A0A087YJW9_POEFO Loading...

P1, F-box associated domain containing

AlphaFold DB , UniProt , Accession A0A087YJW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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
1M67.1Low82.3Confident133 Ų13370.8 Ų70.866%0.65538%0.384SS*.  0134.90-69.7-170.5-60.400108.9E5 W6 K9M1-E5 VanDerWaalsContact C-OE2 3.25Å; M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CB-CB 4.12Å; M1-E5 WeakPolarHBondContact CB-OE2 3.4Å; M1-W6 HydrophobicContact CB-CD2 4.49Å; M1-W6 HydrophobicContact CE-CD2 3.76Å; M1-W6 VanDerWaalsContact CE-CE2 3.47Å; M1-W6 HydrophobicContact CE-CE3 3.7Å; M1-W6 HydrophobicContact CE-CH2 3.13Å; M1-W6 HydrophobicContact CE-CZ2 3.18Å; M1-W6 HydrophobicContact CE-CZ3 3.37Å; M1-K9 HydrophobicContact CE-CD 4.49Å
2S82.4Confident82.5Confident61 Ų6171.6 Ų71.643%0.42741%0.407SS..  trans-73.1165.1173.7720000111.2A4 E5 W6S2-A4 PolarHBondContact O-N 2.88Å; S2-E5 PolarHBondContact N-OE2 3.45Å; S2-E5 PolarHBondContact O-N 2.62Å; S2-E5 WeakPolarHBondContact OG-CG 3.26Å; S2-E5 PolarHBondContact OG-N 3.29Å; S2-W6 VanDerWaalsContact O-CD1 3.28Å; S2-W6 PolarHBondContact O-N 2.83Å; S2-W6 VanDerWaalsContact O-N 3.11Å
3A78.5Confident82.8Confident66 Ų6674.3 Ų74.355%0.54541%0.414SS..Hα-helixtrans-58.5-35.8176.100000112.4W6 K7A3-W6 PolarHBondContact O-N 3.35Å; A3-K7 WeakPolarHBondContact O-CB 3.49Å; A3-K7 PolarHBondContact O-N 2.93Å
4A82.2Confident83Confident67 Ų6771.7 Ų71.755%0.55440%0.395SS*.Hα-helixtrans-67.1-37.5176.900000112.7S2 K7 Q8S2-A4 PolarHBondContact O-N 2.88Å; A4-K7 WeakPolarHBondContact O-CB 3.1Å; A4-K7 PolarHBondContact O-N 3.15Å; A4-Q8 PolarHBondContact O-N 2.99Å
5E86.5Confident82.9Confident98 Ų9869.5 Ų69.546%0.45840%0.395SS..Hα-helixtrans-68.1-40.2175.8-70.4169.7158.500111.4M1 S2 Q8 K9M1-E5 VanDerWaalsContact C-OE2 3.25Å; M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CB-CB 4.12Å; M1-E5 WeakPolarHBondContact CB-OE2 3.4Å; S2-E5 PolarHBondContact N-OE2 3.45Å; S2-E5 PolarHBondContact O-N 2.62Å; S2-E5 WeakPolarHBondContact OG-CG 3.26Å; S2-E5 PolarHBondContact OG-N 3.29Å; E5-Q8 PolarHBondContact O-N 3.1Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 2.88Å
6W85.5Confident82.8Confident34 Ų3465.1 Ų65.113%0.12937%0.37CS..Hα-helixtrans-63.6-42.7174.4-77.9117.1000112.4M1 S2 A3 K9 C10 W27 K28 Y31M1-W6 HydrophobicContact CB-CD2 4.49Å; M1-W6 HydrophobicContact CE-CD2 3.76Å; M1-W6 VanDerWaalsContact CE-CE2 3.47Å; M1-W6 HydrophobicContact CE-CE3 3.7Å; M1-W6 HydrophobicContact CE-CH2 3.13Å; M1-W6 HydrophobicContact CE-CZ2 3.18Å; M1-W6 HydrophobicContact CE-CZ3 3.37Å; S2-W6 VanDerWaalsContact O-CD1 3.28Å; S2-W6 PolarHBondContact O-N 2.83Å; S2-W6 VanDerWaalsContact O-N 3.11Å; A3-W6 PolarHBondContact O-N 3.35Å; W6-K9 HydrophobicContact CE3-CD 4.31Å; W6-K9 HydrophobicContact CZ3-CD 4.22Å; W6-K9 PolarHBondContact O-N 3.47Å; W6-C10 PolarHBondContact O-N 2.76Å; W6-C10 PolarHBondContact O-SG 2.76Å; W6-W27 HydrophobicContact CB-CB 3.66Å; W6-K28 HydrophobicContact CD2-CB 4.34Å; W6-K28 HydrophobicContact CD2-CG 4.46Å; W6-K28 HydrophobicContact CG-CB 4.24Å; W6-K28 HydrophobicContact CZ2-CD 4.44Å; W6-K28 HydrophobicContact CZ2-CG 3.91Å; W6-Y31 HydrophobicContact CE3-CD1 4Å; W6-Y31 HydrophobicContact CE3-CD2 4.12Å; W6-Y31 AromaticContact CE3-CG 3.72Å; W6-Y31 HydrophobicContact CE3-CG 3.72Å; W6-Y31 HydrophobicContact CH2-CD1 4.01Å; W6-Y31 HydrophobicContact CH2-CE1 4.33Å; W6-Y31 AromaticContact CZ3-CD1 3.28Å; W6-Y31 HydrophobicContact CZ3-CD1 3.28Å; W6-Y31 HydrophobicContact CZ3-CD2 4.06Å; W6-Y31 AromaticContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CE2 4.35Å; W6-Y31 AromaticContact CZ3-CG 3.5Å; W6-Y31 HydrophobicContact CZ3-CG 3.5Å
7K83.5Confident82.5Confident49 Ų4970.9 Ų70.921%0.21339%0.393CS..Hα-helixtrans-57.4-52.7175.2-173.6-175.3-171.81730111.2A3 A4 K9 C10 E11 M21 D23 W27A3-K7 WeakPolarHBondContact O-CB 3.49Å; A3-K7 PolarHBondContact O-N 2.93Å; A4-K7 WeakPolarHBondContact O-CB 3.1Å; A4-K7 PolarHBondContact O-N 3.15Å; K7-K9 VanDerWaalsContact C-N 3.28Å; K7-K9 PolarHBondContact O-N 2.91Å; K7-C10 PolarHBondContact O-N 3.41Å; K7-E11 PolarHBondContact O-N 3.48Å; K7-M21 HydrophobicContact CB-CE 4.47Å; K7-M21 HydrophobicContact CD-CB 4.27Å; K7-M21 WeakPolarHBondContact CE-O 3.17Å; K7-M21 HydrophobicContact CG-CB 4.06Å; K7-M21 HydrophobicContact CG-CE 3.72Å; K7-M21 HydrophobicContact CG-SD 3.89Å; K7-M21 PolarHBondContact NZ-O 3.31Å; K7-M21 VanDerWaalsContact O-CE 3.23Å; K7-M21 WeakPolarHBondContact O-CE 3.45Å; K7-D23 IonicContact NZ-OD1 2.59Å; K7-D23 PolarHBondContact NZ-OD1 3.43Å; K7-W27 HydrophobicContact CB-CD2 4.11Å; K7-W27 HydrophobicContact CB-CG 3.89Å; K7-W27 HydrophobicContact CG-CD2 4.17Å; K7-W27 HydrophobicContact CG-CG 4.39Å; K7-W27 HydrophobicContact CG-CZ2 4.4Å
8Q84.8Confident82.2Confident136 Ų13670.9 Ų70.964%0.63641%0.413SS*.Hα-helixtrans-60.9-38.7178.9-171.1178.317.900112.1A4 E5 E11 A12A4-Q8 PolarHBondContact O-N 2.99Å; E5-Q8 PolarHBondContact O-N 3.1Å; Q8-E11 PolarHBondContact O-N 2.91Å; Q8-A12 WeakPolarHBondContact O-CB 3.23Å; Q8-A12 PolarHBondContact O-N 3.16Å
9K86.2Confident82.3Confident64 Ų6467.7 Ų67.728%0.27840%0.395SS..Hα-helixtrans-64.3-46.2176.4-170.9178.3-178.8-175.50112.2M1 E5 W6 K7 E11 A12 E13 Y31M1-K9 HydrophobicContact CE-CD 4.49Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 2.88Å; W6-K9 HydrophobicContact CE3-CD 4.31Å; W6-K9 HydrophobicContact CZ3-CD 4.22Å; W6-K9 PolarHBondContact O-N 3.47Å; K7-K9 VanDerWaalsContact C-N 3.28Å; K7-K9 PolarHBondContact O-N 2.91Å; K9-E11 PolarHBondContact O-N 2.83Å; K9-A12 PolarHBondContact O-N 2.73Å; K9-E13 WeakPolarHBondContact CE-OE1 3.5Å; K9-E13 HydrophobicContact CG-CG 4.32Å; K9-E13 WeakPolarHBondContact CG-OE1 3.4Å; K9-E13 IonicContact NZ-OE1 4Å; K9-E13 WeakPolarHBondContact O-CB 3.3Å; K9-E13 WeakPolarHBondContact O-CG 3.36Å; K9-E13 PolarHBondContact O-N 3.46Å; K9-Y31 HydrophobicContact CD-CD2 4.49Å; K9-Y31 HydrophobicContact CD-CE2 3.83Å; K9-Y31 WeakPolarHBondContact CE-OH 3.46Å; K9-Y31 HydrophobicContact CG-CE2 4.01Å; K9-Y31 PolarHBondContact NZ-OH 3.15Å
10C85.1Confident82.5Confident0 Ų066.1 Ų66.10%039%0.386CS..Hα-helixtrans-60.5-44.3176.6-65.30000111.6W6 K7 W14 M21 W27W6-C10 PolarHBondContact O-N 2.76Å; W6-C10 PolarHBondContact O-SG 2.76Å; K7-C10 PolarHBondContact O-N 3.41Å; C10-W14 HydrophobicContact CB-CD2 4.46Å; C10-W14 HydrophobicContact CB-CE3 3.81Å; C10-W14 HydrophobicContact CB-CH2 4.48Å; C10-W14 HydrophobicContact CB-CZ3 3.83Å; C10-W14 VanDerWaalsContact O-CB 3.31Å; C10-W14 WeakPolarHBondContact O-CB 3.47Å; C10-W14 PolarHBondContact O-N 3.01Å; C10-M21 HydrophobicContact CB-CE 3.94Å; C10-W27 HydrophobicContact CB-CE3 4.31Å
11E84.1Confident82.7Confident71 Ų7163.9 Ų63.933%0.33237%0.373SS..Hα-helixtrans-60.9-47.5179.7-167.6178.2-163.100111.8K7 Q8 K9 G15 L16 M21K7-E11 PolarHBondContact O-N 3.48Å; Q8-E11 PolarHBondContact O-N 2.91Å; K9-E11 PolarHBondContact O-N 2.83Å; E11-G15 PolarHBondContact O-N 3.3Å; E11-G15 VanDerWaalsContact O-N 3.16Å; E11-L16 PolarHBondContact O-N 3.11Å; E11-M21 HydrophobicContact CB-CE 4.15Å; E11-M21 HydrophobicContact CB-SD 3.72Å; E11-M21 HydrophobicContact CG-SD 4.03Å
12A84.4Confident83.6Confident80 Ų8058.8 Ų58.866%0.66135%0.35SS*.Hα-helixtrans-69.5-45.1-177.900000112.6Q8 K9Q8-A12 WeakPolarHBondContact O-CB 3.23Å; Q8-A12 PolarHBondContact O-N 3.16Å; K9-A12 PolarHBondContact O-N 2.73Å
13E86.6Confident83.7Confident107 Ų10762.5 Ų62.550%0.537%0.365SS..Hα-helixtrans-74.7-31.8-176.3-72-173.5-170.700113.1K9 Y31K9-E13 WeakPolarHBondContact CE-OE1 3.5Å; K9-E13 HydrophobicContact CG-CG 4.32Å; K9-E13 WeakPolarHBondContact CG-OE1 3.4Å; K9-E13 IonicContact NZ-OE1 4Å; K9-E13 WeakPolarHBondContact O-CB 3.3Å; K9-E13 WeakPolarHBondContact O-CG 3.36Å; K9-E13 PolarHBondContact O-N 3.46Å; E13-Y31 WeakPolarHBondContact OE2-CE2 3.31Å; E13-Y31 PolarHBondContact OE2-OH 2.89Å
14W85.1Confident84Confident38 Ų3864.3 Ų64.314%0.14438%0.38CS..Hα-helixtrans-101.93.6-176.4-56.5-23.8000113.6C10 L16 V30 Y31 L36 P229C10-W14 HydrophobicContact CB-CD2 4.46Å; C10-W14 HydrophobicContact CB-CE3 3.81Å; C10-W14 HydrophobicContact CB-CH2 4.48Å; C10-W14 HydrophobicContact CB-CZ3 3.83Å; C10-W14 VanDerWaalsContact O-CB 3.31Å; C10-W14 WeakPolarHBondContact O-CB 3.47Å; C10-W14 PolarHBondContact O-N 3.01Å; W14-L16 VanDerWaalsContact C-N 3.25Å; W14-L16 HydrophobicContact CB-CD1 4.18Å; W14-L16 HydrophobicContact CB-CG 4.04Å; W14-L16 HydrophobicContact CE3-CD1 3.95Å; W14-L16 PolarHBondContact O-N 2.88Å; W14-V30 HydrophobicContact CH2-CG1 4.07Å; W14-V30 HydrophobicContact CZ3-CG1 3.89Å; W14-Y31 HydrophobicContact CZ2-CD2 4.16Å; W14-L36 HydrophobicContact CB-CD1 4.04Å; W14-L36 HydrophobicContact CD2-CD1 4.07Å; W14-L36 HydrophobicContact CE3-CD1 3.76Å; W14-L36 HydrophobicContact CG-CD1 4.24Å; W14-L36 HydrophobicContact CZ3-CD1 4.44Å; W14-P229 WeakPolarHBondContact O-CB 3.05Å; W14-P229 WeakPolarHBondContact O-CG 3.46Å
15G81.3Confident84.2Confident38 Ų3862.8 Ų62.839%0.39236%0.363SS..THydrogen-bonded Turntrans63.429.9176.500000113.6E11 Q17E11-G15 PolarHBondContact O-N 3.3Å; E11-G15 VanDerWaalsContact O-N 3.16Å; G15-Q17 PolarHBondContact O-N 3.42Å
16L82.1Confident84.3Confident0 Ų062.8 Ų62.80%037%0.366CS..  trans-8135.8-176-71.1174.2000113.1E11 W14 G18 A19 L36 W123 L126 F130 P229E11-L16 PolarHBondContact O-N 3.11Å; W14-L16 VanDerWaalsContact C-N 3.25Å; W14-L16 HydrophobicContact CB-CD1 4.18Å; W14-L16 HydrophobicContact CB-CG 4.04Å; W14-L16 HydrophobicContact CE3-CD1 3.95Å; W14-L16 PolarHBondContact O-N 2.88Å; L16-G18 PolarHBondContact O-N 2.76Å; L16-G18 VanDerWaalsContact O-N 3.12Å; L16-A19 HydrophobicContact CB-CB 3.89Å; L16-A19 HydrophobicContact CD2-CB 4.24Å; L16-A19 VanDerWaalsContact O-CB 3.23Å; L16-A19 WeakPolarHBondContact O-CB 3.09Å; L16-A19 PolarHBondContact O-N 3.38Å; L16-L36 HydrophobicContact CD1-CD1 3.98Å; L16-L36 HydrophobicContact CD2-CD1 4.1Å; L16-L36 HydrophobicContact CG-CD1 4.28Å; L16-W123 HydrophobicContact CD1-CH2 3.82Å; L16-L126 HydrophobicContact CD2-CD1 3.9Å; L16-F130 HydrophobicContact CD2-CE1 4.17Å; L16-F130 HydrophobicContact CD2-CZ 4.37Å; L16-P229 HydrophobicContact CD2-CB 3.63Å; L16-P229 HydrophobicContact CG-CB 4.3Å
17Q76.9Confident84.4Confident163 Ų16361.3 Ų61.376%0.76236%0.361SS*.THydrogen-bonded Turntrans-59.3118.5-176.1-72.5155.7-12.400110.5G15 A19G15-Q17 PolarHBondContact O-N 3.42Å; Q17-A19 VanDerWaalsContact C-N 3.32Å
18G77.2Confident84.6Confident72 Ų7263.7 Ų63.774%0.74237%0.371SS*.THydrogen-bonded Turntrans81.63.7-177.300000115L16L16-G18 PolarHBondContact O-N 2.76Å; L16-G18 VanDerWaalsContact O-N 3.12Å
19A84.6Confident84.7Confident9 Ų960 Ų607%0.07436%0.361CS..  trans-70.8139167.900000110L16 Q17 M21 L126 F130L16-A19 HydrophobicContact CB-CB 3.89Å; L16-A19 HydrophobicContact CD2-CB 4.24Å; L16-A19 VanDerWaalsContact O-CB 3.23Å; L16-A19 WeakPolarHBondContact O-CB 3.09Å; L16-A19 PolarHBondContact O-N 3.38Å; Q17-A19 VanDerWaalsContact C-N 3.32Å; A19-M21 PolarHBondContact O-N 2.98Å; A19-L126 HydrophobicContact CB-CD1 4.03Å; A19-F130 HydrophobicContact CB-CB 4.26Å; A19-F130 HydrophobicContact CB-CD2 3.66Å; A19-F130 HydrophobicContact CB-CE2 4.12Å; A19-F130 HydrophobicContact CB-CG 3.95Å
20P86.6Confident84.8Confident35 Ų3557.5 Ų57.523%0.22735%0.351CS..  trans-68.8124175.729.2-34.6000109.9P22 W123 E125 K129P20-P22 WeakPolarHBondContact O-CD 3.13Å; P20-W123 PolarHBondContact O-NE1 3.29Å; P20-E125 HydrophobicContact CB-CB 3.73Å; P20-E125 VanDerWaalsContact CG-C 3.42Å; P20-E125 HydrophobicContact CG-CB 3.42Å; P20-E125 VanDerWaalsContact CG-CB 3.42Å; P20-E125 WeakPolarHBondContact CG-O 3.49Å; P20-K129 HydrophobicContact CB-CD 4.39Å; P20-K129 HydrophobicContact CG-CB 4.1Å; P20-K129 HydrophobicContact CG-CD 4.15Å
21M85.6Confident84.9Confident21 Ų2159.3 Ų59.310%0.10336%0.358CS..  trans-117.992.8179.3-62.7-174.690.600109.6K7 C10 E11 A19 W27 W123K7-M21 HydrophobicContact CB-CE 4.47Å; K7-M21 HydrophobicContact CD-CB 4.27Å; K7-M21 WeakPolarHBondContact CE-O 3.17Å; K7-M21 HydrophobicContact CG-CB 4.06Å; K7-M21 HydrophobicContact CG-CE 3.72Å; K7-M21 HydrophobicContact CG-SD 3.89Å; K7-M21 PolarHBondContact NZ-O 3.31Å; K7-M21 VanDerWaalsContact O-CE 3.23Å; K7-M21 WeakPolarHBondContact O-CE 3.45Å; C10-M21 HydrophobicContact CB-CE 3.94Å; E11-M21 HydrophobicContact CB-CE 4.15Å; E11-M21 HydrophobicContact CB-SD 3.72Å; E11-M21 HydrophobicContact CG-SD 4.03Å; A19-M21 PolarHBondContact O-N 2.98Å; M21-W27 HydrophobicContact CB-CH2 3.68Å; M21-W27 HydrophobicContact CB-CZ2 3.43Å; M21-W27 VanDerWaalsContact CB-CZ2 3.43Å; M21-W27 HydrophobicContact CE-CD2 4.25Å; M21-W27 HydrophobicContact CE-CE3 3.72Å; M21-W27 HydrophobicContact CE-CH2 3.43Å; M21-W27 VanDerWaalsContact CE-CH2 3.43Å; M21-W27 HydrophobicContact CE-CZ2 3.99Å; M21-W27 HydrophobicContact CE-CZ3 3.27Å; M21-W27 HydrophobicContact CG-CH2 3.73Å; M21-W27 HydrophobicContact CG-CZ2 4.04Å; M21-W27 HydrophobicContact SD-CH2 4.42Å; M21-W123 HydrophobicContact CG-CZ2 4.47Å
22P87.1Confident85.1Confident26 Ų2661.6 Ų61.617%0.16937%0.368CS..  trans-69.9148.3-178.130.3-37.9000112.3P20 A24 V25 W27P20-P22 WeakPolarHBondContact O-CD 3.13Å; P22-A24 VanDerWaalsContact C-N 3.27Å; P22-A24 PolarHBondContact O-N 2.8Å; P22-V25 HydrophobicContact CG-CB 4.21Å; P22-V25 HydrophobicContact CG-CG2 3.53Å; P22-W27 PolarHBondContact O-NE1 2.82Å
23D83.9Confident85.2Confident138 Ų13859.5 Ų59.574%0.73835%0.351SS*.THydrogen-bonded Turntrans-78.3-13.8178.6-60.7-32.9000113K7 V25K7-D23 IonicContact NZ-OD1 2.59Å; K7-D23 PolarHBondContact NZ-OD1 3.43Å; D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 3.47Å
24A85.5Confident85.3Confident104 Ų10460.3 Ų60.386%0.8635%0.353SS*.THydrogen-bonded Turntrans-77.1-11.3177.300000113.7P22P22-A24 VanDerWaalsContact C-N 3.27Å; P22-A24 PolarHBondContact O-N 2.8Å
25V86.3Confident85.5Confident35 Ų3558.5 Ų58.521%0.21235%0.346CS..SBendtrans-88.5136.2-179.7168.80000110.3P22 D23 W27 V30 W123P22-V25 HydrophobicContact CG-CB 4.21Å; P22-V25 HydrophobicContact CG-CG2 3.53Å; D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 3.47Å; V25-W27 HydrophobicContact CB-CZ2 4.32Å; V25-W27 HydrophobicContact CG1-CD2 4.41Å; V25-W27 HydrophobicContact CG1-CZ2 4.38Å; V25-W27 VanDerWaalsContact O-CD1 3.24Å; V25-W27 PolarHBondContact O-N 3.21Å; V25-V30 HydrophobicContact CG1-CG2 3.54Å; V25-W123 HydrophobicContact CG2-CB 4.03Å; V25-W123 HydrophobicContact CG2-CG 4.42Å
26D88.5Confident86.1Confident98 Ų9857.6 Ų57.652%0.52433%0.333SS..  trans-74.990.8171-170.7-15.9000110.4K28 S29 V30D26-K28 PolarHBondContact O-N 3.15Å; D26-K28 WeakPolarHBondContact OD1-CB 2.99Å; D26-K28 PolarHBondContact OD1-N 2.75Å; D26-S29 PolarHBondContact O-N 3.36Å; D26-S29 VanDerWaalsContact O-N 3.15Å; D26-S29 PolarHBondContact OD1-N 3.36Å; D26-S29 PolarHBondContact OD2-OG 2.94Å; D26-V30 WeakPolarHBondContact O-CG2 3.33Å; D26-V30 PolarHBondContact O-N 3.2Å
27W87.2Confident86.5Confident3 Ų360.3 Ų60.31%0.01136%0.36CS..Hα-helixtrans-61.2-23.6179.8-69.2102.3000113.8W6 K7 C10 M21 P22 V25 V30 Y31 W123W6-W27 HydrophobicContact CB-CB 3.66Å; K7-W27 HydrophobicContact CB-CD2 4.11Å; K7-W27 HydrophobicContact CB-CG 3.89Å; K7-W27 HydrophobicContact CG-CD2 4.17Å; K7-W27 HydrophobicContact CG-CG 4.39Å; K7-W27 HydrophobicContact CG-CZ2 4.4Å; C10-W27 HydrophobicContact CB-CE3 4.31Å; M21-W27 HydrophobicContact CB-CH2 3.68Å; M21-W27 HydrophobicContact CB-CZ2 3.43Å; M21-W27 VanDerWaalsContact CB-CZ2 3.43Å; M21-W27 HydrophobicContact CE-CD2 4.25Å; M21-W27 HydrophobicContact CE-CE3 3.72Å; M21-W27 HydrophobicContact CE-CH2 3.43Å; M21-W27 VanDerWaalsContact CE-CH2 3.43Å; M21-W27 HydrophobicContact CE-CZ2 3.99Å; M21-W27 HydrophobicContact CE-CZ3 3.27Å; M21-W27 HydrophobicContact CG-CH2 3.73Å; M21-W27 HydrophobicContact CG-CZ2 4.04Å; M21-W27 HydrophobicContact SD-CH2 4.42Å; P22-W27 PolarHBondContact O-NE1 2.82Å; V25-W27 HydrophobicContact CB-CZ2 4.32Å; V25-W27 HydrophobicContact CG1-CD2 4.41Å; V25-W27 HydrophobicContact CG1-CZ2 4.38Å; V25-W27 VanDerWaalsContact O-CD1 3.24Å; V25-W27 PolarHBondContact O-N 3.21Å; W27-V30 HydrophobicContact CE3-CB 4.47Å; W27-V30 HydrophobicContact CE3-CG1 4.36Å; W27-V30 HydrophobicContact CZ3-CG1 4.35Å; W27-Y31 VanDerWaalsContact O-CB 3.26Å; W27-Y31 WeakPolarHBondContact O-CB 3.3Å; W27-Y31 PolarHBondContact O-N 2.84Å; W27-W123 HydrophobicContact CH2-CD2 4.13Å; W27-W123 AromaticContact CH2-CE2 3.73Å; W27-W123 HydrophobicContact CH2-CE3 4.25Å; W27-W123 AromaticContact CH2-CH2 3.7Å; W27-W123 HydrophobicContact CH2-CH2 3.7Å; W27-W123 AromaticContact CH2-CZ2 3.54Å; W27-W123 HydrophobicContact CH2-CZ2 3.54Å; W27-W123 HydrophobicContact CH2-CZ3 4.05Å; W27-W123 HydrophobicContact CZ3-CE3 4.27Å; W27-W123 AromaticContact CZ3-CH2 3.64Å; W27-W123 HydrophobicContact CZ3-CH2 3.64Å; W27-W123 AromaticContact CZ3-CZ2 4Å; W27-W123 HydrophobicContact CZ3-CZ2 4Å; W27-W123 AromaticContact CZ3-CZ3 3.78Å; W27-W123 HydrophobicContact CZ3-CZ3 3.78Å
28K87.9Confident87.3Confident99 Ų9956.4 Ų56.443%0.4334%0.339SS..Hα-helixtrans-69.6-48.9174.9-177-176.2171.3-165.80109.9W6 D26 V30 Y31 E32W6-K28 HydrophobicContact CD2-CB 4.34Å; W6-K28 HydrophobicContact CD2-CG 4.46Å; W6-K28 HydrophobicContact CG-CB 4.24Å; W6-K28 HydrophobicContact CZ2-CD 4.44Å; W6-K28 HydrophobicContact CZ2-CG 3.91Å; D26-K28 PolarHBondContact O-N 3.15Å; D26-K28 WeakPolarHBondContact OD1-CB 2.99Å; D26-K28 PolarHBondContact OD1-N 2.75Å; K28-V30 PolarHBondContact O-N 3.19Å; K28-Y31 PolarHBondContact O-N 2.79Å; K28-E32 WeakPolarHBondContact CE-OE1 3.36Å; K28-E32 IonicContact NZ-OE1 3.6Å; K28-E32 WeakPolarHBondContact O-CG 3.4Å; K28-E32 PolarHBondContact O-N 3.36Å
29S87.5Confident88.3Confident59 Ų5955.2 Ų55.241%0.41332%0.315SS..Hα-helixtrans-63.2-40.6177.2-63.10000112.4D26 E32 A33D26-S29 PolarHBondContact O-N 3.36Å; D26-S29 VanDerWaalsContact O-N 3.15Å; D26-S29 PolarHBondContact OD1-N 3.36Å; D26-S29 PolarHBondContact OD2-OG 2.94Å; S29-E32 PolarHBondContact O-N 3.09Å; S29-A33 WeakPolarHBondContact O-CB 3.23Å; S29-A33 PolarHBondContact O-N 3.31Å
30V87.1Confident88.9Confident12 Ų1255 Ų557%0.07331%0.313CS..Hα-helixtrans-60.9-45.9175.1172.10000111W14 V25 D26 W27 K28 E32 A33 K34 P35 W123W14-V30 HydrophobicContact CH2-CG1 4.07Å; W14-V30 HydrophobicContact CZ3-CG1 3.89Å; V25-V30 HydrophobicContact CG1-CG2 3.54Å; D26-V30 WeakPolarHBondContact O-CG2 3.33Å; D26-V30 PolarHBondContact O-N 3.2Å; W27-V30 HydrophobicContact CE3-CB 4.47Å; W27-V30 HydrophobicContact CE3-CG1 4.36Å; W27-V30 HydrophobicContact CZ3-CG1 4.35Å; K28-V30 PolarHBondContact O-N 3.19Å; V30-E32 VanDerWaalsContact C-N 3.34Å; V30-E32 PolarHBondContact O-N 3.07Å; V30-A33 PolarHBondContact O-N 3Å; V30-K34 PolarHBondContact O-N 3.08Å; V30-P35 HydrophobicContact CG1-CG 4.33Å; V30-P35 VanDerWaalsContact O-CD 3.3Å; V30-P35 WeakPolarHBondContact O-CD 3.16Å; V30-W123 HydrophobicContact CG1-CE3 4.31Å; V30-W123 HydrophobicContact CG1-CZ3 3.94Å
31Y86.6Confident89.4Confident37 Ų3753.8 Ų53.815%0.14530%0.304CS..Hα-helixtrans-60.5-42.3176.8-174.9-85.8000112.3W6 K9 E13 W14 W27 K28 K34W6-Y31 HydrophobicContact CE3-CD1 4Å; W6-Y31 HydrophobicContact CE3-CD2 4.12Å; W6-Y31 AromaticContact CE3-CG 3.72Å; W6-Y31 HydrophobicContact CE3-CG 3.72Å; W6-Y31 HydrophobicContact CH2-CD1 4.01Å; W6-Y31 HydrophobicContact CH2-CE1 4.33Å; W6-Y31 AromaticContact CZ3-CD1 3.28Å; W6-Y31 HydrophobicContact CZ3-CD1 3.28Å; W6-Y31 HydrophobicContact CZ3-CD2 4.06Å; W6-Y31 AromaticContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CE2 4.35Å; W6-Y31 AromaticContact CZ3-CG 3.5Å; W6-Y31 HydrophobicContact CZ3-CG 3.5Å; K9-Y31 HydrophobicContact CD-CD2 4.49Å; K9-Y31 HydrophobicContact CD-CE2 3.83Å; K9-Y31 WeakPolarHBondContact CE-OH 3.46Å; K9-Y31 HydrophobicContact CG-CE2 4.01Å; K9-Y31 PolarHBondContact NZ-OH 3.15Å; E13-Y31 WeakPolarHBondContact OE2-CE2 3.31Å; E13-Y31 PolarHBondContact OE2-OH 2.89Å; W14-Y31 HydrophobicContact CZ2-CD2 4.16Å; W27-Y31 VanDerWaalsContact O-CB 3.26Å; W27-Y31 WeakPolarHBondContact O-CB 3.3Å; W27-Y31 PolarHBondContact O-N 2.84Å; K28-Y31 PolarHBondContact O-N 2.79Å; Y31-K34 WeakPolarHBondContact O-CG 3.35Å; Y31-K34 PolarHBondContact O-N 2.97Å
32E88.2Confident89.9Confident119 Ų11959 Ų5956%0.55633%0.326SS*.Hα-helixtrans-66.6-37.7177.6-73.117317800112.1K28 S29 V30 K34K28-E32 WeakPolarHBondContact CE-OE1 3.36Å; K28-E32 IonicContact NZ-OE1 3.6Å; K28-E32 WeakPolarHBondContact O-CG 3.4Å; K28-E32 PolarHBondContact O-N 3.36Å; S29-E32 PolarHBondContact O-N 3.09Å; V30-E32 VanDerWaalsContact C-N 3.34Å; V30-E32 PolarHBondContact O-N 3.07Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 3.29Å
33A87.4Confident90.3Very high37 Ų3759.9 Ų59.931%0.30633%0.33SS..Hα-helixtrans-69.5-21.9178.400000114S29 V30 R38S29-A33 WeakPolarHBondContact O-CB 3.23Å; S29-A33 PolarHBondContact O-N 3.31Å; V30-A33 PolarHBondContact O-N 3Å; A33-R38 PolarHBondContact O-NE 3.03Å; A33-R38 VanDerWaalsContact O-NE 3.11Å; A33-R38 PolarHBondContact O-NH2 3.19Å
34K88.8Confident90.8Very high123 Ų12355.2 Ų55.254%0.53531%0.307SS..  trans39.659.9-177.9-61.2-175.3-178.3-1800112.3V30 Y31 E32 L36 R38V30-K34 PolarHBondContact O-N 3.08Å; Y31-K34 WeakPolarHBondContact O-CG 3.35Å; Y31-K34 PolarHBondContact O-N 2.97Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 3.29Å; K34-L36 PolarHBondContact O-N 3.2Å; K34-R38 VanDerWaalsContact O-CD 3.26Å; K34-R38 WeakPolarHBondContact O-CD 3.48Å; K34-R38 WeakPolarHBondContact O-CG 3.3Å; K34-R38 PolarHBondContact O-NE 3.15Å
35P89.4Confident91.2Very high0 Ų051.3 Ų51.30%027%0.273CS..  trans-63.5-23-17220.6-31.7000114.2V30 E120 L122V30-P35 HydrophobicContact CG1-CG 4.33Å; V30-P35 VanDerWaalsContact O-CD 3.3Å; V30-P35 WeakPolarHBondContact O-CD 3.16Å; P35-E120 WeakPolarHBondContact CB-O 3.45Å; P35-L122 HydrophobicContact CB-CD2 3.96Å; P35-L122 HydrophobicContact CB-CG 3.88Å; P35-L122 HydrophobicContact CG-CD2 4.42Å
36L92.6Very high91.6Very high20 Ų2050 Ų5011%0.10527%0.265CS..SBendtrans-96.7137.7-171.6-62166.8000111W14 L16 K34 R38 L122 V227 P229W14-L36 HydrophobicContact CB-CD1 4.04Å; W14-L36 HydrophobicContact CD2-CD1 4.07Å; W14-L36 HydrophobicContact CE3-CD1 3.76Å; W14-L36 HydrophobicContact CG-CD1 4.24Å; W14-L36 HydrophobicContact CZ3-CD1 4.44Å; L16-L36 HydrophobicContact CD1-CD1 3.98Å; L16-L36 HydrophobicContact CD2-CD1 4.1Å; L16-L36 HydrophobicContact CG-CD1 4.28Å; K34-L36 PolarHBondContact O-N 3.2Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 3.02Å; L36-L122 HydrophobicContact CD2-CD2 3.86Å; L36-V227 CarbonylContact C-O 3.58Å; L36-V227 WeakPolarHBondContact CA-O 3.45Å; L36-V227 HydrophobicContact CD2-CB 4.17Å; L36-V227 HydrophobicContact CD2-CG1 3.67Å; L36-P229 HydrophobicContact CD1-CB 4.13Å
37G91.6Very high91.7Very high56 Ų5647 Ų4758%0.57725%0.249SC*.SBendtrans76.56.3173.700000115.9V227G37-V227 PolarHBondContact N-O 3.32Å
38R94.6Very high91.8Very high82 Ų8249.9 Ų49.931%0.30928%0.28SS..SBendtrans-110.7162.1171.369.9173.7174.787.8-1.7111.8A33 K34 L36 L40 E120A33-R38 PolarHBondContact O-NE 3.03Å; A33-R38 VanDerWaalsContact O-NE 3.11Å; A33-R38 PolarHBondContact O-NH2 3.19Å; K34-R38 VanDerWaalsContact O-CD 3.26Å; K34-R38 WeakPolarHBondContact O-CD 3.48Å; K34-R38 WeakPolarHBondContact O-CG 3.3Å; K34-R38 PolarHBondContact O-NE 3.15Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 3.02Å; R38-L40 HydrophobicContact CG-CD2 4.17Å; R38-E120 IonicContact CZ-OE2 3.13Å; R38-E120 VanDerWaalsContact CZ-OE2 3.24Å; R38-E120 IonicContact NH1-OE2 3.55Å; R38-E120 PolarHBondContact NH1-OE2 3Å; R38-E120 PolarHBondContact NH2-O 2.9Å; R38-E120 IonicContact NH2-OE2 2.73Å; R38-E120 PolarHBondContact NH2-OE2 3.49Å
39N96.6Very high92Very high46 Ų4648 Ų4825%0.24627%0.272CS..BIsolated β-bridgetrans-72.3131.2170.7-166.2-0.2000110.2L41 S223 S224 V225N39-L41 PolarHBondContact OD1-N 3.33Å; N39-S223 PolarHBondContact ND2-O 3Å; N39-S224 WeakPolarHBondContact ND2-CB 3.45Å; N39-S224 VanDerWaalsContact OD1-CA 3.25Å; N39-S224 WeakPolarHBondContact OD1-CA 3.45Å; N39-V225 PolarHBondContact OD1-N 2.97Å; N39-V225 PolarHBondContact OD1-O 3.34Å
40L97.1Very high92.3Very high6 Ų646.8 Ų46.83%0.03126%0.263CS..  trans-96-11.4177-55.4-174.4000113R38 V115 L117 E120 V225 V227R38-L40 HydrophobicContact CG-CD2 4.17Å; L40-V115 HydrophobicContact CB-CG1 3.7Å; L40-V115 HydrophobicContact CB-CG2 4.23Å; L40-V115 HydrophobicContact CD1-CG1 3.92Å; L40-V115 HydrophobicContact CG-CG1 4.44Å; L40-L117 HydrophobicContact CD1-CD2 3.84Å; L40-E120 HydrophobicContact CD2-CB 4.13Å; L40-E120 HydrophobicContact CD2-CG 4.14Å; L40-V225 HydrophobicContact CB-CB 4.44Å; L40-V225 WeakPolarHBondContact CB-O 3.33Å; L40-V225 WeakPolarHBondContact CG-O 3.19Å; L40-V225 PolarHBondContact N-O 3.02Å; L40-V227 HydrophobicContact CD1-CG2 3.82Å
41L96.9Very high92.5Very high9 Ų949.6 Ų49.65%0.04728%0.275CS..SBendtrans-76.7140.7170.9-63.7-179000110.5N39 W80 Q113 V115 F203 V225N39-L41 PolarHBondContact OD1-N 3.33Å; L41-W80 HydrophobicContact CD1-CH2 4.11Å; L41-Q113 HydrophobicContact CD2-CB 4.01Å; L41-V115 HydrophobicContact CD2-CG2 3.86Å; L41-F203 HydrophobicContact CD1-CD1 4.06Å; L41-F203 HydrophobicContact CD1-CD2 3.94Å; L41-F203 HydrophobicContact CD1-CE1 4.23Å; L41-F203 HydrophobicContact CD1-CE2 4.09Å; L41-F203 HydrophobicContact CD1-CG 3.92Å; L41-F203 HydrophobicContact CD1-CZ 4.24Å; L41-F203 HydrophobicContact CD2-CB 3.97Å; L41-F203 HydrophobicContact CD2-CG 4.24Å; L41-V225 HydrophobicContact CD1-CG2 3.95Å; L41-V225 HydrophobicContact CD2-CB 4.5Å; L41-V225 HydrophobicContact CD2-CG2 3.85Å; L41-V225 HydrophobicContact CG-CB 4.13Å; L41-V225 HydrophobicContact CG-CG2 3.72Å
42K96.7Very high92.8Very high129 Ų12953.8 Ų53.856%0.56130%0.3SS*.SBendtrans-90.1141.7173.2-62.4175.5-177.81740109.3Q113K42-Q113 PolarHBondContact O-NE2 2.91Å
43N95.9Very high93Very high46 Ų4651.7 Ų51.725%0.24630%0.295CS..SBendtrans47.267-179.5-169.810.3000113.1S45 P46 D76 W80N43-S45 PolarHBondContact O-N 2.71Å; N43-P46 WeakPolarHBondContact O-CD 3.38Å; N43-P46 WeakPolarHBondContact OD1-CA 3.37Å; N43-D76 PolarHBondContact ND2-O 2.99Å; N43-W80 PolarHBondContact O-NE1 3.33Å
44P95Very high93.2Very high39 Ų3955.1 Ų55.125%0.25331%0.314SS..SBendtrans-69.3-15-173.830.6-38000114.4D222 S223P44-D222 PolarHBondContact O-N 3.03Å; P44-S223 WeakPolarHBondContact CB-O 3.41Å; P44-S223 PolarHBondContact O-N 2.86Å
45S94.1Very high93.2Very high22 Ų2249.6 Ų49.615%0.15429%0.291CS..  trans-131.767.5-179.8-59.10000110.5N43 I47 G48 F49 T221 D222N43-S45 PolarHBondContact O-N 2.71Å; S45-I47 PolarHBondContact O-N 3.01Å; S45-I47 VanDerWaalsContact O-N 3.13Å; S45-G48 PolarHBondContact O-N 3.41Å; S45-F49 VanDerWaalsContact CB-O 3.28Å; S45-F49 WeakPolarHBondContact CB-O 3.24Å; S45-F49 PolarHBondContact OG-O 2.98Å; S45-T221 PolarHBondContact OG-OG1 3.47Å; S45-D222 PolarHBondContact OG-N 2.99Å
46P93.3Very high93.1Very high7 Ų751.6 Ų51.65%0.04530%0.304CS..THydrogen-bonded Turntrans-66.4-17.5-172.926.8-34000114N43 G75 D76 F77 F220N43-P46 WeakPolarHBondContact O-CD 3.38Å; N43-P46 WeakPolarHBondContact OD1-CA 3.37Å; P46-G75 CarbonylContact O-C 3.55Å; P46-G75 WeakPolarHBondContact O-CA 3.36Å; P46-D76 WeakPolarHBondContact CB-O 3.4Å; P46-D76 PolarHBondContact O-N 3.34Å; P46-F77 HydrophobicContact CB-CD1 3.65Å; P46-F77 HydrophobicContact CB-CE1 3.79Å; P46-F77 HydrophobicContact CG-CD1 3.7Å; P46-F77 HydrophobicContact CG-CE1 3.58Å; P46-F220 HydrophobicContact CG-CE1 4.1Å; P46-F220 HydrophobicContact CG-CE2 3.86Å; P46-F220 HydrophobicContact CG-CZ 3.28Å
47I90.4Very high92.8Very high35 Ų3557.4 Ų57.418%0.17933%0.33CS..THydrogen-bonded Turntrans-88.2-8.9176.3-45.4176.1000111.2S45 F49 F77 F220S45-I47 PolarHBondContact O-N 3.01Å; S45-I47 VanDerWaalsContact O-N 3.13Å; I47-F49 HydrophobicContact CB-CD2 4.02Å; I47-F49 HydrophobicContact CB-CE2 4.14Å; I47-F49 HydrophobicContact CG2-CD2 3.71Å; I47-F49 HydrophobicContact CG2-CE2 3.31Å; I47-F49 HydrophobicContact CG2-CZ 4.18Å; I47-F77 HydrophobicContact CG1-CE1 4.29Å; I47-F77 HydrophobicContact CG1-CZ 4.15Å; I47-F220 HydrophobicContact CD1-CD1 3.72Å; I47-F220 HydrophobicContact CD1-CE1 3.73Å; I47-F220 HydrophobicContact CG1-CE1 4.18Å
48G90.8Very high92.1Very high65 Ų6556.6 Ų56.667%0.6732%0.315SS*.SBendtrans83.912.3176.500000115.3S45S45-G48 PolarHBondContact O-N 3.41Å
49F91.7Very high91.2Very high60 Ų6061.5 Ų61.526%0.26334%0.341SS..  trans-89.9169.6173.6-59.2-50.7000112.5S45 I47 P56 W183 T221S45-F49 VanDerWaalsContact CB-O 3.28Å; S45-F49 WeakPolarHBondContact CB-O 3.24Å; S45-F49 PolarHBondContact OG-O 2.98Å; I47-F49 HydrophobicContact CB-CD2 4.02Å; I47-F49 HydrophobicContact CB-CE2 4.14Å; I47-F49 HydrophobicContact CG2-CD2 3.71Å; I47-F49 HydrophobicContact CG2-CE2 3.31Å; I47-F49 HydrophobicContact CG2-CZ 4.18Å; F49-P56 HydrophobicContact CD1-CG 4.11Å; F49-P56 HydrophobicContact CE1-CB 4.26Å; F49-P56 HydrophobicContact CE1-CG 3.46Å; F49-P56 VanDerWaalsContact CE1-CG 3.46Å; F49-P56 HydrophobicContact CE2-CG 4.2Å; F49-P56 HydrophobicContact CZ-CG 3.52Å; F49-W183 HydrophobicContact CB-CH2 3.99Å; F49-W183 HydrophobicContact CB-CZ2 3.72Å; F49-W183 HydrophobicContact CD2-CH2 4.34Å; F49-W183 HydrophobicContact CG-CH2 4.42Å; F49-W183 HydrophobicContact CG-CZ2 4.24Å; F49-T221 VanDerWaalsContact C-OG1 3.24Å; F49-T221 PolarHBondContact O-OG1 3.08Å
50S92.8Very high90.2Very high32 Ų3266.8 Ų66.822%0.22436%0.359CS..  trans-139.9143169.9-178.70000110.2D52 T53 W183 T221 D222S50-D52 PolarHBondContact O-N 3.16Å; S50-D52 PolarHBondContact OG-N 3.11Å; S50-T53 PolarHBondContact O-N 2.93Å; S50-T53 PolarHBondContact O-OG1 3.32Å; S50-W183 PolarHBondContact O-NE1 3.42Å; S50-T221 WeakPolarHBondContact CA-OG1 3.49Å; S50-D222 VanDerWaalsContact CA-OD2 3.24Å; S50-D222 WeakPolarHBondContact CA-OD2 3.2Å; S50-D222 PolarHBondContact OG-OD2 2.71Å
51K91.5Very high89.2Confident72 Ų7269.8 Ų69.831%0.31338%0.379SS..THydrogen-bonded Turntrans-59.7-23.6172.869.6-179.7175.958.50112.8T53 W139 T221 D222K51-T53 PolarHBondContact O-N 3.17Å; K51-W139 HydrophobicContact CB-CB 4.41Å; K51-W139 HydrophobicContact CB-CD2 3.87Å; K51-W139 HydrophobicContact CB-CE3 4.21Å; K51-W139 HydrophobicContact CB-CG 3.96Å; K51-W139 HydrophobicContact CD-CD2 4.01Å; K51-W139 VanDerWaalsContact CD-CE2 3.48Å; K51-W139 HydrophobicContact CD-CG 4.15Å; K51-W139 HydrophobicContact CD-CZ2 3.91Å; K51-W139 VanDerWaalsContact CD-NE1 3.32Å; K51-T221 HydrophobicContact CB-CG2 4.1Å; K51-D222 HydrophobicContact CD-CB 4.05Å; K51-D222 HydrophobicContact CG-CB 4.28Å; K51-D222 WeakPolarHBondContact CG-OD2 3.44Å; K51-D222 PolarHBondContact N-OD2 2.81Å
52D92.9Very high88.4Confident125 Ų12578 Ų7867%0.66842%0.423SS*.THydrogen-bonded Turntrans-81.6-7.3-177.4-62.7-38.2000112.2S50S50-D52 PolarHBondContact O-N 3.16Å; S50-D52 PolarHBondContact OG-N 3.11Å
53T93.1Very high87.8Confident75 Ų7574.9 Ų74.946%0.4642%0.421SS..SBendtrans-117.5144.3171.951.50000109.6S50 K51 W183S50-T53 PolarHBondContact O-N 2.93Å; S50-T53 PolarHBondContact O-OG1 3.32Å; K51-T53 PolarHBondContact O-N 3.17Å; T53-W183 PolarHBondContact O-NE1 3.41Å
54P90.9Very high87.1Confident109 Ų10977.1 Ų77.171%0.70844%0.438SS*.PPolyproline II helixtrans-54.1148.9174.1-24.734.3000112
55P90.5Very high86.3Confident7 Ų777.7 Ų77.75%0.04544%0.442CS..PPolyproline II helixtrans-53.5144.7169.7-21.832.9000110.4E141 W183P55-E141 HydrophobicContact CB-CG 4.02Å; P55-E141 HydrophobicContact CG-CG 4.15Å; P55-W183 HydrophobicContact CB-CZ2 4.36Å; P55-W183 HydrophobicContact CG-CD2 4.07Å; P55-W183 HydrophobicContact CG-CG 4.1Å; P55-W183 HydrophobicContact CG-CZ2 4.36Å
56P87.2Confident85.5Confident42 Ų4284.9 Ų84.927%0.27348%0.479SS..PPolyproline II helixtrans-71.3143.4176.832.6-36.7000110F49 H181 R219F49-P56 HydrophobicContact CD1-CG 4.11Å; F49-P56 HydrophobicContact CE1-CB 4.26Å; F49-P56 HydrophobicContact CE1-CG 3.46Å; F49-P56 VanDerWaalsContact CE1-CG 3.46Å; F49-P56 HydrophobicContact CE2-CG 4.2Å; F49-P56 HydrophobicContact CZ-CG 3.52Å; P56-H181 PolarHBondContact O-CE1 3.32Å; P56-R219 PolarHBondContact O-NH1 3.2Å
57E86.1Confident84.9Confident142 Ų14287.5 Ų87.566%0.66451%0.506SS*.PPolyproline II helixtrans-53.4139.6175.2-68.2-66.5164.400110.6E59E57-E59 PolarHBondContact O-N 2.83Å
58P77.2Confident84.6Confident39 Ų3991.1 Ų91.125%0.25353%0.532SS..PPolyproline II helixtrans-60.8121.1173.9-21.933.2000110.7Y60P58-Y60 HydrophobicContact CB-CD2 4.47Å; P58-Y60 HydrophobicContact CB-CE2 3.69Å; P58-Y60 WeakPolarHBondContact O-CD2 3.4Å
59E74.3Confident84.4Confident185 Ų18590.9 Ų90.986%0.86452%0.519SS*.PPolyproline II helixtrans-84.1121.2170.5-67.3-176.1-174.500108.7E57E57-E59 PolarHBondContact O-N 2.83Å
60Y76.3Confident84.2Confident156 Ų15692.5 Ų92.561%0.61252%0.523SS*.  trans-104.6120.8175.1-61.5-82.4000108.6P58 F216P58-Y60 HydrophobicContact CB-CD2 4.47Å; P58-Y60 HydrophobicContact CB-CE2 3.69Å; P58-Y60 WeakPolarHBondContact O-CD2 3.4Å; Y60-F216 HydrophobicContact CE1-CE1 4.02Å
61P75.3Confident83.9Confident69 Ų6993 Ų9345%0.44852%0.521SS..  trans-70.4147.4178.630.8-34.5000110.8A63 D214P61-A63 WeakPolarHBondContact CB-O 3.41Å; P61-A63 WeakPolarHBondContact CG-O 3.41Å; P61-A63 PolarHBondContact O-N 3.49Å; P61-D214 WeakPolarHBondContact CD-OD2 3.04Å; P61-D214 WeakPolarHBondContact CG-OD2 3.31Å
62D81.8Confident83.7Confident182 Ų18293.6 Ų93.697%0.97353%0.525SS*.SBendtrans-62.5-22.2177.7-70.5-40.1000112.9
63A82.8Confident83.6Confident63 Ų6388 Ų8852%0.52150%0.496SS..SBendtrans-137.6152.9177.100000110.2P61P61-A63 WeakPolarHBondContact CB-O 3.41Å; P61-A63 WeakPolarHBondContact CG-O 3.41Å; P61-A63 PolarHBondContact O-N 3.49Å
64P80.9Confident83.4Confident93 Ų9390.9 Ų90.960%0.60450%0.504SS*.PPolyproline II helixtrans-54.4145.5173-24.134000111.4D66P64-D66 PolarHBondContact O-N 3.01Å
65P79.6Confident83.4Confident52 Ų5287.7 Ų87.734%0.33849%0.491SS..PPolyproline II helixtrans-61.9134.5179.824.8-32000111N213P65-N213 VanDerWaalsContact CD-O 3.32Å; P65-N213 WeakPolarHBondContact CD-O 3.23Å
66D77Confident83.6Confident173 Ų17392 Ų9293%0.92551%0.513SS*.SBendtrans-69132.2171.2-75.7-43.8000110.2P64P64-D66 PolarHBondContact O-N 3.01Å
67G80.3Confident83.9Confident61 Ų6190.9 Ų90.963%0.62951%0.505SS*.SBendtrans113.8-168.9173.200000114.6
68P84.6Confident84.3Confident112 Ų11288.5 Ų88.573%0.72751%0.509SS*.SBendtrans-71.9157.2-177.730.3-34.7000111.9R70P68-R70 PolarHBondContact O-N 3.49Å
69P84.9Confident85.1Confident60 Ų6089.2 Ų89.239%0.3952%0.515SS..PPolyproline II helixtrans-49.3135.9171.3-3137.8000113.4F71 F211P69-F71 HydrophobicContact CB-CE1 4.36Å; P69-F71 HydrophobicContact CB-CE2 3.72Å; P69-F71 HydrophobicContact CB-CZ 3.54Å; P69-F211 HydrophobicContact CB-CD1 3.53Å; P69-F211 HydrophobicContact CB-CD2 4.21Å; P69-F211 HydrophobicContact CB-CE1 3.6Å; P69-F211 HydrophobicContact CB-CE2 4.27Å; P69-F211 HydrophobicContact CB-CG 3.86Å; P69-F211 HydrophobicContact CB-CZ 3.98Å; P69-F211 HydrophobicContact CG-CD1 3.97Å; P69-F211 HydrophobicContact CG-CE1 3.66Å; P69-F211 HydrophobicContact CG-CZ 4.21Å
70R87.8Confident86.2Confident93 Ų9381.1 Ų81.135%0.35148%0.476SS..PPolyproline II helixtrans-92.7141.9174.8-65.4175.456.7163.96109.8P68 E74 F211 F215P68-R70 PolarHBondContact O-N 3.49Å; R70-E74 IonicContact CZ-OE1 3.65Å; R70-E74 IonicContact NH1-OE1 3.84Å; R70-E74 PolarHBondContact NH1-OE1 3.06Å; R70-E74 IonicContact NH2-OE1 3.92Å; R70-E74 PolarHBondContact NH2-OE1 3.49Å; R70-F211 HydrophobicContact CB-CD2 4.47Å; R70-F215 HydrophobicContact CB-CB 3.99Å; R70-F215 HydrophobicContact CB-CD1 4.28Å; R70-F215 HydrophobicContact CB-CD2 3.91Å; R70-F215 HydrophobicContact CB-CE2 4.48Å; R70-F215 HydrophobicContact CB-CG 3.78Å; R70-F215 WeakPolarHBondContact O-CD2 3.38Å; R70-F215 VanDerWaalsContact O-CE2 3.31Å; R70-F215 WeakPolarHBondContact O-CE2 3.49Å
71F87Confident87.2Confident42 Ų4277.8 Ų77.818%0.18447%0.473CS..  trans-130.5-5.4177.7-58.8-71.7000113.2P69 T84 V86 Q105 S107 N209 F211P69-F71 HydrophobicContact CB-CE1 4.36Å; P69-F71 HydrophobicContact CB-CE2 3.72Å; P69-F71 HydrophobicContact CB-CZ 3.54Å; F71-T84 HydrophobicContact CB-CG2 3.64Å; F71-V86 HydrophobicContact CB-CG2 4.32Å; F71-V86 HydrophobicContact CD1-CG1 4.34Å; F71-V86 HydrophobicContact CD1-CG2 3.97Å; F71-V86 HydrophobicContact CD2-CG2 3.91Å; F71-V86 HydrophobicContact CE1-CG1 3.98Å; F71-V86 HydrophobicContact CE1-CG2 4.26Å; F71-V86 HydrophobicContact CE2-CG2 4.19Å; F71-V86 HydrophobicContact CG-CG2 3.78Å; F71-V86 HydrophobicContact CZ-CG1 4.22Å; F71-V86 HydrophobicContact CZ-CG2 4.35Å; F71-Q105 HydrophobicContact CE1-CB 4.3Å; F71-Q105 HydrophobicContact CE1-CG 3.9Å; F71-Q105 HydrophobicContact CZ-CG 4.43Å; F71-Q105 VanDerWaalsContact CZ-OE1 3.3Å; F71-S107 PolarHBondContact O-OG 3.02Å; F71-N209 PolarHBondContact O-ND2 3.23Å; F71-F211 HydrophobicContact CE1-CB 4.29Å
72Q87.9Confident88.3Confident85 Ų8577 Ų7740%0.39747%0.466SS..SBendtrans-122.2133.4-177.9172.5170.9-1.500109.8F109 F215Q72-F109 HydrophobicContact CB-CD2 4.38Å; Q72-F109 HydrophobicContact CB-CE2 4.29Å; Q72-F109 HydrophobicContact CG-CD2 4.08Å; Q72-F109 HydrophobicContact CG-CE2 3.55Å; Q72-F109 HydrophobicContact CG-CZ 3.91Å; Q72-F215 WeakPolarHBondContact O-CE1 3.33Å
73P89.7Confident89Confident8 Ų875 Ų755%0.05245%0.449CS..  trans-66.7155.6172.328.8-34.9000112.4F77 F109 F215 P217P73-F77 HydrophobicContact CG-CE2 4.47Å; P73-F77 HydrophobicContact CG-CZ 4.01Å; P73-F77 WeakPolarHBondContact O-CE2 3.47Å; P73-F109 HydrophobicContact CG-CD1 3.52Å; P73-F109 HydrophobicContact CG-CE1 3.6Å; P73-F109 HydrophobicContact CG-CG 4.2Å; P73-F109 HydrophobicContact CG-CZ 4.36Å; P73-F215 HydrophobicContact CB-CE1 4.46Å; P73-P217 HydrophobicContact CB-CB 4.1Å
74E89.9Confident89.7Confident136 Ų13674.5 Ų74.564%0.63644%0.44SS*.  trans-77.3148.3167.6-84.8164.4-133.400110.9R70R70-E74 IonicContact CZ-OE1 3.65Å; R70-E74 IonicContact NH1-OE1 3.84Å; R70-E74 PolarHBondContact NH1-OE1 3.06Å; R70-E74 IonicContact NH2-OE1 3.92Å; R70-E74 PolarHBondContact NH2-OE1 3.49Å
75G90.6Very high90.4Very high41 Ų4174 Ų7442%0.42343%0.429SS..SBendtrans156.8165.9-178.800000111.7P46 F77P46-G75 CarbonylContact O-C 3.55Å; P46-G75 WeakPolarHBondContact O-CA 3.36Å; G75-F77 WeakPolarHBondContact O-CD2 3.5Å; G75-F77 PolarHBondContact O-N 3Å
76D94.2Very high91.1Very high97 Ų9774.8 Ų74.852%0.51943%0.433SS..  trans-87.596.7170.817712000109.6N43 P46 A78N43-D76 PolarHBondContact ND2-O 2.99Å; P46-D76 WeakPolarHBondContact CB-O 3.4Å; P46-D76 PolarHBondContact O-N 3.34Å; D76-A78 VanDerWaalsContact OD1-CB 3.25Å; D76-A78 WeakPolarHBondContact OD1-CB 3.26Å; D76-A78 PolarHBondContact OD1-N 2.98Å
77F94.5Very high91.9Very high20 Ų2068 Ų689%0.08840%0.397CS..  trans-97.516.8178.5-55.2-72.4000113.5P46 I47 P73 G75 S79 W80 T82 F109 L111 F220P46-F77 HydrophobicContact CB-CD1 3.65Å; P46-F77 HydrophobicContact CB-CE1 3.79Å; P46-F77 HydrophobicContact CG-CD1 3.7Å; P46-F77 HydrophobicContact CG-CE1 3.58Å; I47-F77 HydrophobicContact CG1-CE1 4.29Å; I47-F77 HydrophobicContact CG1-CZ 4.15Å; P73-F77 HydrophobicContact CG-CE2 4.47Å; P73-F77 HydrophobicContact CG-CZ 4.01Å; P73-F77 WeakPolarHBondContact O-CE2 3.47Å; G75-F77 WeakPolarHBondContact O-CD2 3.5Å; G75-F77 PolarHBondContact O-N 3Å; F77-S79 PolarHBondContact O-N 3.04Å; F77-W80 HydrophobicContact CB-CB 4.45Å; F77-W80 PolarHBondContact O-N 3.37Å; F77-W80 VanDerWaalsContact O-O 3.09Å; F77-T82 HydrophobicContact CB-CG2 3.77Å; F77-T82 HydrophobicContact CG-CG2 4.17Å; F77-F109 HydrophobicContact CD1-CE1 4.38Å; F77-F109 HydrophobicContact CD2-CZ 4.28Å; F77-F109 AromaticContact CE1-CE1 3.99Å; F77-F109 HydrophobicContact CE1-CE1 3.99Å; F77-F109 HydrophobicContact CE1-CZ 4.47Å; F77-F109 HydrophobicContact CE2-CE1 4.3Å; F77-F109 HydrophobicContact CE2-CZ 4.23Å; F77-F109 HydrophobicContact CG-CZ 4.42Å; F77-F109 AromaticContact CZ-CE1 3.94Å; F77-F109 HydrophobicContact CZ-CE1 3.94Å; F77-F109 HydrophobicContact CZ-CZ 4.33Å; F77-L111 HydrophobicContact CD1-CD2 3.36Å; F77-L111 HydrophobicContact CE1-CD2 3.61Å; F77-L111 HydrophobicContact CG-CD2 4.41Å; F77-F220 HydrophobicContact CE1-CE1 4.22Å; F77-F220 HydrophobicContact CE1-CZ 4.34Å
78A94.3Very high92.5Very high91 Ų9170.5 Ų70.575%0.75240%0.401SS*.THydrogen-bonded Turntrans-60.3-24.1-171.700000114.6D76D76-A78 VanDerWaalsContact OD1-CB 3.25Å; D76-A78 WeakPolarHBondContact OD1-CB 3.26Å; D76-A78 PolarHBondContact OD1-N 2.98Å
79S94.5Very high92.8Very high54 Ų5471.2 Ų71.238%0.37839%0.39SS..THydrogen-bonded Turntrans-89-1176.2-61.40000114.1F77 Q113F77-S79 PolarHBondContact O-N 3.04Å; S79-Q113 VanDerWaalsContact O-CD 3.31Å; S79-Q113 VanDerWaalsContact O-CG 3.28Å; S79-Q113 WeakPolarHBondContact O-CG 3.44Å; S79-Q113 PolarHBondContact O-OE1 2.84Å
80W96.7Very high93Very high15 Ų1572.3 Ų72.36%0.05739%0.393CS..SBendtrans-116.9143.6-175.3-65.991000110.4L41 N43 F77 T82 L111 Q113 F203L41-W80 HydrophobicContact CD1-CH2 4.11Å; N43-W80 PolarHBondContact O-NE1 3.33Å; F77-W80 HydrophobicContact CB-CB 4.45Å; F77-W80 PolarHBondContact O-N 3.37Å; F77-W80 VanDerWaalsContact O-O 3.09Å; W80-T82 HydrophobicContact CB-CG2 4.1Å; W80-L111 HydrophobicContact CB-CB 4.44Å; W80-L111 HydrophobicContact CB-CD2 4.22Å; W80-L111 HydrophobicContact CD2-CB 4.16Å; W80-L111 HydrophobicContact CD2-CD2 4.17Å; W80-L111 HydrophobicContact CE3-CB 3.71Å; W80-L111 HydrophobicContact CG-CD2 4.04Å; W80-L111 HydrophobicContact CZ3-CB 4.29Å; W80-Q113 HydrophobicContact CD2-CG 3.96Å; W80-Q113 HydrophobicContact CE3-CB 4.09Å; W80-Q113 HydrophobicContact CE3-CG 3.61Å; W80-Q113 VanDerWaalsContact CH2-NE2 3.28Å; W80-Q113 HydrophobicContact CZ3-CB 4Å; W80-Q113 HydrophobicContact CZ3-CG 3.96Å; W80-F203 AromaticContact CH2-CD1 3.98Å; W80-F203 HydrophobicContact CH2-CD1 3.98Å; W80-F203 AromaticContact CH2-CE1 3.98Å; W80-F203 HydrophobicContact CH2-CE1 3.98Å; W80-F203 AromaticContact CZ3-CD1 3.87Å; W80-F203 HydrophobicContact CZ3-CD1 3.87Å; W80-F203 HydrophobicContact CZ3-CE1 4.17Å
81T97.7Very high93Very high87 Ų8772.2 Ų72.253%0.53440%0.403SS..EExtended strand (participates in β ladder)trans-85.6124.7162-600000107.5L111 E112T81-L111 WeakPolarHBondContact O-CA 3.23Å; T81-E112 HydrophobicContact CG2-CG 4.05Å; T81-E112 VanDerWaalsContact CG2-OE1 3.28Å; T81-E112 WeakPolarHBondContact CG2-OE1 3.41Å; T81-E112 PolarHBondContact N-O 3.04Å; T81-E112 PolarHBondContact O-N 3.12Å
82T96.9Very high93Very high51 Ų5174.3 Ų74.331%0.31342%0.423SS..EExtended strand (participates in β ladder)trans-117.7148-174.462.90000111.7F77 W80 F109 T110 L111F77-T82 HydrophobicContact CB-CG2 3.77Å; F77-T82 HydrophobicContact CG-CG2 4.17Å; W80-T82 HydrophobicContact CB-CG2 4.1Å; T82-F109 HydrophobicContact CG2-CE1 4.5Å; T82-F109 HydrophobicContact CG2-CE2 4.26Å; T82-F109 HydrophobicContact CG2-CZ 3.71Å; T82-T110 CarbonylContact C-O 3.6Å; T82-T110 WeakPolarHBondContact CA-O 3.4Å; T82-L111 HydrophobicContact CG2-CD2 4.27Å; T82-L111 HydrophobicContact CG2-CG 4.16Å
83K97.3Very high93Very high141 Ų14174.2 Ų74.261%0.61344%0.444SS*.EExtended strand (participates in β ladder)trans-145.4131.2176.6179.6-178.5174.7-173.60110.6T110K83-T110 PolarHBondContact N-O 3.3Å; K83-T110 PolarHBondContact O-N 3.22Å
84T96.7Very high92.9Very high53 Ų5376.5 Ų76.533%0.32546%0.456SS..EExtended strand (participates in β ladder)trans-105.2132.2174-530000110.1F71 W108 F109F71-T84 HydrophobicContact CB-CG2 3.64Å; T84-W108 CarbonylContact C-O 3.59Å; T84-W108 WeakPolarHBondContact CA-O 3.21Å; T84-F109 WeakPolarHBondContact OG1-CD2 3.41Å
85E96.4Very high93Very high83 Ų8374.6 Ų74.639%0.38846%0.455SS..EExtended strand (participates in β ladder)trans-124.7110.3174.9178-173.4-176.200108.4L87 S107 W108 R206E85-L87 HydrophobicContact CG-CD2 4.43Å; E85-S107 CarbonylContact O-C 3.45Å; E85-S107 WeakPolarHBondContact O-CA 2.91Å; E85-S107 WeakPolarHBondContact O-CB 3.46Å; E85-W108 HydrophobicContact CB-CB 4.33Å; E85-W108 PolarHBondContact N-O 3.43Å; E85-W108 PolarHBondContact O-N 3.31Å; E85-R206 IonicContact OE2-NH2 3.42Å; E85-R206 PolarHBondContact OE2-NH2 3.44Å
86V95.3Very high93Very high67 Ų6782.3 Ų82.341%0.40648%0.48SS..EExtended strand (participates in β ladder)trans-79.6126.6175.4-176.20000108.7F71 Q105F71-V86 HydrophobicContact CB-CG2 4.32Å; F71-V86 HydrophobicContact CD1-CG1 4.34Å; F71-V86 HydrophobicContact CD1-CG2 3.97Å; F71-V86 HydrophobicContact CD2-CG2 3.91Å; F71-V86 HydrophobicContact CE1-CG1 3.98Å; F71-V86 HydrophobicContact CE1-CG2 4.26Å; F71-V86 HydrophobicContact CE2-CG2 4.19Å; F71-V86 HydrophobicContact CG-CG2 3.78Å; F71-V86 HydrophobicContact CZ-CG1 4.22Å; F71-V86 HydrophobicContact CZ-CG2 4.35Å; V86-Q105 HydrophobicContact CG1-CG 3.9Å
87L93.6Very high92.7Very high32 Ų3281.4 Ų81.417%0.16849%0.494CS..PPolyproline II helixtrans-85.1150-179.3-61.9179.7000110.5E85 Y106E85-L87 HydrophobicContact CG-CD2 4.43Å; L87-Y106 WeakPolarHBondContact CB-O 3.08Å; L87-Y106 PolarHBondContact N-O 2.89Å
88P92.7Very high92.5Very high112 Ų11282.9 Ų82.973%0.72751%0.51SS*.PPolyproline II helixtrans-61.1154.3170.328.3-34.8000110.2D90P88-D90 PolarHBondContact O-N 2.99Å
89Y90.9Very high92.1Very high127 Ų12784.9 Ų84.950%0.49851%0.513SS..PPolyproline II helixtrans-58.9132.3172.4-71.4-71.8000110.4T91 L103 Q105Y89-T91 PolarHBondContact O-N 3.32Å; Y89-L103 HydrophobicContact CD1-CB 3.79Å; Y89-L103 HydrophobicContact CE1-CB 4.25Å; Y89-Q105 HydrophobicContact CD1-CB 4.43Å; Y89-Q105 HydrophobicContact CE1-CB 3.72Å; Y89-Q105 HydrophobicContact CE1-CG 4.14Å
90D88.3Confident91.7Very high83 Ų8385.9 Ų85.944%0.44452%0.516SS..  trans-83.5107.3170-171.2-0.1000108.9P88 S92P88-D90 PolarHBondContact O-N 2.99Å; D90-S92 VanDerWaalsContact CG-OG 3.32Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 3.04Å; D90-S92 PolarHBondContact OD1-OG 3.46Å; D90-S92 PolarHBondContact OD2-OG 3.43Å
91T88.4Confident91Very high91 Ų9191.4 Ų91.456%0.55856%0.556SS**  trans-101.310.217464.20000112.1Y89 I94 L103Y89-T91 PolarHBondContact O-N 3.32Å; T91-I94 HydrophobicContact CG2-CD1 4.29Å; T91-I94 WeakPolarHBondContact O-CB 3.49Å; T91-I94 PolarHBondContact O-N 3.2Å; T91-L103 HydrophobicContact CG2-CD1 4Å
92S87.5Confident90.3Very high86 Ų8689.5 Ų89.560%0.60155%0.553SS**THydrogen-bonded Turntrans-62.7141.6176.4720000110.4D90 I94D90-S92 VanDerWaalsContact CG-OG 3.32Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 3.04Å; D90-S92 PolarHBondContact OD1-OG 3.46Å; D90-S92 PolarHBondContact OD2-OG 3.43Å; S92-I94 PolarHBondContact O-N 3.31Å
93G86.1Confident89.9Confident83 Ų8389 Ų8986%0.85655%0.549SS*.THydrogen-bonded Turntrans75-2.8-177.500000115.6P95G93-P95 WeakPolarHBondContact O-CD 3.35Å
94I88.9Confident89.5Confident56 Ų5684.3 Ų84.329%0.28753%0.532SS..PPolyproline II helixtrans-79.6121.6172.7-56.2-178.8000109.2T91 S92 A98 V100 L103T91-I94 HydrophobicContact CG2-CD1 4.29Å; T91-I94 WeakPolarHBondContact O-CB 3.49Å; T91-I94 PolarHBondContact O-N 3.2Å; S92-I94 PolarHBondContact O-N 3.31Å; I94-A98 HydrophobicContact CG2-CB 3.89Å; I94-V100 HydrophobicContact CD1-CG2 3.98Å; I94-V100 HydrophobicContact CG2-CG2 4.02Å; I94-L103 HydrophobicContact CD1-CD1 3.78Å; I94-L103 HydrophobicContact CD1-CD2 3.84Å; I94-L103 HydrophobicContact CD1-CG 4.4Å
95P91.1Very high89.3Confident97 Ų9783.5 Ų83.563%0.6353%0.525SS*.PPolyproline II helixtrans-63147177.9-22.333.9000112.8G93 G97 A98G93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-G97 PolarHBondContact O-N 2.96Å; P95-A98 VanDerWaalsContact O-CB 3.28Å; P95-A98 WeakPolarHBondContact O-CB 3.34Å; P95-A98 PolarHBondContact O-N 3.45Å
96E90.1Very high89.2Confident203 Ų20381.4 Ų81.495%0.94951%0.513SS*.THydrogen-bonded Turntrans-59.5133174.4-168.8177-179.600110.8A98E96-A98 VanDerWaalsContact C-N 3.34Å
97G88.7Confident89.2Confident78 Ų7878.2 Ų78.280%0.80449%0.494SS*.THydrogen-bonded Turntrans83.3-1-177.900000115.5P95P95-G97 PolarHBondContact O-N 2.96Å
98A89.7Confident89.4Confident51 Ų5177.2 Ų77.242%0.42149%0.488SS..  trans-68.1137.5172.900000111.6I94 P95 E96I94-A98 HydrophobicContact CG2-CB 3.89Å; P95-A98 VanDerWaalsContact O-CB 3.28Å; P95-A98 WeakPolarHBondContact O-CB 3.34Å; P95-A98 PolarHBondContact O-N 3.45Å; E96-A98 VanDerWaalsContact C-N 3.34Å
99V87.4Confident89.6Confident133 Ų13371.9 Ų71.981%0.80645%0.454SS*.  trans-83117.8171.6179.20000108.6
100V85Confident89.9Confident75 Ų7566.5 Ų66.546%0.45543%0.434SS..  trans-93.3107.6179-179.90000109.3I94 L103I94-V100 HydrophobicContact CD1-CG2 3.98Å; I94-V100 HydrophobicContact CG2-CG2 4.02Å; V100-L103 HydrophobicContact CG1-CD1 3.76Å; V100-L103 HydrophobicContact CG1-CD2 4.06Å; V100-L103 HydrophobicContact CG1-CG 3.5Å
101C81.6Confident90.3Very high131 Ų13162.6 Ų62.689%0.88541%0.413SS*.SBendtrans-81.5-21.2178.6-60.30000113.2
102G84Confident90.8Very high47 Ų4761.1 Ų61.149%0.48540%0.4SS..  trans177.8145.9177.600000111.2
103L88.7Confident91.3Very high41 Ų4158 Ų5822%0.21538%0.376CS..  trans-132.6143.7174.6-69.1172.6000109.4Y89 T91 I94 V100 Q105 L212Y89-L103 HydrophobicContact CD1-CB 3.79Å; Y89-L103 HydrophobicContact CE1-CB 4.25Å; T91-L103 HydrophobicContact CG2-CD1 4Å; I94-L103 HydrophobicContact CD1-CD1 3.78Å; I94-L103 HydrophobicContact CD1-CD2 3.84Å; I94-L103 HydrophobicContact CD1-CG 4.4Å; V100-L103 HydrophobicContact CG1-CD1 3.76Å; V100-L103 HydrophobicContact CG1-CD2 4.06Å; V100-L103 HydrophobicContact CG1-CG 3.5Å; L103-Q105 PolarHBondContact O-N 3.49Å; L103-L212 WeakPolarHBondContact O-CD1 3.37Å
104P89.2Confident91.9Very high41 Ų4157.7 Ų57.727%0.26636%0.357SS..  trans-61.1130.8171.626.8-32.9000109.3Y106 S210P104-Y106 HydrophobicContact CB-CE2 4.25Å; P104-Y106 HydrophobicContact CG-CE2 3.99Å; P104-S210 WeakPolarHBondContact CB-OG 3.39Å
105Q92.3Very high92.3Very high36 Ų3655.3 Ų55.317%0.16835%0.345CS..EExtended strand (participates in β ladder)trans-96.3114.6170.7-168.5168.323.900108.7F71 V86 Y89 L103 F211F71-Q105 HydrophobicContact CE1-CB 4.3Å; F71-Q105 HydrophobicContact CE1-CG 3.9Å; F71-Q105 HydrophobicContact CZ-CG 4.43Å; F71-Q105 VanDerWaalsContact CZ-OE1 3.3Å; V86-Q105 HydrophobicContact CG1-CG 3.9Å; Y89-Q105 HydrophobicContact CD1-CB 4.43Å; Y89-Q105 HydrophobicContact CE1-CB 3.72Å; Y89-Q105 HydrophobicContact CE1-CG 4.14Å; L103-Q105 PolarHBondContact O-N 3.49Å; Q105-F211 PolarHBondContact N-O 2.91Å; Q105-F211 PolarHBondContact O-N 3.29Å
106Y94.1Very high92.6Very high39 Ų3953 Ų5315%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-87.1154.7178.8-63.9-73.5000111.7L87 P104 L145 H146 K208 N209L87-Y106 WeakPolarHBondContact CB-O 3.08Å; L87-Y106 PolarHBondContact N-O 2.89Å; P104-Y106 HydrophobicContact CB-CE2 4.25Å; P104-Y106 HydrophobicContact CG-CE2 3.99Å; Y106-L145 HydrophobicContact CD1-CD2 3.72Å; Y106-L145 HydrophobicContact CE1-CD2 3.54Å; Y106-L145 HydrophobicContact CE1-CG 4.22Å; Y106-L145 PolarHBondContact OH-O 2.85Å; Y106-H146 AromaticContact CZ-CD2 3.82Å; Y106-K208 HydrophobicContact CD1-CG 4.49Å; Y106-N209 CarbonylContact C-O 3.59Å; Y106-N209 VanDerWaalsContact CA-O 3.27Å; Y106-N209 WeakPolarHBondContact CA-O 3.39Å
107S95.5Very high92.9Very high0 Ų043.3 Ų43.30%028%0.282CS..EExtended strand (participates in β ladder)trans-145.5146.6171.259.50000111.2F71 E85 K208 N209F71-S107 PolarHBondContact O-OG 3.02Å; E85-S107 CarbonylContact O-C 3.45Å; E85-S107 WeakPolarHBondContact O-CA 2.91Å; E85-S107 WeakPolarHBondContact O-CB 3.46Å; S107-K208 WeakPolarHBondContact O-CA 3.49Å; S107-N209 PolarHBondContact N-O 2.91Å; S107-N209 PolarHBondContact O-N 2.84Å
108W96.8Very high93.2Very high12 Ų1244.5 Ų44.55%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-91.4127.2165.5-74.3113.5000110.3T84 E85 Y148 E151 R206 L207 K208T84-W108 CarbonylContact C-O 3.59Å; T84-W108 WeakPolarHBondContact CA-O 3.21Å; E85-W108 HydrophobicContact CB-CB 4.33Å; E85-W108 PolarHBondContact N-O 3.43Å; E85-W108 PolarHBondContact O-N 3.31Å; W108-Y148 AromaticContact CH2-CD2 3.97Å; W108-Y148 HydrophobicContact CH2-CD2 3.97Å; W108-Y148 HydrophobicContact CH2-CE2 4.49Å; W108-Y148 AromaticContact CZ2-CD2 3.64Å; W108-Y148 HydrophobicContact CZ2-CD2 3.64Å; W108-Y148 AromaticContact CZ2-CE2 3.73Å; W108-Y148 HydrophobicContact CZ2-CE2 3.73Å; W108-E151 HydrophobicContact CH2-CG 3.84Å; W108-E151 HydrophobicContact CZ2-CG 4.37Å; W108-E151 HydrophobicContact CZ3-CG 4.3Å; W108-R206 VanDerWaalsContact CD1-NH2 3.27Å; W108-R206 HydrophobicContact CD2-CB 4.38Å; W108-R206 HydrophobicContact CE3-CB 3.63Å; W108-R206 HydrophobicContact CZ3-CB 4Å; W108-L207 WeakPolarHBondContact CA-O 3.38Å; W108-K208 HydrophobicContact CD2-CB 4.41Å; W108-K208 HydrophobicContact CD2-CG 4.45Å; W108-K208 HydrophobicContact CE3-CB 3.92Å; W108-K208 HydrophobicContact CE3-CG 4.44Å; W108-K208 HydrophobicContact CH2-CB 3.85Å; W108-K208 HydrophobicContact CH2-CD 4.24Å; W108-K208 HydrophobicContact CH2-CG 4.34Å; W108-K208 HydrophobicContact CZ2-CB 4.35Å; W108-K208 HydrophobicContact CZ2-CD 4.06Å; W108-K208 HydrophobicContact CZ2-CG 4.36Å; W108-K208 HydrophobicContact CZ3-CB 3.61Å; W108-K208 HydrophobicContact CZ3-CG 4.39Å; W108-K208 VanDerWaalsContact CZ3-N 3.35Å
109F97.1Very high93.4Very high0 Ų045.8 Ų45.80%028%0.276CS..EExtended strand (participates in β ladder)trans-104.7116.2165.8-174.6-118000109Q72 P73 F77 T82 T84 L111 R206 L207 N209Q72-F109 HydrophobicContact CB-CD2 4.38Å; Q72-F109 HydrophobicContact CB-CE2 4.29Å; Q72-F109 HydrophobicContact CG-CD2 4.08Å; Q72-F109 HydrophobicContact CG-CE2 3.55Å; Q72-F109 HydrophobicContact CG-CZ 3.91Å; P73-F109 HydrophobicContact CG-CD1 3.52Å; P73-F109 HydrophobicContact CG-CE1 3.6Å; P73-F109 HydrophobicContact CG-CG 4.2Å; P73-F109 HydrophobicContact CG-CZ 4.36Å; F77-F109 HydrophobicContact CD1-CE1 4.38Å; F77-F109 HydrophobicContact CD2-CZ 4.28Å; F77-F109 AromaticContact CE1-CE1 3.99Å; F77-F109 HydrophobicContact CE1-CE1 3.99Å; F77-F109 HydrophobicContact CE1-CZ 4.47Å; F77-F109 HydrophobicContact CE2-CE1 4.3Å; F77-F109 HydrophobicContact CE2-CZ 4.23Å; F77-F109 HydrophobicContact CG-CZ 4.42Å; F77-F109 AromaticContact CZ-CE1 3.94Å; F77-F109 HydrophobicContact CZ-CE1 3.94Å; F77-F109 HydrophobicContact CZ-CZ 4.33Å; T82-F109 HydrophobicContact CG2-CE1 4.5Å; T82-F109 HydrophobicContact CG2-CE2 4.26Å; T82-F109 HydrophobicContact CG2-CZ 3.71Å; T84-F109 WeakPolarHBondContact OG1-CD2 3.41Å; F109-L111 HydrophobicContact CD1-CD1 3.57Å; F109-L111 HydrophobicContact CD1-CG 4.21Å; F109-L111 HydrophobicContact CE1-CD1 3.57Å; F109-L111 HydrophobicContact CE1-CD2 4.03Å; F109-L111 HydrophobicContact CE1-CG 3.75Å; F109-L111 HydrophobicContact CZ-CG 4.36Å; F109-R206 CarbonylContact O-C 3.6Å; F109-R206 WeakPolarHBondContact O-CA 3.26Å; F109-L207 HydrophobicContact CD1-CD1 4.43Å; F109-L207 PolarHBondContact N-O 2.73Å; F109-L207 PolarHBondContact O-N 3Å; F109-N209 WeakPolarHBondContact CB-ND2 3.3Å
110T97.6Very high93.8Very high14 Ų1441.2 Ų41.29%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-102136.4-178-530000109.1T82 K83 Q204 H205 R206T82-T110 CarbonylContact C-O 3.6Å; T82-T110 WeakPolarHBondContact CA-O 3.4Å; K83-T110 PolarHBondContact N-O 3.3Å; K83-T110 PolarHBondContact O-N 3.22Å; T110-Q204 HydrophobicContact CG2-CG 3.62Å; T110-H205 WeakPolarHBondContact CA-O 3.24Å; T110-R206 HydrophobicContact CG2-CG 3.98Å
111L97.4Very high94.2Very high0 Ų038.2 Ų38.20%023%0.23CC..EExtended strand (participates in β ladder)trans-125136167.1-50.988.7000109.7F77 W80 T81 T82 F109 Q204 H205 L207 F220F77-L111 HydrophobicContact CD1-CD2 3.36Å; F77-L111 HydrophobicContact CE1-CD2 3.61Å; F77-L111 HydrophobicContact CG-CD2 4.41Å; W80-L111 HydrophobicContact CB-CB 4.44Å; W80-L111 HydrophobicContact CB-CD2 4.22Å; W80-L111 HydrophobicContact CD2-CB 4.16Å; W80-L111 HydrophobicContact CD2-CD2 4.17Å; W80-L111 HydrophobicContact CE3-CB 3.71Å; W80-L111 HydrophobicContact CG-CD2 4.04Å; W80-L111 HydrophobicContact CZ3-CB 4.29Å; T81-L111 WeakPolarHBondContact O-CA 3.23Å; T82-L111 HydrophobicContact CG2-CD2 4.27Å; T82-L111 HydrophobicContact CG2-CG 4.16Å; F109-L111 HydrophobicContact CD1-CD1 3.57Å; F109-L111 HydrophobicContact CD1-CG 4.21Å; F109-L111 HydrophobicContact CE1-CD1 3.57Å; F109-L111 HydrophobicContact CE1-CD2 4.03Å; F109-L111 HydrophobicContact CE1-CG 3.75Å; F109-L111 HydrophobicContact CZ-CG 4.36Å; L111-Q204 VanDerWaalsContact O-CA 3.29Å; L111-Q204 WeakPolarHBondContact O-CA 3.32Å; L111-H205 WeakPolarHBondContact CD1-NE2 3.47Å; L111-H205 PolarHBondContact N-O 2.81Å; L111-H205 PolarHBondContact O-N 3.19Å; L111-L207 HydrophobicContact CD1-CD1 3.83Å; L111-L207 HydrophobicContact CD1-CG 4.47Å; L111-F220 HydrophobicContact CD1-CE1 3.94Å; L111-F220 HydrophobicContact CD1-CZ 4.11Å; L111-F220 HydrophobicContact CD2-CE1 4Å; L111-F220 HydrophobicContact CD2-CZ 3.56Å; L111-F220 HydrophobicContact CG-CZ 4.46Å
112E97.6Very high94.7Very high61 Ų6132.2 Ų32.229%0.28519%0.189SC..EExtended strand (participates in β ladder)trans-135.1146.4178.770.8-176.2-168.600112.6T81 H202 F203 Q204T81-E112 HydrophobicContact CG2-CG 4.05Å; T81-E112 VanDerWaalsContact CG2-OE1 3.28Å; T81-E112 WeakPolarHBondContact CG2-OE1 3.41Å; T81-E112 PolarHBondContact N-O 3.04Å; T81-E112 PolarHBondContact O-N 3.12Å; E112-H202 IonicContact OE2-NE2 3.88Å; E112-F203 CarbonylContact C-O 3.57Å; E112-F203 VanDerWaalsContact CA-O 3.28Å; E112-F203 WeakPolarHBondContact CA-O 3.28Å; E112-Q204 HydrophobicContact CB-CB 4.08Å; E112-Q204 HydrophobicContact CB-CG 4.1Å
113Q98.1Very high95.2Very high20 Ų2030.4 Ų30.49%0.09317%0.168CC..EExtended strand (participates in β ladder)trans-140.8142.2169.4-89.7-173.588.600110.2L41 K42 S79 W80 F203L41-Q113 HydrophobicContact CD2-CB 4.01Å; K42-Q113 PolarHBondContact O-NE2 2.91Å; S79-Q113 VanDerWaalsContact O-CD 3.31Å; S79-Q113 VanDerWaalsContact O-CG 3.28Å; S79-Q113 WeakPolarHBondContact O-CG 3.44Å; S79-Q113 PolarHBondContact O-OE1 2.84Å; W80-Q113 HydrophobicContact CD2-CG 3.96Å; W80-Q113 HydrophobicContact CE3-CB 4.09Å; W80-Q113 HydrophobicContact CE3-CG 3.61Å; W80-Q113 VanDerWaalsContact CH2-NE2 3.28Å; W80-Q113 HydrophobicContact CZ3-CB 4Å; W80-Q113 HydrophobicContact CZ3-CG 3.96Å; Q113-F203 PolarHBondContact N-O 3.2Å; Q113-F203 PolarHBondContact O-N 3.35Å
114V98.1Very high95.5Very high76 Ų7630.6 Ų30.646%0.46117%0.169SC..EExtended strand (participates in β ladder)trans-113.7115.8174-177.90000109Y200 V201 H202V114-Y200 HydrophobicContact CG1-CD1 3.98Å; V114-Y200 HydrophobicContact CG1-CG 4.36Å; V114-V201 WeakPolarHBondContact CA-O 3.41Å; V114-H202 HydrophobicContact CG2-CB 4.31Å
115V97.9Very high95.7Very high6 Ų631.8 Ų31.84%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-89.6125177.3-179.70000109.1L40 L41 L117 E120 Y200 V201L40-V115 HydrophobicContact CB-CG1 3.7Å; L40-V115 HydrophobicContact CB-CG2 4.23Å; L40-V115 HydrophobicContact CD1-CG1 3.92Å; L40-V115 HydrophobicContact CG-CG1 4.44Å; L41-V115 HydrophobicContact CD2-CG2 3.86Å; V115-L117 HydrophobicContact CG1-CD2 4.18Å; V115-E120 HydrophobicContact CG1-CG 3.89Å; V115-Y200 WeakPolarHBondContact O-CA 3.38Å; V115-V201 HydrophobicContact CB-CB 4.27Å; V115-V201 PolarHBondContact N-O 2.97Å; V115-V201 PolarHBondContact O-N 2.92Å
116D97.8Very high95.7Very high48 Ų4830 Ų3026%0.25716%0.163SC..EExtended strand (participates in β ladder)trans-88.7103169.1-173.6-38000109.2K118 A119 E120 Y200D116-K118 PolarHBondContact O-N 2.93Å; D116-K118 WeakPolarHBondContact OD1-CB 3.47Å; D116-K118 PolarHBondContact OD1-N 2.94Å; D116-A119 HydrophobicContact CB-CB 3.78Å; D116-A119 PolarHBondContact O-N 3.39Å; D116-A119 PolarHBondContact OD1-N 3.44Å; D116-E120 WeakPolarHBondContact O-CG 3.31Å; D116-E120 PolarHBondContact O-N 3.05Å; D116-Y200 HydrophobicContact CB-CD1 3.9Å; D116-Y200 HydrophobicContact CB-CE1 3.56Å; D116-Y200 WeakPolarHBondContact OD2-CE1 3.23Å; D116-Y200 PolarHBondContact OD2-OH 2.61Å
117L97.1Very high95.8Very high0 Ų028.2 Ų28.20%016%0.155CC..THydrogen-bonded Turntrans-61.5-31.6-174.4-64.6174.8000111.9L40 V115 E120 G121 L122 L127 I134 V198 R199 V201 V227L40-L117 HydrophobicContact CD1-CD2 3.84Å; V115-L117 HydrophobicContact CG1-CD2 4.18Å; L117-E120 PolarHBondContact O-N 2.95Å; L117-G121 PolarHBondContact O-N 2.81Å; L117-L122 HydrophobicContact CB-CB 4.37Å; L117-L122 HydrophobicContact CB-CD1 3.76Å; L117-L122 HydrophobicContact CD2-CD1 3.64Å; L117-L122 HydrophobicContact CG-CD1 4.22Å; L117-L122 VanDerWaalsContact O-CB 3.24Å; L117-L122 WeakPolarHBondContact O-CB 3.13Å; L117-L122 PolarHBondContact O-N 2.8Å; L117-L127 HydrophobicContact CB-CD1 3.96Å; L117-L127 HydrophobicContact CD1-CD1 4.15Å; L117-L127 HydrophobicContact CD1-CD2 4.01Å; L117-I134 HydrophobicContact CD1-CD1 4.33Å; L117-V198 HydrophobicContact CD1-CG1 3.77Å; L117-R199 WeakPolarHBondContact CB-O 3.27Å; L117-R199 PolarHBondContact N-O 2.94Å; L117-V201 HydrophobicContact CD1-CG2 4.13Å; L117-V201 HydrophobicContact CD2-CG2 3.92Å; L117-V201 HydrophobicContact CG-CG2 4.23Å; L117-V227 HydrophobicContact CD2-CG2 4.3Å
118K94.4Very high95.7Very high103 Ų10330.1 Ų30.145%0.44817%0.165SC..THydrogen-bonded Turntrans-73-43.7178.5-65.7-175.965152.30111.9D116 E120 G121 L122 D124D116-K118 PolarHBondContact O-N 2.93Å; D116-K118 WeakPolarHBondContact OD1-CB 3.47Å; D116-K118 PolarHBondContact OD1-N 2.94Å; K118-E120 PolarHBondContact O-N 2.91Å; K118-G121 PolarHBondContact O-N 2.81Å; K118-L122 VanDerWaalsContact CA-O 3.3Å; K118-L122 WeakPolarHBondContact CA-O 3.43Å; K118-D124 VanDerWaalsContact CD-OD1 3.23Å; K118-D124 WeakPolarHBondContact CD-OD1 3.36Å; K118-D124 WeakPolarHBondContact CE-OD1 3.23Å; K118-D124 IonicContact NZ-OD1 3.5Å; K118-D124 PolarHBondContact NZ-OD1 2.85Å; K118-D124 IonicContact NZ-OD2 3.35Å; K118-D124 PolarHBondContact NZ-OD2 3.16Å
119A94.8Very high95.5Very high78 Ų7836.1 Ų36.165%0.64519%0.192SC*.THydrogen-bonded Turntrans-62.4-30175.400000112D116 G121D116-A119 HydrophobicContact CB-CB 3.78Å; D116-A119 PolarHBondContact O-N 3.39Å; D116-A119 PolarHBondContact OD1-N 3.44Å; A119-G121 VanDerWaalsContact C-N 3.25Å; A119-G121 PolarHBondContact O-N 2.62Å
120E95.3Very high95.3Very high37 Ų3737 Ų3717%0.17320%0.196CC..THydrogen-bonded Turntrans-76.3-8.8175-64.8-58.9140.900113.8P35 R38 L40 V115 D116 L117 K118P35-E120 WeakPolarHBondContact CB-O 3.45Å; R38-E120 IonicContact CZ-OE2 3.13Å; R38-E120 VanDerWaalsContact CZ-OE2 3.24Å; R38-E120 IonicContact NH1-OE2 3.55Å; R38-E120 PolarHBondContact NH1-OE2 3Å; R38-E120 PolarHBondContact NH2-O 2.9Å; R38-E120 IonicContact NH2-OE2 2.73Å; R38-E120 PolarHBondContact NH2-OE2 3.49Å; L40-E120 HydrophobicContact CD2-CB 4.13Å; L40-E120 HydrophobicContact CD2-CG 4.14Å; V115-E120 HydrophobicContact CG1-CG 3.89Å; D116-E120 WeakPolarHBondContact O-CG 3.31Å; D116-E120 PolarHBondContact O-N 3.05Å; L117-E120 PolarHBondContact O-N 2.95Å; K118-E120 PolarHBondContact O-N 2.91Å
121G92.6Very high95.1Very high12 Ų1237.8 Ų37.812%0.12420%0.198CC..THydrogen-bonded Turntrans109.96.2174.300000115.6L117 K118 A119L117-G121 PolarHBondContact O-N 2.81Å; K118-G121 PolarHBondContact O-N 2.81Å; A119-G121 VanDerWaalsContact C-N 3.25Å; A119-G121 PolarHBondContact O-N 2.62Å
122L93.6Very high94.9Very high5 Ų537.8 Ų37.83%0.02620%0.198CC..  trans-83.9144.2174.5-59.2153.5000110P35 L36 L117 K118 L126 L127 V227P35-L122 HydrophobicContact CB-CD2 3.96Å; P35-L122 HydrophobicContact CB-CG 3.88Å; P35-L122 HydrophobicContact CG-CD2 4.42Å; L36-L122 HydrophobicContact CD2-CD2 3.86Å; L117-L122 HydrophobicContact CB-CB 4.37Å; L117-L122 HydrophobicContact CB-CD1 3.76Å; L117-L122 HydrophobicContact CD2-CD1 3.64Å; L117-L122 HydrophobicContact CG-CD1 4.22Å; L117-L122 VanDerWaalsContact O-CB 3.24Å; L117-L122 WeakPolarHBondContact O-CB 3.13Å; L117-L122 PolarHBondContact O-N 2.8Å; K118-L122 VanDerWaalsContact CA-O 3.3Å; K118-L122 WeakPolarHBondContact CA-O 3.43Å; L122-L126 HydrophobicContact CD2-CD2 3.54Å; L122-L127 HydrophobicContact CB-CD1 4.17Å; L122-L127 HydrophobicContact CB-CD2 4.28Å; L122-L127 HydrophobicContact CB-CG 4.29Å; L122-L127 HydrophobicContact CD1-CD2 4.42Å; L122-V227 HydrophobicContact CD1-CB 4.37Å; L122-V227 HydrophobicContact CD1-CG1 4.41Å; L122-V227 HydrophobicContact CD1-CG2 3.86Å; L122-V227 HydrophobicContact CD2-CG1 4.05Å
123W93.6Very high94.8Very high10 Ų1036.2 Ų36.24%0.03819%0.191CC..  trans-110.7159.6-179.563.397.5000112.1L16 P20 M21 V25 W27 V30 E125 L126 L127L16-W123 HydrophobicContact CD1-CH2 3.82Å; P20-W123 PolarHBondContact O-NE1 3.29Å; M21-W123 HydrophobicContact CG-CZ2 4.47Å; V25-W123 HydrophobicContact CG2-CB 4.03Å; V25-W123 HydrophobicContact CG2-CG 4.42Å; W27-W123 HydrophobicContact CH2-CD2 4.13Å; W27-W123 AromaticContact CH2-CE2 3.73Å; W27-W123 HydrophobicContact CH2-CE3 4.25Å; W27-W123 AromaticContact CH2-CH2 3.7Å; W27-W123 HydrophobicContact CH2-CH2 3.7Å; W27-W123 AromaticContact CH2-CZ2 3.54Å; W27-W123 HydrophobicContact CH2-CZ2 3.54Å; W27-W123 HydrophobicContact CH2-CZ3 4.05Å; W27-W123 HydrophobicContact CZ3-CE3 4.27Å; W27-W123 AromaticContact CZ3-CH2 3.64Å; W27-W123 HydrophobicContact CZ3-CH2 3.64Å; W27-W123 AromaticContact CZ3-CZ2 4Å; W27-W123 HydrophobicContact CZ3-CZ2 4Å; W27-W123 AromaticContact CZ3-CZ3 3.78Å; W27-W123 HydrophobicContact CZ3-CZ3 3.78Å; V30-W123 HydrophobicContact CG1-CE3 4.31Å; V30-W123 HydrophobicContact CG1-CZ3 3.94Å; W123-E125 PolarHBondContact O-N 2.68Å; W123-L126 HydrophobicContact CD2-CB 3.79Å; W123-L126 HydrophobicContact CD2-CD2 4.35Å; W123-L126 VanDerWaalsContact CE2-CB 3.42Å; W123-L126 HydrophobicContact CE3-CB 4.4Å; W123-L126 HydrophobicContact CE3-CD2 4.12Å; W123-L126 HydrophobicContact CG-CB 4.12Å; W123-L126 HydrophobicContact CH2-CB 4.34Å; W123-L126 HydrophobicContact CH2-CD1 4.19Å; W123-L126 HydrophobicContact CH2-CD2 3.84Å; W123-L126 HydrophobicContact CH2-CG 4.36Å; W123-L126 HydrophobicContact CZ2-CB 3.72Å; W123-L126 HydrophobicContact CZ2-CD1 3.9Å; W123-L126 HydrophobicContact CZ2-CD2 4.07Å; W123-L126 HydrophobicContact CZ2-CG 4.12Å; W123-L126 HydrophobicContact CZ3-CD2 3.87Å; W123-L126 WeakPolarHBondContact O-CB 3.14Å; W123-L126 PolarHBondContact O-N 2.89Å; W123-L127 PolarHBondContact O-N 3.02Å; W123-L127 VanDerWaalsContact O-N 3.15Å
124D94.6Very high94.7Very high45 Ų4535.2 Ų35.224%0.24119%0.187CC..Hα-helixtrans-57.6-46.8-170.7-73.530.1000112.2K118 L126 L127 D128 R199K118-D124 VanDerWaalsContact CD-OD1 3.23Å; K118-D124 WeakPolarHBondContact CD-OD1 3.36Å; K118-D124 WeakPolarHBondContact CE-OD1 3.23Å; K118-D124 IonicContact NZ-OD1 3.5Å; K118-D124 PolarHBondContact NZ-OD1 2.85Å; K118-D124 IonicContact NZ-OD2 3.35Å; K118-D124 PolarHBondContact NZ-OD2 3.16Å; D124-L126 VanDerWaalsContact C-N 3.31Å; D124-L126 PolarHBondContact O-N 3.39Å; D124-L127 PolarHBondContact O-N 2.97Å; D124-D128 VanDerWaalsContact O-CB 3.26Å; D124-D128 WeakPolarHBondContact O-CB 3.5Å; D124-D128 PolarHBondContact O-N 2.91Å; D124-R199 IonicContact OD1-CZ 3.46Å; D124-R199 IonicContact OD1-NE 3.87Å; D124-R199 PolarHBondContact OD1-NE 3.13Å; D124-R199 IonicContact OD1-NH2 3.84Å; D124-R199 IonicContact OD2-CZ 2.73Å; D124-R199 IonicContact OD2-NE 3.78Å; D124-R199 PolarHBondContact OD2-NE 2.86Å; D124-R199 IonicContact OD2-NH2 2.88Å; D124-R199 PolarHBondContact OD2-NH2 3.27Å
125E93.5Very high94.6Very high65 Ų6531.9 Ų31.930%0.30417%0.166SC..Hα-helixtrans-67.7-31.6-177.2-61.183.5169.300112.8P20 W123 K129P20-E125 HydrophobicContact CB-CB 3.73Å; P20-E125 VanDerWaalsContact CG-C 3.42Å; P20-E125 HydrophobicContact CG-CB 3.42Å; P20-E125 VanDerWaalsContact CG-CB 3.42Å; P20-E125 WeakPolarHBondContact CG-O 3.49Å; W123-E125 PolarHBondContact O-N 2.68Å; E125-K129 WeakPolarHBondContact O-CB 3.28Å; E125-K129 PolarHBondContact O-N 2.96Å
126L93.1Very high94.6Very high0 Ų031.6 Ų31.60%016%0.164CC..Iπ-helixtrans-64-50172.3179.175.7000110L16 A19 L122 W123 D124 D128 F130 Q131 P132L16-L126 HydrophobicContact CD2-CD1 3.9Å; A19-L126 HydrophobicContact CB-CD1 4.03Å; L122-L126 HydrophobicContact CD2-CD2 3.54Å; W123-L126 HydrophobicContact CD2-CB 3.79Å; W123-L126 HydrophobicContact CD2-CD2 4.35Å; W123-L126 VanDerWaalsContact CE2-CB 3.42Å; W123-L126 HydrophobicContact CE3-CB 4.4Å; W123-L126 HydrophobicContact CE3-CD2 4.12Å; W123-L126 HydrophobicContact CG-CB 4.12Å; W123-L126 HydrophobicContact CH2-CB 4.34Å; W123-L126 HydrophobicContact CH2-CD1 4.19Å; W123-L126 HydrophobicContact CH2-CD2 3.84Å; W123-L126 HydrophobicContact CH2-CG 4.36Å; W123-L126 HydrophobicContact CZ2-CB 3.72Å; W123-L126 HydrophobicContact CZ2-CD1 3.9Å; W123-L126 HydrophobicContact CZ2-CD2 4.07Å; W123-L126 HydrophobicContact CZ2-CG 4.12Å; W123-L126 HydrophobicContact CZ3-CD2 3.87Å; W123-L126 WeakPolarHBondContact O-CB 3.14Å; W123-L126 PolarHBondContact O-N 2.89Å; D124-L126 VanDerWaalsContact C-N 3.31Å; D124-L126 PolarHBondContact O-N 3.39Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D128 PolarHBondContact O-N 3.01Å; L126-F130 HydrophobicContact CD1-CB 3.9Å; L126-F130 HydrophobicContact CD1-CD1 3.68Å; L126-F130 HydrophobicContact CD1-CE1 4.48Å; L126-F130 HydrophobicContact CD1-CG 3.97Å; L126-F130 CarbonylContact O-C 3.38Å; L126-F130 WeakPolarHBondContact O-CA 3.42Å; L126-F130 VanDerWaalsContact O-CB 3.31Å; L126-F130 WeakPolarHBondContact O-CB 3.28Å; L126-F130 PolarHBondContact O-N 2.85Å; L126-F130 VanDerWaalsContact O-N 3.15Å; L126-Q131 PolarHBondContact O-N 3.32Å; L126-P132 HydrophobicContact CD2-CG 4.34Å; L126-P132 HydrophobicContact CG-CG 4.08Å; L126-P132 VanDerWaalsContact O-CD 3.3Å; L126-P132 WeakPolarHBondContact O-CD 3.39Å
127L94.9Very high94.4Very high0 Ų032 Ų320%017%0.165CC..Iπ-helixtrans-66.7-35.8-179-63.6172.9000112L117 L122 W123 D124 Q131 P132 V198L117-L127 HydrophobicContact CB-CD1 3.96Å; L117-L127 HydrophobicContact CD1-CD1 4.15Å; L117-L127 HydrophobicContact CD1-CD2 4.01Å; L122-L127 HydrophobicContact CB-CD1 4.17Å; L122-L127 HydrophobicContact CB-CD2 4.28Å; L122-L127 HydrophobicContact CB-CG 4.29Å; L122-L127 HydrophobicContact CD1-CD2 4.42Å; W123-L127 PolarHBondContact O-N 3.02Å; W123-L127 VanDerWaalsContact O-N 3.15Å; D124-L127 PolarHBondContact O-N 2.97Å; L127-Q131 WeakPolarHBondContact O-CG 3.29Å; L127-P132 HydrophobicContact CD2-CG 4.39Å; L127-V198 WeakPolarHBondContact CD1-O 3.28Å
128D94.8Very high94.3Very high40 Ų4032 Ų3221%0.21417%0.165CC..Iπ-helixtrans-87.3-40.1-172.8-65.1-18.7000113.1D124 L126 Q131 P196 G197 R199D124-D128 VanDerWaalsContact O-CB 3.26Å; D124-D128 WeakPolarHBondContact O-CB 3.5Å; D124-D128 PolarHBondContact O-N 2.91Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D128 PolarHBondContact O-N 3.01Å; D128-Q131 PolarHBondContact O-NE2 3.07Å; D128-P196 HydrophobicContact CB-CB 3.88Å; D128-G197 WeakPolarHBondContact OD1-CA 2.97Å; D128-G197 PolarHBondContact OD1-N 3.33Å; D128-R199 IonicContact OD1-CZ 2.73Å; D128-R199 IonicContact OD1-NH1 3.6Å; D128-R199 PolarHBondContact OD1-NH1 3.27Å; D128-R199 IonicContact OD1-NH2 3.5Å; D128-R199 IonicContact OD2-CZ 2.76Å; D128-R199 IonicContact OD2-NH1 3.68Å; D128-R199 IonicContact OD2-NH2 2.83Å; D128-R199 PolarHBondContact OD2-NH2 3.41Å
129K92.4Very high94.3Very high139 Ų13929.6 Ų29.660%0.60415%0.153SC*.Iπ-helixtrans-104.7-43.6-173.4-56.1179.1178.61730113.3P20 E125P20-K129 HydrophobicContact CB-CD 4.39Å; P20-K129 HydrophobicContact CG-CB 4.1Å; P20-K129 HydrophobicContact CG-CD 4.15Å; E125-K129 WeakPolarHBondContact O-CB 3.28Å; E125-K129 PolarHBondContact O-N 2.96Å
130F91.4Very high94.2Very high18 Ų1826.3 Ų26.38%0.07912%0.124CC..Iπ-helixtrans-79.5-37.2178.9-173.6-98.1000111.1L16 A19 L126 P132 R231L16-F130 HydrophobicContact CD2-CE1 4.17Å; L16-F130 HydrophobicContact CD2-CZ 4.37Å; A19-F130 HydrophobicContact CB-CB 4.26Å; A19-F130 HydrophobicContact CB-CD2 3.66Å; A19-F130 HydrophobicContact CB-CE2 4.12Å; A19-F130 HydrophobicContact CB-CG 3.95Å; L126-F130 HydrophobicContact CD1-CB 3.9Å; L126-F130 HydrophobicContact CD1-CD1 3.68Å; L126-F130 HydrophobicContact CD1-CE1 4.48Å; L126-F130 HydrophobicContact CD1-CG 3.97Å; L126-F130 CarbonylContact O-C 3.38Å; L126-F130 WeakPolarHBondContact O-CA 3.42Å; L126-F130 VanDerWaalsContact O-CB 3.31Å; L126-F130 WeakPolarHBondContact O-CB 3.28Å; L126-F130 PolarHBondContact O-N 2.85Å; L126-F130 VanDerWaalsContact O-N 3.15Å; F130-P132 HydrophobicContact CD1-CB 4.02Å; F130-P132 HydrophobicContact CD1-CG 4.5Å; F130-P132 HydrophobicContact CE1-CB 4.18Å; F130-R231 HydrophobicContact CE1-CB 4.48Å; F130-R231 HydrophobicContact CZ-CB 4.29Å; F130-R231 WeakPolarHBondContact O-CD 3.48Å
131Q94Very high94Very high30 Ų3025.1 Ų25.114%0.1412%0.119CC..  trans51.763.9179.6-67.2171.24000111.5L126 L127 D128 S193 Y194L126-Q131 PolarHBondContact O-N 3.32Å; L127-Q131 WeakPolarHBondContact O-CG 3.29Å; D128-Q131 PolarHBondContact O-NE2 3.07Å; Q131-S193 VanDerWaalsContact OE1-C 3.25Å; Q131-S193 VanDerWaalsContact OE1-CA 3.29Å; Q131-Y194 WeakPolarHBondContact CA-OH 3.26Å; Q131-Y194 HydrophobicContact CB-CE1 4.33Å; Q131-Y194 HydrophobicContact CB-CE2 4.1Å; Q131-Y194 HydrophobicContact CG-CD2 4.36Å; Q131-Y194 HydrophobicContact CG-CE2 3.93Å
132P93.9Very high93.7Very high0 Ų024.6 Ų24.60%011%0.113CC..  trans-59.4146.6-179.927.5-35.6000110.9L126 L127 F130 I134 Y194 V227 K228L126-P132 HydrophobicContact CD2-CG 4.34Å; L126-P132 HydrophobicContact CG-CG 4.08Å; L126-P132 VanDerWaalsContact O-CD 3.3Å; L126-P132 WeakPolarHBondContact O-CD 3.39Å; L127-P132 HydrophobicContact CD2-CG 4.39Å; F130-P132 HydrophobicContact CD1-CB 4.02Å; F130-P132 HydrophobicContact CD1-CG 4.5Å; F130-P132 HydrophobicContact CE1-CB 4.18Å; P132-I134 PolarHBondContact O-N 3.11Å; P132-Y194 VanDerWaalsContact CD-OH 3.26Å; P132-Y194 WeakPolarHBondContact CD-OH 3.38Å; P132-Y194 VanDerWaalsContact O-CE1 3.23Å; P132-Y194 WeakPolarHBondContact O-CE1 3.42Å; P132-Y194 PolarHBondContact O-OH 2.96Å; P132-V227 HydrophobicContact CB-CG1 3.76Å; P132-V227 HydrophobicContact CG-CG1 3.67Å; P132-K228 WeakPolarHBondContact CB-O 3.44Å
133E95.2Very high93.3Very high28 Ų2825.3 Ų25.313%0.13112%0.118CC..EExtended strand (participates in β ladder)trans-57.7126175.8-77.9178.5-171.500111.6V190 F191 V227 K228 V230 T232E133-V190 HydrophobicContact CB-CG1 3.7Å; E133-V190 HydrophobicContact CG-CG1 3.58Å; E133-F191 WeakPolarHBondContact CA-O 3.43Å; E133-V227 WeakPolarHBondContact O-CA 3.42Å; E133-K228 HydrophobicContact CB-CB 4.42Å; E133-K228 PolarHBondContact N-O 3.18Å; E133-K228 PolarHBondContact O-N 3.06Å; E133-V230 WeakPolarHBondContact CG-O 3.47Å; E133-V230 PolarHBondContact N-O 3.42Å; E133-T232 PolarHBondContact OE1-OG1 3.2Å
134I96.6Very high92.9Very high0 Ų029.6 Ų29.60%014%0.139CC..EExtended strand (participates in β ladder)trans-102.7107.5171.2-53177.6000107.1L117 P132 I136 L156 F191 Y194 V198 V201 V225 V227L117-I134 HydrophobicContact CD1-CD1 4.33Å; P132-I134 PolarHBondContact O-N 3.11Å; I134-I136 HydrophobicContact CG2-CD1 4.15Å; I134-L156 HydrophobicContact CD1-CD1 4.16Å; I134-L156 HydrophobicContact CD1-CD2 3.81Å; I134-F191 HydrophobicContact CB-CB 4.25Å; I134-F191 HydrophobicContact CB-CD2 4.42Å; I134-F191 PolarHBondContact N-O 3.33Å; I134-F191 PolarHBondContact O-N 2.99Å; I134-Y194 HydrophobicContact CD1-CE1 4.08Å; I134-Y194 HydrophobicContact CG1-CE1 4.1Å; I134-V198 HydrophobicContact CD1-CG1 4.43Å; I134-V201 HydrophobicContact CD1-CG2 4.29Å; I134-V201 HydrophobicContact CG2-CG2 4.27Å; I134-V225 HydrophobicContact CG2-CG1 3.97Å; I134-V227 HydrophobicContact CG1-CG2 4.27Å
135V96Very high92.6Very high5 Ų528.7 Ų28.73%0.0313%0.134CC..EExtended strand (participates in β ladder)trans-94.4126.8-177.4-173.30000109.3Q137 H189 V190 V225 I226 K228V135-Q137 HydrophobicContact CG1-CG 3.99Å; V135-H189 WeakPolarHBondContact CA-O 3.18Å; V135-V190 HydrophobicContact CG1-CG2 4.32Å; V135-V190 HydrophobicContact CG2-CG1 4.33Å; V135-V190 HydrophobicContact CG2-CG2 4.13Å; V135-V225 WeakPolarHBondContact O-CA 3.33Å; V135-I226 PolarHBondContact N-O 2.84Å; V135-I226 PolarHBondContact O-N 3.44Å; V135-K228 HydrophobicContact CG2-CD 3.74Å; V135-K228 HydrophobicContact CG2-CG 4.04Å
136I96.5Very high92.4Very high0 Ų027 Ų270%013%0.125CC..EExtended strand (participates in β ladder)trans-108.3129175.1-50.3-55.9000107.6I134 L152 V154 V187 S188 H189 F191 V201 F203 S224 V225I134-I136 HydrophobicContact CG2-CD1 4.15Å; I136-L152 HydrophobicContact CG2-CD2 4.2Å; I136-V154 HydrophobicContact CD1-CG1 3.81Å; I136-V154 HydrophobicContact CG1-CB 4.47Å; I136-V154 HydrophobicContact CG1-CG1 4.08Å; I136-V154 HydrophobicContact CG1-CG2 4.35Å; I136-V154 HydrophobicContact CG2-CG2 3.82Å; I136-V187 VanDerWaalsContact O-O 3.13Å; I136-S188 WeakPolarHBondContact O-CA 3.12Å; I136-H189 HydrophobicContact CB-CB 4.41Å; I136-H189 PolarHBondContact N-O 2.78Å; I136-H189 PolarHBondContact O-N 2.71Å; I136-H189 VanDerWaalsContact O-N 3.07Å; I136-F191 HydrophobicContact CD1-CD2 4.5Å; I136-F191 HydrophobicContact CD1-CE2 4.25Å; I136-F191 HydrophobicContact CG1-CD2 4.09Å; I136-F191 HydrophobicContact CG1-CE2 3.77Å; I136-V201 HydrophobicContact CD1-CG1 4.5Å; I136-F203 HydrophobicContact CG2-CD2 4.19Å; I136-F203 HydrophobicContact CG2-CE2 3.84Å; I136-S224 WeakPolarHBondContact CA-O 3.47Å; I136-V225 HydrophobicContact CD1-CB 4.39Å; I136-V225 HydrophobicContact CD1-CG1 4.19Å; I136-V225 HydrophobicContact CD1-CG2 3.84Å
137Q94.9Very high92.2Very high57 Ų5730.5 Ų30.527%0.26615%0.145SC..EExtended strand (participates in β ladder)trans-134142.2170.6-44.8-177.2-94.800109.4V135 V187 S223 S224V135-Q137 HydrophobicContact CG1-CG 3.99Å; Q137-V187 WeakPolarHBondContact CA-O 3.1Å; Q137-S223 CarbonylContact O-C 3.56Å; Q137-S224 WeakPolarHBondContact CB-OG 3.32Å; Q137-S224 PolarHBondContact N-O 2.77Å; Q137-S224 PolarHBondContact O-N 3.01Å
138D95.3Very high92Very high0 Ų033.8 Ų33.80%016%0.157CC..EExtended strand (participates in β ladder)trans-152.9153172.7-158.517.3000110.6Y150 V186 F203 H205 S223D138-Y150 PolarHBondContact OD2-OH 3.05Å; D138-V186 HydrophobicContact CB-CG2 4.15Å; D138-V186 WeakPolarHBondContact O-CG2 3.47Å; D138-V186 PolarHBondContact O-N 2.73Å; D138-F203 HydrophobicContact CB-CZ 4.26Å; D138-H205 IonicContact OD2-CE1 2.68Å; D138-H205 IonicContact OD2-CG 2.86Å; D138-H205 IonicContact OD2-ND1 2.89Å; D138-H205 PolarHBondContact OD2-ND1 2.59Å; D138-S223 WeakPolarHBondContact OD1-CA 3.16Å; D138-S223 WeakPolarHBondContact OD1-CB 3.39Å; D138-S223 PolarHBondContact OD1-OG 2.61Å
139W94.1Very high91.9Very high52 Ų5231.9 Ų31.920%0.19715%0.147CC..EExtended strand (participates in β ladder)trans-130.4139.2-178-64.375.6000110.3K51 W183 K184 E185 F220 T221K51-W139 HydrophobicContact CB-CB 4.41Å; K51-W139 HydrophobicContact CB-CD2 3.87Å; K51-W139 HydrophobicContact CB-CE3 4.21Å; K51-W139 HydrophobicContact CB-CG 3.96Å; K51-W139 HydrophobicContact CD-CD2 4.01Å; K51-W139 VanDerWaalsContact CD-CE2 3.48Å; K51-W139 HydrophobicContact CD-CG 4.15Å; K51-W139 HydrophobicContact CD-CZ2 3.91Å; K51-W139 VanDerWaalsContact CD-NE1 3.32Å; W139-W183 HydrophobicContact CB-CE3 4.48Å; W139-W183 HydrophobicContact CE3-CB 3.72Å; W139-W183 HydrophobicContact CZ3-CB 4.23Å; W139-K184 WeakPolarHBondContact CA-O 3.25Å; W139-E185 HydrophobicContact CD2-CB 4.14Å; W139-E185 HydrophobicContact CE3-CB 4Å; W139-E185 VanDerWaalsContact CE3-N 3.29Å; W139-E185 HydrophobicContact CH2-CB 3.75Å; W139-E185 HydrophobicContact CH2-CG 4.35Å; W139-E185 HydrophobicContact CZ2-CB 3.82Å; W139-E185 HydrophobicContact CZ2-CG 3.93Å; W139-E185 HydrophobicContact CZ3-CB 3.83Å; W139-F220 CarbonylContact O-C 3.54Å; W139-F220 WeakPolarHBondContact O-CA 3.18Å; W139-F220 VanDerWaalsContact O-CB 3.31Å; W139-F220 WeakPolarHBondContact O-CB 3.45Å; W139-T221 HydrophobicContact CB-CG2 3.99Å; W139-T221 WeakPolarHBondContact CB-O 3.3Å; W139-T221 PolarHBondContact N-O 2.77Å; W139-T221 PolarHBondContact O-N 3.47Å
140Y92.8Very high92Very high9 Ų925.2 Ų25.24%0.03512%0.118CC..EExtended strand (participates in β ladder)trans-132.6152.3175.371.8-66.1000110.2I149 Y150 P172 E174 K184 V186 R219Y140-I149 HydrophobicContact CD2-CD1 3.99Å; Y140-I149 HydrophobicContact CD2-CG1 4.17Å; Y140-I149 HydrophobicContact CE2-CD1 3.92Å; Y140-I149 HydrophobicContact CE2-CG1 3.99Å; Y140-Y150 HydrophobicContact CD1-CD2 4.47Å; Y140-Y150 HydrophobicContact CD1-CG 4.42Å; Y140-Y150 HydrophobicContact CD2-CG 4.38Å; Y140-Y150 AromaticContact CG-CD2 4Å; Y140-Y150 HydrophobicContact CG-CD2 4Å; Y140-Y150 HydrophobicContact CG-CG 4.13Å; Y140-P172 HydrophobicContact CE1-CG 4.17Å; Y140-P172 WeakPolarHBondContact OH-CB 3.34Å; Y140-P172 WeakPolarHBondContact OH-CG 3.17Å; Y140-E174 WeakPolarHBondContact CE2-OE1 3.43Å; Y140-E174 PolarHBondContact OH-OE1 3.36Å; Y140-K184 HydrophobicContact CD1-CB 3.91Å; Y140-K184 WeakPolarHBondContact CD1-O 3.5Å; Y140-K184 HydrophobicContact CE1-CB 3.47Å; Y140-K184 VanDerWaalsContact CE1-CB 3.47Å; Y140-K184 HydrophobicContact CE1-CD 4.4Å; Y140-K184 HydrophobicContact CE2-CB 4.44Å; Y140-K184 HydrophobicContact CE2-CD 4.27Å; Y140-K184 PolarHBondContact N-O 3.28Å; Y140-K184 VanDerWaalsContact N-O 3.07Å; Y140-K184 PolarHBondContact O-N 2.75Å; Y140-K184 WeakPolarHBondContact OH-CD 3.38Å; Y140-V186 HydrophobicContact CD1-CB 4.14Å; Y140-V186 HydrophobicContact CD1-CG2 3.19Å; Y140-V186 HydrophobicContact CE1-CB 4.13Å; Y140-V186 HydrophobicContact CE1-CG1 4.38Å; Y140-V186 HydrophobicContact CE1-CG2 3.66Å; Y140-V186 HydrophobicContact CG-CG2 4.14Å; Y140-R219 CarbonylContact C-O 3.59Å; Y140-R219 VanDerWaalsContact CA-O 3.28Å; Y140-R219 WeakPolarHBondContact CA-O 3.26Å; Y140-R219 WeakPolarHBondContact CB-O 3.21Å
141E91.2Very high92.1Very high13 Ų1325.2 Ų25.26%0.06112%0.118CC..EExtended strand (participates in β ladder)trans-77.6127.5173.1-175.8-176.9-178.100108.8P55 S143 H181 W183 R219P55-E141 HydrophobicContact CB-CG 4.02Å; P55-E141 HydrophobicContact CG-CG 4.15Å; E141-S143 PolarHBondContact O-N 3.37Å; E141-H181 IonicContact OE1-CE1 2.73Å; E141-H181 PolarHBondContact OE1-CE1 2.92Å; E141-H181 IonicContact OE1-ND1 3.58Å; E141-H181 PolarHBondContact OE1-ND1 3.24Å; E141-H181 VanDerWaalsContact OE1-ND1 3.12Å; E141-W183 HydrophobicContact CB-CE3 4.24Å; E141-W183 HydrophobicContact CB-CH2 4.47Å; E141-W183 HydrophobicContact CB-CZ3 3.94Å; E141-R219 HydrophobicContact CB-CB 3.95Å; E141-R219 PolarHBondContact N-O 3.47Å; E141-R219 IonicContact OE1-NH1 2.71Å; E141-R219 PolarHBondContact OE1-NH1 2.8Å; E141-R219 WeakPolarHBondContact OE2-CB 3.43Å; E141-R219 WeakPolarHBondContact OE2-CD 3.02Å; E141-R219 WeakPolarHBondContact OE2-CG 3.42Å; E141-R219 IonicContact OE2-CZ 3.34Å; E141-R219 IonicContact OE2-NE 3.12Å; E141-R219 IonicContact OE2-NH1 3.06Å; E141-R219 PolarHBondContact OE2-NH1 2.77Å
142E85.9Confident92.3Very high1 Ų123.8 Ų23.81%0.00511%0.112CC..  trans-62.9133.8169.1-178.4-91143.100110.5E174 Y179 S180 H181 N182 K184E142-E174 WeakPolarHBondContact CG-OE2 3.34Å; E142-Y179 WeakPolarHBondContact OE2-CD2 3.27Å; E142-S180 WeakPolarHBondContact OE2-CA 3.12Å; E142-S180 PolarHBondContact OE2-N 2.87Å; E142-S180 PolarHBondContact OE2-OG 3.48Å; E142-H181 PolarHBondContact OE2-N 3.04Å; E142-H181 VanDerWaalsContact OE2-N 3.08Å; E142-N182 PolarHBondContact N-O 3.05Å; E142-K184 HydrophobicContact CB-CD 3.81Å; E142-K184 HydrophobicContact CB-CG 4.13Å; E142-K184 HydrophobicContact CG-CD 4.12Å; E142-K184 VanDerWaalsContact CG-CE 3.44Å; E142-K184 VanDerWaalsContact CG-NZ 3.28Å
143S84.3Confident92.4Very high20 Ų2025.9 Ų25.914%0.1412%0.122CC..  trans-140.6150.8174.174.10000111.1E141 L145 I149E141-S143 PolarHBondContact O-N 3.37Å; S143-L145 PolarHBondContact O-N 2.85Å; S143-L145 VanDerWaalsContact OG-CB 3.3Å; S143-L145 WeakPolarHBondContact OG-CB 3.43Å; S143-I149 VanDerWaalsContact OG-CD1 3.25Å; S143-I149 WeakPolarHBondContact OG-CD1 3.34Å
144Q86.4Confident92.5Very high100 Ų10024.6 Ų24.647%0.46712%0.115SC..THydrogen-bonded Turntrans-81.820.4173.2-62.7-178.3-63.700112.8L176 Y179Q144-L176 HydrophobicContact CB-CD2 4.32Å; Q144-L176 PolarHBondContact NE2-O 3.13Å; Q144-L176 WeakPolarHBondContact O-CD2 3.45Å; Q144-Y179 HydrophobicContact CG-CD2 3.89Å; Q144-Y179 HydrophobicContact CG-CG 4.26Å
145L87.1Confident92.6Very high26 Ų2627.4 Ų27.414%0.13613%0.128CC..THydrogen-bonded Turntrans-70-38.4-172-174.2152.6000112.7Y106 S143 I149 K208 F216Y106-L145 HydrophobicContact CD1-CD2 3.72Å; Y106-L145 HydrophobicContact CE1-CD2 3.54Å; Y106-L145 HydrophobicContact CE1-CG 4.22Å; Y106-L145 PolarHBondContact OH-O 2.85Å; S143-L145 PolarHBondContact O-N 2.85Å; S143-L145 VanDerWaalsContact OG-CB 3.3Å; S143-L145 WeakPolarHBondContact OG-CB 3.43Å; L145-I149 HydrophobicContact CB-CG2 4.11Å; L145-I149 HydrophobicContact CD2-CG2 4.26Å; L145-K208 HydrophobicContact CD2-CB 4.37Å; L145-K208 HydrophobicContact CD2-CG 4.2Å; L145-F216 HydrophobicContact CD1-CB 3.93Å; L145-F216 WeakPolarHBondContact CD1-O 3.49Å
146H89.8Confident92.7Very high28 Ų2827.1 Ų27.113%0.1313%0.126CC..  trans-162.7161.7-178.8-153.9-89.5000110.8Y106 Y148 I149 K208Y106-H146 AromaticContact CZ-CD2 3.82Å; H146-Y148 AromaticContact CE1-CD1 3.83Å; H146-Y148 AromaticContact CE1-CE1 3.18Å; H146-Y148 WeakPolarHBondContact CE1-CE1 2.79Å; H146-Y148 AromaticContact CE1-CZ 3.28Å; H146-Y148 PolarHBondContact CE1-OH 3.37Å; H146-Y148 AromaticContact ND1-CD1 3.6Å; H146-Y148 AromaticContact ND1-CE1 3.43Å; H146-Y148 WeakPolarHBondContact ND1-CE1 3.34Å; H146-Y148 AromaticContact ND1-CE2 3.97Å; H146-Y148 AromaticContact ND1-CG 3.9Å; H146-Y148 AromaticContact ND1-CZ 3.58Å; H146-Y148 PolarHBondContact ND1-N 3.07Å; H146-Y148 PolarHBondContact O-N 2.94Å; H146-I149 HydrophobicContact CB-CG2 3.84Å; H146-I149 WeakPolarHBondContact O-CG2 3.47Å; H146-K208 HydrophobicContact CB-CD 3.95Å; H146-K208 PolarHBondContact CD2-NZ 3.24Å; H146-K208 PolarHBondContact CE1-NZ 3.17Å; H146-K208 PolarHBondContact ND1-NZ 2.84Å; H146-K208 VanDerWaalsContact ND1-NZ 3.12Å; H146-K208 PolarHBondContact NE2-NZ 2.86Å
147D88.8Confident92.8Very high75 Ų7527.6 Ų27.640%0.40113%0.128SC..SBendtrans-67.7-12.6174.367.5-19.3000114T173 E174D147-T173 CarbonylContact O-C 3.56Å; D147-T173 WeakPolarHBondContact O-CA 3.44Å; D147-T173 WeakPolarHBondContact O-CB 3.41Å; D147-E174 PolarHBondContact O-N 2.83Å
148Y89.9Confident92.9Very high68 Ų6825.7 Ų25.727%0.26712%0.123SC..  trans-143.9112170.355.4-92.2000108.5W108 H146 K208W108-Y148 AromaticContact CH2-CD2 3.97Å; W108-Y148 HydrophobicContact CH2-CD2 3.97Å; W108-Y148 HydrophobicContact CH2-CE2 4.49Å; W108-Y148 AromaticContact CZ2-CD2 3.64Å; W108-Y148 HydrophobicContact CZ2-CD2 3.64Å; W108-Y148 AromaticContact CZ2-CE2 3.73Å; W108-Y148 HydrophobicContact CZ2-CE2 3.73Å; H146-Y148 AromaticContact CE1-CD1 3.83Å; H146-Y148 AromaticContact CE1-CE1 3.18Å; H146-Y148 WeakPolarHBondContact CE1-CE1 2.79Å; H146-Y148 AromaticContact CE1-CZ 3.28Å; H146-Y148 PolarHBondContact CE1-OH 3.37Å; H146-Y148 AromaticContact ND1-CD1 3.6Å; H146-Y148 AromaticContact ND1-CE1 3.43Å; H146-Y148 WeakPolarHBondContact ND1-CE1 3.34Å; H146-Y148 AromaticContact ND1-CE2 3.97Å; H146-Y148 AromaticContact ND1-CG 3.9Å; H146-Y148 AromaticContact ND1-CZ 3.58Å; H146-Y148 PolarHBondContact ND1-N 3.07Å; H146-Y148 PolarHBondContact O-N 2.94Å; Y148-K208 HydrophobicContact CD2-CD 4.33Å; Y148-K208 HydrophobicContact CE2-CD 4.15Å; Y148-K208 VanDerWaalsContact CE2-NZ 3.26Å; Y148-K208 VanDerWaalsContact O-CD 3.23Å; Y148-K208 WeakPolarHBondContact O-CD 3.28Å; Y148-K208 PolarHBondContact OH-NZ 2.83Å
149I93.1Very high93Very high0 Ų029 Ų290%015%0.15CC..  trans-113.5-9.1-175.660.7175.3000113.2Y140 S143 L145 H146 E174 K208 T218Y140-I149 HydrophobicContact CD2-CD1 3.99Å; Y140-I149 HydrophobicContact CD2-CG1 4.17Å; Y140-I149 HydrophobicContact CE2-CD1 3.92Å; Y140-I149 HydrophobicContact CE2-CG1 3.99Å; S143-I149 VanDerWaalsContact OG-CD1 3.25Å; S143-I149 WeakPolarHBondContact OG-CD1 3.34Å; L145-I149 HydrophobicContact CB-CG2 4.11Å; L145-I149 HydrophobicContact CD2-CG2 4.26Å; H146-I149 HydrophobicContact CB-CG2 3.84Å; H146-I149 WeakPolarHBondContact O-CG2 3.47Å; I149-E174 HydrophobicContact CD1-CG 3.9Å; I149-E174 HydrophobicContact CG1-CG 3.84Å; I149-E174 HydrophobicContact CG2-CG 4.47Å; I149-K208 HydrophobicContact CB-CB 4.35Å; I149-K208 PolarHBondContact O-N 2.87Å; I149-T218 HydrophobicContact CB-CG2 4.34Å; I149-T218 HydrophobicContact CD1-CG2 4.14Å; I149-T218 HydrophobicContact CG1-CG2 4.3Å
150Y94.2Very high93.1Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-142.5139.2-172.4-179.5-78.3000110.7D138 Y140 L152 P172 V186 H205 R206 L207D138-Y150 PolarHBondContact OD2-OH 3.05Å; Y140-Y150 HydrophobicContact CD1-CD2 4.47Å; Y140-Y150 HydrophobicContact CD1-CG 4.42Å; Y140-Y150 HydrophobicContact CD2-CG 4.38Å; Y140-Y150 AromaticContact CG-CD2 4Å; Y140-Y150 HydrophobicContact CG-CD2 4Å; Y140-Y150 HydrophobicContact CG-CG 4.13Å; Y150-L152 HydrophobicContact CE1-CB 3.58Å; Y150-P172 HydrophobicContact CD1-CG 4.21Å; Y150-V186 HydrophobicContact CD1-CB 4.44Å; Y150-V186 HydrophobicContact CD1-CG1 3.57Å; Y150-V186 HydrophobicContact CD1-CG2 3.96Å; Y150-V186 HydrophobicContact CD2-CG2 4.31Å; Y150-V186 HydrophobicContact CE1-CB 3.95Å; Y150-V186 HydrophobicContact CE1-CG1 3.23Å; Y150-V186 HydrophobicContact CE1-CG2 3.52Å; Y150-V186 HydrophobicContact CE2-CG2 3.9Å; Y150-V186 HydrophobicContact CG-CG2 4.36Å; Y150-V186 VanDerWaalsContact CZ-CG2 3.48Å; Y150-H205 HydrophobicContact CE2-CB 3.91Å; Y150-H205 AromaticContact CE2-ND1 3.99Å; Y150-H205 WeakPolarHBondContact OH-CB 3.15Å; Y150-R206 CarbonylContact C-O 3.58Å; Y150-R206 WeakPolarHBondContact CA-O 3.46Å; Y150-L207 HydrophobicContact CD2-CD2 3.48Å; Y150-L207 VanDerWaalsContact CD2-CD2 3.48Å; Y150-L207 HydrophobicContact CE2-CD2 3.87Å
151E95.4Very high93.2Very high17 Ų1735.5 Ų35.58%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-135.4131.5170.8-60.5-178.8165.800110W108 H153 A170 K171 H205 R206W108-E151 HydrophobicContact CH2-CG 3.84Å; W108-E151 HydrophobicContact CZ2-CG 4.37Å; W108-E151 HydrophobicContact CZ3-CG 4.3Å; E151-H153 IonicContact OE2-NE2 2.76Å; E151-A170 CarbonylContact C-O 3.55Å; E151-A170 WeakPolarHBondContact CA-O 3.33Å; E151-K171 HydrophobicContact CG-CB 4.44Å; E151-K171 HydrophobicContact CG-CD 4.06Å; E151-K171 HydrophobicContact CG-CG 4.03Å; E151-K171 WeakPolarHBondContact OE1-CD 3.46Å; E151-K171 VanDerWaalsContact OE1-CE 3.27Å; E151-K171 WeakPolarHBondContact OE1-CE 3.38Å; E151-K171 IonicContact OE1-NZ 2.86Å; E151-K171 PolarHBondContact OE1-NZ 2.88Å; E151-H205 CarbonylContact O-C 3.44Å; E151-H205 WeakPolarHBondContact O-CA 3.31Å; E151-H205 WeakPolarHBondContact O-CB 3.25Å; E151-R206 HydrophobicContact CB-CB 4.21Å; E151-R206 PolarHBondContact N-O 3.37Å; E151-R206 PolarHBondContact O-N 2.95Å; E151-R206 WeakPolarHBondContact OE2-CD 3.41Å; E151-R206 IonicContact OE2-CZ 3.99Å; E151-R206 IonicContact OE2-NE 3.77Å; E151-R206 IonicContact OE2-NH1 3.24Å; E151-R206 PolarHBondContact OE2-NH1 3.42Å
152L96.4Very high93.3Very high0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-115.2134.5173.3175.669.2000110I136 Y150 V154 T169 A170 V187 F203 H205I136-L152 HydrophobicContact CG2-CD2 4.2Å; Y150-L152 HydrophobicContact CE1-CB 3.58Å; L152-V154 HydrophobicContact CD1-CG2 3.71Å; L152-V154 HydrophobicContact CD2-CG2 4.28Å; L152-V154 HydrophobicContact CG-CG2 3.94Å; L152-T169 CarbonylContact O-C 3.58Å; L152-T169 VanDerWaalsContact O-CA 3.23Å; L152-T169 WeakPolarHBondContact O-CA 3.23Å; L152-A170 HydrophobicContact CB-CB 4.42Å; L152-A170 PolarHBondContact N-O 2.51Å; L152-A170 PolarHBondContact O-N 2.73Å; L152-V187 HydrophobicContact CD2-CB 4.31Å; L152-V187 HydrophobicContact CD2-CG2 4.35Å; L152-F203 HydrophobicContact CD1-CD2 4.31Å; L152-F203 HydrophobicContact CD1-CE1 4.24Å; L152-F203 HydrophobicContact CD1-CE2 3.75Å; L152-F203 HydrophobicContact CD1-CZ 3.7Å; L152-H205 HydrophobicContact CD1-CB 4.21Å
153H96.8Very high93.9Very high45 Ų4543.2 Ų43.221%0.20823%0.232CC..EExtended strand (participates in β ladder)trans-131.3113.7171.7-60-78.4000109.4E151 T169 Q204E151-H153 IonicContact OE2-NE2 2.76Å; H153-T169 VanDerWaalsContact CE1-CG2 3.41Å; H153-T169 WeakPolarHBondContact CE1-CG2 3.34Å; H153-T169 WeakPolarHBondContact ND1-CG2 3.22Å; H153-T169 PolarHBondContact ND1-OG1 3.04Å; H153-Q204 PolarHBondContact N-O 3.2Å; H153-Q204 PolarHBondContact O-N 3.07Å; H153-Q204 VanDerWaalsContact O-O 3.13Å
154V97.9Very high94.5Very high0 Ų046.3 Ų46.30%025%0.246CC..EExtended strand (participates in β ladder)trans-117.8125.2174.2-1740000110I136 L152 L167 H168 F191 V201 H202 F203I136-V154 HydrophobicContact CD1-CG1 3.81Å; I136-V154 HydrophobicContact CG1-CB 4.47Å; I136-V154 HydrophobicContact CG1-CG1 4.08Å; I136-V154 HydrophobicContact CG1-CG2 4.35Å; I136-V154 HydrophobicContact CG2-CG2 3.82Å; L152-V154 HydrophobicContact CD1-CG2 3.71Å; L152-V154 HydrophobicContact CD2-CG2 4.28Å; L152-V154 HydrophobicContact CG-CG2 3.94Å; V154-L167 WeakPolarHBondContact O-CA 3.48Å; V154-H168 PolarHBondContact N-O 2.84Å; V154-H168 PolarHBondContact O-N 2.78Å; V154-F191 HydrophobicContact CB-CE2 4.18Å; V154-F191 HydrophobicContact CB-CZ 4.23Å; V154-F191 HydrophobicContact CG1-CE2 3.73Å; V154-F191 HydrophobicContact CG1-CZ 4.12Å; V154-V201 HydrophobicContact CG1-CG1 3.76Å; V154-H202 VanDerWaalsContact CA-O 3.32Å; V154-H202 WeakPolarHBondContact CA-O 3.49Å; V154-F203 HydrophobicContact CG2-CD2 3.84Å; V154-F203 HydrophobicContact CG2-CE2 4.32Å; V154-F203 HydrophobicContact CG2-CG 4.49Å
155K98.2Very high95Very high59 Ų5944 Ų4426%0.25724%0.237SC..EExtended strand (participates in β ladder)trans-117.2131.1178.9-60.5161.1-173.7170.60109.7L157 I164 S166 L167 V201 H202K155-L157 HydrophobicContact CB-CD2 3.77Å; K155-L157 HydrophobicContact CB-CG 4.15Å; K155-L157 HydrophobicContact CD-CD2 4.43Å; K155-I164 HydrophobicContact CB-CG2 4.49Å; K155-I164 HydrophobicContact CD-CD1 4.03Å; K155-I164 HydrophobicContact CD-CG1 4.33Å; K155-I164 HydrophobicContact CG-CD1 4.44Å; K155-S166 CarbonylContact C-O 3.56Å; K155-S166 WeakPolarHBondContact CA-O 3.01Å; K155-L167 HydrophobicContact CD-CD1 4.47Å; K155-L167 HydrophobicContact CG-CD1 3.52Å; K155-V201 WeakPolarHBondContact O-CA 3.29Å; K155-H202 HydrophobicContact CB-CB 4.23Å; K155-H202 PolarHBondContact N-O 3.47Å; K155-H202 PolarHBondContact O-N 2.72Å
156L98.4Very high95.5Very high0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-86.1121.3161.2-56.9-169.2000107.8I134 I165 S166 F191 Y194 V198 V201I134-L156 HydrophobicContact CD1-CD1 4.16Å; I134-L156 HydrophobicContact CD1-CD2 3.81Å; L156-I165 PolarHBondContact O-N 2.79Å; L156-S166 PolarHBondContact N-O 2.94Å; L156-S166 PolarHBondContact O-N 2.83Å; L156-F191 HydrophobicContact CD1-CB 3.73Å; L156-F191 HydrophobicContact CD1-CD1 3.8Å; L156-F191 HydrophobicContact CD1-CD2 4.24Å; L156-F191 HydrophobicContact CD1-CE1 4.43Å; L156-F191 HydrophobicContact CD1-CG 3.68Å; L156-F191 HydrophobicContact CD2-CD2 4.03Å; L156-F191 HydrophobicContact CD2-CE2 4.17Å; L156-F191 HydrophobicContact CD2-CG 4.32Å; L156-F191 HydrophobicContact CG-CD1 4.03Å; L156-F191 HydrophobicContact CG-CD2 4.18Å; L156-F191 HydrophobicContact CG-CE1 4.17Å; L156-F191 HydrophobicContact CG-CE2 4.31Å; L156-F191 HydrophobicContact CG-CG 4.02Å; L156-F191 HydrophobicContact CG-CZ 4.3Å; L156-Y194 HydrophobicContact CD1-CD1 3.86Å; L156-Y194 HydrophobicContact CD1-CD2 4.27Å; L156-Y194 HydrophobicContact CD1-CG 3.69Å; L156-V198 HydrophobicContact CB-CG1 4.01Å; L156-V198 HydrophobicContact CB-CG2 3.96Å; L156-V198 HydrophobicContact CD1-CG1 4.41Å; L156-V198 HydrophobicContact CD1-CG2 4.14Å; L156-V198 HydrophobicContact CD2-CG1 4.42Å; L156-V201 HydrophobicContact CD2-CG1 4.35Å; L156-V201 HydrophobicContact CD2-CG2 3.79Å
157L98.4Very high95.8Very high9 Ų947.4 Ų47.45%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-115.2149-173.6-53.6170.7000111.4K155 T163 I164 R199 Y200 H202K155-L157 HydrophobicContact CB-CD2 3.77Å; K155-L157 HydrophobicContact CB-CG 4.15Å; K155-L157 HydrophobicContact CD-CD2 4.43Å; L157-T163 CarbonylContact C-O 3.59Å; L157-T163 VanDerWaalsContact CA-O 3.3Å; L157-T163 WeakPolarHBondContact CA-O 3.32Å; L157-I164 HydrophobicContact CD2-CB 4.43Å; L157-I164 HydrophobicContact CD2-CG1 3.76Å; L157-R199 PolarHBondContact O-N 2.83Å; L157-Y200 PolarHBondContact N-O 3.27Å; L157-Y200 PolarHBondContact O-N 3.35Å; L157-Y200 VanDerWaalsContact O-N 3.11Å; L157-H202 HydrophobicContact CD1-CB 3.65Å; L157-H202 HydrophobicContact CG-CB 4.31Å
158A97.8Very high96.1Very high18 Ų1845.4 Ų45.415%0.14925%0.246CC..  trans-74.2178.5172.800000112.4D160 K161 T163 I165 G197 Y200A158-D160 PolarHBondContact O-N 2.84Å; A158-D160 VanDerWaalsContact O-N 3.1Å; A158-K161 PolarHBondContact O-N 2.82Å; A158-T163 HydrophobicContact CB-CG2 4.22Å; A158-T163 PolarHBondContact N-O 2.91Å; A158-I165 HydrophobicContact CB-CD1 3.91Å; A158-I165 HydrophobicContact CB-CG1 4.37Å; A158-G197 WeakPolarHBondContact CA-O 3.46Å; A158-Y200 WeakPolarHBondContact O-CD2 3.36Å
159A96.6Very high96.4Very high70 Ų7045.4 Ų45.458%0.57925%0.253SS*.THydrogen-bonded Turntrans-57.4-24.5-178.300000114.7K161 R199A159-K161 PolarHBondContact O-N 2.82Å; A159-R199 HydrophobicContact CB-CG 4.01Å
160D95.8Very high96.4Very high80 Ų8046.1 Ų46.143%0.42826%0.259SS..THydrogen-bonded Turntrans-76.9-5.8177.768.2-5.8000113.8A158 T162 T163A158-D160 PolarHBondContact O-N 2.84Å; A158-D160 VanDerWaalsContact O-N 3.1Å; D160-T162 PolarHBondContact O-N 2.82Å; D160-T162 VanDerWaalsContact O-N 3.15Å; D160-T162 PolarHBondContact OD1-N 3.25Å; D160-T162 PolarHBondContact OD1-OG1 3.12Å; D160-T162 PolarHBondContact OD2-OG1 3.05Å; D160-T163 WeakPolarHBondContact OD1-CB 3.15Å; D160-T163 PolarHBondContact OD1-N 3.2Å; D160-T163 WeakPolarHBondContact OD2-CB 3.37Å; D160-T163 PolarHBondContact OD2-N 2.81Å; D160-T163 PolarHBondContact OD2-OG1 3.06Å
161K94.2Very high96.3Very high116 Ų11651 Ų5150%0.50428%0.281SS..SBendtrans60.411.5-173.8-57.9178176.8-1780114.6A158 A159 Y200A158-K161 PolarHBondContact O-N 2.82Å; A159-K161 PolarHBondContact O-N 2.82Å; K161-Y200 HydrophobicContact CD-CE1 4.35Å; K161-Y200 HydrophobicContact CD-CE2 4.36Å; K161-Y200 WeakPolarHBondContact CE-OH 3.28Å; K161-Y200 HydrophobicContact CG-CD1 4.37Å; K161-Y200 HydrophobicContact CG-CD2 3.68Å; K161-Y200 HydrophobicContact CG-CE1 4.26Å; K161-Y200 HydrophobicContact CG-CE2 3.53Å; K161-Y200 HydrophobicContact CG-CG 4.13Å
162T94.6Very high96.1Very high104 Ų10451.8 Ų51.864%0.63829%0.287SS*.  trans-125.3-36.9-176.550.60000113.1D160 I164D160-T162 PolarHBondContact O-N 2.82Å; D160-T162 VanDerWaalsContact O-N 3.15Å; D160-T162 PolarHBondContact OD1-N 3.25Å; D160-T162 PolarHBondContact OD1-OG1 3.12Å; D160-T162 PolarHBondContact OD2-OG1 3.05Å; T162-I164 PolarHBondContact O-N 3.39Å
163T97.5Very high95.8Very high73 Ų7357 Ų5745%0.44832%0.319SS..  trans-72.9118.4179.3-65.40000109.7L157 A158 D160L157-T163 CarbonylContact C-O 3.59Å; L157-T163 VanDerWaalsContact CA-O 3.3Å; L157-T163 WeakPolarHBondContact CA-O 3.32Å; A158-T163 HydrophobicContact CB-CG2 4.22Å; A158-T163 PolarHBondContact N-O 2.91Å; D160-T163 WeakPolarHBondContact OD1-CB 3.15Å; D160-T163 PolarHBondContact OD1-N 3.2Å; D160-T163 WeakPolarHBondContact OD2-CB 3.37Å; D160-T163 PolarHBondContact OD2-N 2.81Å; D160-T163 PolarHBondContact OD2-OG1 3.06Å
164I97.8Very high95.4Very high85 Ų8555.5 Ų55.544%0.43631%0.312SS..EExtended strand (participates in β ladder)trans-85.3117.6178.2-58.2171.2000108.7K155 L157 T162 S166 L167K155-I164 HydrophobicContact CB-CG2 4.49Å; K155-I164 HydrophobicContact CD-CD1 4.03Å; K155-I164 HydrophobicContact CD-CG1 4.33Å; K155-I164 HydrophobicContact CG-CD1 4.44Å; L157-I164 HydrophobicContact CD2-CB 4.43Å; L157-I164 HydrophobicContact CD2-CG1 3.76Å; T162-I164 PolarHBondContact O-N 3.39Å; I164-S166 WeakPolarHBondContact CG2-O 3.44Å; I164-L167 HydrophobicContact CG2-CB 4.09Å
165I97Very high94.8Very high51 Ų5160 Ų6026%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-88.1-41.8176.2-67.1168.7000110.2L156 A158 Y194 G197 V198L156-I165 PolarHBondContact O-N 2.79Å; A158-I165 HydrophobicContact CB-CD1 3.91Å; A158-I165 HydrophobicContact CB-CG1 4.37Å; I165-Y194 WeakPolarHBondContact CG2-O 3.43Å; I165-G197 WeakPolarHBondContact CD1-O 3.47Å; I165-V198 HydrophobicContact CB-CG2 4.04Å; I165-V198 HydrophobicContact CD1-CB 4.25Å; I165-V198 HydrophobicContact CD1-CG2 3.62Å; I165-V198 VanDerWaalsContact CD1-N 3.3Å; I165-V198 HydrophobicContact CG1-CG2 4.44Å; I165-V198 HydrophobicContact CG2-CG2 3.75Å
166S96.8Very high94.2Very high35 Ų3560.9 Ų60.925%0.24534%0.343CS..EExtended strand (participates in β ladder)trans-146.9148.8174.9-168.60000110.3K155 L156 I164 F191K155-S166 CarbonylContact C-O 3.56Å; K155-S166 WeakPolarHBondContact CA-O 3.01Å; L156-S166 PolarHBondContact N-O 2.94Å; L156-S166 PolarHBondContact O-N 2.83Å; I164-S166 WeakPolarHBondContact CG2-O 3.44Å; S166-F191 WeakPolarHBondContact OG-CD1 3.48Å; S166-F191 WeakPolarHBondContact OG-CE1 3.13Å
167L96.1Very high93.6Very high91 Ų9165.5 Ų65.548%0.47638%0.375SS..EExtended strand (participates in β ladder)trans-134.2130.1-179170.568.3000108.8V154 K155 I164V154-L167 WeakPolarHBondContact O-CA 3.48Å; K155-L167 HydrophobicContact CD-CD1 4.47Å; K155-L167 HydrophobicContact CG-CD1 3.52Å; I164-L167 HydrophobicContact CG2-CB 4.09Å
168H95.9Very high92.7Very high32 Ų3269.2 Ų69.215%0.14840%0.398CS..EExtended strand (participates in β ladder)trans-113.6138.3165-179.568.8000109.3V154 V187 H189 F191V154-H168 PolarHBondContact N-O 2.84Å; V154-H168 PolarHBondContact O-N 2.78Å; H168-V187 WeakPolarHBondContact NE2-CG1 3.48Å; H168-H189 AromaticContact CD2-CG 3.98Å; H168-H189 AromaticContact CE1-CG 3.91Å; H168-H189 AromaticContact CE1-ND1 3.82Å; H168-H189 AromaticContact CG-CD2 3.57Å; H168-H189 AromaticContact CG-CG 3.54Å; H168-H189 AromaticContact CG-ND1 3.92Å; H168-H189 AromaticContact CG-NE2 3.96Å; H168-H189 AromaticContact ND1-CD2 3.83Å; H168-H189 AromaticContact ND1-CE1 3.67Å; H168-H189 AromaticContact ND1-CG 3.5Å; H168-H189 AromaticContact ND1-ND1 3.39Å; H168-H189 PolarHBondContact ND1-ND1 2.6Å; H168-H189 AromaticContact ND1-NE2 3.92Å; H168-F191 HydrophobicContact CB-CE1 3.9Å; H168-F191 HydrophobicContact CB-CE2 4.28Å; H168-F191 HydrophobicContact CB-CZ 3.43Å; H168-F191 VanDerWaalsContact CB-CZ 3.43Å
169T95.1Very high92Very high68 Ų6873.4 Ų73.442%0.41741%0.411SS..EExtended strand (participates in β ladder)trans-137.6135.8174.1-67.10000109.3L152 H153L152-T169 CarbonylContact O-C 3.58Å; L152-T169 VanDerWaalsContact O-CA 3.23Å; L152-T169 WeakPolarHBondContact O-CA 3.23Å; H153-T169 VanDerWaalsContact CE1-CG2 3.41Å; H153-T169 WeakPolarHBondContact CE1-CG2 3.34Å; H153-T169 WeakPolarHBondContact ND1-CG2 3.22Å; H153-T169 PolarHBondContact ND1-OG1 3.04Å
170A92.9Very high91.3Very high15 Ų1572.1 Ų72.112%0.12440%0.398CS..EExtended strand (participates in β ladder)trans-133.9135173.900000110.5E151 L152 V186 V187E151-A170 CarbonylContact C-O 3.55Å; E151-A170 WeakPolarHBondContact CA-O 3.33Å; L152-A170 HydrophobicContact CB-CB 4.42Å; L152-A170 PolarHBondContact N-O 2.51Å; L152-A170 PolarHBondContact O-N 2.73Å; A170-V186 HydrophobicContact CB-CG1 4.43Å; A170-V187 HydrophobicContact CB-CG2 3.27Å
171K93Very high90.8Very high104 Ų10469.6 Ų69.645%0.45238%0.384SS..  trans-138.278.7176.6-179.5170.1-179.6157.60107.4E151E151-K171 HydrophobicContact CG-CB 4.44Å; E151-K171 HydrophobicContact CG-CD 4.06Å; E151-K171 HydrophobicContact CG-CG 4.03Å; E151-K171 WeakPolarHBondContact OE1-CD 3.46Å; E151-K171 VanDerWaalsContact OE1-CE 3.27Å; E151-K171 WeakPolarHBondContact OE1-CE 3.38Å; E151-K171 IonicContact OE1-NZ 2.86Å; E151-K171 PolarHBondContact OE1-NZ 2.88Å
172P90.9Very high90.6Very high32 Ų3268.5 Ų68.521%0.20838%0.383CS..  trans-61.3148.7177.127.6-34.1000110.1Y140 Y150 V186Y140-P172 HydrophobicContact CE1-CG 4.17Å; Y140-P172 WeakPolarHBondContact OH-CB 3.34Å; Y140-P172 WeakPolarHBondContact OH-CG 3.17Å; Y150-P172 HydrophobicContact CD1-CG 4.21Å; P172-V186 HydrophobicContact CG-CG1 4.12Å
173T89.9Confident90.5Very high110 Ų11064.8 Ų64.868%0.67536%0.357SS*.  trans-107.8141.5174.7550000110.4D147D147-T173 CarbonylContact O-C 3.56Å; D147-T173 WeakPolarHBondContact O-CA 3.44Å; D147-T173 WeakPolarHBondContact O-CB 3.41Å
174E87.9Confident90.1Very high14 Ų1464.3 Ų64.37%0.06535%0.349CS..  trans-92.7142.6-179.6-60-51.2127.700112Y140 E142 D147 I149 L176 K184Y140-E174 WeakPolarHBondContact CE2-OE1 3.43Å; Y140-E174 PolarHBondContact OH-OE1 3.36Å; E142-E174 WeakPolarHBondContact CG-OE2 3.34Å; D147-E174 PolarHBondContact O-N 2.83Å; I149-E174 HydrophobicContact CD1-CG 3.9Å; I149-E174 HydrophobicContact CG1-CG 3.84Å; I149-E174 HydrophobicContact CG2-CG 4.47Å; E174-L176 HydrophobicContact CB-CD2 4.4Å; E174-K184 IonicContact OE1-NZ 2.77Å; E174-K184 IonicContact OE2-NZ 3.53Å; E174-K184 PolarHBondContact OE2-NZ 2.79Å
175N86.2Confident89.6Confident93 Ų9364.4 Ų64.450%0.49735%0.348SS..  trans-93.497.8165.8-177.9-7.7000108.9S177 V178N175-S177 PolarHBondContact ND2-OG 2.89Å; N175-S177 PolarHBondContact O-N 2.86Å; N175-S177 WeakPolarHBondContact OD1-CB 3.33Å; N175-S177 PolarHBondContact OD1-N 3.3Å; N175-S177 PolarHBondContact OD1-OG 3.29Å; N175-V178 PolarHBondContact O-N 2.66Å
176L85.8Confident88.4Confident79 Ų7963 Ų6341%0.41434%0.342SS..THydrogen-bonded Turntrans-61-12.6-178.6-60-178.8000114.4Q144 E174Q144-L176 HydrophobicContact CB-CD2 4.32Å; Q144-L176 PolarHBondContact NE2-O 3.13Å; Q144-L176 WeakPolarHBondContact O-CD2 3.45Å; E174-L176 HydrophobicContact CB-CD2 4.4Å
177S85.4Confident86.9Confident96 Ų9662.4 Ų62.467%0.67134%0.337SS*.THydrogen-bonded Turntrans-84.1-12.7175.569.20000114.2N175N175-S177 PolarHBondContact ND2-OG 2.89Å; N175-S177 PolarHBondContact O-N 2.86Å; N175-S177 WeakPolarHBondContact OD1-CB 3.33Å; N175-S177 PolarHBondContact OD1-N 3.3Å; N175-S177 PolarHBondContact OD1-OG 3.29Å
178V80.4Confident86.1Confident87 Ų8761.6 Ų61.653%0.52734%0.338SS..  trans-126.8100.3-175.2-177.60000109.1N175N175-V178 PolarHBondContact O-N 2.66Å
179Y83.1Confident85.9Confident106 Ų10662.5 Ų62.542%0.41634%0.342SS..  trans-88.8127.4171.4-173.6-128.1000110.4E142 Q144 H181E142-Y179 WeakPolarHBondContact OE2-CD2 3.27Å; Q144-Y179 HydrophobicContact CG-CD2 3.89Å; Q144-Y179 HydrophobicContact CG-CG 4.26Å; Y179-H181 HydrophobicContact CD1-CB 4.44Å; Y179-H181 HydrophobicContact CE1-CB 3.7Å; Y179-H181 HydrophobicContact CE2-CB 4.12Å; Y179-H181 AromaticContact CZ-CG 3.86Å; Y179-H181 AromaticContact CZ-ND1 3.75Å; Y179-H181 PolarHBondContact OH-ND1 3.35Å
180S81.6Confident85.9Confident44 Ų4461.9 Ų61.931%0.30834%0.338SS..  trans-113.2-24.3-177.467.30000113E142 N182E142-S180 WeakPolarHBondContact OE2-CA 3.12Å; E142-S180 PolarHBondContact OE2-N 2.87Å; E142-S180 PolarHBondContact OE2-OG 3.48Å; S180-N182 PolarHBondContact O-N 2.83Å; S180-N182 PolarHBondContact O-ND2 3.48Å
181H84.8Confident86Confident27 Ų2761.3 Ų61.313%0.12533%0.333CS..  trans47.240.5-174.7-163.748.3000113P56 E141 E142 Y179P56-H181 PolarHBondContact O-CE1 3.32Å; E141-H181 IonicContact OE1-CE1 2.73Å; E141-H181 PolarHBondContact OE1-CE1 2.92Å; E141-H181 IonicContact OE1-ND1 3.58Å; E141-H181 PolarHBondContact OE1-ND1 3.24Å; E141-H181 VanDerWaalsContact OE1-ND1 3.12Å; E142-H181 PolarHBondContact OE2-N 3.04Å; E142-H181 VanDerWaalsContact OE2-N 3.08Å; Y179-H181 HydrophobicContact CD1-CB 4.44Å; Y179-H181 HydrophobicContact CE1-CB 3.7Å; Y179-H181 HydrophobicContact CE2-CB 4.12Å; Y179-H181 AromaticContact CZ-CG 3.86Å; Y179-H181 AromaticContact CZ-ND1 3.75Å; Y179-H181 PolarHBondContact OH-ND1 3.35Å
182N89.5Confident86Confident93 Ų9358.7 Ų58.750%0.49733%0.328SS..SBendtrans-120.4155.9-178.7-76.4-57.9000110.5E142 S180 K184E142-N182 PolarHBondContact N-O 3.05Å; S180-N182 PolarHBondContact O-N 2.83Å; S180-N182 PolarHBondContact O-ND2 3.48Å; N182-K184 PolarHBondContact O-N 3.34Å
183W92Very high86Confident25 Ų2559.9 Ų59.910%0.09534%0.337CS..EExtended strand (participates in β ladder)trans-65.5125.4164.7-65.2113.4000109.8F49 S50 T53 P55 W139 E141 R219 T221F49-W183 HydrophobicContact CB-CH2 3.99Å; F49-W183 HydrophobicContact CB-CZ2 3.72Å; F49-W183 HydrophobicContact CD2-CH2 4.34Å; F49-W183 HydrophobicContact CG-CH2 4.42Å; F49-W183 HydrophobicContact CG-CZ2 4.24Å; S50-W183 PolarHBondContact O-NE1 3.42Å; T53-W183 PolarHBondContact O-NE1 3.41Å; P55-W183 HydrophobicContact CB-CZ2 4.36Å; P55-W183 HydrophobicContact CG-CD2 4.07Å; P55-W183 HydrophobicContact CG-CG 4.1Å; P55-W183 HydrophobicContact CG-CZ2 4.36Å; W139-W183 HydrophobicContact CB-CE3 4.48Å; W139-W183 HydrophobicContact CE3-CB 3.72Å; W139-W183 HydrophobicContact CZ3-CB 4.23Å; E141-W183 HydrophobicContact CB-CE3 4.24Å; E141-W183 HydrophobicContact CB-CH2 4.47Å; E141-W183 HydrophobicContact CB-CZ3 3.94Å; W183-R219 HydrophobicContact CH2-CB 4.19Å; W183-R219 HydrophobicContact CZ3-CB 4.38Å; W183-T221 HydrophobicContact CD2-CG2 3.92Å; W183-T221 HydrophobicContact CE3-CG2 3.71Å; W183-T221 HydrophobicContact CH2-CG2 3.76Å; W183-T221 HydrophobicContact CZ2-CG2 3.95Å; W183-T221 HydrophobicContact CZ3-CG2 3.63Å
184K89.8Confident86.2Confident64 Ų6455.5 Ų55.528%0.27831%0.308SS..EExtended strand (participates in β ladder)trans-99.7126.3170.3-73.9-176.8173.3175.50109.1W139 Y140 E142 E174 N182 V186W139-K184 WeakPolarHBondContact CA-O 3.25Å; Y140-K184 HydrophobicContact CD1-CB 3.91Å; Y140-K184 WeakPolarHBondContact CD1-O 3.5Å; Y140-K184 HydrophobicContact CE1-CB 3.47Å; Y140-K184 VanDerWaalsContact CE1-CB 3.47Å; Y140-K184 HydrophobicContact CE1-CD 4.4Å; Y140-K184 HydrophobicContact CE2-CB 4.44Å; Y140-K184 HydrophobicContact CE2-CD 4.27Å; Y140-K184 PolarHBondContact N-O 3.28Å; Y140-K184 VanDerWaalsContact N-O 3.07Å; Y140-K184 PolarHBondContact O-N 2.75Å; Y140-K184 WeakPolarHBondContact OH-CD 3.38Å; E142-K184 HydrophobicContact CB-CD 3.81Å; E142-K184 HydrophobicContact CB-CG 4.13Å; E142-K184 HydrophobicContact CG-CD 4.12Å; E142-K184 VanDerWaalsContact CG-CE 3.44Å; E142-K184 VanDerWaalsContact CG-NZ 3.28Å; E174-K184 IonicContact OE1-NZ 2.77Å; E174-K184 IonicContact OE2-NZ 3.53Å; E174-K184 PolarHBondContact OE2-NZ 2.79Å; N182-K184 PolarHBondContact O-N 3.34Å; K184-V186 PolarHBondContact O-N 2.7Å
185E88.3Confident86.5Confident87 Ų8755.8 Ų55.841%0.40732%0.315SS..EExtended strand (participates in β ladder)trans-66.5114.5165.1-170.2177.2-176.500107W139 S188W139-E185 HydrophobicContact CD2-CB 4.14Å; W139-E185 HydrophobicContact CE3-CB 4Å; W139-E185 VanDerWaalsContact CE3-N 3.29Å; W139-E185 HydrophobicContact CH2-CB 3.75Å; W139-E185 HydrophobicContact CH2-CG 4.35Å; W139-E185 HydrophobicContact CZ2-CB 3.82Å; W139-E185 HydrophobicContact CZ2-CG 3.93Å; W139-E185 HydrophobicContact CZ3-CB 3.83Å; E185-S188 WeakPolarHBondContact OE1-CB 3.48Å; E185-S188 PolarHBondContact OE1-OG 2.87Å
186V70.2Confident87Confident21 Ų2155.7 Ų55.713%0.12732%0.32CS..EExtended strand (participates in β ladder)trans-66.1-54.2-180-169.90000108.4D138 Y140 Y150 A170 P172 K184D138-V186 HydrophobicContact CB-CG2 4.15Å; D138-V186 WeakPolarHBondContact O-CG2 3.47Å; D138-V186 PolarHBondContact O-N 2.73Å; Y140-V186 HydrophobicContact CD1-CB 4.14Å; Y140-V186 HydrophobicContact CD1-CG2 3.19Å; Y140-V186 HydrophobicContact CE1-CB 4.13Å; Y140-V186 HydrophobicContact CE1-CG1 4.38Å; Y140-V186 HydrophobicContact CE1-CG2 3.66Å; Y140-V186 HydrophobicContact CG-CG2 4.14Å; Y150-V186 HydrophobicContact CD1-CB 4.44Å; Y150-V186 HydrophobicContact CD1-CG1 3.57Å; Y150-V186 HydrophobicContact CD1-CG2 3.96Å; Y150-V186 HydrophobicContact CD2-CG2 4.31Å; Y150-V186 HydrophobicContact CE1-CB 3.95Å; Y150-V186 HydrophobicContact CE1-CG1 3.23Å; Y150-V186 HydrophobicContact CE1-CG2 3.52Å; Y150-V186 HydrophobicContact CE2-CG2 3.9Å; Y150-V186 HydrophobicContact CG-CG2 4.36Å; Y150-V186 VanDerWaalsContact CZ-CG2 3.48Å; A170-V186 HydrophobicContact CB-CG1 4.43Å; P172-V186 HydrophobicContact CG-CG1 4.12Å; K184-V186 PolarHBondContact O-N 2.7Å
187V65.5Low87.4Confident23 Ų2353.1 Ų53.114%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-162.7129.3-169.6177.20000110.1I136 Q137 L152 H168 A170 H189I136-V187 VanDerWaalsContact O-O 3.13Å; Q137-V187 WeakPolarHBondContact CA-O 3.1Å; L152-V187 HydrophobicContact CD2-CB 4.31Å; L152-V187 HydrophobicContact CD2-CG2 4.35Å; H168-V187 WeakPolarHBondContact NE2-CG1 3.48Å; A170-V187 HydrophobicContact CB-CG2 3.27Å; V187-H189 HydrophobicContact CG1-CB 3.41Å; V187-H189 VanDerWaalsContact CG1-CB 3.41Å
188S79.1Confident88Confident74 Ų7448.5 Ų48.552%0.51728%0.28SS..EExtended strand (participates in β ladder)trans-98.782.3153.641.80000109.3I136 E185I136-S188 WeakPolarHBondContact O-CA 3.12Å; E185-S188 WeakPolarHBondContact OE1-CB 3.48Å; E185-S188 PolarHBondContact OE1-OG 2.87Å
189H91.7Very high88.9Confident50 Ų5045.4 Ų45.423%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-90.2137.3178.3-174.667000108.9V135 I136 H168 V187 F191V135-H189 WeakPolarHBondContact CA-O 3.18Å; I136-H189 HydrophobicContact CB-CB 4.41Å; I136-H189 PolarHBondContact N-O 2.78Å; I136-H189 PolarHBondContact O-N 2.71Å; I136-H189 VanDerWaalsContact O-N 3.07Å; H168-H189 AromaticContact CD2-CG 3.98Å; H168-H189 AromaticContact CE1-CG 3.91Å; H168-H189 AromaticContact CE1-ND1 3.82Å; H168-H189 AromaticContact CG-CD2 3.57Å; H168-H189 AromaticContact CG-CG 3.54Å; H168-H189 AromaticContact CG-ND1 3.92Å; H168-H189 AromaticContact CG-NE2 3.96Å; H168-H189 AromaticContact ND1-CD2 3.83Å; H168-H189 AromaticContact ND1-CE1 3.67Å; H168-H189 AromaticContact ND1-CG 3.5Å; H168-H189 AromaticContact ND1-ND1 3.39Å; H168-H189 PolarHBondContact ND1-ND1 2.6Å; H168-H189 AromaticContact ND1-NE2 3.92Å; V187-H189 HydrophobicContact CG1-CB 3.41Å; V187-H189 VanDerWaalsContact CG1-CB 3.41Å; H189-F191 AromaticContact CD2-CD1 3.9Å; H189-F191 AromaticContact CD2-CD2 3.69Å; H189-F191 AromaticContact CD2-CE1 3.8Å; H189-F191 AromaticContact CD2-CE2 3.59Å; H189-F191 AromaticContact CD2-CG 3.86Å; H189-F191 AromaticContact CD2-CZ 3.66Å; H189-F191 AromaticContact NE2-CD1 3.47Å; H189-F191 WeakPolarHBondContact NE2-CD1 3.48Å; H189-F191 AromaticContact NE2-CE1 3.5Å; H189-F191 WeakPolarHBondContact NE2-CE1 3.41Å; H189-F191 AromaticContact NE2-CG 3.81Å; H189-F191 AromaticContact NE2-CZ 3.87Å
190V95.3Very high89.6Confident55 Ų5541.9 Ų41.933%0.33325%0.245SC..EExtended strand (participates in β ladder)trans-119.9113.4176-175.40000107.7E133 V135 S192E133-V190 HydrophobicContact CB-CG1 3.7Å; E133-V190 HydrophobicContact CG-CG1 3.58Å; V135-V190 HydrophobicContact CG1-CG2 4.32Å; V135-V190 HydrophobicContact CG2-CG1 4.33Å; V135-V190 HydrophobicContact CG2-CG2 4.13Å; V190-S192 PolarHBondContact O-N 3.02Å
191F95.3Very high90.4Very high4 Ų439.8 Ų39.82%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-78.2116.5165.6-64-82.4000108.5E133 I134 I136 V154 L156 S166 H168 H189 Y194E133-F191 WeakPolarHBondContact CA-O 3.43Å; I134-F191 HydrophobicContact CB-CB 4.25Å; I134-F191 HydrophobicContact CB-CD2 4.42Å; I134-F191 PolarHBondContact N-O 3.33Å; I134-F191 PolarHBondContact O-N 2.99Å; I136-F191 HydrophobicContact CD1-CD2 4.5Å; I136-F191 HydrophobicContact CD1-CE2 4.25Å; I136-F191 HydrophobicContact CG1-CD2 4.09Å; I136-F191 HydrophobicContact CG1-CE2 3.77Å; V154-F191 HydrophobicContact CB-CE2 4.18Å; V154-F191 HydrophobicContact CB-CZ 4.23Å; V154-F191 HydrophobicContact CG1-CE2 3.73Å; V154-F191 HydrophobicContact CG1-CZ 4.12Å; L156-F191 HydrophobicContact CD1-CB 3.73Å; L156-F191 HydrophobicContact CD1-CD1 3.8Å; L156-F191 HydrophobicContact CD1-CD2 4.24Å; L156-F191 HydrophobicContact CD1-CE1 4.43Å; L156-F191 HydrophobicContact CD1-CG 3.68Å; L156-F191 HydrophobicContact CD2-CD2 4.03Å; L156-F191 HydrophobicContact CD2-CE2 4.17Å; L156-F191 HydrophobicContact CD2-CG 4.32Å; L156-F191 HydrophobicContact CG-CD1 4.03Å; L156-F191 HydrophobicContact CG-CD2 4.18Å; L156-F191 HydrophobicContact CG-CE1 4.17Å; L156-F191 HydrophobicContact CG-CE2 4.31Å; L156-F191 HydrophobicContact CG-CG 4.02Å; L156-F191 HydrophobicContact CG-CZ 4.3Å; S166-F191 WeakPolarHBondContact OG-CD1 3.48Å; S166-F191 WeakPolarHBondContact OG-CE1 3.13Å; H168-F191 HydrophobicContact CB-CE1 3.9Å; H168-F191 HydrophobicContact CB-CE2 4.28Å; H168-F191 HydrophobicContact CB-CZ 3.43Å; H168-F191 VanDerWaalsContact CB-CZ 3.43Å; H189-F191 AromaticContact CD2-CD1 3.9Å; H189-F191 AromaticContact CD2-CD2 3.69Å; H189-F191 AromaticContact CD2-CE1 3.8Å; H189-F191 AromaticContact CD2-CE2 3.59Å; H189-F191 AromaticContact CD2-CG 3.86Å; H189-F191 AromaticContact CD2-CZ 3.66Å; H189-F191 AromaticContact NE2-CD1 3.47Å; H189-F191 WeakPolarHBondContact NE2-CD1 3.48Å; H189-F191 AromaticContact NE2-CE1 3.5Å; H189-F191 WeakPolarHBondContact NE2-CE1 3.41Å; H189-F191 AromaticContact NE2-CG 3.81Å; H189-F191 AromaticContact NE2-CZ 3.87Å; F191-Y194 HydrophobicContact CB-CD1 4Å
192S93.3Very high91Very high48 Ų4839.7 Ų39.734%0.33623%0.229SC..  trans-129.9155170.966.60000109.4V190 Y194 T232V190-S192 PolarHBondContact O-N 3.02Å; S192-Y194 PolarHBondContact O-N 2.93Å; S192-Y194 VanDerWaalsContact O-N 3.08Å; S192-T232 WeakPolarHBondContact CB-OG1 3.45Å
193S91.9Very high91.5Very high57 Ų5735.2 Ų35.240%0.39921%0.206SC..SBendtrans49.738179.5-56.70000113.7Q131 G195Q131-S193 VanDerWaalsContact OE1-C 3.25Å; Q131-S193 VanDerWaalsContact OE1-CA 3.29Å; S193-G195 PolarHBondContact O-N 2.94Å
194Y94.1Very high91.7Very high19 Ų1935.7 Ų35.78%0.07521%0.209CC..  trans-74-1.9-174.843.2-102000113.9Q131 P132 I134 L156 I165 F191 S192 V198Q131-Y194 WeakPolarHBondContact CA-OH 3.26Å; Q131-Y194 HydrophobicContact CB-CE1 4.33Å; Q131-Y194 HydrophobicContact CB-CE2 4.1Å; Q131-Y194 HydrophobicContact CG-CD2 4.36Å; Q131-Y194 HydrophobicContact CG-CE2 3.93Å; P132-Y194 VanDerWaalsContact CD-OH 3.26Å; P132-Y194 WeakPolarHBondContact CD-OH 3.38Å; P132-Y194 VanDerWaalsContact O-CE1 3.23Å; P132-Y194 WeakPolarHBondContact O-CE1 3.42Å; P132-Y194 PolarHBondContact O-OH 2.96Å; I134-Y194 HydrophobicContact CD1-CE1 4.08Å; I134-Y194 HydrophobicContact CG1-CE1 4.1Å; L156-Y194 HydrophobicContact CD1-CD1 3.86Å; L156-Y194 HydrophobicContact CD1-CD2 4.27Å; L156-Y194 HydrophobicContact CD1-CG 3.69Å; I165-Y194 WeakPolarHBondContact CG2-O 3.43Å; F191-Y194 HydrophobicContact CB-CD1 4Å; S192-Y194 PolarHBondContact O-N 2.93Å; S192-Y194 VanDerWaalsContact O-N 3.08Å; Y194-V198 HydrophobicContact CD2-CB 4.14Å; Y194-V198 HydrophobicContact CD2-CG2 3.38Å; Y194-V198 HydrophobicContact CE2-CB 4Å; Y194-V198 HydrophobicContact CE2-CG2 3.78Å; Y194-V198 HydrophobicContact CG-CG2 4.22Å
195G93.9Very high92Very high20 Ų2032.6 Ų32.621%0.20620%0.195CC..  trans82.2169.9-176.900000113S193S193-G195 PolarHBondContact O-N 2.94Å
196P95.2Very high92.4Very high91 Ų9130.6 Ų30.659%0.59118%0.184SC*.THydrogen-bonded Turntrans-74.6159.9-178.932-35.8000112.5D128D128-P196 HydrophobicContact CB-CB 3.88Å
197G95.8Very high93.6Very high24 Ų2429.6 Ų29.625%0.24718%0.178CC..THydrogen-bonded Turntrans104.6-4.8168.700000115.1D128 A158 I165 R199D128-G197 WeakPolarHBondContact OD1-CA 2.97Å; D128-G197 PolarHBondContact OD1-N 3.33Å; A158-G197 WeakPolarHBondContact CA-O 3.46Å; I165-G197 WeakPolarHBondContact CD1-O 3.47Å; G197-R199 PolarHBondContact O-N 3.01Å
198V97.9Very high95Very high0 Ų028.6 Ų28.60%017%0.172CC..  trans-65.9127.9179.5177.70000110L117 L127 I134 L156 I165 Y194L117-V198 HydrophobicContact CD1-CG1 3.77Å; L127-V198 WeakPolarHBondContact CD1-O 3.28Å; I134-V198 HydrophobicContact CD1-CG1 4.43Å; L156-V198 HydrophobicContact CB-CG1 4.01Å; L156-V198 HydrophobicContact CB-CG2 3.96Å; L156-V198 HydrophobicContact CD1-CG1 4.41Å; L156-V198 HydrophobicContact CD1-CG2 4.14Å; L156-V198 HydrophobicContact CD2-CG1 4.42Å; I165-V198 HydrophobicContact CB-CG2 4.04Å; I165-V198 HydrophobicContact CD1-CB 4.25Å; I165-V198 HydrophobicContact CD1-CG2 3.62Å; I165-V198 VanDerWaalsContact CD1-N 3.3Å; I165-V198 HydrophobicContact CG1-CG2 4.44Å; I165-V198 HydrophobicContact CG2-CG2 3.75Å; Y194-V198 HydrophobicContact CD2-CB 4.14Å; Y194-V198 HydrophobicContact CD2-CG2 3.38Å; Y194-V198 HydrophobicContact CE2-CB 4Å; Y194-V198 HydrophobicContact CE2-CG2 3.78Å; Y194-V198 HydrophobicContact CG-CG2 4.22Å
199R98Very high95.7Very high22 Ų2225.1 Ų25.18%0.08315%0.147CC..  trans-131.8-24.9178.3-63.6-60.3-179.6-86.40.1113.1L117 D124 D128 L157 A159 G197L117-R199 WeakPolarHBondContact CB-O 3.27Å; L117-R199 PolarHBondContact N-O 2.94Å; D124-R199 IonicContact OD1-CZ 3.46Å; D124-R199 IonicContact OD1-NE 3.87Å; D124-R199 PolarHBondContact OD1-NE 3.13Å; D124-R199 IonicContact OD1-NH2 3.84Å; D124-R199 IonicContact OD2-CZ 2.73Å; D124-R199 IonicContact OD2-NE 3.78Å; D124-R199 PolarHBondContact OD2-NE 2.86Å; D124-R199 IonicContact OD2-NH2 2.88Å; D124-R199 PolarHBondContact OD2-NH2 3.27Å; D128-R199 IonicContact OD1-CZ 2.73Å; D128-R199 IonicContact OD1-NH1 3.6Å; D128-R199 PolarHBondContact OD1-NH1 3.27Å; D128-R199 IonicContact OD1-NH2 3.5Å; D128-R199 IonicContact OD2-CZ 2.76Å; D128-R199 IonicContact OD2-NH1 3.68Å; D128-R199 IonicContact OD2-NH2 2.83Å; D128-R199 PolarHBondContact OD2-NH2 3.41Å; L157-R199 PolarHBondContact O-N 2.83Å; A159-R199 HydrophobicContact CB-CG 4.01Å; G197-R199 PolarHBondContact O-N 3.01Å
200Y98.5Very high95.8Very high32 Ų3223.1 Ų23.113%0.12514%0.139CC..EExtended strand (participates in β ladder)trans-130.8150.6178.9-55.9-91.1000112V114 V115 D116 L157 A158 K161V114-Y200 HydrophobicContact CG1-CD1 3.98Å; V114-Y200 HydrophobicContact CG1-CG 4.36Å; V115-Y200 WeakPolarHBondContact O-CA 3.38Å; D116-Y200 HydrophobicContact CB-CD1 3.9Å; D116-Y200 HydrophobicContact CB-CE1 3.56Å; D116-Y200 WeakPolarHBondContact OD2-CE1 3.23Å; D116-Y200 PolarHBondContact OD2-OH 2.61Å; L157-Y200 PolarHBondContact N-O 3.27Å; L157-Y200 PolarHBondContact O-N 3.35Å; L157-Y200 VanDerWaalsContact O-N 3.11Å; A158-Y200 WeakPolarHBondContact O-CD2 3.36Å; K161-Y200 HydrophobicContact CD-CE1 4.35Å; K161-Y200 HydrophobicContact CD-CE2 4.36Å; K161-Y200 WeakPolarHBondContact CE-OH 3.28Å; K161-Y200 HydrophobicContact CG-CD1 4.37Å; K161-Y200 HydrophobicContact CG-CD2 3.68Å; K161-Y200 HydrophobicContact CG-CE1 4.26Å; K161-Y200 HydrophobicContact CG-CE2 3.53Å; K161-Y200 HydrophobicContact CG-CG 4.13Å
201V98.4Very high95.5Very high0 Ų021.8 Ų21.80%013%0.129CC..EExtended strand (participates in β ladder)trans-114116.3166.3-177.40000107.5V114 V115 L117 I134 I136 V154 K155 L156 V225V114-V201 WeakPolarHBondContact CA-O 3.41Å; V115-V201 HydrophobicContact CB-CB 4.27Å; V115-V201 PolarHBondContact N-O 2.97Å; V115-V201 PolarHBondContact O-N 2.92Å; L117-V201 HydrophobicContact CD1-CG2 4.13Å; L117-V201 HydrophobicContact CD2-CG2 3.92Å; L117-V201 HydrophobicContact CG-CG2 4.23Å; I134-V201 HydrophobicContact CD1-CG2 4.29Å; I134-V201 HydrophobicContact CG2-CG2 4.27Å; I136-V201 HydrophobicContact CD1-CG1 4.5Å; V154-V201 HydrophobicContact CG1-CG1 3.76Å; K155-V201 WeakPolarHBondContact O-CA 3.29Å; L156-V201 HydrophobicContact CD2-CG1 4.35Å; L156-V201 HydrophobicContact CD2-CG2 3.79Å; V201-V225 HydrophobicContact CB-CG1 4.34Å; V201-V225 HydrophobicContact CG1-CG1 4.04Å; V201-V225 HydrophobicContact CG1-CG2 4.19Å; V201-V225 HydrophobicContact CG2-CG1 4.28Å
202H98.4Very high95.1Very high24 Ų2425 Ų2511%0.11115%0.146CC..EExtended strand (participates in β ladder)trans-95.6107.8171.3173.9-72000108.4E112 V114 V154 K155 L157E112-H202 IonicContact OE2-NE2 3.88Å; V114-H202 HydrophobicContact CG2-CB 4.31Å; V154-H202 VanDerWaalsContact CA-O 3.32Å; V154-H202 WeakPolarHBondContact CA-O 3.49Å; K155-H202 HydrophobicContact CB-CB 4.23Å; K155-H202 PolarHBondContact N-O 3.47Å; K155-H202 PolarHBondContact O-N 2.72Å; L157-H202 HydrophobicContact CD1-CB 3.65Å; L157-H202 HydrophobicContact CG-CB 4.31Å
203F97.9Very high94.7Very high0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-99.4125.1176-177.5-78.3000108.8L41 W80 E112 Q113 I136 D138 L152 V154 H205 V225L41-F203 HydrophobicContact CD1-CD1 4.06Å; L41-F203 HydrophobicContact CD1-CD2 3.94Å; L41-F203 HydrophobicContact CD1-CE1 4.23Å; L41-F203 HydrophobicContact CD1-CE2 4.09Å; L41-F203 HydrophobicContact CD1-CG 3.92Å; L41-F203 HydrophobicContact CD1-CZ 4.24Å; L41-F203 HydrophobicContact CD2-CB 3.97Å; L41-F203 HydrophobicContact CD2-CG 4.24Å; W80-F203 AromaticContact CH2-CD1 3.98Å; W80-F203 HydrophobicContact CH2-CD1 3.98Å; W80-F203 AromaticContact CH2-CE1 3.98Å; W80-F203 HydrophobicContact CH2-CE1 3.98Å; W80-F203 AromaticContact CZ3-CD1 3.87Å; W80-F203 HydrophobicContact CZ3-CD1 3.87Å; W80-F203 HydrophobicContact CZ3-CE1 4.17Å; E112-F203 CarbonylContact C-O 3.57Å; E112-F203 VanDerWaalsContact CA-O 3.28Å; E112-F203 WeakPolarHBondContact CA-O 3.28Å; Q113-F203 PolarHBondContact N-O 3.2Å; Q113-F203 PolarHBondContact O-N 3.35Å; I136-F203 HydrophobicContact CG2-CD2 4.19Å; I136-F203 HydrophobicContact CG2-CE2 3.84Å; D138-F203 HydrophobicContact CB-CZ 4.26Å; L152-F203 HydrophobicContact CD1-CD2 4.31Å; L152-F203 HydrophobicContact CD1-CE1 4.24Å; L152-F203 HydrophobicContact CD1-CE2 3.75Å; L152-F203 HydrophobicContact CD1-CZ 3.7Å; V154-F203 HydrophobicContact CG2-CD2 3.84Å; V154-F203 HydrophobicContact CG2-CE2 4.32Å; V154-F203 HydrophobicContact CG2-CG 4.49Å; F203-H205 HydrophobicContact CE1-CB 4.49Å; F203-H205 AromaticContact CE1-ND1 3.84Å; F203-V225 HydrophobicContact CB-CG2 4.36Å; F203-V225 HydrophobicContact CD2-CG2 3.9Å; F203-V225 HydrophobicContact CG-CG2 4.47Å
204Q97.7Very high94.4Very high34 Ų3427.1 Ų27.116%0.15915%0.149CC..EExtended strand (participates in β ladder)trans-141.1130.9175.1179.5-162.4-6200109.7T110 L111 E112 H153T110-Q204 HydrophobicContact CG2-CG 3.62Å; L111-Q204 VanDerWaalsContact O-CA 3.29Å; L111-Q204 WeakPolarHBondContact O-CA 3.32Å; E112-Q204 HydrophobicContact CB-CB 4.08Å; E112-Q204 HydrophobicContact CB-CG 4.1Å; H153-Q204 PolarHBondContact N-O 3.2Å; H153-Q204 PolarHBondContact O-N 3.07Å; H153-Q204 VanDerWaalsContact O-O 3.13Å
205H96Very high94.2Very high0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-124.3161165.360.7-163.5000111.9T110 L111 D138 Y150 E151 L152 F203 F220T110-H205 WeakPolarHBondContact CA-O 3.24Å; L111-H205 WeakPolarHBondContact CD1-NE2 3.47Å; L111-H205 PolarHBondContact N-O 2.81Å; L111-H205 PolarHBondContact O-N 3.19Å; D138-H205 IonicContact OD2-CE1 2.68Å; D138-H205 IonicContact OD2-CG 2.86Å; D138-H205 IonicContact OD2-ND1 2.89Å; D138-H205 PolarHBondContact OD2-ND1 2.59Å; Y150-H205 HydrophobicContact CE2-CB 3.91Å; Y150-H205 AromaticContact CE2-ND1 3.99Å; Y150-H205 WeakPolarHBondContact OH-CB 3.15Å; E151-H205 CarbonylContact O-C 3.44Å; E151-H205 WeakPolarHBondContact O-CA 3.31Å; E151-H205 WeakPolarHBondContact O-CB 3.25Å; L152-H205 HydrophobicContact CD1-CB 4.21Å; F203-H205 HydrophobicContact CE1-CB 4.49Å; F203-H205 AromaticContact CE1-ND1 3.84Å; H205-F220 AromaticContact CE1-CD2 3.17Å; H205-F220 WeakPolarHBondContact CE1-CD2 3.43Å; H205-F220 AromaticContact CE1-CE2 3.23Å; H205-F220 WeakPolarHBondContact CE1-CE2 3.42Å; H205-F220 AromaticContact CE1-CG 3.77Å; H205-F220 AromaticContact CE1-CZ 3.85Å; H205-F220 AromaticContact NE2-CD2 3.89Å; H205-F220 AromaticContact NE2-CE2 3.56Å; H205-F220 AromaticContact NE2-CZ 3.72Å
206R95.8Very high94Very high45 Ų4530.1 Ų30.117%0.1716%0.157CC..EExtended strand (participates in β ladder)trans-131.6136.5178.9-52.5173.768.8-159.48.1108.6E85 W108 F109 T110 Y150 E151E85-R206 IonicContact OE2-NH2 3.42Å; E85-R206 PolarHBondContact OE2-NH2 3.44Å; W108-R206 VanDerWaalsContact CD1-NH2 3.27Å; W108-R206 HydrophobicContact CD2-CB 4.38Å; W108-R206 HydrophobicContact CE3-CB 3.63Å; W108-R206 HydrophobicContact CZ3-CB 4Å; F109-R206 CarbonylContact O-C 3.6Å; F109-R206 WeakPolarHBondContact O-CA 3.26Å; T110-R206 HydrophobicContact CG2-CG 3.98Å; Y150-R206 CarbonylContact C-O 3.58Å; Y150-R206 WeakPolarHBondContact CA-O 3.46Å; E151-R206 HydrophobicContact CB-CB 4.21Å; E151-R206 PolarHBondContact N-O 3.37Å; E151-R206 PolarHBondContact O-N 2.95Å; E151-R206 WeakPolarHBondContact OE2-CD 3.41Å; E151-R206 IonicContact OE2-CZ 3.99Å; E151-R206 IonicContact OE2-NE 3.77Å; E151-R206 IonicContact OE2-NH1 3.24Å; E151-R206 PolarHBondContact OE2-NH1 3.42Å
207L95.2Very high93.8Very high0 Ų027.7 Ų27.70%014%0.141CC..EExtended strand (participates in β ladder)trans-120.2127.2-176.3-54.4169.4000108W108 F109 L111 Y150 T218 F220W108-L207 WeakPolarHBondContact CA-O 3.38Å; F109-L207 HydrophobicContact CD1-CD1 4.43Å; F109-L207 PolarHBondContact N-O 2.73Å; F109-L207 PolarHBondContact O-N 3Å; L111-L207 HydrophobicContact CD1-CD1 3.83Å; L111-L207 HydrophobicContact CD1-CG 4.47Å; Y150-L207 HydrophobicContact CD2-CD2 3.48Å; Y150-L207 VanDerWaalsContact CD2-CD2 3.48Å; Y150-L207 HydrophobicContact CE2-CD2 3.87Å; L207-T218 HydrophobicContact CD2-CG2 4.09Å; L207-F220 HydrophobicContact CD1-CB 4.41Å; L207-F220 HydrophobicContact CD1-CD1 3.23Å; L207-F220 HydrophobicContact CD1-CE1 3.66Å; L207-F220 HydrophobicContact CD1-CG 4.07Å; L207-F220 HydrophobicContact CD2-CB 4.15Å; L207-F220 HydrophobicContact CD2-CD1 4.45Å; L207-F220 HydrophobicContact CG-CD1 4.41Å
208K95.1Very high93.6Very high2 Ų226.6 Ų26.61%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-87.2123.9177.9-157.5170.7-177175.60108.5Y106 S107 W108 L145 H146 Y148 I149 T218Y106-K208 HydrophobicContact CD1-CG 4.49Å; S107-K208 WeakPolarHBondContact O-CA 3.49Å; W108-K208 HydrophobicContact CD2-CB 4.41Å; W108-K208 HydrophobicContact CD2-CG 4.45Å; W108-K208 HydrophobicContact CE3-CB 3.92Å; W108-K208 HydrophobicContact CE3-CG 4.44Å; W108-K208 HydrophobicContact CH2-CB 3.85Å; W108-K208 HydrophobicContact CH2-CD 4.24Å; W108-K208 HydrophobicContact CH2-CG 4.34Å; W108-K208 HydrophobicContact CZ2-CB 4.35Å; W108-K208 HydrophobicContact CZ2-CD 4.06Å; W108-K208 HydrophobicContact CZ2-CG 4.36Å; W108-K208 HydrophobicContact CZ3-CB 3.61Å; W108-K208 HydrophobicContact CZ3-CG 4.39Å; W108-K208 VanDerWaalsContact CZ3-N 3.35Å; L145-K208 HydrophobicContact CD2-CB 4.37Å; L145-K208 HydrophobicContact CD2-CG 4.2Å; H146-K208 HydrophobicContact CB-CD 3.95Å; H146-K208 PolarHBondContact CD2-NZ 3.24Å; H146-K208 PolarHBondContact CE1-NZ 3.17Å; H146-K208 PolarHBondContact ND1-NZ 2.84Å; H146-K208 VanDerWaalsContact ND1-NZ 3.12Å; H146-K208 PolarHBondContact NE2-NZ 2.86Å; Y148-K208 HydrophobicContact CD2-CD 4.33Å; Y148-K208 HydrophobicContact CE2-CD 4.15Å; Y148-K208 VanDerWaalsContact CE2-NZ 3.26Å; Y148-K208 VanDerWaalsContact O-CD 3.23Å; Y148-K208 WeakPolarHBondContact O-CD 3.28Å; Y148-K208 PolarHBondContact OH-NZ 2.83Å; I149-K208 HydrophobicContact CB-CB 4.35Å; I149-K208 PolarHBondContact O-N 2.87Å; K208-T218 VanDerWaalsContact O-CB 3.29Å; K208-T218 WeakPolarHBondContact O-CB 3.44Å; K208-T218 PolarHBondContact O-OG1 3.18Å
209N94.7Very high93.4Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-114.1161.3175.7-49.6-40.9000109.1F71 Y106 S107 F109 F215 F216 P217 T218F71-N209 PolarHBondContact O-ND2 3.23Å; Y106-N209 CarbonylContact C-O 3.59Å; Y106-N209 VanDerWaalsContact CA-O 3.27Å; Y106-N209 WeakPolarHBondContact CA-O 3.39Å; S107-N209 PolarHBondContact N-O 2.91Å; S107-N209 PolarHBondContact O-N 2.84Å; F109-N209 WeakPolarHBondContact CB-ND2 3.3Å; N209-F215 HydrophobicContact CB-CE2 3.61Å; N209-F215 HydrophobicContact CB-CZ 3.78Å; N209-F216 WeakPolarHBondContact CA-O 3.38Å; N209-P217 WeakPolarHBondContact OD1-CA 3.25Å; N209-T218 PolarHBondContact OD1-N 3.17Å
210S92.8Very high93.1Very high9 Ų927.6 Ų27.66%0.06313%0.133CC..EExtended strand (participates in β ladder)trans-132.1140177.6-176.40000109.8P104 F216P104-S210 WeakPolarHBondContact CB-OG 3.39Å; S210-F216 PolarHBondContact N-O 3.22Å; S210-F216 PolarHBondContact O-N 3.33Å
211F90.4Very high92.9Very high26 Ų2626 Ų2611%0.11413%0.127CC..EExtended strand (participates in β ladder)trans-124.9129.1168.1-173.1-85.1000109.5P69 R70 F71 Q105 D214 F215P69-F211 HydrophobicContact CB-CD1 3.53Å; P69-F211 HydrophobicContact CB-CD2 4.21Å; P69-F211 HydrophobicContact CB-CE1 3.6Å; P69-F211 HydrophobicContact CB-CE2 4.27Å; P69-F211 HydrophobicContact CB-CG 3.86Å; P69-F211 HydrophobicContact CB-CZ 3.98Å; P69-F211 HydrophobicContact CG-CD1 3.97Å; P69-F211 HydrophobicContact CG-CE1 3.66Å; P69-F211 HydrophobicContact CG-CZ 4.21Å; R70-F211 HydrophobicContact CB-CD2 4.47Å; F71-F211 HydrophobicContact CE1-CB 4.29Å; Q105-F211 PolarHBondContact N-O 2.91Å; Q105-F211 PolarHBondContact O-N 3.29Å; F211-D214 WeakPolarHBondContact CA-O 3.32Å; F211-F215 HydrophobicContact CD2-CB 4.06Å; F211-F215 HydrophobicContact CD2-CD2 4.4Å
212L86.5Confident92.7Very high73 Ų7327.9 Ų27.938%0.38214%0.137SC..SBendtrans-131.8-78.7168.517563.1000109.8L103 D214L103-L212 WeakPolarHBondContact O-CD1 3.37Å; L212-D214 PolarHBondContact N-O 3.24Å
213N84.3Confident92.6Very high114 Ų11426.7 Ų26.761%0.6113%0.132SC*.SBendtrans-109.1-10.2172.8-63.2-31.9000111.5P65P65-N213 VanDerWaalsContact CD-O 3.32Å; P65-N213 WeakPolarHBondContact CD-O 3.23Å
214D86.7Confident92.5Very high34 Ų3427.1 Ų27.118%0.18214%0.135CC..SBendtrans-153.4169.4175.1-160.63.6000108.8P61 F211 L212 F216P61-D214 WeakPolarHBondContact CD-OD2 3.04Å; P61-D214 WeakPolarHBondContact CG-OD2 3.31Å; F211-D214 WeakPolarHBondContact CA-O 3.32Å; L212-D214 PolarHBondContact N-O 3.24Å; D214-F216 HydrophobicContact CB-CE2 4.14Å; D214-F216 HydrophobicContact CB-CZ 4.08Å; D214-F216 WeakPolarHBondContact O-CD2 3.47Å; D214-F216 WeakPolarHBondContact O-CE2 3.49Å
215F88.8Confident92.5Very high19 Ų1925.5 Ų25.58%0.08313%0.127CC..EExtended strand (participates in β ladder)trans-97.3120.3-179.1-175.9-117.3000111.9R70 Q72 P73 N209 F211 P217R70-F215 HydrophobicContact CB-CB 3.99Å; R70-F215 HydrophobicContact CB-CD1 4.28Å; R70-F215 HydrophobicContact CB-CD2 3.91Å; R70-F215 HydrophobicContact CB-CE2 4.48Å; R70-F215 HydrophobicContact CB-CG 3.78Å; R70-F215 WeakPolarHBondContact O-CD2 3.38Å; R70-F215 VanDerWaalsContact O-CE2 3.31Å; R70-F215 WeakPolarHBondContact O-CE2 3.49Å; Q72-F215 WeakPolarHBondContact O-CE1 3.33Å; P73-F215 HydrophobicContact CB-CE1 4.46Å; N209-F215 HydrophobicContact CB-CE2 3.61Å; N209-F215 HydrophobicContact CB-CZ 3.78Å; F211-F215 HydrophobicContact CD2-CB 4.06Å; F211-F215 HydrophobicContact CD2-CD2 4.4Å; F215-P217 HydrophobicContact CD1-CB 4.39Å; F215-P217 HydrophobicContact CD1-CG 4.33Å; F215-P217 HydrophobicContact CE1-CB 3.69Å; F215-P217 HydrophobicContact CE1-CG 4.08Å; F215-P217 HydrophobicContact CZ-CB 4.12Å; F215-P217 VanDerWaalsContact O-CD 3.26Å; F215-P217 WeakPolarHBondContact O-CD 3.33Å
216F90Very high92.5Very high83 Ų8326.8 Ų26.836%0.36413%0.134SC..EExtended strand (participates in β ladder)trans-110.396.4178.4-57.9-80.8000109.4Y60 L145 N209 S210 D214Y60-F216 HydrophobicContact CE1-CE1 4.02Å; L145-F216 HydrophobicContact CD1-CB 3.93Å; L145-F216 WeakPolarHBondContact CD1-O 3.49Å; N209-F216 WeakPolarHBondContact CA-O 3.38Å; S210-F216 PolarHBondContact N-O 3.22Å; S210-F216 PolarHBondContact O-N 3.33Å; D214-F216 HydrophobicContact CB-CE2 4.14Å; D214-F216 HydrophobicContact CB-CZ 4.08Å; D214-F216 WeakPolarHBondContact O-CD2 3.47Å; D214-F216 WeakPolarHBondContact O-CE2 3.49Å
217P91.6Very high92.5Very high41 Ų4124.6 Ų24.627%0.26613%0.125SC..PPolyproline II helixtrans-81.2141.6176.430.4-32.1000111.8P73 N209 F215P73-P217 HydrophobicContact CB-CB 4.1Å; N209-P217 WeakPolarHBondContact OD1-CA 3.25Å; F215-P217 HydrophobicContact CD1-CB 4.39Å; F215-P217 HydrophobicContact CD1-CG 4.33Å; F215-P217 HydrophobicContact CE1-CB 3.69Å; F215-P217 HydrophobicContact CE1-CG 4.08Å; F215-P217 HydrophobicContact CZ-CB 4.12Å; F215-P217 VanDerWaalsContact O-CD 3.26Å; F215-P217 WeakPolarHBondContact O-CD 3.33Å
218T92Very high92.4Very high1 Ų128.6 Ų28.61%0.00614%0.143CC..PPolyproline II helixtrans-77.7124.6158.2-65.80000108.3I149 L207 K208 N209I149-T218 HydrophobicContact CB-CG2 4.34Å; I149-T218 HydrophobicContact CD1-CG2 4.14Å; I149-T218 HydrophobicContact CG1-CG2 4.3Å; L207-T218 HydrophobicContact CD2-CG2 4.09Å; K208-T218 VanDerWaalsContact O-CB 3.29Å; K208-T218 WeakPolarHBondContact O-CB 3.44Å; K208-T218 PolarHBondContact O-OG1 3.18Å; N209-T218 PolarHBondContact OD1-N 3.17Å
219R91.9Very high92.1Very high42 Ų4230.4 Ų30.416%0.15816%0.155CC..PPolyproline II helixtrans-93.6157.5-178.4-52.5-169.9-173.9131.1-17.5111.3P56 Y140 E141 W183P56-R219 PolarHBondContact O-NH1 3.2Å; Y140-R219 CarbonylContact C-O 3.59Å; Y140-R219 VanDerWaalsContact CA-O 3.28Å; Y140-R219 WeakPolarHBondContact CA-O 3.26Å; Y140-R219 WeakPolarHBondContact CB-O 3.21Å; E141-R219 HydrophobicContact CB-CB 3.95Å; E141-R219 PolarHBondContact N-O 3.47Å; E141-R219 IonicContact OE1-NH1 2.71Å; E141-R219 PolarHBondContact OE1-NH1 2.8Å; E141-R219 WeakPolarHBondContact OE2-CB 3.43Å; E141-R219 WeakPolarHBondContact OE2-CD 3.02Å; E141-R219 WeakPolarHBondContact OE2-CG 3.42Å; E141-R219 IonicContact OE2-CZ 3.34Å; E141-R219 IonicContact OE2-NE 3.12Å; E141-R219 IonicContact OE2-NH1 3.06Å; E141-R219 PolarHBondContact OE2-NH1 2.77Å; W183-R219 HydrophobicContact CH2-CB 4.19Å; W183-R219 HydrophobicContact CZ3-CB 4.38Å
220F93.4Very high91.8Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-147.2162.3176.477.7-77.9000110.8P46 I47 F77 L111 W139 H205 L207P46-F220 HydrophobicContact CG-CE1 4.1Å; P46-F220 HydrophobicContact CG-CE2 3.86Å; P46-F220 HydrophobicContact CG-CZ 3.28Å; I47-F220 HydrophobicContact CD1-CD1 3.72Å; I47-F220 HydrophobicContact CD1-CE1 3.73Å; I47-F220 HydrophobicContact CG1-CE1 4.18Å; F77-F220 HydrophobicContact CE1-CE1 4.22Å; F77-F220 HydrophobicContact CE1-CZ 4.34Å; L111-F220 HydrophobicContact CD1-CE1 3.94Å; L111-F220 HydrophobicContact CD1-CZ 4.11Å; L111-F220 HydrophobicContact CD2-CE1 4Å; L111-F220 HydrophobicContact CD2-CZ 3.56Å; L111-F220 HydrophobicContact CG-CZ 4.46Å; W139-F220 CarbonylContact O-C 3.54Å; W139-F220 WeakPolarHBondContact O-CA 3.18Å; W139-F220 VanDerWaalsContact O-CB 3.31Å; W139-F220 WeakPolarHBondContact O-CB 3.45Å; H205-F220 AromaticContact CE1-CD2 3.17Å; H205-F220 WeakPolarHBondContact CE1-CD2 3.43Å; H205-F220 AromaticContact CE1-CE2 3.23Å; H205-F220 WeakPolarHBondContact CE1-CE2 3.42Å; H205-F220 AromaticContact CE1-CG 3.77Å; H205-F220 AromaticContact CE1-CZ 3.85Å; H205-F220 AromaticContact NE2-CD2 3.89Å; H205-F220 AromaticContact NE2-CE2 3.56Å; H205-F220 AromaticContact NE2-CZ 3.72Å; L207-F220 HydrophobicContact CD1-CB 4.41Å; L207-F220 HydrophobicContact CD1-CD1 3.23Å; L207-F220 HydrophobicContact CD1-CE1 3.66Å; L207-F220 HydrophobicContact CD1-CG 4.07Å; L207-F220 HydrophobicContact CD2-CB 4.15Å; L207-F220 HydrophobicContact CD2-CD1 4.45Å; L207-F220 HydrophobicContact CG-CD1 4.41Å
221T94Very high91.1Very high0 Ų039.9 Ų39.90%020%0.197CC..EExtended strand (participates in β ladder)trans-161.8162.7179.8-173.50000112.2S45 F49 S50 K51 W139 W183 S223S45-T221 PolarHBondContact OG-OG1 3.47Å; F49-T221 VanDerWaalsContact C-OG1 3.24Å; F49-T221 PolarHBondContact O-OG1 3.08Å; S50-T221 WeakPolarHBondContact CA-OG1 3.49Å; K51-T221 HydrophobicContact CB-CG2 4.1Å; W139-T221 HydrophobicContact CB-CG2 3.99Å; W139-T221 WeakPolarHBondContact CB-O 3.3Å; W139-T221 PolarHBondContact N-O 2.77Å; W139-T221 PolarHBondContact O-N 3.47Å; W183-T221 HydrophobicContact CD2-CG2 3.92Å; W183-T221 HydrophobicContact CE3-CG2 3.71Å; W183-T221 HydrophobicContact CH2-CG2 3.76Å; W183-T221 HydrophobicContact CZ2-CG2 3.95Å; W183-T221 HydrophobicContact CZ3-CG2 3.63Å; T221-S223 PolarHBondContact O-N 3.17Å; T221-S223 VanDerWaalsContact O-N 3.13Å
222D94.4Very high90.1Very high38 Ų3841.8 Ų41.820%0.20321%0.211CC..EExtended strand (participates in β ladder)trans55.534.3168.5-62.4-71.2000113.8P44 S45 S50 K51 S224P44-D222 PolarHBondContact O-N 3.03Å; S45-D222 PolarHBondContact OG-N 2.99Å; S50-D222 VanDerWaalsContact CA-OD2 3.24Å; S50-D222 WeakPolarHBondContact CA-OD2 3.2Å; S50-D222 PolarHBondContact OG-OD2 2.71Å; K51-D222 HydrophobicContact CD-CB 4.05Å; K51-D222 HydrophobicContact CG-CB 4.28Å; K51-D222 WeakPolarHBondContact CG-OD2 3.44Å; K51-D222 PolarHBondContact N-OD2 2.81Å; D222-S224 PolarHBondContact O-N 2.98Å
223S95.9Very high88.7Confident0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-59.8130.5173.6-51.60000109.6N39 P44 Q137 D138 T221N39-S223 PolarHBondContact ND2-O 3Å; P44-S223 WeakPolarHBondContact CB-O 3.41Å; P44-S223 PolarHBondContact O-N 2.86Å; Q137-S223 CarbonylContact O-C 3.56Å; D138-S223 WeakPolarHBondContact OD1-CA 3.16Å; D138-S223 WeakPolarHBondContact OD1-CB 3.39Å; D138-S223 PolarHBondContact OD1-OG 2.61Å; T221-S223 PolarHBondContact O-N 3.17Å; T221-S223 VanDerWaalsContact O-N 3.13Å
224S95.9Very high86.8Confident8 Ų841.8 Ų41.86%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-143.6144.1-177.666.90000114.8N39 I136 Q137 D222N39-S224 WeakPolarHBondContact ND2-CB 3.45Å; N39-S224 VanDerWaalsContact OD1-CA 3.25Å; N39-S224 WeakPolarHBondContact OD1-CA 3.45Å; I136-S224 WeakPolarHBondContact CA-O 3.47Å; Q137-S224 WeakPolarHBondContact CB-OG 3.32Å; Q137-S224 PolarHBondContact N-O 2.77Å; Q137-S224 PolarHBondContact O-N 3.01Å; D222-S224 PolarHBondContact O-N 2.98Å
225V97.2Very high84.3Confident0 Ų050 Ų500%026%0.26CS..EExtended strand (participates in β ladder)trans-123.5112.4167.1176.10000106.2N39 L40 L41 I134 V135 I136 V201 F203N39-V225 PolarHBondContact OD1-N 2.97Å; N39-V225 PolarHBondContact OD1-O 3.34Å; L40-V225 HydrophobicContact CB-CB 4.44Å; L40-V225 WeakPolarHBondContact CB-O 3.33Å; L40-V225 WeakPolarHBondContact CG-O 3.19Å; L40-V225 PolarHBondContact N-O 3.02Å; L41-V225 HydrophobicContact CD1-CG2 3.95Å; L41-V225 HydrophobicContact CD2-CB 4.5Å; L41-V225 HydrophobicContact CD2-CG2 3.85Å; L41-V225 HydrophobicContact CG-CB 4.13Å; L41-V225 HydrophobicContact CG-CG2 3.72Å; I134-V225 HydrophobicContact CG2-CG1 3.97Å; V135-V225 WeakPolarHBondContact O-CA 3.33Å; I136-V225 HydrophobicContact CD1-CB 4.39Å; I136-V225 HydrophobicContact CD1-CG1 4.19Å; I136-V225 HydrophobicContact CD1-CG2 3.84Å; V201-V225 HydrophobicContact CB-CG1 4.34Å; V201-V225 HydrophobicContact CG1-CG1 4.04Å; V201-V225 HydrophobicContact CG1-CG2 4.19Å; V201-V225 HydrophobicContact CG2-CG1 4.28Å; F203-V225 HydrophobicContact CB-CG2 4.36Å; F203-V225 HydrophobicContact CD2-CG2 3.9Å; F203-V225 HydrophobicContact CG-CG2 4.47Å
226I96.3Very high81.7Confident27 Ų2759.2 Ų59.214%0.13832%0.317CS..EExtended strand (participates in β ladder)trans-125.2125-175.1-57.8172.4000108.9V135 K228V135-I226 PolarHBondContact N-O 2.84Å; V135-I226 PolarHBondContact O-N 3.44Å; I226-K228 HydrophobicContact CG2-CG 4.23Å
227V95.6Very high81.3Confident0 Ų058.1 Ų58.10%032%0.315CS..EExtended strand (participates in β ladder)trans-92119.9172.8-175.10000108.9L36 G37 L40 L117 L122 P132 E133 I134L36-V227 CarbonylContact C-O 3.58Å; L36-V227 WeakPolarHBondContact CA-O 3.45Å; L36-V227 HydrophobicContact CD2-CB 4.17Å; L36-V227 HydrophobicContact CD2-CG1 3.67Å; G37-V227 PolarHBondContact N-O 3.32Å; L40-V227 HydrophobicContact CD1-CG2 3.82Å; L117-V227 HydrophobicContact CD2-CG2 4.3Å; L122-V227 HydrophobicContact CD1-CB 4.37Å; L122-V227 HydrophobicContact CD1-CG1 4.41Å; L122-V227 HydrophobicContact CD1-CG2 3.86Å; L122-V227 HydrophobicContact CD2-CG1 4.05Å; P132-V227 HydrophobicContact CB-CG1 3.76Å; P132-V227 HydrophobicContact CG-CG1 3.67Å; E133-V227 WeakPolarHBondContact O-CA 3.42Å; I134-V227 HydrophobicContact CG1-CG2 4.27Å
228K93Very high80.7Confident84 Ų8458.9 Ų58.937%0.36532%0.318SS..EExtended strand (participates in β ladder)trans-102.7140.1178.2-66.8-174.1-177.9173.40109.9P132 E133 V135 I226 V230P132-K228 WeakPolarHBondContact CB-O 3.44Å; E133-K228 HydrophobicContact CB-CB 4.42Å; E133-K228 PolarHBondContact N-O 3.18Å; E133-K228 PolarHBondContact O-N 3.06Å; V135-K228 HydrophobicContact CG2-CD 3.74Å; V135-K228 HydrophobicContact CG2-CG 4.04Å; I226-K228 HydrophobicContact CG2-CG 4.23Å; K228-V230 HydrophobicContact CB-CG2 4.35Å; K228-V230 PolarHBondContact O-N 3.12Å
229P89.1Confident80.1Confident39 Ų3962.2 Ų62.225%0.25334%0.335SS..SBendtrans-75.638177.433.3-35.3000112.4W14 L16 L36W14-P229 WeakPolarHBondContact O-CB 3.05Å; W14-P229 WeakPolarHBondContact O-CG 3.46Å; L16-P229 HydrophobicContact CD2-CB 3.63Å; L16-P229 HydrophobicContact CG-CB 4.3Å; L36-P229 HydrophobicContact CD1-CB 4.13Å
230V87.6Confident79.4Confident72 Ų7263.4 Ų63.444%0.43635%0.345SS..  trans-110.8141.2179.7-177.40000107.6E133 K228E133-V230 WeakPolarHBondContact CG-O 3.47Å; E133-V230 PolarHBondContact N-O 3.42Å; K228-V230 HydrophobicContact CB-CG2 4.35Å; K228-V230 PolarHBondContact O-N 3.12Å
231R78.8Confident78.5Confident136 Ų13667.3 Ų67.351%0.51337%0.367SS..  trans-121.1117.3169.8-178.4-175176.8177.10.9108.1F130 S233F130-R231 HydrophobicContact CE1-CB 4.48Å; F130-R231 HydrophobicContact CZ-CB 4.29Å; F130-R231 WeakPolarHBondContact O-CD 3.48Å; R231-S233 PolarHBondContact O-N 2.89Å
232T69.1Low77.5Confident67 Ų6771.8 Ų71.841%0.41139%0.391SS..  trans-77.2109.6165.9-3.40000108.6E133 S192 S234E133-T232 PolarHBondContact OE1-OG1 3.2Å; S192-T232 WeakPolarHBondContact CB-OG1 3.45Å; T232-S234 PolarHBondContact O-N 3.42Å
233S56.6Low76.3Confident93 Ų9374.2 Ų74.265%0.6541%0.405SS*.PPolyproline II helixtrans-71.6117.4164.3-63.50000107.9R231 K235R231-S233 PolarHBondContact O-N 2.89Å; S233-K235 PolarHBondContact O-N 3.19Å
234S44.4Very low74.8Confident94 Ų9479.9 Ų79.966%0.65744%0.436SS*.PPolyproline II helixtrans-52.8118.2165.5-44.90000107.5T232 V236T232-S234 PolarHBondContact O-N 3.42Å; S234-V236 PolarHBondContact O-N 3.18Å; S234-V236 VanDerWaalsContact O-N 3.09Å
235K35.2Very low73Confident207 Ų20785.9 Ų85.990%0.947%0.468SS*.PPolyproline II helixtrans-59.2116.9166.9-77.9-177.6176.7178.10106.4S233S233-K235 PolarHBondContact O-N 3.19Å
236V33.1Very low70.8Confident212 Ų21293.7 Ų93.7100%1.28551%0.51SS*.  trans-630166.5-178.80000108.8S234S234-V236 PolarHBondContact O-N 3.18Å; S234-V236 VanDerWaalsContact O-N 3.09Å

Retrieved 236 of 236 residues in 401.8 ms (Link to these results)

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