A0A077YY72_TRITR Loading...

RWD and UPF0029 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 279 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
1M62.4Low82.7Confident168 Ų16892.4 Ų92.483%0.82846%0.459SS*.  0-49.70-85.2-177.7-85.500110.1E3 N4 N5 L58M1-E3 PolarHBondContact O-N 2.97Å; M1-N4 WeakPolarHBondContact O-CB 3.43Å; M1-N4 PolarHBondContact O-N 3.5Å; M1-N5 PolarHBondContact O-N 3.41Å; M1-N5 VanDerWaalsContact O-N 3.1Å; M1-L58 HydrophobicContact SD-CD1 4.33Å
2E62.8Low83.6Confident148 Ų14885.9 Ų85.969%0.69243%0.426SS*.Hα-helixtrans-55.2-47.9175.3-70.3166.3-158.400114.2N4 N5 A6E2-N4 VanDerWaalsContact C-N 3.26Å; E2-N4 PolarHBondContact O-N 3.22Å; E2-N5 WeakPolarHBondContact O-CB 3.33Å; E2-N5 PolarHBondContact O-N 2.91Å; E2-N5 VanDerWaalsContact O-N 3.13Å; E2-A6 PolarHBondContact O-N 3.42Å
3E69.8Low84.1Confident175 Ų17582.2 Ų82.282%0.81841%0.409SS*.Hα-helixtrans-59.1-36.2177.9-71.7-179.2165.300112.9M1 Q7M1-E3 PolarHBondContact O-N 2.97Å; E3-Q7 PolarHBondContact O-N 3.31Å
4N85.8Confident84.6Confident80 Ų8084.8 Ų84.843%0.42842%0.419SS..Hα-helixtrans-69.3-41.4177.4-169.749.2000111.3M1 E2 Q7 L8M1-N4 WeakPolarHBondContact O-CB 3.43Å; M1-N4 PolarHBondContact O-N 3.5Å; E2-N4 VanDerWaalsContact C-N 3.26Å; E2-N4 PolarHBondContact O-N 3.22Å; N4-Q7 PolarHBondContact O-N 2.91Å; N4-L8 WeakPolarHBondContact O-CB 3.28Å; N4-L8 VanDerWaalsContact O-CG 3.26Å; N4-L8 WeakPolarHBondContact O-CG 3.45Å; N4-L8 PolarHBondContact O-N 2.85Å
5N88.9Confident85.1Confident3 Ų382.2 Ų82.22%0.01642%0.417CS..Hα-helixtrans-62.7-43.8176.3-81.9-11.2000112M1 E2 Q7 L8 R9 E53 D54 Y55 P56 C57M1-N5 PolarHBondContact O-N 3.41Å; M1-N5 VanDerWaalsContact O-N 3.1Å; E2-N5 WeakPolarHBondContact O-CB 3.33Å; E2-N5 PolarHBondContact O-N 2.91Å; E2-N5 VanDerWaalsContact O-N 3.13Å; N5-Q7 PolarHBondContact O-N 3Å; N5-L8 PolarHBondContact O-N 3.47Å; N5-R9 WeakPolarHBondContact O-CB 3.49Å; N5-R9 WeakPolarHBondContact O-CG 3.47Å; N5-R9 PolarHBondContact O-N 3.13Å; N5-E53 PolarHBondContact ND2-O 3Å; N5-D54 VanDerWaalsContact ND2-CA 3.29Å; N5-D54 WeakPolarHBondContact ND2-CA 3.11Å; N5-D54 PolarHBondContact ND2-O 2.91Å; N5-Y55 VanDerWaalsContact CB-O 3.28Å; N5-Y55 WeakPolarHBondContact CB-O 3.43Å; N5-Y55 PolarHBondContact ND2-O 3.25Å; N5-Y55 PolarHBondContact OD1-O 3.18Å; N5-P56 WeakPolarHBondContact OD1-CD 3.29Å; N5-C57 VanDerWaalsContact OD1-CB 3.28Å; N5-C57 WeakPolarHBondContact OD1-CB 3.33Å; N5-C57 PolarHBondContact OD1-N 2.88Å; N5-C57 PolarHBondContact OD1-SG 3.46Å
6A87Confident85.6Confident58 Ų5877.3 Ų77.348%0.47939%0.391SS..Hα-helixtrans-61-44.7179.200000111.8E2 Q10E2-A6 PolarHBondContact O-N 3.42Å; A6-Q10 PolarHBondContact O-N 3.46Å
7Q89.8Confident85.9Confident109 Ų10977.8 Ų77.851%0.50940%0.4SS..Hα-helixtrans-62.9-49175.9-177.3175.8-1.600111.7E3 N4 N5 R9 Q10 E11E3-Q7 PolarHBondContact O-N 3.31Å; N4-Q7 PolarHBondContact O-N 2.91Å; N5-Q7 PolarHBondContact O-N 3Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-R9 PolarHBondContact O-N 3.1Å; Q7-Q10 PolarHBondContact O-N 3.46Å; Q7-Q10 VanDerWaalsContact O-N 3.12Å; Q7-E11 WeakPolarHBondContact CG-OE1 3.29Å; Q7-E11 PolarHBondContact NE2-OE1 3.37Å; Q7-E11 WeakPolarHBondContact O-CG 3.28Å; Q7-E11 PolarHBondContact O-N 3.06Å
8L91.4Very high86.2Confident32 Ų3278.4 Ų78.417%0.16842%0.418CS..Hα-helixtrans-60.4-39.5179.7-72.9172000112.5N4 N5 E11 E12 P56 P93N4-L8 WeakPolarHBondContact O-CB 3.28Å; N4-L8 VanDerWaalsContact O-CG 3.26Å; N4-L8 WeakPolarHBondContact O-CG 3.45Å; N4-L8 PolarHBondContact O-N 2.85Å; N5-L8 PolarHBondContact O-N 3.47Å; L8-E11 PolarHBondContact O-N 3.4Å; L8-E12 WeakPolarHBondContact O-CB 3.26Å; L8-E12 PolarHBondContact O-N 3.2Å; L8-P56 HydrophobicContact CB-CG 4.06Å; L8-P56 HydrophobicContact CD1-CG 3.84Å; L8-P93 HydrophobicContact CB-CG 4.23Å
9R90.5Very high86.5Confident28 Ų2879.3 Ų79.311%0.10642%0.422CS..Hα-helixtrans-63.7-44.2173.6-73.9-176.9-148155.120.7111.7N5 Q7 E11 E12 L13 N30 L51 P52 E53 Y55N5-R9 WeakPolarHBondContact O-CB 3.49Å; N5-R9 WeakPolarHBondContact O-CG 3.47Å; N5-R9 PolarHBondContact O-N 3.13Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-R9 PolarHBondContact O-N 3.1Å; R9-E11 VanDerWaalsContact C-N 3.32Å; R9-E11 PolarHBondContact O-N 3.21Å; R9-E12 PolarHBondContact O-N 2.98Å; R9-L13 WeakPolarHBondContact O-CB 3.43Å; R9-L13 VanDerWaalsContact O-CG 3.23Å; R9-L13 WeakPolarHBondContact O-CG 3.46Å; R9-L13 PolarHBondContact O-N 3.39Å; R9-N30 PolarHBondContact NH1-OD1 3.26Å; R9-L51 HydrophobicContact CG-CD1 4.3Å; R9-P52 PolarHBondContact NH1-O 3.15Å; R9-P52 PolarHBondContact NH2-O 2.99Å; R9-E53 VanDerWaalsContact NH2-CA 3.33Å; R9-E53 PolarHBondContact NH2-O 3.19Å; R9-Y55 HydrophobicContact CG-CD1 3.87Å; R9-Y55 HydrophobicContact CG-CE1 4.05Å; R9-Y55 VanDerWaalsContact CZ-O 3.31Å; R9-Y55 PolarHBondContact NE-O 3.4Å; R9-Y55 PolarHBondContact NH2-O 2.65Å
10Q89.4Confident86.6Confident119 Ų11976 Ų7656%0.55640%0.404SS*.Hα-helixtrans-62.1-42.9179.5-171.9179.613.100111.5A6 Q7 L13 Q14A6-Q10 PolarHBondContact O-N 3.46Å; Q7-Q10 PolarHBondContact O-N 3.46Å; Q7-Q10 VanDerWaalsContact O-N 3.12Å; Q10-L13 PolarHBondContact O-N 3.03Å; Q10-Q14 VanDerWaalsContact O-CG 3.28Å; Q10-Q14 WeakPolarHBondContact O-CG 3.38Å; Q10-Q14 PolarHBondContact O-N 2.99Å
11E92.2Very high86.7Confident96 Ų9674.2 Ų74.245%0.44940%0.404SS..Hα-helixtrans-64.1-43.9175.9-70.3174.7-170.900111.6Q7 L8 R9 Q14 A15Q7-E11 WeakPolarHBondContact CG-OE1 3.29Å; Q7-E11 PolarHBondContact NE2-OE1 3.37Å; Q7-E11 WeakPolarHBondContact O-CG 3.28Å; Q7-E11 PolarHBondContact O-N 3.06Å; L8-E11 PolarHBondContact O-N 3.4Å; R9-E11 VanDerWaalsContact C-N 3.32Å; R9-E11 PolarHBondContact O-N 3.21Å; E11-Q14 PolarHBondContact O-N 3.23Å; E11-A15 PolarHBondContact O-N 3.11Å
12E93.3Very high87.8Confident15 Ų1572.5 Ų72.57%0.0740%0.398CS..Hα-helixtrans-59.3-49.4174.8-179.8175.5-130.600111.4L8 R9 Q14 A15 L16 Y55 P93 V94 L95L8-E12 WeakPolarHBondContact O-CB 3.26Å; L8-E12 PolarHBondContact O-N 3.2Å; R9-E12 PolarHBondContact O-N 2.98Å; E12-Q14 VanDerWaalsContact C-N 3.31Å; E12-Q14 PolarHBondContact O-N 3.47Å; E12-A15 WeakPolarHBondContact O-CB 3.45Å; E12-A15 PolarHBondContact O-N 3.06Å; E12-A15 VanDerWaalsContact O-N 3.12Å; E12-L16 HydrophobicContact CG-CD1 4Å; E12-L16 HydrophobicContact CG-CG 4.2Å; E12-L16 VanDerWaalsContact O-CG 3.3Å; E12-L16 WeakPolarHBondContact O-CG 3.4Å; E12-L16 PolarHBondContact O-N 2.94Å; E12-Y55 PolarHBondContact OE1-OH 3.18Å; E12-Y55 VanDerWaalsContact OE2-CE1 3.3Å; E12-Y55 WeakPolarHBondContact OE2-CE1 3.33Å; E12-Y55 PolarHBondContact OE2-OH 3.48Å; E12-P93 HydrophobicContact CB-CB 3.88Å; E12-P93 HydrophobicContact CB-CG 4.36Å; E12-P93 HydrophobicContact CG-CB 3.89Å; E12-P93 WeakPolarHBondContact OE1-CB 3.47Å; E12-V94 PolarHBondContact OE1-N 2.99Å; E12-L95 HydrophobicContact CG-CB 4.4Å; E12-L95 VanDerWaalsContact OE1-CB 3.27Å; E12-L95 WeakPolarHBondContact OE1-CB 3.28Å; E12-L95 WeakPolarHBondContact OE1-CG 3.47Å; E12-L95 PolarHBondContact OE1-N 3.25Å
13L90Very high89Confident38 Ų3868 Ų6820%0.19938%0.377CS..Hα-helixtrans-61.9-38.4-179.5-69.9178.8000112.7R9 Q10 L16 T17 L32R9-L13 WeakPolarHBondContact O-CB 3.43Å; R9-L13 VanDerWaalsContact O-CG 3.23Å; R9-L13 WeakPolarHBondContact O-CG 3.46Å; R9-L13 PolarHBondContact O-N 3.39Å; Q10-L13 PolarHBondContact O-N 3.03Å; L13-L16 HydrophobicContact CD2-CD1 4.44Å; L13-T17 WeakPolarHBondContact O-CB 3.11Å; L13-T17 PolarHBondContact O-N 3.5Å; L13-T17 PolarHBondContact O-OG1 2.94Å; L13-L32 HydrophobicContact CD2-CD1 3.76Å; L13-L32 HydrophobicContact CD2-CD2 3.39Å; L13-L32 HydrophobicContact CD2-CG 4.21Å
14Q91.3Very high90Very high118 Ų11860.5 Ų60.555%0.55134%0.341SS*.Hα-helixtrans-63.5-44.7174-74.2174.47.400111.4Q10 E11 E12 T17 A18Q10-Q14 VanDerWaalsContact O-CG 3.28Å; Q10-Q14 WeakPolarHBondContact O-CG 3.38Å; Q10-Q14 PolarHBondContact O-N 2.99Å; E11-Q14 PolarHBondContact O-N 3.23Å; E12-Q14 VanDerWaalsContact C-N 3.31Å; E12-Q14 PolarHBondContact O-N 3.47Å; Q14-T17 PolarHBondContact O-N 3Å; Q14-A18 WeakPolarHBondContact O-CB 3.42Å; Q14-A18 PolarHBondContact O-N 3.22Å
15A92.7Very high90.2Very high46 Ų4662.2 Ų62.238%0.3835%0.346SS..Hα-helixtrans-63.2-46.1177.100000111.7E11 E12 T17 A18 I19E11-A15 PolarHBondContact O-N 3.11Å; E12-A15 WeakPolarHBondContact O-CB 3.45Å; E12-A15 PolarHBondContact O-N 3.06Å; E12-A15 VanDerWaalsContact O-N 3.12Å; A15-T17 PolarHBondContact O-N 3.27Å; A15-A18 PolarHBondContact O-N 3.37Å; A15-I19 WeakPolarHBondContact O-CB 3.24Å; A15-I19 WeakPolarHBondContact O-CD1 3.45Å; A15-I19 WeakPolarHBondContact O-CG1 3.38Å; A15-I19 PolarHBondContact O-N 2.92Å
16L93.1Very high90Very high3 Ų367 Ų672%0.01637%0.372CS..Hα-helixtrans-60.7-44.5178-67.7176.6000111.9E12 L13 A18 I19 F20 W24 L95 F96E12-L16 HydrophobicContact CG-CD1 4Å; E12-L16 HydrophobicContact CG-CG 4.2Å; E12-L16 VanDerWaalsContact O-CG 3.3Å; E12-L16 WeakPolarHBondContact O-CG 3.4Å; E12-L16 PolarHBondContact O-N 2.94Å; L13-L16 HydrophobicContact CD2-CD1 4.44Å; L16-A18 VanDerWaalsContact C-N 3.29Å; L16-A18 PolarHBondContact O-N 3.37Å; L16-I19 PolarHBondContact O-N 2.97Å; L16-F20 HydrophobicContact CB-CD2 4.45Å; L16-F20 HydrophobicContact CD2-CD2 3.86Å; L16-F20 HydrophobicContact CD2-CE2 3.74Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 PolarHBondContact O-N 3.12Å; L16-W24 HydrophobicContact CB-CG 4.33Å; L16-W24 HydrophobicContact CD1-CD2 4.25Å; L16-W24 HydrophobicContact CD1-CG 4.46Å; L16-W24 HydrophobicContact CD1-CZ2 4.34Å; L16-L95 HydrophobicContact CD1-CB 3.66Å; L16-L95 HydrophobicContact CD1-CD1 3.8Å; L16-L95 HydrophobicContact CD1-CG 4.4Å; L16-L95 HydrophobicContact CD2-CB 4.3Å; L16-F96 HydrophobicContact CD2-CB 4.13Å
17T89.5Confident89.8Confident87 Ų8769.1 Ų69.153%0.53437%0.371SS..Hα-helixtrans-62.3-39.2177.2-550000111.1L13 Q14 A15 G21L13-T17 WeakPolarHBondContact O-CB 3.11Å; L13-T17 PolarHBondContact O-N 3.5Å; L13-T17 PolarHBondContact O-OG1 2.94Å; Q14-T17 PolarHBondContact O-N 3Å; A15-T17 PolarHBondContact O-N 3.27Å; T17-G21 VanDerWaalsContact O-CA 3.29Å; T17-G21 WeakPolarHBondContact O-CA 3.07Å; T17-G21 PolarHBondContact O-N 2.91Å
18A91.9Very high89.4Confident89 Ų8966.8 Ų66.874%0.73637%0.367SS*.Hα-helixtrans-69.3-34.7178.400000113.2Q14 A15 L16Q14-A18 WeakPolarHBondContact O-CB 3.42Å; Q14-A18 PolarHBondContact O-N 3.22Å; A15-A18 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact C-N 3.29Å; L16-A18 PolarHBondContact O-N 3.37Å
19I91.2Very high88.8Confident95 Ų9571.8 Ų71.849%0.48739%0.394SS..Hα-helixtrans-87.9-43.7-174.8-65.2165.7000111.9A15 L16 F96A15-I19 WeakPolarHBondContact O-CB 3.24Å; A15-I19 WeakPolarHBondContact O-CD1 3.45Å; A15-I19 WeakPolarHBondContact O-CG1 3.38Å; A15-I19 PolarHBondContact O-N 2.92Å; L16-I19 PolarHBondContact O-N 2.97Å; I19-F96 HydrophobicContact CD1-CD2 3.72Å; I19-F96 HydrophobicContact CD1-CE2 3.67Å; I19-F96 HydrophobicContact CG2-CE2 4.16Å
20F90Very high88.6Confident13 Ų1373.4 Ų73.46%0.05741%0.405CS..Hα-helixtrans-109.4-3.7-169.9-60.3-70.9000113.4L16 D22 Q23 W24 F34 F96 K103L16-F20 HydrophobicContact CB-CD2 4.45Å; L16-F20 HydrophobicContact CD2-CD2 3.86Å; L16-F20 HydrophobicContact CD2-CE2 3.74Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 PolarHBondContact O-N 3.12Å; F20-D22 PolarHBondContact O-N 3.13Å; F20-D22 VanDerWaalsContact O-N 3.15Å; F20-Q23 HydrophobicContact CB-CB 4.17Å; F20-Q23 WeakPolarHBondContact O-CB 3.3Å; F20-Q23 WeakPolarHBondContact O-CG 3.39Å; F20-Q23 PolarHBondContact O-N 3.13Å; F20-W24 AromaticContact CD2-CD1 3.76Å; F20-W24 AromaticContact CD2-NE1 3.88Å; F20-F34 HydrophobicContact CB-CE2 4.31Å; F20-F34 HydrophobicContact CD1-CE2 4.09Å; F20-F34 HydrophobicContact CD1-CZ 4.34Å; F20-F34 HydrophobicContact CG-CE2 4.15Å; F20-F96 AromaticContact CE2-CD2 3.79Å; F20-F96 HydrophobicContact CE2-CD2 3.79Å; F20-F96 HydrophobicContact CE2-CE2 4.26Å; F20-F96 AromaticContact CZ-CD2 4Å; F20-F96 HydrophobicContact CZ-CD2 4Å; F20-F96 HydrophobicContact CZ-CE2 4.09Å; F20-K103 HydrophobicContact CD1-CD 4.08Å; F20-K103 HydrophobicContact CE1-CD 3.67Å
21G87.9Confident88.5Confident39 Ų3968.2 Ų68.240%0.40238%0.381SS..G310 helixtrans57.3-118.4176.100000112.2T17T17-G21 VanDerWaalsContact O-CA 3.29Å; T17-G21 WeakPolarHBondContact O-CA 3.07Å; T17-G21 PolarHBondContact O-N 2.91Å
22D85.5Confident88.5Confident131 Ų13163.9 Ų63.970%0.70136%0.36SS*.G310 helixtrans-86.6-3.2-177.265.4-24.4000114.5F20 W24F20-D22 PolarHBondContact O-N 3.13Å; F20-D22 VanDerWaalsContact O-N 3.15Å; D22-W24 VanDerWaalsContact C-N 3.27Å; D22-W24 PolarHBondContact O-N 3.47Å
23Q88.7Confident88.5Confident55 Ų5563.4 Ų63.426%0.25736%0.359SS..G310 helixtrans-67.1-31.6176.1-61.2-171.5-41.300111.9F20 F34 K35F20-Q23 HydrophobicContact CB-CB 4.17Å; F20-Q23 WeakPolarHBondContact O-CB 3.3Å; F20-Q23 WeakPolarHBondContact O-CG 3.39Å; F20-Q23 PolarHBondContact O-N 3.13Å; Q23-F34 HydrophobicContact CB-CD2 3.97Å; Q23-F34 HydrophobicContact CB-CE2 3.62Å; Q23-F34 VanDerWaalsContact O-CA 3.31Å; Q23-F34 WeakPolarHBondContact O-CA 3.35Å; Q23-K35 PolarHBondContact O-N 3.12Å
24W90.8Very high88.7Confident17 Ų1761.6 Ų61.66%0.06435%0.349CS..EExtended strand (participates in β ladder)trans-93.2124.8167.5-83.5103.9000109.8L16 F20 D22 L32 S33 F34 V49 L95 S99L16-W24 HydrophobicContact CB-CG 4.33Å; L16-W24 HydrophobicContact CD1-CD2 4.25Å; L16-W24 HydrophobicContact CD1-CG 4.46Å; L16-W24 HydrophobicContact CD1-CZ2 4.34Å; F20-W24 AromaticContact CD2-CD1 3.76Å; F20-W24 AromaticContact CD2-NE1 3.88Å; D22-W24 VanDerWaalsContact C-N 3.27Å; D22-W24 PolarHBondContact O-N 3.47Å; W24-L32 HydrophobicContact CE3-CB 3.82Å; W24-L32 HydrophobicContact CZ3-CB 3.62Å; W24-S33 CarbonylContact C-O 3.57Å; W24-S33 WeakPolarHBondContact CA-O 3.44Å; W24-F34 AromaticContact CD1-CD2 3.46Å; W24-F34 VanDerWaalsContact CD1-CD2 3.46Å; W24-F34 AromaticContact CD1-CE2 3.9Å; W24-F34 HydrophobicContact CD2-CB 3.72Å; W24-F34 AromaticContact CD2-CD2 3.85Å; W24-F34 HydrophobicContact CD2-CD2 3.85Å; W24-F34 HydrophobicContact CD2-CG 4.16Å; W24-F34 AromaticContact CE2-CD2 3.58Å; W24-F34 AromaticContact CE2-CG 3.75Å; W24-F34 HydrophobicContact CE3-CB 3.75Å; W24-F34 HydrophobicContact CG-CB 4.48Å; W24-F34 AromaticContact CG-CD2 3.81Å; W24-F34 HydrophobicContact CG-CD2 3.81Å; W24-F34 HydrophobicContact CH2-CB 3.65Å; W24-F34 HydrophobicContact CH2-CG 4.49Å; W24-F34 HydrophobicContact CZ2-CB 3.59Å; W24-F34 HydrophobicContact CZ2-CD2 4.24Å; W24-F34 AromaticContact CZ2-CG 3.96Å; W24-F34 HydrophobicContact CZ2-CG 3.96Å; W24-F34 HydrophobicContact CZ3-CB 3.71Å; W24-F34 AromaticContact NE1-CD2 3.28Å; W24-F34 VanDerWaalsContact NE1-CD2 3.28Å; W24-F34 AromaticContact NE1-CE2 3.75Å; W24-F34 AromaticContact NE1-CG 3.88Å; W24-V49 HydrophobicContact CH2-CG2 3.99Å; W24-V49 HydrophobicContact CZ3-CG2 4.25Å; W24-L95 HydrophobicContact CH2-CB 4.38Å; W24-L95 HydrophobicContact CH2-CD1 4.27Å; W24-L95 HydrophobicContact CH2-CD2 4.19Å; W24-L95 HydrophobicContact CZ2-CB 4.03Å; W24-S99 WeakPolarHBondContact CZ2-OG 3.49Å; W24-S99 PolarHBondContact NE1-OG 2.76Å
25Q88.5Confident88.8Confident115 Ų11559.3 Ų59.354%0.53734%0.337SS..EExtended strand (participates in β ladder)trans-118.1119.7177.1-60.8-179.3-400109.4L32 S33Q25-L32 WeakPolarHBondContact O-CA 3.47Å; Q25-S33 PolarHBondContact N-O 3.34Å; Q25-S33 PolarHBondContact O-N 2.9Å
26L85.5Confident88.8Confident105 Ų10557.7 Ų57.755%0.5532%0.323SS..EExtended strand (participates in β ladder)trans-80.8116174.6-174.973.7000109.1S28 L32L26-S28 WeakPolarHBondContact CD1-O 3.46Å; L26-L32 HydrophobicContact CB-CD2 4.28Å; L26-L32 HydrophobicContact CD1-CD2 3.39Å; L26-L32 HydrophobicContact CD1-CG 4.03Å; L26-L32 HydrophobicContact CG-CD2 4.45Å
27Q82.6Confident88.6Confident101 Ų10161.7 Ų61.747%0.47234%0.342SS..EExtended strand (participates in β ladder)trans-96.6-32176.9-61.1-16524.100111.6F31 S33Q27-F31 HydrophobicContact CB-CD1 3.6Å; Q27-F31 HydrophobicContact CB-CE1 4.24Å; Q27-F31 HydrophobicContact CB-CG 4.49Å; Q27-F31 HydrophobicContact CG-CD1 4.06Å; Q27-F31 HydrophobicContact CG-CE1 4.22Å; Q27-F31 PolarHBondContact N-O 2.68Å; Q27-S33 PolarHBondContact NE2-OG 2.78Å
28S82.5Confident88.2Confident60 Ų6060.9 Ų60.942%0.4233%0.331SS..EExtended strand (participates in β ladder)trans-158.9172.7168.9700000110.1L26 N30 F31L26-S28 WeakPolarHBondContact CD1-O 3.46Å; S28-N30 PolarHBondContact O-N 2.89Å; S28-F31 PolarHBondContact N-O 3.48Å; S28-F31 VanDerWaalsContact N-O 3.1Å; S28-F31 PolarHBondContact O-N 2.78Å; S28-F31 VanDerWaalsContact OG-CB 3.3Å; S28-F31 WeakPolarHBondContact OG-CB 3.39Å; S28-F31 PolarHBondContact OG-N 2.92Å
29D77Confident87.6Confident137 Ų13764.7 Ų64.773%0.73333%0.333SS*.THydrogen-bonded Turntrans-50.4-30.9-176.8-66.2-7.2000114.7
30N86.4Confident86.9Confident62 Ų6268.4 Ų68.433%0.33235%0.354SS..THydrogen-bonded Turntrans-116.83.7-179.9-65-35.9000113.3R9 S28 T50 L51R9-N30 PolarHBondContact NH1-OD1 3.26Å; S28-N30 PolarHBondContact O-N 2.89Å; N30-T50 CarbonylContact O-C 3.55Å; N30-T50 VanDerWaalsContact O-CA 3.25Å; N30-T50 WeakPolarHBondContact O-CA 3.45Å; N30-L51 PolarHBondContact O-N 2.81Å
31F88.9Confident86.1Confident11 Ų1169.2 Ų69.25%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-127.1122.8-177.9-171-120.8000112Q27 S28 E48 V49 T50 V203Q27-F31 HydrophobicContact CB-CD1 3.6Å; Q27-F31 HydrophobicContact CB-CE1 4.24Å; Q27-F31 HydrophobicContact CB-CG 4.49Å; Q27-F31 HydrophobicContact CG-CD1 4.06Å; Q27-F31 HydrophobicContact CG-CE1 4.22Å; Q27-F31 PolarHBondContact N-O 2.68Å; S28-F31 PolarHBondContact N-O 3.48Å; S28-F31 VanDerWaalsContact N-O 3.1Å; S28-F31 PolarHBondContact O-N 2.78Å; S28-F31 VanDerWaalsContact OG-CB 3.3Å; S28-F31 WeakPolarHBondContact OG-CB 3.39Å; S28-F31 PolarHBondContact OG-N 2.92Å; F31-E48 HydrophobicContact CE2-CB 3.95Å; F31-E48 HydrophobicContact CZ-CB 3.79Å; F31-E48 HydrophobicContact CZ-CG 4.15Å; F31-V49 WeakPolarHBondContact CA-O 3.28Å; F31-V49 WeakPolarHBondContact CD2-O 3.23Å; F31-T50 WeakPolarHBondContact CD2-OG1 3.41Å; F31-V203 HydrophobicContact CD1-CG2 3.99Å; F31-V203 HydrophobicContact CD2-CG2 3.76Å; F31-V203 HydrophobicContact CE1-CB 4.44Å; F31-V203 HydrophobicContact CE1-CG2 3.64Å; F31-V203 HydrophobicContact CE2-CB 4.21Å; F31-V203 HydrophobicContact CE2-CG1 3.81Å; F31-V203 HydrophobicContact CE2-CG2 3.4Å; F31-V203 HydrophobicContact CG-CG2 4.08Å; F31-V203 HydrophobicContact CZ-CB 3.96Å; F31-V203 HydrophobicContact CZ-CG1 3.66Å; F31-V203 HydrophobicContact CZ-CG2 3.37Å
32L92.4Very high85.5Confident4 Ų472.5 Ų72.52%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-133.8149.3-170.8-62.9142000109.3L13 W24 Q25 L26 V49 L51 L95L13-L32 HydrophobicContact CD2-CD1 3.76Å; L13-L32 HydrophobicContact CD2-CD2 3.39Å; L13-L32 HydrophobicContact CD2-CG 4.21Å; W24-L32 HydrophobicContact CE3-CB 3.82Å; W24-L32 HydrophobicContact CZ3-CB 3.62Å; Q25-L32 WeakPolarHBondContact O-CA 3.47Å; L26-L32 HydrophobicContact CB-CD2 4.28Å; L26-L32 HydrophobicContact CD1-CD2 3.39Å; L26-L32 HydrophobicContact CD1-CG 4.03Å; L26-L32 HydrophobicContact CG-CD2 4.45Å; L32-V49 PolarHBondContact N-O 3.04Å; L32-V49 PolarHBondContact O-N 2.8Å; L32-L51 HydrophobicContact CD1-CD1 3.58Å; L32-L51 HydrophobicContact CD1-CD2 4.5Å; L32-L51 HydrophobicContact CD1-CG 3.92Å; L32-L95 HydrophobicContact CD1-CD1 4.11Å
33S92.7Very high85.2Confident5 Ų567.3 Ų67.34%0.03534%0.342CS..EExtended strand (participates in β ladder)trans-128.2132.6169.956.70000111.1W24 Q25 Q27 L47W24-S33 CarbonylContact C-O 3.57Å; W24-S33 WeakPolarHBondContact CA-O 3.44Å; Q25-S33 PolarHBondContact N-O 3.34Å; Q25-S33 PolarHBondContact O-N 2.9Å; Q27-S33 PolarHBondContact NE2-OG 2.78Å; S33-L47 CarbonylContact C-O 3.6Å; S33-L47 WeakPolarHBondContact CA-O 3.44Å
34F94.2Very high85.2Confident0 Ų066.2 Ų66.20%034%0.336CS..EExtended strand (participates in β ladder)trans-109.3128.9171.7-176.7-117.2000109.8F20 Q23 W24 V36 Q46 L47 I102 K103F20-F34 HydrophobicContact CB-CE2 4.31Å; F20-F34 HydrophobicContact CD1-CE2 4.09Å; F20-F34 HydrophobicContact CD1-CZ 4.34Å; F20-F34 HydrophobicContact CG-CE2 4.15Å; Q23-F34 HydrophobicContact CB-CD2 3.97Å; Q23-F34 HydrophobicContact CB-CE2 3.62Å; Q23-F34 VanDerWaalsContact O-CA 3.31Å; Q23-F34 WeakPolarHBondContact O-CA 3.35Å; W24-F34 AromaticContact CD1-CD2 3.46Å; W24-F34 VanDerWaalsContact CD1-CD2 3.46Å; W24-F34 AromaticContact CD1-CE2 3.9Å; W24-F34 HydrophobicContact CD2-CB 3.72Å; W24-F34 AromaticContact CD2-CD2 3.85Å; W24-F34 HydrophobicContact CD2-CD2 3.85Å; W24-F34 HydrophobicContact CD2-CG 4.16Å; W24-F34 AromaticContact CE2-CD2 3.58Å; W24-F34 AromaticContact CE2-CG 3.75Å; W24-F34 HydrophobicContact CE3-CB 3.75Å; W24-F34 HydrophobicContact CG-CB 4.48Å; W24-F34 AromaticContact CG-CD2 3.81Å; W24-F34 HydrophobicContact CG-CD2 3.81Å; W24-F34 HydrophobicContact CH2-CB 3.65Å; W24-F34 HydrophobicContact CH2-CG 4.49Å; W24-F34 HydrophobicContact CZ2-CB 3.59Å; W24-F34 HydrophobicContact CZ2-CD2 4.24Å; W24-F34 AromaticContact CZ2-CG 3.96Å; W24-F34 HydrophobicContact CZ2-CG 3.96Å; W24-F34 HydrophobicContact CZ3-CB 3.71Å; W24-F34 AromaticContact NE1-CD2 3.28Å; W24-F34 VanDerWaalsContact NE1-CD2 3.28Å; W24-F34 AromaticContact NE1-CE2 3.75Å; W24-F34 AromaticContact NE1-CG 3.88Å; F34-V36 HydrophobicContact CD1-CG2 4.36Å; F34-V36 HydrophobicContact CE1-CG2 3.51Å; F34-V36 HydrophobicContact CZ-CG2 3.67Å; F34-Q46 CarbonylContact O-C 3.58Å; F34-Q46 VanDerWaalsContact O-CA 3.3Å; F34-Q46 WeakPolarHBondContact O-CA 3.48Å; F34-L47 HydrophobicContact CB-CB 4.35Å; F34-L47 PolarHBondContact N-O 3.17Å; F34-L47 PolarHBondContact O-N 3.49Å; F34-I102 HydrophobicContact CD1-CB 4.42Å; F34-I102 HydrophobicContact CD1-CD1 4.06Å; F34-I102 HydrophobicContact CD1-CG2 4.16Å; F34-I102 HydrophobicContact CE1-CB 4.03Å; F34-I102 HydrophobicContact CE1-CD1 4.48Å; F34-I102 HydrophobicContact CE1-CG2 3.84Å; F34-K103 HydrophobicContact CE1-CG 4.44Å; F34-K103 HydrophobicContact CZ-CD 4.15Å; F34-K103 HydrophobicContact CZ-CG 4.04Å
35K92.9Very high85.3Confident70 Ų7065.4 Ų65.430%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-132.5127.2179.6-168.4-177.8-171-1660111.7Q23 Q46Q23-K35 PolarHBondContact O-N 3.12Å; K35-Q46 HydrophobicContact CB-CG 4.38Å; K35-Q46 HydrophobicContact CG-CB 4.2Å; K35-Q46 HydrophobicContact CG-CG 4.45Å
36V91.9Very high85.5Confident13 Ų1361.3 Ų61.38%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-111.3125.3167.2-1730000107.7F34 Y44 I45 I102 K103 F106F34-V36 HydrophobicContact CD1-CG2 4.36Å; F34-V36 HydrophobicContact CE1-CG2 3.51Å; F34-V36 HydrophobicContact CZ-CG2 3.67Å; V36-Y44 CarbonylContact O-C 3.55Å; V36-Y44 WeakPolarHBondContact O-CA 3.41Å; V36-Y44 VanDerWaalsContact O-CB 3.31Å; V36-Y44 WeakPolarHBondContact O-CB 3.33Å; V36-I45 PolarHBondContact N-O 2.94Å; V36-I45 PolarHBondContact O-N 3.38Å; V36-I102 HydrophobicContact CG2-CG2 3.93Å; V36-K103 HydrophobicContact CG2-CG 3.73Å; V36-F106 HydrophobicContact CB-CB 4.5Å; V36-F106 HydrophobicContact CB-CD2 4.34Å; V36-F106 HydrophobicContact CB-CG 4.25Å; V36-F106 HydrophobicContact CG1-CB 3.92Å; V36-F106 HydrophobicContact CG1-CD1 3.55Å; V36-F106 HydrophobicContact CG1-CD2 3.98Å; V36-F106 HydrophobicContact CG1-CE1 4.04Å; V36-F106 HydrophobicContact CG1-CE2 4.44Å; V36-F106 HydrophobicContact CG1-CG 3.52Å; V36-F106 HydrophobicContact CG1-CZ 4.47Å
37Q89Confident86Confident87 Ų8756.3 Ų56.341%0.40729%0.287SS..EExtended strand (participates in β ladder)trans-138.6144.5-174.2-179.8170.77.800110.1S41 L43Q37-S41 PolarHBondContact NE2-O 3.08Å; Q37-L43 WeakPolarHBondContact CG-O 3.5Å
38K82.5Confident86.5Confident70 Ų7052.1 Ų52.130%0.30427%0.267SS..  trans-74.7133.5173.2172.8-174.7-173.2175.50109N40 S41 L43 F106 F110K38-N40 PolarHBondContact O-N 3.03Å; K38-S41 PolarHBondContact O-N 3.31Å; K38-S41 VanDerWaalsContact O-N 3.11Å; K38-L43 PolarHBondContact N-O 3.46Å; K38-F106 HydrophobicContact CB-CE1 4.48Å; K38-F106 HydrophobicContact CB-CZ 3.9Å; K38-F106 VanDerWaalsContact N-CZ 3.33Å; K38-F110 HydrophobicContact CD-CD2 4.18Å; K38-F110 HydrophobicContact CD-CE2 3.32Å; K38-F110 HydrophobicContact CD-CZ 3.73Å; K38-F110 HydrophobicContact CG-CE2 4.18Å; K38-F110 HydrophobicContact CG-CZ 4.36Å
39E79.8Confident87Confident168 Ų16849.2 Ų49.279%0.78525%0.247SC*.THydrogen-bonded Turntrans-53.1130.5175.1-67.9-173.3173.600111.3S41E39-S41 PolarHBondContact O-N 3.45Å
40N76Confident87.8Confident174 Ų17445.4 Ų45.493%0.9323%0.229SC*.THydrogen-bonded Turntrans58.629.2-179.8-52.1-53000114.8K38K38-N40 PolarHBondContact O-N 3.03Å
41S73.4Confident88.1Confident29 Ų2942.6 Ų42.620%0.20321%0.214CC..SBendtrans-137.9148178.5-178.30000111.7Q37 K38 E39 L43Q37-S41 PolarHBondContact NE2-O 3.08Å; K38-S41 PolarHBondContact O-N 3.31Å; K38-S41 VanDerWaalsContact O-N 3.11Å; E39-S41 PolarHBondContact O-N 3.45Å; S41-L43 PolarHBondContact O-N 2.96Å; S41-L43 WeakPolarHBondContact OG-CG 3.46Å; S41-L43 PolarHBondContact OG-N 3.36Å
42D73.7Confident88.1Confident108 Ų10843.6 Ų43.658%0.57822%0.221SC*.SBendtrans-78.14.7173.4-59.8-33.1000112.6Y44 P68D42-Y44 VanDerWaalsContact O-CD1 3.24Å; D42-Y44 WeakPolarHBondContact O-CD1 3.42Å; D42-P68 WeakPolarHBondContact O-CG 3.28Å
43L80.5Confident88Confident22 Ų2250.2 Ų50.212%0.11525%0.252CS..  trans-82.2118.2176.9-60.3179.7000110.7Q37 K38 S41 Y69Q37-L43 WeakPolarHBondContact CG-O 3.5Å; K38-L43 PolarHBondContact N-O 3.46Å; S41-L43 PolarHBondContact O-N 2.96Å; S41-L43 WeakPolarHBondContact OG-CG 3.46Å; S41-L43 PolarHBondContact OG-N 3.36Å; L43-Y69 HydrophobicContact CB-CD2 4.05Å; L43-Y69 HydrophobicContact CB-CG 4.32Å; L43-Y69 HydrophobicContact CD1-CD2 3.79Å; L43-Y69 HydrophobicContact CD1-CE2 3.83Å; L43-Y69 HydrophobicContact CD2-CD2 3.85Å; L43-Y69 HydrophobicContact CG-CD2 4.09Å
44Y88.3Confident87.8Confident33 Ų3353.2 Ų53.213%0.12927%0.268CS..EExtended strand (participates in β ladder)trans-145.7162.2179.967.1-94000112.2V36 D42 Q46 S67 P68V36-Y44 CarbonylContact O-C 3.55Å; V36-Y44 WeakPolarHBondContact O-CA 3.41Å; V36-Y44 VanDerWaalsContact O-CB 3.31Å; V36-Y44 WeakPolarHBondContact O-CB 3.33Å; D42-Y44 VanDerWaalsContact O-CD1 3.24Å; D42-Y44 WeakPolarHBondContact O-CD1 3.42Å; Y44-Q46 HydrophobicContact CD2-CB 3.68Å; Y44-Q46 HydrophobicContact CE2-CB 3.73Å; Y44-S67 WeakPolarHBondContact O-CB 3.45Å; Y44-S67 PolarHBondContact O-OG 3.35Å; Y44-P68 HydrophobicContact CD1-CG 3.74Å; Y44-P68 VanDerWaalsContact CE1-CD 3.49Å; Y44-P68 HydrophobicContact CE1-CG 3.59Å; Y44-P68 HydrophobicContact CG-CG 4.33Å; Y44-P68 VanDerWaalsContact CZ-CD 3.44Å; Y44-P68 WeakPolarHBondContact O-CD 3.44Å
45I92.7Very high87.7Confident0 Ų053.2 Ų53.20%027%0.268CS..EExtended strand (participates in β ladder)trans-119.3126.2158.2-61.4169.5000106.5V36 L65 S67 L70 L78 I102 T105 F106V36-I45 PolarHBondContact N-O 2.94Å; V36-I45 PolarHBondContact O-N 3.38Å; I45-L65 HydrophobicContact CG2-CD1 3.73Å; I45-S67 WeakPolarHBondContact CG1-OG 3.38Å; I45-L70 HydrophobicContact CD1-CD1 3.86Å; I45-L70 HydrophobicContact CD1-CD2 4.3Å; I45-L70 HydrophobicContact CD1-CG 4.15Å; I45-L70 HydrophobicContact CG1-CD1 4.09Å; I45-L70 HydrophobicContact CG1-CG 4.22Å; I45-L78 HydrophobicContact CD1-CD2 4.49Å; I45-L78 HydrophobicContact CG2-CD2 4.08Å; I45-I102 HydrophobicContact CB-CG2 4.08Å; I45-I102 HydrophobicContact CG2-CG2 3.69Å; I45-T105 HydrophobicContact CD1-CG2 4.37Å; I45-F106 HydrophobicContact CB-CD2 4.47Å; I45-F106 HydrophobicContact CD1-CB 4.01Å; I45-F106 HydrophobicContact CD1-CD2 3.94Å; I45-F106 HydrophobicContact CG1-CD2 3.99Å
46Q93.1Very high87.5Confident28 Ų2849.9 Ų49.913%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-125.2133.4179.9-178.3170.5-34.100109.9F34 K35 Y44 E48 S66F34-Q46 CarbonylContact O-C 3.58Å; F34-Q46 VanDerWaalsContact O-CA 3.3Å; F34-Q46 WeakPolarHBondContact O-CA 3.48Å; K35-Q46 HydrophobicContact CB-CG 4.38Å; K35-Q46 HydrophobicContact CG-CB 4.2Å; K35-Q46 HydrophobicContact CG-CG 4.45Å; Y44-Q46 HydrophobicContact CD2-CB 3.68Å; Y44-Q46 HydrophobicContact CE2-CB 3.73Å; Q46-E48 HydrophobicContact CG-CG 4.43Å; Q46-E48 PolarHBondContact NE2-OE1 3Å; Q46-E48 VanDerWaalsContact NE2-OE1 3.07Å; Q46-S66 PolarHBondContact N-O 3.33Å; Q46-S66 PolarHBondContact O-N 3.27Å
47L94.6Very high87.4Confident1 Ų151 Ų511%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-115.9116.2173.7-166.478.1000108.6S33 F34 V49 Y63 L65 L82 W98 I102S33-L47 CarbonylContact C-O 3.6Å; S33-L47 WeakPolarHBondContact CA-O 3.44Å; F34-L47 HydrophobicContact CB-CB 4.35Å; F34-L47 PolarHBondContact N-O 3.17Å; F34-L47 PolarHBondContact O-N 3.49Å; L47-V49 HydrophobicContact CD2-CG2 3.45Å; L47-V49 VanDerWaalsContact CD2-CG2 3.45Å; L47-V49 HydrophobicContact CG-CG2 3.65Å; L47-Y63 HydrophobicContact CD1-CD2 3.45Å; L47-Y63 VanDerWaalsContact CD1-CD2 3.45Å; L47-Y63 HydrophobicContact CD1-CE2 4.22Å; L47-Y63 HydrophobicContact CD1-CG 3.93Å; L47-L65 HydrophobicContact CD1-CB 4.38Å; L47-L65 HydrophobicContact CD1-CD1 4.1Å; L47-L82 HydrophobicContact CD1-CD1 3.92Å; L47-W98 HydrophobicContact CD2-CD2 4.49Å; L47-W98 HydrophobicContact CD2-CE3 3.58Å; L47-W98 HydrophobicContact CD2-CZ3 4.13Å; L47-I102 HydrophobicContact CB-CD1 3.8Å; L47-I102 HydrophobicContact CD1-CD1 4.3Å; L47-I102 HydrophobicContact CD2-CD1 3.83Å; L47-I102 HydrophobicContact CG-CD1 4.2Å
48E93.4Very high87.2Confident12 Ų1252.4 Ų52.46%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-97.7125.3169.8-68.1-171.8163.700108.6F31 Q46 Y63 V64 V203F31-E48 HydrophobicContact CE2-CB 3.95Å; F31-E48 HydrophobicContact CZ-CB 3.79Å; F31-E48 HydrophobicContact CZ-CG 4.15Å; Q46-E48 HydrophobicContact CG-CG 4.43Å; Q46-E48 PolarHBondContact NE2-OE1 3Å; Q46-E48 VanDerWaalsContact NE2-OE1 3.07Å; E48-Y63 CarbonylContact O-C 3.6Å; E48-Y63 WeakPolarHBondContact O-CA 3.39Å; E48-Y63 WeakPolarHBondContact O-CB 3.44Å; E48-V64 HydrophobicContact CB-CB 4.38Å; E48-V64 PolarHBondContact N-O 2.64Å; E48-V64 PolarHBondContact O-N 2.81Å; E48-V203 WeakPolarHBondContact OE2-CG1 3.27Å
49V94Very high87.4Confident0 Ų049.8 Ų49.80%026%0.262CS..EExtended strand (participates in β ladder)trans-126.3127.4-168.7-177.80000110.6W24 F31 L32 L47 L51 P61 V62 L95 W98W24-V49 HydrophobicContact CH2-CG2 3.99Å; W24-V49 HydrophobicContact CZ3-CG2 4.25Å; F31-V49 WeakPolarHBondContact CA-O 3.28Å; F31-V49 WeakPolarHBondContact CD2-O 3.23Å; L32-V49 PolarHBondContact N-O 3.04Å; L32-V49 PolarHBondContact O-N 2.8Å; L47-V49 HydrophobicContact CD2-CG2 3.45Å; L47-V49 VanDerWaalsContact CD2-CG2 3.45Å; L47-V49 HydrophobicContact CG-CG2 3.65Å; V49-L51 HydrophobicContact CG1-CD2 3.75Å; V49-P61 HydrophobicContact CG1-CB 3.5Å; V49-P61 VanDerWaalsContact CG1-CB 3.5Å; V49-V62 CarbonylContact C-O 3.23Å; V49-V62 WeakPolarHBondContact CA-O 3.38Å; V49-L95 HydrophobicContact CG1-CD2 3.97Å; V49-L95 HydrophobicContact CG2-CD2 4.49Å; V49-W98 HydrophobicContact CG2-CZ3 4.37Å
50T93.3Very high87.9Confident56 Ų5644.3 Ų44.334%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-106.3127.9168.6-57.10000109.3N30 F31 P52 V62N30-T50 CarbonylContact O-C 3.55Å; N30-T50 VanDerWaalsContact O-CA 3.25Å; N30-T50 WeakPolarHBondContact O-CA 3.45Å; F31-T50 WeakPolarHBondContact CD2-OG1 3.41Å; T50-P52 WeakPolarHBondContact O-CD 3.25Å; T50-V62 PolarHBondContact N-O 2.91Å; T50-V62 PolarHBondContact O-N 2.78Å
51L91.8Very high88.7Confident3 Ų336.2 Ų36.22%0.01620%0.199CC..  trans-96.2111.6179.1-57.6-174.7000110.9R9 N30 L32 V49 Y55 P61 L95R9-L51 HydrophobicContact CG-CD1 4.3Å; N30-L51 PolarHBondContact O-N 2.81Å; L32-L51 HydrophobicContact CD1-CD1 3.58Å; L32-L51 HydrophobicContact CD1-CD2 4.5Å; L32-L51 HydrophobicContact CD1-CG 3.92Å; V49-L51 HydrophobicContact CG1-CD2 3.75Å; L51-Y55 HydrophobicContact CB-CD1 4.32Å; L51-Y55 HydrophobicContact CD1-CD1 4.28Å; L51-Y55 HydrophobicContact CD1-CE1 4.23Å; L51-Y55 HydrophobicContact CD2-CD1 3.88Å; L51-Y55 HydrophobicContact CD2-CE1 3.88Å; L51-Y55 HydrophobicContact CD2-CG 4.37Å; L51-Y55 HydrophobicContact CG-CD1 4.39Å; L51-P61 HydrophobicContact CD2-CB 3.87Å; L51-P61 HydrophobicContact CD2-CG 4.13Å; L51-L95 HydrophobicContact CD2-CD1 4.26Å
52P90.8Very high89.6Confident32 Ų3239.1 Ų39.121%0.20822%0.215CC..  trans-61.7157171.9-24.136.2000112.7R9 T50 D54 Y55 A59 P60 V62R9-P52 PolarHBondContact NH1-O 3.15Å; R9-P52 PolarHBondContact NH2-O 2.99Å; T50-P52 WeakPolarHBondContact O-CD 3.25Å; P52-D54 WeakPolarHBondContact CB-OD1 3.05Å; P52-D54 PolarHBondContact O-N 3.03Å; P52-D54 VanDerWaalsContact O-N 3.13Å; P52-Y55 WeakPolarHBondContact O-CB 3.3Å; P52-Y55 PolarHBondContact O-N 3.02Å; P52-Y55 VanDerWaalsContact O-N 3.13Å; P52-A59 HydrophobicContact CB-CB 4.31Å; P52-A59 HydrophobicContact CG-CB 4.42Å; P52-P60 WeakPolarHBondContact CG-O 3.47Å; P52-V62 HydrophobicContact CG-CG2 4.26Å
53E88.7Confident90.6Very high143 Ų14336.2 Ų36.267%0.66820%0.196SC*.THydrogen-bonded Turntrans-61.5-21.4178.5-71-175.4173.700113.9N5 R9N5-E53 PolarHBondContact ND2-O 3Å; R9-E53 VanDerWaalsContact NH2-CA 3.33Å; R9-E53 PolarHBondContact NH2-O 3.19Å
54D89.9Confident91.1Very high68 Ų6836 Ų3636%0.36420%0.196SC..THydrogen-bonded Turntrans-100.7-2-178.158.1-25.4000113.6N5 P52 C57 L58 A59N5-D54 VanDerWaalsContact ND2-CA 3.29Å; N5-D54 WeakPolarHBondContact ND2-CA 3.11Å; N5-D54 PolarHBondContact ND2-O 2.91Å; P52-D54 WeakPolarHBondContact CB-OD1 3.05Å; P52-D54 PolarHBondContact O-N 3.03Å; P52-D54 VanDerWaalsContact O-N 3.13Å; D54-C57 PolarHBondContact O-N 3.31Å; D54-L58 HydrophobicContact CB-CB 4.09Å; D54-L58 HydrophobicContact CB-CD1 4.41Å; D54-L58 PolarHBondContact O-N 3.07Å; D54-A59 VanDerWaalsContact CG-CB 3.5Å; D54-A59 WeakPolarHBondContact OD1-CB 3.34Å; D54-A59 WeakPolarHBondContact OD2-CB 3.44Å
55Y91Very high91.3Very high0 Ų035 Ų350%019%0.192CC..THydrogen-bonded Turntrans-72.1139.9165.7171.6-94.6000111.8N5 R9 E12 L51 P52 A59 P61 P93 V94N5-Y55 VanDerWaalsContact CB-O 3.28Å; N5-Y55 WeakPolarHBondContact CB-O 3.43Å; N5-Y55 PolarHBondContact ND2-O 3.25Å; N5-Y55 PolarHBondContact OD1-O 3.18Å; R9-Y55 HydrophobicContact CG-CD1 3.87Å; R9-Y55 HydrophobicContact CG-CE1 4.05Å; R9-Y55 VanDerWaalsContact CZ-O 3.31Å; R9-Y55 PolarHBondContact NE-O 3.4Å; R9-Y55 PolarHBondContact NH2-O 2.65Å; E12-Y55 PolarHBondContact OE1-OH 3.18Å; E12-Y55 VanDerWaalsContact OE2-CE1 3.3Å; E12-Y55 WeakPolarHBondContact OE2-CE1 3.33Å; E12-Y55 PolarHBondContact OE2-OH 3.48Å; L51-Y55 HydrophobicContact CB-CD1 4.32Å; L51-Y55 HydrophobicContact CD1-CD1 4.28Å; L51-Y55 HydrophobicContact CD1-CE1 4.23Å; L51-Y55 HydrophobicContact CD2-CD1 3.88Å; L51-Y55 HydrophobicContact CD2-CE1 3.88Å; L51-Y55 HydrophobicContact CD2-CG 4.37Å; L51-Y55 HydrophobicContact CG-CD1 4.39Å; P52-Y55 WeakPolarHBondContact O-CB 3.3Å; P52-Y55 PolarHBondContact O-N 3.02Å; P52-Y55 VanDerWaalsContact O-N 3.13Å; Y55-A59 WeakPolarHBondContact CA-O 3.22Å; Y55-A59 WeakPolarHBondContact CD2-O 3.37Å; Y55-P61 HydrophobicContact CD2-CG 3.72Å; Y55-P61 HydrophobicContact CE2-CG 3.42Å; Y55-P61 VanDerWaalsContact CE2-CG 3.42Å; Y55-P93 VanDerWaalsContact OH-CA 3.24Å; Y55-P93 WeakPolarHBondContact OH-CA 3.44Å; Y55-V94 HydrophobicContact CE2-CG1 4.16Å; Y55-V94 PolarHBondContact OH-N 2.97Å
56P89.8Confident91.1Very high0 Ų035 Ų350%019%0.192CC..THydrogen-bonded Turncis-89.4-9.60.833.6-37000115.5N5 L8 L58 G91 Q92 P93N5-P56 WeakPolarHBondContact OD1-CD 3.29Å; L8-P56 HydrophobicContact CB-CG 4.06Å; L8-P56 HydrophobicContact CD1-CG 3.84Å; P56-L58 PolarHBondContact O-N 3.05Å; P56-G91 CarbonylContact O-C 3.57Å; P56-G91 VanDerWaalsContact O-CA 3.28Å; P56-G91 WeakPolarHBondContact O-CA 3.39Å; P56-Q92 VanDerWaalsContact CB-C 3.41Å; P56-Q92 WeakPolarHBondContact CB-O 3.44Å; P56-P93 HydrophobicContact CG-CG 4.09Å
57C88.5Confident90.9Very high38 Ų3833.6 Ų33.626%0.25719%0.186SC..THydrogen-bonded Turntrans-66.7-35.9-167.7-71.60000114.8N5 D54N5-C57 VanDerWaalsContact OD1-CB 3.28Å; N5-C57 WeakPolarHBondContact OD1-CB 3.33Å; N5-C57 PolarHBondContact OD1-N 2.88Å; N5-C57 PolarHBondContact OD1-SG 3.46Å; D54-C57 PolarHBondContact O-N 3.31Å
58L85.7Confident90.2Very high116 Ų11634.1 Ų34.161%0.60719%0.189SC*.THydrogen-bonded Turntrans-128.2-20.1-169.5-58.6173.5000114.6M1 D54 P56M1-L58 HydrophobicContact SD-CD1 4.33Å; D54-L58 HydrophobicContact CB-CB 4.09Å; D54-L58 HydrophobicContact CB-CD1 4.41Å; D54-L58 PolarHBondContact O-N 3.07Å; P56-L58 PolarHBondContact O-N 3.05Å
59A87Confident89.5Confident14 Ų1434 Ų3412%0.11619%0.188CC..  trans-135147.6-178.100000111.7P52 D54 Y55P52-A59 HydrophobicContact CB-CB 4.31Å; P52-A59 HydrophobicContact CG-CB 4.42Å; D54-A59 VanDerWaalsContact CG-CB 3.5Å; D54-A59 WeakPolarHBondContact OD1-CB 3.34Å; D54-A59 WeakPolarHBondContact OD2-CB 3.44Å; Y55-A59 WeakPolarHBondContact CA-O 3.22Å; Y55-A59 WeakPolarHBondContact CD2-O 3.37Å
60P90.2Very high89.1Confident54 Ų5434.3 Ų34.335%0.35119%0.19SC..PPolyproline II helixtrans-73.3161.9170.329.7-32.7000111.6P52 Y86P52-P60 WeakPolarHBondContact CG-O 3.47Å; P60-Y86 VanDerWaalsContact CA-CE2 3.45Å; P60-Y86 HydrophobicContact CB-CD1 3.86Å; P60-Y86 HydrophobicContact CB-CD2 3.75Å; P60-Y86 HydrophobicContact CB-CE1 3.71Å; P60-Y86 HydrophobicContact CB-CE2 3.6Å; P60-Y86 HydrophobicContact CB-CG 3.87Å; P60-Y86 WeakPolarHBondContact CD-OH 3.27Å; P60-Y86 HydrophobicContact CG-CE1 4.07Å
61P92.7Very high88.6Confident4 Ų435 Ų353%0.02619%0.192CC..PPolyproline II helixtrans-59142.9161.9-16.330.2000111V49 L51 Y55 V94 L95 W98V49-P61 HydrophobicContact CG1-CB 3.5Å; V49-P61 VanDerWaalsContact CG1-CB 3.5Å; L51-P61 HydrophobicContact CD2-CB 3.87Å; L51-P61 HydrophobicContact CD2-CG 4.13Å; Y55-P61 HydrophobicContact CD2-CG 3.72Å; Y55-P61 HydrophobicContact CE2-CG 3.42Å; Y55-P61 VanDerWaalsContact CE2-CG 3.42Å; P61-V94 HydrophobicContact CG-CG1 3.75Å; P61-L95 HydrophobicContact CB-CD2 4.31Å; P61-L95 HydrophobicContact CG-CD2 3.92Å; P61-W98 HydrophobicContact CB-CH2 3.76Å; P61-W98 HydrophobicContact CB-CZ3 3.72Å; P61-W98 HydrophobicContact CG-CH2 3.89Å; P61-W98 HydrophobicContact CG-CZ2 4.48Å; P61-W98 HydrophobicContact CG-CZ3 3.98Å
62V92.5Very high88.1Confident90 Ų9037.1 Ų37.155%0.54521%0.207SC..EExtended strand (participates in β ladder)trans-91.6134.2168.8178.80000107.7V49 T50 P52V49-V62 CarbonylContact C-O 3.23Å; V49-V62 WeakPolarHBondContact CA-O 3.38Å; T50-V62 PolarHBondContact N-O 2.91Å; T50-V62 PolarHBondContact O-N 2.78Å; P52-V62 HydrophobicContact CG-CG2 4.26Å
63Y93.7Very high87.8Confident47 Ų4744 Ų4418%0.18423%0.228CC..EExtended strand (participates in β ladder)trans-138.3158.3-175.169-87.8000114.6L47 E48 L65 C79 L82 W98L47-Y63 HydrophobicContact CD1-CD2 3.45Å; L47-Y63 VanDerWaalsContact CD1-CD2 3.45Å; L47-Y63 HydrophobicContact CD1-CE2 4.22Å; L47-Y63 HydrophobicContact CD1-CG 3.93Å; E48-Y63 CarbonylContact O-C 3.6Å; E48-Y63 WeakPolarHBondContact O-CA 3.39Å; E48-Y63 WeakPolarHBondContact O-CB 3.44Å; Y63-L65 HydrophobicContact CD2-CB 4.49Å; Y63-L65 HydrophobicContact CE2-CB 4.47Å; Y63-C79 WeakPolarHBondContact OH-CB 3.37Å; Y63-L82 HydrophobicContact CD2-CD1 4.47Å; Y63-L82 HydrophobicContact CE2-CD1 3.99Å; Y63-W98 AromaticContact CD1-CH2 3.36Å; Y63-W98 HydrophobicContact CD1-CH2 3.36Å; Y63-W98 HydrophobicContact CD1-CZ2 4.26Å; Y63-W98 AromaticContact CD1-CZ3 3.69Å; Y63-W98 HydrophobicContact CD1-CZ3 3.69Å; Y63-W98 AromaticContact CE1-CH2 3.79Å; Y63-W98 HydrophobicContact CE1-CH2 3.79Å; Y63-W98 HydrophobicContact CE1-CZ2 4.25Å; Y63-W98 HydrophobicContact CE1-CZ3 4.41Å; Y63-W98 HydrophobicContact CG-CH2 4.2Å; Y63-W98 HydrophobicContact CG-CZ3 4.07Å
64V91.1Very high87.9Confident17 Ų1739.9 Ų39.910%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-121.7118.3167.2-178.60000107.9E48 I205E48-V64 HydrophobicContact CB-CB 4.38Å; E48-V64 PolarHBondContact N-O 2.64Å; E48-V64 PolarHBondContact O-N 2.81Å; V64-I205 HydrophobicContact CG1-CG2 4.43Å; V64-I205 HydrophobicContact CG2-CG1 4.24Å
65L92.5Very high87.9Confident11 Ų1137.3 Ų37.36%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-89.6124.6171.5-176.871.5000109.1I45 L47 Y63 K75 L78I45-L65 HydrophobicContact CG2-CD1 3.73Å; L47-L65 HydrophobicContact CD1-CB 4.38Å; L47-L65 HydrophobicContact CD1-CD1 4.1Å; Y63-L65 HydrophobicContact CD2-CB 4.49Å; Y63-L65 HydrophobicContact CE2-CB 4.47Å; L65-K75 HydrophobicContact CD2-CB 4.14Å; L65-K75 HydrophobicContact CD2-CG 4.1Å; L65-L78 HydrophobicContact CD1-CD2 3.89Å; L65-L78 HydrophobicContact CD2-CB 4.29Å; L65-L78 HydrophobicContact CD2-CD2 3.86Å; L65-L78 HydrophobicContact CD2-CG 4.12Å
66S89Confident87.9Confident0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-122.8126.9174.1-610000109.2Q46 Q206Q46-S66 PolarHBondContact N-O 3.33Å; Q46-S66 PolarHBondContact O-N 3.27Å; S66-Q206 PolarHBondContact OG-O 3.07Å; S66-Q206 VanDerWaalsContact OG-O 3.07Å
67S88.2Confident88Confident0 Ų047.6 Ų47.60%025%0.245CC..  trans-154.6120.8173.4-175.40000111.1Y44 I45 Y69 L70 K75Y44-S67 WeakPolarHBondContact O-CB 3.45Å; Y44-S67 PolarHBondContact O-OG 3.35Å; I45-S67 WeakPolarHBondContact CG1-OG 3.38Å; S67-Y69 PolarHBondContact O-N 3.03Å; S67-Y69 WeakPolarHBondContact OG-CA 3.48Å; S67-Y69 WeakPolarHBondContact OG-CB 3.42Å; S67-Y69 PolarHBondContact OG-N 2.94Å; S67-L70 PolarHBondContact OG-N 2.76Å; S67-K75 WeakPolarHBondContact O-CE 3.45Å; S67-K75 PolarHBondContact O-NZ 2.88Å
68P81Confident88.4Confident11 Ų1145.9 Ų45.97%0.07123%0.233CC..SBendtrans-71-11.3163.130.5-36.3000112.5D42 Y44D42-P68 WeakPolarHBondContact O-CG 3.28Å; Y44-P68 HydrophobicContact CD1-CG 3.74Å; Y44-P68 VanDerWaalsContact CE1-CD 3.49Å; Y44-P68 HydrophobicContact CE1-CG 3.59Å; Y44-P68 HydrophobicContact CG-CG 4.33Å; Y44-P68 VanDerWaalsContact CZ-CD 3.44Å; Y44-P68 WeakPolarHBondContact O-CD 3.44Å
69Y79.1Confident88.8Confident10 Ų1041.8 Ų41.84%0.03921%0.214CC..SBendtrans-92.7-18-172.3-169.8-130.1000112.7L43 S67 F106 K109 F110 Y113L43-Y69 HydrophobicContact CB-CD2 4.05Å; L43-Y69 HydrophobicContact CB-CG 4.32Å; L43-Y69 HydrophobicContact CD1-CD2 3.79Å; L43-Y69 HydrophobicContact CD1-CE2 3.83Å; L43-Y69 HydrophobicContact CD2-CD2 3.85Å; L43-Y69 HydrophobicContact CG-CD2 4.09Å; S67-Y69 PolarHBondContact O-N 3.03Å; S67-Y69 WeakPolarHBondContact OG-CA 3.48Å; S67-Y69 WeakPolarHBondContact OG-CB 3.42Å; S67-Y69 PolarHBondContact OG-N 2.94Å; Y69-F106 HydrophobicContact CD1-CD2 4.19Å; Y69-F106 HydrophobicContact CD1-CE2 4.17Å; Y69-F106 HydrophobicContact CE1-CD2 4.46Å; Y69-F106 HydrophobicContact CE1-CE2 4.47Å; Y69-K109 HydrophobicContact CD1-CB 4.48Å; Y69-K109 HydrophobicContact CD1-CD 4.05Å; Y69-K109 HydrophobicContact CD1-CG 4.4Å; Y69-K109 HydrophobicContact CE1-CB 3.63Å; Y69-K109 HydrophobicContact CE1-CD 3.8Å; Y69-K109 HydrophobicContact CE1-CG 3.66Å; Y69-K109 HydrophobicContact CE2-CD 4.47Å; Y69-K109 HydrophobicContact CE2-CG 4.44Å; Y69-K109 WeakPolarHBondContact O-CD 3.4Å; Y69-K109 WeakPolarHBondContact O-CE 3.25Å; Y69-K109 PolarHBondContact O-NZ 2.8Å; Y69-K109 PolarHBondContact OH-O 2.85Å; Y69-F110 WeakPolarHBondContact OH-CA 3.45Å; Y69-F110 PolarHBondContact OH-N 3.05Å; Y69-Y113 HydrophobicContact CE2-CD2 4.11Å; Y69-Y113 HydrophobicContact CE2-CG 4.31Å; Y69-Y113 VanDerWaalsContact OH-CB 3.31Å; Y69-Y113 WeakPolarHBondContact OH-CB 3.42Å
70L85Confident89.2Confident7 Ų743.6 Ų43.64%0.03723%0.229CC..SBendtrans-112.3135.8179.9-58.7180000110.2I45 S67 E74 K75 L78 T105 K109I45-L70 HydrophobicContact CD1-CD1 3.86Å; I45-L70 HydrophobicContact CD1-CD2 4.3Å; I45-L70 HydrophobicContact CD1-CG 4.15Å; I45-L70 HydrophobicContact CG1-CD1 4.09Å; I45-L70 HydrophobicContact CG1-CG 4.22Å; S67-L70 PolarHBondContact OG-N 2.76Å; L70-E74 WeakPolarHBondContact CA-OE2 3.41Å; L70-E74 HydrophobicContact CB-CB 4.11Å; L70-E74 HydrophobicContact CD2-CB 4.09Å; L70-K75 HydrophobicContact CB-CG 3.7Å; L70-K75 HydrophobicContact CD1-CG 4.32Å; L70-K75 WeakPolarHBondContact O-CE 3.4Å; L70-K75 PolarHBondContact O-NZ 3.46Å; L70-L78 HydrophobicContact CD1-CB 4.49Å; L70-L78 HydrophobicContact CD1-CD2 3.61Å; L70-T105 HydrophobicContact CD2-CG2 4.49Å; L70-K109 HydrophobicContact CD2-CD 3.45Å; L70-K109 VanDerWaalsContact CD2-CD 3.45Å
71D83.2Confident89.5Confident70 Ų7044.3 Ų44.337%0.37423%0.226SC..  trans-73.2173.8167.173.235.3000110.9R73 E74 K75D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.16Å; D71-R73 WeakPolarHBondContact OD1-CA 3.48Å; D71-R73 WeakPolarHBondContact OD1-CB 3.41Å; D71-R73 PolarHBondContact OD1-N 3.29Å; D71-E74 PolarHBondContact N-OE2 3.01Å; D71-E74 PolarHBondContact O-N 3.09Å; D71-E74 WeakPolarHBondContact OD1-CG 3.39Å; D71-E74 PolarHBondContact OD1-N 3.4Å; D71-K75 WeakPolarHBondContact O-CG 3.3Å; D71-K75 PolarHBondContact O-N 3.01Å
72S80.7Confident89.6Confident47 Ų4744.1 Ų44.133%0.32923%0.225SC..Hα-helixtrans-56.8-40-179.1-69.60000113.1E76 D209S72-E76 WeakPolarHBondContact O-CG 3.31Å; S72-E76 PolarHBondContact O-N 2.86Å; S72-E76 VanDerWaalsContact O-N 3.08Å; S72-D209 PolarHBondContact OG-OD2 3.29Å
73R84.9Confident89.7Confident177 Ų17745.2 Ų45.267%0.66822%0.224SC*.Hα-helixtrans-72.7-40.1-178.2-179.4-178.7177.4-175.8-2.8111.7D71 K75 E76 I77D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.16Å; D71-R73 WeakPolarHBondContact OD1-CA 3.48Å; D71-R73 WeakPolarHBondContact OD1-CB 3.41Å; D71-R73 PolarHBondContact OD1-N 3.29Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-E76 WeakPolarHBondContact O-CB 3.05Å; R73-E76 PolarHBondContact O-N 3.01Å; R73-I77 HydrophobicContact CG-CD1 4.25Å; R73-I77 WeakPolarHBondContact O-CG1 3.44Å; R73-I77 PolarHBondContact O-N 3.43Å
74E89.7Confident89.7Confident57 Ų5748.7 Ų48.727%0.26624%0.242SC..Hα-helixtrans-69.7-35.2178.2-64.9164126.800111.5L70 D71 I77 L78 K109L70-E74 WeakPolarHBondContact CA-OE2 3.41Å; L70-E74 HydrophobicContact CB-CB 4.11Å; L70-E74 HydrophobicContact CD2-CB 4.09Å; D71-E74 PolarHBondContact N-OE2 3.01Å; D71-E74 PolarHBondContact O-N 3.09Å; D71-E74 WeakPolarHBondContact OD1-CG 3.39Å; D71-E74 PolarHBondContact OD1-N 3.4Å; E74-I77 PolarHBondContact O-N 3.25Å; E74-L78 WeakPolarHBondContact O-CB 3.45Å; E74-L78 PolarHBondContact O-N 2.89Å; E74-K109 WeakPolarHBondContact OE1-CD 3.12Å; E74-K109 WeakPolarHBondContact OE1-CE 3.19Å; E74-K109 IonicContact OE1-NZ 3.87Å; E74-K109 PolarHBondContact OE1-NZ 3.26Å; E74-K109 IonicContact OE2-NZ 3.21Å; E74-K109 PolarHBondContact OE2-NZ 3.33Å
75K90.1Very high89.9Confident13 Ų1348.3 Ų48.36%0.05724%0.241CC..Hα-helixtrans-61-45.5169.8-73.7171.6-176.4160.80111.4L65 S67 L70 D71 R73 I77 L78 C79 D207 C208L65-K75 HydrophobicContact CD2-CB 4.14Å; L65-K75 HydrophobicContact CD2-CG 4.1Å; S67-K75 WeakPolarHBondContact O-CE 3.45Å; S67-K75 PolarHBondContact O-NZ 2.88Å; L70-K75 HydrophobicContact CB-CG 3.7Å; L70-K75 HydrophobicContact CD1-CG 4.32Å; L70-K75 WeakPolarHBondContact O-CE 3.4Å; L70-K75 PolarHBondContact O-NZ 3.46Å; D71-K75 WeakPolarHBondContact O-CG 3.3Å; D71-K75 PolarHBondContact O-N 3.01Å; R73-K75 VanDerWaalsContact C-N 3.34Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 2.84Å; K75-L78 PolarHBondContact O-N 2.93Å; K75-C79 WeakPolarHBondContact O-CB 3.43Å; K75-C79 PolarHBondContact O-N 3.08Å; K75-C79 PolarHBondContact O-SG 3.24Å; K75-D207 WeakPolarHBondContact CE-OD1 3.24Å; K75-D207 IonicContact NZ-OD1 2.64Å; K75-D207 PolarHBondContact NZ-OD1 2.85Å; K75-D207 IonicContact NZ-OD2 3.55Å; K75-D207 PolarHBondContact NZ-OD2 3.16Å; K75-C208 PolarHBondContact NZ-O 3.43Å
76E90.7Very high89.8Confident131 Ų13149.5 Ų49.561%0.61225%0.245SC*.Hα-helixtrans-57.8-44.4175.4-75.1173.2-17500111.8S72 R73 C79 A80S72-E76 WeakPolarHBondContact O-CG 3.31Å; S72-E76 PolarHBondContact O-N 2.86Å; S72-E76 VanDerWaalsContact O-N 3.08Å; R73-E76 WeakPolarHBondContact O-CB 3.05Å; R73-E76 PolarHBondContact O-N 3.01Å; E76-C79 PolarHBondContact O-N 3.35Å; E76-A80 WeakPolarHBondContact O-CB 3.47Å; E76-A80 PolarHBondContact O-N 2.84Å
77I93.5Very high89.9Confident85 Ų8555.5 Ų55.544%0.43628%0.276SS..Hα-helixtrans-62.9-45.2176.5-68165.3000111R73 E74 K75 A80 K81R73-I77 HydrophobicContact CG-CD1 4.25Å; R73-I77 WeakPolarHBondContact O-CG1 3.44Å; R73-I77 PolarHBondContact O-N 3.43Å; E74-I77 PolarHBondContact O-N 3.25Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 2.84Å; I77-A80 PolarHBondContact O-N 2.66Å; I77-K81 WeakPolarHBondContact O-CG 3.44Å; I77-K81 PolarHBondContact O-N 3.19Å
78L95.4Very high90Very high2 Ų261.4 Ų61.41%0.0131%0.308CS..Hα-helixtrans-63.1-47.1178.217953.7000111.1I45 L65 L70 E74 K75 A80 K81 L82 I101 I102 T105I45-L78 HydrophobicContact CD1-CD2 4.49Å; I45-L78 HydrophobicContact CG2-CD2 4.08Å; L65-L78 HydrophobicContact CD1-CD2 3.89Å; L65-L78 HydrophobicContact CD2-CB 4.29Å; L65-L78 HydrophobicContact CD2-CD2 3.86Å; L65-L78 HydrophobicContact CD2-CG 4.12Å; L70-L78 HydrophobicContact CD1-CB 4.49Å; L70-L78 HydrophobicContact CD1-CD2 3.61Å; E74-L78 WeakPolarHBondContact O-CB 3.45Å; E74-L78 PolarHBondContact O-N 2.89Å; K75-L78 PolarHBondContact O-N 2.93Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 2.96Å; L78-K81 WeakPolarHBondContact O-CB 3.4Å; L78-K81 PolarHBondContact O-N 3.45Å; L78-K81 VanDerWaalsContact O-N 3.12Å; L78-L82 HydrophobicContact CD1-CG 4.44Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.03Å; L78-I101 HydrophobicContact CD1-CG2 3.66Å; L78-I102 HydrophobicContact CD1-CG1 4.3Å; L78-I102 HydrophobicContact CD2-CG1 4.44Å; L78-T105 HydrophobicContact CD1-CG2 4.36Å; L78-T105 HydrophobicContact CD2-CG2 4.29Å
79C94.6Very high90.1Very high30 Ų3062.1 Ų62.120%0.20331%0.313CS..Hα-helixtrans-56.4-43.4175-70.20000111.8Y63 K75 E76 K81 L82 E83Y63-C79 WeakPolarHBondContact OH-CB 3.37Å; K75-C79 WeakPolarHBondContact O-CB 3.43Å; K75-C79 PolarHBondContact O-N 3.08Å; K75-C79 PolarHBondContact O-SG 3.24Å; E76-C79 PolarHBondContact O-N 3.35Å; C79-K81 PolarHBondContact O-N 3.12Å; C79-L82 PolarHBondContact O-N 3.48Å; C79-L82 VanDerWaalsContact O-N 3.17Å; C79-E83 WeakPolarHBondContact O-CG 3.3Å; C79-E83 PolarHBondContact O-N 2.76Å
80A94.9Very high90.4Very high53 Ų5364.7 Ų64.744%0.43834%0.336SS..Hα-helixtrans-61.9-40.4176.200000112.5E76 I77 L78 L82 E83 E84E76-A80 WeakPolarHBondContact O-CB 3.47Å; E76-A80 PolarHBondContact O-N 2.84Å; I77-A80 PolarHBondContact O-N 2.66Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 2.96Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 3.35Å; A80-E83 PolarHBondContact O-N 2.93Å; A80-E84 WeakPolarHBondContact O-CB 3.47Å; A80-E84 PolarHBondContact O-N 2.9Å
81K96.5Very high90.4Very high68 Ų6865.5 Ų65.530%0.29635%0.346SS..Hα-helixtrans-62.2-40173.5-68.9-179.2-179.9-175.30111.8I77 L78 C79 A85 I101 E108I77-K81 WeakPolarHBondContact O-CG 3.44Å; I77-K81 PolarHBondContact O-N 3.19Å; L78-K81 WeakPolarHBondContact O-CB 3.4Å; L78-K81 PolarHBondContact O-N 3.45Å; L78-K81 VanDerWaalsContact O-N 3.12Å; C79-K81 PolarHBondContact O-N 3.12Å; K81-A85 WeakPolarHBondContact O-CB 3.42Å; K81-A85 PolarHBondContact O-N 2.98Å; K81-I101 HydrophobicContact CB-CG2 3.8Å; K81-I101 HydrophobicContact CD-CG2 4.03Å; K81-E108 IonicContact NZ-OE2 3.94Å
82L96.2Very high90.7Very high0 Ų067.9 Ų67.90%036%0.355CS..Hα-helixtrans-65.9-42.9177.3-61.8-178.6000111.6L47 Y63 L78 C79 A80 A85 Y86 W98 I101 I102L47-L82 HydrophobicContact CD1-CD1 3.92Å; Y63-L82 HydrophobicContact CD2-CD1 4.47Å; Y63-L82 HydrophobicContact CE2-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.44Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.03Å; C79-L82 PolarHBondContact O-N 3.48Å; C79-L82 VanDerWaalsContact O-N 3.17Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 3.35Å; L82-A85 PolarHBondContact O-N 2.9Å; L82-Y86 PolarHBondContact O-N 3.01Å; L82-W98 HydrophobicContact CB-CD2 4.39Å; L82-W98 HydrophobicContact CB-CG 4.5Å; L82-W98 HydrophobicContact CB-CZ2 4.38Å; L82-W98 HydrophobicContact CD2-CB 3.82Å; L82-W98 HydrophobicContact CD2-CD2 4.24Å; L82-W98 HydrophobicContact CD2-CG 3.69Å; L82-W98 PolarHBondContact O-NE1 3.27Å; L82-I101 HydrophobicContact CD2-CB 4.27Å; L82-I101 HydrophobicContact CD2-CG2 4.07Å; L82-I102 HydrophobicContact CD2-CD1 4.46Å; L82-I102 HydrophobicContact CD2-CG1 4.3Å
83E93.5Very high91.3Very high114 Ų11467 Ų6753%0.53335%0.349SS..Hα-helixtrans-63.1-44.5175.8-72.5175.7-166.100111.8C79 A80 A85 Y86 L87C79-E83 WeakPolarHBondContact O-CG 3.3Å; C79-E83 PolarHBondContact O-N 2.76Å; A80-E83 PolarHBondContact O-N 2.93Å; E83-A85 PolarHBondContact O-N 3.35Å; E83-Y86 PolarHBondContact O-N 2.82Å; E83-L87 WeakPolarHBondContact O-CG 3.42Å; E83-L87 PolarHBondContact O-N 2.77Å
84E94.6Very high91.8Very high119 Ų11958.6 Ų58.656%0.55632%0.317SS*.Hα-helixtrans-60.5-43.3175.3-176.8176.6-168.800111.8A80 Y86 L87 N88A80-E84 WeakPolarHBondContact O-CB 3.47Å; A80-E84 PolarHBondContact O-N 2.9Å; E84-Y86 VanDerWaalsContact C-N 3.3Å; E84-Y86 PolarHBondContact O-N 3.1Å; E84-L87 PolarHBondContact O-N 2.93Å; E84-N88 PolarHBondContact O-N 3.44Å; E84-N88 PolarHBondContact O-ND2 3.24Å
85A93.7Very high92Very high10 Ų1055.9 Ų55.98%0.08330%0.304CS..Hα-helixtrans-60.7-39.1176.200000112.5K81 L82 E83 N88 C89 V94 Q97 I101K81-A85 WeakPolarHBondContact O-CB 3.42Å; K81-A85 PolarHBondContact O-N 2.98Å; L82-A85 PolarHBondContact O-N 2.9Å; E83-A85 PolarHBondContact O-N 3.35Å; A85-N88 PolarHBondContact O-N 2.97Å; A85-C89 PolarHBondContact O-N 3.1Å; A85-C89 VanDerWaalsContact O-N 3.11Å; A85-V94 HydrophobicContact CB-CG2 4.46Å; A85-Q97 HydrophobicContact CB-CB 4.35Å; A85-I101 HydrophobicContact CB-CD1 3.52Å
86Y91.6Very high92.3Very high36 Ų3658.1 Ų58.114%0.14131%0.314CS..Hα-helixtrans-64.2-45.4173168.8-102.9000112.2P60 L82 E83 E84 N88 C89 A90 V94P60-Y86 VanDerWaalsContact CA-CE2 3.45Å; P60-Y86 HydrophobicContact CB-CD1 3.86Å; P60-Y86 HydrophobicContact CB-CD2 3.75Å; P60-Y86 HydrophobicContact CB-CE1 3.71Å; P60-Y86 HydrophobicContact CB-CE2 3.6Å; P60-Y86 HydrophobicContact CB-CG 3.87Å; P60-Y86 WeakPolarHBondContact CD-OH 3.27Å; P60-Y86 HydrophobicContact CG-CE1 4.07Å; L82-Y86 PolarHBondContact O-N 3.01Å; E83-Y86 PolarHBondContact O-N 2.82Å; E84-Y86 VanDerWaalsContact C-N 3.3Å; E84-Y86 PolarHBondContact O-N 3.1Å; Y86-N88 PolarHBondContact O-N 3.32Å; Y86-C89 CarbonylContact O-C 3.57Å; Y86-C89 VanDerWaalsContact O-C 3.23Å; Y86-C89 PolarHBondContact O-N 3.39Å; Y86-A90 WeakPolarHBondContact O-CA 3.25Å; Y86-A90 PolarHBondContact O-N 3.24Å; Y86-V94 HydrophobicContact CD2-CG1 4.46Å
87L90.6Very high92.4Very high125 Ų12554.8 Ų54.865%0.65430%0.298SS*.Hα-helixtrans-60.9-35.9178.4-68.4174.2000111.9E83 E84 C89E83-L87 WeakPolarHBondContact O-CG 3.42Å; E83-L87 PolarHBondContact O-N 2.77Å; E84-L87 PolarHBondContact O-N 2.93Å; L87-C89 VanDerWaalsContact C-N 3.31Å; L87-C89 PolarHBondContact O-N 3.39Å
88N90Very high92.6Very high124 Ų12450.9 Ų50.966%0.66328%0.278SS*.Hα-helixtrans-71.9-23.5176-70.3-30.9000113.5E84 A85 Y86E84-N88 PolarHBondContact O-N 3.44Å; E84-N88 PolarHBondContact O-ND2 3.24Å; A85-N88 PolarHBondContact O-N 2.97Å; Y86-N88 PolarHBondContact O-N 3.32Å
89C84.4Confident92.6Very high27 Ų2750.8 Ų50.818%0.18228%0.278CS..THydrogen-bonded Turntrans-112.423.2178.1-67.10000112.6A85 Y86 L87 G91 Q92 V94A85-C89 PolarHBondContact O-N 3.1Å; A85-C89 VanDerWaalsContact O-N 3.11Å; Y86-C89 CarbonylContact O-C 3.57Å; Y86-C89 VanDerWaalsContact O-C 3.23Å; Y86-C89 PolarHBondContact O-N 3.39Å; L87-C89 VanDerWaalsContact C-N 3.31Å; L87-C89 PolarHBondContact O-N 3.39Å; C89-G91 PolarHBondContact O-N 3.36Å; C89-Q92 HydrophobicContact CB-CB 4.44Å; C89-Q92 WeakPolarHBondContact O-CA 3.41Å; C89-Q92 WeakPolarHBondContact O-CB 3.33Å; C89-Q92 PolarHBondContact O-N 3.27Å; C89-V94 HydrophobicContact CB-CG2 4.23Å
90A83.8Confident92.6Very high63 Ų6354.1 Ų54.152%0.52129%0.29SS..THydrogen-bonded Turntrans-57.7126.8-173.200000111.6Y86 Q92Y86-A90 WeakPolarHBondContact O-CA 3.25Å; Y86-A90 PolarHBondContact O-N 3.24Å; A90-Q92 VanDerWaalsContact C-N 3.34Å
91G85.7Confident92.6Very high24 Ų2452.9 Ų52.925%0.24728%0.276CS..THydrogen-bonded Turntrans860.5-174.500000114.9P56 C89P56-G91 CarbonylContact O-C 3.57Å; P56-G91 VanDerWaalsContact O-CA 3.28Å; P56-G91 WeakPolarHBondContact O-CA 3.39Å; C89-G91 PolarHBondContact O-N 3.36Å
92Q90.5Very high92.6Very high120 Ų12049.6 Ų49.656%0.56126%0.262SS*.SBendtrans-122.4155.5177.2-59.2-86.9-78.100110P56 C89 A90P56-Q92 VanDerWaalsContact CB-C 3.41Å; P56-Q92 WeakPolarHBondContact CB-O 3.44Å; C89-Q92 HydrophobicContact CB-CB 4.44Å; C89-Q92 WeakPolarHBondContact O-CA 3.41Å; C89-Q92 WeakPolarHBondContact O-CB 3.33Å; C89-Q92 PolarHBondContact O-N 3.27Å; A90-Q92 VanDerWaalsContact C-N 3.34Å
93P92.6Very high92.4Very high30 Ų3053.5 Ų53.520%0.19528%0.279CS..  trans-58.9141.7171.3-14.325.2000112.1L8 E12 Y55 P56L8-P93 HydrophobicContact CB-CG 4.23Å; E12-P93 HydrophobicContact CB-CB 3.88Å; E12-P93 HydrophobicContact CB-CG 4.36Å; E12-P93 HydrophobicContact CG-CB 3.89Å; E12-P93 WeakPolarHBondContact OE1-CB 3.47Å; Y55-P93 VanDerWaalsContact OH-CA 3.24Å; Y55-P93 WeakPolarHBondContact OH-CA 3.44Å; P56-P93 HydrophobicContact CG-CG 4.09Å
94V95.1Very high92.4Very high0 Ų053.3 Ų53.30%028%0.278CS..  trans-125.3-11.4-168.9740000114.2E12 Y55 P61 A85 Y86 C89 F96 Q97 W98E12-V94 PolarHBondContact OE1-N 2.99Å; Y55-V94 HydrophobicContact CE2-CG1 4.16Å; Y55-V94 PolarHBondContact OH-N 2.97Å; P61-V94 HydrophobicContact CG-CG1 3.75Å; A85-V94 HydrophobicContact CB-CG2 4.46Å; Y86-V94 HydrophobicContact CD2-CG1 4.46Å; C89-V94 HydrophobicContact CB-CG2 4.23Å; V94-F96 PolarHBondContact O-N 2.78Å; V94-F96 VanDerWaalsContact O-N 3.15Å; V94-Q97 HydrophobicContact CG2-CB 4.46Å; V94-Q97 PolarHBondContact O-N 2.95Å; V94-Q97 VanDerWaalsContact O-N 3.08Å; V94-Q97 PolarHBondContact O-OE1 3.06Å; V94-W98 HydrophobicContact CG1-CD2 4.16Å; V94-W98 HydrophobicContact CG1-CG 4.49Å; V94-W98 HydrophobicContact CG1-CZ2 4.23Å; V94-W98 HydrophobicContact CG2-CG 4.43Å; V94-W98 PolarHBondContact O-N 2.87Å
95L95.1Very high92.3Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-64.6-27.5-169.6-61.8-176.6000112.6E12 L16 W24 L32 V49 L51 P61 W98 S99E12-L95 HydrophobicContact CG-CB 4.4Å; E12-L95 VanDerWaalsContact OE1-CB 3.27Å; E12-L95 WeakPolarHBondContact OE1-CB 3.28Å; E12-L95 WeakPolarHBondContact OE1-CG 3.47Å; E12-L95 PolarHBondContact OE1-N 3.25Å; L16-L95 HydrophobicContact CD1-CB 3.66Å; L16-L95 HydrophobicContact CD1-CD1 3.8Å; L16-L95 HydrophobicContact CD1-CG 4.4Å; L16-L95 HydrophobicContact CD2-CB 4.3Å; W24-L95 HydrophobicContact CH2-CB 4.38Å; W24-L95 HydrophobicContact CH2-CD1 4.27Å; W24-L95 HydrophobicContact CH2-CD2 4.19Å; W24-L95 HydrophobicContact CZ2-CB 4.03Å; L32-L95 HydrophobicContact CD1-CD1 4.11Å; V49-L95 HydrophobicContact CG1-CD2 3.97Å; V49-L95 HydrophobicContact CG2-CD2 4.49Å; L51-L95 HydrophobicContact CD2-CD1 4.26Å; P61-L95 HydrophobicContact CB-CD2 4.31Å; P61-L95 HydrophobicContact CG-CD2 3.92Å; L95-W98 HydrophobicContact CD2-CE3 3.94Å; L95-W98 HydrophobicContact CD2-CZ3 4.36Å; L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 2.55Å; L95-S99 PolarHBondContact O-OG 2.79Å
96F94.6Very high92.1Very high60 Ų6048.7 Ų48.726%0.26326%0.255SS..Hα-helixtrans-62.9-50.7173.2173.7-96.2000111.1L16 I19 F20 V94 W98 S99 E100L16-F96 HydrophobicContact CD2-CB 4.13Å; I19-F96 HydrophobicContact CD1-CD2 3.72Å; I19-F96 HydrophobicContact CD1-CE2 3.67Å; I19-F96 HydrophobicContact CG2-CE2 4.16Å; F20-F96 AromaticContact CE2-CD2 3.79Å; F20-F96 HydrophobicContact CE2-CD2 3.79Å; F20-F96 HydrophobicContact CE2-CE2 4.26Å; F20-F96 AromaticContact CZ-CD2 4Å; F20-F96 HydrophobicContact CZ-CD2 4Å; F20-F96 HydrophobicContact CZ-CE2 4.09Å; V94-F96 PolarHBondContact O-N 2.78Å; V94-F96 VanDerWaalsContact O-N 3.15Å; F96-W98 VanDerWaalsContact C-N 3.31Å; F96-W98 PolarHBondContact O-N 3.39Å; F96-S99 WeakPolarHBondContact O-CB 3.14Å; F96-S99 PolarHBondContact O-N 3.44Å; F96-S99 VanDerWaalsContact O-N 3.09Å; F96-E100 HydrophobicContact CE1-CG 4.04Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.33Å; F96-E100 HydrophobicContact CE2-CG 4.28Å; F96-E100 HydrophobicContact CZ-CG 3.89Å; F96-E100 VanDerWaalsContact CZ-OE1 3.3Å; F96-E100 WeakPolarHBondContact CZ-OE1 3.32Å; F96-E100 PolarHBondContact O-N 3.34Å
97Q94.3Very high91.9Very high61 Ų6150.5 Ų50.529%0.28527%0.27SS..Hα-helixtrans-60.7-42.2177.7-70.673.317.400111.1A85 V94 S99 E100 I101A85-Q97 HydrophobicContact CB-CB 4.35Å; V94-Q97 HydrophobicContact CG2-CB 4.46Å; V94-Q97 PolarHBondContact O-N 2.95Å; V94-Q97 VanDerWaalsContact O-N 3.08Å; V94-Q97 PolarHBondContact O-OE1 3.06Å; Q97-S99 VanDerWaalsContact C-N 3.31Å; Q97-S99 PolarHBondContact O-N 3.49Å; Q97-E100 PolarHBondContact O-N 2.89Å; Q97-I101 VanDerWaalsContact O-CG1 3.29Å; Q97-I101 WeakPolarHBondContact O-CG1 3.47Å; Q97-I101 PolarHBondContact O-N 2.82Å
98W96.7Very high91.7Very high3 Ų348.8 Ų48.81%0.01126%0.258CS..Hα-helixtrans-60-41.6174.6-758.9000112.3L47 V49 P61 Y63 L82 V94 L95 F96 I101 I102L47-W98 HydrophobicContact CD2-CD2 4.49Å; L47-W98 HydrophobicContact CD2-CE3 3.58Å; L47-W98 HydrophobicContact CD2-CZ3 4.13Å; V49-W98 HydrophobicContact CG2-CZ3 4.37Å; P61-W98 HydrophobicContact CB-CH2 3.76Å; P61-W98 HydrophobicContact CB-CZ3 3.72Å; P61-W98 HydrophobicContact CG-CH2 3.89Å; P61-W98 HydrophobicContact CG-CZ2 4.48Å; P61-W98 HydrophobicContact CG-CZ3 3.98Å; Y63-W98 AromaticContact CD1-CH2 3.36Å; Y63-W98 HydrophobicContact CD1-CH2 3.36Å; Y63-W98 HydrophobicContact CD1-CZ2 4.26Å; Y63-W98 AromaticContact CD1-CZ3 3.69Å; Y63-W98 HydrophobicContact CD1-CZ3 3.69Å; Y63-W98 AromaticContact CE1-CH2 3.79Å; Y63-W98 HydrophobicContact CE1-CH2 3.79Å; Y63-W98 HydrophobicContact CE1-CZ2 4.25Å; Y63-W98 HydrophobicContact CE1-CZ3 4.41Å; Y63-W98 HydrophobicContact CG-CH2 4.2Å; Y63-W98 HydrophobicContact CG-CZ3 4.07Å; L82-W98 HydrophobicContact CB-CD2 4.39Å; L82-W98 HydrophobicContact CB-CG 4.5Å; L82-W98 HydrophobicContact CB-CZ2 4.38Å; L82-W98 HydrophobicContact CD2-CB 3.82Å; L82-W98 HydrophobicContact CD2-CD2 4.24Å; L82-W98 HydrophobicContact CD2-CG 3.69Å; L82-W98 PolarHBondContact O-NE1 3.27Å; V94-W98 HydrophobicContact CG1-CD2 4.16Å; V94-W98 HydrophobicContact CG1-CG 4.49Å; V94-W98 HydrophobicContact CG1-CZ2 4.23Å; V94-W98 HydrophobicContact CG2-CG 4.43Å; V94-W98 PolarHBondContact O-N 2.87Å; L95-W98 HydrophobicContact CD2-CE3 3.94Å; L95-W98 HydrophobicContact CD2-CZ3 4.36Å; F96-W98 VanDerWaalsContact C-N 3.31Å; F96-W98 PolarHBondContact O-N 3.39Å; W98-I101 PolarHBondContact O-N 3.36Å; W98-I102 WeakPolarHBondContact O-CB 3.48Å; W98-I102 VanDerWaalsContact O-CG1 3.28Å; W98-I102 WeakPolarHBondContact O-CG1 3.42Å; W98-I102 PolarHBondContact O-N 2.99Å
99S95.3Very high91.3Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-63.2-41.7177.7-55.70000111.7W24 L95 F96 Q97 K103W24-S99 WeakPolarHBondContact CZ2-OG 3.49Å; W24-S99 PolarHBondContact NE1-OG 2.76Å; L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 2.55Å; L95-S99 PolarHBondContact O-OG 2.79Å; F96-S99 WeakPolarHBondContact O-CB 3.14Å; F96-S99 PolarHBondContact O-N 3.44Å; F96-S99 VanDerWaalsContact O-N 3.09Å; Q97-S99 VanDerWaalsContact C-N 3.31Å; Q97-S99 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact O-CB 3.29Å; S99-K103 WeakPolarHBondContact O-CG 3.09Å; S99-K103 PolarHBondContact O-N 3.06Å
100E94.6Very high90.8Very high99 Ų9946 Ų4646%0.46324%0.238SC..Hα-helixtrans-64.7-47.9177-68.6-165.1123.600111.9F96 Q97 I102 K103 E104F96-E100 HydrophobicContact CE1-CG 4.04Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.33Å; F96-E100 HydrophobicContact CE2-CG 4.28Å; F96-E100 HydrophobicContact CZ-CG 3.89Å; F96-E100 VanDerWaalsContact CZ-OE1 3.3Å; F96-E100 WeakPolarHBondContact CZ-OE1 3.32Å; F96-E100 PolarHBondContact O-N 3.34Å; Q97-E100 PolarHBondContact O-N 2.89Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-I102 PolarHBondContact O-N 2.83Å; E100-K103 PolarHBondContact O-N 3.47Å; E100-K103 VanDerWaalsContact O-N 3.16Å; E100-E104 WeakPolarHBondContact O-CB 3.32Å; E100-E104 PolarHBondContact O-N 3.03Å
101I96.1Very high90.2Very high27 Ų2749.1 Ų49.114%0.13824%0.241CC..Hα-helixtrans-58.4-42.8178.2-69.5166000111.3L78 K81 L82 A85 Q97 W98 T105L78-I101 HydrophobicContact CD1-CG2 3.66Å; K81-I101 HydrophobicContact CB-CG2 3.8Å; K81-I101 HydrophobicContact CD-CG2 4.03Å; L82-I101 HydrophobicContact CD2-CB 4.27Å; L82-I101 HydrophobicContact CD2-CG2 4.07Å; A85-I101 HydrophobicContact CB-CD1 3.52Å; Q97-I101 VanDerWaalsContact O-CG1 3.29Å; Q97-I101 WeakPolarHBondContact O-CG1 3.47Å; Q97-I101 PolarHBondContact O-N 2.82Å; W98-I101 PolarHBondContact O-N 3.36Å; I101-T105 WeakPolarHBondContact O-CB 3.49Å; I101-T105 PolarHBondContact O-N 2.83Å; I101-T105 PolarHBondContact O-OG1 3.32Å
102I95Very high89.3Confident0 Ų051.7 Ų51.70%025%0.252CS..Hα-helixtrans-66.2-43.3178.4-71.9167000110.8F34 V36 I45 L47 L78 L82 W98 E100 T105 F106F34-I102 HydrophobicContact CD1-CB 4.42Å; F34-I102 HydrophobicContact CD1-CD1 4.06Å; F34-I102 HydrophobicContact CD1-CG2 4.16Å; F34-I102 HydrophobicContact CE1-CB 4.03Å; F34-I102 HydrophobicContact CE1-CD1 4.48Å; F34-I102 HydrophobicContact CE1-CG2 3.84Å; V36-I102 HydrophobicContact CG2-CG2 3.93Å; I45-I102 HydrophobicContact CB-CG2 4.08Å; I45-I102 HydrophobicContact CG2-CG2 3.69Å; L47-I102 HydrophobicContact CB-CD1 3.8Å; L47-I102 HydrophobicContact CD1-CD1 4.3Å; L47-I102 HydrophobicContact CD2-CD1 3.83Å; L47-I102 HydrophobicContact CG-CD1 4.2Å; L78-I102 HydrophobicContact CD1-CG1 4.3Å; L78-I102 HydrophobicContact CD2-CG1 4.44Å; L82-I102 HydrophobicContact CD2-CD1 4.46Å; L82-I102 HydrophobicContact CD2-CG1 4.3Å; W98-I102 WeakPolarHBondContact O-CB 3.48Å; W98-I102 VanDerWaalsContact O-CG1 3.28Å; W98-I102 WeakPolarHBondContact O-CG1 3.42Å; W98-I102 PolarHBondContact O-N 2.99Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-I102 PolarHBondContact O-N 2.83Å; I102-T105 PolarHBondContact O-N 2.83Å; I102-F106 WeakPolarHBondContact O-CB 3.33Å; I102-F106 PolarHBondContact O-N 2.99Å
103K92.5Very high88Confident81 Ų8148.8 Ų48.835%0.35224%0.236SC..Hα-helixtrans-64.4-43.4177.7-76.1176.3701710111.9F20 F34 V36 S99 E100 F106 V107F20-K103 HydrophobicContact CD1-CD 4.08Å; F20-K103 HydrophobicContact CE1-CD 3.67Å; F34-K103 HydrophobicContact CE1-CG 4.44Å; F34-K103 HydrophobicContact CZ-CD 4.15Å; F34-K103 HydrophobicContact CZ-CG 4.04Å; V36-K103 HydrophobicContact CG2-CG 3.73Å; S99-K103 WeakPolarHBondContact O-CB 3.29Å; S99-K103 WeakPolarHBondContact O-CG 3.09Å; S99-K103 PolarHBondContact O-N 3.06Å; E100-K103 PolarHBondContact O-N 3.47Å; E100-K103 VanDerWaalsContact O-N 3.16Å; K103-F106 WeakPolarHBondContact O-CB 3.45Å; K103-F106 PolarHBondContact O-N 2.63Å; K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.01Å
104E92.9Very high86.5Confident111 Ų11151 Ų5152%0.51925%0.246SC..Hα-helixtrans-60.6-50.7176-175.6174.6-148.900110.6E100 F106 V107 E108E100-E104 WeakPolarHBondContact O-CB 3.32Å; E100-E104 PolarHBondContact O-N 3.03Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 3.29Å; E104-V107 PolarHBondContact O-N 3.42Å; E104-E108 HydrophobicContact CG-CG 4.35Å; E104-E108 WeakPolarHBondContact O-CG 3.33Å; E104-E108 PolarHBondContact O-N 2.98Å
105T92.4Very high84.6Confident15 Ų1553.6 Ų53.69%0.09227%0.267CS..Hα-helixtrans-58.7-39.4177.5-56.90000111.9I45 L70 L78 I101 I102 K109I45-T105 HydrophobicContact CD1-CG2 4.37Å; L70-T105 HydrophobicContact CD2-CG2 4.49Å; L78-T105 HydrophobicContact CD1-CG2 4.36Å; L78-T105 HydrophobicContact CD2-CG2 4.29Å; I101-T105 WeakPolarHBondContact O-CB 3.49Å; I101-T105 PolarHBondContact O-N 2.83Å; I101-T105 PolarHBondContact O-OG1 3.32Å; I102-T105 PolarHBondContact O-N 2.83Å; T105-K109 WeakPolarHBondContact O-CB 3.3Å; T105-K109 PolarHBondContact O-N 2.97Å; T105-K109 VanDerWaalsContact O-N 3.14Å
106F90.4Very high82.5Confident16 Ų1657.4 Ų57.47%0.0729%0.288CS..Hα-helixtrans-61.9-44.8176-171.7-94.1000111.7V36 K38 I45 Y69 I102 K103 E104 F110V36-F106 HydrophobicContact CB-CB 4.5Å; V36-F106 HydrophobicContact CB-CD2 4.34Å; V36-F106 HydrophobicContact CB-CG 4.25Å; V36-F106 HydrophobicContact CG1-CB 3.92Å; V36-F106 HydrophobicContact CG1-CD1 3.55Å; V36-F106 HydrophobicContact CG1-CD2 3.98Å; V36-F106 HydrophobicContact CG1-CE1 4.04Å; V36-F106 HydrophobicContact CG1-CE2 4.44Å; V36-F106 HydrophobicContact CG1-CG 3.52Å; V36-F106 HydrophobicContact CG1-CZ 4.47Å; K38-F106 HydrophobicContact CB-CE1 4.48Å; K38-F106 HydrophobicContact CB-CZ 3.9Å; K38-F106 VanDerWaalsContact N-CZ 3.33Å; I45-F106 HydrophobicContact CB-CD2 4.47Å; I45-F106 HydrophobicContact CD1-CB 4.01Å; I45-F106 HydrophobicContact CD1-CD2 3.94Å; I45-F106 HydrophobicContact CG1-CD2 3.99Å; Y69-F106 HydrophobicContact CD1-CD2 4.19Å; Y69-F106 HydrophobicContact CD1-CE2 4.17Å; Y69-F106 HydrophobicContact CE1-CD2 4.46Å; Y69-F106 HydrophobicContact CE1-CE2 4.47Å; I102-F106 WeakPolarHBondContact O-CB 3.33Å; I102-F106 PolarHBondContact O-N 2.99Å; K103-F106 WeakPolarHBondContact O-CB 3.45Å; K103-F106 PolarHBondContact O-N 2.63Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 3.29Å; F106-F110 WeakPolarHBondContact O-CB 3.32Å; F106-F110 PolarHBondContact O-N 2.83Å
107V86.9Confident80.2Confident74 Ų7459.8 Ų59.845%0.44830%0.303SS..Hα-helixtrans-68.7-48.9179.9172.50000111.5K103 E104 K109 F110 E111K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.01Å; E104-V107 PolarHBondContact O-N 3.42Å; V107-K109 VanDerWaalsContact C-N 3.28Å; V107-K109 PolarHBondContact O-N 2.85Å; V107-F110 WeakPolarHBondContact O-CA 3.31Å; V107-F110 WeakPolarHBondContact O-CB 3.4Å; V107-F110 PolarHBondContact O-N 3.46Å; V107-E111 HydrophobicContact CG1-CG 4.49Å; V107-E111 PolarHBondContact O-N 3.31Å
108E86.5Confident77.7Confident89 Ų8964.9 Ų64.942%0.41633%0.327SS..Hα-helixtrans-54.7-46.2179.4-73.2178.9160.400111.5K81 E104 F110 T112K81-E108 IonicContact NZ-OE2 3.94Å; E104-E108 HydrophobicContact CG-CG 4.35Å; E104-E108 WeakPolarHBondContact O-CG 3.33Å; E104-E108 PolarHBondContact O-N 2.98Å; E108-F110 VanDerWaalsContact C-N 3.34Å; E108-T112 PolarHBondContact O-N 3.07Å; E108-T112 VanDerWaalsContact O-N 3.15Å; E108-T112 PolarHBondContact O-OG1 2.93Å
109K81.2Confident75.1Confident45 Ų4571.3 Ų71.320%0.19636%0.362CS..Hα-helixtrans-71.2-34.2179.1-167.5172.6-177.71700111.5Y69 L70 E74 T105 V107 T112 Y113Y69-K109 HydrophobicContact CD1-CB 4.48Å; Y69-K109 HydrophobicContact CD1-CD 4.05Å; Y69-K109 HydrophobicContact CD1-CG 4.4Å; Y69-K109 HydrophobicContact CE1-CB 3.63Å; Y69-K109 HydrophobicContact CE1-CD 3.8Å; Y69-K109 HydrophobicContact CE1-CG 3.66Å; Y69-K109 HydrophobicContact CE2-CD 4.47Å; Y69-K109 HydrophobicContact CE2-CG 4.44Å; Y69-K109 WeakPolarHBondContact O-CD 3.4Å; Y69-K109 WeakPolarHBondContact O-CE 3.25Å; Y69-K109 PolarHBondContact O-NZ 2.8Å; Y69-K109 PolarHBondContact OH-O 2.85Å; L70-K109 HydrophobicContact CD2-CD 3.45Å; L70-K109 VanDerWaalsContact CD2-CD 3.45Å; E74-K109 WeakPolarHBondContact OE1-CD 3.12Å; E74-K109 WeakPolarHBondContact OE1-CE 3.19Å; E74-K109 IonicContact OE1-NZ 3.87Å; E74-K109 PolarHBondContact OE1-NZ 3.26Å; E74-K109 IonicContact OE2-NZ 3.21Å; E74-K109 PolarHBondContact OE2-NZ 3.33Å; T105-K109 WeakPolarHBondContact O-CB 3.3Å; T105-K109 PolarHBondContact O-N 2.97Å; T105-K109 VanDerWaalsContact O-N 3.14Å; V107-K109 VanDerWaalsContact C-N 3.28Å; V107-K109 PolarHBondContact O-N 2.85Å; K109-T112 PolarHBondContact O-N 3.37Å; K109-Y113 WeakPolarHBondContact O-CB 3.42Å; K109-Y113 PolarHBondContact O-N 2.8Å
110F75.3Confident72.3Confident48 Ų4875.5 Ų75.521%0.21138%0.384CS..Hα-helixtrans-63.3-43.4177.1-168.7-111.3000113.3K38 Y69 F106 V107 E108 T112 Y113 I114K38-F110 HydrophobicContact CD-CD2 4.18Å; K38-F110 HydrophobicContact CD-CE2 3.32Å; K38-F110 HydrophobicContact CD-CZ 3.73Å; K38-F110 HydrophobicContact CG-CE2 4.18Å; K38-F110 HydrophobicContact CG-CZ 4.36Å; Y69-F110 WeakPolarHBondContact OH-CA 3.45Å; Y69-F110 PolarHBondContact OH-N 3.05Å; F106-F110 WeakPolarHBondContact O-CB 3.32Å; F106-F110 PolarHBondContact O-N 2.83Å; V107-F110 WeakPolarHBondContact O-CA 3.31Å; V107-F110 WeakPolarHBondContact O-CB 3.4Å; V107-F110 PolarHBondContact O-N 3.46Å; E108-F110 VanDerWaalsContact C-N 3.34Å; F110-T112 VanDerWaalsContact C-N 3.34Å; F110-Y113 PolarHBondContact O-N 3.06Å; F110-I114 HydrophobicContact CD1-CD1 3.96Å; F110-I114 HydrophobicContact CE1-CD1 3.33Å; F110-I114 HydrophobicContact CE1-CG1 4.22Å; F110-I114 HydrophobicContact CE2-CD1 4.26Å; F110-I114 HydrophobicContact CE2-CG1 4.32Å; F110-I114 HydrophobicContact CZ-CD1 3.49Å; F110-I114 VanDerWaalsContact CZ-CD1 3.49Å; F110-I114 HydrophobicContact CZ-CG1 4Å; F110-I114 WeakPolarHBondContact O-CG1 3.31Å; F110-I114 PolarHBondContact O-N 3.4Å
111E70Confident69.4Low129 Ų12979.5 Ų79.560%0.60340%0.403SS*.Hα-helixtrans-62.2-43.7173.5-68.6-179.9171.400111.2V107 Y113 I114 A115V107-E111 HydrophobicContact CG1-CG 4.49Å; V107-E111 PolarHBondContact O-N 3.31Å; E111-Y113 VanDerWaalsContact C-N 3.34Å; E111-Y113 PolarHBondContact O-N 3.27Å; E111-I114 PolarHBondContact O-N 3.07Å; E111-A115 WeakPolarHBondContact O-CB 3.43Å; E111-A115 PolarHBondContact O-N 3.34Å
112T68.2Low66.4Low77 Ų7784.7 Ų84.747%0.47243%0.431SS..Hα-helixtrans-64.2-39177.1-53.20000111.9E108 K109 F110 A115 N116E108-T112 PolarHBondContact O-N 3.07Å; E108-T112 VanDerWaalsContact O-N 3.15Å; E108-T112 PolarHBondContact O-OG1 2.93Å; K109-T112 PolarHBondContact O-N 3.37Å; F110-T112 VanDerWaalsContact C-N 3.34Å; T112-A115 PolarHBondContact O-N 2.91Å; T112-N116 VanDerWaalsContact O-CB 3.32Å; T112-N116 WeakPolarHBondContact O-CB 3.49Å; T112-N116 PolarHBondContact O-N 3.41Å; T112-N116 PolarHBondContact O-ND2 3.46Å
113Y62.9Low63.6Low59 Ų5992 Ų9223%0.23147%0.469CS..Hα-helixtrans-66.3-43.2178.1-177-82.2000111.8Y69 K109 F110 E111 N116 D117Y69-Y113 HydrophobicContact CE2-CD2 4.11Å; Y69-Y113 HydrophobicContact CE2-CG 4.31Å; Y69-Y113 VanDerWaalsContact OH-CB 3.31Å; Y69-Y113 WeakPolarHBondContact OH-CB 3.42Å; K109-Y113 WeakPolarHBondContact O-CB 3.42Å; K109-Y113 PolarHBondContact O-N 2.8Å; F110-Y113 PolarHBondContact O-N 3.06Å; E111-Y113 VanDerWaalsContact C-N 3.34Å; E111-Y113 PolarHBondContact O-N 3.27Å; Y113-N116 PolarHBondContact O-N 3.15Å; Y113-D117 WeakPolarHBondContact CE1-OD2 3.46Å; Y113-D117 PolarHBondContact O-N 3.4Å; Y113-D117 PolarHBondContact OH-OD2 3.02Å
114I59.9Low60.6Low78 Ų7894.5 Ų94.540%0.450%0.497SS..Hα-helixtrans-63.1-44.9174.9-69.3175.2000110.8F110 E111 N116 D117 E118F110-I114 HydrophobicContact CD1-CD1 3.96Å; F110-I114 HydrophobicContact CE1-CD1 3.33Å; F110-I114 HydrophobicContact CE1-CG1 4.22Å; F110-I114 HydrophobicContact CE2-CD1 4.26Å; F110-I114 HydrophobicContact CE2-CG1 4.32Å; F110-I114 HydrophobicContact CZ-CD1 3.49Å; F110-I114 VanDerWaalsContact CZ-CD1 3.49Å; F110-I114 HydrophobicContact CZ-CG1 4Å; F110-I114 WeakPolarHBondContact O-CG1 3.31Å; F110-I114 PolarHBondContact O-N 3.4Å; E111-I114 PolarHBondContact O-N 3.07Å; I114-N116 PolarHBondContact O-N 3.02Å; I114-D117 PolarHBondContact O-N 2.91Å; I114-E118 PolarHBondContact O-N 3.25Å
115A55.1Low57.8Low54 Ų5492 Ų9245%0.44650%0.5SS..Hα-helixtrans-60.3-37.317800000111.8E111 T112E111-A115 WeakPolarHBondContact O-CB 3.43Å; E111-A115 PolarHBondContact O-N 3.34Å; T112-A115 PolarHBondContact O-N 2.91Å
116N51.9Low55Low80 Ų8098.4 Ų98.443%0.42853%0.534SS..Hα-helixtrans-78.1-30.2179.9-74.8-21.4000113.7T112 Y113 I114 E118 D119 N120T112-N116 VanDerWaalsContact O-CB 3.32Å; T112-N116 WeakPolarHBondContact O-CB 3.49Å; T112-N116 PolarHBondContact O-N 3.41Å; T112-N116 PolarHBondContact O-ND2 3.46Å; Y113-N116 PolarHBondContact O-N 3.15Å; I114-N116 PolarHBondContact O-N 3.02Å; N116-E118 PolarHBondContact O-N 2.84Å; N116-D119 PolarHBondContact O-N 2.81Å; N116-N120 WeakPolarHBondContact CA-ND2 3.15Å; N116-N120 VanDerWaalsContact CB-ND2 3.31Å; N116-N120 WeakPolarHBondContact CB-ND2 3.22Å; N116-N120 VanDerWaalsContact O-CB 3.28Å; N116-N120 WeakPolarHBondContact O-CB 3.24Å; N116-N120 PolarHBondContact O-N 2.86Å; N116-N120 PolarHBondContact O-ND2 2.88Å
117D46.2Very low52.5Low110 Ų110105.4 Ų105.459%0.58857%0.569SS**Hα-helixtrans-70.1-19.8176.6-1030.3000112.4Y113 I114Y113-D117 WeakPolarHBondContact CE1-OD2 3.46Å; Y113-D117 PolarHBondContact O-N 3.4Å; Y113-D117 PolarHBondContact OH-OD2 3.02Å; I114-D117 PolarHBondContact O-N 2.91Å
118E41.4Very low49.8Very low167 Ų167111 Ų11178%0.7859%0.591SS**Hα-helixtrans-83.4-18.7172.3-69.8-172169.400113.5I114 N116I114-E118 PolarHBondContact O-N 3.25Å; N116-E118 PolarHBondContact O-N 2.84Å
119D43.2Very low47.3Very low139 Ų139115.1 Ų115.174%0.74361%0.607SS**Hα-helixtrans-123.9-4.2-172.1-80.3-31.9000115.9N116 E121N116-D119 PolarHBondContact O-N 2.81Å; D119-E121 PolarHBondContact O-N 3.22Å
120N36Very low45.1Very low88 Ų88120.6 Ų120.647%0.47164%0.637SS.*  trans-102.770.9-176.4-76.2-80.6000114.4N116N116-N120 WeakPolarHBondContact CA-ND2 3.15Å; N116-N120 VanDerWaalsContact CB-ND2 3.31Å; N116-N120 WeakPolarHBondContact CB-ND2 3.22Å; N116-N120 VanDerWaalsContact O-CB 3.28Å; N116-N120 WeakPolarHBondContact O-CB 3.24Å; N116-N120 PolarHBondContact O-N 2.86Å; N116-N120 PolarHBondContact O-ND2 2.88Å
121E34Very low43.2Very low182 Ų182126.8 Ų126.885%0.8567%0.671SS**SBendtrans-82.9125.8141-69.2-173.3161.800107.7D119D119-E121 PolarHBondContact O-N 3.22Å
122D31.8Very low41.2Very low136 Ų136126.8 Ų126.873%0.72768%0.68SS**  trans64.784.1167.7-70.9-22.2000119.5
123L37.6Very low39.9Very low155 Ų155129 Ų12981%0.81270%0.698SS**  trans-144.886.9151-75178.5000112.3
124S30Very low38.6Very low132 Ų132131.8 Ų131.892%0.92373%0.727SS**  trans-87.899.9153.460.80000107.7
125G33.4Very low37.4Very low58 Ų58135.5 Ų135.560%0.59875%0.747SS**  trans-158.7106.4-17900000112.5
126D32.9Very low36.4Very low150 Ų150137.3 Ų137.380%0.80276%0.762SS**  trans50.9113.2147.2-61.9-28.8000120
127M37.8Very low35.7Very low164 Ų164139.2 Ų139.281%0.80878%0.777SS**  -158.6101118-131.8162.3-6500115.1K129M127-K129 PolarHBondContact O-N 2.86Å
128Q31Very low35Very low192 Ų192141.3 Ų141.390%0.89779%0.794SS**  trans-63.4107.1145.8-86.2161.7-35.800109.7
129K33.5Very low34.7Very low175 Ų175138.7 Ų138.776%0.76179%0.79SS**  trans-172101.2153.2-117.9174.6178.31790108.9M127M127-K129 PolarHBondContact O-N 2.86Å
130I36.4Very low34.4Very low160 Ų160137.8 Ų137.882%0.82179%0.794SS**SBendtrans172.861.2145.3-77.5145.1000106.2
131L34.3Very low34.8Very low177 Ų177136 Ų13693%0.92780%0.797SS**  trans-143.556.7162.7-77.9175.3000107.8
132T28.7Very low35.6Very low130 Ų130131.9 Ų131.980%0.79879%0.786SS**  trans-134.972166.138.50000108.2
133S40.9Very low36.9Very low122 Ų122131.1 Ų131.185%0.85379%0.786SS**  trans-14881.3155.5-70.50000105.7D135S133-D135 PolarHBondContact O-N 3.28Å
134S34.8Very low38.9Very low119 Ų119125.1 Ų125.183%0.83276%0.756SS**  trans-58.9111.3159.346.30000108.1
135D35.9Very low41.8Very low155 Ų155126.1 Ų126.183%0.82975%0.746SS**  trans-141.3126.1137.4-133-10.9000110.4S133S133-D135 PolarHBondContact O-N 3.28Å
136A33.6Very low44.7Very low92 Ų92125.1 Ų125.176%0.7673%0.728SS**  trans-80.6116.8179.300000108.2
137T35.9Very low47.8Very low121 Ų121119.5 Ų119.574%0.74270%0.701SS**  trans-145.6109.6154.6-0.10000108.9T139T137-T139 VanDerWaalsContact C-N 3.27Å; T137-T139 PolarHBondContact O-N 2.77Å
138T31.2Very low50.6Low153 Ų153114.6 Ų114.694%0.93968%0.682SS**  trans-6586.4170.6-47.60000108.5
139T35.1Very low53.8Low112 Ų112105.8 Ų105.869%0.68764%0.643SS**  trans-117.4121.5170.7-41.90000107.2T137 G141T137-T139 VanDerWaalsContact C-N 3.27Å; T137-T139 PolarHBondContact O-N 2.77Å; T139-G141 VanDerWaalsContact C-N 3.32Å; T139-G141 PolarHBondContact O-N 2.91Å
140S38.2Very low56.8Low121 Ų121105.7 Ų105.785%0.84665%0.645SS**  trans-54.791.1176.355.20000110.4
141G44.9Very low59.7Low50 Ų50101.1 Ų101.152%0.51563%0.626SS.*  trans-67.4159.8168.100000110.4T139 T143T139-G141 VanDerWaalsContact C-N 3.32Å; T139-G141 PolarHBondContact O-N 2.91Å; G141-T143 PolarHBondContact O-N 3.28Å
142P50.5Low62.7Low96 Ų9696.4 Ų96.462%0.62360%0.599SS**  trans-53129.8174.421.2-30.4000110.1V144P142-V144 PolarHBondContact O-N 2.84Å
143T58.2Low66Low120 Ų12094 Ų9474%0.73658%0.584SS**  trans-68.197.4176.7-56.60000108.8G141 Q145G141-T143 PolarHBondContact O-N 3.28Å; T143-Q145 PolarHBondContact O-N 2.85Å
144V79.7Confident68.7Low28 Ų2890.1 Ų90.117%0.1755%0.553CS.*  trans-77.6120.8174.8-177.60000109.3P142 V146 A164 A174 V175P142-V144 PolarHBondContact O-N 2.84Å; V144-V146 HydrophobicContact CG1-CG2 3.93Å; V144-A164 HydrophobicContact CG1-CB 4.26Å; V144-A174 HydrophobicContact CG2-CB 3.6Å; V144-V175 HydrophobicContact CB-CG2 4.48Å; V144-V175 HydrophobicContact CG1-CB 4.13Å; V144-V175 HydrophobicContact CG1-CG2 3.25Å
145Q90.3Very high71.5Confident153 Ų15388.7 Ų88.772%0.71553%0.53SS*.  trans-89.9113.4173.4-65.9-69.9-20.500108.9T143T143-Q145 PolarHBondContact O-N 2.85Å
146V95.6Very high74.3Confident37 Ų3788.8 Ų88.822%0.22452%0.523CS..  trans-107.7120.7177.9-170.70000109.1V144 H162 A164 V175 L179V144-V146 HydrophobicContact CG1-CG2 3.93Å; V146-H162 HydrophobicContact CG1-CB 4.01Å; V146-A164 HydrophobicContact CG2-CB 4.2Å; V146-V175 HydrophobicContact CG2-CG1 3.94Å; V146-L179 HydrophobicContact CG1-CD1 4.12Å; V146-L179 HydrophobicContact CG1-CD2 3.72Å; V146-L179 HydrophobicContact CG1-CG 3.97Å
147S97Very high77.2Confident33 Ų3384.4 Ų84.423%0.23149%0.486CS..EExtended strand (participates in β ladder)trans-96.2132.5175.8-173.20000110.6H162 V163 Q260 E264S147-H162 CarbonylContact O-C 3.58Å; S147-H162 WeakPolarHBondContact O-CA 2.87Å; S147-V163 PolarHBondContact N-O 2.91Å; S147-V163 PolarHBondContact O-N 3.27Å; S147-Q260 PolarHBondContact OG-NE2 3.15Å; S147-E264 VanDerWaalsContact CB-OE1 3.25Å; S147-E264 WeakPolarHBondContact CB-OE1 3.24Å; S147-E264 PolarHBondContact OG-OE1 2.79Å
148S97.5Very high80.2Confident60 Ų6080.2 Ų80.242%0.4246%0.461SS..EExtended strand (participates in β ladder)trans-113.1128.6-177-54.30000109.8H162S148-H162 VanDerWaalsContact CB-ND1 3.33Å; S148-H162 WeakPolarHBondContact CB-ND1 3.11Å; S148-H162 PolarHBondContact OG-CE1 2.67Å; S148-H162 PolarHBondContact OG-ND1 2.98Å
149G96.9Very high83.4Confident8 Ų872.9 Ų72.98%0.08242%0.416CS..PPolyproline II helixtrans-79.2172.1177.800000113.8Q160 A161G149-Q160 WeakPolarHBondContact O-CG 3.34Å; G149-Q160 PolarHBondContact O-NE2 3.2Å; G149-A161 PolarHBondContact N-O 3.39Å
150E97Very high86.4Confident172 Ų17268.9 Ų68.980%0.80439%0.389SS*.PPolyproline II helixtrans-65.2133.7174.2-70.7-59.5136.700110.9F152E150-F152 PolarHBondContact O-N 2.86Å
151P97.6Very high89.2Confident64 Ų6463.2 Ų63.242%0.41635%0.35SS..PPolyproline II helixtrans-69.6132.8178.728.4-33.4000110.9T158 F159P151-T158 HydrophobicContact CB-CG2 3.84Å; P151-F159 CarbonylContact C-O 3.48Å; P151-F159 WeakPolarHBondContact CA-O 3.44Å
152F98.2Very high91.8Very high79 Ų7960.9 Ų60.935%0.34633%0.325SS..EExtended strand (participates in β ladder)trans-103.3134.5172.9176.2-97000110.2E150 D154 T158 F159 H252 V256E150-F152 PolarHBondContact O-N 2.86Å; F152-D154 HydrophobicContact CE1-CB 3.78Å; F152-D154 HydrophobicContact CZ-CB 4.21Å; F152-T158 CarbonylContact O-C 3.58Å; F152-T158 VanDerWaalsContact O-CA 3.32Å; F152-T158 WeakPolarHBondContact O-CA 3.47Å; F152-F159 HydrophobicContact CD1-CD2 4.22Å; F152-F159 PolarHBondContact N-O 3.29Å; F152-F159 PolarHBondContact O-N 2.64Å; F152-H252 HydrophobicContact CD1-CB 4.15Å; F152-H252 HydrophobicContact CE1-CB 4.17Å; F152-H252 AromaticContact CE1-CD2 3.82Å; F152-H252 AromaticContact CE1-CE1 3.5Å; F152-H252 AromaticContact CE1-CG 3.54Å; F152-H252 AromaticContact CE1-ND1 3.34Å; F152-H252 VanDerWaalsContact CE1-ND1 3.34Å; F152-H252 WeakPolarHBondContact CE1-ND1 3.12Å; F152-H252 AromaticContact CE1-NE2 3.8Å; F152-H252 AromaticContact CZ-CE1 3.87Å; F152-H252 AromaticContact CZ-ND1 3.94Å; F152-V256 HydrophobicContact CB-CG1 3.66Å; F152-V256 HydrophobicContact CG-CG1 4.5Å
153T97.6Very high94.1Very high80 Ų8056.3 Ų56.349%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-124.3129.1179.8-59.30000111.5S157 T158T153-S157 VanDerWaalsContact CA-O 3.31Å; T153-S157 WeakPolarHBondContact CA-O 3.44Å; T153-T158 PolarHBondContact OG1-OG1 3.03Å
154D96.4Very high95.9Very high39 Ų3950.8 Ų50.821%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-134.6132.4171.5175.626.4000109.3F152 K156 S157 H252F152-D154 HydrophobicContact CE1-CB 3.78Å; F152-D154 HydrophobicContact CZ-CB 4.21Å; D154-K156 PolarHBondContact O-N 3Å; D154-K156 VanDerWaalsContact O-N 3.11Å; D154-S157 PolarHBondContact N-O 3.14Å; D154-S157 WeakPolarHBondContact O-CA 3.49Å; D154-S157 WeakPolarHBondContact O-CB 3.33Å; D154-S157 PolarHBondContact O-N 3.03Å; D154-H252 WeakPolarHBondContact CB-NE2 3.3Å; D154-H252 IonicContact OD2-CD2 3.8Å; D154-H252 IonicContact OD2-CE1 3.82Å; D154-H252 IonicContact OD2-NE2 2.84Å; D154-H252 PolarHBondContact OD2-NE2 2.94Å
155R94.6Very high96.8Very high90 Ų9054.8 Ų54.834%0.3428%0.279SS..THydrogen-bonded Turntrans44.348.1179.4-72.8167.6-75.8-178.1-7.5112.6S157 I243 L245 D248R155-S157 PolarHBondContact O-N 3.31Å; R155-I243 HydrophobicContact CB-CB 4.15Å; R155-I243 HydrophobicContact CB-CD1 4.1Å; R155-I243 HydrophobicContact CB-CG2 4.06Å; R155-I243 HydrophobicContact CG-CG2 4.44Å; R155-L245 HydrophobicContact CB-CD1 4.04Å; R155-D248 IonicContact CZ-OD2 3.66Å; R155-D248 IonicContact NH1-OD2 3.59Å; R155-D248 IonicContact NH2-OD2 3.08Å; R155-D248 PolarHBondContact NH2-OD2 3.01Å
156K94.1Very high97.1Very high156 Ų15647.5 Ų47.568%0.67825%0.245SC*.THydrogen-bonded Turntrans64.2-5.5-176.8-56.3177.2178.9178.50116D154 G241D154-K156 PolarHBondContact O-N 3Å; D154-K156 VanDerWaalsContact O-N 3.11Å; K156-G241 VanDerWaalsContact C-CA 3.42Å; K156-G241 WeakPolarHBondContact CB-O 3.3Å; K156-G241 WeakPolarHBondContact CD-O 3.27Å; K156-G241 WeakPolarHBondContact O-CA 3.35Å
157S95.4Very high97Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-81.4127.3170.9-63.70000109.2T153 D154 R155 W239 G241 L245T153-S157 VanDerWaalsContact CA-O 3.31Å; T153-S157 WeakPolarHBondContact CA-O 3.44Å; D154-S157 PolarHBondContact N-O 3.14Å; D154-S157 WeakPolarHBondContact O-CA 3.49Å; D154-S157 WeakPolarHBondContact O-CB 3.33Å; D154-S157 PolarHBondContact O-N 3.03Å; R155-S157 PolarHBondContact O-N 3.31Å; S157-W239 CarbonylContact C-O 3.56Å; S157-W239 VanDerWaalsContact CA-O 3.23Å; S157-W239 WeakPolarHBondContact CA-O 3.31Å; S157-G241 PolarHBondContact OG-N 3.09Å; S157-L245 WeakPolarHBondContact OG-CD1 3.43Å
158T97.5Very high96.7Very high33 Ų3352.1 Ų52.120%0.20226%0.262CS..EExtended strand (participates in β ladder)trans-108.5139.2179-59.10000110P151 F152 T153 R238 W239P151-T158 HydrophobicContact CB-CG2 3.84Å; F152-T158 CarbonylContact O-C 3.58Å; F152-T158 VanDerWaalsContact O-CA 3.32Å; F152-T158 WeakPolarHBondContact O-CA 3.47Å; T153-T158 PolarHBondContact OG1-OG1 3.03Å; T158-R238 CarbonylContact O-C 3.5Å; T158-R238 VanDerWaalsContact O-CA 3.29Å; T158-R238 WeakPolarHBondContact O-CA 3.24Å; T158-W239 HydrophobicContact CG2-CE3 4.05Å; T158-W239 HydrophobicContact CG2-CZ3 4.41Å; T158-W239 PolarHBondContact N-O 3.47Å; T158-W239 PolarHBondContact O-N 3.06Å
159F98.1Very high96.4Very high0 Ų054 Ų540%026%0.262CS..EExtended strand (participates in β ladder)trans-125.5132.6-180-56.9-97.4000108.9P151 F152 S237 R238 L245 R249 H252 I253 V256P151-F159 CarbonylContact C-O 3.48Å; P151-F159 WeakPolarHBondContact CA-O 3.44Å; F152-F159 HydrophobicContact CD1-CD2 4.22Å; F152-F159 PolarHBondContact N-O 3.29Å; F152-F159 PolarHBondContact O-N 2.64Å; F159-S237 CarbonylContact C-O 3.21Å; F159-S237 WeakPolarHBondContact CA-O 3.35Å; F159-R238 HydrophobicContact CD1-CB 4.1Å; F159-R238 HydrophobicContact CD1-CG 3.85Å; F159-R238 HydrophobicContact CE1-CB 4.23Å; F159-R238 VanDerWaalsContact CE1-CD 3.45Å; F159-R238 HydrophobicContact CE1-CG 3.57Å; F159-R238 HydrophobicContact CZ-CG 4.1Å; F159-L245 HydrophobicContact CE2-CD2 3.81Å; F159-L245 HydrophobicContact CZ-CD2 3.69Å; F159-R249 HydrophobicContact CE1-CB 4.3Å; F159-R249 HydrophobicContact CZ-CB 4.08Å; F159-H252 HydrophobicContact CD1-CB 4.3Å; F159-H252 HydrophobicContact CD2-CB 3.91Å; F159-H252 HydrophobicContact CE1-CB 4.26Å; F159-H252 HydrophobicContact CE2-CB 3.9Å; F159-H252 AromaticContact CE2-CD2 3.82Å; F159-H252 HydrophobicContact CG-CB 4.12Å; F159-H252 HydrophobicContact CZ-CB 4.07Å; F159-I253 HydrophobicContact CD1-CG1 3.73Å; F159-I253 HydrophobicContact CE1-CD1 4.26Å; F159-I253 HydrophobicContact CE1-CG1 3.74Å; F159-V256 HydrophobicContact CB-CG1 4.18Å; F159-V256 HydrophobicContact CB-CG2 4.14Å
160Q98.5Very high96.1Very high28 Ų2859.8 Ų59.813%0.13129%0.287CS..EExtended strand (participates in β ladder)trans-137.1129.8175-173.7170.631.900109.5G149 V236 S237 W239G149-Q160 WeakPolarHBondContact O-CG 3.34Å; G149-Q160 PolarHBondContact O-NE2 3.2Å; Q160-V236 CarbonylContact O-C 3.55Å; Q160-V236 WeakPolarHBondContact O-CA 3.11Å; Q160-S237 PolarHBondContact N-O 3.35Å; Q160-S237 PolarHBondContact O-N 2.99Å; Q160-W239 HydrophobicContact CB-CH2 4.16Å; Q160-W239 HydrophobicContact CB-CZ3 3.79Å
161A98.5Very high96Very high1 Ų153.1 Ų53.11%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-94.7141.7174.900000110.9G149 V235 V236 V256 Q260G149-A161 PolarHBondContact N-O 3.39Å; A161-V235 CarbonylContact C-O 3.57Å; A161-V235 WeakPolarHBondContact CA-O 3.21Å; A161-V236 HydrophobicContact CB-CG2 4.18Å; A161-V256 HydrophobicContact CB-CB 4.15Å; A161-V256 HydrophobicContact CB-CG2 4.07Å; A161-V256 WeakPolarHBondContact CB-O 3.15Å; A161-Q260 HydrophobicContact CB-CB 3.82Å; A161-Q260 HydrophobicContact CB-CG 4.32Å
162H98.4Very high95.8Very high1 Ų150.5 Ų50.51%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-126.5130.4174.1-52.5-79.3000107.8V146 S147 S148 L179 V234 V235V146-H162 HydrophobicContact CG1-CB 4.01Å; S147-H162 CarbonylContact O-C 3.58Å; S147-H162 WeakPolarHBondContact O-CA 2.87Å; S148-H162 VanDerWaalsContact CB-ND1 3.33Å; S148-H162 WeakPolarHBondContact CB-ND1 3.11Å; S148-H162 PolarHBondContact OG-CE1 2.67Å; S148-H162 PolarHBondContact OG-ND1 2.98Å; H162-L179 HydrophobicContact CB-CD1 3.86Å; H162-L179 HydrophobicContact CB-CD2 3.79Å; H162-L179 HydrophobicContact CB-CG 4.49Å; H162-V234 CarbonylContact O-C 3.53Å; H162-V234 WeakPolarHBondContact O-CA 3.45Å; H162-V235 HydrophobicContact CB-CB 4.33Å; H162-V235 PolarHBondContact N-O 3.29Å; H162-V235 PolarHBondContact O-N 3.11Å
163V98.2Very high95.5Very high1 Ų148.5 Ų48.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-130.3150.2-179.1-57.90000110.6S147 I233 V234 Q260 L261 E264 F266S147-V163 PolarHBondContact N-O 2.91Å; S147-V163 PolarHBondContact O-N 3.27Å; V163-I233 VanDerWaalsContact CA-O 3.28Å; V163-I233 WeakPolarHBondContact CA-O 3.45Å; V163-V234 HydrophobicContact CG1-CB 4.13Å; V163-V234 HydrophobicContact CG1-CG2 3.89Å; V163-Q260 HydrophobicContact CB-CG 4.32Å; V163-Q260 HydrophobicContact CG1-CB 4.2Å; V163-Q260 HydrophobicContact CG1-CG 3.75Å; V163-Q260 HydrophobicContact CG2-CG 3.68Å; V163-L261 HydrophobicContact CB-CD2 4.4Å; V163-L261 HydrophobicContact CG1-CD2 3.81Å; V163-L261 HydrophobicContact CG1-CG 4.01Å; V163-E264 HydrophobicContact CG2-CB 3.97Å; V163-E264 HydrophobicContact CG2-CG 3.49Å; V163-E264 VanDerWaalsContact CG2-CG 3.49Å; V163-F266 HydrophobicContact CB-CE2 4.19Å; V163-F266 HydrophobicContact CG2-CD2 4.33Å; V163-F266 HydrophobicContact CG2-CE2 3.92Å
164A97.9Very high95.3Very high3 Ų345.3 Ų45.33%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-151.5151.6174.700000110.4V144 V146 V175 A232 I233V144-A164 HydrophobicContact CG1-CB 4.26Å; V146-A164 HydrophobicContact CG2-CB 4.2Å; A164-V175 HydrophobicContact CB-CG1 4.09Å; A164-V175 HydrophobicContact CB-CG2 3.66Å; A164-A232 WeakPolarHBondContact O-CA 3.04Å; A164-I233 HydrophobicContact CB-CG2 3.96Å; A164-I233 PolarHBondContact N-O 2.84Å; A164-I233 PolarHBondContact O-N 3.27Å
165E97.2Very high95.3Very high113 Ų11343.5 Ų43.553%0.52821%0.21SC..EExtended strand (participates in β ladder)trans-72.2134.9167.6-170.4-173.9164.300109K167 N231 F266E165-K167 WeakPolarHBondContact OE1-CE 3.44Å; E165-K167 IonicContact OE1-NZ 2.99Å; E165-K167 PolarHBondContact OE1-NZ 3.07Å; E165-N231 CarbonylContact C-O 3.6Å; E165-N231 VanDerWaalsContact CA-O 3.3Å; E165-N231 WeakPolarHBondContact CA-O 3.32Å; E165-N231 WeakPolarHBondContact CG-O 3.49Å; E165-F266 HydrophobicContact CB-CE1 4.3Å; E165-F266 HydrophobicContact CB-CZ 4.21Å
166V96Very high95.3Very high0 Ų040.4 Ų40.40%020%0.2CC..  trans-138139.4178.2-69.20000110.1D171 V172 V175 I197 N231 A232 I233V166-D171 HydrophobicContact CB-CB 3.88Å; V166-D171 HydrophobicContact CG1-CB 3.84Å; V166-V172 HydrophobicContact CB-CG2 4.09Å; V166-V172 HydrophobicContact CG1-CG2 4.03Å; V166-V172 HydrophobicContact CG2-CG2 4.06Å; V166-V175 HydrophobicContact CG1-CG2 3.69Å; V166-I197 HydrophobicContact CB-CD1 4.38Å; V166-I197 HydrophobicContact CB-CG1 4.35Å; V166-I197 HydrophobicContact CG2-CD1 4.07Å; V166-I197 HydrophobicContact CG2-CG1 3.71Å; V166-N231 PolarHBondContact N-O 3.15Å; V166-N231 CarbonylContact O-C 3.49Å; V166-N231 WeakPolarHBondContact O-CA 3.23Å; V166-N231 VanDerWaalsContact O-CB 3.24Å; V166-N231 WeakPolarHBondContact O-CB 3.44Å; V166-A232 VanDerWaalsContact CG2-C 3.41Å; V166-I233 HydrophobicContact CG1-CB 4.25Å; V166-I233 HydrophobicContact CG1-CG2 3.62Å; V166-I233 HydrophobicContact CG2-CB 4.22Å; V166-I233 HydrophobicContact CG2-CG2 4.35Å
167K93.5Very high95.2Very high134 Ų13440.8 Ų40.858%0.58320%0.197SC*.SBendtrans-120.2-9.3-179.2-65.2175.7179.7159.80112.7E165 D171 I197E165-K167 WeakPolarHBondContact OE1-CE 3.44Å; E165-K167 IonicContact OE1-NZ 2.99Å; E165-K167 PolarHBondContact OE1-NZ 3.07Å; K167-D171 WeakPolarHBondContact CA-OD2 3.43Å; K167-D171 WeakPolarHBondContact CB-OD2 3.29Å; K167-D171 PolarHBondContact N-OD2 3.07Å; K167-I197 WeakPolarHBondContact O-CG2 3.16Å
168S91.8Very high95.2Very high33 Ų3343.7 Ų43.723%0.23122%0.218CC..SBendtrans-152.3171.7175.781.10000112E170 D171 V172 I197S168-E170 WeakPolarHBondContact CB-OE2 3.37Å; S168-E170 PolarHBondContact O-N 2.88Å; S168-E170 PolarHBondContact OG-N 2.94Å; S168-E170 PolarHBondContact OG-OE2 2.95Å; S168-D171 PolarHBondContact N-OD2 3.43Å; S168-D171 WeakPolarHBondContact O-CB 3.31Å; S168-D171 PolarHBondContact O-N 2.68Å; S168-D171 PolarHBondContact OG-N 2.98Å; S168-V172 PolarHBondContact O-N 3.04Å; S168-I197 WeakPolarHBondContact O-CD1 3.36Å
169K90.4Very high95Very high98 Ų9842.6 Ų42.643%0.42621%0.211SC..Hα-helixtrans-64.4-29.3174.3-69.7-173176.3-175.90111.6V172 A173 I205K169-V172 WeakPolarHBondContact O-CB 3.38Å; K169-V172 PolarHBondContact O-N 3.01Å; K169-A173 PolarHBondContact O-N 3.23Å; K169-I205 HydrophobicContact CD-CG2 4.35Å; K169-I205 HydrophobicContact CG-CG2 3.95Å
170E90.9Very high94.7Very high130 Ų13046.6 Ų46.661%0.60723%0.228SC*.Hα-helixtrans-66.9-37.7175.6-61.470.1-152.700111.5S168 A173 A174S168-E170 WeakPolarHBondContact CB-OE2 3.37Å; S168-E170 PolarHBondContact O-N 2.88Å; S168-E170 PolarHBondContact OG-N 2.94Å; S168-E170 PolarHBondContact OG-OE2 2.95Å; E170-A173 PolarHBondContact O-N 3.02Å; E170-A174 WeakPolarHBondContact O-CB 3.22Å; E170-A174 PolarHBondContact O-N 2.95Å
171D94.6Very high94.4Very high33 Ų3349 Ų4918%0.17625%0.254CS..Hα-helixtrans-63.6-44.2173-66.5-25.8000110.7V166 K167 S168 A173 A174 V175V166-D171 HydrophobicContact CB-CB 3.88Å; V166-D171 HydrophobicContact CG1-CB 3.84Å; K167-D171 WeakPolarHBondContact CA-OD2 3.43Å; K167-D171 WeakPolarHBondContact CB-OD2 3.29Å; K167-D171 PolarHBondContact N-OD2 3.07Å; S168-D171 PolarHBondContact N-OD2 3.43Å; S168-D171 WeakPolarHBondContact O-CB 3.31Å; S168-D171 PolarHBondContact O-N 2.68Å; S168-D171 PolarHBondContact OG-N 2.98Å; D171-A173 PolarHBondContact O-N 3.09Å; D171-A174 CarbonylContact O-C 3.57Å; D171-A174 WeakPolarHBondContact O-CB 3.26Å; D171-A174 PolarHBondContact O-N 2.96Å; D171-A174 VanDerWaalsContact O-N 3.1Å; D171-V175 VanDerWaalsContact O-CG2 3.27Å; D171-V175 WeakPolarHBondContact O-CG2 3.43Å; D171-V175 PolarHBondContact O-N 2.96Å
172V93.6Very high94Very high9 Ų952.6 Ų52.66%0.05527%0.272CS..Hα-helixtrans-55.7-50174.5168.70000110.8V166 S168 K169 A174 V175 L176 Y195 I197 I233V166-V172 HydrophobicContact CB-CG2 4.09Å; V166-V172 HydrophobicContact CG1-CG2 4.03Å; V166-V172 HydrophobicContact CG2-CG2 4.06Å; S168-V172 PolarHBondContact O-N 3.04Å; K169-V172 WeakPolarHBondContact O-CB 3.38Å; K169-V172 PolarHBondContact O-N 3.01Å; V172-A174 VanDerWaalsContact C-N 3.28Å; V172-A174 PolarHBondContact O-N 2.8Å; V172-V175 WeakPolarHBondContact O-CB 3.49Å; V172-V175 PolarHBondContact O-N 2.74Å; V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 WeakPolarHBondContact O-CG 3.31Å; V172-L176 PolarHBondContact O-N 3.18Å; V172-Y195 HydrophobicContact CB-CD1 4.44Å; V172-Y195 HydrophobicContact CG1-CD1 3.77Å; V172-Y195 HydrophobicContact CG1-CE1 3.84Å; V172-Y195 HydrophobicContact CG1-CG 4.47Å; V172-Y195 HydrophobicContact CG2-CD1 3.84Å; V172-Y195 HydrophobicContact CG2-CD2 3.92Å; V172-Y195 HydrophobicContact CG2-CE1 4.18Å; V172-Y195 HydrophobicContact CG2-CE2 4.3Å; V172-Y195 HydrophobicContact CG2-CG 3.69Å; V172-I197 HydrophobicContact CG2-CD1 3.98Å; V172-I233 HydrophobicContact CG1-CD1 3.76Å; V172-I233 HydrophobicContact CG2-CD1 4.47Å
173A92.4Very high93.6Very high36 Ų3655.9 Ų55.930%0.29829%0.294SS..Hα-helixtrans-62-35.9177.300000112.2K169 E170 D171 R177K169-A173 PolarHBondContact O-N 3.23Å; E170-A173 PolarHBondContact O-N 3.02Å; D171-A173 PolarHBondContact O-N 3.09Å; A173-R177 WeakPolarHBondContact O-CB 3.24Å; A173-R177 VanDerWaalsContact O-CG 3.31Å; A173-R177 WeakPolarHBondContact O-CG 3.18Å; A173-R177 PolarHBondContact O-N 2.65Å
174A93.6Very high93.4Very high14 Ų1462 Ų6212%0.11632%0.32CS..Hα-helixtrans-68.9-40.1176.100000112.7V144 E170 D171 V172 S178V144-A174 HydrophobicContact CG2-CB 3.6Å; E170-A174 WeakPolarHBondContact O-CB 3.22Å; E170-A174 PolarHBondContact O-N 2.95Å; D171-A174 CarbonylContact O-C 3.57Å; D171-A174 WeakPolarHBondContact O-CB 3.26Å; D171-A174 PolarHBondContact O-N 2.96Å; D171-A174 VanDerWaalsContact O-N 3.1Å; V172-A174 VanDerWaalsContact C-N 3.28Å; V172-A174 PolarHBondContact O-N 2.8Å; A174-S178 WeakPolarHBondContact O-CB 3.41Å; A174-S178 PolarHBondContact O-N 2.86Å
175V95.9Very high93.2Very high1 Ų162.1 Ų62.11%0.00632%0.321CS..Hα-helixtrans-58-52.2172.2174.60000110.4V144 V146 A164 V166 D171 V172 R177 S178 L179 I233V144-V175 HydrophobicContact CB-CG2 4.48Å; V144-V175 HydrophobicContact CG1-CB 4.13Å; V144-V175 HydrophobicContact CG1-CG2 3.25Å; V146-V175 HydrophobicContact CG2-CG1 3.94Å; A164-V175 HydrophobicContact CB-CG1 4.09Å; A164-V175 HydrophobicContact CB-CG2 3.66Å; V166-V175 HydrophobicContact CG1-CG2 3.69Å; D171-V175 VanDerWaalsContact O-CG2 3.27Å; D171-V175 WeakPolarHBondContact O-CG2 3.43Å; D171-V175 PolarHBondContact O-N 2.96Å; V172-V175 WeakPolarHBondContact O-CB 3.49Å; V172-V175 PolarHBondContact O-N 2.74Å; V175-R177 PolarHBondContact O-N 2.88Å; V175-S178 WeakPolarHBondContact O-CB 3.28Å; V175-S178 PolarHBondContact O-N 2.99Å; V175-S178 VanDerWaalsContact O-N 3.15Å; V175-L179 HydrophobicContact CG1-CD1 3.92Å; V175-L179 HydrophobicContact CG1-CG 4.5Å; V175-L179 PolarHBondContact O-N 3.37Å; V175-I233 HydrophobicContact CB-CG2 4.18Å; V175-I233 HydrophobicContact CG1-CG2 3.82Å; V175-I233 HydrophobicContact CG2-CG2 3.86Å
176L94.8Very high92.9Very high24 Ų2459 Ų5913%0.12631%0.314CS..Hα-helixtrans-61.3-44.6-178.2-67.7174.3000111.5V172 S178 L179 F180 Y193 I233 V235V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 WeakPolarHBondContact O-CG 3.31Å; V172-L176 PolarHBondContact O-N 3.18Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 3.03Å; L176-L179 PolarHBondContact O-N 2.87Å; L176-F180 HydrophobicContact CB-CE2 4.39Å; L176-F180 HydrophobicContact CD2-CE2 4.45Å; L176-F180 HydrophobicContact CD2-CZ 4.36Å; L176-F180 WeakPolarHBondContact O-CB 3.33Å; L176-F180 WeakPolarHBondContact O-CD2 3.46Å; L176-F180 WeakPolarHBondContact O-CG 3.37Å; L176-F180 PolarHBondContact O-N 3.2Å; L176-Y193 HydrophobicContact CD1-CD1 4.45Å; L176-Y193 HydrophobicContact CD1-CE1 4.03Å; L176-Y193 HydrophobicContact CD2-CD1 4.03Å; L176-Y193 HydrophobicContact CD2-CE1 4.39Å; L176-Y193 HydrophobicContact CD2-CG 4.38Å; L176-I233 HydrophobicContact CD2-CD1 4.32Å; L176-I233 HydrophobicContact CG-CD1 4.43Å; L176-V235 HydrophobicContact CD2-CG2 3.86Å
177R93.2Very high92.7Very high164 Ų16468.3 Ų68.362%0.61935%0.349SS*.Hα-helixtrans-59-42.6173.8-76.4-171-59.1-101.6-0.5112.4A173 V175 A181A173-R177 WeakPolarHBondContact O-CB 3.24Å; A173-R177 VanDerWaalsContact O-CG 3.31Å; A173-R177 WeakPolarHBondContact O-CG 3.18Å; A173-R177 PolarHBondContact O-N 2.65Å; V175-R177 PolarHBondContact O-N 2.88Å; R177-A181 PolarHBondContact O-N 3Å
178S93.9Very high92.8Very high62 Ų6262.5 Ų62.543%0.43433%0.326SS..Hα-helixtrans-64.3-45.2178.6-1740000111.8A174 V175 L176 A181A174-S178 WeakPolarHBondContact O-CB 3.41Å; A174-S178 PolarHBondContact O-N 2.86Å; V175-S178 WeakPolarHBondContact O-CB 3.28Å; V175-S178 PolarHBondContact O-N 2.99Å; V175-S178 VanDerWaalsContact O-N 3.15Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 3.03Å; S178-A181 WeakPolarHBondContact O-CB 3.4Å; S178-A181 PolarHBondContact O-N 3.45Å
179L93.5Very high92.9Very high9 Ų964.1 Ų64.15%0.04734%0.335CS..Hα-helixtrans-64.1-45177.2-79.7172.2000112.3V146 H162 V175 L176 A181 N182 I185 V235V146-L179 HydrophobicContact CG1-CD1 4.12Å; V146-L179 HydrophobicContact CG1-CD2 3.72Å; V146-L179 HydrophobicContact CG1-CG 3.97Å; H162-L179 HydrophobicContact CB-CD1 3.86Å; H162-L179 HydrophobicContact CB-CD2 3.79Å; H162-L179 HydrophobicContact CB-CG 4.49Å; V175-L179 HydrophobicContact CG1-CD1 3.92Å; V175-L179 HydrophobicContact CG1-CG 4.5Å; V175-L179 PolarHBondContact O-N 3.37Å; L176-L179 PolarHBondContact O-N 2.87Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.39Å; L179-N182 VanDerWaalsContact O-CB 3.31Å; L179-N182 WeakPolarHBondContact O-CB 3.15Å; L179-N182 PolarHBondContact O-N 3.45Å; L179-I185 HydrophobicContact CB-CG2 4.37Å; L179-I185 HydrophobicContact CD2-CD1 3.74Å; L179-V235 HydrophobicContact CD1-CB 3.92Å; L179-V235 HydrophobicContact CD1-CG1 4.32Å; L179-V235 HydrophobicContact CD1-CG2 3.64Å
180F92.6Very high93.1Very high84 Ų8461.1 Ų61.137%0.36832%0.322SS..Hα-helixtrans-77.8-10.4-178.9-61-23.4000113.9L176 N182 I185 A186 N191L176-F180 HydrophobicContact CB-CE2 4.39Å; L176-F180 HydrophobicContact CD2-CE2 4.45Å; L176-F180 HydrophobicContact CD2-CZ 4.36Å; L176-F180 WeakPolarHBondContact O-CB 3.33Å; L176-F180 WeakPolarHBondContact O-CD2 3.46Å; L176-F180 WeakPolarHBondContact O-CG 3.37Å; L176-F180 PolarHBondContact O-N 3.2Å; F180-N182 PolarHBondContact O-N 3.26Å; F180-I185 HydrophobicContact CD1-CG2 4.13Å; F180-I185 HydrophobicContact CE1-CG2 4.31Å; F180-A186 HydrophobicContact CB-CB 4.32Å; F180-N191 HydrophobicContact CE1-CB 3.75Å; F180-N191 HydrophobicContact CZ-CB 3.87Å
181A91.1Very high93.3Very high80 Ų8055.4 Ų55.466%0.66130%0.296SS*.THydrogen-bonded Turntrans-64.3-20.4163.800000112R177 S178 L179 P183R177-A181 PolarHBondContact O-N 3Å; S178-A181 WeakPolarHBondContact O-CB 3.4Å; S178-A181 PolarHBondContact O-N 3.45Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.39Å; A181-P183 VanDerWaalsContact O-CD 3.32Å; A181-P183 WeakPolarHBondContact O-CD 3.22Å
182N90.8Very high93.4Very high75 Ų7553.8 Ų53.840%0.40129%0.287SS..SBendtrans-83.9113.2170.4-174.4-22.8000110.8L179 F180 K184 I185 A186L179-N182 VanDerWaalsContact O-CB 3.31Å; L179-N182 WeakPolarHBondContact O-CB 3.15Å; L179-N182 PolarHBondContact O-N 3.45Å; F180-N182 PolarHBondContact O-N 3.26Å; N182-K184 PolarHBondContact O-N 3.26Å; N182-K184 WeakPolarHBondContact OD1-CB 3.28Å; N182-K184 PolarHBondContact OD1-N 3.33Å; N182-I185 HydrophobicContact CB-CB 4.32Å; N182-I185 HydrophobicContact CB-CD1 4.06Å; N182-I185 HydrophobicContact CB-CG1 4.16Å; N182-I185 PolarHBondContact O-N 2.97Å; N182-I185 VanDerWaalsContact O-N 3.09Å; N182-A186 PolarHBondContact O-N 3.33Å
183P91Very high93.5Very high71 Ų7154.8 Ų54.846%0.46129%0.29SS..THydrogen-bonded Turntrans-64.3-17.9-176.7-2234.1000114.8A181 R187A181-P183 VanDerWaalsContact O-CD 3.32Å; A181-P183 WeakPolarHBondContact O-CD 3.22Å; P183-R187 WeakPolarHBondContact O-CB 3.38Å; P183-R187 WeakPolarHBondContact O-CG 3.47Å; P183-R187 PolarHBondContact O-N 2.86Å
184K92.8Very high93.8Very high129 Ų12953 Ų5356%0.56128%0.276SS*.THydrogen-bonded Turntrans-73.2-42.5175.6-174-174.9174.9-169.50111N182 A188 W239N182-K184 PolarHBondContact O-N 3.26Å; N182-K184 WeakPolarHBondContact OD1-CB 3.28Å; N182-K184 PolarHBondContact OD1-N 3.33Å; K184-A188 PolarHBondContact O-N 2.72Å; K184-W239 HydrophobicContact CG-CZ2 4.12Å; K184-W239 WeakPolarHBondContact O-CZ2 3.41Å; K184-W239 PolarHBondContact O-NE1 2.93Å
185I93.9Very high93.9Very high6 Ų653 Ų533%0.03127%0.273CS..THydrogen-bonded Turntrans-73.6-47.8-179.9-61.3-179.9000109.5L179 F180 N182 R187 A188 N191 S237L179-I185 HydrophobicContact CB-CG2 4.37Å; L179-I185 HydrophobicContact CD2-CD1 3.74Å; F180-I185 HydrophobicContact CD1-CG2 4.13Å; F180-I185 HydrophobicContact CE1-CG2 4.31Å; N182-I185 HydrophobicContact CB-CB 4.32Å; N182-I185 HydrophobicContact CB-CD1 4.06Å; N182-I185 HydrophobicContact CB-CG1 4.16Å; N182-I185 PolarHBondContact O-N 2.97Å; N182-I185 VanDerWaalsContact O-N 3.09Å; I185-R187 PolarHBondContact O-N 3.42Å; I185-A188 VanDerWaalsContact O-CB 3.26Å; I185-A188 WeakPolarHBondContact O-CB 3.28Å; I185-A188 PolarHBondContact O-N 3.35Å; I185-N191 PolarHBondContact O-ND2 3.02Å; I185-N191 PolarHBondContact O-OD1 2.95Å; I185-S237 WeakPolarHBondContact CG2-OG 3.33Å
186A91.6Very high93.9Very high48 Ų4853.4 Ų53.440%0.39727%0.274SS..THydrogen-bonded Turntrans-59.5-21.6177.400000114F180 N182F180-A186 HydrophobicContact CB-CB 4.32Å; N182-A186 PolarHBondContact O-N 3.33Å
187R91.3Very high93.9Very high194 Ų19452.3 Ų52.373%0.73227%0.269SS*.THydrogen-bonded Turntrans-101.311.4175.6-66.1-176.9-172.5120.4-3.6113.7P183 I185P183-R187 WeakPolarHBondContact O-CB 3.38Å; P183-R187 WeakPolarHBondContact O-CG 3.47Å; P183-R187 PolarHBondContact O-N 2.86Å; I185-R187 PolarHBondContact O-N 3.42Å
188A94.4Very high93.9Very high12 Ų1248.3 Ų48.310%0.09926%0.257CS..SBendtrans-58.1151.4167.800000109.9K184 I185 H190 W239K184-A188 PolarHBondContact O-N 2.72Å; I185-A188 VanDerWaalsContact O-CB 3.26Å; I185-A188 WeakPolarHBondContact O-CB 3.28Å; I185-A188 PolarHBondContact O-N 3.35Å; A188-H190 PolarHBondContact O-N 2.92Å; A188-W239 HydrophobicContact CB-CD2 4.2Å; A188-W239 HydrophobicContact CB-CG 4.43Å; A188-W239 HydrophobicContact CB-CZ2 4.04Å
189T94Very high93.3Very high67 Ų6746.2 Ų46.241%0.41125%0.245SC..SBendtrans-63.3-37.3176.4-510000110.6R238 Y240T189-R238 WeakPolarHBondContact CA-O 3.47Å; T189-R238 VanDerWaalsContact CB-O 3.32Å; T189-R238 WeakPolarHBondContact CB-O 3.28Å; T189-R238 PolarHBondContact N-O 3.16Å; T189-Y240 WeakPolarHBondContact OG1-CB 3.33Å; T189-Y240 PolarHBondContact OG1-N 3.22Å
190H94.8Very high92.6Very high35 Ų3553.3 Ų53.316%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-144141.7174-53-70.7000109.6A188 M192 D211 E213 S237 R238A188-H190 PolarHBondContact O-N 2.92Å; H190-M192 HydrophobicContact CB-CE 4.36Å; H190-M192 HydrophobicContact CB-CG 4.39Å; H190-D211 WeakPolarHBondContact CA-OD2 3.37Å; H190-D211 PolarHBondContact ND1-O 3.27Å; H190-E213 HydrophobicContact CB-CB 3.94Å; H190-E213 IonicContact CD2-OE2 3.91Å; H190-E213 PolarHBondContact CD2-OE2 3.26Å; H190-E213 IonicContact CG-OE2 2.85Å; H190-E213 PolarHBondContact ND1-N 3.28Å; H190-E213 IonicContact NE2-OE2 3.28Å; H190-S237 CarbonylContact O-C 3.53Å; H190-S237 WeakPolarHBondContact O-CA 3.31Å; H190-R238 PolarHBondContact N-O 2.86Å; H190-R238 VanDerWaalsContact N-O 3.13Å; H190-R238 PolarHBondContact O-N 2.75Å
191N95.6Very high91.7Very high10 Ų1053.3 Ų53.35%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-123.766.4173.2-70.6-67.1000109.4F180 I185 D211 V235 S237F180-N191 HydrophobicContact CE1-CB 3.75Å; F180-N191 HydrophobicContact CZ-CB 3.87Å; I185-N191 PolarHBondContact O-ND2 3.02Å; I185-N191 PolarHBondContact O-OD1 2.95Å; N191-D211 PolarHBondContact N-OD2 3.42Å; N191-V235 HydrophobicContact CB-CG1 4.43Å; N191-S237 WeakPolarHBondContact OD1-CB 3.42Å; N191-S237 PolarHBondContact OD1-OG 3.05Å
192M95.9Very high90.9Very high0 Ų051.6 Ų51.60%030%0.297CS..EExtended strand (participates in β ladder)trans-70143.4-178.82.397.3-162.800109.8H190 D209 E213 A216 L220 V235 V236 R238 I253H190-M192 HydrophobicContact CB-CE 4.36Å; H190-M192 HydrophobicContact CB-CG 4.39Å; M192-D209 CarbonylContact C-O 3.45Å; M192-D209 VanDerWaalsContact CA-O 3.29Å; M192-D209 WeakPolarHBondContact CA-O 3.38Å; M192-D209 WeakPolarHBondContact CB-O 3.35Å; M192-E213 HydrophobicContact CE-CG 4.36Å; M192-E213 HydrophobicContact CG-CB 3.97Å; M192-E213 HydrophobicContact CG-CG 4.37Å; M192-A216 HydrophobicContact CB-CB 3.94Å; M192-A216 HydrophobicContact CG-CB 3.57Å; M192-A216 HydrophobicContact SD-CB 3.92Å; M192-L220 HydrophobicContact CB-CD1 4.3Å; M192-L220 HydrophobicContact SD-CD1 4.38Å; M192-V235 CarbonylContact O-C 3.54Å; M192-V235 WeakPolarHBondContact O-CA 3.32Å; M192-V236 HydrophobicContact CE-CB 4.32Å; M192-V236 HydrophobicContact CE-CG1 3.97Å; M192-V236 WeakPolarHBondContact CE-O 3.29Å; M192-V236 PolarHBondContact N-O 2.64Å; M192-V236 VanDerWaalsContact N-O 3.16Å; M192-V236 PolarHBondContact O-N 2.96Å; M192-V236 HydrophobicContact SD-CB 3.59Å; M192-V236 VanDerWaalsContact SD-CB 3.59Å; M192-V236 HydrophobicContact SD-CG1 3.84Å; M192-R238 HydrophobicContact CE-CB 3.48Å; M192-R238 VanDerWaalsContact CE-CB 3.48Å; M192-I253 HydrophobicContact CE-CD1 3.61Å; M192-I253 HydrophobicContact CE-CG1 3.74Å; M192-I253 HydrophobicContact SD-CD1 3.87Å; M192-I253 HydrophobicContact SD-CG1 3.96Å; M192-I253 HydrophobicContact SD-CG2 3.8Å
193Y97.5Very high90.3Very high29 Ų2948.8 Ų48.811%0.11428%0.283CS..EExtended strand (participates in β ladder)trans-142.1160.3178.970.1-100.5000113L176 Y195 C208 D209 I233 V234L176-Y193 HydrophobicContact CD1-CD1 4.45Å; L176-Y193 HydrophobicContact CD1-CE1 4.03Å; L176-Y193 HydrophobicContact CD2-CD1 4.03Å; L176-Y193 HydrophobicContact CD2-CE1 4.39Å; L176-Y193 HydrophobicContact CD2-CG 4.38Å; Y193-Y195 HydrophobicContact CD2-CD1 4.28Å; Y193-Y195 HydrophobicContact CE2-CD1 4.17Å; Y193-Y195 HydrophobicContact CE2-CE1 4.24Å; Y193-C208 CarbonylContact O-C 3.56Å; Y193-C208 WeakPolarHBondContact O-CA 3.2Å; Y193-C208 VanDerWaalsContact O-CB 3.24Å; Y193-C208 WeakPolarHBondContact O-CB 3.01Å; Y193-D209 HydrophobicContact CD1-CB 3.83Å; Y193-D209 HydrophobicContact CE1-CB 3.31Å; Y193-D209 HydrophobicContact CE2-CB 4.08Å; Y193-D209 HydrophobicContact CG-CB 4.41Å; Y193-D209 VanDerWaalsContact CZ-CB 3.44Å; Y193-D209 PolarHBondContact N-O 2.94Å; Y193-D209 PolarHBondContact O-N 2.76Å; Y193-I233 HydrophobicContact CD2-CD1 4.26Å; Y193-V234 CarbonylContact C-O 3.52Å; Y193-V234 WeakPolarHBondContact CA-O 3.31Å; Y193-V234 VanDerWaalsContact CB-O 3.28Å; Y193-V234 WeakPolarHBondContact CB-O 3.49Å
194A96.9Very high90Very high0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-146.9150.7165.500000109.6D207 C208 L220 L221 L224 I233 V234A194-D207 CarbonylContact C-O 3.59Å; A194-D207 VanDerWaalsContact CA-O 3.31Å; A194-D207 WeakPolarHBondContact CA-O 3.5Å; A194-C208 HydrophobicContact CB-CB 3.84Å; A194-L220 HydrophobicContact CB-CB 3.7Å; A194-L221 HydrophobicContact CB-CB 3.78Å; A194-L221 HydrophobicContact CB-CD1 4.49Å; A194-L221 VanDerWaalsContact CB-N 3.3Å; A194-L224 HydrophobicContact CB-CD1 3.94Å; A194-I233 WeakPolarHBondContact O-CA 3.45Å; A194-V234 HydrophobicContact CB-CG1 4.45Å; A194-V234 PolarHBondContact N-O 2.89Å; A194-V234 PolarHBondContact O-N 2.78Å
195Y97.1Very high89.9Confident13 Ų1343.2 Ų43.25%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-141.1156.8173.966.7-97.4000111.4V172 Y193 I197 I205 Q206 D207 A232 I233V172-Y195 HydrophobicContact CB-CD1 4.44Å; V172-Y195 HydrophobicContact CG1-CD1 3.77Å; V172-Y195 HydrophobicContact CG1-CE1 3.84Å; V172-Y195 HydrophobicContact CG1-CG 4.47Å; V172-Y195 HydrophobicContact CG2-CD1 3.84Å; V172-Y195 HydrophobicContact CG2-CD2 3.92Å; V172-Y195 HydrophobicContact CG2-CE1 4.18Å; V172-Y195 HydrophobicContact CG2-CE2 4.3Å; V172-Y195 HydrophobicContact CG2-CG 3.69Å; Y193-Y195 HydrophobicContact CD2-CD1 4.28Å; Y193-Y195 HydrophobicContact CE2-CD1 4.17Å; Y193-Y195 HydrophobicContact CE2-CE1 4.24Å; Y195-I197 HydrophobicContact CD2-CD1 3.86Å; Y195-I197 HydrophobicContact CD2-CG1 4.2Å; Y195-I197 HydrophobicContact CE2-CD1 4.08Å; Y195-I205 HydrophobicContact CE2-CG2 4.28Å; Y195-Q206 VanDerWaalsContact O-CA 3.24Å; Y195-Q206 WeakPolarHBondContact O-CA 3.13Å; Y195-Q206 VanDerWaalsContact O-CB 3.28Å; Y195-Q206 WeakPolarHBondContact O-CB 3.32Å; Y195-D207 HydrophobicContact CD1-CB 4.46Å; Y195-D207 HydrophobicContact CE1-CB 3.58Å; Y195-D207 HydrophobicContact CE2-CB 4.29Å; Y195-D207 VanDerWaalsContact CZ-CB 3.46Å; Y195-D207 PolarHBondContact N-O 3.06Å; Y195-D207 PolarHBondContact O-N 3.5Å; Y195-D207 VanDerWaalsContact OH-CB 3.25Å; Y195-D207 WeakPolarHBondContact OH-CB 3.39Å; Y195-A232 CarbonylContact C-O 3.54Å; Y195-A232 WeakPolarHBondContact CA-O 3.33Å; Y195-A232 WeakPolarHBondContact CB-O 3.5Å; Y195-I233 HydrophobicContact CD1-CD1 4.44Å
196R95.8Very high89.8Confident9 Ų943.9 Ų43.93%0.03425%0.254CS..EExtended strand (participates in β ladder)trans-138.8124.9171.1-62.9-176.574.5-149.118.2109.2W204 Q206 L221 L224 D225 V229 N231 A232R196-W204 HydrophobicContact CB-CE3 4.04Å; R196-W204 HydrophobicContact CB-CZ3 4.2Å; R196-Q206 HydrophobicContact CB-CB 4.37Å; R196-Q206 HydrophobicContact CG-CB 3.89Å; R196-L221 HydrophobicContact CG-CD1 3.68Å; R196-L224 HydrophobicContact CG-CB 3.99Å; R196-L224 HydrophobicContact CG-CD1 4.08Å; R196-L224 PolarHBondContact NH1-O 3.35Å; R196-D225 IonicContact CZ-OD1 2.55Å; R196-D225 VanDerWaalsContact CZ-OD1 3.31Å; R196-D225 IonicContact NH1-OD1 3.75Å; R196-D225 IonicContact NH2-OD1 2.79Å; R196-D225 PolarHBondContact NH2-OD1 3.46Å; R196-V229 PolarHBondContact NH1-O 3.41Å; R196-N231 CarbonylContact O-C 3.56Å; R196-N231 VanDerWaalsContact O-CA 3.22Å; R196-N231 WeakPolarHBondContact O-CA 3.08Å; R196-N231 PolarHBondContact O-N 3.34Å; R196-A232 PolarHBondContact N-O 2.79Å; R196-A232 PolarHBondContact O-N 2.94Å
197I94.5Very high89.8Confident1 Ų142.5 Ų42.51%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-122.4126.9178.5-62.5157.1000107.2V166 K167 S168 V172 Y195 G199 I205V166-I197 HydrophobicContact CB-CD1 4.38Å; V166-I197 HydrophobicContact CB-CG1 4.35Å; V166-I197 HydrophobicContact CG2-CD1 4.07Å; V166-I197 HydrophobicContact CG2-CG1 3.71Å; K167-I197 WeakPolarHBondContact O-CG2 3.16Å; S168-I197 WeakPolarHBondContact O-CD1 3.36Å; V172-I197 HydrophobicContact CG2-CD1 3.98Å; Y195-I197 HydrophobicContact CD2-CD1 3.86Å; Y195-I197 HydrophobicContact CD2-CG1 4.2Å; Y195-I197 HydrophobicContact CE2-CD1 4.08Å; I197-G199 PolarHBondContact O-N 3.13Å; I197-I205 HydrophobicContact CB-CB 4.16Å; I197-I205 WeakPolarHBondContact CB-O 3.3Å; I197-I205 PolarHBondContact N-O 2.91Å; I197-I205 PolarHBondContact O-N 2.67Å
198E92.3Very high89.9Confident80 Ų8033.3 Ų33.337%0.37421%0.206SC..EExtended strand (participates in β ladder)trans-77.4108.5176.5-171.6168.2-155.200108.2W204 R230 N231E198-W204 HydrophobicContact CB-CE3 4.35Å; E198-W204 HydrophobicContact CB-CH2 3.95Å; E198-W204 HydrophobicContact CB-CZ3 3.8Å; E198-W204 HydrophobicContact CG-CH2 4.24Å; E198-W204 HydrophobicContact CG-CZ2 4.5Å; E198-W204 HydrophobicContact CG-CZ3 4.5Å; E198-R230 IonicContact OE1-CZ 3.62Å; E198-R230 IonicContact OE1-NH1 2.67Å; E198-R230 PolarHBondContact OE1-NH1 3.49Å; E198-R230 WeakPolarHBondContact OE2-CD 3.42Å; E198-R230 IonicContact OE2-NH1 3.72Å; E198-R230 PolarHBondContact OE2-NH1 2.91Å; E198-N231 PolarHBondContact N-OD1 3.32Å
199G82.4Confident89.7Confident18 Ų1834.1 Ų34.119%0.18621%0.209CC..  trans-84.2179.917500000112.5I197 V203I197-G199 PolarHBondContact O-N 3.13Å; G199-V203 VanDerWaalsContact CA-O 3.25Å; G199-V203 WeakPolarHBondContact CA-O 3.37Å; G199-V203 PolarHBondContact N-O 3.03Å
200N79.4Confident89.5Confident159 Ų15932.3 Ų32.385%0.8520%0.196SC*.G310 helixtrans-67.8141.7176.1-72.226.4000110.7G202 V203N200-G202 VanDerWaalsContact C-N 3.33Å; N200-G202 PolarHBondContact O-N 2.79Å; N200-V203 WeakPolarHBondContact O-CG2 3.38Å
201G73Confident89.3Confident84 Ų8434 Ų3487%0.86621%0.207SC*.G310 helixtrans76.812.717400000115.4
202G74.2Confident88.9Confident43 Ų4336 Ų3644%0.44323%0.23SC..G310 helixtrans86.65.3-179.200000114.4N200N200-G202 VanDerWaalsContact C-N 3.33Å; N200-G202 PolarHBondContact O-N 2.79Å
203V77.2Confident88.5Confident17 Ų1736.3 Ų36.310%0.10323%0.231CC..  trans-70.3135.1173.5-1760000109.7F31 E48 G199 N200F31-V203 HydrophobicContact CD1-CG2 3.99Å; F31-V203 HydrophobicContact CD2-CG2 3.76Å; F31-V203 HydrophobicContact CE1-CB 4.44Å; F31-V203 HydrophobicContact CE1-CG2 3.64Å; F31-V203 HydrophobicContact CE2-CB 4.21Å; F31-V203 HydrophobicContact CE2-CG1 3.81Å; F31-V203 HydrophobicContact CE2-CG2 3.4Å; F31-V203 HydrophobicContact CG-CG2 4.08Å; F31-V203 HydrophobicContact CZ-CB 3.96Å; F31-V203 HydrophobicContact CZ-CG1 3.66Å; F31-V203 HydrophobicContact CZ-CG2 3.37Å; E48-V203 WeakPolarHBondContact OE2-CG1 3.27Å; G199-V203 VanDerWaalsContact CA-O 3.25Å; G199-V203 WeakPolarHBondContact CA-O 3.37Å; G199-V203 PolarHBondContact N-O 3.03Å; N200-V203 WeakPolarHBondContact O-CG2 3.38Å
204W86.1Confident87.7Confident41 Ų4139.4 Ų39.416%0.15525%0.25CC..EExtended strand (participates in β ladder)trans-101.7116.6176.4-73.494000110R196 E198 Q206 R230R196-W204 HydrophobicContact CB-CE3 4.04Å; R196-W204 HydrophobicContact CB-CZ3 4.2Å; E198-W204 HydrophobicContact CB-CE3 4.35Å; E198-W204 HydrophobicContact CB-CH2 3.95Å; E198-W204 HydrophobicContact CB-CZ3 3.8Å; E198-W204 HydrophobicContact CG-CH2 4.24Å; E198-W204 HydrophobicContact CG-CZ2 4.5Å; E198-W204 HydrophobicContact CG-CZ3 4.5Å; W204-Q206 HydrophobicContact CB-CG 4.33Å; W204-Q206 PolarHBondContact O-N 3.09Å; W204-R230 HydrophobicContact CH2-CB 4Å; W204-R230 HydrophobicContact CH2-CG 3.7Å; W204-R230 HydrophobicContact CZ3-CB 4.23Å; W204-R230 HydrophobicContact CZ3-CG 4.38Å
205I89.7Confident87.1Confident42 Ų4243 Ų4322%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-83.2100165.3-50.7172.2000106.4V64 K169 Y195 I197V64-I205 HydrophobicContact CG1-CG2 4.43Å; V64-I205 HydrophobicContact CG2-CG1 4.24Å; K169-I205 HydrophobicContact CD-CG2 4.35Å; K169-I205 HydrophobicContact CG-CG2 3.95Å; Y195-I205 HydrophobicContact CE2-CG2 4.28Å; I197-I205 HydrophobicContact CB-CB 4.16Å; I197-I205 WeakPolarHBondContact CB-O 3.3Å; I197-I205 PolarHBondContact N-O 2.91Å; I197-I205 PolarHBondContact O-N 2.67Å
206Q92.9Very high86.6Confident20 Ų2042.3 Ų42.39%0.09326%0.264CS..EExtended strand (participates in β ladder)trans-134.5147.2-177.662.6-172-10.700110.8S66 Y195 R196 W204 L221S66-Q206 PolarHBondContact OG-O 3.07Å; S66-Q206 VanDerWaalsContact OG-O 3.07Å; Y195-Q206 VanDerWaalsContact O-CA 3.24Å; Y195-Q206 WeakPolarHBondContact O-CA 3.13Å; Y195-Q206 VanDerWaalsContact O-CB 3.28Å; Y195-Q206 WeakPolarHBondContact O-CB 3.32Å; R196-Q206 HydrophobicContact CB-CB 4.37Å; R196-Q206 HydrophobicContact CG-CB 3.89Å; W204-Q206 HydrophobicContact CB-CG 4.33Å; W204-Q206 PolarHBondContact O-N 3.09Å; Q206-L221 HydrophobicContact CB-CD1 3.97Å; Q206-L221 HydrophobicContact CG-CD1 4.41Å
207D91.6Very high86.3Confident18 Ų1841.9 Ų41.910%0.09626%0.262CS..EExtended strand (participates in β ladder)trans-160.2171.1172.6-155.56.7000111.1K75 A194 Y195K75-D207 WeakPolarHBondContact CE-OD1 3.24Å; K75-D207 IonicContact NZ-OD1 2.64Å; K75-D207 PolarHBondContact NZ-OD1 2.85Å; K75-D207 IonicContact NZ-OD2 3.55Å; K75-D207 PolarHBondContact NZ-OD2 3.16Å; A194-D207 CarbonylContact C-O 3.59Å; A194-D207 VanDerWaalsContact CA-O 3.31Å; A194-D207 WeakPolarHBondContact CA-O 3.5Å; Y195-D207 HydrophobicContact CD1-CB 4.46Å; Y195-D207 HydrophobicContact CE1-CB 3.58Å; Y195-D207 HydrophobicContact CE2-CB 4.29Å; Y195-D207 VanDerWaalsContact CZ-CB 3.46Å; Y195-D207 PolarHBondContact N-O 3.06Å; Y195-D207 PolarHBondContact O-N 3.5Å; Y195-D207 VanDerWaalsContact OH-CB 3.25Å; Y195-D207 WeakPolarHBondContact OH-CB 3.39Å
208C92.3Very high85.9Confident2 Ų242.6 Ų42.61%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-148.9158.9175.563.30000112.8K75 Y193 A194 G217 L221K75-C208 PolarHBondContact NZ-O 3.43Å; Y193-C208 CarbonylContact O-C 3.56Å; Y193-C208 WeakPolarHBondContact O-CA 3.2Å; Y193-C208 VanDerWaalsContact O-CB 3.24Å; Y193-C208 WeakPolarHBondContact O-CB 3.01Å; A194-C208 HydrophobicContact CB-CB 3.84Å; C208-G217 VanDerWaalsContact CB-C 3.48Å; C208-G217 WeakPolarHBondContact CB-O 3.41Å; C208-L221 HydrophobicContact CB-CB 4.11Å; C208-L221 HydrophobicContact CB-CD2 4.43Å
209D91Very high85.9Confident29 Ų2942.9 Ų42.916%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-137.5135.1172.6-161.4-34.3000109.1S72 M192 Y193 D211S72-D209 PolarHBondContact OG-OD2 3.29Å; M192-D209 CarbonylContact C-O 3.45Å; M192-D209 VanDerWaalsContact CA-O 3.29Å; M192-D209 WeakPolarHBondContact CA-O 3.38Å; M192-D209 WeakPolarHBondContact CB-O 3.35Å; Y193-D209 HydrophobicContact CD1-CB 3.83Å; Y193-D209 HydrophobicContact CE1-CB 3.31Å; Y193-D209 HydrophobicContact CE2-CB 4.08Å; Y193-D209 HydrophobicContact CG-CB 4.41Å; Y193-D209 VanDerWaalsContact CZ-CB 3.44Å; Y193-D209 PolarHBondContact N-O 2.94Å; Y193-D209 PolarHBondContact O-N 2.76Å; D209-D211 PolarHBondContact OD1-N 2.92Å
210D88.8Confident86.5Confident28 Ų2842 Ų4215%0.1526%0.256CS..  trans-82.6-22.9179.4-75-16.7000112.1G212 E213 Q215 A216 G217D210-G212 PolarHBondContact O-N 3.38Å; D210-E213 WeakPolarHBondContact O-CB 3.42Å; D210-E213 PolarHBondContact O-N 3.16Å; D210-Q215 VanDerWaalsContact CG-N 3.34Å; D210-Q215 WeakPolarHBondContact OD2-CA 3.38Å; D210-Q215 PolarHBondContact OD2-N 3.49Å; D210-A216 PolarHBondContact OD1-N 3.18Å; D210-A216 VanDerWaalsContact OD1-N 3.09Å; D210-G217 VanDerWaalsContact OD1-CA 3.3Å; D210-G217 WeakPolarHBondContact OD1-CA 3.31Å; D210-G217 PolarHBondContact OD1-N 3.12Å
211D90.8Very high87.2Confident72 Ų7234.9 Ų34.939%0.38522%0.217SC..THydrogen-bonded Turntrans46.941.1-171.6-167.433.7000112.9H190 N191 D209 E213H190-D211 WeakPolarHBondContact CA-OD2 3.37Å; H190-D211 PolarHBondContact ND1-O 3.27Å; N191-D211 PolarHBondContact N-OD2 3.42Å; D209-D211 PolarHBondContact OD1-N 2.92Å; D211-E213 VanDerWaalsContact C-N 3.29Å; D211-E213 PolarHBondContact O-N 3.4Å
212G86.6Confident88.1Confident52 Ų5235.4 Ų35.454%0.53620%0.197SC..THydrogen-bonded Turntrans80.8-6.4-177.400000115.6D210 N214D210-G212 PolarHBondContact O-N 3.38Å; G212-N214 VanDerWaalsContact C-N 3.3Å; G212-N214 PolarHBondContact O-N 2.84Å; G212-N214 VanDerWaalsContact O-N 3.16Å
213E88Confident89Confident5 Ų533.9 Ų33.92%0.02318%0.179CC..SBendtrans-85.773.5168.2-173.879.5-130.100109.5H190 M192 D210 D211 Q215 A216 R238 R249 I253H190-E213 HydrophobicContact CB-CB 3.94Å; H190-E213 IonicContact CD2-OE2 3.91Å; H190-E213 PolarHBondContact CD2-OE2 3.26Å; H190-E213 IonicContact CG-OE2 2.85Å; H190-E213 PolarHBondContact ND1-N 3.28Å; H190-E213 IonicContact NE2-OE2 3.28Å; M192-E213 HydrophobicContact CE-CG 4.36Å; M192-E213 HydrophobicContact CG-CB 3.97Å; M192-E213 HydrophobicContact CG-CG 4.37Å; D210-E213 WeakPolarHBondContact O-CB 3.42Å; D210-E213 PolarHBondContact O-N 3.16Å; D211-E213 VanDerWaalsContact C-N 3.29Å; D211-E213 PolarHBondContact O-N 3.4Å; E213-Q215 PolarHBondContact O-N 2.81Å; E213-A216 HydrophobicContact CB-CB 3.89Å; E213-A216 HydrophobicContact CG-CB 3.53Å; E213-A216 WeakPolarHBondContact O-CB 3.42Å; E213-A216 PolarHBondContact O-N 2.97Å; E213-R238 IonicContact OE1-NH1 3.87Å; E213-R238 PolarHBondContact OE1-NH1 2.9Å; E213-R238 WeakPolarHBondContact OE2-CD 3.38Å; E213-R238 IonicContact OE2-CZ 2.74Å; E213-R238 IonicContact OE2-NE 3.26Å; E213-R238 IonicContact OE2-NH1 3.57Å; E213-R238 PolarHBondContact OE2-NH1 2.78Å; E213-R249 WeakPolarHBondContact OE1-CD 3.33Å; E213-R249 IonicContact OE1-CZ 3.63Å; E213-R249 IonicContact OE1-NE 3.03Å; E213-R249 PolarHBondContact OE1-NE 2.93Å; E213-R249 IonicContact OE1-NH2 3.31Å; E213-I253 HydrophobicContact CG-CD1 4.07Å
214N81.5Confident89.9Confident95 Ų9533 Ų3351%0.50817%0.174SC..THydrogen-bonded Turntrans-42.1127.2-172.1-63-11000113.2G212 A216 F250G212-N214 VanDerWaalsContact C-N 3.3Å; G212-N214 PolarHBondContact O-N 2.84Å; G212-N214 VanDerWaalsContact O-N 3.16Å; N214-A216 VanDerWaalsContact C-N 3.35Å; N214-F250 WeakPolarHBondContact O-CE1 3.44Å; N214-F250 VanDerWaalsContact O-CZ 3.26Å; N214-F250 WeakPolarHBondContact O-CZ 3.43Å
215Q83.8Confident90.2Very high74 Ų7434.9 Ų34.935%0.34619%0.187SC..THydrogen-bonded Turntrans725.1-176.5-48.2171.738.200116.8D210 E213 S218 R219 F250D210-Q215 VanDerWaalsContact CG-N 3.34Å; D210-Q215 WeakPolarHBondContact OD2-CA 3.38Å; D210-Q215 PolarHBondContact OD2-N 3.49Å; E213-Q215 PolarHBondContact O-N 2.81Å; Q215-S218 PolarHBondContact O-OG 3.45Å; Q215-S218 VanDerWaalsContact O-OG 3.07Å; Q215-R219 WeakPolarHBondContact O-CB 3.4Å; Q215-R219 WeakPolarHBondContact O-CD 3.47Å; Q215-R219 WeakPolarHBondContact O-CG 3.4Å; Q215-R219 PolarHBondContact O-N 2.74Å; Q215-R219 VanDerWaalsContact OE1-NH2 3.1Å; Q215-F250 HydrophobicContact CB-CE1 4.45Å
216A86.7Confident90.3Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-74.5-47-179.200000113.3M192 D210 E213 N214 S218 R219 L220 F250 I253M192-A216 HydrophobicContact CB-CB 3.94Å; M192-A216 HydrophobicContact CG-CB 3.57Å; M192-A216 HydrophobicContact SD-CB 3.92Å; D210-A216 PolarHBondContact OD1-N 3.18Å; D210-A216 VanDerWaalsContact OD1-N 3.09Å; E213-A216 HydrophobicContact CB-CB 3.89Å; E213-A216 HydrophobicContact CG-CB 3.53Å; E213-A216 WeakPolarHBondContact O-CB 3.42Å; E213-A216 PolarHBondContact O-N 2.97Å; N214-A216 VanDerWaalsContact C-N 3.35Å; A216-S218 PolarHBondContact O-N 3.37Å; A216-R219 PolarHBondContact O-N 3.42Å; A216-L220 WeakPolarHBondContact O-CG 3.25Å; A216-L220 PolarHBondContact O-N 2.97Å; A216-F250 HydrophobicContact CB-CE1 4.33Å; A216-I253 HydrophobicContact CB-CD1 4.01Å
217G89.1Confident90.3Very high0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-60.9-43.2177.300000111.7C208 D210 R219 L220 L221C208-G217 VanDerWaalsContact CB-C 3.48Å; C208-G217 WeakPolarHBondContact CB-O 3.41Å; D210-G217 VanDerWaalsContact OD1-CA 3.3Å; D210-G217 WeakPolarHBondContact OD1-CA 3.31Å; D210-G217 PolarHBondContact OD1-N 3.12Å; G217-R219 VanDerWaalsContact C-N 3.34Å; G217-R219 PolarHBondContact O-N 2.87Å; G217-L220 WeakPolarHBondContact O-CB 3.22Å; G217-L220 PolarHBondContact O-N 2.85Å; G217-L220 VanDerWaalsContact O-N 3.16Å; G217-L221 PolarHBondContact O-N 3.26Å
218S86.4Confident90.4Very high15 Ų1542 Ų4211%0.10523%0.229CC..Hα-helixtrans-61.9-40.2176.672.50000113.1Q215 A216 L221 H222Q215-S218 PolarHBondContact O-OG 3.45Å; Q215-S218 VanDerWaalsContact O-OG 3.07Å; A216-S218 PolarHBondContact O-N 3.37Å; S218-L221 PolarHBondContact O-N 3.08Å; S218-H222 WeakPolarHBondContact O-CB 3.32Å; S218-H222 PolarHBondContact O-N 3.29Å
219R91.5Very high90.5Very high87 Ų8742 Ų4233%0.32823%0.229SC..Hα-helixtrans-67.9-36.5174.5-72.4170.5-172.1-84.7-5.6112.2Q215 A216 G217 L223Q215-R219 WeakPolarHBondContact O-CB 3.4Å; Q215-R219 WeakPolarHBondContact O-CD 3.47Å; Q215-R219 WeakPolarHBondContact O-CG 3.4Å; Q215-R219 PolarHBondContact O-N 2.74Å; Q215-R219 VanDerWaalsContact OE1-NH2 3.1Å; A216-R219 PolarHBondContact O-N 3.42Å; G217-R219 VanDerWaalsContact C-N 3.34Å; G217-R219 PolarHBondContact O-N 2.87Å; R219-L223 WeakPolarHBondContact O-CB 3.42Å; R219-L223 PolarHBondContact O-N 2.83Å
220L95.8Very high90.7Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-64.7-45.5172.5-72.1174000110.8M192 A194 A216 G217 H222 L223 L224 V234 V236 I253 A257M192-L220 HydrophobicContact CB-CD1 4.3Å; M192-L220 HydrophobicContact SD-CD1 4.38Å; A194-L220 HydrophobicContact CB-CB 3.7Å; A216-L220 WeakPolarHBondContact O-CG 3.25Å; A216-L220 PolarHBondContact O-N 2.97Å; G217-L220 WeakPolarHBondContact O-CB 3.22Å; G217-L220 PolarHBondContact O-N 2.85Å; G217-L220 VanDerWaalsContact O-N 3.16Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 3.16Å; L220-L223 VanDerWaalsContact O-CB 3.31Å; L220-L223 WeakPolarHBondContact O-CB 3.42Å; L220-L223 PolarHBondContact O-N 2.9Å; L220-L223 VanDerWaalsContact O-N 3.12Å; L220-L224 WeakPolarHBondContact O-CG 3.07Å; L220-L224 PolarHBondContact O-N 2.56Å; L220-V234 HydrophobicContact CB-CG1 4.26Å; L220-V234 HydrophobicContact CD2-CG1 4.26Å; L220-V236 HydrophobicContact CD1-CB 4.34Å; L220-V236 HydrophobicContact CD1-CG2 4.04Å; L220-V236 HydrophobicContact CD2-CG2 3.95Å; L220-I253 HydrophobicContact CD1-CG2 4.26Å; L220-I253 HydrophobicContact CD2-CG2 3.78Å; L220-I253 HydrophobicContact CG-CG2 3.99Å; L220-A257 HydrophobicContact CD2-CB 3.5Å
221L94.7Very high91Very high8 Ų845.9 Ų45.94%0.04224%0.242CC..Hα-helixtrans-60.9-43.7176.9-17957.3000111.3A194 R196 Q206 C208 G217 S218 L223 L224 D225A194-L221 HydrophobicContact CB-CB 3.78Å; A194-L221 HydrophobicContact CB-CD1 4.49Å; A194-L221 VanDerWaalsContact CB-N 3.3Å; R196-L221 HydrophobicContact CG-CD1 3.68Å; Q206-L221 HydrophobicContact CB-CD1 3.97Å; Q206-L221 HydrophobicContact CG-CD1 4.41Å; C208-L221 HydrophobicContact CB-CB 4.11Å; C208-L221 HydrophobicContact CB-CD2 4.43Å; G217-L221 PolarHBondContact O-N 3.26Å; S218-L221 PolarHBondContact O-N 3.08Å; L221-L223 VanDerWaalsContact C-N 3.31Å; L221-L223 PolarHBondContact O-N 3.21Å; L221-L224 WeakPolarHBondContact O-CB 3.28Å; L221-L224 PolarHBondContact O-N 2.97Å; L221-D225 PolarHBondContact O-N 3Å
222H91.8Very high91.3Very high95 Ų9542.5 Ų42.544%0.4422%0.224SC..Hα-helixtrans-62-37.5174.7-174.857.8000112.6S218 L220 D225 L226S218-H222 WeakPolarHBondContact O-CB 3.32Å; S218-H222 PolarHBondContact O-N 3.29Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 3.16Å; H222-D225 PolarHBondContact O-N 3.07Å; H222-L226 VanDerWaalsContact NE2-CD1 3.28Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.48Å; H222-L226 WeakPolarHBondContact O-CB 3.5Å; H222-L226 WeakPolarHBondContact O-CG 3.26Å; H222-L226 PolarHBondContact O-N 2.9Å
223L93.3Very high91.9Very high11 Ų1140 Ų406%0.05820%0.199CC..Hα-helixtrans-61-46.4172.517167.1000111.5R219 L220 L221 D225 A227 A257 R258 L261R219-L223 WeakPolarHBondContact O-CB 3.42Å; R219-L223 PolarHBondContact O-N 2.83Å; L220-L223 VanDerWaalsContact O-CB 3.31Å; L220-L223 WeakPolarHBondContact O-CB 3.42Å; L220-L223 PolarHBondContact O-N 2.9Å; L220-L223 VanDerWaalsContact O-N 3.12Å; L221-L223 VanDerWaalsContact C-N 3.31Å; L221-L223 PolarHBondContact O-N 3.21Å; L223-D225 VanDerWaalsContact C-N 3.28Å; L223-D225 PolarHBondContact O-N 3.41Å; L223-A227 VanDerWaalsContact O-CB 3.27Å; L223-A227 WeakPolarHBondContact O-CB 3.48Å; L223-A227 PolarHBondContact O-N 3.45Å; L223-A227 VanDerWaalsContact O-N 3.07Å; L223-A257 HydrophobicContact CD2-CB 3.72Å; L223-R258 HydrophobicContact CD1-CB 4.39Å; L223-R258 VanDerWaalsContact CD1-NH2 3.34Å; L223-R258 HydrophobicContact CD2-CB 4.27Å; L223-L261 HydrophobicContact CD2-CD1 4.42Å
224L95.7Very high92.4Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-60.5-40.7177.8-63.1-178.1000111.3A194 R196 L220 L221 D228 V229 V234 L261A194-L224 HydrophobicContact CB-CD1 3.94Å; R196-L224 HydrophobicContact CG-CB 3.99Å; R196-L224 HydrophobicContact CG-CD1 4.08Å; R196-L224 PolarHBondContact NH1-O 3.35Å; L220-L224 WeakPolarHBondContact O-CG 3.07Å; L220-L224 PolarHBondContact O-N 2.56Å; L221-L224 WeakPolarHBondContact O-CB 3.28Å; L221-L224 PolarHBondContact O-N 2.97Å; L224-D228 PolarHBondContact O-N 3.44Å; L224-V229 HydrophobicContact CB-CB 4.18Å; L224-V229 HydrophobicContact CD2-CB 3.9Å; L224-V229 HydrophobicContact CD2-CG1 3.83Å; L224-V229 HydrophobicContact CD2-CG2 4.08Å; L224-V229 PolarHBondContact O-N 3.45Å; L224-V234 HydrophobicContact CD1-CG1 4.19Å; L224-V234 HydrophobicContact CD2-CG1 4.01Å; L224-V234 HydrophobicContact CG-CG1 4.26Å; L224-L261 HydrophobicContact CD2-CD1 3.57Å; L224-L261 HydrophobicContact CD2-CD2 4.14Å
225D92.6Very high93.2Very high80 Ų8035.3 Ų35.343%0.42817%0.173SC..Hα-helixtrans-65.6-53.4177.8-172.642.4000112.6R196 L221 H222 L223 A227 D228R196-D225 IonicContact CZ-OD1 2.55Å; R196-D225 VanDerWaalsContact CZ-OD1 3.31Å; R196-D225 IonicContact NH1-OD1 3.75Å; R196-D225 IonicContact NH2-OD1 2.79Å; R196-D225 PolarHBondContact NH2-OD1 3.46Å; L221-D225 PolarHBondContact O-N 3Å; H222-D225 PolarHBondContact O-N 3.07Å; L223-D225 VanDerWaalsContact C-N 3.28Å; L223-D225 PolarHBondContact O-N 3.41Å; D225-A227 PolarHBondContact O-N 3.34Å; D225-A227 VanDerWaalsContact O-N 3.16Å; D225-D228 PolarHBondContact O-N 3.27Å
226L91.2Very high93.9Very high121 Ų12131.8 Ų31.863%0.63416%0.157SC*.Hα-helixtrans-60.5-28.6179.1-75.3-176.4000113.8H222H222-L226 VanDerWaalsContact NE2-CD1 3.28Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.48Å; H222-L226 WeakPolarHBondContact O-CB 3.5Å; H222-L226 WeakPolarHBondContact O-CG 3.26Å; H222-L226 PolarHBondContact O-N 2.9Å
227A93.2Very high94.4Very high29 Ų2931.8 Ų31.824%0.2416%0.157CC..THydrogen-bonded Turntrans-91.83.6179.400000113.5L223 D225 V229 I267L223-A227 VanDerWaalsContact O-CB 3.27Å; L223-A227 WeakPolarHBondContact O-CB 3.48Å; L223-A227 PolarHBondContact O-N 3.45Å; L223-A227 VanDerWaalsContact O-N 3.07Å; D225-A227 PolarHBondContact O-N 3.34Å; D225-A227 VanDerWaalsContact O-N 3.16Å; A227-V229 HydrophobicContact CB-CG2 3.94Å; A227-V229 PolarHBondContact O-N 3.25Å; A227-I267 HydrophobicContact CB-CD1 3.75Å; A227-I267 HydrophobicContact CB-CG1 3.88Å; A227-I267 HydrophobicContact CB-CG2 4.4Å
228D93.4Very high94.8Very high80 Ų8032.3 Ų32.343%0.42816%0.159SC..THydrogen-bonded Turntrans48.841.4-174.1-170.631.3000112L224 D225 R230L224-D228 PolarHBondContact O-N 3.44Å; D225-D228 PolarHBondContact O-N 3.27Å; D228-R230 WeakPolarHBondContact O-CG 3.34Å; D228-R230 IonicContact OD1-CZ 2.86Å; D228-R230 IonicContact OD1-NE 3.76Å; D228-R230 PolarHBondContact OD1-NE 3.14Å; D228-R230 VanDerWaalsContact OD1-NE 3.08Å; D228-R230 IonicContact OD1-NH2 3.8Å; D228-R230 PolarHBondContact OD1-NH2 3.43Å; D228-R230 IonicContact OD2-CZ 2.63Å; D228-R230 IonicContact OD2-NE 2.99Å; D228-R230 IonicContact OD2-NH2 2.91Å; D228-R230 PolarHBondContact OD2-NH2 3.45Å
229V95.2Very high95.3Very high0 Ų033.9 Ų33.90%016%0.163CC..  trans-73.3131.6175.3175.20000108.7R196 L224 A227 A232 L261 F266 I267R196-V229 PolarHBondContact NH1-O 3.41Å; L224-V229 HydrophobicContact CB-CB 4.18Å; L224-V229 HydrophobicContact CD2-CB 3.9Å; L224-V229 HydrophobicContact CD2-CG1 3.83Å; L224-V229 HydrophobicContact CD2-CG2 4.08Å; L224-V229 PolarHBondContact O-N 3.45Å; A227-V229 HydrophobicContact CB-CG2 3.94Å; A227-V229 PolarHBondContact O-N 3.25Å; V229-A232 HydrophobicContact CG1-CB 3.56Å; V229-L261 HydrophobicContact CG1-CD2 4.28Å; V229-L261 HydrophobicContact CG2-CD1 4.46Å; V229-F266 HydrophobicContact CG1-CB 4.07Å; V229-F266 HydrophobicContact CG2-CB 4.45Å; V229-I267 HydrophobicContact CG2-CD1 4.24Å; V229-I267 HydrophobicContact CG2-CG1 3.6Å
230R94.6Very high95.3Very high100 Ų10034.3 Ų34.338%0.37717%0.165SC..  trans-126.1142.1-176.3-41.7-162.9170.3-161.8-3.6110.9E198 W204 D228 A232E198-R230 IonicContact OE1-CZ 3.62Å; E198-R230 IonicContact OE1-NH1 2.67Å; E198-R230 PolarHBondContact OE1-NH1 3.49Å; E198-R230 WeakPolarHBondContact OE2-CD 3.42Å; E198-R230 IonicContact OE2-NH1 3.72Å; E198-R230 PolarHBondContact OE2-NH1 2.91Å; W204-R230 HydrophobicContact CH2-CB 4Å; W204-R230 HydrophobicContact CH2-CG 3.7Å; W204-R230 HydrophobicContact CZ3-CB 4.23Å; W204-R230 HydrophobicContact CZ3-CG 4.38Å; D228-R230 WeakPolarHBondContact O-CG 3.34Å; D228-R230 IonicContact OD1-CZ 2.86Å; D228-R230 IonicContact OD1-NE 3.76Å; D228-R230 PolarHBondContact OD1-NE 3.14Å; D228-R230 VanDerWaalsContact OD1-NE 3.08Å; D228-R230 IonicContact OD1-NH2 3.8Å; D228-R230 PolarHBondContact OD1-NH2 3.43Å; D228-R230 IonicContact OD2-CZ 2.63Å; D228-R230 IonicContact OD2-NE 2.99Å; D228-R230 IonicContact OD2-NH2 2.91Å; D228-R230 PolarHBondContact OD2-NH2 3.45Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 3.31Å
231N95.7Very high95.1Very high40 Ų4035.3 Ų35.321%0.21418%0.175CC..SBendtrans54.146.6174.1-58.6-39.7000112.3E165 V166 R196 E198E165-N231 CarbonylContact C-O 3.6Å; E165-N231 VanDerWaalsContact CA-O 3.3Å; E165-N231 WeakPolarHBondContact CA-O 3.32Å; E165-N231 WeakPolarHBondContact CG-O 3.49Å; V166-N231 PolarHBondContact N-O 3.15Å; V166-N231 CarbonylContact O-C 3.49Å; V166-N231 WeakPolarHBondContact O-CA 3.23Å; V166-N231 VanDerWaalsContact O-CB 3.24Å; V166-N231 WeakPolarHBondContact O-CB 3.44Å; R196-N231 CarbonylContact O-C 3.56Å; R196-N231 VanDerWaalsContact O-CA 3.22Å; R196-N231 WeakPolarHBondContact O-CA 3.08Å; R196-N231 PolarHBondContact O-N 3.34Å; E198-N231 PolarHBondContact N-OD1 3.32Å
232A97.5Very high94.9Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-142.9149.3-176.100000112.2A164 V166 Y195 R196 V229 R230 F266A164-A232 WeakPolarHBondContact O-CA 3.04Å; V166-A232 VanDerWaalsContact CG2-C 3.41Å; Y195-A232 CarbonylContact C-O 3.54Å; Y195-A232 WeakPolarHBondContact CA-O 3.33Å; Y195-A232 WeakPolarHBondContact CB-O 3.5Å; R196-A232 PolarHBondContact N-O 2.79Å; R196-A232 PolarHBondContact O-N 2.94Å; V229-A232 HydrophobicContact CG1-CB 3.56Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 3.31Å; A232-F266 HydrophobicContact CB-CD1 3.49Å; A232-F266 VanDerWaalsContact CB-CD1 3.49Å; A232-F266 HydrophobicContact CB-CE1 3.49Å; A232-F266 VanDerWaalsContact CB-CE1 3.49Å; A232-F266 HydrophobicContact CB-CG 4.08Å; A232-F266 HydrophobicContact CB-CZ 4.09Å
233I98.1Very high94.8Very high1 Ų136.4 Ų36.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-114143.2165.5179.3160.2000108.9V163 A164 V166 V172 V175 L176 Y193 A194 Y195 V235V163-I233 VanDerWaalsContact CA-O 3.28Å; V163-I233 WeakPolarHBondContact CA-O 3.45Å; A164-I233 HydrophobicContact CB-CG2 3.96Å; A164-I233 PolarHBondContact N-O 2.84Å; A164-I233 PolarHBondContact O-N 3.27Å; V166-I233 HydrophobicContact CG1-CB 4.25Å; V166-I233 HydrophobicContact CG1-CG2 3.62Å; V166-I233 HydrophobicContact CG2-CB 4.22Å; V166-I233 HydrophobicContact CG2-CG2 4.35Å; V172-I233 HydrophobicContact CG1-CD1 3.76Å; V172-I233 HydrophobicContact CG2-CD1 4.47Å; V175-I233 HydrophobicContact CB-CG2 4.18Å; V175-I233 HydrophobicContact CG1-CG2 3.82Å; V175-I233 HydrophobicContact CG2-CG2 3.86Å; L176-I233 HydrophobicContact CD2-CD1 4.32Å; L176-I233 HydrophobicContact CG-CD1 4.43Å; Y193-I233 HydrophobicContact CD2-CD1 4.26Å; A194-I233 WeakPolarHBondContact O-CA 3.45Å; Y195-I233 HydrophobicContact CD1-CD1 4.44Å; I233-V235 HydrophobicContact CD1-CG2 4.11Å; I233-V235 HydrophobicContact CG1-CG2 4.07Å
234V98.2Very high94.6Very high0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-119.8131.416463.10000109H162 V163 Y193 A194 L220 L224 V236 A257H162-V234 CarbonylContact O-C 3.53Å; H162-V234 WeakPolarHBondContact O-CA 3.45Å; V163-V234 HydrophobicContact CG1-CB 4.13Å; V163-V234 HydrophobicContact CG1-CG2 3.89Å; Y193-V234 CarbonylContact C-O 3.52Å; Y193-V234 WeakPolarHBondContact CA-O 3.31Å; Y193-V234 VanDerWaalsContact CB-O 3.28Å; Y193-V234 WeakPolarHBondContact CB-O 3.49Å; A194-V234 HydrophobicContact CB-CG1 4.45Å; A194-V234 PolarHBondContact N-O 2.89Å; A194-V234 PolarHBondContact O-N 2.78Å; L220-V234 HydrophobicContact CB-CG1 4.26Å; L220-V234 HydrophobicContact CD2-CG1 4.26Å; L224-V234 HydrophobicContact CD1-CG1 4.19Å; L224-V234 HydrophobicContact CD2-CG1 4.01Å; L224-V234 HydrophobicContact CG-CG1 4.26Å; V234-V236 HydrophobicContact CG2-CG2 4.14Å; V234-A257 HydrophobicContact CG2-CB 3.84Å
235V98.2Very high94.3Very high0 Ų043.3 Ų43.30%023%0.229CC..EExtended strand (participates in β ladder)trans-117.8128.6170.3-173.60000107.1A161 H162 L176 L179 N191 M192 I233A161-V235 CarbonylContact C-O 3.57Å; A161-V235 WeakPolarHBondContact CA-O 3.21Å; H162-V235 HydrophobicContact CB-CB 4.33Å; H162-V235 PolarHBondContact N-O 3.29Å; H162-V235 PolarHBondContact O-N 3.11Å; L176-V235 HydrophobicContact CD2-CG2 3.86Å; L179-V235 HydrophobicContact CD1-CB 3.92Å; L179-V235 HydrophobicContact CD1-CG1 4.32Å; L179-V235 HydrophobicContact CD1-CG2 3.64Å; N191-V235 HydrophobicContact CB-CG1 4.43Å; M192-V235 CarbonylContact O-C 3.54Å; M192-V235 WeakPolarHBondContact O-CA 3.32Å; I233-V235 HydrophobicContact CD1-CG2 4.11Å; I233-V235 HydrophobicContact CG1-CG2 4.07Å
236V98.4Very high94.2Very high0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-114.5112.9174.5179.40000109Q160 A161 M192 L220 V234 I253 V256 A257Q160-V236 CarbonylContact O-C 3.55Å; Q160-V236 WeakPolarHBondContact O-CA 3.11Å; A161-V236 HydrophobicContact CB-CG2 4.18Å; M192-V236 HydrophobicContact CE-CB 4.32Å; M192-V236 HydrophobicContact CE-CG1 3.97Å; M192-V236 WeakPolarHBondContact CE-O 3.29Å; M192-V236 PolarHBondContact N-O 2.64Å; M192-V236 VanDerWaalsContact N-O 3.16Å; M192-V236 PolarHBondContact O-N 2.96Å; M192-V236 HydrophobicContact SD-CB 3.59Å; M192-V236 VanDerWaalsContact SD-CB 3.59Å; M192-V236 HydrophobicContact SD-CG1 3.84Å; L220-V236 HydrophobicContact CD1-CB 4.34Å; L220-V236 HydrophobicContact CD1-CG2 4.04Å; L220-V236 HydrophobicContact CD2-CG2 3.95Å; V234-V236 HydrophobicContact CG2-CG2 4.14Å; V236-I253 HydrophobicContact CB-CG2 4.36Å; V236-I253 HydrophobicContact CG1-CG1 4.34Å; V236-I253 HydrophobicContact CG1-CG2 4.24Å; V236-I253 HydrophobicContact CG2-CG2 4.36Å; V236-V256 HydrophobicContact CG1-CG2 3.81Å; V236-V256 HydrophobicContact CG2-CG2 4.28Å; V236-A257 HydrophobicContact CG2-CB 4.03Å
237S97.8Very high94Very high0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-85.6126.4172.9-60.30000109.7F159 Q160 I185 H190 N191 W239F159-S237 CarbonylContact C-O 3.21Å; F159-S237 WeakPolarHBondContact CA-O 3.35Å; Q160-S237 PolarHBondContact N-O 3.35Å; Q160-S237 PolarHBondContact O-N 2.99Å; I185-S237 WeakPolarHBondContact CG2-OG 3.33Å; H190-S237 CarbonylContact O-C 3.53Å; H190-S237 WeakPolarHBondContact O-CA 3.31Å; N191-S237 WeakPolarHBondContact OD1-CB 3.42Å; N191-S237 PolarHBondContact OD1-OG 3.05Å; S237-W239 VanDerWaalsContact CB-CH2 3.46Å
238R97.3Very high93.9Very high12 Ų1239.9 Ų39.95%0.04523%0.225CC..EExtended strand (participates in β ladder)trans-114.4127.2172.4-176.4-173.7-176.9-153.6-8.5110.2T158 F159 T189 H190 M192 E213T158-R238 CarbonylContact O-C 3.5Å; T158-R238 VanDerWaalsContact O-CA 3.29Å; T158-R238 WeakPolarHBondContact O-CA 3.24Å; F159-R238 HydrophobicContact CD1-CB 4.1Å; F159-R238 HydrophobicContact CD1-CG 3.85Å; F159-R238 HydrophobicContact CE1-CB 4.23Å; F159-R238 VanDerWaalsContact CE1-CD 3.45Å; F159-R238 HydrophobicContact CE1-CG 3.57Å; F159-R238 HydrophobicContact CZ-CG 4.1Å; T189-R238 WeakPolarHBondContact CA-O 3.47Å; T189-R238 VanDerWaalsContact CB-O 3.32Å; T189-R238 WeakPolarHBondContact CB-O 3.28Å; T189-R238 PolarHBondContact N-O 3.16Å; H190-R238 PolarHBondContact N-O 2.86Å; H190-R238 VanDerWaalsContact N-O 3.13Å; H190-R238 PolarHBondContact O-N 2.75Å; M192-R238 HydrophobicContact CE-CB 3.48Å; M192-R238 VanDerWaalsContact CE-CB 3.48Å; E213-R238 IonicContact OE1-NH1 3.87Å; E213-R238 PolarHBondContact OE1-NH1 2.9Å; E213-R238 WeakPolarHBondContact OE2-CD 3.38Å; E213-R238 IonicContact OE2-CZ 2.74Å; E213-R238 IonicContact OE2-NE 3.26Å; E213-R238 IonicContact OE2-NH1 3.57Å; E213-R238 PolarHBondContact OE2-NH1 2.78Å
239W96.6Very high93.9Very high47 Ų4739.1 Ų39.118%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-104116.6166.5-61.4-92.9000108.7S157 T158 Q160 K184 A188 S237S157-W239 CarbonylContact C-O 3.56Å; S157-W239 VanDerWaalsContact CA-O 3.23Å; S157-W239 WeakPolarHBondContact CA-O 3.31Å; T158-W239 HydrophobicContact CG2-CE3 4.05Å; T158-W239 HydrophobicContact CG2-CZ3 4.41Å; T158-W239 PolarHBondContact N-O 3.47Å; T158-W239 PolarHBondContact O-N 3.06Å; Q160-W239 HydrophobicContact CB-CH2 4.16Å; Q160-W239 HydrophobicContact CB-CZ3 3.79Å; K184-W239 HydrophobicContact CG-CZ2 4.12Å; K184-W239 WeakPolarHBondContact O-CZ2 3.41Å; K184-W239 PolarHBondContact O-NE1 2.93Å; A188-W239 HydrophobicContact CB-CD2 4.2Å; A188-W239 HydrophobicContact CB-CG 4.43Å; A188-W239 HydrophobicContact CB-CZ2 4.04Å; S237-W239 VanDerWaalsContact CB-CH2 3.46Å
240Y92.9Very high93.7Very high97 Ų9740.1 Ų40.138%0.3822%0.221SC..  trans-72.1131.2-179.5178.9-119.2000111.7T189 G242 I243 Q244T189-Y240 WeakPolarHBondContact OG1-CB 3.33Å; T189-Y240 PolarHBondContact OG1-N 3.22Å; Y240-G242 VanDerWaalsContact CZ-C 3.47Å; Y240-G242 PolarHBondContact OH-O 3.43Å; Y240-I243 WeakPolarHBondContact CE2-O 3.41Å; Y240-I243 PolarHBondContact OH-N 3.35Å; Y240-Q244 PolarHBondContact OH-N 2.84Å
241G91.3Very high93.6Very high21 Ų2141.6 Ų41.622%0.21623%0.23CC..  trans-93.13.5-175.600000116.6K156 S157K156-G241 VanDerWaalsContact C-CA 3.42Å; K156-G241 WeakPolarHBondContact CB-O 3.3Å; K156-G241 WeakPolarHBondContact CD-O 3.27Å; K156-G241 WeakPolarHBondContact O-CA 3.35Å; S157-G241 PolarHBondContact OG-N 3.09Å
242G90.6Very high93.6Very high54 Ų5441.1 Ų41.156%0.55723%0.226SC*.SBendtrans85.55.1-173.700000115.2Y240Y240-G242 VanDerWaalsContact CZ-C 3.47Å; Y240-G242 PolarHBondContact OH-O 3.43Å
243I89.6Confident93.6Very high72 Ų7241.1 Ų41.137%0.36923%0.226SC..SBendtrans-123.5125.4176.6-57.3174.6000108.5R155 Y240 L245R155-I243 HydrophobicContact CB-CB 4.15Å; R155-I243 HydrophobicContact CB-CD1 4.1Å; R155-I243 HydrophobicContact CB-CG2 4.06Å; R155-I243 HydrophobicContact CG-CG2 4.44Å; Y240-I243 WeakPolarHBondContact CE2-O 3.41Å; Y240-I243 PolarHBondContact OH-N 3.35Å; I243-L245 WeakPolarHBondContact O-CD1 3.46Å; I243-L245 PolarHBondContact O-N 3.21Å
244Q88.5Confident93.5Very high148 Ų14842.6 Ų42.669%0.69223%0.234SC*.  trans-69.9125.5176.2-66.7-178-800110.7Y240Y240-Q244 PolarHBondContact OH-N 2.84Å
245L89.4Confident93.4Very high7 Ų745.7 Ų45.74%0.03725%0.251CS..  trans-90.4-11-179.2-86.161.5000112.8R155 S157 F159 I243 A247 D248 R249R155-L245 HydrophobicContact CB-CD1 4.04Å; S157-L245 WeakPolarHBondContact OG-CD1 3.43Å; F159-L245 HydrophobicContact CE2-CD2 3.81Å; F159-L245 HydrophobicContact CZ-CD2 3.69Å; I243-L245 WeakPolarHBondContact O-CD1 3.46Å; I243-L245 PolarHBondContact O-N 3.21Å; L245-A247 PolarHBondContact O-N 3.07Å; L245-D248 PolarHBondContact O-N 2.94Å; L245-R249 HydrophobicContact CB-CB 3.97Å; L245-R249 HydrophobicContact CD2-CB 4.24Å
246G89.9Confident93.4Very high36 Ų3646.1 Ų46.137%0.37125%0.254SS..THydrogen-bonded Turntrans57.6-134.8-172.800000111.1D248 R249G246-D248 VanDerWaalsContact C-N 3.28Å; G246-D248 PolarHBondContact O-N 3.05Å; G246-R249 WeakPolarHBondContact O-CD 3.46Å; G246-R249 VanDerWaalsContact O-CG 3.23Å; G246-R249 WeakPolarHBondContact O-CG 3.38Å; G246-R249 PolarHBondContact O-NH1 3.49Å
247A87.4Confident93.4Very high71 Ų7146.1 Ų46.159%0.58725%0.254SS*.THydrogen-bonded Turntrans-69.5-19.9-179.700000114.3L245 R249 F250L245-A247 PolarHBondContact O-N 3.07Å; A247-R249 PolarHBondContact O-N 3.32Å; A247-F250 PolarHBondContact O-N 2.98Å
248D90.4Very high93.3Very high51 Ų5150.3 Ų50.327%0.27327%0.269SS..Hα-helixtrans-64.4-28.1-177.1-70.8-27.9000112.6R155 L245 G246 F250 K251 H252R155-D248 IonicContact CZ-OD2 3.66Å; R155-D248 IonicContact NH1-OD2 3.59Å; R155-D248 IonicContact NH2-OD2 3.08Å; R155-D248 PolarHBondContact NH2-OD2 3.01Å; L245-D248 PolarHBondContact O-N 2.94Å; G246-D248 VanDerWaalsContact C-N 3.28Å; G246-D248 PolarHBondContact O-N 3.05Å; D248-F250 PolarHBondContact O-N 2.88Å; D248-K251 WeakPolarHBondContact O-CB 3.36Å; D248-K251 PolarHBondContact O-N 3.1Å; D248-K251 IonicContact OD1-NZ 2.79Å; D248-K251 PolarHBondContact OD1-NZ 3.36Å; D248-H252 PolarHBondContact O-CD2 3.29Å; D248-H252 PolarHBondContact O-N 2.96Å; D248-H252 VanDerWaalsContact O-N 3.12Å
249R93.3Very high93.3Very high64 Ų6454.2 Ų54.224%0.24229%0.291CS..Hα-helixtrans-55.7-40.5176.572.3-159.8-169-124.413.5112.2F159 E213 L245 G246 A247 K251 H252 I253F159-R249 HydrophobicContact CE1-CB 4.3Å; F159-R249 HydrophobicContact CZ-CB 4.08Å; E213-R249 WeakPolarHBondContact OE1-CD 3.33Å; E213-R249 IonicContact OE1-CZ 3.63Å; E213-R249 IonicContact OE1-NE 3.03Å; E213-R249 PolarHBondContact OE1-NE 2.93Å; E213-R249 IonicContact OE1-NH2 3.31Å; L245-R249 HydrophobicContact CB-CB 3.97Å; L245-R249 HydrophobicContact CD2-CB 4.24Å; G246-R249 WeakPolarHBondContact O-CD 3.46Å; G246-R249 VanDerWaalsContact O-CG 3.23Å; G246-R249 WeakPolarHBondContact O-CG 3.38Å; G246-R249 PolarHBondContact O-NH1 3.49Å; A247-R249 PolarHBondContact O-N 3.32Å; R249-K251 VanDerWaalsContact C-N 3.32Å; R249-K251 PolarHBondContact O-N 3.26Å; R249-H252 PolarHBondContact O-N 3.49Å; R249-I253 VanDerWaalsContact O-CG1 3.24Å; R249-I253 WeakPolarHBondContact O-CG1 3.17Å; R249-I253 PolarHBondContact O-N 3.49Å
250F91.3Very high93.4Very high21 Ų2152.8 Ų52.89%0.09229%0.286CS..Hα-helixtrans-68.9-31.9179.3-60-64.1000112.2N214 Q215 A216 A247 D248 H252 I253 N254N214-F250 WeakPolarHBondContact O-CE1 3.44Å; N214-F250 VanDerWaalsContact O-CZ 3.26Å; N214-F250 WeakPolarHBondContact O-CZ 3.43Å; Q215-F250 HydrophobicContact CB-CE1 4.45Å; A216-F250 HydrophobicContact CB-CE1 4.33Å; A247-F250 PolarHBondContact O-N 2.98Å; D248-F250 PolarHBondContact O-N 2.88Å; F250-H252 VanDerWaalsContact C-N 3.34Å; F250-I253 HydrophobicContact CD1-CD1 4.29Å; F250-N254 WeakPolarHBondContact O-CB 3.45Å; F250-N254 PolarHBondContact O-N 3.42Å
251K93.4Very high93.6Very high131 Ų13148.1 Ų48.157%0.5727%0.268SS*.Hα-helixtrans-63.4-44.3172.6-59.7176.1-173.2157.10110.1D248 R249 N255D248-K251 WeakPolarHBondContact O-CB 3.36Å; D248-K251 PolarHBondContact O-N 3.1Å; D248-K251 IonicContact OD1-NZ 2.79Å; D248-K251 PolarHBondContact OD1-NZ 3.36Å; R249-K251 VanDerWaalsContact C-N 3.32Å; R249-K251 PolarHBondContact O-N 3.26Å; K251-N255 WeakPolarHBondContact O-CB 3.47Å; K251-N255 PolarHBondContact O-N 3.34Å
252H96.5Very high93.9Very high30 Ų3051.6 Ų51.614%0.13928%0.278CS..Hα-helixtrans-66.4-46.4179.6-58.9-32.6000111.8F152 D154 F159 D248 R249 F250 N254 N255 V256F152-H252 HydrophobicContact CD1-CB 4.15Å; F152-H252 HydrophobicContact CE1-CB 4.17Å; F152-H252 AromaticContact CE1-CD2 3.82Å; F152-H252 AromaticContact CE1-CE1 3.5Å; F152-H252 AromaticContact CE1-CG 3.54Å; F152-H252 AromaticContact CE1-ND1 3.34Å; F152-H252 VanDerWaalsContact CE1-ND1 3.34Å; F152-H252 WeakPolarHBondContact CE1-ND1 3.12Å; F152-H252 AromaticContact CE1-NE2 3.8Å; F152-H252 AromaticContact CZ-CE1 3.87Å; F152-H252 AromaticContact CZ-ND1 3.94Å; D154-H252 WeakPolarHBondContact CB-NE2 3.3Å; D154-H252 IonicContact OD2-CD2 3.8Å; D154-H252 IonicContact OD2-CE1 3.82Å; D154-H252 IonicContact OD2-NE2 2.84Å; D154-H252 PolarHBondContact OD2-NE2 2.94Å; F159-H252 HydrophobicContact CD1-CB 4.3Å; F159-H252 HydrophobicContact CD2-CB 3.91Å; F159-H252 HydrophobicContact CE1-CB 4.26Å; F159-H252 HydrophobicContact CE2-CB 3.9Å; F159-H252 AromaticContact CE2-CD2 3.82Å; F159-H252 HydrophobicContact CG-CB 4.12Å; F159-H252 HydrophobicContact CZ-CB 4.07Å; D248-H252 PolarHBondContact O-CD2 3.29Å; D248-H252 PolarHBondContact O-N 2.96Å; D248-H252 VanDerWaalsContact O-N 3.12Å; R249-H252 PolarHBondContact O-N 3.49Å; F250-H252 VanDerWaalsContact C-N 3.34Å; H252-N254 PolarHBondContact O-N 2.9Å; H252-N255 PolarHBondContact O-N 3.22Å; H252-N255 VanDerWaalsContact O-N 3.14Å; H252-V256 WeakPolarHBondContact O-CG2 3.15Å; H252-V256 PolarHBondContact O-N 3.29Å
253I96.2Very high94.2Very high0 Ų052.5 Ų52.50%028%0.281CS..Hα-helixtrans-53.3-54.9175.5-69.4164000110.6F159 M192 E213 A216 L220 V236 R249 F250 N255 V256 A257F159-I253 HydrophobicContact CD1-CG1 3.73Å; F159-I253 HydrophobicContact CE1-CD1 4.26Å; F159-I253 HydrophobicContact CE1-CG1 3.74Å; M192-I253 HydrophobicContact CE-CD1 3.61Å; M192-I253 HydrophobicContact CE-CG1 3.74Å; M192-I253 HydrophobicContact SD-CD1 3.87Å; M192-I253 HydrophobicContact SD-CG1 3.96Å; M192-I253 HydrophobicContact SD-CG2 3.8Å; E213-I253 HydrophobicContact CG-CD1 4.07Å; A216-I253 HydrophobicContact CB-CD1 4.01Å; L220-I253 HydrophobicContact CD1-CG2 4.26Å; L220-I253 HydrophobicContact CD2-CG2 3.78Å; L220-I253 HydrophobicContact CG-CG2 3.99Å; V236-I253 HydrophobicContact CB-CG2 4.36Å; V236-I253 HydrophobicContact CG1-CG1 4.34Å; V236-I253 HydrophobicContact CG1-CG2 4.24Å; V236-I253 HydrophobicContact CG2-CG2 4.36Å; R249-I253 VanDerWaalsContact O-CG1 3.24Å; R249-I253 WeakPolarHBondContact O-CG1 3.17Å; R249-I253 PolarHBondContact O-N 3.49Å; F250-I253 HydrophobicContact CD1-CD1 4.29Å; I253-N255 VanDerWaalsContact C-N 3.29Å; I253-N255 PolarHBondContact O-N 3.39Å; I253-V256 VanDerWaalsContact O-CG2 3.31Å; I253-V256 WeakPolarHBondContact O-CG2 3.48Å; I253-A257 WeakPolarHBondContact O-CB 3Å; I253-A257 PolarHBondContact O-N 3.04Å; I253-A257 VanDerWaalsContact O-N 3.09Å
254N95.5Very high94.5Very high33 Ų3353.5 Ų53.518%0.17628%0.283CS..Hα-helixtrans-65.3-32.7179.6-77.5-14.5000112.8F250 H252 R258F250-N254 WeakPolarHBondContact O-CB 3.45Å; F250-N254 PolarHBondContact O-N 3.42Å; H252-N254 PolarHBondContact O-N 2.9Å; N254-R258 VanDerWaalsContact O-CB 3.3Å; N254-R258 WeakPolarHBondContact O-CB 3.23Å; N254-R258 PolarHBondContact O-N 2.67Å; N254-R258 PolarHBondContact O-NH1 3.38Å
255N96.8Very high94.8Very high65 Ų6549.1 Ų49.135%0.34828%0.278SS..Hα-helixtrans-69.8-50.1179.5-173.662.9000111.7K251 H252 I253 A257 R258 L259K251-N255 WeakPolarHBondContact O-CB 3.47Å; K251-N255 PolarHBondContact O-N 3.34Å; H252-N255 PolarHBondContact O-N 3.22Å; H252-N255 VanDerWaalsContact O-N 3.14Å; I253-N255 VanDerWaalsContact C-N 3.29Å; I253-N255 PolarHBondContact O-N 3.39Å; N255-A257 VanDerWaalsContact C-N 3.31Å; N255-A257 PolarHBondContact O-N 2.83Å; N255-R258 PolarHBondContact O-N 3.25Å; N255-L259 WeakPolarHBondContact O-CB 3.31Å; N255-L259 VanDerWaalsContact O-CG 3.31Å; N255-L259 WeakPolarHBondContact O-CG 3.35Å; N255-L259 PolarHBondContact O-N 3.27Å
256V98.3Very high95.1Very high9 Ų950.9 Ų50.96%0.05529%0.286CS..Hα-helixtrans-63.6-39178.7-61.80000111.4F152 F159 A161 V236 H252 I253 Q260F152-V256 HydrophobicContact CB-CG1 3.66Å; F152-V256 HydrophobicContact CG-CG1 4.5Å; F159-V256 HydrophobicContact CB-CG1 4.18Å; F159-V256 HydrophobicContact CB-CG2 4.14Å; A161-V256 HydrophobicContact CB-CB 4.15Å; A161-V256 HydrophobicContact CB-CG2 4.07Å; A161-V256 WeakPolarHBondContact CB-O 3.15Å; V236-V256 HydrophobicContact CG1-CG2 3.81Å; V236-V256 HydrophobicContact CG2-CG2 4.28Å; H252-V256 WeakPolarHBondContact O-CG2 3.15Å; H252-V256 PolarHBondContact O-N 3.29Å; I253-V256 VanDerWaalsContact O-CG2 3.31Å; I253-V256 WeakPolarHBondContact O-CG2 3.48Å; V256-Q260 WeakPolarHBondContact O-CB 3.16Å; V256-Q260 PolarHBondContact O-N 3.4Å; V256-Q260 VanDerWaalsContact O-N 3.1Å
257A98.1Very high95.2Very high0 Ų050.3 Ų50.30%027%0.274CS..Hα-helixtrans-60.2-51.7175.200000111.6L220 L223 V234 V236 I253 N255 L259 Q260 L261L220-A257 HydrophobicContact CD2-CB 3.5Å; L223-A257 HydrophobicContact CD2-CB 3.72Å; V234-A257 HydrophobicContact CG2-CB 3.84Å; V236-A257 HydrophobicContact CG2-CB 4.03Å; I253-A257 WeakPolarHBondContact O-CB 3Å; I253-A257 PolarHBondContact O-N 3.04Å; I253-A257 VanDerWaalsContact O-N 3.09Å; N255-A257 VanDerWaalsContact C-N 3.31Å; N255-A257 PolarHBondContact O-N 2.83Å; A257-L259 PolarHBondContact O-N 2.87Å; A257-Q260 PolarHBondContact O-N 3.19Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 WeakPolarHBondContact O-CD1 3.49Å; A257-L261 VanDerWaalsContact O-CG 3.22Å; A257-L261 WeakPolarHBondContact O-CG 3.31Å; A257-L261 PolarHBondContact O-N 3.05Å
258R97Very high95.1Very high87 Ų8755.3 Ų55.333%0.32828%0.282SS..Hα-helixtrans-60.8-47.2180-175.7-175.2-59.390.54.3112.2L223 N254 N255 Q260 L261 E262 I267L223-R258 HydrophobicContact CD1-CB 4.39Å; L223-R258 VanDerWaalsContact CD1-NH2 3.34Å; L223-R258 HydrophobicContact CD2-CB 4.27Å; N254-R258 VanDerWaalsContact O-CB 3.3Å; N254-R258 WeakPolarHBondContact O-CB 3.23Å; N254-R258 PolarHBondContact O-N 2.67Å; N254-R258 PolarHBondContact O-NH1 3.38Å; N255-R258 PolarHBondContact O-N 3.25Å; R258-Q260 VanDerWaalsContact C-N 3.26Å; R258-Q260 PolarHBondContact O-N 3.12Å; R258-L261 PolarHBondContact O-N 2.92Å; R258-E262 HydrophobicContact CG-CG 4.38Å; R258-E262 WeakPolarHBondContact CG-OE1 3.32Å; R258-E262 WeakPolarHBondContact O-CB 3.4Å; R258-E262 WeakPolarHBondContact O-CG 3.47Å; R258-E262 PolarHBondContact O-N 3.23Å; R258-I267 HydrophobicContact CG-CD1 4.12Å
259L97.2Very high94.3Very high94 Ų9458.5 Ų58.549%0.49231%0.306SS..Hα-helixtrans-58.5-42.3180-73.4173000111.2N255 A257 E262 A263N255-L259 WeakPolarHBondContact O-CB 3.31Å; N255-L259 VanDerWaalsContact O-CG 3.31Å; N255-L259 WeakPolarHBondContact O-CG 3.35Å; N255-L259 PolarHBondContact O-N 3.27Å; A257-L259 PolarHBondContact O-N 2.87Å; L259-E262 PolarHBondContact O-N 2.94Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 2.92Å
260Q98.1Very high93Very high17 Ų1765 Ų658%0.07934%0.336CS..Hα-helixtrans-71.9-38.4179.7-172.25722.100112.5S147 A161 V163 V256 A257 R258 E262 A263 E264S147-Q260 PolarHBondContact OG-NE2 3.15Å; A161-Q260 HydrophobicContact CB-CB 3.82Å; A161-Q260 HydrophobicContact CB-CG 4.32Å; V163-Q260 HydrophobicContact CB-CG 4.32Å; V163-Q260 HydrophobicContact CG1-CB 4.2Å; V163-Q260 HydrophobicContact CG1-CG 3.75Å; V163-Q260 HydrophobicContact CG2-CG 3.68Å; V256-Q260 WeakPolarHBondContact O-CB 3.16Å; V256-Q260 PolarHBondContact O-N 3.4Å; V256-Q260 VanDerWaalsContact O-N 3.1Å; A257-Q260 PolarHBondContact O-N 3.19Å; R258-Q260 VanDerWaalsContact C-N 3.26Å; R258-Q260 PolarHBondContact O-N 3.12Å; Q260-E262 VanDerWaalsContact C-N 3.34Å; Q260-A263 PolarHBondContact O-N 3.45Å; Q260-E264 PolarHBondContact NE2-OE1 3.12Å; Q260-E264 WeakPolarHBondContact O-CG 3.47Å; Q260-E264 PolarHBondContact O-N 2.9Å; Q260-E264 VanDerWaalsContact O-N 3.07Å
261L97.6Very high91.3Very high0 Ų072.9 Ų72.90%037%0.373CS..Hα-helixtrans-64.4-37.9174.4-71.8163.7000112.3V163 L223 L224 V229 A257 R258 G265 F266 I267V163-L261 HydrophobicContact CB-CD2 4.4Å; V163-L261 HydrophobicContact CG1-CD2 3.81Å; V163-L261 HydrophobicContact CG1-CG 4.01Å; L223-L261 HydrophobicContact CD2-CD1 4.42Å; L224-L261 HydrophobicContact CD2-CD1 3.57Å; L224-L261 HydrophobicContact CD2-CD2 4.14Å; V229-L261 HydrophobicContact CG1-CD2 4.28Å; V229-L261 HydrophobicContact CG2-CD1 4.46Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 WeakPolarHBondContact O-CD1 3.49Å; A257-L261 VanDerWaalsContact O-CG 3.22Å; A257-L261 WeakPolarHBondContact O-CG 3.31Å; A257-L261 PolarHBondContact O-N 3.05Å; R258-L261 PolarHBondContact O-N 2.92Å; L261-G265 PolarHBondContact O-N 2.93Å; L261-F266 HydrophobicContact CB-CB 4.29Å; L261-F266 HydrophobicContact CD2-CB 3.87Å; L261-F266 HydrophobicContact CD2-CD2 3.92Å; L261-F266 HydrophobicContact CD2-CG 4.06Å; L261-F266 WeakPolarHBondContact O-CB 3.34Å; L261-F266 PolarHBondContact O-N 3.11Å; L261-I267 HydrophobicContact CB-CD1 3.62Å; L261-I267 HydrophobicContact CB-CG1 3.9Å; L261-I267 HydrophobicContact CD1-CD1 4.2Å; L261-I267 PolarHBondContact O-N 3.48Å
262E96.7Very high89.3Confident94 Ų9471.7 Ų71.744%0.43938%0.381SS..Hα-helixtrans-66.9-43.6173.5-75.1173.8-177.100111.5R258 L259 Q260 E264 G265 I267R258-E262 HydrophobicContact CG-CG 4.38Å; R258-E262 WeakPolarHBondContact CG-OE1 3.32Å; R258-E262 WeakPolarHBondContact O-CB 3.4Å; R258-E262 WeakPolarHBondContact O-CG 3.47Å; R258-E262 PolarHBondContact O-N 3.23Å; L259-E262 PolarHBondContact O-N 2.94Å; Q260-E262 VanDerWaalsContact C-N 3.34Å; E262-E264 VanDerWaalsContact C-N 3.32Å; E262-E264 PolarHBondContact O-N 3.14Å; E262-G265 PolarHBondContact O-N 3.44Å; E262-G265 VanDerWaalsContact O-N 3.14Å; E262-I267 HydrophobicContact CG-CB 3.89Å; E262-I267 HydrophobicContact CG-CD1 4.17Å; E262-I267 HydrophobicContact CG-CG2 4.1Å
263A96.2Very high86.9Confident73 Ų7380 Ų8060%0.60342%0.417SS*.Hα-helixtrans-61.7-38.8179.800000112.7L259 Q260 G265L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 2.92Å; Q260-A263 PolarHBondContact O-N 3.45Å; A263-G265 VanDerWaalsContact C-N 3.31Å
264E96.1Very high84.5Confident92 Ų9289 Ų8943%0.4346%0.456SS..THydrogen-bonded Turntrans-884.5178.3-61.3-59.5143.600113.5S147 V163 Q260 E262 F266S147-E264 VanDerWaalsContact CB-OE1 3.25Å; S147-E264 WeakPolarHBondContact CB-OE1 3.24Å; S147-E264 PolarHBondContact OG-OE1 2.79Å; V163-E264 HydrophobicContact CG2-CB 3.97Å; V163-E264 HydrophobicContact CG2-CG 3.49Å; V163-E264 VanDerWaalsContact CG2-CG 3.49Å; Q260-E264 PolarHBondContact NE2-OE1 3.12Å; Q260-E264 WeakPolarHBondContact O-CG 3.47Å; Q260-E264 PolarHBondContact O-N 2.9Å; Q260-E264 VanDerWaalsContact O-N 3.07Å; E262-E264 VanDerWaalsContact C-N 3.32Å; E262-E264 PolarHBondContact O-N 3.14Å; E264-F266 HydrophobicContact CB-CD2 3.72Å; E264-F266 HydrophobicContact CB-CE2 3.68Å; E264-F266 PolarHBondContact O-N 2.86Å
265G94.8Very high82.2Confident57 Ų5793.3 Ų93.359%0.58849%0.486SS*.THydrogen-bonded Turntrans77.114.2173.200000115.6L261 E262 A263 I267L261-G265 PolarHBondContact O-N 2.93Å; E262-G265 PolarHBondContact O-N 3.44Å; E262-G265 VanDerWaalsContact O-N 3.14Å; A263-G265 VanDerWaalsContact C-N 3.31Å; G265-I267 VanDerWaalsContact C-N 3.32Å
266F95.4Very high79.8Confident44 Ų4493.6 Ų93.619%0.19351%0.505CS..SBendtrans-71.8-27174-69.4-71.3000112.8V163 E165 V229 A232 L261 E264V163-F266 HydrophobicContact CB-CE2 4.19Å; V163-F266 HydrophobicContact CG2-CD2 4.33Å; V163-F266 HydrophobicContact CG2-CE2 3.92Å; E165-F266 HydrophobicContact CB-CE1 4.3Å; E165-F266 HydrophobicContact CB-CZ 4.21Å; V229-F266 HydrophobicContact CG1-CB 4.07Å; V229-F266 HydrophobicContact CG2-CB 4.45Å; A232-F266 HydrophobicContact CB-CD1 3.49Å; A232-F266 VanDerWaalsContact CB-CD1 3.49Å; A232-F266 HydrophobicContact CB-CE1 3.49Å; A232-F266 VanDerWaalsContact CB-CE1 3.49Å; A232-F266 HydrophobicContact CB-CG 4.08Å; A232-F266 HydrophobicContact CB-CZ 4.09Å; L261-F266 HydrophobicContact CB-CB 4.29Å; L261-F266 HydrophobicContact CD2-CB 3.87Å; L261-F266 HydrophobicContact CD2-CD2 3.92Å; L261-F266 HydrophobicContact CD2-CG 4.06Å; L261-F266 WeakPolarHBondContact O-CB 3.34Å; L261-F266 PolarHBondContact O-N 3.11Å; E264-F266 HydrophobicContact CB-CD2 3.72Å; E264-F266 HydrophobicContact CB-CE2 3.68Å; E264-F266 PolarHBondContact O-N 2.86Å
267I93.3Very high77.3Confident24 Ų24102.9 Ų102.912%0.12354%0.544CS..SBendtrans-107.6118.8177.3-61.1176.3000108.8A227 V229 R258 L261 E262 G265A227-I267 HydrophobicContact CB-CD1 3.75Å; A227-I267 HydrophobicContact CB-CG1 3.88Å; A227-I267 HydrophobicContact CB-CG2 4.4Å; V229-I267 HydrophobicContact CG2-CD1 4.24Å; V229-I267 HydrophobicContact CG2-CG1 3.6Å; R258-I267 HydrophobicContact CG-CD1 4.12Å; L261-I267 HydrophobicContact CB-CD1 3.62Å; L261-I267 HydrophobicContact CB-CG1 3.9Å; L261-I267 HydrophobicContact CD1-CD1 4.2Å; L261-I267 PolarHBondContact O-N 3.48Å; E262-I267 HydrophobicContact CG-CB 3.89Å; E262-I267 HydrophobicContact CG-CD1 4.17Å; E262-I267 HydrophobicContact CG-CG2 4.1Å; G265-I267 VanDerWaalsContact C-N 3.32Å
268K84.4Confident74.9Confident175 Ų175114.7 Ų114.776%0.76159%0.589SS**PPolyproline II helixtrans-71.5134.1175.9-66.3176.3-175.9168.40109.8K270K268-K270 PolarHBondContact O-N 2.79Å
269P74.8Confident73Confident118 Ų118125.6 Ų125.677%0.76663%0.63SS**PPolyproline II helixtrans-60.8125.5174.722.9-30.8000109.4E271P269-E271 PolarHBondContact O-N 2.84Å; P269-E271 VanDerWaalsContact O-N 3.12Å
270K65.9Low71.8Confident201 Ų201127.2 Ų127.287%0.87464%0.637SS**PPolyproline II helixtrans-61.1117.8173.1-76.2-176.2177.5176.50108.3K268 S272K268-K270 PolarHBondContact O-N 2.79Å; K270-S272 PolarHBondContact O-N 3.26Å
271E55.7Low70.4Confident186 Ų186133 Ų13387%0.86967%0.666SS**  trans-55.5109.9168.8-71.8-171.5165.400108.6P269 K273P269-E271 PolarHBondContact O-N 2.84Å; P269-E271 VanDerWaalsContact O-N 3.12Å; E271-K273 PolarHBondContact O-N 2.9Å
272S49.7Very low68.9Low106 Ų106140.4 Ų140.474%0.74170%0.703SS**  trans-63.2105.5172.8570000107.7K270 K274K270-S272 PolarHBondContact O-N 3.26Å; S272-K274 PolarHBondContact O-N 2.93Å
273K47Very low67.2Low205 Ų205143.1 Ų143.189%0.89172%0.719SS**  trans-56.1107164.7-74.2-173.3177.1178.40106.8E271E271-K273 PolarHBondContact O-N 2.9Å
274K45.4Very low65.4Low188 Ų188147.5 Ų147.582%0.81773%0.726SS**  trans-49134.7171.7-80.7-179.5177.1173.50107.8S272 G276S272-K274 PolarHBondContact O-N 2.93Å; K274-G276 PolarHBondContact O-N 2.99Å
275P47.1Very low63.4Low124 Ų124151.2 Ų151.281%0.80575%0.746SS**  trans-58.4117.8175.524-30.8000107.5K277P275-K277 PolarHBondContact O-N 2.99Å
276G47Very low61.1Low72 Ų72157.9 Ų157.974%0.74276%0.757SS**  trans-56.4111.5177.800000108.7K274 R278K274-G276 PolarHBondContact O-N 2.99Å; G276-R278 PolarHBondContact O-N 3.18Å
277K45.9Very low58.5Low204 Ų204166.7 Ų166.789%0.88780%0.8SS**  trans-65100.1174.1-159.8174.1-172177.20106.6P275 R279P275-K277 PolarHBondContact O-N 2.99Å; K277-R279 PolarHBondContact O-N 2.93Å
278R47.2Very low55.6Low248 Ų248178.6 Ų178.694%0.93686%0.857SS**  trans-58.6119.2169.1-70.8176.791.3160.44.3106.7G276G276-R278 PolarHBondContact O-N 3.18Å
279R56.7Low53Low316 Ų316178.9 Ų178.9100%1.19287%0.866SS**  trans-92.70167.6-127.7-178.2159.4-176.6-7.1108.6K277K277-R279 PolarHBondContact O-N 2.93Å

Retrieved 279 of 279 residues in 122.6 ms (Link to these results)

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