HydrophobicContact CB-CG1 3.99Å; L259-I262 HydrophobicContact CD2-CD1 4.05Å; L259-I262 HydrophobicContact CD2-CG1 3.9Å; L259-I262 VanDerWaalsContact O-CG1 3.3Å; L259-I262 WeakPolarHBondContact O-CG1 3.32Å; I262-L264 HydrophobicContact CG2-CB 3.88Å; I262-L264 PolarHBondContact O-N 3.37Å; I262-L265 HydrophobicContact CB-CD1 3.99Å; I262-L265 HydrophobicContact CB-CG 4.09Å; I262-L265 HydrophobicContact CG1-CD1 4.39Å; I262-L265 HydrophobicContact CG2-CG 4.28Å; I262-L265 PolarHBondContact O-N 2.8Å; I262-L265 VanDerWaalsContact O-N 3.1Å
263P97.3Very high97Very high37 Ų3756.9 Ų56.924%0.2430%0.303CS..G310 helixtrans-53.3-44.9177.7-30.636.8000115S237 H240 L265 Q266S237-P263 WeakPolarHBondContact O-CD 3.38Å; H240-P263 WeakPolarHBondContact CE1-CB 3.46Å; H240-P263 WeakPolarHBondContact ND1-CB 3.3Å; P263-L265 PolarHBondContact O-N 2.79Å; P263-Q266 WeakPolarHBondContact O-CB 3.35Å; P263-Q266 WeakPolarHBondContact O-CG 3.33Å; P263-Q266 PolarHBondContact O-N 3.39Å
264L96.6Very high97Very high22 Ų2255.3 Ų55.312%0.11530%0.295CS..G310 helixtrans-47.7-37.5175.5171.466.1000112.9L239 C241 W242 I245 I262 Y268L239-L264 WeakPolarHBondContact O-CB 3.49Å; L239-L264 PolarHBondContact O-N 3.04Å; L239-L264 VanDerWaalsContact O-N 3.1Å; C241-L264 WeakPolarHBondContact O-CD2 3.34Å; W242-L264 HydrophobicContact CD2-CD1 4.38Å; W242-L264 HydrophobicContact CD2-CD2 3.72Å; W242-L264 HydrophobicContact CD2-CG 4.35Å; W242-L264 HydrophobicContact CE3-CD2 3.82Å; W242-L264 HydrophobicContact CG-CD1 4.3Å; W242-L264 HydrophobicContact CG-CD2 4.09Å; W242-L264 HydrophobicContact CZ2-CD2 4.47Å; W242-L264 HydrophobicContact CZ2-CG 4.48Å; W242-L264 HydrophobicContact CZ3-CD2 4.26Å; I245-L264 HydrophobicContact CG1-CD2 3.83Å; I262-L264 HydrophobicContact CG2-CB 3.88Å; I262-L264 PolarHBondContact O-N 3.37Å; L264-Y268 WeakPolarHBondContact O-CE2 3.11Å
265L96.6Very high97Very high7 Ų757.3 Ų57.34%0.03730%0.303CS..G310 helixtrans-85.8-9-171.5-59.6179.7000112.9W242 L259 I262 P263 S267 Y268 R273 L277W242-L265 HydrophobicContact CH2-CD2 3.42Å; W242-L265 VanDerWaalsContact CH2-CD2 3.42Å; W242-L265 HydrophobicContact CZ2-CD2 4.01Å; W242-L265 HydrophobicContact CZ3-CD2 4.01Å; L259-L265 HydrophobicContact CB-CD1 4.41Å; L259-L265 WeakPolarHBondContact O-CD1 3.46Å; I262-L265 HydrophobicContact CB-CD1 3.99Å; I262-L265 HydrophobicContact CB-CG 4.09Å; I262-L265 HydrophobicContact CG1-CD1 4.39Å; I262-L265 HydrophobicContact CG2-CG 4.28Å; I262-L265 PolarHBondContact O-N 2.8Å; I262-L265 VanDerWaalsContact O-N 3.1Å; P263-L265 PolarHBondContact O-N 2.79Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 2.88Å; L265-Y268 PolarHBondContact O-N 3.44Å; L265-R273 HydrophobicContact CB-CG 4.08Å; L265-R273 WeakPolarHBondContact O-CD 3.38Å; L265-R273 PolarHBondContact O-NE 3.01Å; L265-R273 PolarHBondContact O-NH2 3.43Å; L265-L277 HydrophobicContact CD1-CD1 3.79Å; L265-L277 HydrophobicContact CD2-CD1 4.49Å; L265-L277 HydrophobicContact CD2-CD2 4.43Å; L265-L277 HydrophobicContact CD2-CG 4.41Å
266Q95.3Very high97Very high129 Ų12953.9 Ų53.960%0.60329%0.287SS*.THydrogen-bonded Turntrans-66.1-28.9-169.1-69-177.96.400114.2P263 Y268 R273P263-Q266 WeakPolarHBondContact O-CB 3.35Å; P263-Q266 WeakPolarHBondContact O-CG 3.33Å; P263-Q266 PolarHBondContact O-N 3.39Å; Q266-Y268 VanDerWaalsContact C-N 3.32Å; Q266-Y268 PolarHBondContact O-N 2.93Å; Q266-R273 PolarHBondContact O-NH2 2.83Å
267S94.3Very high97Very high101 Ų10152.4 Ų52.471%0.70628%0.281SS*.THydrogen-bonded Turntrans-73.8-20.6179.751.10000114L265L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 2.88Å
268Y95.6Very high97Very high34 Ų3452.4 Ų52.413%0.13328%0.281CS..SBendtrans-89.1155.4-175-61.5-84.5000111.9W242 L264 L265 Q266 E272 R273 L276 Y307W242-Y268 AromaticContact CZ2-CE2 3.77Å; W242-Y268 HydrophobicContact CZ2-CE2 3.77Å; W242-Y268 AromaticContact CZ2-CZ 3.79Å; W242-Y268 PolarHBondContact NE1-OH 3.38Å; W242-Y268 VanDerWaalsContact NE1-OH 3.14Å; L264-Y268 WeakPolarHBondContact O-CE2 3.11Å; L265-Y268 PolarHBondContact O-N 3.44Å; Q266-Y268 VanDerWaalsContact C-N 3.32Å; Q266-Y268 PolarHBondContact O-N 2.93Å; Y268-E272 HydrophobicContact CD1-CB 4.24Å; Y268-R273 VanDerWaalsContact CB-CG 3.5Å; Y268-R273 HydrophobicContact CG-CG 4.46Å; Y268-R273 PolarHBondContact O-NE 3.28Å; Y268-R273 PolarHBondContact O-NH2 3.44Å; Y268-L276 HydrophobicContact CD1-CD1 3.44Å; Y268-L276 VanDerWaalsContact CD1-CD1 3.44Å; Y268-L276 HydrophobicContact CE1-CD1 3.29Å; Y268-L276 HydrophobicContact CG-CD1 4.21Å; Y268-Y307 HydrophobicContact CE1-CE2 4.34Å; Y268-Y307 AromaticContact CE1-CZ 3.96Å; Y268-Y307 WeakPolarHBondContact CE1-OH 3.4Å
269T96.4Very high97Very high77 Ų7749.7 Ų49.747%0.47227%0.269SS..  trans-69.5162.2166.363.80000111.5E271 E272 R273T269-E271 PolarHBondContact O-N 3.13Å; T269-E272 WeakPolarHBondContact CB-OE2 3.25Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.4Å; T269-E272 PolarHBondContact N-OE2 3.01Å; T269-E272 PolarHBondContact O-N 3.15Å; T269-E272 WeakPolarHBondContact OG1-CB 3.45Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 WeakPolarHBondContact OG1-CG 3.2Å; T269-E272 PolarHBondContact OG1-N 2.87Å; T269-E272 PolarHBondContact OG1-OE2 2.66Å; T269-R273 VanDerWaalsContact O-CG 3.22Å; T269-R273 WeakPolarHBondContact O-CG 3.25Å; T269-R273 PolarHBondContact O-N 2.93Å
270T94.3Very high97Very high119 Ų11950 Ų5073%0.7327%0.27SS*.Hα-helixtrans-56.3-38.6177.8-58.20000112.7R274T270-R274 PolarHBondContact O-N 2.86Å
271E95.5Very high97Very high124 Ų12445.4 Ų45.458%0.57925%0.246SC*.Hα-helixtrans-68.2-49.3178.7-172-177.8168.900111.3T269 R273 R274 K275T269-E271 PolarHBondContact O-N 3.13Å; E271-R273 PolarHBondContact O-N 2.91Å; E271-R274 PolarHBondContact O-N 3.29Å; E271-K275 HydrophobicContact CG-CD 4.23Å; E271-K275 WeakPolarHBondContact O-CG 3.49Å; E271-K275 PolarHBondContact O-N 3.21Å; E271-K275 WeakPolarHBondContact OE1-CE 3.23Å; E271-K275 IonicContact OE1-NZ 3.76Å; E271-K275 PolarHBondContact OE1-NZ 3.02Å
272E96.7Very high97Very high59 Ų5945.7 Ų45.728%0.27624%0.239SC..Hα-helixtrans-60.1-46.9177.8-71166.8142.700111.8Y268 T269 R274 K275 L276 F303Y268-E272 HydrophobicContact CD1-CB 4.24Å; T269-E272 WeakPolarHBondContact CB-OE2 3.25Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.4Å; T269-E272 PolarHBondContact N-OE2 3.01Å; T269-E272 PolarHBondContact O-N 3.15Å; T269-E272 WeakPolarHBondContact OG1-CB 3.45Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 WeakPolarHBondContact OG1-CG 3.2Å; T269-E272 PolarHBondContact OG1-N 2.87Å; T269-E272 PolarHBondContact OG1-OE2 2.66Å; E272-R274 VanDerWaalsContact C-N 3.25Å; E272-R274 PolarHBondContact O-N 2.64Å; E272-K275 PolarHBondContact O-N 3Å; E272-L276 HydrophobicContact CB-CD1 4.49Å; E272-L276 VanDerWaalsContact O-CB 3.3Å; E272-L276 WeakPolarHBondContact O-CB 3.46Å; E272-L276 WeakPolarHBondContact O-CG 3.45Å; E272-L276 PolarHBondContact O-N 3Å; E272-F303 HydrophobicContact CG-CE1 4.5Å; E272-F303 HydrophobicContact CG-CZ 3.87Å
273R97.7Very high97Very high85 Ų8548.2 Ų48.232%0.32126%0.257SS..Hα-helixtrans-51.3-49.5177-70.4172.1-158.8-167.1-4.5110.8L265 Q266 Y268 T269 E271 L277L265-R273 HydrophobicContact CB-CG 4.08Å; L265-R273 WeakPolarHBondContact O-CD 3.38Å; L265-R273 PolarHBondContact O-NE 3.01Å; L265-R273 PolarHBondContact O-NH2 3.43Å; Q266-R273 PolarHBondContact O-NH2 2.83Å; Y268-R273 VanDerWaalsContact CB-CG 3.5Å; Y268-R273 HydrophobicContact CG-CG 4.46Å; Y268-R273 PolarHBondContact O-NE 3.28Å; Y268-R273 PolarHBondContact O-NH2 3.44Å; T269-R273 VanDerWaalsContact O-CG 3.22Å; T269-R273 WeakPolarHBondContact O-CG 3.25Å; T269-R273 PolarHBondContact O-N 2.93Å; E271-R273 PolarHBondContact O-N 2.91Å; R273-L277 WeakPolarHBondContact O-CB 3.44Å; R273-L277 WeakPolarHBondContact O-CD1 3.22Å; R273-L277 WeakPolarHBondContact O-CG 3.47Å; R273-L277 PolarHBondContact O-N 2.77Å; R273-L277 VanDerWaalsContact O-N 3.09Å
274R98.1Very high97Very high55 Ų5546.6 Ų46.621%0.20825%0.246CC..Hα-helixtrans-66.9-47.8-177-177.6162.8176.684.88.8111.2T270 E271 E272 L277 I278 L287 I291 E296T270-R274 PolarHBondContact O-N 2.86Å; E271-R274 PolarHBondContact O-N 3.29Å; E272-R274 VanDerWaalsContact C-N 3.25Å; E272-R274 PolarHBondContact O-N 2.64Å; R274-L277 PolarHBondContact O-N 2.92Å; R274-I278 HydrophobicContact CG-CD1 3.63Å; R274-I278 HydrophobicContact CG-CG1 4.41Å; R274-I278 WeakPolarHBondContact O-CB 3.15Å; R274-I278 VanDerWaalsContact O-CG1 3.24Å; R274-I278 WeakPolarHBondContact O-CG1 3.42Å; R274-I278 PolarHBondContact O-N 3.45Å; R274-L287 HydrophobicContact CG-CD2 4.2Å; R274-L287 PolarHBondContact NH1-O 3.38Å; R274-I291 PolarHBondContact NH2-O 3.12Å; R274-E296 IonicContact CZ-OE1 2.68Å; R274-E296 VanDerWaalsContact CZ-OE1 3.23Å; R274-E296 IonicContact CZ-OE2 2.83Å; R274-E296 IonicContact NE-OE1 2.78Å; R274-E296 PolarHBondContact NE-OE1 3.18Å; R274-E296 IonicContact NE-OE2 2.6Å; R274-E296 VanDerWaalsContact NH2-CD 3.32Å; R274-E296 IonicContact NH2-OE1 3.94Å; R274-E296 PolarHBondContact NH2-OE1 2.84Å; R274-E296 IonicContact NH2-OE2 3.84Å; R274-E296 PolarHBondContact NH2-OE2 3.26Å
275K98.5Very high97.1Very high45 Ų4549 Ų4920%0.19626%0.262CS..Hα-helixtrans-63.5-44.5179.8-69.8-175.5-177.41760112.6E271 E272 I278 A279 F303E271-K275 HydrophobicContact CG-CD 4.23Å; E271-K275 WeakPolarHBondContact O-CG 3.49Å; E271-K275 PolarHBondContact O-N 3.21Å; E271-K275 WeakPolarHBondContact OE1-CE 3.23Å; E271-K275 IonicContact OE1-NZ 3.76Å; E271-K275 PolarHBondContact OE1-NZ 3.02Å; E272-K275 PolarHBondContact O-N 3Å; K275-I278 PolarHBondContact O-N 3.3Å; K275-A279 WeakPolarHBondContact O-CB 3.21Å; K275-A279 PolarHBondContact O-N 3.14Å; K275-F303 HydrophobicContact CB-CD1 3.63Å; K275-F303 HydrophobicContact CB-CE1 4.17Å; K275-F303 HydrophobicContact CB-CG 4.16Å; K275-F303 HydrophobicContact CD-CB 3.8Å; K275-F303 HydrophobicContact CD-CD1 3.86Å; K275-F303 HydrophobicContact CD-CD2 3.89Å; K275-F303 HydrophobicContact CD-CE1 4.49Å; K275-F303 HydrophobicContact CD-CG 3.55Å; K275-F303 HydrophobicContact CG-CD1 4.41Å; K275-F303 HydrophobicContact CG-CG 4.49Å
276L98.4Very high97.2Very high0 Ų052.7 Ų52.70%028%0.277CS..Hα-helixtrans-62.2-44.7178.4-69172.4000111.4W242 Y268 E272 A279 R280 F303 F304 Y307 Y308W242-L276 HydrophobicContact CH2-CB 3.84Å; W242-L276 HydrophobicContact CH2-CD1 4.39Å; W242-L276 HydrophobicContact CZ2-CB 4.26Å; W242-L276 HydrophobicContact CZ2-CD1 4.04Å; Y268-L276 HydrophobicContact CD1-CD1 3.44Å; Y268-L276 VanDerWaalsContact CD1-CD1 3.44Å; Y268-L276 HydrophobicContact CE1-CD1 3.29Å; Y268-L276 HydrophobicContact CG-CD1 4.21Å; E272-L276 HydrophobicContact CB-CD1 4.49Å; E272-L276 VanDerWaalsContact O-CB 3.3Å; E272-L276 WeakPolarHBondContact O-CB 3.46Å; E272-L276 WeakPolarHBondContact O-CG 3.45Å; E272-L276 PolarHBondContact O-N 3Å; L276-A279 PolarHBondContact O-N 2.88Å; L276-R280 WeakPolarHBondContact O-CB 3.39Å; L276-R280 VanDerWaalsContact O-CG 3.3Å; L276-R280 WeakPolarHBondContact O-CG 3.48Å; L276-R280 PolarHBondContact O-N 3.17Å; L276-R280 VanDerWaalsContact O-N 3.08Å; L276-F303 HydrophobicContact CD2-CE1 4.14Å; L276-F303 HydrophobicContact CG-CE1 4.26Å; L276-F304 HydrophobicContact CD2-CD2 3.8Å; L276-F304 HydrophobicContact CD2-CE2 4.19Å; L276-Y307 HydrophobicContact CD1-CE2 4.41Å; L276-Y307 HydrophobicContact CD2-CD1 3.89Å; L276-Y307 HydrophobicContact CD2-CD2 4.26Å; L276-Y307 HydrophobicContact CD2-CE1 4.26Å; L276-Y307 HydrophobicContact CD2-CG 3.92Å; L276-Y308 HydrophobicContact CD2-CE2 4.42Å
277L98.6Very high97.4Very high2 Ų246.6 Ų46.61%0.0125%0.249CC..Hα-helixtrans-63.9-46.4176.4-74.2170.3000112.5W242 I245 L259 L265 R273 R274 A279 R280 L281 L287W242-L277 HydrophobicContact CH2-CD2 4.47Å; W242-L277 HydrophobicContact CZ3-CD2 3.88Å; W242-L277 HydrophobicContact CZ3-CG 4.41Å; I245-L277 HydrophobicContact CG2-CD2 3.79Å; L259-L277 HydrophobicContact CB-CD1 4.5Å; L259-L277 HydrophobicContact CD1-CD1 4.4Å; L259-L277 HydrophobicContact CD1-CD2 3.64Å; L265-L277 HydrophobicContact CD1-CD1 3.79Å; L265-L277 HydrophobicContact CD2-CD1 4.49Å; L265-L277 HydrophobicContact CD2-CD2 4.43Å; L265-L277 HydrophobicContact CD2-CG 4.41Å; R273-L277 WeakPolarHBondContact O-CB 3.44Å; R273-L277 WeakPolarHBondContact O-CD1 3.22Å; R273-L277 WeakPolarHBondContact O-CG 3.47Å; R273-L277 PolarHBondContact O-N 2.77Å; R273-L277 VanDerWaalsContact O-N 3.09Å; R274-L277 PolarHBondContact O-N 2.92Å; L277-A279 VanDerWaalsContact C-N 3.32Å; L277-A279 PolarHBondContact O-N 2.89Å; L277-R280 PolarHBondContact O-N 3.06Å; L277-L281 WeakPolarHBondContact O-CB 3.45Å; L277-L281 WeakPolarHBondContact O-CG 3.21Å; L277-L281 PolarHBondContact O-N 3.27Å; L277-L287 HydrophobicContact CB-CD1 4.49Å; L277-L287 HydrophobicContact CB-CD2 3.7Å; L277-L287 HydrophobicContact CD1-CD1 4.23Å; L277-L287 HydrophobicContact CD1-CD2 4.1Å
278I98.8Very high97.5Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-60.3-44179.2-72.5169.3000110.7R274 K275 L281 L287 V292 E296 R297R274-I278 HydrophobicContact CG-CD1 3.63Å; R274-I278 HydrophobicContact CG-CG1 4.41Å; R274-I278 WeakPolarHBondContact O-CB 3.15Å; R274-I278 VanDerWaalsContact O-CG1 3.24Å; R274-I278 WeakPolarHBondContact O-CG1 3.42Å; R274-I278 PolarHBondContact O-N 3.45Å; K275-I278 PolarHBondContact O-N 3.3Å; I278-L281 CarbonylContact O-C 3.57Å; I278-L281 PolarHBondContact O-N 3.03Å; I278-L287 HydrophobicContact CD1-CD2 4.46Å; I278-L287 HydrophobicContact CG1-CD2 3.84Å; I278-V292 HydrophobicContact CD1-CG1 4.05Å; I278-V292 HydrophobicContact CD1-CG2 4.09Å; I278-V292 HydrophobicContact CG1-CG1 4.15Å; I278-V292 HydrophobicContact CG1-CG2 4Å; I278-V292 HydrophobicContact CG2-CG1 3.76Å; I278-E296 HydrophobicContact CD1-CG 3.88Å; I278-E296 WeakPolarHBondContact CD1-OE1 3.47Å; I278-R297 HydrophobicContact CG2-CB 4.28Å; I278-R297 HydrophobicContact CG2-CG 4.36Å; I278-R297 PolarHBondContact O-NH1 2.72Å
279A98.4Very high97.5Very high0 Ų044.4 Ų44.40%024%0.243CC..Hα-helixtrans-67-36.1-179.900000113.1K275 L276 L277 E301 F304 R319 L323K275-A279 WeakPolarHBondContact O-CB 3.21Å; K275-A279 PolarHBondContact O-N 3.14Å; L276-A279 PolarHBondContact O-N 2.88Å; L277-A279 VanDerWaalsContact C-N 3.32Å; L277-A279 PolarHBondContact O-N 2.89Å; A279-E301 HydrophobicContact CB-CG 4.33Å; A279-F304 HydrophobicContact CB-CB 3.45Å; A279-F304 VanDerWaalsContact CB-CB 3.45Å; A279-F304 HydrophobicContact CB-CD2 3.51Å; A279-F304 HydrophobicContact CB-CE2 4.34Å; A279-F304 HydrophobicContact CB-CG 3.62Å; A279-R319 PolarHBondContact O-NE 3.13Å; A279-L323 HydrophobicContact CB-CD1 4.41Å
280R97.9Very high97.6Very high7 Ų743.9 Ų43.93%0.02624%0.242CC..Hα-helixtrans-76.1-27.1178.1-74.5177170.2-79.43.5114.4D246 N249 L276 L277 P282 F304 Y308D246-R280 VanDerWaalsContact CG-NH1 3.25Å; D246-R280 IonicContact OD1-CZ 3.85Å; D246-R280 IonicContact OD1-NH1 2.88Å; D246-R280 PolarHBondContact OD1-NH1 3.18Å; D246-R280 IonicContact OD2-NH1 3.08Å; D246-R280 PolarHBondContact OD2-NH1 3.25Å; N249-R280 PolarHBondContact ND2-O 3.18Å; L276-R280 WeakPolarHBondContact O-CB 3.39Å; L276-R280 VanDerWaalsContact O-CG 3.3Å; L276-R280 WeakPolarHBondContact O-CG 3.48Å; L276-R280 PolarHBondContact O-N 3.17Å; L276-R280 VanDerWaalsContact O-N 3.08Å; L277-R280 PolarHBondContact O-N 3.06Å; R280-P282 VanDerWaalsContact C-CD 3.42Å; R280-P282 WeakPolarHBondContact O-CD 3.47Å; R280-F304 HydrophobicContact CG-CD2 4.45Å; R280-F304 HydrophobicContact CG-CE2 3.49Å; R280-F304 VanDerWaalsContact CG-CE2 3.49Å; R280-F304 HydrophobicContact CG-CZ 3.87Å; R280-Y308 PolarHBondContact NH2-OH 3.3Å
281L98.3Very high97.8Very high0 Ų044.1 Ų44.10%024%0.238CC..  trans-110.380.4-178.5-60.5174.9000109.7I245 L248 V257 L259 L277 I278 S283 I284 R297I245-L281 HydrophobicContact CG2-CD1 4.2Å; I245-L281 HydrophobicContact CG2-CD2 4.24Å; I245-L281 HydrophobicContact CG2-CG 4.29Å; I245-L281 WeakPolarHBondContact O-CD2 3.39Å; L248-L281 HydrophobicContact CB-CD2 3.95Å; L248-L281 HydrophobicContact CD1-CD1 4.48Å; V257-L281 HydrophobicContact CB-CD1 4.4Å; V257-L281 HydrophobicContact CG1-CD1 4.24Å; V257-L281 HydrophobicContact CG2-CD1 4.35Å; L259-L281 HydrophobicContact CD1-CD1 4.46Å; L277-L281 WeakPolarHBondContact O-CB 3.45Å; L277-L281 WeakPolarHBondContact O-CG 3.21Å; L277-L281 PolarHBondContact O-N 3.27Å; I278-L281 CarbonylContact O-C 3.57Å; I278-L281 PolarHBondContact O-N 3.03Å; L281-S283 VanDerWaalsContact C-N 3.3Å; L281-S283 PolarHBondContact O-N 2.88Å; L281-I284 HydrophobicContact CB-CD1 3.77Å; L281-I284 HydrophobicContact CB-CG1 3.9Å; L281-I284 HydrophobicContact CB-CG2 3.98Å; L281-I284 HydrophobicContact CD1-CD1 3.92Å; L281-I284 WeakPolarHBondContact O-CG1 3.4Å; L281-R297 PolarHBondContact O-NH1 3.17Å; L281-R297 VanDerWaalsContact O-NH1 3.15Å; L281-R297 PolarHBondContact O-NH2 3.5Å
282P96.9Very high97.9Very high54 Ų5438.8 Ų38.835%0.35121%0.214SC..THydrogen-bonded Turntrans-61.5-31.4-176.119.5-32.7000115N249 R280N249-P282 WeakPolarHBondContact OD1-CD 3.49Å; R280-P282 VanDerWaalsContact C-CD 3.42Å; R280-P282 WeakPolarHBondContact O-CD 3.47Å
283S96.3Very high98Very high56 Ų5638.5 Ų38.539%0.39222%0.221SC..THydrogen-bonded Turntrans-83.7-21.1-172.653.20000114.3L254 L281L254-S283 PolarHBondContact O-OG 3.03Å; L281-S283 VanDerWaalsContact C-N 3.3Å; L281-S283 PolarHBondContact O-N 2.88Å
284I98.2Very high98Very high2 Ų241.3 Ų41.31%0.0124%0.243CC..  trans-71.8139.7-172.971.7173.5000111.3E255 V257 L281 L287 R297E255-I284 CarbonylContact O-C 3.5Å; E255-I284 WeakPolarHBondContact O-CA 3.39Å; V257-I284 HydrophobicContact CB-CG2 4.42Å; V257-I284 HydrophobicContact CG2-CG2 3.73Å; L281-I284 HydrophobicContact CB-CD1 3.77Å; L281-I284 HydrophobicContact CB-CG1 3.9Å; L281-I284 HydrophobicContact CB-CG2 3.98Å; L281-I284 HydrophobicContact CD1-CD1 3.92Å; L281-I284 WeakPolarHBondContact O-CG1 3.4Å; I284-L287 HydrophobicContact CD1-CB 3.98Å; I284-L287 HydrophobicContact CD1-CD1 4.12Å; I284-L287 HydrophobicContact CD1-CG 4.46Å; I284-R297 PolarHBondContact O-NH2 3.34Å
285V98.4Very high98Very high73 Ų7340.6 Ų40.644%0.44225%0.253SS..SBendtrans-107.6-13.8174.4-62.30000111.9E255 V292E255-V285 HydrophobicContact CB-CG2 3.9Å; E255-V285 HydrophobicContact CG-CG2 4.28Å; E255-V285 WeakPolarHBondContact O-CG2 3.36Å; E255-V285 PolarHBondContact O-N 3.2Å; V285-V292 PolarHBondContact O-N 2.77Å
286K98.7Very high98Very high85 Ų8541.1 Ų41.137%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-134.9134174.1-69.1177.5-173.51720110.9E255 E256 V257 S290 I291E255-K286 PolarHBondContact O-N 3Å; E256-K286 WeakPolarHBondContact CA-O 3.46Å; E256-K286 HydrophobicContact CB-CB 4.04Å; E256-K286 HydrophobicContact CG-CB 3.82Å; E256-K286 WeakPolarHBondContact OE2-CD 3.2Å; V257-K286 PolarHBondContact N-O 3.38Å; V257-K286 VanDerWaalsContact N-O 3.16Å; K286-S290 CarbonylContact C-O 3.51Å; K286-S290 WeakPolarHBondContact CA-O 3.34Å; K286-I291 HydrophobicContact CG-CG1 4.47Å
287L98.8Very high98Very high0 Ų042.6 Ų42.60%026%0.261CS..EExtended strand (participates in β ladder)trans-126.2122.4173.6179.261.8000109.3V257 R274 L277 I278 I284 G289 S290 V292V257-L287 WeakPolarHBondContact O-CA 3.07Å; R274-L287 HydrophobicContact CG-CD2 4.2Å; R274-L287 PolarHBondContact NH1-O 3.38Å; L277-L287 HydrophobicContact CB-CD1 4.49Å; L277-L287 HydrophobicContact CB-CD2 3.7Å; L277-L287 HydrophobicContact CD1-CD1 4.23Å; L277-L287 HydrophobicContact CD1-CD2 4.1Å; I278-L287 HydrophobicContact CD1-CD2 4.46Å; I278-L287 HydrophobicContact CG1-CD2 3.84Å; I284-L287 HydrophobicContact CD1-CB 3.98Å; I284-L287 HydrophobicContact CD1-CD1 4.12Å; I284-L287 HydrophobicContact CD1-CG 4.46Å; L287-G289 PolarHBondContact O-N 3.12Å; L287-S290 PolarHBondContact N-O 3.49Å; L287-S290 PolarHBondContact O-N 2.86Å; L287-S290 VanDerWaalsContact O-N 3.08Å; L287-V292 HydrophobicContact CB-CG2 4.06Å
288N97.9Very high98Very high42 Ų4246.2 Ų46.223%0.22528%0.278CS..THydrogen-bonded Turntrans53.939.6-178.3-65.2-46.2000113.1H235 V257 K258 L259 L260 S290H235-N288 PolarHBondContact NE2-OD1 2.83Å; H235-N288 VanDerWaalsContact NE2-OD1 3.12Å; V257-N288 PolarHBondContact O-N 3.16Å; K258-N288 WeakPolarHBondContact CA-OD1 3.28Å; L259-N288 PolarHBondContact N-OD1 3.15Å; L260-N288 HydrophobicContact CD2-CB 4.24Å; L260-N288 HydrophobicContact CG-CB 4.22Å; L260-N288 PolarHBondContact N-OD1 3.45Å; N288-S290 PolarHBondContact O-N 3.22Å
289G95.6Very high98Very high48 Ų4850.9 Ų50.950%0.49530%0.303SS..THydrogen-bonded Turntrans76.5-4-179.100000115.3L287L287-G289 PolarHBondContact O-N 3.12Å
290S97.6Very high98Very high65 Ų6551 Ų5146%0.45530%0.304SS..EExtended strand (participates in β ladder)trans-99.5136.9175.5-600000110.7K286 L287 N288K286-S290 CarbonylContact C-O 3.51Å; K286-S290 WeakPolarHBondContact CA-O 3.34Å; L287-S290 PolarHBondContact N-O 3.49Å; L287-S290 PolarHBondContact O-N 2.86Å; L287-S290 VanDerWaalsContact O-N 3.08Å; N288-S290 PolarHBondContact O-N 3.22Å
291I98.3Very high98Very high125 Ų12550.8 Ų50.864%0.64130%0.303SS*.EExtended strand (participates in β ladder)trans-60.1142.4175.6-63.4171.7000109.5R274 K286R274-I291 PolarHBondContact NH2-O 3.12Å; K286-I291 HydrophobicContact CG-CG1 4.47Å
292V98.6Very high98Very high12 Ų1254 Ų547%0.07332%0.315CS..  trans-98.3105.5168.6-1800000107.4I278 V285 L287 E296 R297I278-V292 HydrophobicContact CD1-CG1 4.05Å; I278-V292 HydrophobicContact CD1-CG2 4.09Å; I278-V292 HydrophobicContact CG1-CG1 4.15Å; I278-V292 HydrophobicContact CG1-CG2 4Å; I278-V292 HydrophobicContact CG2-CG1 3.76Å; V285-V292 PolarHBondContact O-N 2.77Å; L287-V292 HydrophobicContact CB-CG2 4.06Å; V292-E296 WeakPolarHBondContact CA-OE2 3.47Å; V292-R297 HydrophobicContact CG1-CB 4.1Å
293A98.2Very high98Very high53 Ų5353.6 Ų53.644%0.43831%0.308SS..  trans-76.5154.2178.500000111.1G295 E296 R297A293-G295 VanDerWaalsContact C-N 3.31Å; A293-G295 PolarHBondContact O-N 3.2Å; A293-E296 HydrophobicContact CB-CB 4.33Å; A293-E296 WeakPolarHBondContact O-CB 3.3Å; A293-E296 PolarHBondContact O-N 3.08Å; A293-E296 VanDerWaalsContact O-N 3.07Å; A293-R297 PolarHBondContact O-N 3.08Å
294D97.9Very high98.1Very high143 Ų14351 Ų5177%0.76529%0.29SS*.Hα-helixtrans-57.3-43.3-178.9-65.6-29.4000112.5E296 R297 E298D294-E296 PolarHBondContact O-N 3.3Å; D294-R297 WeakPolarHBondContact O-CB 3.45Å; D294-R297 PolarHBondContact O-N 2.97Å; D294-E298 PolarHBondContact O-N 3.48Å
295G98.1Very high98Very high41 Ų4150.9 Ų50.942%0.42329%0.289SS..Hα-helixtrans-63.8-40.517600000112.8A293 R297 E298 D299A293-G295 VanDerWaalsContact C-N 3.31Å; A293-G295 PolarHBondContact O-N 3.2Å; G295-R297 VanDerWaalsContact C-N 3.32Å; G295-R297 PolarHBondContact O-N 3.29Å; G295-E298 PolarHBondContact O-N 3.11Å; G295-D299 WeakPolarHBondContact O-CB 3.39Å; G295-D299 PolarHBondContact O-N 2.95Å
296E98.2Very high97.9Very high55 Ų5551.2 Ų51.226%0.25728%0.283SS..Hα-helixtrans-63.8-39.1174.9174.9-178.6-148.900111.5R274 I278 V292 A293 D294 D299 S300R274-E296 IonicContact CZ-OE1 2.68Å; R274-E296 VanDerWaalsContact CZ-OE1 3.23Å; R274-E296 IonicContact CZ-OE2 2.83Å; R274-E296 IonicContact NE-OE1 2.78Å; R274-E296 PolarHBondContact NE-OE1 3.18Å; R274-E296 IonicContact NE-OE2 2.6Å; R274-E296 VanDerWaalsContact NH2-CD 3.32Å; R274-E296 IonicContact NH2-OE1 3.94Å; R274-E296 PolarHBondContact NH2-OE1 2.84Å; R274-E296 IonicContact NH2-OE2 3.84Å; R274-E296 PolarHBondContact NH2-OE2 3.26Å; I278-E296 HydrophobicContact CD1-CG 3.88Å; I278-E296 WeakPolarHBondContact CD1-OE1 3.47Å; V292-E296 WeakPolarHBondContact CA-OE2 3.47Å; A293-E296 HydrophobicContact CB-CB 4.33Å; A293-E296 WeakPolarHBondContact O-CB 3.3Å; A293-E296 PolarHBondContact O-N 3.08Å; A293-E296 VanDerWaalsContact O-N 3.07Å; D294-E296 PolarHBondContact O-N 3.3Å; E296-D299 PolarHBondContact O-N 3.42Å; E296-S300 WeakPolarHBondContact O-CB 3.34Å; E296-S300 PolarHBondContact O-N 2.79Å; E296-S300 PolarHBondContact O-OG 3.18Å
297R98.6Very high97.7Very high31 Ų3149.8 Ų49.812%0.11728%0.275CS..Hα-helixtrans-63.4-47.5176.6178160.8-69.9-73.83.4111I278 L281 I284 V292 A293 D294 G295 D299 S300 E301I278-R297 HydrophobicContact CG2-CB 4.28Å; I278-R297 HydrophobicContact CG2-CG 4.36Å; I278-R297 PolarHBondContact O-NH1 2.72Å; L281-R297 PolarHBondContact O-NH1 3.17Å; L281-R297 VanDerWaalsContact O-NH1 3.15Å; L281-R297 PolarHBondContact O-NH2 3.5Å; I284-R297 PolarHBondContact O-NH2 3.34Å; V292-R297 HydrophobicContact CG1-CB 4.1Å; A293-R297 PolarHBondContact O-N 3.08Å; D294-R297 WeakPolarHBondContact O-CB 3.45Å; D294-R297 PolarHBondContact O-N 2.97Å; G295-R297 VanDerWaalsContact C-N 3.32Å; G295-R297 PolarHBondContact O-N 3.29Å; R297-D299 PolarHBondContact O-N 3.22Å; R297-S300 PolarHBondContact O-N 3.46Å; R297-E301 WeakPolarHBondContact O-CB 3.15Å; R297-E301 VanDerWaalsContact O-CG 3.28Å; R297-E301 WeakPolarHBondContact O-CG 3.37Å; R297-E301 PolarHBondContact O-N 3.45Å
298E98.3Very high97.5Very high79 Ų7950.3 Ų50.337%0.36928%0.277SS..Hα-helixtrans-58.9-46.9176.3-149.9-174.7134.600111.4D294 G295 S300 E301 R302 Y327D294-E298 PolarHBondContact O-N 3.48Å; G295-E298 PolarHBondContact O-N 3.11Å; E298-S300 PolarHBondContact O-N 3Å; E298-E301 PolarHBondContact O-N 3.48Å; E298-R302 VanDerWaalsContact CD-NH1 3.26Å; E298-R302 VanDerWaalsContact CG-NH1 3.25Å; E298-R302 WeakPolarHBondContact O-CG 3.39Å; E298-R302 PolarHBondContact O-N 2.91Å; E298-R302 IonicContact OE1-CZ 2.88Å; E298-R302 IonicContact OE1-NH1 3.93Å; E298-R302 PolarHBondContact OE1-NH1 3.47Å; E298-R302 IonicContact OE1-NH2 3.98Å; E298-R302 PolarHBondContact OE1-NH2 2.82Å; E298-Y327 HydrophobicContact CG-CE1 3.81Å; E298-Y327 WeakPolarHBondContact CG-OH 3.27Å
299D98Very high97.2Very high98 Ų9851.6 Ų51.652%0.52428%0.283SS..Hα-helixtrans-63-41.1177.6-75.5-17.6000112.4G295 E296 R297 F303G295-D299 WeakPolarHBondContact O-CB 3.39Å; G295-D299 PolarHBondContact O-N 2.95Å; E296-D299 PolarHBondContact O-N 3.42Å; R297-D299 PolarHBondContact O-N 3.22Å; D299-F303 VanDerWaalsContact O-CB 3.26Å; D299-F303 WeakPolarHBondContact O-CB 3.27Å; D299-F303 PolarHBondContact O-N 2.81Å
300S98.6Very high96.9Very high1 Ų158 Ų581%0.00730%0.3CS..Hα-helixtrans-66-42.6177.6-62.80000111.7E296 R297 E298 F303 F304E296-S300 WeakPolarHBondContact O-CB 3.34Å; E296-S300 PolarHBondContact O-N 2.79Å; E296-S300 PolarHBondContact O-OG 3.18Å; R297-S300 PolarHBondContact O-N 3.46Å; E298-S300 PolarHBondContact O-N 3Å; S300-F303 WeakPolarHBondContact O-CB 3.36Å; S300-F303 PolarHBondContact O-N 3.39Å; S300-F304 WeakPolarHBondContact O-CB 3.49Å; S300-F304 PolarHBondContact O-N 3.05Å
301E98.5Very high96.6Very high3 Ų358.5 Ų58.51%0.01429%0.294CS..Hα-helixtrans-66.7-39.6177.4-72.5178.7166.100112A279 R297 E298 F304 I305 R319 L323 K326 Y327A279-E301 HydrophobicContact CB-CG 4.33Å; R297-E301 WeakPolarHBondContact O-CB 3.15Å; R297-E301 VanDerWaalsContact O-CG 3.28Å; R297-E301 WeakPolarHBondContact O-CG 3.37Å; R297-E301 PolarHBondContact O-N 3.45Å; E298-E301 PolarHBondContact O-N 3.48Å; E301-F304 WeakPolarHBondContact O-CB 3.08Å; E301-F304 PolarHBondContact O-N 3.32Å; E301-I305 PolarHBondContact O-N 3.17Å; E301-I305 VanDerWaalsContact O-N 3.14Å; E301-R319 IonicContact OE1-NH2 3.65Å; E301-R319 PolarHBondContact OE1-NH2 3.05Å; E301-L323 HydrophobicContact CB-CD1 4.02Å; E301-L323 HydrophobicContact CB-CD2 3.82Å; E301-L323 HydrophobicContact CG-CD1 4.16Å; E301-L323 HydrophobicContact CG-CD2 3.69Å; E301-K326 IonicContact OE1-NZ 3.61Å; E301-K326 IonicContact OE2-NZ 3.05Å; E301-K326 PolarHBondContact OE2-NZ 3.26Å; E301-Y327 HydrophobicContact CB-CD2 4.48Å; E301-Y327 HydrophobicContact CB-CE2 3.62Å; E301-Y327 HydrophobicContact CG-CE2 4.45Å; E301-Y327 WeakPolarHBondContact OE2-CE2 3.3Å; E301-Y327 VanDerWaalsContact OE2-CZ 3.27Å; E301-Y327 PolarHBondContact OE2-OH 3.09Å
302R97.9Very high96.4Very high67 Ų6755.4 Ų55.425%0.25328%0.282SS..Hα-helixtrans-67.9-39.7173.2-70.4-163.1179.693.76.3112.9E298 F304 I305 R306 Y327 L330E298-R302 VanDerWaalsContact CD-NH1 3.26Å; E298-R302 VanDerWaalsContact CG-NH1 3.25Å; E298-R302 WeakPolarHBondContact O-CG 3.39Å; E298-R302 PolarHBondContact O-N 2.91Å; E298-R302 IonicContact OE1-CZ 2.88Å; E298-R302 IonicContact OE1-NH1 3.93Å; E298-R302 PolarHBondContact OE1-NH1 3.47Å; E298-R302 IonicContact OE1-NH2 3.98Å; E298-R302 PolarHBondContact OE1-NH2 2.82Å; R302-F304 VanDerWaalsContact C-N 3.26Å; R302-F304 PolarHBondContact O-N 3.37Å; R302-I305 PolarHBondContact O-N 3.46Å; R302-R306 PolarHBondContact O-N 3.01Å; R302-Y327 HydrophobicContact CG-CG 4.49Å; R302-L330 HydrophobicContact CB-CD1 3.68Å; R302-L330 HydrophobicContact CG-CD1 3.76Å
303F97.3Very high96Very high47 Ų4762.3 Ų62.321%0.20631%0.313CS..Hα-helixtrans-57.8-44.1172.1173.3-90.4000110.5E272 K275 L276 D299 S300 I305 R306 Y307E272-F303 HydrophobicContact CG-CE1 4.5Å; E272-F303 HydrophobicContact CG-CZ 3.87Å; K275-F303 HydrophobicContact CB-CD1 3.63Å; K275-F303 HydrophobicContact CB-CE1 4.17Å; K275-F303 HydrophobicContact CB-CG 4.16Å; K275-F303 HydrophobicContact CD-CB 3.8Å; K275-F303 HydrophobicContact CD-CD1 3.86Å; K275-F303 HydrophobicContact CD-CD2 3.89Å; K275-F303 HydrophobicContact CD-CE1 4.49Å; K275-F303 HydrophobicContact CD-CG 3.55Å; K275-F303 HydrophobicContact CG-CD1 4.41Å; K275-F303 HydrophobicContact CG-CG 4.49Å; L276-F303 HydrophobicContact CD2-CE1 4.14Å; L276-F303 HydrophobicContact CG-CE1 4.26Å; D299-F303 VanDerWaalsContact O-CB 3.26Å; D299-F303 WeakPolarHBondContact O-CB 3.27Å; D299-F303 PolarHBondContact O-N 2.81Å; S300-F303 WeakPolarHBondContact O-CB 3.36Å; S300-F303 PolarHBondContact O-N 3.39Å; F303-I305 PolarHBondContact O-N 3.15Å; F303-R306 PolarHBondContact O-N 3.11Å; F303-Y307 AromaticContact CE1-CD2 3.98Å; F303-Y307 HydrophobicContact CE1-CD2 3.98Å; F303-Y307 HydrophobicContact CE1-CG 4.32Å; F303-Y307 AromaticContact CZ-CD2 3.93Å; F303-Y307 HydrophobicContact CZ-CD2 3.93Å; F303-Y307 WeakPolarHBondContact O-CB 3.42Å; F303-Y307 PolarHBondContact O-N 2.89Å
304F97.6Very high95.6Very high0 Ų068 Ų680%033%0.331CS..Hα-helixtrans-60.4-43.2179.2-169.3-88.6000113L276 A279 R280 S300 E301 R302 Y307 Y308 P317 R319 L323L276-F304 HydrophobicContact CD2-CD2 3.8Å; L276-F304 HydrophobicContact CD2-CE2 4.19Å; A279-F304 HydrophobicContact CB-CB 3.45Å; A279-F304 VanDerWaalsContact CB-CB 3.45Å; A279-F304 HydrophobicContact CB-CD2 3.51Å; A279-F304 HydrophobicContact CB-CE2 4.34Å; A279-F304 HydrophobicContact CB-CG 3.62Å; R280-F304 HydrophobicContact CG-CD2 4.45Å; R280-F304 HydrophobicContact CG-CE2 3.49Å; R280-F304 VanDerWaalsContact CG-CE2 3.49Å; R280-F304 HydrophobicContact CG-CZ 3.87Å; S300-F304 WeakPolarHBondContact O-CB 3.49Å; S300-F304 PolarHBondContact O-N 3.05Å; E301-F304 WeakPolarHBondContact O-CB 3.08Å; E301-F304 PolarHBondContact O-N 3.32Å; R302-F304 VanDerWaalsContact C-N 3.26Å; R302-F304 PolarHBondContact O-N 3.37Å; F304-Y307 PolarHBondContact O-N 2.62Å; F304-Y308 AromaticContact CD1-CD2 3.9Å; F304-Y308 HydrophobicContact CD1-CD2 3.9Å; F304-Y308 HydrophobicContact CD1-CE2 4.3Å; F304-Y308 HydrophobicContact CD2-CD2 4.25Å; F304-Y308 AromaticContact CD2-CE2 3.95Å; F304-Y308 HydrophobicContact CD2-CE2 3.95Å; F304-Y308 AromaticContact CE1-CD2 3.65Å; F304-Y308 HydrophobicContact CE1-CD2 3.65Å; F304-Y308 AromaticContact CE1-CE2 3.82Å; F304-Y308 HydrophobicContact CE1-CE2 3.82Å; F304-Y308 HydrophobicContact CE2-CD2 4.01Å; F304-Y308 AromaticContact CE2-CE2 3.41Å; F304-Y308 HydrophobicContact CE2-CE2 3.41Å; F304-Y308 VanDerWaalsContact CE2-CE2 3.41Å; F304-Y308 HydrophobicContact CG-CD2 4.22Å; F304-Y308 HydrophobicContact CG-CE2 4.38Å; F304-Y308 AromaticContact CZ-CD2 3.74Å; F304-Y308 HydrophobicContact CZ-CD2 3.74Å; F304-Y308 AromaticContact CZ-CE2 3.37Å; F304-Y308 HydrophobicContact CZ-CE2 3.37Å; F304-Y308 WeakPolarHBondContact O-CD2 2.97Å; F304-Y308 PolarHBondContact O-N 3.47Å; F304-P317 HydrophobicContact CE1-CG 3.81Å; F304-P317 HydrophobicContact CZ-CG 3.5Å; F304-P317 VanDerWaalsContact CZ-CG 3.5Å; F304-R319 HydrophobicContact CE1-CB 4.21Å; F304-R319 HydrophobicContact CE1-CG 4.12Å; F304-R319 HydrophobicContact CZ-CB 4.32Å; F304-R319 HydrophobicContact CZ-CG 4.3Å; F304-L323 HydrophobicContact CB-CD1 4.09Å; F304-L323 HydrophobicContact CD1-CD1 3.66Å; F304-L323 HydrophobicContact CE1-CD1 4.38Å; F304-L323 HydrophobicContact CG-CD1 4.1Å
305I97.2Very high95.2Very high1 Ų166.9 Ų66.91%0.00532%0.321CS..Hα-helixtrans-55.5-55.5172.9-66.3166.9000109.1E301 R302 F303 Y307 Y308 M309 Y320 L323 V324 Y327 L330E301-I305 PolarHBondContact O-N 3.17Å; E301-I305 VanDerWaalsContact O-N 3.14Å; R302-I305 PolarHBondContact O-N 3.46Å; F303-I305 PolarHBondContact O-N 3.15Å; I305-Y307 VanDerWaalsContact C-N 3.27Å; I305-Y307 PolarHBondContact O-N 2.97Å; I305-Y308 PolarHBondContact O-N 3.49Å; I305-M309 WeakPolarHBondContact O-CG 3.37Å; I305-M309 PolarHBondContact O-N 2.59Å; I305-Y320 HydrophobicContact CB-CE2 4.4Å; I305-Y320 HydrophobicContact CG2-CE2 3.97Å; I305-Y320 WeakPolarHBondContact O-CE2 3.34Å; I305-L323 HydrophobicContact CD1-CB 3.94Å; I305-L323 HydrophobicContact CG1-CB 3.78Å; I305-V324 HydrophobicContact CG1-CG2 4.32Å; I305-V324 HydrophobicContact CG2-CG2 4.1Å; I305-Y327 HydrophobicContact CD1-CD2 3.98Å; I305-Y327 HydrophobicContact CD1-CG 4.36Å; I305-L330 HydrophobicContact CB-CD1 4.16Å; I305-L330 HydrophobicContact CD1-CD1 3.95Å; I305-L330 HydrophobicContact CD1-CG 4.28Å; I305-L330 HydrophobicContact CG2-CB 4.26Å; I305-L330 HydrophobicContact CG2-CD1 4.25Å; I305-L330 HydrophobicContact CG2-CG 4.22Å
306R95.6Very high94.9Very high80 Ų8066 Ų6630%0.30231%0.308SS..Hα-helixtrans-60.8-35.7-178.4-68.9177.4176.9135.8-2.1113.4R302 F303 Y308 M309 L330 E331 L333R302-R306 PolarHBondContact O-N 3.01Å; F303-R306 PolarHBondContact O-N 3.11Å; R306-Y308 VanDerWaalsContact C-N 3.33Å; R306-Y308 PolarHBondContact O-N 2.84Å; R306-M309 HydrophobicContact CB-SD 4.31Å; R306-M309 HydrophobicContact CG-SD 4.05Å; R306-M309 PolarHBondContact O-N 2.89Å; R306-L330 HydrophobicContact CG-CB 4.38Å; R306-E331 PolarHBondContact NE-O 3.36Å; R306-E331 VanDerWaalsContact NE-O 3.11Å; R306-L333 VanDerWaalsContact CZ-CD2 3.45Å
307Y94.9Very high94.8Very high55 Ų5564.2 Ų64.222%0.21630%0.301CS..Hα-helixtrans-61.6-41.7178.5-178.2-85.4000111.5Y268 L276 F303 F304 I305 F311Y268-Y307 HydrophobicContact CE1-CE2 4.34Å; Y268-Y307 AromaticContact CE1-CZ 3.96Å; Y268-Y307 WeakPolarHBondContact CE1-OH 3.4Å; L276-Y307 HydrophobicContact CD1-CE2 4.41Å; L276-Y307 HydrophobicContact CD2-CD1 3.89Å; L276-Y307 HydrophobicContact CD2-CD2 4.26Å; L276-Y307 HydrophobicContact CD2-CE1 4.26Å; L276-Y307 HydrophobicContact CD2-CG 3.92Å; F303-Y307 AromaticContact CE1-CD2 3.98Å; F303-Y307 HydrophobicContact CE1-CD2 3.98Å; F303-Y307 HydrophobicContact CE1-CG 4.32Å; F303-Y307 AromaticContact CZ-CD2 3.93Å; F303-Y307 HydrophobicContact CZ-CD2 3.93Å; F303-Y307 WeakPolarHBondContact O-CB 3.42Å; F303-Y307 PolarHBondContact O-N 2.89Å; F304-Y307 PolarHBondContact O-N 2.62Å; I305-Y307 VanDerWaalsContact C-N 3.27Å; I305-Y307 PolarHBondContact O-N 2.97Å; Y307-F311 HydrophobicContact CD1-CE2 4.25Å; Y307-F311 AromaticContact CE1-CE2 3.87Å; Y307-F311 HydrophobicContact CE1-CE2 3.87Å; Y307-F311 AromaticContact CE1-CZ 3.73Å; Y307-F311 HydrophobicContact CE1-CZ 3.73Å; Y307-F311 VanDerWaalsContact O-CD2 3.23Å; Y307-F311 WeakPolarHBondContact O-CD2 3.44Å; Y307-F311 WeakPolarHBondContact O-CE2 3.34Å
308Y95.1Very high94.6Very high10 Ų1070.1 Ų70.14%0.03933%0.328CS..Hα-helixtrans-91.41.7-179-76.7-75000114.5L276 R280 F304 I305 R306 E310 F311 P317L276-Y308 HydrophobicContact CD2-CE2 4.42Å; R280-Y308 PolarHBondContact NH2-OH 3.3Å; F304-Y308 AromaticContact CD1-CD2 3.9Å; F304-Y308 HydrophobicContact CD1-CD2 3.9Å; F304-Y308 HydrophobicContact CD1-CE2 4.3Å; F304-Y308 HydrophobicContact CD2-CD2 4.25Å; F304-Y308 AromaticContact CD2-CE2 3.95Å; F304-Y308 HydrophobicContact CD2-CE2 3.95Å; F304-Y308 AromaticContact CE1-CD2 3.65Å; F304-Y308 HydrophobicContact CE1-CD2 3.65Å; F304-Y308 AromaticContact CE1-CE2 3.82Å; F304-Y308 HydrophobicContact CE1-CE2 3.82Å; F304-Y308 HydrophobicContact CE2-CD2 4.01Å; F304-Y308 AromaticContact CE2-CE2 3.41Å; F304-Y308 HydrophobicContact CE2-CE2 3.41Å; F304-Y308 VanDerWaalsContact CE2-CE2 3.41Å; F304-Y308 HydrophobicContact CG-CD2 4.22Å; F304-Y308 HydrophobicContact CG-CE2 4.38Å; F304-Y308 AromaticContact CZ-CD2 3.74Å; F304-Y308 HydrophobicContact CZ-CD2 3.74Å; F304-Y308 AromaticContact CZ-CE2 3.37Å; F304-Y308 HydrophobicContact CZ-CE2 3.37Å; F304-Y308 WeakPolarHBondContact O-CD2 2.97Å; F304-Y308 PolarHBondContact O-N 3.47Å; I305-Y308 PolarHBondContact O-N 3.49Å; R306-Y308 VanDerWaalsContact C-N 3.33Å; R306-Y308 PolarHBondContact O-N 2.84Å; Y308-E310 VanDerWaalsContact C-N 3.27Å; Y308-E310 PolarHBondContact O-N 2.85Å; Y308-F311 HydrophobicContact CD1-CB 4.13Å; Y308-F311 HydrophobicContact CD1-CD1 4.14Å; Y308-F311 HydrophobicContact CD1-CD2 4.15Å; Y308-F311 AromaticContact CD1-CG 3.87Å; Y308-F311 HydrophobicContact CD1-CG 3.87Å; Y308-F311 HydrophobicContact CE1-CD1 4.23Å; Y308-F311 HydrophobicContact CE1-CE1 4.44Å; Y308-F311 HydrophobicContact CE1-CG 4.41Å; Y308-F311 PolarHBondContact O-N 3.27Å; Y308-P317 HydrophobicContact CD1-CG 4.47Å; Y308-P317 HydrophobicContact CD2-CG 4.2Å; Y308-P317 HydrophobicContact CE1-CG 4.2Å; Y308-P317 HydrophobicContact CE2-CG 3.93Å; Y308-P317 HydrophobicContact CG-CG 4.49Å
309M91.3Very high94.5Very high69 Ų6968 Ų6834%0.3432%0.316SS..THydrogen-bonded Turntrans-61.2-32.6-177.2-81.3177.772.900114.1I305 R306 L330 P332I305-M309 WeakPolarHBondContact O-CG 3.37Å; I305-M309 PolarHBondContact O-N 2.59Å; R306-M309 HydrophobicContact CB-SD 4.31Å; R306-M309 HydrophobicContact CG-SD 4.05Å; R306-M309 PolarHBondContact O-N 2.89Å; M309-L330 WeakPolarHBondContact CE-O 3.42Å; M309-P332 HydrophobicContact CE-CG 4.04Å
310E88.4Confident94.4Very high184 Ų18465.1 Ų65.186%0.8630%0.298SS*.THydrogen-bonded Turntrans-101.11.4-176.7-59.5-169.5161.600113.1Y308Y308-E310 VanDerWaalsContact C-N 3.27Å; Y308-E310 PolarHBondContact O-N 2.85Å
311F93.1Very high94.3Very high75 Ų7569 Ų6933%0.32932%0.316SS..SBendtrans-80148.3179.2-79.3-112000110.9Y307 Y308 E315 V316Y307-F311 HydrophobicContact CD1-CE2 4.25Å; Y307-F311 AromaticContact CE1-CE2 3.87Å; Y307-F311 HydrophobicContact CE1-CE2 3.87Å; Y307-F311 AromaticContact CE1-CZ 3.73Å; Y307-F311 HydrophobicContact CE1-CZ 3.73Å; Y307-F311 VanDerWaalsContact O-CD2 3.23Å; Y307-F311 WeakPolarHBondContact O-CD2 3.44Å; Y307-F311 WeakPolarHBondContact O-CE2 3.34Å; Y308-F311 HydrophobicContact CD1-CB 4.13Å; Y308-F311 HydrophobicContact CD1-CD1 4.14Å; Y308-F311 HydrophobicContact CD1-CD2 4.15Å; Y308-F311 AromaticContact CD1-CG 3.87Å; Y308-F311 HydrophobicContact CD1-CG 3.87Å; Y308-F311 HydrophobicContact CE1-CD1 4.23Å; Y308-F311 HydrophobicContact CE1-CE1 4.44Å; Y308-F311 HydrophobicContact CE1-CG 4.41Å; Y308-F311 PolarHBondContact O-N 3.27Å; F311-E315 HydrophobicContact CD1-CB 4.36Å; F311-V316 HydrophobicContact CB-CG2 4.07Å
312P93.5Very high94.2Very high60 Ų6072.8 Ų72.839%0.3933%0.334SS..  trans-56.9145.5170.1-21.232.6000111.5E314 E315 V316P312-E314 WeakPolarHBondContact CB-OE2 3.41Å; P312-E314 PolarHBondContact O-N 3.33Å; P312-E314 VanDerWaalsContact O-N 3.11Å; P312-E315 HydrophobicContact CB-CG 4.42Å; P312-E315 HydrophobicContact CG-CG 4.43Å; P312-E315 PolarHBondContact O-N 3.4Å; P312-V316 WeakPolarHBondContact O-CG2 3.03Å; P312-V316 PolarHBondContact O-N 2.84Å
313E89.6Confident94.2Very high156 Ų15669.6 Ų69.673%0.72932%0.322SS*.G310 helixtrans-57.8-30.8-175.8-171169-16700112.4E315 V316E313-E315 VanDerWaalsContact C-N 3.3Å; E313-E315 PolarHBondContact O-N 3.14Å; E313-V316 PolarHBondContact O-N 3.48Å
314E90.2Very high94.2Very high172 Ų17268.6 Ų68.680%0.80432%0.319SS*.G310 helixtrans-70.7-21.9177.7-56.181.7-178.200113.9P312P312-E314 WeakPolarHBondContact CB-OE2 3.41Å; P312-E314 PolarHBondContact O-N 3.33Å; P312-E314 VanDerWaalsContact O-N 3.11Å
315E89.3Confident94.1Very high121 Ų12174.5 Ų74.557%0.56536%0.356SS*.G310 helixtrans-97.4-7.1-180-63.2-176.3-164.800112.5F311 P312 E313F311-E315 HydrophobicContact CD1-CB 4.36Å; P312-E315 HydrophobicContact CB-CG 4.42Å; P312-E315 HydrophobicContact CG-CG 4.43Å; P312-E315 PolarHBondContact O-N 3.4Å; E313-E315 VanDerWaalsContact C-N 3.3Å; E313-E315 PolarHBondContact O-N 3.14Å
316V92.8Very high94.1Very high22 Ų2280.4 Ų80.413%0.13338%0.381CS..SBendtrans-80.2122.2-177.6173.60000109.7F311 P312 E313 Y320F311-V316 HydrophobicContact CB-CG2 4.07Å; P312-V316 WeakPolarHBondContact O-CG2 3.03Å; P312-V316 PolarHBondContact O-N 2.84Å; E313-V316 PolarHBondContact O-N 3.48Å; V316-Y320 HydrophobicContact CG1-CD1 3.28Å; V316-Y320 HydrophobicContact CG1-CD2 4.28Å; V316-Y320 HydrophobicContact CG1-CE1 4.06Å; V316-Y320 HydrophobicContact CG1-CG 3.4Å
317P94.9Very high94.2Very high17 Ų1778.9 Ų78.911%0.1138%0.376CS..  trans-70149.3-179.729.5-36.1000111.1F304 Y308 R319 Y320F304-P317 HydrophobicContact CE1-CG 3.81Å; F304-P317 HydrophobicContact CZ-CG 3.5Å; F304-P317 VanDerWaalsContact CZ-CG 3.5Å; Y308-P317 HydrophobicContact CD1-CG 4.47Å; Y308-P317 HydrophobicContact CD2-CG 4.2Å; Y308-P317 HydrophobicContact CE1-CG 4.2Å; Y308-P317 HydrophobicContact CE2-CG 3.93Å; Y308-P317 HydrophobicContact CG-CG 4.49Å; P317-R319 PolarHBondContact O-N 3.4Å; P317-Y320 VanDerWaalsContact O-CB 3.22Å; P317-Y320 WeakPolarHBondContact O-CB 3.35Å; P317-Y320 PolarHBondContact O-N 2.83Å
318F94.2Very high94.1Very high156 Ų15677.8 Ų77.868%0.68438%0.382SS*.Hα-helixtrans-49.7-37.7177.8-179.7-100.8000113Y320 H321 E322F318-Y320 PolarHBondContact O-N 3.19Å; F318-Y320 VanDerWaalsContact O-N 3.11Å; F318-H321 PolarHBondContact O-N 3.43Å; F318-E322 HydrophobicContact CD1-CG 3.95Å; F318-E322 HydrophobicContact CE1-CG 3.58Å; F318-E322 HydrophobicContact CZ-CG 4.25Å; F318-E322 PolarHBondContact O-N 2.79Å
319R96Very high93.9Very high33 Ų3386.1 Ų86.113%0.12542%0.418CS..Hα-helixtrans-51.8-34176.2-176.856.1177.81685.4113.6A279 E301 F304 P317 H321 E322 L323A279-R319 PolarHBondContact O-NE 3.13Å; E301-R319 IonicContact OE1-NH2 3.65Å; E301-R319 PolarHBondContact OE1-NH2 3.05Å; F304-R319 HydrophobicContact CE1-CB 4.21Å; F304-R319 HydrophobicContact CE1-CG 4.12Å; F304-R319 HydrophobicContact CZ-CB 4.32Å; F304-R319 HydrophobicContact CZ-CG 4.3Å; P317-R319 PolarHBondContact O-N 3.4Å; R319-H321 VanDerWaalsContact C-N 3.35Å; R319-H321 PolarHBondContact O-N 2.81Å; R319-E322 WeakPolarHBondContact CD-OE2 3.35Å; R319-E322 IonicContact CZ-OE2 3.87Å; R319-E322 IonicContact NE-OE2 3.5Å; R319-E322 IonicContact NH1-OE2 2.75Å; R319-E322 PolarHBondContact NH1-OE2 3Å; R319-E322 PolarHBondContact O-N 2.86Å; R319-L323 HydrophobicContact CG-CD1 4.15Å; R319-L323 HydrophobicContact CG-CG 4.37Å; R319-L323 VanDerWaalsContact O-CG 3.3Å; R319-L323 WeakPolarHBondContact O-CG 3.11Å; R319-L323 PolarHBondContact O-N 2.87Å
320Y96.8Very high93.9Very high39 Ų3984.2 Ų84.215%0.15341%0.409CS..Hα-helixtrans-59.3-45.9176.4171-95.7000111.6I305 V316 P317 F318 E322 L323 V324I305-Y320 HydrophobicContact CB-CE2 4.4Å; I305-Y320 HydrophobicContact CG2-CE2 3.97Å; I305-Y320 WeakPolarHBondContact O-CE2 3.34Å; V316-Y320 HydrophobicContact CG1-CD1 3.28Å; V316-Y320 HydrophobicContact CG1-CD2 4.28Å; V316-Y320 HydrophobicContact CG1-CE1 4.06Å; V316-Y320 HydrophobicContact CG1-CG 3.4Å; P317-Y320 VanDerWaalsContact O-CB 3.22Å; P317-Y320 WeakPolarHBondContact O-CB 3.35Å; P317-Y320 PolarHBondContact O-N 2.83Å; F318-Y320 PolarHBondContact O-N 3.19Å; F318-Y320 VanDerWaalsContact O-N 3.11Å; Y320-E322 VanDerWaalsContact C-N 3.33Å; Y320-E322 PolarHBondContact O-N 3.43Å; Y320-L323 PolarHBondContact O-N 3.41Å; Y320-L323 VanDerWaalsContact O-N 3.16Å; Y320-V324 HydrophobicContact CD1-CG2 4.13Å; Y320-V324 HydrophobicContact CD2-CG2 4.31Å; Y320-V324 HydrophobicContact CE1-CG2 3.74Å; Y320-V324 HydrophobicContact CE2-CG2 3.91Å; Y320-V324 HydrophobicContact CG-CG2 4.42Å; Y320-V324 WeakPolarHBondContact O-CG2 3.42Å; Y320-V324 PolarHBondContact O-N 2.98Å
321H95.5Very high93.8Very high82 Ų8282.6 Ų82.638%0.3840%0.401SS..Hα-helixtrans-66.3-36.1-179.1-60.8-73000112.1F318 R319 L323 T325F318-H321 PolarHBondContact O-N 3.43Å; R319-H321 VanDerWaalsContact C-N 3.35Å; R319-H321 PolarHBondContact O-N 2.81Å; H321-L323 VanDerWaalsContact C-N 3.34Å; H321-T325 WeakPolarHBondContact O-CB 3.26Å; H321-T325 PolarHBondContact O-N 3.37Å; H321-T325 PolarHBondContact O-OG1 3.49Å
322E96.9Very high93.4Very high82 Ų8283 Ų8338%0.38341%0.411SS..Hα-helixtrans-60.8-45.4172.1-58.4-173.7117.400111.3F318 R319 Y320 T325 K326F318-E322 HydrophobicContact CD1-CG 3.95Å; F318-E322 HydrophobicContact CE1-CG 3.58Å; F318-E322 HydrophobicContact CZ-CG 4.25Å; F318-E322 PolarHBondContact O-N 2.79Å; R319-E322 WeakPolarHBondContact CD-OE2 3.35Å; R319-E322 IonicContact CZ-OE2 3.87Å; R319-E322 IonicContact NE-OE2 3.5Å; R319-E322 IonicContact NH1-OE2 2.75Å; R319-E322 PolarHBondContact NH1-OE2 3Å; R319-E322 PolarHBondContact O-N 2.86Å; Y320-E322 VanDerWaalsContact C-N 3.33Å; Y320-E322 PolarHBondContact O-N 3.43Å; E322-T325 WeakPolarHBondContact O-CB 3.21Å; E322-T325 PolarHBondContact O-N 3.21Å; E322-K326 PolarHBondContact O-N 2.97Å
323L97.9Very high92.9Very high1 Ų185.8 Ų85.81%0.00542%0.423CS..Hα-helixtrans-70.1-38.4-178.8-67.7-179000112.4A279 E301 F304 I305 R319 Y320 H321 T325 K326 Y327A279-L323 HydrophobicContact CB-CD1 4.41Å; E301-L323 HydrophobicContact CB-CD1 4.02Å; E301-L323 HydrophobicContact CB-CD2 3.82Å; E301-L323 HydrophobicContact CG-CD1 4.16Å; E301-L323 HydrophobicContact CG-CD2 3.69Å; F304-L323 HydrophobicContact CB-CD1 4.09Å; F304-L323 HydrophobicContact CD1-CD1 3.66Å; F304-L323 HydrophobicContact CE1-CD1 4.38Å; F304-L323 HydrophobicContact CG-CD1 4.1Å; I305-L323 HydrophobicContact CD1-CB 3.94Å; I305-L323 HydrophobicContact CG1-CB 3.78Å; R319-L323 HydrophobicContact CG-CD1 4.15Å; R319-L323 HydrophobicContact CG-CG 4.37Å; R319-L323 VanDerWaalsContact O-CG 3.3Å; R319-L323 WeakPolarHBondContact O-CG 3.11Å; R319-L323 PolarHBondContact O-N 2.87Å; Y320-L323 PolarHBondContact O-N 3.41Å; Y320-L323 VanDerWaalsContact O-N 3.16Å; H321-L323 VanDerWaalsContact C-N 3.34Å; L323-T325 VanDerWaalsContact C-N 3.29Å; L323-T325 PolarHBondContact O-N 3.43Å; L323-K326 PolarHBondContact O-N 3.12Å; L323-K326 VanDerWaalsContact O-N 3.14Å; L323-Y327 HydrophobicContact CD2-CD2 4.45Å; L323-Y327 HydrophobicContact CD2-CE2 4.08Å; L323-Y327 WeakPolarHBondContact O-CD2 3.44Å; L323-Y327 PolarHBondContact O-N 2.83Å
324V96.7Very high92.1Very high26 Ų2682.4 Ų82.416%0.15842%0.421CS..Hα-helixtrans-63.5-37172171.10000111.1I305 Y320 K326 G328 K329I305-V324 HydrophobicContact CG1-CG2 4.32Å; I305-V324 HydrophobicContact CG2-CG2 4.1Å; Y320-V324 HydrophobicContact CD1-CG2 4.13Å; Y320-V324 HydrophobicContact CD2-CG2 4.31Å; Y320-V324 HydrophobicContact CE1-CG2 3.74Å; Y320-V324 HydrophobicContact CE2-CG2 3.91Å; Y320-V324 HydrophobicContact CG-CG2 4.42Å; Y320-V324 WeakPolarHBondContact O-CG2 3.42Å; Y320-V324 PolarHBondContact O-N 2.98Å; V324-K326 VanDerWaalsContact C-N 3.29Å; V324-K326 PolarHBondContact O-N 3.32Å; V324-G328 CarbonylContact O-C 3.35Å; V324-G328 WeakPolarHBondContact O-CA 3.24Å; V324-G328 PolarHBondContact O-N 2.83Å; V324-K329 HydrophobicContact CG1-CG 3.97Å
325T97.3Very high91.1Very high124 Ų12481.3 Ų81.376%0.76143%0.426SS*.Hα-helixtrans-63.9-37.6173.6-57.90000111.3H321 E322 L323H321-T325 WeakPolarHBondContact O-CB 3.26Å; H321-T325 PolarHBondContact O-N 3.37Å; H321-T325 PolarHBondContact O-OG1 3.49Å; E322-T325 WeakPolarHBondContact O-CB 3.21Å; E322-T325 PolarHBondContact O-N 3.21Å; L323-T325 VanDerWaalsContact C-N 3.29Å; L323-T325 PolarHBondContact O-N 3.43Å
326K97.1Very high90Very high124 Ų12480.3 Ų80.354%0.53943%0.428SS..Hα-helixtrans-74.6-44.8179.9-177.5178.4174-1710113.7E301 E322 L323 V324E301-K326 IonicContact OE1-NZ 3.61Å; E301-K326 IonicContact OE2-NZ 3.05Å; E301-K326 PolarHBondContact OE2-NZ 3.26Å; E322-K326 PolarHBondContact O-N 2.97Å; L323-K326 PolarHBondContact O-N 3.12Å; L323-K326 VanDerWaalsContact O-N 3.14Å; V324-K326 VanDerWaalsContact C-N 3.29Å; V324-K326 PolarHBondContact O-N 3.32Å
327Y96.5Very high88.7Confident48 Ų4883.8 Ų83.819%0.18845%0.446CS..Hα-helixtrans-109.7-8.7-170.5-65.4-69.2000114.7E298 E301 R302 I305 L323E298-Y327 HydrophobicContact CG-CE1 3.81Å; E298-Y327 WeakPolarHBondContact CG-OH 3.27Å; E301-Y327 HydrophobicContact CB-CD2 4.48Å; E301-Y327 HydrophobicContact CB-CE2 3.62Å; E301-Y327 HydrophobicContact CG-CE2 4.45Å; E301-Y327 WeakPolarHBondContact OE2-CE2 3.3Å; E301-Y327 VanDerWaalsContact OE2-CZ 3.27Å; E301-Y327 PolarHBondContact OE2-OH 3.09Å; R302-Y327 HydrophobicContact CG-CG 4.49Å; I305-Y327 HydrophobicContact CD1-CD2 3.98Å; I305-Y327 HydrophobicContact CD1-CG 4.36Å; L323-Y327 HydrophobicContact CD2-CD2 4.45Å; L323-Y327 HydrophobicContact CD2-CE2 4.08Å; L323-Y327 WeakPolarHBondContact O-CD2 3.44Å; L323-Y327 PolarHBondContact O-N 2.83Å
328G94.1Very high87.8Confident33 Ų3390.3 Ų90.334%0.3448%0.479SS..  trans79.7179.7-168.800000112.8V324 L330V324-G328 CarbonylContact O-C 3.35Å; V324-G328 WeakPolarHBondContact O-CA 3.24Å; V324-G328 PolarHBondContact O-N 2.83Å; G328-L330 PolarHBondContact O-N 3.13Å
329K89.2Confident86.9Confident184 Ų18491.9 Ų91.980%0.848%0.48SS*.PPolyproline II helixtrans-76.2118.6171.3-67.1-175177.4-173.70108.4V324V324-K329 HydrophobicContact CG1-CG 3.97Å
330L91.4Very high85.7Confident29 Ų2995.9 Ų95.915%0.15251%0.511CS..PPolyproline II helixtrans-88.5145.7178.3-59.7-178.9000110.1R302 I305 R306 M309 G328R302-L330 HydrophobicContact CB-CD1 3.68Å; R302-L330 HydrophobicContact CG-CD1 3.76Å; I305-L330 HydrophobicContact CB-CD1 4.16Å; I305-L330 HydrophobicContact CD1-CD1 3.95Å; I305-L330 HydrophobicContact CD1-CG 4.28Å; I305-L330 HydrophobicContact CG2-CB 4.26Å; I305-L330 HydrophobicContact CG2-CD1 4.25Å; I305-L330 HydrophobicContact CG2-CG 4.22Å; R306-L330 HydrophobicContact CG-CB 4.38Å; M309-L330 WeakPolarHBondContact CE-O 3.42Å; G328-L330 PolarHBondContact O-N 3.13Å
331E87.1Confident84.9Confident150 Ų15098.4 Ų98.470%0.70152%0.524SS*.PPolyproline II helixtrans-77.2153.5169.3-65.6-63.1151.900110.9R306R306-E331 PolarHBondContact NE-O 3.36Å; R306-E331 VanDerWaalsContact NE-O 3.11Å
332P85.3Confident84.5Confident83 Ų8398.6 Ų98.654%0.53954%0.535SS..PPolyproline II helixtrans-56.4149.3169.8-21.433.8000111.3M309 A334M309-P332 HydrophobicContact CE-CG 4.04Å; P332-A334 PolarHBondContact O-N 3.26Å
333L81.6Confident84.3Confident120 Ų12097.1 Ų97.163%0.62853%0.533SS*.PPolyproline II helixtrans-69.9129.4173.6-70.5173.1000109.5R306 V335R306-L333 VanDerWaalsContact CZ-CD2 3.45Å; L333-V335 PolarHBondContact O-N 3.12Å
334A73.7Confident84Confident84 Ų8497.1 Ų97.169%0.69453%0.533SS*.PPolyproline II helixtrans-64.5126.9170.800000109.5P332 V336P332-A334 PolarHBondContact O-N 3.26Å; A334-V336 HydrophobicContact CB-CG2 4.09Å; A334-V336 PolarHBondContact O-N 3.08Å
335V68.9Low83.9Confident150 Ų150101.3 Ų101.391%0.90955%0.549SS*.  trans-74.594.3170.3-177.60000107.4L333L333-V335 PolarHBondContact O-N 3.12Å
336V67.1Low83.7Confident100 Ų10095.5 Ų95.561%0.60651%0.513SS*.  trans-95.2109.1176.1-1740000108.4A334 L338A334-V336 HydrophobicContact CB-CG2 4.09Å; A334-V336 PolarHBondContact O-N 3.08Å; V336-L338 HydrophobicContact CG1-CD2 3.63Å; V336-L338 HydrophobicContact CG1-CG 4.09Å; V336-L338 PolarHBondContact O-N 2.81Å; V336-L338 VanDerWaalsContact O-N 3.16Å
337D65.3Low83.6Confident95 Ų9592.6 Ų92.651%0.50850%0.502SS..  trans-75.1101.1169.8-169.90000109.2R339D337-R339 PolarHBondContact O-N 3.22Å; D337-R339 WeakPolarHBondContact OD1-CB 3.35Å; D337-R339 WeakPolarHBondContact OD1-CG 3.28Å; D337-R339 IonicContact OD1-CZ 2.76Å; D337-R339 PolarHBondContact OD1-N 3.31Å; D337-R339 IonicContact OD1-NE 2.63Å; D337-R339 PolarHBondContact OD1-NE 2.89Å; D337-R339 IonicContact OD1-NH2 3.69Å; D337-R339 IonicContact OD2-CZ 3.82Å; D337-R339 VanDerWaalsContact OD2-CZ 3.3Å; D337-R339 IonicContact OD2-NE 2.64Å; D337-R339 PolarHBondContact OD2-NE 3.29Å; D337-R339 VanDerWaalsContact OD2-NE 3.08Å; D337-R339 IonicContact OD2-NH2 3.5Å; D337-R339 PolarHBondContact OD2-NH2 3.23Å
338L74.5Confident83.4Confident153 Ų15390.4 Ų90.480%0.80149%0.493SS*.  trans-84.13.7177.1-63.4174.7000112.7V336V336-L338 HydrophobicContact CG1-CD2 3.63Å; V336-L338 HydrophobicContact CG1-CG 4.09Å; V336-L338 PolarHBondContact O-N 2.81Å; V336-L338 VanDerWaalsContact O-N 3.16Å
339R75.1Confident83.3Confident189 Ų18990.4 Ų90.471%0.71349%0.485SS*.SBendtrans-63.4135.9176.4-68.1177.5-66179.91.6109.3D337 Q341D337-R339 PolarHBondContact O-N 3.22Å; D337-R339 WeakPolarHBondContact OD1-CB 3.35Å; D337-R339 WeakPolarHBondContact OD1-CG 3.28Å; D337-R339 IonicContact OD1-CZ 2.76Å; D337-R339 PolarHBondContact OD1-N 3.31Å; D337-R339 IonicContact OD1-NE 2.63Å; D337-R339 PolarHBondContact OD1-NE 2.89Å; D337-R339 IonicContact OD1-NH2 3.69Å; D337-R339 IonicContact OD2-CZ 3.82Å; D337-R339 VanDerWaalsContact OD2-CZ 3.3Å; D337-R339 IonicContact OD2-NE 2.64Å; D337-R339 PolarHBondContact OD2-NE 3.29Å; D337-R339 VanDerWaalsContact OD2-NE 3.08Å; D337-R339 IonicContact OD2-NH2 3.5Å; D337-R339 PolarHBondContact OD2-NH2 3.23Å; R339-Q341 PolarHBondContact O-N 3.21Å
340P71.4Confident83.4Confident118 Ų11882.7 Ų82.777%0.76645%0.451SS*.PPolyproline II helixtrans-57133.3174.5-20.830.6000110.3S342P340-S342 PolarHBondContact O-N 3.45Å; P340-S342 VanDerWaalsContact O-N 3.13Å
341Q80.2Confident83.2Confident91 Ų9189.2 Ų89.243%0.42548%0.478SS..PPolyproline II helixtrans-59.2119.3175.1-170.6171.69.600109R339 S343 L361 D413R339-Q341 PolarHBondContact O-N 3.21Å; Q341-S343 WeakPolarHBondContact CG-O 3.02Å; Q341-S343 PolarHBondContact NE2-O 3.5Å; Q341-L361 HydrophobicContact CB-CD1 4.28Å; Q341-L361 HydrophobicContact CG-CD1 3.98Å; Q341-D413 PolarHBondContact NE2-OD1 3.27Å
342S87.8Confident83.1Confident87 Ų8790.1 Ų90.161%0.60849%0.488SS*.  trans-102.4-14.4-176.156.70000113.2P340 R360 L361P340-S342 PolarHBondContact O-N 3.45Å; P340-S342 VanDerWaalsContact O-N 3.13Å; S342-R360 WeakPolarHBondContact O-CA 3.4Å; S342-L361 PolarHBondContact O-N 2.98Å
343S92Very high83.2Confident50 Ų5092.9 Ų92.935%0.3549%0.491SS..EExtended strand (participates in β ladder)trans-144.3151.7174.758.80000111Q341 I359Q341-S343 WeakPolarHBondContact CG-O 3.02Å; Q341-S343 PolarHBondContact NE2-O 3.5Å; S343-I359 CarbonylContact C-O 3.59Å; S343-I359 WeakPolarHBondContact CA-O 3.24Å; S343-I359 VanDerWaalsContact CB-O 3.29Å; S343-I359 WeakPolarHBondContact CB-O 3.08Å
344A92.1Very high83.7Confident1 Ų191.3 Ų91.31%0.00849%0.487CS..EExtended strand (participates in β ladder)trans-131144.417300000110.8V346 S358 I359 L361 I411 D413A344-V346 HydrophobicContact CB-CG1 4.28Å; A344-S358 WeakPolarHBondContact O-CA 3.33Å; A344-I359 HydrophobicContact CB-CG1 4.41Å; A344-I359 PolarHBondContact N-O 3.07Å; A344-I359 WeakPolarHBondContact O-CG1 3.22Å; A344-I359 PolarHBondContact O-N 3.07Å; A344-L361 HydrophobicContact CB-CD1 4.31Å; A344-L361 HydrophobicContact CB-CD2 3.97Å; A344-L361 HydrophobicContact CB-CG 4.34Å; A344-I411 HydrophobicContact CB-CG2 4.01Å; A344-D413 WeakPolarHBondContact CA-OD1 3.14Å
345K93.9Very high84.5Confident115 Ų11591.9 Ų91.950%0.548%0.475SS..EExtended strand (participates in β ladder)trans-88118.4167.2-74.1-176.4173.6-168.60109.6M357 D413 G414K345-M357 WeakPolarHBondContact CA-O 3.12Å; K345-D413 PolarHBondContact N-OD1 3.11Å; K345-D413 CarbonylContact O-C 3.27Å; K345-D413 WeakPolarHBondContact O-CA 3.15Å; K345-G414 PolarHBondContact O-N 2.97Å
346V93.7Very high85.6Confident1 Ų190.8 Ų90.81%0.00646%0.46CS..EExtended strand (participates in β ladder)trans-124.3152.1-175.8-580000111A344 V348 E356 M357 I359 I411 D415 L417A344-V346 HydrophobicContact CB-CG1 4.28Å; V346-V348 HydrophobicContact CG2-CG2 4.38Å; V346-E356 WeakPolarHBondContact O-CA 3.5Å; V346-M357 HydrophobicContact CG2-CG 3.98Å; V346-M357 PolarHBondContact N-O 3Å; V346-M357 PolarHBondContact O-N 3.43Å; V346-I359 HydrophobicContact CG1-CD1 3.76Å; V346-I359 HydrophobicContact CG1-CG1 4.03Å; V346-I359 HydrophobicContact CG2-CD1 3.98Å; V346-I359 HydrophobicContact CG2-CG1 4.09Å; V346-I359 HydrophobicContact CG2-CG2 4.02Å; V346-I411 HydrophobicContact CG1-CG2 3.62Å; V346-D415 VanDerWaalsContact CA-O 3.31Å; V346-D415 WeakPolarHBondContact CA-O 3.32Å; V346-D415 WeakPolarHBondContact CB-O 3.4Å; V346-L417 HydrophobicContact CB-CD1 4.43Å; V346-L417 HydrophobicContact CG2-CD1 3.71Å; V346-L417 HydrophobicContact CG2-CG 4.27Å
347E93.9Very high86.9Confident63 Ų6387.6 Ų87.629%0.29444%0.439SS..EExtended strand (participates in β ladder)trans-89.9122.4169.6-63.7-179.6-177.300110H349 V354 D415 K416 L417E347-H349 IonicContact OE2-CE1 2.88Å; E347-H349 IonicContact OE2-NE2 3.16Å; E347-H349 PolarHBondContact OE2-NE2 2.81Å; E347-V354 HydrophobicContact CB-CG1 4.18Å; E347-D415 PolarHBondContact N-O 3.33Å; E347-K416 HydrophobicContact CB-CG 4.25Å; E347-K416 CarbonylContact O-C 3.56Å; E347-K416 WeakPolarHBondContact O-CA 3.41Å; E347-K416 VanDerWaalsContact OE2-CE 3.32Å; E347-K416 WeakPolarHBondContact OE2-CE 3.28Å; E347-L417 PolarHBondContact O-N 3.24Å
348V93.4Very high88.2Confident2 Ų286.6 Ų86.61%0.01244%0.439CS..EExtended strand (participates in β ladder)trans-97.2118173.8-179.10000109.5V346 V354 E355 M357 L372 V375 V376 L417 V419V346-V348 HydrophobicContact CG2-CG2 4.38Å; V348-V354 WeakPolarHBondContact O-CA 3.42Å; V348-E355 PolarHBondContact N-O 3Å; V348-E355 PolarHBondContact O-N 2.89Å; V348-M357 HydrophobicContact CG2-CG 3.72Å; V348-M357 HydrophobicContact CG2-SD 3.52Å; V348-M357 VanDerWaalsContact CG2-SD 3.52Å; V348-L372 HydrophobicContact CB-CD2 4.36Å; V348-L372 HydrophobicContact CG1-CD2 3.78Å; V348-L372 HydrophobicContact CG2-CD2 3.69Å; V348-V375 HydrophobicContact CG1-CG1 4.28Å; V348-V376 HydrophobicContact CG1-CG1 4.47Å; V348-L417 CarbonylContact C-O 3.57Å; V348-L417 WeakPolarHBondContact CA-O 3.4Å; V348-L417 HydrophobicContact CG2-CB 4.37Å; V348-L417 HydrophobicContact CG2-CD1 4.48Å; V348-V419 HydrophobicContact CG1-CG2 3.87Å
349H92.7Very high89.1Confident34 Ų3479.4 Ų79.416%0.15740%0.402CS..EExtended strand (participates in β ladder)trans-102.8119.5-179.9-70.2-111.1000109.7E347 L417 Y418 V419E347-H349 IonicContact OE2-CE1 2.88Å; E347-H349 IonicContact OE2-NE2 3.16Å; E347-H349 PolarHBondContact OE2-NE2 2.81Å; H349-L417 PolarHBondContact N-O 2.71Å; H349-Y418 HydrophobicContact CB-CD1 3.36Å; H349-Y418 HydrophobicContact CB-CE1 3.49Å; H349-Y418 VanDerWaalsContact CB-CE1 3.49Å; H349-Y418 HydrophobicContact CB-CG 4.11Å; H349-Y418 AromaticContact CG-CD1 3.97Å; H349-Y418 AromaticContact CG-CE1 3.56Å; H349-Y418 AromaticContact ND1-CE1 3.73Å; H349-Y418 WeakPolarHBondContact O-CA 3.44Å; H349-V419 PolarHBondContact O-N 3.17Å
350F91.1Very high90Very high22 Ų2276.7 Ų76.710%0.09639%0.391CS..EExtended strand (participates in β ladder)trans-140.3110.7175.1178.5-115.3000111D352 K353 V376 L378 V419F350-D352 PolarHBondContact O-N 3.24Å; F350-K353 PolarHBondContact N-O 3.01Å; F350-K353 WeakPolarHBondContact O-CB 3.36Å; F350-K353 PolarHBondContact O-N 2.95Å; F350-V376 HydrophobicContact CB-CB 4.26Å; F350-V376 HydrophobicContact CB-CG1 3.52Å; F350-V376 HydrophobicContact CD1-CB 3.67Å; F350-V376 HydrophobicContact CD1-CG1 3.9Å; F350-V376 HydrophobicContact CD2-CB 4.11Å; F350-V376 HydrophobicContact CD2-CG1 4.12Å; F350-V376 HydrophobicContact CE1-CB 3.98Å; F350-V376 VanDerWaalsContact CE1-O 3.25Å; F350-V376 WeakPolarHBondContact CE1-O 3.29Å; F350-V376 HydrophobicContact CE2-CB 4.43Å; F350-V376 HydrophobicContact CG-CB 3.74Å; F350-V376 HydrophobicContact CG-CG1 3.57Å; F350-V376 HydrophobicContact CZ-CB 4.35Å; F350-L378 HydrophobicContact CD2-CD1 4.36Å; F350-L378 HydrophobicContact CE2-CD1 3.39Å; F350-L378 HydrophobicContact CE2-CG 4.18Å; F350-L378 HydrophobicContact CZ-CD1 3.57Å; F350-L378 HydrophobicContact CZ-CD2 4.32Å; F350-L378 HydrophobicContact CZ-CG 3.83Å; F350-V419 HydrophobicContact CB-CB 4.34Å; F350-V419 HydrophobicContact CD2-CB 3.97Å; F350-V419 HydrophobicContact CD2-CG1 4.12Å; F350-V419 VanDerWaalsContact CD2-O 3.29Å; F350-V419 WeakPolarHBondContact CD2-O 3.29Å
351K86.6Confident91Very high166 Ų16671.4 Ų71.472%0.72236%0.357SS*.THydrogen-bonded Turntrans53.8-126.6-170.4-55179.1177.4-178.90109.7K353K351-K353 VanDerWaalsContact C-N 3.29Å; K351-K353 PolarHBondContact O-N 3.27Å
352D85.3Confident91.6Very high168 Ų16871.6 Ų71.690%0.89836%0.361SS*.THydrogen-bonded Turntrans-88.39.8177.8-50.3-52000113.3F350F350-D352 PolarHBondContact O-N 3.24Å
353K87Confident91.9Very high141 Ų14167.6 Ų67.661%0.61333%0.332SS*.EExtended strand (participates in β ladder)trans-103.8134.6179.5-61.5-171180-173.90111.2F350 K351F350-K353 PolarHBondContact N-O 3.01Å; F350-K353 WeakPolarHBondContact O-CB 3.36Å; F350-K353 PolarHBondContact O-N 2.95Å; K351-K353 VanDerWaalsContact C-N 3.29Å; K351-K353 PolarHBondContact O-N 3.27Å
354V91.2Very high92.1Very high88 Ų8867 Ų6753%0.53333%0.326SS..EExtended strand (participates in β ladder)trans-121.9127169.9-173.90000107.7E347 V348E347-V354 HydrophobicContact CB-CG1 4.18Å; V348-V354 WeakPolarHBondContact O-CA 3.42Å
355E91.3Very high92.2Very high95 Ų9566.9 Ų66.944%0.44433%0.326SS..EExtended strand (participates in β ladder)trans-129.9127.7177.7-171.2173.3153.900109.8V348 V375V348-E355 PolarHBondContact N-O 3Å; V348-E355 PolarHBondContact O-N 2.89Å; E355-V375 HydrophobicContact CB-CG1 4.09Å; E355-V375 HydrophobicContact CG-CG1 4.44Å; E355-V375 WeakPolarHBondContact OE2-CG1 3.16Å
356E93.3Very high92.2Very high128 Ų12863 Ų6360%0.59832%0.315SS*.EExtended strand (participates in β ladder)trans-83.4129.4174.2-168.1-175.3128.900109.4V346V346-E356 WeakPolarHBondContact O-CA 3.5Å
357M92.6Very high92.2Very high32 Ų3266.7 Ų66.716%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-139.9148.8176.971.5174.6-5700112.3K345 V346 V348 I359 Q371 L372K345-M357 WeakPolarHBondContact CA-O 3.12Å; V346-M357 HydrophobicContact CG2-CG 3.98Å; V346-M357 PolarHBondContact N-O 3Å; V346-M357 PolarHBondContact O-N 3.43Å; V348-M357 HydrophobicContact CG2-CG 3.72Å; V348-M357 HydrophobicContact CG2-SD 3.52Å; V348-M357 VanDerWaalsContact CG2-SD 3.52Å; M357-I359 HydrophobicContact CE-CG2 3.78Å; M357-I359 HydrophobicContact CG-CG2 3.95Å; M357-I359 HydrophobicContact SD-CG2 3.95Å; M357-Q371 HydrophobicContact CE-CB 4.4Å; M357-L372 HydrophobicContact SD-CD2 3.49Å; M357-L372 WeakPolarHBondContact SD-CD2 3.38Å
358S93.9Very high92.3Very high75 Ų7563.7 Ų63.752%0.52432%0.318SS..EExtended strand (participates in β ladder)trans-88.7124.9170-1760000109.9A344A344-S358 WeakPolarHBondContact O-CA 3.33Å
359I93.6Very high92.2Very high1 Ų164.1 Ų64.11%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-114.7144.3178.359.4167.4000110.1S343 A344 V346 M357 L361 L368 L406 I411 L417S343-I359 CarbonylContact C-O 3.59Å; S343-I359 WeakPolarHBondContact CA-O 3.24Å; S343-I359 VanDerWaalsContact CB-O 3.29Å; S343-I359 WeakPolarHBondContact CB-O 3.08Å; A344-I359 HydrophobicContact CB-CG1 4.41Å; A344-I359 PolarHBondContact N-O 3.07Å; A344-I359 WeakPolarHBondContact O-CG1 3.22Å; A344-I359 PolarHBondContact O-N 3.07Å; V346-I359 HydrophobicContact CG1-CD1 3.76Å; V346-I359 HydrophobicContact CG1-CG1 4.03Å; V346-I359 HydrophobicContact CG2-CD1 3.98Å; V346-I359 HydrophobicContact CG2-CG1 4.09Å; V346-I359 HydrophobicContact CG2-CG2 4.02Å; M357-I359 HydrophobicContact CE-CG2 3.78Å; M357-I359 HydrophobicContact CG-CG2 3.95Å; M357-I359 HydrophobicContact SD-CG2 3.95Å; I359-L361 HydrophobicContact CD1-CD2 4.41Å; I359-L368 HydrophobicContact CB-CD1 4.43Å; I359-L368 HydrophobicContact CG2-CD1 3.66Å; I359-L406 HydrophobicContact CD1-CD1 3.88Å; I359-I411 HydrophobicContact CD1-CD1 4.32Å; I359-I411 HydrophobicContact CD1-CG2 4.24Å; I359-L417 HydrophobicContact CD1-CD1 4.34Å
360R93.6Very high92.2Very high132 Ų13269.3 Ų69.350%0.49834%0.342SS..EExtended strand (participates in β ladder)trans-81.5138169.8-56-171.3-61.41526.8109.6S342 D362 Q363S342-R360 WeakPolarHBondContact O-CA 3.4Å; R360-D362 WeakPolarHBondContact CB-OD1 3.19Å; R360-D362 IonicContact CZ-OD1 3.01Å; R360-D362 IonicContact NE-OD1 2.63Å; R360-D362 IonicContact NH1-OD1 3.75Å; R360-D362 IonicContact NH1-OD2 3.54Å; R360-D362 PolarHBondContact NH1-OD2 3.22Å; R360-Q363 VanDerWaalsContact O-CG 3.24Å; R360-Q363 WeakPolarHBondContact O-CG 3.27Å; R360-Q363 PolarHBondContact O-NE2 3.17Å
361L92.9Very high92.2Very high8 Ų871.6 Ų71.64%0.04235%0.353CS..SBendtrans-85.4-13.3-178.1-62.5-179.3000112.9Q341 S342 A344 I359 L406 H407 I411Q341-L361 HydrophobicContact CB-CD1 4.28Å; Q341-L361 HydrophobicContact CG-CD1 3.98Å; S342-L361 PolarHBondContact O-N 2.98Å; A344-L361 HydrophobicContact CB-CD1 4.31Å; A344-L361 HydrophobicContact CB-CD2 3.97Å; A344-L361 HydrophobicContact CB-CG 4.34Å; I359-L361 HydrophobicContact CD1-CD2 4.41Å; L361-L406 HydrophobicContact CD2-CB 4.38Å; L361-L406 PolarHBondContact O-N 3.21Å; L361-H407 HydrophobicContact CB-CB 4.16Å; L361-H407 WeakPolarHBondContact O-CB 3.31Å; L361-H407 PolarHBondContact O-N 2.83Å; L361-H407 PolarHBondContact O-ND1 2.64Å; L361-H407 VanDerWaalsContact O-ND1 3.09Å; L361-I411 HydrophobicContact CD2-CB 3.89Å; L361-I411 HydrophobicContact CD2-CD1 4.47Å; L361-I411 HydrophobicContact CD2-CG2 4.23Å
362D91.3Very high92.5Very high95 Ų9563.7 Ų63.751%0.50832%0.318SS..SBendtrans-77.5-19174.968.7-20000113.5R360R360-D362 WeakPolarHBondContact CB-OD1 3.19Å; R360-D362 IonicContact CZ-OD1 3.01Å; R360-D362 IonicContact NE-OD1 2.63Å; R360-D362 IonicContact NH1-OD1 3.75Å; R360-D362 IonicContact NH1-OD2 3.54Å; R360-D362 PolarHBondContact NH1-OD2 3.22Å
363Q93.9Very high92.7Very high3 Ų361.4 Ų61.41%0.01430%0.301CS..SBendtrans-74.9163.9-178.282.3-170.1-23.300112.6R360 E367 Q371 A405 L406R360-Q363 VanDerWaalsContact O-CG 3.24Å; R360-Q363 WeakPolarHBondContact O-CG 3.27Å; R360-Q363 PolarHBondContact O-NE2 3.17Å; Q363-E367 WeakPolarHBondContact CA-OE2 3.5Å; Q363-E367 HydrophobicContact CB-CB 4.14Å; Q363-E367 HydrophobicContact CG-CB 4.44Å; Q363-Q371 VanDerWaalsContact OE1-OE1 3.12Å; Q363-A405 CarbonylContact O-C 3.23Å; Q363-A405 WeakPolarHBondContact O-CA 3.46Å; Q363-L406 HydrophobicContact CG-CD1 3.61Å; Q363-L406 HydrophobicContact CG-CG 3.94Å; Q363-L406 WeakPolarHBondContact O-CG 3.48Å; Q363-L406 PolarHBondContact O-N 3.05Å
364T96.1Very high92.5Very high36 Ų3660.5 Ų60.522%0.22131%0.307CS..BIsolated β-bridgetrans-88.5160.3175.760.20000112.4A366 E367 L368 R404T364-A366 PolarHBondContact O-N 3.08Å; T364-E367 PolarHBondContact N-OE2 3.24Å; T364-E367 PolarHBondContact O-N 3.28Å; T364-E367 VanDerWaalsContact OG1-CD 3.27Å; T364-E367 WeakPolarHBondContact OG1-CG 3.29Å; T364-E367 PolarHBondContact OG1-N 3.45Å; T364-E367 PolarHBondContact OG1-OE2 3.18Å; T364-L368 PolarHBondContact O-N 3.37Å; T364-R404 WeakPolarHBondContact CA-O 3.28Å
365V94.6Very high92.1Very high0 Ų057.5 Ų57.50%029%0.289CS..Hα-helixtrans-55.1-35.1171.71750000111.9L368 K369 L385 M399 R404 L406 Y409V365-L368 PolarHBondContact O-N 2.9Å; V365-K369 HydrophobicContact CG1-CD 4.4Å; V365-K369 WeakPolarHBondContact O-CG 3.18Å; V365-K369 PolarHBondContact O-N 3.47Å; V365-L385 HydrophobicContact CG1-CD2 4.3Å; V365-M399 HydrophobicContact CG1-CB 4.06Å; V365-M399 HydrophobicContact CG2-CB 4.12Å; V365-M399 HydrophobicContact CG2-CE 3.78Å; V365-R404 PolarHBondContact N-O 3.04Å; V365-L406 HydrophobicContact CG2-CD2 3.98Å; V365-Y409 HydrophobicContact CG2-CE2 3.87Å
366A93.7Very high91.8Very high32 Ų3253.2 Ų53.226%0.26427%0.269SS..Hα-helixtrans-63.7-41.417600000112.9T364 K369 K370 N402T364-A366 PolarHBondContact O-N 3.08Å; A366-K369 PolarHBondContact O-N 2.58Å; A366-K370 WeakPolarHBondContact O-CG 3.2Å; A366-K370 PolarHBondContact O-N 3.31Å; A366-K370 VanDerWaalsContact O-N 3.12Å; A366-N402 HydrophobicContact CB-CB 4.12Å; A366-N402 WeakPolarHBondContact CB-O 3.35Å; A366-N402 PolarHBondContact N-O 2.86Å
367E94.9Very high91.4Very high80 Ų8055.1 Ų55.137%0.37428%0.278SS..Hα-helixtrans-70.6-40.1178.3-71161.5150.200111.2Q363 T364 K369 K370 Q371Q363-E367 WeakPolarHBondContact CA-OE2 3.5Å; Q363-E367 HydrophobicContact CB-CB 4.14Å; Q363-E367 HydrophobicContact CG-CB 4.44Å; T364-E367 PolarHBondContact N-OE2 3.24Å; T364-E367 PolarHBondContact O-N 3.28Å; T364-E367 VanDerWaalsContact OG1-CD 3.27Å; T364-E367 WeakPolarHBondContact OG1-CG 3.29Å; T364-E367 PolarHBondContact OG1-N 3.45Å; T364-E367 PolarHBondContact OG1-OE2 3.18Å; E367-K369 PolarHBondContact O-N 3.41Å; E367-K370 WeakPolarHBondContact O-CB 3.28Å; E367-K370 PolarHBondContact O-N 3.28Å; E367-K370 VanDerWaalsContact O-N 3.11Å; E367-Q371 PolarHBondContact O-N 3.12Å
368L94.6Very high91Very high0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-58.7-47171.3179.560.2000111.4I359 T364 V365 K370 Q371 L372 L385 L406 L417I359-L368 HydrophobicContact CB-CD1 4.43Å; I359-L368 HydrophobicContact CG2-CD1 3.66Å; T364-L368 PolarHBondContact O-N 3.37Å; V365-L368 PolarHBondContact O-N 2.9Å; L368-K370 PolarHBondContact O-N 2.83Å; L368-Q371 WeakPolarHBondContact O-CA 3.31Å; L368-Q371 WeakPolarHBondContact O-CB 3.48Å; L368-Q371 PolarHBondContact O-N 2.97Å; L368-L372 HydrophobicContact CD1-CD1 4.29Å; L368-L372 HydrophobicContact CD1-CG 4.15Å; L368-L372 HydrophobicContact CG-CD1 4Å; L368-L372 HydrophobicContact CG-CG 4.29Å; L368-L372 WeakPolarHBondContact O-CG 3.25Å; L368-L372 PolarHBondContact O-N 3.41Å; L368-L385 HydrophobicContact CD2-CD2 3.63Å; L368-L385 HydrophobicContact CG-CD2 4.27Å; L368-L406 HydrophobicContact CB-CD1 4.14Å; L368-L406 HydrophobicContact CD1-CD1 4.44Å; L368-L406 HydrophobicContact CD2-CD1 3.74Å; L368-L406 HydrophobicContact CD2-CD2 3.89Å; L368-L406 HydrophobicContact CD2-CG 4.48Å; L368-L406 HydrophobicContact CG-CD1 4.33Å; L368-L417 HydrophobicContact CD1-CD1 4.5Å; L368-L417 HydrophobicContact CD2-CD1 3.89Å
369K93.1Very high90.7Very high11 Ų1154 Ų545%0.04827%0.27CS..Hα-helixtrans-58.5-35.1175-75.3178.5-178.41770112.6V365 A366 E367 K373 T380 M383 N402V365-K369 HydrophobicContact CG1-CD 4.4Å; V365-K369 WeakPolarHBondContact O-CG 3.18Å; V365-K369 PolarHBondContact O-N 3.47Å; A366-K369 PolarHBondContact O-N 2.58Å; E367-K369 PolarHBondContact O-N 3.41Å; K369-K373 PolarHBondContact O-N 2.77Å; K369-T380 HydrophobicContact CB-CG2 4.18Å; K369-M383 HydrophobicContact CB-SD 4.06Å; K369-M383 HydrophobicContact CD-CB 4.39Å; K369-M383 HydrophobicContact CG-CB 4.48Å; K369-M383 HydrophobicContact CG-SD 4.21Å; K369-M383 PolarHBondContact NZ-O 3.45Å; K369-N402 PolarHBondContact NZ-OD1 3.47Å; K369-N402 VanDerWaalsContact NZ-OD1 3.1Å
370K92.4Very high90.3Very high142 Ų14257 Ų5762%0.61729%0.289SS*.Hα-helixtrans-66-40.9174.1-71.2173.7-176.3174.40111.4A366 E367 L368 K373 T380A366-K370 WeakPolarHBondContact O-CG 3.2Å; A366-K370 PolarHBondContact O-N 3.31Å; A366-K370 VanDerWaalsContact O-N 3.12Å; E367-K370 WeakPolarHBondContact O-CB 3.28Å; E367-K370 PolarHBondContact O-N 3.28Å; E367-K370 VanDerWaalsContact O-N 3.11Å; L368-K370 PolarHBondContact O-N 2.83Å; K370-K373 VanDerWaalsContact O-CB 3.28Å; K370-K373 WeakPolarHBondContact O-CB 3.27Å; K370-K373 PolarHBondContact O-N 3.41Å; K370-T380 HydrophobicContact CG-CG2 4.13Å
371Q91.1Very high89.8Confident70 Ų7054 Ų5433%0.32729%0.289SS..Hα-helixtrans-64.6-45.8174.9-70174.2-12.700111.3M357 Q363 E367 L368 K373 T374M357-Q371 HydrophobicContact CE-CB 4.4Å; Q363-Q371 VanDerWaalsContact OE1-OE1 3.12Å; E367-Q371 PolarHBondContact O-N 3.12Å; L368-Q371 WeakPolarHBondContact O-CA 3.31Å; L368-Q371 WeakPolarHBondContact O-CB 3.48Å; L368-Q371 PolarHBondContact O-N 2.97Å; Q371-K373 PolarHBondContact O-N 2.78Å; Q371-K373 VanDerWaalsContact O-N 3.08Å; Q371-T374 PolarHBondContact O-N 3.11Å; Q371-T374 PolarHBondContact O-OG1 2.69Å
372L91.7Very high89.5Confident0 Ų057 Ų570%030%0.304CS..Hα-helixtrans-63.4-18179.9-66.9176.5000113.6V348 M357 L368 T374 V375 V376 M383 L385 V419V348-L372 HydrophobicContact CB-CD2 4.36Å; V348-L372 HydrophobicContact CG1-CD2 3.78Å; V348-L372 HydrophobicContact CG2-CD2 3.69Å; M357-L372 HydrophobicContact SD-CD2 3.49Å; M357-L372 WeakPolarHBondContact SD-CD2 3.38Å; L368-L372 HydrophobicContact CD1-CD1 4.29Å; L368-L372 HydrophobicContact CD1-CG 4.15Å; L368-L372 HydrophobicContact CG-CD1 4Å; L368-L372 HydrophobicContact CG-CG 4.29Å; L368-L372 WeakPolarHBondContact O-CG 3.25Å; L368-L372 PolarHBondContact O-N 3.41Å; L372-T374 PolarHBondContact O-N 2.75Å; L372-V375 WeakPolarHBondContact O-CB 3.28Å; L372-V375 PolarHBondContact O-N 2.69Å; L372-V376 VanDerWaalsContact O-CG2 3.29Å; L372-V376 WeakPolarHBondContact O-CG2 3.44Å; L372-V376 PolarHBondContact O-N 3.02Å; L372-M383 HydrophobicContact CB-SD 4.41Å; L372-L385 HydrophobicContact CD1-CD1 3.67Å; L372-L385 HydrophobicContact CD1-CD2 4.35Å; L372-V419 HydrophobicContact CD1-CG2 4Å
373K89.9Confident89.4Confident120 Ų12052.5 Ų52.552%0.52228%0.28SS..Hα-helixtrans-55.1-37.5177.1-177.2173.1-178.6-170.40112.7K369 K370 Q371 V375 Q377 L378 M383K369-K373 PolarHBondContact O-N 2.77Å; K370-K373 VanDerWaalsContact O-CB 3.28Å; K370-K373 WeakPolarHBondContact O-CB 3.27Å; K370-K373 PolarHBondContact O-N 3.41Å; Q371-K373 PolarHBondContact O-N 2.78Å; Q371-K373 VanDerWaalsContact O-N 3.08Å; K373-V375 VanDerWaalsContact C-N 3.32Å; K373-Q377 WeakPolarHBondContact O-CA 3.27Å; K373-Q377 PolarHBondContact O-N 2.61Å; K373-Q377 VanDerWaalsContact O-N 3.11Å; K373-L378 WeakPolarHBondContact CG-O 3.49Å; K373-M383 HydrophobicContact CB-CE 4.13Å
374T82.9Confident89.3Confident123 Ų12354 Ų5476%0.75529%0.288SS*.Hα-helixtrans-72.9-29.2178.653.20000112.2Q371 L372Q371-T374 PolarHBondContact O-N 3.11Å; Q371-T374 PolarHBondContact O-OG1 2.69Å; L372-T374 PolarHBondContact O-N 2.75Å
375V82.9Confident89.1Confident24 Ų2452.4 Ų52.415%0.14528%0.278CS..Hα-helixtrans-79.6-52-178.9175.70000111.2V348 E355 L372 K373V348-V375 HydrophobicContact CG1-CG1 4.28Å; E355-V375 HydrophobicContact CB-CG1 4.09Å; E355-V375 HydrophobicContact CG-CG1 4.44Å; E355-V375 WeakPolarHBondContact OE2-CG1 3.16Å; L372-V375 WeakPolarHBondContact O-CB 3.28Å; L372-V375 PolarHBondContact O-N 2.69Å; K373-V375 VanDerWaalsContact C-N 3.32Å
376V85.2Confident89Confident6 Ų654.2 Ų54.24%0.03629%0.286CS..Hα-helixtrans-99-6.8-171-55.10000114.8V348 F350 L372 L378 M383 V419V348-V376 HydrophobicContact CG1-CG1 4.47Å; F350-V376 HydrophobicContact CB-CB 4.26Å; F350-V376 HydrophobicContact CB-CG1 3.52Å; F350-V376 HydrophobicContact CD1-CB 3.67Å; F350-V376 HydrophobicContact CD1-CG1 3.9Å; F350-V376 HydrophobicContact CD2-CB 4.11Å; F350-V376 HydrophobicContact CD2-CG1 4.12Å; F350-V376 HydrophobicContact CE1-CB 3.98Å; F350-V376 VanDerWaalsContact CE1-O 3.25Å; F350-V376 WeakPolarHBondContact CE1-O 3.29Å; F350-V376 HydrophobicContact CE2-CB 4.43Å; F350-V376 HydrophobicContact CG-CB 3.74Å; F350-V376 HydrophobicContact CG-CG1 3.57Å; F350-V376 HydrophobicContact CZ-CB 4.35Å; L372-V376 VanDerWaalsContact O-CG2 3.29Å; L372-V376 WeakPolarHBondContact O-CG2 3.44Å; L372-V376 PolarHBondContact O-N 3.02Å; V376-L378 HydrophobicContact CG2-CB 3.93Å; V376-L378 HydrophobicContact CG2-CD1 4.3Å; V376-L378 HydrophobicContact CG2-CG 4.19Å; V376-L378 PolarHBondContact O-N 2.84Å; V376-L378 VanDerWaalsContact O-N 3.11Å; V376-M383 HydrophobicContact CG2-CE 3.71Å; V376-M383 HydrophobicContact CG2-SD 4.32Å; V376-V419 HydrophobicContact CB-CG1 4.47Å; V376-V419 HydrophobicContact CG1-CB 4.11Å; V376-V419 HydrophobicContact CG1-CG1 4.18Å; V376-V419 HydrophobicContact CG1-CG2 4.07Å; V376-V419 HydrophobicContact CG2-CG1 4.09Å
377Q84.3Confident88.9Confident167 Ų16753.2 Ų53.278%0.7828%0.276SS*.  trans5426.9-178.2-56.6-177.67.700114.8K373K373-Q377 WeakPolarHBondContact O-CA 3.27Å; K373-Q377 PolarHBondContact O-N 2.61Å; K373-Q377 VanDerWaalsContact O-N 3.11Å
378L85.3Confident88.6Confident37 Ų3751.3 Ų51.319%0.19427%0.268CS..  trans-100.7157.5174.3-69.4178000111.6F350 K373 V376 M383 V419 P421F350-L378 HydrophobicContact CD2-CD1 4.36Å; F350-L378 HydrophobicContact CE2-CD1 3.39Å; F350-L378 HydrophobicContact CE2-CG 4.18Å; F350-L378 HydrophobicContact CZ-CD1 3.57Å; F350-L378 HydrophobicContact CZ-CD2 4.32Å; F350-L378 HydrophobicContact CZ-CG 3.83Å; K373-L378 WeakPolarHBondContact CG-O 3.49Å; V376-L378 HydrophobicContact CG2-CB 3.93Å; V376-L378 HydrophobicContact CG2-CD1 4.3Å; V376-L378 HydrophobicContact CG2-CG 4.19Å; V376-L378 PolarHBondContact O-N 2.84Å; V376-L378 VanDerWaalsContact O-N 3.11Å; L378-M383 HydrophobicContact CB-CE 3.88Å; L378-M383 HydrophobicContact CB-CG 4Å; L378-M383 HydrophobicContact CD1-CG 4.4Å; L378-M383 WeakPolarHBondContact O-CE 3.48Å; L378-V419 HydrophobicContact CD1-CG1 4.44Å; L378-P421 HydrophobicContact CD1-CB 4.23Å
379S86.1Confident88Confident47 Ų4753.6 Ų53.633%0.32928%0.28SS..  trans-74146166.168.20000110.3S381 N382 M383S379-S381 PolarHBondContact O-N 3.3Å; S379-S381 VanDerWaalsContact O-N 3.14Å; S379-S381 PolarHBondContact OG-OG 3.15Å; S379-N382 PolarHBondContact O-N 3.49Å; S379-N382 PolarHBondContact OG-ND2 3.19Å; S379-M383 WeakPolarHBondContact O-CG 3.3Å
380T85.6Confident86.9Confident63 Ų6359.3 Ų59.339%0.38731%0.307SS..G310 helixtrans-57.1-31.1179.951.50000113.2K369 K370 N382K369-T380 HydrophobicContact CB-CG2 4.18Å; K370-T380 HydrophobicContact CG-CG2 4.13Å; T380-N382 VanDerWaalsContact C-N 3.26Å; T380-N382 PolarHBondContact O-N 3.23Å
381S83.7Confident85.6Confident71 Ų7159.4 Ų59.450%0.49731%0.309SS..G310 helixtrans-67.8-23.6176.761.80000113.8S379 R422S379-S381 PolarHBondContact O-N 3.3Å; S379-S381 VanDerWaalsContact O-N 3.14Å; S379-S381 PolarHBondContact OG-OG 3.15Å; S381-R422 WeakPolarHBondContact O-CD 3.39Å
382N85.6Confident84.3Confident69 Ų6957.8 Ų57.837%0.36931%0.308SS..G310 helixtrans-104.87.4-174.4-63.81.6000112.1S379 T380 P421 R422S379-N382 PolarHBondContact O-N 3.49Å; S379-N382 PolarHBondContact OG-ND2 3.19Å; T380-N382 VanDerWaalsContact C-N 3.26Å; T380-N382 PolarHBondContact O-N 3.23Å; N382-P421 CarbonylContact O-C 3.42Å; N382-P421 WeakPolarHBondContact O-CA 3.36Å; N382-R422 PolarHBondContact O-N 3.06Å
383M90Very high82.8Confident2 Ų263.4 Ų63.41%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-96117.3177.8-64.6173.2-165.700111K369 L372 K373 V376 L378 S379 V419K369-M383 HydrophobicContact CB-SD 4.06Å; K369-M383 HydrophobicContact CD-CB 4.39Å; K369-M383 HydrophobicContact CG-CB 4.48Å; K369-M383 HydrophobicContact CG-SD 4.21Å; K369-M383 PolarHBondContact NZ-O 3.45Å; L372-M383 HydrophobicContact CB-SD 4.41Å; K373-M383 HydrophobicContact CB-CE 4.13Å; V376-M383 HydrophobicContact CG2-CE 3.71Å; V376-M383 HydrophobicContact CG2-SD 4.32Å; L378-M383 HydrophobicContact CB-CE 3.88Å; L378-M383 HydrophobicContact CB-CG 4Å; L378-M383 HydrophobicContact CD1-CG 4.4Å; L378-M383 WeakPolarHBondContact O-CE 3.48Å; S379-M383 WeakPolarHBondContact O-CG 3.3Å; M383-V419 HydrophobicContact CB-CG1 4.31Å; M383-V419 HydrophobicContact CG-CG1 4.15Å
384L90.8Very high81.5Confident35 Ų3565.7 Ų65.718%0.18336%0.355CS..EExtended strand (participates in β ladder)trans-86.2132.6154.1-61.6175.4000107.4F386 V419 E420 R422L384-F386 HydrophobicContact CB-CE2 3.77Å; L384-F386 HydrophobicContact CB-CZ 4.28Å; L384-V419 WeakPolarHBondContact O-CA 3.47Å; L384-E420 HydrophobicContact CB-CB 4.24Å; L384-E420 PolarHBondContact N-O 2.81Å; L384-E420 PolarHBondContact O-N 3.16Å; L384-R422 HydrophobicContact CD1-CG 4.17Å; L384-R422 HydrophobicContact CD2-CG 3.64Å; L384-R422 HydrophobicContact CG-CG 3.58Å
385L92.9Very high81.1Confident1 Ų162.6 Ų62.61%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-123.5126.8-177.8-175.569000107.5V365 L368 L372 M399 L417 Y418 V419V365-L385 HydrophobicContact CG1-CD2 4.3Å; L368-L385 HydrophobicContact CD2-CD2 3.63Å; L368-L385 HydrophobicContact CG-CD2 4.27Å; L372-L385 HydrophobicContact CD1-CD1 3.67Å; L372-L385 HydrophobicContact CD1-CD2 4.35Å; L385-M399 HydrophobicContact CB-CB 4.32Å; L385-M399 HydrophobicContact CD2-CB 4.3Å; L385-M399 HydrophobicContact CD2-CE 4.41Å; L385-M399 HydrophobicContact CD2-CG 4.4Å; L385-M399 HydrophobicContact CD2-SD 3.34Å; L385-M399 WeakPolarHBondContact CD2-SD 3.35Å; L385-M399 HydrophobicContact CG-CB 4.39Å; L385-M399 HydrophobicContact CG-CG 4.35Å; L385-M399 HydrophobicContact CG-SD 3.61Å; L385-M399 PolarHBondContact O-N 3.39Å; L385-L417 HydrophobicContact CD1-CB 4.27Å; L385-Y418 CarbonylContact C-O 3.48Å; L385-Y418 WeakPolarHBondContact CA-O 3.34Å; L385-V419 HydrophobicContact CD1-CG2 3.79Å
386F92.4Very high81.1Confident38 Ų3865 Ų6517%0.16736%0.363CS..EExtended strand (participates in β ladder)trans-121136.8176.9-55.8-96.9000110L384 P396 E397 E398 L417 Y418 E420L384-F386 HydrophobicContact CB-CE2 3.77Å; L384-F386 HydrophobicContact CB-CZ 4.28Å; F386-P396 HydrophobicContact CB-CB 3.86Å; F386-P396 HydrophobicContact CD1-CB 4.48Å; F386-P396 HydrophobicContact CG-CB 4.5Å; F386-E397 CarbonylContact C-O 3.52Å; F386-E397 VanDerWaalsContact CA-O 3.26Å; F386-E397 WeakPolarHBondContact CA-O 3.15Å; F386-E398 HydrophobicContact CD1-CB 3.66Å; F386-E398 HydrophobicContact CD1-CG 4.07Å; F386-E398 HydrophobicContact CE1-CB 3.59Å; F386-E398 HydrophobicContact CE1-CG 3.76Å; F386-E398 HydrophobicContact CZ-CG 4.22Å; F386-L417 CarbonylContact O-C 3.53Å; F386-L417 WeakPolarHBondContact O-CA 3.28Å; F386-Y418 PolarHBondContact N-O 3.28Å; F386-Y418 PolarHBondContact O-N 2.65Å; F386-E420 HydrophobicContact CD2-CG 4.45Å; F386-E420 HydrophobicContact CE2-CB 4.29Å; F386-E420 HydrophobicContact CE2-CG 4.14Å
387Y92.2Very high81.3Confident11 Ų1168.7 Ų68.74%0.04338%0.38CS..EExtended strand (participates in β ladder)trans-102.4133.2175.2166.1-116.8000109.5D389 P396 E397 Y409 I411 D415 L417Y387-D389 HydrophobicContact CE1-CB 4.19Å; Y387-P396 CarbonylContact O-C 3.45Å; Y387-P396 WeakPolarHBondContact O-CA 3.27Å; Y387-E397 PolarHBondContact N-O 3.03Å; Y387-E397 PolarHBondContact O-N 2.98Å; Y387-Y409 HydrophobicContact CD1-CD1 4.43Å; Y387-Y409 VanDerWaalsContact CE1-O 3.31Å; Y387-Y409 WeakPolarHBondContact CE1-O 3.42Å; Y387-I411 HydrophobicContact CD2-CG1 3.84Å; Y387-I411 HydrophobicContact CE1-CG1 4.46Å; Y387-I411 HydrophobicContact CE2-CB 4.16Å; Y387-I411 HydrophobicContact CE2-CG1 3.54Å; Y387-I411 HydrophobicContact CE2-CG2 4.22Å; Y387-I411 HydrophobicContact CG-CG1 4.43Å; Y387-D415 HydrophobicContact CE2-CB 3.72Å; Y387-D415 VanDerWaalsContact CE2-OD2 3.29Å; Y387-D415 WeakPolarHBondContact CE2-OD2 3.3Å; Y387-D415 PolarHBondContact OH-OD2 3.08Å; Y387-L417 HydrophobicContact CD2-CD2 4.12Å
388L87.7Confident81.7Confident40 Ų4063.6 Ų63.621%0.20936%0.356CS..EExtended strand (participates in β ladder)trans-125.7115.6172.5-174.672.3000108.7P396 K416 Y418L388-P396 HydrophobicContact CD1-CB 4.43Å; L388-K416 HydrophobicContact CB-CB 4.32Å; L388-K416 PolarHBondContact N-O 3.03Å; L388-K416 PolarHBondContact O-N 3.34Å; L388-Y418 HydrophobicContact CB-CD2 4.34Å; L388-Y418 HydrophobicContact CB-CE2 3.9Å; L388-Y418 HydrophobicContact CD2-CE2 3.86Å
389D81.7Confident82.1Confident49 Ų4961.9 Ų61.926%0.26235%0.347SS..  trans-67131.2171.2178.5-12.3000109.3Y387 E391 A392Y387-D389 HydrophobicContact CE1-CB 4.19Å; D389-E391 PolarHBondContact O-N 3.24Å; D389-E391 PolarHBondContact OD1-N 2.78Å; D389-A392 HydrophobicContact CB-CB 3.71Å
390H69.9Low82.2Confident131 Ų13165.8 Ų65.861%0.60636%0.358SS*.SBendtrans-59.9-25.4178-177.7-72.7000113D415H390-D415 WeakPolarHBondContact CB-OD1 3.45Å; H390-D415 PolarHBondContact N-OD1 3.38Å
391E66.6Low82.5Confident143 Ų14370.1 Ų70.167%0.66837%0.369SS*.SBendtrans-109.6-9.7-173.7-62.6-172.6147.900114.6D389 R412D389-E391 PolarHBondContact O-N 3.24Å; D389-E391 PolarHBondContact OD1-N 2.78Å; E391-R412 IonicContact OE2-NH1 3.33Å; E391-R412 PolarHBondContact OE2-NH1 3.31Å; E391-R412 VanDerWaalsContact OE2-NH1 3.16Å
392A63Low82.9Confident37 Ų3770.7 Ų70.731%0.30637%0.367SS..  trans-87.3138.8-173.600000113.8D389 F394D389-A392 HydrophobicContact CB-CB 3.71Å; A392-F394 PolarHBondContact O-N 3.32Å
393P60.8Low83.3Confident118 Ų11872.4 Ų72.477%0.76638%0.384SS*.SBendtrans-78.10.6175.431.6-34.5000113.8
394F63Low83.4Confident167 Ų16776.1 Ų76.173%0.73240%0.398SS*.SBendtrans-98.4135.5-178.3-58.2-77.3000109.3A392A392-F394 PolarHBondContact O-N 3.32Å
395G72.8Confident83.5Confident58 Ų5875.6 Ų75.660%0.59840%0.398SS*.  trans-61.1175.9-179.100000113.7E397G395-E397 PolarHBondContact O-N 2.96Å
396P83.8Confident83.5Confident74 Ų7475.5 Ų75.548%0.48140%0.398SS..PPolyproline II helixtrans-55.9128.7-171.317.4-28.8000113.8F386 Y387 L388F386-P396 HydrophobicContact CB-CB 3.86Å; F386-P396 HydrophobicContact CD1-CB 4.48Å; F386-P396 HydrophobicContact CG-CB 4.5Å; Y387-P396 CarbonylContact O-C 3.45Å; Y387-P396 WeakPolarHBondContact O-CA 3.27Å; L388-P396 HydrophobicContact CD1-CB 4.43Å
397E89.9Confident83.4Confident85 Ų8579.3 Ų79.340%0.39742%0.416SS..EExtended strand (participates in β ladder)trans-84.7122.6174.5-176.5-174.3168.100110.4F386 Y387 G395 M399 R404 Y409F386-E397 CarbonylContact C-O 3.52Å; F386-E397 VanDerWaalsContact CA-O 3.26Å; F386-E397 WeakPolarHBondContact CA-O 3.15Å; Y387-E397 PolarHBondContact N-O 3.03Å; Y387-E397 PolarHBondContact O-N 2.98Å; G395-E397 PolarHBondContact O-N 2.96Å; E397-M399 PolarHBondContact O-N 2.79Å; E397-R404 IonicContact OE1-NH1 3.85Å; E397-R404 PolarHBondContact OE1-NH1 3.2Å; E397-Y409 WeakPolarHBondContact OE1-CE1 3.36Å
398E91.8Very high83.3Confident59 Ų5981.1 Ų81.128%0.27643%0.43SS..EExtended strand (participates in β ladder)trans-71.4124.2173.2-168.2-169.3160.700111.5F386 K400F386-E398 HydrophobicContact CD1-CB 3.66Å; F386-E398 HydrophobicContact CD1-CG 4.07Å; F386-E398 HydrophobicContact CE1-CB 3.59Å; F386-E398 HydrophobicContact CE1-CG 3.76Å; F386-E398 HydrophobicContact CZ-CG 4.22Å; E398-K400 HydrophobicContact CB-CG 4.03Å; E398-K400 VanDerWaalsContact CD-CE 3.48Å; E398-K400 VanDerWaalsContact CD-CG 3.45Å; E398-K400 HydrophobicContact CG-CG 3.75Å; E398-K400 PolarHBondContact O-N 3.39Å; E398-K400 WeakPolarHBondContact OE2-CE 3.34Å; E398-K400 IonicContact OE2-NZ 3.81Å
399M92.9Very high83.3Confident1 Ų180 Ų801%0.00542%0.424CS..  trans-79.969.1176.4-55.3-179.585.500110.8V365 L385 E397 L406 Y409 I411 L417V365-M399 HydrophobicContact CG1-CB 4.06Å; V365-M399 HydrophobicContact CG2-CB 4.12Å; V365-M399 HydrophobicContact CG2-CE 3.78Å; L385-M399 HydrophobicContact CB-CB 4.32Å; L385-M399 HydrophobicContact CD2-CB 4.3Å; L385-M399 HydrophobicContact CD2-CE 4.41Å; L385-M399 HydrophobicContact CD2-CG 4.4Å; L385-M399 HydrophobicContact CD2-SD 3.34Å; L385-M399 WeakPolarHBondContact CD2-SD 3.35Å; L385-M399 HydrophobicContact CG-CB 4.39Å; L385-M399 HydrophobicContact CG-CG 4.35Å; L385-M399 HydrophobicContact CG-SD 3.61Å; L385-M399 PolarHBondContact O-N 3.39Å; E397-M399 PolarHBondContact O-N 2.79Å; M399-L406 HydrophobicContact CE-CD2 3.46Å; M399-L406 VanDerWaalsContact CE-CD2 3.46Å; M399-Y409 HydrophobicContact CB-CE1 4.42Å; M399-Y409 HydrophobicContact CE-CD1 4.31Å; M399-Y409 HydrophobicContact CE-CD2 3.6Å; M399-Y409 HydrophobicContact CE-CE1 4.22Å; M399-Y409 HydrophobicContact CE-CE2 3.47Å; M399-Y409 VanDerWaalsContact CE-CE2 3.47Å; M399-Y409 HydrophobicContact CE-CG 4.02Å; M399-Y409 HydrophobicContact CG-CE1 3.95Å; M399-I411 HydrophobicContact CE-CD1 4.4Å; M399-L417 HydrophobicContact SD-CD2 3.91Å
400K89.5Confident83.6Confident129 Ų12979.8 Ų79.856%0.56143%0.433SS*.  trans-66.7-36.8-172.1-70.2173.5179174.50114E398 N402E398-K400 HydrophobicContact CB-CG 4.03Å; E398-K400 VanDerWaalsContact CD-CE 3.48Å; E398-K400 VanDerWaalsContact CD-CG 3.45Å; E398-K400 HydrophobicContact CG-CG 3.75Å; E398-K400 PolarHBondContact O-N 3.39Å; E398-K400 WeakPolarHBondContact OE2-CE 3.34Å; E398-K400 IonicContact OE2-NZ 3.81Å; K400-N402 PolarHBondContact O-N 3.1Å
401Y92.5Very high84.6Confident155 Ų15573.7 Ų73.761%0.60841%0.405SS*.  trans-93.2101.6-170.4-58.1-71.8000111.3S403 R404Y401-S403 PolarHBondContact O-N 3.15Å; Y401-S403 VanDerWaalsContact O-N 3.12Å; Y401-R404 WeakPolarHBondContact O-CB 3.16Å; Y401-R404 PolarHBondContact O-N 3.39Å
402N91.8Very high85.7Confident83 Ų8373.2 Ų73.244%0.44440%0.397SS..THydrogen-bonded Turntrans-57.5-26.8-178.8-80.7-16.6000114.2A366 K369 K400A366-N402 HydrophobicContact CB-CB 4.12Å; A366-N402 WeakPolarHBondContact CB-O 3.35Å; A366-N402 PolarHBondContact N-O 2.86Å; K369-N402 PolarHBondContact NZ-OD1 3.47Å; K369-N402 VanDerWaalsContact NZ-OD1 3.1Å; K400-N402 PolarHBondContact O-N 3.1Å
403S93.1Very high87Confident105 Ų10576.2 Ų76.273%0.73441%0.407SS*.THydrogen-bonded Turntrans-87.1-8.3178.456.10000114.4Y401Y401-S403 PolarHBondContact O-N 3.15Å; Y401-S403 VanDerWaalsContact O-N 3.12Å
404R93.3Very high88.3Confident80 Ų8072 Ų7230%0.30239%0.386SS..SBendtrans-73.2133.5-179.2-174.7166.3175.5-164.41.9109.4T364 V365 E397 Y401 S408 Y409T364-R404 WeakPolarHBondContact CA-O 3.28Å; V365-R404 PolarHBondContact N-O 3.04Å; E397-R404 IonicContact OE1-NH1 3.85Å; E397-R404 PolarHBondContact OE1-NH1 3.2Å; Y401-R404 WeakPolarHBondContact O-CB 3.16Å; Y401-R404 PolarHBondContact O-N 3.39Å; R404-S408 WeakPolarHBondContact CG-OG 3.36Å; R404-S408 PolarHBondContact NE-OG 3.39Å; R404-S408 PolarHBondContact NH2-O 3.4Å; R404-Y409 HydrophobicContact CB-CE2 4.33Å; R404-Y409 HydrophobicContact CG-CE2 3.77Å
405A92.7Very high89.6Confident23 Ų2364.2 Ų64.219%0.1935%0.352CS..BIsolated β-bridgetrans-76.9147.3177.100000111.3Q363 H407 S408Q363-A405 CarbonylContact O-C 3.23Å; Q363-A405 WeakPolarHBondContact O-CA 3.46Å; A405-H407 WeakPolarHBondContact CB-CE1 3.41Å; A405-H407 PolarHBondContact O-N 3.33Å; A405-S408 WeakPolarHBondContact O-CB 3.42Å; A405-S408 PolarHBondContact O-N 3.11Å; A405-S408 PolarHBondContact O-OG 2.82Å
406L92.6Very high90.6Very high0 Ų064.5 Ų64.50%034%0.336CS..G310 helixtrans-66.7-35.5-171.9-68-164.7000113.8I359 L361 Q363 V365 L368 M399 S408 Y409 I411I359-L406 HydrophobicContact CD1-CD1 3.88Å; L361-L406 HydrophobicContact CD2-CB 4.38Å; L361-L406 PolarHBondContact O-N 3.21Å; Q363-L406 HydrophobicContact CG-CD1 3.61Å; Q363-L406 HydrophobicContact CG-CG 3.94Å; Q363-L406 WeakPolarHBondContact O-CG 3.48Å; Q363-L406 PolarHBondContact O-N 3.05Å; V365-L406 HydrophobicContact CG2-CD2 3.98Å; L368-L406 HydrophobicContact CB-CD1 4.14Å; L368-L406 HydrophobicContact CD1-CD1 4.44Å; L368-L406 HydrophobicContact CD2-CD1 3.74Å; L368-L406 HydrophobicContact CD2-CD2 3.89Å; L368-L406 HydrophobicContact CD2-CG 4.48Å; L368-L406 HydrophobicContact CG-CD1 4.33Å; M399-L406 HydrophobicContact CE-CD2 3.46Å; M399-L406 VanDerWaalsContact CE-CD2 3.46Å; L406-S408 PolarHBondContact O-N 3.3Å; L406-Y409 PolarHBondContact O-N 3.19Å; L406-I411 HydrophobicContact CB-CD1 4.11Å; L406-I411 HydrophobicContact CD2-CD1 4.4Å
407H89.9Confident91Very high117 Ų11761 Ų6154%0.54231%0.314SS..G310 helixtrans-57.5-23.9176.858.9-102.7000113.3L361 A405 Y409 G410L361-H407 HydrophobicContact CB-CB 4.16Å; L361-H407 WeakPolarHBondContact O-CB 3.31Å; L361-H407 PolarHBondContact O-N 2.83Å; L361-H407 PolarHBondContact O-ND1 2.64Å; L361-H407 VanDerWaalsContact O-ND1 3.09Å; A405-H407 WeakPolarHBondContact CB-CE1 3.41Å; A405-H407 PolarHBondContact O-N 3.33Å; H407-Y409 PolarHBondContact O-N 3.17Å; H407-G410 PolarHBondContact O-N 2.92Å; H407-G410 VanDerWaalsContact O-N 3.16Å
408S89.6Confident91.1Very high50 Ų5060.1 Ų60.135%0.3531%0.307SS..G310 helixtrans-74.6-6.7178.473.70000114.6R404 A405 L406R404-S408 WeakPolarHBondContact CG-OG 3.36Å; R404-S408 PolarHBondContact NE-OG 3.39Å; R404-S408 PolarHBondContact NH2-O 3.4Å; A405-S408 WeakPolarHBondContact O-CB 3.42Å; A405-S408 PolarHBondContact O-N 3.11Å; A405-S408 PolarHBondContact O-OG 2.82Å; L406-S408 PolarHBondContact O-N 3.3Å
409Y88.6Confident91.2Very high17 Ų1757.6 Ų57.67%0.06730%0.296CS..G310 helixtrans-95.2-5.6171.7-65.3-88.3000112V365 Y387 E397 M399 R404 L406 H407 I411V365-Y409 HydrophobicContact CG2-CE2 3.87Å; Y387-Y409 HydrophobicContact CD1-CD1 4.43Å; Y387-Y409 VanDerWaalsContact CE1-O 3.31Å; Y387-Y409 WeakPolarHBondContact CE1-O 3.42Å; E397-Y409 WeakPolarHBondContact OE1-CE1 3.36Å; M399-Y409 HydrophobicContact CB-CE1 4.42Å; M399-Y409 HydrophobicContact CE-CD1 4.31Å; M399-Y409 HydrophobicContact CE-CD2 3.6Å; M399-Y409 HydrophobicContact CE-CE1 4.22Å; M399-Y409 HydrophobicContact CE-CE2 3.47Å; M399-Y409 VanDerWaalsContact CE-CE2 3.47Å; M399-Y409 HydrophobicContact CE-CG 4.02Å; M399-Y409 HydrophobicContact CG-CE1 3.95Å; R404-Y409 HydrophobicContact CB-CE2 4.33Å; R404-Y409 HydrophobicContact CG-CE2 3.77Å; L406-Y409 PolarHBondContact O-N 3.19Å; H407-Y409 PolarHBondContact O-N 3.17Å; Y409-I411 VanDerWaalsContact C-N 3.26Å; Y409-I411 PolarHBondContact O-N 3.42Å
410G88Confident91.1Very high44 Ų4462.2 Ų62.245%0.45432%0.318SS..THydrogen-bonded Turntrans6921.5179.600000114.6H407 R412H407-G410 PolarHBondContact O-N 2.92Å; H407-G410 VanDerWaalsContact O-N 3.16Å; G410-R412 PolarHBondContact O-N 3.29Å
411I90.1Very high91Very high3 Ų359.2 Ų59.22%0.01531%0.311CS..  trans-56.8131.1-176.2-59.3160.9000111.3A344 V346 I359 L361 Y387 M399 L406 Y409 D415A344-I411 HydrophobicContact CB-CG2 4.01Å; V346-I411 HydrophobicContact CG1-CG2 3.62Å; I359-I411 HydrophobicContact CD1-CD1 4.32Å; I359-I411 HydrophobicContact CD1-CG2 4.24Å; L361-I411 HydrophobicContact CD2-CB 3.89Å; L361-I411 HydrophobicContact CD2-CD1 4.47Å; L361-I411 HydrophobicContact CD2-CG2 4.23Å; Y387-I411 HydrophobicContact CD2-CG1 3.84Å; Y387-I411 HydrophobicContact CE1-CG1 4.46Å; Y387-I411 HydrophobicContact CE2-CB 4.16Å; Y387-I411 HydrophobicContact CE2-CG1 3.54Å; Y387-I411 HydrophobicContact CE2-CG2 4.22Å; Y387-I411 HydrophobicContact CG-CG1 4.43Å; M399-I411 HydrophobicContact CE-CD1 4.4Å; L406-I411 HydrophobicContact CB-CD1 4.11Å; L406-I411 HydrophobicContact CD2-CD1 4.4Å; Y409-I411 VanDerWaalsContact C-N 3.26Å; Y409-I411 PolarHBondContact O-N 3.42Å; I411-D415 WeakPolarHBondContact CA-OD2 3.38Å; I411-D415 HydrophobicContact CG2-CB 4.25Å
412R89.6Confident90.6Very high133 Ų13358.4 Ų58.450%0.50231%0.307SS..  trans-119.2172.3178.7-65.7175.5-178.5171.91.8111.7E391 G410 G414 D415E391-R412 IonicContact OE2-NH1 3.33Å; E391-R412 PolarHBondContact OE2-NH1 3.31Å; E391-R412 VanDerWaalsContact OE2-NH1 3.16Å; G410-R412 PolarHBondContact O-N 3.29Å; R412-G414 PolarHBondContact O-N 3.07Å; R412-D415 PolarHBondContact N-OD2 3.19Å; R412-D415 WeakPolarHBondContact O-CB 3.21Å; R412-D415 PolarHBondContact O-N 2.87Å
413D89.8Confident89.6Confident99 Ų9963.5 Ų63.553%0.52933%0.33SS..THydrogen-bonded Turntrans-63.4130.8172.2-71.1-16.4000110.2Q341 A344 K345Q341-D413 PolarHBondContact NE2-OD1 3.27Å; A344-D413 WeakPolarHBondContact CA-OD1 3.14Å; K345-D413 PolarHBondContact N-OD1 3.11Å; K345-D413 CarbonylContact O-C 3.27Å; K345-D413 WeakPolarHBondContact O-CA 3.15Å
414G88.2Confident87.7Confident31 Ų3171.6 Ų71.632%0.3235%0.352SS..THydrogen-bonded Turntrans92.9-4.7-179.400000115.1K345 R412K345-G414 PolarHBondContact O-N 2.97Å; R412-G414 PolarHBondContact O-N 3.07Å
415D91.4Very high87.4Confident3 Ų371.2 Ų71.22%0.01636%0.355CS..  trans-70.5160.8175.6-76.2-13.8000112.8V346 E347 Y387 H390 I411 R412V346-D415 VanDerWaalsContact CA-O 3.31Å; V346-D415 WeakPolarHBondContact CA-O 3.32Å; V346-D415 WeakPolarHBondContact CB-O 3.4Å; E347-D415 PolarHBondContact N-O 3.33Å; Y387-D415 HydrophobicContact CE2-CB 3.72Å; Y387-D415 VanDerWaalsContact CE2-OD2 3.29Å; Y387-D415 WeakPolarHBondContact CE2-OD2 3.3Å; Y387-D415 PolarHBondContact OH-OD2 3.08Å; H390-D415 WeakPolarHBondContact CB-OD1 3.45Å; H390-D415 PolarHBondContact N-OD1 3.38Å; I411-D415 WeakPolarHBondContact CA-OD2 3.38Å; I411-D415 HydrophobicContact CG2-CB 4.25Å; R412-D415 PolarHBondContact N-OD2 3.19Å; R412-D415 WeakPolarHBondContact O-CB 3.21Å; R412-D415 PolarHBondContact O-N 2.87Å
416K92.6Very high87.1Confident63 Ų6373.7 Ų73.727%0.27436%0.364SS..EExtended strand (participates in β ladder)trans-114.4136.2-172.2-58.9179-179.1171.90112.1E347 L388 Y418E347-K416 HydrophobicContact CB-CG 4.25Å; E347-K416 CarbonylContact O-C 3.56Å; E347-K416 WeakPolarHBondContact O-CA 3.41Å; E347-K416 VanDerWaalsContact OE2-CE 3.32Å; E347-K416 WeakPolarHBondContact OE2-CE 3.28Å; L388-K416 HydrophobicContact CB-CB 4.32Å; L388-K416 PolarHBondContact N-O 3.03Å; L388-K416 PolarHBondContact O-N 3.34Å; K416-Y418 HydrophobicContact CB-CD2 4.48Å; K416-Y418 HydrophobicContact CB-CE2 3.77Å
417L93.6Very high86.8Confident1 Ų177.8 Ų77.81%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-115.6115.5172.7-68.9178.4000109.6V346 E347 V348 H349 I359 L368 L385 F386 Y387 M399V346-L417 HydrophobicContact CB-CD1 4.43Å; V346-L417 HydrophobicContact CG2-CD1 3.71Å; V346-L417 HydrophobicContact CG2-CG 4.27Å; E347-L417 PolarHBondContact O-N 3.24Å; V348-L417 CarbonylContact C-O 3.57Å; V348-L417 WeakPolarHBondContact CA-O 3.4Å; V348-L417 HydrophobicContact CG2-CB 4.37Å; V348-L417 HydrophobicContact CG2-CD1 4.48Å; H349-L417 PolarHBondContact N-O 2.71Å; I359-L417 HydrophobicContact CD1-CD1 4.34Å; L368-L417 HydrophobicContact CD1-CD1 4.5Å; L368-L417 HydrophobicContact CD2-CD1 3.89Å; L385-L417 HydrophobicContact CD1-CB 4.27Å; F386-L417 CarbonylContact O-C 3.53Å; F386-L417 WeakPolarHBondContact O-CA 3.28Å; Y387-L417 HydrophobicContact CD2-CD2 4.12Å; M399-L417 HydrophobicContact SD-CD2 3.91Å
418Y92.4Very high86.7Confident66 Ų6675.5 Ų75.526%0.25938%0.375SS..EExtended strand (participates in β ladder)trans-95.5128.1175.3-64.1-91.8000110.2H349 L385 F386 L388 K416H349-Y418 HydrophobicContact CB-CD1 3.36Å; H349-Y418 HydrophobicContact CB-CE1 3.49Å; H349-Y418 VanDerWaalsContact CB-CE1 3.49Å; H349-Y418 HydrophobicContact CB-CG 4.11Å; H349-Y418 AromaticContact CG-CD1 3.97Å; H349-Y418 AromaticContact CG-CE1 3.56Å; H349-Y418 AromaticContact ND1-CE1 3.73Å; H349-Y418 WeakPolarHBondContact O-CA 3.44Å; L385-Y418 CarbonylContact C-O 3.48Å; L385-Y418 WeakPolarHBondContact CA-O 3.34Å; F386-Y418 PolarHBondContact N-O 3.28Å; F386-Y418 PolarHBondContact O-N 2.65Å; L388-Y418 HydrophobicContact CB-CD2 4.34Å; L388-Y418 HydrophobicContact CB-CE2 3.9Å; L388-Y418 HydrophobicContact CD2-CE2 3.86Å; K416-Y418 HydrophobicContact CB-CD2 4.48Å; K416-Y418 HydrophobicContact CB-CE2 3.77Å
419V92.8Very high86.5Confident6 Ų677.1 Ų77.14%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-107.1128.8174.6-171.30000108.5V348 H349 F350 L372 V376 L378 M383 L384 L385V348-V419 HydrophobicContact CG1-CG2 3.87Å; H349-V419 PolarHBondContact O-N 3.17Å; F350-V419 HydrophobicContact CB-CB 4.34Å; F350-V419 HydrophobicContact CD2-CB 3.97Å; F350-V419 HydrophobicContact CD2-CG1 4.12Å; F350-V419 VanDerWaalsContact CD2-O 3.29Å; F350-V419 WeakPolarHBondContact CD2-O 3.29Å; L372-V419 HydrophobicContact CD1-CG2 4Å; V376-V419 HydrophobicContact CB-CG1 4.47Å; V376-V419 HydrophobicContact CG1-CB 4.11Å; V376-V419 HydrophobicContact CG1-CG1 4.18Å; V376-V419 HydrophobicContact CG1-CG2 4.07Å; V376-V419 HydrophobicContact CG2-CG1 4.09Å; L378-V419 HydrophobicContact CD1-CG1 4.44Å; M383-V419 HydrophobicContact CB-CG1 4.31Å; M383-V419 HydrophobicContact CG-CG1 4.15Å; L384-V419 WeakPolarHBondContact O-CA 3.47Å; L385-V419 HydrophobicContact CD1-CG2 3.79Å
420E90.7Very high86.3Confident99 Ų9981.1 Ų81.146%0.46340%0.397SS..EExtended strand (participates in β ladder)trans-128144.1175.5-64.1-173.9173.400110.8L384 F386L384-E420 HydrophobicContact CB-CB 4.24Å; L384-E420 PolarHBondContact N-O 2.81Å; L384-E420 PolarHBondContact O-N 3.16Å; F386-E420 HydrophobicContact CD2-CG 4.45Å; F386-E420 HydrophobicContact CE2-CB 4.29Å; F386-E420 HydrophobicContact CE2-CG 4.14Å
421P87.8Confident86.2Confident65 Ų6583.8 Ų83.842%0.42239%0.393SS..EExtended strand (participates in β ladder)trans-72.8132.6173.528.6-29.9000110.6L378 N382 M423L378-P421 HydrophobicContact CD1-CB 4.23Å; N382-P421 CarbonylContact O-C 3.42Å; N382-P421 WeakPolarHBondContact O-CA 3.36Å; P421-M423 PolarHBondContact O-N 3.39Å; P421-M423 VanDerWaalsContact O-N 3.14Å
422R83.3Confident85.9Confident138 Ų13890 Ų9052%0.52142%0.422SS..PPolyproline II helixtrans-59.7117.4167.7-78.4-172173.3-178.1-7.5109.4S381 N382 L384S381-R422 WeakPolarHBondContact O-CD 3.39Å; N382-R422 PolarHBondContact O-N 3.06Å; L384-R422 HydrophobicContact CD1-CG 4.17Å; L384-R422 HydrophobicContact CD2-CG 3.64Å; L384-R422 HydrophobicContact CG-CG 3.58Å
423M70.9Confident85.6Confident190 Ų19086.4 Ų86.494%0.93642%0.415SS*.PPolyproline II helixtrans-65.1134.3167.7-64.3-163-168.700108.8P421P421-M423 PolarHBondContact O-N 3.39Å; P421-M423 VanDerWaalsContact O-N 3.14Å
424K53.9Low85.2Confident276 Ų27685.3 Ų85.3100%1.241%0.405SS*.  trans-75.10178.9-89-171.4176.3-178.20111.9

Retrieved 424 of 424 residues in 260.9 ms (Link to these results)

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