A0A077ZFB7_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFB7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 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
1M93.3Very high91.7Very high37 Ų3745.6 Ų45.618%0.18226%0.264CS..  0-66.30-153.861.5-110.700112.7K3 E4 R5 L18 P62 A66 S91 I99 F118M1-K3 PolarHBondContact O-N 3.07Å; M1-E4 HydrophobicContact CE-CB 4.39Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-E4 VanDerWaalsContact O-N 3.09Å; M1-R5 HydrophobicContact CE-CG 3.76Å; M1-R5 PolarHBondContact O-N 3.3Å; M1-L18 HydrophobicContact CG-CD1 3.7Å; M1-P62 HydrophobicContact CB-CB 4.43Å; M1-P62 HydrophobicContact SD-CB 4.09Å; M1-A66 HydrophobicContact CE-CB 3.99Å; M1-S91 WeakPolarHBondContact CE-O 3.06Å; M1-I99 HydrophobicContact CG-CD1 4.23Å; M1-F118 HydrophobicContact CG-CE1 4.42Å; M1-F118 HydrophobicContact SD-CZ 4.43Å
2N91.8Very high91.8Very high57 Ų5741.9 Ų41.931%0.30524%0.243SC..Hα-helixtrans-57.5-30.3-179.4-84.6-17.6000115.2A6 L18 K148N2-A6 PolarHBondContact O-N 3.27Å; N2-L18 PolarHBondContact ND2-O 3.37Å; N2-L18 WeakPolarHBondContact OD1-CB 3.31Å; N2-L18 PolarHBondContact OD1-N 3.07Å; N2-K148 HydrophobicContact CB-CD 4.43Å; N2-K148 VanDerWaalsContact O-CD 3.29Å; N2-K148 WeakPolarHBondContact O-CD 3.44Å; N2-K148 WeakPolarHBondContact O-CE 3.47Å; N2-K148 PolarHBondContact O-NZ 2.76Å
3K89.7Confident92Very high147 Ų14743.8 Ų43.864%0.63925%0.246SC*.Hα-helixtrans-63.4-56.5171179.8-175.8176.2-169.30110.7M1 R5 A6 N7M1-K3 PolarHBondContact O-N 3.07Å; K3-R5 VanDerWaalsContact C-N 3.27Å; K3-R5 PolarHBondContact O-N 2.69Å; K3-A6 WeakPolarHBondContact O-CB 3.35Å; K3-A6 PolarHBondContact O-N 3.33Å; K3-N7 PolarHBondContact O-N 2.94Å
4E94.1Very high92.1Very high47 Ų4741.8 Ų41.822%0.2224%0.235CC..Hα-helixtrans-60.4-35.4-178.4-37.2-41.4125.800113.2M1 A6 N7 P62 A63 A66M1-E4 HydrophobicContact CE-CB 4.39Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-E4 VanDerWaalsContact O-N 3.09Å; E4-A6 VanDerWaalsContact C-N 3.3Å; E4-A6 PolarHBondContact O-N 2.83Å; E4-N7 PolarHBondContact O-N 2.95Å; E4-N7 VanDerWaalsContact O-N 3.12Å; E4-P62 HydrophobicContact CG-CB 4.21Å; E4-A63 HydrophobicContact CG-CB 4.42Å; E4-A66 HydrophobicContact CB-CB 3.37Å; E4-A66 HydrophobicContact CG-CB 4.18Å
5R94.4Very high92.3Very high1 Ų139.1 Ų39.10%0.00422%0.219CC..Hα-helixtrans-61.9-32.1174.7-74172.86686.8-4.7113.7M1 K3 V8 M15 G16 S91 Y93 Y94 K148M1-R5 HydrophobicContact CE-CG 3.76Å; M1-R5 PolarHBondContact O-N 3.3Å; K3-R5 VanDerWaalsContact C-N 3.27Å; K3-R5 PolarHBondContact O-N 2.69Å; R5-V8 WeakPolarHBondContact O-CG1 3.41Å; R5-M15 HydrophobicContact CB-CG 3.96Å; R5-M15 HydrophobicContact CB-SD 3.88Å; R5-M15 HydrophobicContact CG-SD 4.19Å; R5-M15 PolarHBondContact NH2-SD 2.97Å; R5-M15 WeakPolarHBondContact O-CE 3.44Å; R5-M15 WeakPolarHBondContact O-CG 3.44Å; R5-G16 PolarHBondContact NE-O 3.05Å; R5-G16 PolarHBondContact NH2-O 3Å; R5-S91 PolarHBondContact NH1-O 3.27Å; R5-Y93 PolarHBondContact NH1-O 3.39Å; R5-Y93 PolarHBondContact NH2-O 3.21Å; R5-Y94 PolarHBondContact NH2-O 3.35Å; R5-K148 HydrophobicContact CB-CD 4.33Å
6A91.1Very high92.4Very high4 Ų436.8 Ų36.83%0.03321%0.207CC..Hα-helixtrans-70.2-36.6173.700000112N2 K3 E4 V8 Q134 E147 K148N2-A6 PolarHBondContact O-N 3.27Å; K3-A6 WeakPolarHBondContact O-CB 3.35Å; K3-A6 PolarHBondContact O-N 3.33Å; E4-A6 VanDerWaalsContact C-N 3.3Å; E4-A6 PolarHBondContact O-N 2.83Å; A6-V8 VanDerWaalsContact C-N 3.29Å; A6-V8 PolarHBondContact O-N 3.45Å; A6-Q134 PolarHBondContact O-NE2 2.95Å; A6-E147 HydrophobicContact CB-CB 3.93Å; A6-K148 HydrophobicContact CB-CG 4.25Å
7N90.2Very high92.4Very high95 Ų9535.6 Ų35.651%0.50820%0.201SC..THydrogen-bonded Turntrans-88.319.7-171.7-61.7-25.7000113.9K3 E4K3-N7 PolarHBondContact O-N 2.94Å; E4-N7 PolarHBondContact O-N 2.95Å; E4-N7 VanDerWaalsContact O-N 3.12Å
8V92.6Very high92.5Very high5 Ų534.5 Ų34.53%0.0320%0.195CC..  trans-67146.3-175.7-66.40000112.4R5 A6 G10 G11 A12 M15 T92 Y129R5-V8 WeakPolarHBondContact O-CG1 3.41Å; A6-V8 VanDerWaalsContact C-N 3.29Å; A6-V8 PolarHBondContact O-N 3.45Å; V8-G10 PolarHBondContact O-N 3.04Å; V8-G11 PolarHBondContact O-N 3.3Å; V8-A12 HydrophobicContact CG2-CB 3.57Å; V8-M15 HydrophobicContact CG1-CE 3.99Å; V8-M15 HydrophobicContact CG2-CE 3.79Å; V8-T92 HydrophobicContact CG1-CG2 3.6Å; V8-Y129 HydrophobicContact CB-CD1 4.37Å; V8-Y129 HydrophobicContact CB-CE1 3.67Å; V8-Y129 HydrophobicContact CB-CE2 4.21Å; V8-Y129 HydrophobicContact CG1-CE1 4.08Å; V8-Y129 HydrophobicContact CG2-CD1 4.09Å; V8-Y129 HydrophobicContact CG2-CD2 3.99Å; V8-Y129 HydrophobicContact CG2-CE1 3.77Å; V8-Y129 HydrophobicContact CG2-CE2 3.63Å; V8-Y129 HydrophobicContact CG2-CG 4.21Å
9P90.2Very high92.5Very high37 Ų3735.4 Ų35.424%0.2421%0.207CC..THydrogen-bonded Turntrans-53.4121.7-175.2-25.229.4000114.1P68 T74 Y129 K131P9-P68 HydrophobicContact CG-CG 3.77Å; P9-T74 HydrophobicContact CB-CG2 4.27Å; P9-Y129 WeakPolarHBondContact CD-OH 3.29Å; P9-Y129 PolarHBondContact O-OH 3.12Å; P9-K131 VanDerWaalsContact O-CE 3.31Å; P9-K131 WeakPolarHBondContact O-CE 3.41Å
10G90.3Very high92.6Very high59 Ų5940.5 Ų40.561%0.60822%0.223SC*.THydrogen-bonded Turntrans81.87.5-179.900000115.4V8 G132V8-G10 PolarHBondContact O-N 3.04Å; G10-G132 PolarHBondContact O-N 3.42Å
11G90.6Very high92.7Very high13 Ų1339.4 Ų39.413%0.13422%0.216CC..  trans71.4160.9-176.800000112.8V8 K131 G132V8-G11 PolarHBondContact O-N 3.3Å; G11-K131 WeakPolarHBondContact O-CA 3.4Å; G11-G132 CarbonylContact C-O 3.18Å; G11-G132 WeakPolarHBondContact CA-O 3.4Å; G11-G132 PolarHBondContact O-N 2.94Å
12A93.6Very high92.7Very high1 Ų140.2 Ų40.21%0.00823%0.229CC..BIsolated β-bridgetrans-133.3118.4-178.900000112.2V8 N14 M15 Y129 E130 G132 Q134 C135V8-A12 HydrophobicContact CG2-CB 3.57Å; A12-N14 VanDerWaalsContact C-N 3.29Å; A12-N14 PolarHBondContact O-N 2.76Å; A12-M15 HydrophobicContact CB-CB 3.72Å; A12-M15 HydrophobicContact CB-CE 3.79Å; A12-Y129 HydrophobicContact CB-CD2 3.53Å; A12-Y129 HydrophobicContact CB-CE2 4.24Å; A12-Y129 HydrophobicContact CB-CG 3.9Å; A12-E130 CarbonylContact C-O 3.59Å; A12-E130 WeakPolarHBondContact CA-O 3.35Å; A12-G132 PolarHBondContact N-O 2.95Å; A12-Q134 WeakPolarHBondContact O-CA 3.16Å; A12-C135 PolarHBondContact O-N 2.96Å
13K94.3Very high92.8Very high67 Ų6738.6 Ų38.629%0.29122%0.222SC..THydrogen-bonded Turntrans-64.8-32.8-177.3-59.5-180171.1162.70113.6E130 K131 S133 C135 S136 S137K13-E130 HydrophobicContact CB-CB 4.33Å; K13-E130 HydrophobicContact CD-CB 4.3Å; K13-E130 PolarHBondContact N-O 3.31Å; K13-K131 WeakPolarHBondContact CE-O 3.45Å; K13-S133 WeakPolarHBondContact CA-O 3.37Å; K13-C135 CarbonylContact O-C 3.45Å; K13-C135 VanDerWaalsContact O-CA 3.23Å; K13-C135 WeakPolarHBondContact O-CA 3.42Å; K13-C135 PolarHBondContact O-N 2.75Å; K13-S136 WeakPolarHBondContact CB-OG 3.42Å; K13-S136 VanDerWaalsContact CG-OG 3.26Å; K13-S136 WeakPolarHBondContact CG-OG 3.18Å; K13-S136 PolarHBondContact O-N 2.98Å; K13-S137 CarbonylContact O-C 3.41Å; K13-S137 PolarHBondContact O-N 2.86Å
14N93.5Very high93.1Very high15 Ų1531.7 Ų31.78%0.0819%0.192CC..THydrogen-bonded Turntrans-125.118.9-164.864.2-5.9000113.1A12 G16 Y94 E130A12-N14 VanDerWaalsContact C-N 3.29Å; A12-N14 PolarHBondContact O-N 2.76Å; N14-G16 PolarHBondContact O-N 2.93Å; N14-Y94 HydrophobicContact CB-CD2 4.24Å; N14-Y94 WeakPolarHBondContact OD1-CB 3.47Å; N14-E130 WeakPolarHBondContact ND2-CG 3.3Å; N14-E130 PolarHBondContact ND2-OE1 3.07Å; N14-E130 PolarHBondContact OD1-N 3.38Å; N14-E130 VanDerWaalsContact OD1-N 3.11Å
15M94.9Very high93.1Very high1 Ų130.1 Ų30.11%0.00519%0.187CC..  trans-68.4104.3-174.9-174.565.863.700112R5 V8 A12 T92 Y129 K148 C149R5-M15 HydrophobicContact CB-CG 3.96Å; R5-M15 HydrophobicContact CB-SD 3.88Å; R5-M15 HydrophobicContact CG-SD 4.19Å; R5-M15 PolarHBondContact NH2-SD 2.97Å; R5-M15 WeakPolarHBondContact O-CE 3.44Å; R5-M15 WeakPolarHBondContact O-CG 3.44Å; V8-M15 HydrophobicContact CG1-CE 3.99Å; V8-M15 HydrophobicContact CG2-CE 3.79Å; A12-M15 HydrophobicContact CB-CB 3.72Å; A12-M15 HydrophobicContact CB-CE 3.79Å; M15-T92 WeakPolarHBondContact CE-O 3.3Å; M15-Y129 HydrophobicContact CE-CD1 3.85Å; M15-Y129 HydrophobicContact CE-CG 3.9Å; M15-K148 HydrophobicContact CB-CG 4.44Å; M15-K148 HydrophobicContact CG-CG 4Å; M15-K148 CarbonylContact O-C 3.54Å; M15-K148 VanDerWaalsContact O-CA 3.23Å; M15-K148 WeakPolarHBondContact O-CA 3.18Å; M15-K148 VanDerWaalsContact O-CB 3.28Å; M15-K148 WeakPolarHBondContact O-CB 3.4Å; M15-C149 PolarHBondContact O-N 3.21Å
16G93.6Very high93.2Very high2 Ų234.1 Ų34.12%0.02121%0.206CC..BIsolated β-bridgetrans-71.1147.8176.100000113.5R5 N14 Y94 C149R5-G16 PolarHBondContact NE-O 3.05Å; R5-G16 PolarHBondContact NH2-O 3Å; N14-G16 PolarHBondContact O-N 2.93Å; G16-Y94 VanDerWaalsContact CA-O 3.28Å; G16-Y94 WeakPolarHBondContact CA-O 3.32Å; G16-Y94 PolarHBondContact N-O 2.58Å; G16-C149 WeakPolarHBondContact CA-O 3.44Å
17C92.3Very high93.3Very high17 Ų1736.6 Ų36.612%0.11522%0.218CC..PPolyproline II helixtrans-72.1147173.2-59.30000112.2G97 K148 C149 C150C17-G97 PolarHBondContact O-N 2.89Å; C17-K148 WeakPolarHBondContact SG-CB 3.38Å; C17-C149 PolarHBondContact N-O 3.38Å; C17-C149 VanDerWaalsContact SG-C 3.51Å; C17-C149 PolarHBondContact SG-O 2.84Å; C17-C150 HydrophobicContact CB-CB 4.09Å; C17-C150 WeakPolarHBondContact CB-SG 3.48Å; C17-C150 WeakPolarHBondContact SG-CA 3.46Å; C17-C150 WeakPolarHBondContact SG-CB 3.26Å; C17-C150 CovalentContact SG-SG 2.03Å; C17-C150 PolarHBondContact SG-SG 3.14Å
18L94.3Very high93.6Very high16 Ų1632 Ų328%0.08419%0.194CC..EExtended strand (participates in β ladder)trans-100.4130.4167.7-63.2175.1000110.3M1 N2 G97 I99 F118M1-L18 HydrophobicContact CG-CD1 3.7Å; N2-L18 PolarHBondContact ND2-O 3.37Å; N2-L18 WeakPolarHBondContact OD1-CB 3.31Å; N2-L18 PolarHBondContact OD1-N 3.07Å; L18-G97 CarbonylContact C-O 3.47Å; L18-G97 VanDerWaalsContact CA-O 3.27Å; L18-G97 WeakPolarHBondContact CA-O 3.04Å; L18-I99 HydrophobicContact CB-CG2 4.11Å; L18-I99 HydrophobicContact CD1-CB 4.46Å; L18-I99 HydrophobicContact CD1-CD1 4.34Å; L18-F118 HydrophobicContact CD1-CD1 4.03Å; L18-F118 HydrophobicContact CD1-CE1 3.79Å
19A92.8Very high93.7Very high52 Ų5235.1 Ų35.143%0.4321%0.207SC..EExtended strand (participates in β ladder)trans-102.3155170.900000110.9G97 K98 I99A19-G97 PolarHBondContact N-O 2.95Å; A19-K98 HydrophobicContact CB-CG 4.39Å; A19-K98 CarbonylContact O-C 3.49Å; A19-K98 WeakPolarHBondContact O-CA 3.3Å; A19-I99 PolarHBondContact O-N 3.16Å
20W93.6Very high93.9Very high136 Ų13636.2 Ų36.252%0.51521%0.213SC..EExtended strand (participates in β ladder)trans-72.6142.2173.1-177.2-110000111A25 I99 C101W20-A25 HydrophobicContact CH2-CB 3.88Å; W20-A25 HydrophobicContact CZ2-CB 3.61Å; W20-I99 CarbonylContact C-O 3.6Å; W20-I99 WeakPolarHBondContact CA-O 3.33Å; W20-C101 HydrophobicContact CH2-CB 4.38Å; W20-C101 VanDerWaalsContact CH2-N 3.31Å; W20-C101 HydrophobicContact CZ3-CB 4.21Å; W20-C101 VanDerWaalsContact CZ3-N 3.34Å
21K95.2Very high94.1Very high18 Ų1834.3 Ų34.38%0.07819%0.189CC..  trans-136.9116.4169.7-171.7-174.3-158.2175.50109.6S23 L24 A25 K98 I99 E119 D310 S346K21-S23 VanDerWaalsContact C-N 3.25Å; K21-S23 WeakPolarHBondContact CD-OG 3.24Å; K21-S23 WeakPolarHBondContact CE-OG 3.44Å; K21-S23 WeakPolarHBondContact CG-OG 3.2Å; K21-S23 PolarHBondContact O-N 2.84Å; K21-L24 HydrophobicContact CB-CB 4.45Å; K21-L24 HydrophobicContact CB-CD1 4.17Å; K21-L24 HydrophobicContact CB-CG 4.33Å; K21-L24 HydrophobicContact CD-CD1 4.26Å; K21-L24 HydrophobicContact CD-CG 4.13Å; K21-L24 WeakPolarHBondContact O-CB 3.44Å; K21-L24 PolarHBondContact O-N 2.84Å; K21-L24 VanDerWaalsContact O-N 3.09Å; K21-A25 PolarHBondContact O-N 3.31Å; K21-K98 HydrophobicContact CB-CB 3.67Å; K21-K98 HydrophobicContact CB-CD 4.04Å; K21-K98 HydrophobicContact CB-CG 4.15Å; K21-K98 HydrophobicContact CD-CB 4.13Å; K21-K98 HydrophobicContact CD-CD 3.64Å; K21-K98 HydrophobicContact CD-CG 4.43Å; K21-K98 HydrophobicContact CG-CB 4.46Å; K21-K98 HydrophobicContact CG-CD 4.09Å; K21-I99 PolarHBondContact N-O 3.1Å; K21-E119 IonicContact NZ-OE1 3.7Å; K21-D310 IonicContact NZ-OD1 2.87Å; K21-D310 PolarHBondContact NZ-OD1 3.39Å; K21-D310 IonicContact NZ-OD2 3.62Å; K21-S346 WeakPolarHBondContact CE-OG 3.47Å
22A93.8Very high94.3Very high55 Ų5533.7 Ų33.746%0.45518%0.183SC..Hα-helixtrans-58.7-32.5-177.600000113.7A25 E26A22-A25 WeakPolarHBondContact O-CB 3.36Å; A22-A25 PolarHBondContact O-N 2.93Å; A22-A25 VanDerWaalsContact O-N 3.15Å; A22-E26 PolarHBondContact O-N 2.65Å; A22-E26 VanDerWaalsContact O-N 3.13Å
23S93.3Very high94.3Very high23 Ų2339 Ų3916%0.16121%0.208CC..Hα-helixtrans-62.6-43.8175.872.20000111.8K21 A25 E26 D27K21-S23 VanDerWaalsContact C-N 3.25Å; K21-S23 WeakPolarHBondContact CD-OG 3.24Å; K21-S23 WeakPolarHBondContact CE-OG 3.44Å; K21-S23 WeakPolarHBondContact CG-OG 3.2Å; K21-S23 PolarHBondContact O-N 2.84Å; S23-A25 PolarHBondContact O-N 3.22Å; S23-E26 PolarHBondContact O-N 3.33Å; S23-E26 VanDerWaalsContact O-N 3.12Å; S23-D27 PolarHBondContact O-N 3.2Å
24L95.6Very high94.2Very high1 Ų140.6 Ų40.61%0.00522%0.219CC..Hα-helixtrans-63.7-26.9175.4-71.7176.5000112.3K21 A28 Y44 K98 A117 E119K21-L24 HydrophobicContact CB-CB 4.45Å; K21-L24 HydrophobicContact CB-CD1 4.17Å; K21-L24 HydrophobicContact CB-CG 4.33Å; K21-L24 HydrophobicContact CD-CD1 4.26Å; K21-L24 HydrophobicContact CD-CG 4.13Å; K21-L24 WeakPolarHBondContact O-CB 3.44Å; K21-L24 PolarHBondContact O-N 2.84Å; K21-L24 VanDerWaalsContact O-N 3.09Å; L24-A28 WeakPolarHBondContact O-CB 3.42Å; L24-A28 PolarHBondContact O-N 3.11Å; L24-Y44 HydrophobicContact CD2-CD1 3.91Å; L24-Y44 HydrophobicContact CD2-CD2 3.76Å; L24-Y44 HydrophobicContact CD2-CE1 3.82Å; L24-Y44 HydrophobicContact CD2-CE2 3.65Å; L24-Y44 HydrophobicContact CD2-CG 3.9Å; L24-K98 VanDerWaalsContact CD1-C 3.49Å; L24-K98 HydrophobicContact CD1-CB 3.84Å; L24-K98 WeakPolarHBondContact CD1-O 3.32Å; L24-A117 HydrophobicContact CB-CB 4.14Å; L24-A117 HydrophobicContact CD2-CB 4.05Å; L24-A117 WeakPolarHBondContact O-CB 3.28Å; L24-E119 HydrophobicContact CD1-CB 4.07Å
25A96.1Very high94.2Very high14 Ų1442 Ų4212%0.11623%0.23CC..Hα-helixtrans-73.4-37.7174.500000111.8W20 K21 A22 S23 K29W20-A25 HydrophobicContact CH2-CB 3.88Å; W20-A25 HydrophobicContact CZ2-CB 3.61Å; K21-A25 PolarHBondContact O-N 3.31Å; A22-A25 WeakPolarHBondContact O-CB 3.36Å; A22-A25 PolarHBondContact O-N 2.93Å; A22-A25 VanDerWaalsContact O-N 3.15Å; S23-A25 PolarHBondContact O-N 3.22Å; A25-K29 WeakPolarHBondContact O-CB 3.47Å; A25-K29 PolarHBondContact O-N 2.98Å
26E94.8Very high94.1Very high86 Ų8643.7 Ų43.740%0.40224%0.237SC..Hα-helixtrans-71-32.3171.5-70.4-69.4143.200112.3A22 S23 K29 T30A22-E26 PolarHBondContact O-N 2.65Å; A22-E26 VanDerWaalsContact O-N 3.13Å; S23-E26 PolarHBondContact O-N 3.33Å; S23-E26 VanDerWaalsContact O-N 3.12Å; E26-K29 VanDerWaalsContact CD-NZ 3.32Å; E26-K29 IonicContact OE1-NZ 3.13Å; E26-K29 PolarHBondContact OE1-NZ 3.17Å; E26-K29 IonicContact OE2-NZ 3.29Å; E26-K29 PolarHBondContact OE2-NZ 3.07Å; E26-T30 WeakPolarHBondContact O-CB 3.48Å; E26-T30 PolarHBondContact O-N 2.89Å; E26-T30 PolarHBondContact O-OG1 3.25Å
27D93.7Very high93.6Very high55 Ų5550.5 Ų50.529%0.29427%0.272SS..Hα-helixtrans-65.6-49.4169.7-73.2-52000111.3S23 K29 T30 V31S23-D27 PolarHBondContact O-N 3.2Å; D27-K29 VanDerWaalsContact C-N 3.27Å; D27-K29 PolarHBondContact O-N 3.48Å; D27-T30 WeakPolarHBondContact O-CB 3.21Å; D27-T30 PolarHBondContact O-N 3.09Å; D27-T30 VanDerWaalsContact O-N 3.07Å; D27-V31 PolarHBondContact O-N 3.04Å
28A96.2Very high92.6Very high0 Ų053.8 Ų53.80%030%0.295CS..Hα-helixtrans-57.8-39.9174.900000112.1L24 V31 A32 A102 V115 A117L24-A28 WeakPolarHBondContact O-CB 3.42Å; L24-A28 PolarHBondContact O-N 3.11Å; A28-V31 PolarHBondContact O-N 2.9Å; A28-A32 WeakPolarHBondContact O-CB 3.38Å; A28-A32 PolarHBondContact O-N 3.05Å; A28-A102 HydrophobicContact CB-CB 4.27Å; A28-V115 HydrophobicContact CB-CB 4.45Å; A28-V115 HydrophobicContact CB-CG1 4.1Å; A28-A117 HydrophobicContact CB-CB 4.07Å
29K95.8Very high91.8Very high70 Ų7055 Ų5530%0.30430%0.301SS..Hα-helixtrans-63.5-43.8173.4175.5-179.4163-158.30111.8A25 E26 D27 V31 A32 E33 A102A25-K29 WeakPolarHBondContact O-CB 3.47Å; A25-K29 PolarHBondContact O-N 2.98Å; E26-K29 VanDerWaalsContact CD-NZ 3.32Å; E26-K29 IonicContact OE1-NZ 3.13Å; E26-K29 PolarHBondContact OE1-NZ 3.17Å; E26-K29 IonicContact OE2-NZ 3.29Å; E26-K29 PolarHBondContact OE2-NZ 3.07Å; D27-K29 VanDerWaalsContact C-N 3.27Å; D27-K29 PolarHBondContact O-N 3.48Å; K29-V31 VanDerWaalsContact C-N 3.27Å; K29-V31 PolarHBondContact O-N 3.08Å; K29-A32 PolarHBondContact O-N 3.29Å; K29-E33 WeakPolarHBondContact CE-OE1 3.14Å; K29-E33 HydrophobicContact CG-CG 4.38Å; K29-E33 WeakPolarHBondContact O-CB 3.35Å; K29-E33 WeakPolarHBondContact O-CG 3.14Å; K29-E33 PolarHBondContact O-N 3.47Å; K29-A102 VanDerWaalsContact CA-CB 3.42Å; K29-A102 HydrophobicContact CB-CB 3.55Å; K29-A102 HydrophobicContact CG-CB 4.44Å
30T93.9Very high90.8Very high60 Ų6058.7 Ų58.737%0.36831%0.313SS..Hα-helixtrans-60.5-39.4175.4-59.30000111.1E26 D27 N34E26-T30 WeakPolarHBondContact O-CB 3.48Å; E26-T30 PolarHBondContact O-N 2.89Å; E26-T30 PolarHBondContact O-OG1 3.25Å; D27-T30 WeakPolarHBondContact O-CB 3.21Å; D27-T30 PolarHBondContact O-N 3.09Å; D27-T30 VanDerWaalsContact O-N 3.07Å; T30-N34 PolarHBondContact O-N 3.01Å; T30-N34 VanDerWaalsContact O-N 3.15Å; T30-N34 PolarHBondContact O-ND2 3.02Å
31V94.5Very high90Very high18 Ų1859.7 Ų59.711%0.10933%0.329CS..Hα-helixtrans-68.2-42.2174.5173.20000111.9D27 A28 K29 N34 C35 F36 M39 Y46 V115D27-V31 PolarHBondContact O-N 3.04Å; A28-V31 PolarHBondContact O-N 2.9Å; K29-V31 VanDerWaalsContact C-N 3.27Å; K29-V31 PolarHBondContact O-N 3.08Å; V31-N34 CarbonylContact O-C 3.6Å; V31-N34 PolarHBondContact O-N 3.24Å; V31-C35 PolarHBondContact O-N 3.36Å; V31-F36 HydrophobicContact CG1-CB 4.4Å; V31-F36 HydrophobicContact CG1-CD2 3.49Å; V31-F36 VanDerWaalsContact CG1-CD2 3.49Å; V31-F36 HydrophobicContact CG1-CE2 4.14Å; V31-F36 HydrophobicContact CG1-CG 4.11Å; V31-F36 PolarHBondContact O-N 3.23Å; V31-M39 HydrophobicContact CG1-CG 4.16Å; V31-M39 HydrophobicContact CG1-SD 3.63Å; V31-Y46 HydrophobicContact CB-CE1 4.21Å; V31-Y46 HydrophobicContact CG2-CD1 4.28Å; V31-Y46 HydrophobicContact CG2-CE1 3.59Å; V31-Y46 HydrophobicContact CG2-CE2 4.2Å; V31-V115 HydrophobicContact CB-CG1 4.18Å; V31-V115 HydrophobicContact CG1-CG1 3.96Å; V31-V115 HydrophobicContact CG1-CG2 4.43Å
32A94.8Very high89.5Confident0 Ų060.3 Ų60.30%034%0.335CS..Hα-helixtrans-65.5-40.7176.900000112.4A28 K29 N34 C35 N104 C107 V115A28-A32 WeakPolarHBondContact O-CB 3.38Å; A28-A32 PolarHBondContact O-N 3.05Å; K29-A32 PolarHBondContact O-N 3.29Å; A32-N34 VanDerWaalsContact C-N 3.3Å; A32-N34 PolarHBondContact O-N 3.37Å; A32-C35 PolarHBondContact O-N 3.39Å; A32-N104 HydrophobicContact CB-CB 3.78Å; A32-N104 WeakPolarHBondContact O-CB 3.18Å; A32-N104 PolarHBondContact O-ND2 2.91Å; A32-C107 PolarHBondContact O-SG 2.92Å; A32-C107 VanDerWaalsContact O-SG 3.4Å; A32-V115 HydrophobicContact CB-CB 4.24Å; A32-V115 HydrophobicContact CB-CG2 3.78Å
33E94Very high89.3Confident114 Ų11460.9 Ų60.953%0.53333%0.333SS..Hα-helixtrans-63.7-33.7174.8-76.3-177.4-176.500112.4K29 C35 N104K29-E33 WeakPolarHBondContact CE-OE1 3.14Å; K29-E33 HydrophobicContact CG-CG 4.38Å; K29-E33 WeakPolarHBondContact O-CB 3.35Å; K29-E33 WeakPolarHBondContact O-CG 3.14Å; K29-E33 PolarHBondContact O-N 3.47Å; E33-C35 VanDerWaalsContact C-N 3.26Å; E33-C35 PolarHBondContact O-N 3.11Å; E33-N104 WeakPolarHBondContact CA-ND2 3.48Å
34N92.5Very high89.3Confident99 Ų9962.4 Ų62.453%0.52934%0.336SS..THydrogen-bonded Turntrans-88.716.9171.6-66.7-68.7000113.2T30 V31 A32 F36 I37T30-N34 PolarHBondContact O-N 3.01Å; T30-N34 VanDerWaalsContact O-N 3.15Å; T30-N34 PolarHBondContact O-ND2 3.02Å; V31-N34 CarbonylContact O-C 3.6Å; V31-N34 PolarHBondContact O-N 3.24Å; A32-N34 VanDerWaalsContact C-N 3.3Å; A32-N34 PolarHBondContact O-N 3.37Å; N34-F36 PolarHBondContact O-N 3.09Å; N34-I37 WeakPolarHBondContact O-CB 3.31Å; N34-I37 WeakPolarHBondContact O-CD1 3.48Å; N34-I37 VanDerWaalsContact O-CG1 3.24Å; N34-I37 WeakPolarHBondContact O-CG1 3.38Å; N34-I37 PolarHBondContact O-N 3.49Å
35C93.6Very high89.3Confident45 Ų4562.4 Ų62.430%0.30434%0.336SS..THydrogen-bonded Turntrans51.733.3175.4-56.10000115.1V31 A32 E33 I37 C107 L113V31-C35 PolarHBondContact O-N 3.36Å; A32-C35 PolarHBondContact O-N 3.39Å; E33-C35 VanDerWaalsContact C-N 3.26Å; E33-C35 PolarHBondContact O-N 3.11Å; C35-I37 HydrophobicContact CB-CD1 4.3Å; C35-I37 HydrophobicContact CB-CG1 4.34Å; C35-I37 PolarHBondContact O-N 3.19Å; C35-C107 WeakPolarHBondContact CA-SG 3.19Å; C35-C107 HydrophobicContact CB-CB 3.81Å; C35-C107 WeakPolarHBondContact CB-SG 3.33Å; C35-C107 WeakPolarHBondContact SG-CA 3.01Å; C35-C107 WeakPolarHBondContact SG-CB 3.37Å; C35-C107 CovalentContact SG-SG 2.04Å; C35-C107 PolarHBondContact SG-SG 3.28Å; C35-L113 HydrophobicContact CB-CD2 4.49Å
36F91.8Very high89.3Confident37 Ų3763.3 Ų63.316%0.16234%0.337CS..THydrogen-bonded Turntrans59.827.8177.3-147.3-93.5000114V31 N34 S38 M39 K48 L113 V115V31-F36 HydrophobicContact CG1-CB 4.4Å; V31-F36 HydrophobicContact CG1-CD2 3.49Å; V31-F36 VanDerWaalsContact CG1-CD2 3.49Å; V31-F36 HydrophobicContact CG1-CE2 4.14Å; V31-F36 HydrophobicContact CG1-CG 4.11Å; V31-F36 PolarHBondContact O-N 3.23Å; N34-F36 PolarHBondContact O-N 3.09Å; F36-S38 PolarHBondContact O-N 3.49Å; F36-M39 HydrophobicContact CD1-CE 3.96Å; F36-M39 HydrophobicContact CD1-SD 3.97Å; F36-M39 HydrophobicContact CD2-CE 4.46Å; F36-M39 HydrophobicContact CD2-SD 3.73Å; F36-M39 HydrophobicContact CE1-CE 3.21Å; F36-M39 HydrophobicContact CE1-SD 3.73Å; F36-M39 HydrophobicContact CE2-CE 3.78Å; F36-M39 HydrophobicContact CE2-SD 3.42Å; F36-M39 WeakPolarHBondContact CE2-SD 3.26Å; F36-M39 HydrophobicContact CG-SD 4.01Å; F36-M39 HydrophobicContact CZ-CE 3.13Å; F36-M39 HydrophobicContact CZ-SD 3.48Å; F36-M39 WeakPolarHBondContact CZ-SD 3.47Å; F36-K48 HydrophobicContact CB-CD 4.26Å; F36-K48 HydrophobicContact CD1-CD 3.62Å; F36-K48 HydrophobicContact CD1-CG 4.29Å; F36-K48 HydrophobicContact CD2-CB 3.85Å; F36-K48 HydrophobicContact CD2-CD 4.03Å; F36-K48 HydrophobicContact CD2-CG 4.26Å; F36-K48 HydrophobicContact CE1-CB 4.42Å; F36-K48 HydrophobicContact CE1-CD 3.68Å; F36-K48 HydrophobicContact CE1-CG 3.88Å; F36-K48 HydrophobicContact CE2-CB 3.5Å; F36-K48 HydrophobicContact CE2-CD 4.13Å; F36-K48 HydrophobicContact CE2-CG 3.89Å; F36-K48 HydrophobicContact CG-CB 4.45Å; F36-K48 HydrophobicContact CG-CD 3.76Å; F36-K48 HydrophobicContact CG-CG 4.43Å; F36-K48 HydrophobicContact CZ-CB 3.78Å; F36-K48 HydrophobicContact CZ-CD 3.91Å; F36-K48 HydrophobicContact CZ-CG 3.63Å; F36-L113 HydrophobicContact CB-CD2 4.4Å; F36-V115 HydrophobicContact CD2-CG1 4.26Å; F36-V115 HydrophobicContact CD2-CG2 3.78Å; F36-V115 HydrophobicContact CE2-CG1 4.08Å; F36-V115 HydrophobicContact CE2-CG2 4.18Å
37I83.2Confident89.3Confident144 Ų14459.3 Ų59.374%0.73832%0.318SS*.  trans-70.4-23.8-169.1-72170.1000114.3N34 C35N34-I37 WeakPolarHBondContact O-CB 3.31Å; N34-I37 WeakPolarHBondContact O-CD1 3.48Å; N34-I37 VanDerWaalsContact O-CG1 3.24Å; N34-I37 WeakPolarHBondContact O-CG1 3.38Å; N34-I37 PolarHBondContact O-N 3.49Å; C35-I37 HydrophobicContact CB-CD1 4.3Å; C35-I37 HydrophobicContact CB-CG1 4.34Å; C35-I37 PolarHBondContact O-N 3.19Å
38S71.4Confident89.4Confident87 Ų8761.2 Ų61.261%0.60832%0.324SS*.  trans-163.1140.3169.8-176.30000112.1F36F36-S38 PolarHBondContact O-N 3.49Å
39M77.8Confident89.3Confident41 Ų4162.4 Ų62.420%0.20233%0.332CS..  trans-148.12.8-179.9-52.1-176.9-44.200114.2V31 F36 N41 S42 Y46V31-M39 HydrophobicContact CG1-CG 4.16Å; V31-M39 HydrophobicContact CG1-SD 3.63Å; F36-M39 HydrophobicContact CD1-CE 3.96Å; F36-M39 HydrophobicContact CD1-SD 3.97Å; F36-M39 HydrophobicContact CD2-CE 4.46Å; F36-M39 HydrophobicContact CD2-SD 3.73Å; F36-M39 HydrophobicContact CE1-CE 3.21Å; F36-M39 HydrophobicContact CE1-SD 3.73Å; F36-M39 HydrophobicContact CE2-CE 3.78Å; F36-M39 HydrophobicContact CE2-SD 3.42Å; F36-M39 WeakPolarHBondContact CE2-SD 3.26Å; F36-M39 HydrophobicContact CG-SD 4.01Å; F36-M39 HydrophobicContact CZ-CE 3.13Å; F36-M39 HydrophobicContact CZ-SD 3.48Å; F36-M39 WeakPolarHBondContact CZ-SD 3.47Å; M39-N41 PolarHBondContact O-N 3.43Å; M39-N41 VanDerWaalsContact O-N 3.11Å; M39-S42 WeakPolarHBondContact O-CB 3.48Å; M39-S42 PolarHBondContact O-N 3.48Å; M39-Y46 HydrophobicContact CB-CD2 4.18Å; M39-Y46 HydrophobicContact CE-CD2 4.26Å; M39-Y46 HydrophobicContact CE-CG 4.12Å; M39-Y46 HydrophobicContact CG-CD2 4.28Å; M39-Y46 WeakPolarHBondContact SD-CB 3.41Å; M39-Y46 HydrophobicContact SD-CD1 4.19Å; M39-Y46 HydrophobicContact SD-CD2 3.64Å; M39-Y46 HydrophobicContact SD-CE2 4.42Å; M39-Y46 HydrophobicContact SD-CG 3.49Å
40D71Confident89.2Confident130 Ų13062.6 Ų62.670%0.69534%0.339SS*.THydrogen-bonded Turntrans-58.6-36.1-165.8-57-61.8000112.8S42 K121D40-S42 VanDerWaalsContact C-N 3.3Å; D40-S42 PolarHBondContact O-N 3.33Å; D40-K121 PolarHBondContact O-NZ 2.84Å
41N76.1Confident89.1Confident157 Ų15760.7 Ų60.784%0.8433%0.325SS*.THydrogen-bonded Turntrans-81.95178.4-59.4-28.5000114.4M39M39-N41 PolarHBondContact O-N 3.43Å; M39-N41 VanDerWaalsContact O-N 3.11Å
42S86.3Confident89Confident30 Ų3065.1 Ų65.121%0.2135%0.345CS..  trans-79.1139.4176.1-168.60000111.9M39 D40 Y44 Y46 K121M39-S42 WeakPolarHBondContact O-CB 3.48Å; M39-S42 PolarHBondContact O-N 3.48Å; D40-S42 VanDerWaalsContact C-N 3.3Å; D40-S42 PolarHBondContact O-N 3.33Å; S42-Y44 VanDerWaalsContact C-N 3.29Å; S42-Y44 PolarHBondContact OG-N 3.1Å; S42-Y44 VanDerWaalsContact OG-N 3.09Å; S42-Y46 VanDerWaalsContact OG-CE2 3.32Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.44Å; S42-K121 WeakPolarHBondContact O-CD 3.32Å; S42-K121 PolarHBondContact O-NZ 3.45Å
43T89.2Confident88.5Confident68 Ų6867 Ų6742%0.41736%0.364SS..SBendtrans-73.1-20.8166.552.70000112.7K121T43-K121 WeakPolarHBondContact O-CB 3.45Å
44Y93.8Very high88.2Confident55 Ų5568 Ų6822%0.21637%0.369CS..SBendtrans-81.9146.7175.6-58.6-37.1000111.7L24 S42 F118L24-Y44 HydrophobicContact CD2-CD1 3.91Å; L24-Y44 HydrophobicContact CD2-CD2 3.76Å; L24-Y44 HydrophobicContact CD2-CE1 3.82Å; L24-Y44 HydrophobicContact CD2-CE2 3.65Å; L24-Y44 HydrophobicContact CD2-CG 3.9Å; S42-Y44 VanDerWaalsContact C-N 3.29Å; S42-Y44 PolarHBondContact OG-N 3.1Å; S42-Y44 VanDerWaalsContact OG-N 3.09Å; Y44-F118 WeakPolarHBondContact CA-O 2.99Å; Y44-F118 WeakPolarHBondContact CB-O 3.48Å
45G95.2Very high87.9Confident1 Ų166.3 Ų66.31%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-75.4138.8164.100000109.2Q90 A117 F118G45-Q90 VanDerWaalsContact CA-OE1 3.26Å; G45-A117 CarbonylContact O-C 3.56Å; G45-A117 WeakPolarHBondContact O-CA 3.31Å; G45-F118 PolarHBondContact N-O 3.18Å; G45-F118 PolarHBondContact O-N 3.02Å
46Y95.3Very high87.6Confident32 Ų3269.2 Ų69.213%0.12537%0.366CS..EExtended strand (participates in β ladder)trans-133.9131.4178.5-79-75000110.5V31 M39 S42 V115 C116 A117V31-Y46 HydrophobicContact CB-CE1 4.21Å; V31-Y46 HydrophobicContact CG2-CD1 4.28Å; V31-Y46 HydrophobicContact CG2-CE1 3.59Å; V31-Y46 HydrophobicContact CG2-CE2 4.2Å; M39-Y46 HydrophobicContact CB-CD2 4.18Å; M39-Y46 HydrophobicContact CE-CD2 4.26Å; M39-Y46 HydrophobicContact CE-CG 4.12Å; M39-Y46 HydrophobicContact CG-CD2 4.28Å; M39-Y46 WeakPolarHBondContact SD-CB 3.41Å; M39-Y46 HydrophobicContact SD-CD1 4.19Å; M39-Y46 HydrophobicContact SD-CD2 3.64Å; M39-Y46 HydrophobicContact SD-CE2 4.42Å; M39-Y46 HydrophobicContact SD-CG 3.49Å; S42-Y46 VanDerWaalsContact OG-CE2 3.32Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.44Å; Y46-V115 HydrophobicContact CD1-CG1 3.98Å; Y46-C116 WeakPolarHBondContact CA-O 3.37Å; Y46-A117 HydrophobicContact CD1-CB 3.79Å; Y46-A117 HydrophobicContact CE1-CB 3.41Å; Y46-A117 VanDerWaalsContact CE1-CB 3.41Å
47L95.5Very high87.4Confident2 Ų271.1 Ų71.11%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-117.7149.2172.5-60.6-175.7000110W65 D87 Q90 V115 C116 F118L47-W65 HydrophobicContact CB-CD2 3.96Å; L47-W65 HydrophobicContact CB-CE3 4.17Å; L47-W65 HydrophobicContact CB-CH2 3.78Å; L47-W65 HydrophobicContact CB-CZ2 3.53Å; L47-W65 HydrophobicContact CB-CZ3 4.09Å; L47-W65 HydrophobicContact CD1-CB 4.16Å; L47-W65 HydrophobicContact CD1-CD2 3.67Å; L47-W65 HydrophobicContact CD1-CE3 3.69Å; L47-W65 HydrophobicContact CD1-CG 3.91Å; L47-W65 HydrophobicContact CD1-CZ3 4.25Å; L47-W65 HydrophobicContact CG-CD2 4.45Å; L47-D87 HydrophobicContact CD2-CB 4.25Å; L47-D87 WeakPolarHBondContact CD2-OD1 3.42Å; L47-Q90 HydrophobicContact CD1-CG 4.41Å; L47-Q90 HydrophobicContact CD2-CB 3.94Å; L47-Q90 HydrophobicContact CD2-CG 3.91Å; L47-Q90 HydrophobicContact CG-CB 4.49Å; L47-Q90 HydrophobicContact CG-CG 4.07Å; L47-V115 WeakPolarHBondContact O-CA 3.39Å; L47-C116 PolarHBondContact N-O 2.87Å; L47-C116 PolarHBondContact O-N 2.72Å; L47-F118 HydrophobicContact CB-CE2 4.13Å; L47-F118 HydrophobicContact CD1-CE2 3.59Å; L47-F118 HydrophobicContact CD1-CZ 3.72Å; L47-F118 HydrophobicContact CG-CD2 4.38Å; L47-F118 HydrophobicContact CG-CE2 3.66Å; L47-F118 HydrophobicContact CG-CZ 4.32Å
48K94.8Very high87.7Confident95 Ų9568.2 Ų68.241%0.41336%0.356SS..EExtended strand (participates in β ladder)trans-126.5153.316960.8173.8177.2-169.10112.2F36 W65 L113 F114 V115F36-K48 HydrophobicContact CB-CD 4.26Å; F36-K48 HydrophobicContact CD1-CD 3.62Å; F36-K48 HydrophobicContact CD1-CG 4.29Å; F36-K48 HydrophobicContact CD2-CB 3.85Å; F36-K48 HydrophobicContact CD2-CD 4.03Å; F36-K48 HydrophobicContact CD2-CG 4.26Å; F36-K48 HydrophobicContact CE1-CB 4.42Å; F36-K48 HydrophobicContact CE1-CD 3.68Å; F36-K48 HydrophobicContact CE1-CG 3.88Å; F36-K48 HydrophobicContact CE2-CB 3.5Å; F36-K48 HydrophobicContact CE2-CD 4.13Å; F36-K48 HydrophobicContact CE2-CG 3.89Å; F36-K48 HydrophobicContact CG-CB 4.45Å; F36-K48 HydrophobicContact CG-CD 3.76Å; F36-K48 HydrophobicContact CG-CG 4.43Å; F36-K48 HydrophobicContact CZ-CB 3.78Å; F36-K48 HydrophobicContact CZ-CD 3.91Å; F36-K48 HydrophobicContact CZ-CG 3.63Å; K48-W65 VanDerWaalsContact C-CZ2 3.48Å; K48-W65 PolarHBondContact O-NE1 2.97Å; K48-L113 HydrophobicContact CB-CD1 3.93Å; K48-L113 HydrophobicContact CD-CD1 4.18Å; K48-F114 CarbonylContact C-O 3.56Å; K48-F114 WeakPolarHBondContact CA-O 3.35Å; K48-V115 HydrophobicContact CB-CG2 4.49Å
49S94.3Very high88.4Confident26 Ų2669.4 Ų69.418%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-137.3153161.9-174.70000108.6V61 F114S49-V61 VanDerWaalsContact CB-CG1 3.46Å; S49-F114 PolarHBondContact N-O 3.19Å; S49-F114 PolarHBondContact O-N 3.32Å
50T94.1Very high89.1Confident74 Ų7471.5 Ų71.545%0.45437%0.37SS..EExtended strand (participates in β ladder)trans-144127.1-17360.60000110.5P110 Y112 L113T50-P110 HydrophobicContact CG2-CG 4.41Å; T50-Y112 VanDerWaalsContact CA-O 3.22Å; T50-Y112 WeakPolarHBondContact CA-O 3.18Å; T50-L113 HydrophobicContact CG2-CB 4.44Å; T50-L113 HydrophobicContact CG2-CD1 3.59Å
51W92.3Very high90.2Very high19 Ų1965.4 Ų65.47%0.07234%0.337CS..EExtended strand (participates in β ladder)trans-148.8167.9-176.868.490.4000112.9E54 F55 Q57 Y58 V61 P110 D111 Y112 F114W51-E54 PolarHBondContact NE1-O 2.03Å; W51-F55 WeakPolarHBondContact CZ2-O 3.29Å; W51-Q57 VanDerWaalsContact CD1-CD 3.45Å; W51-Q57 HydrophobicContact CD2-CB 4.08Å; W51-Q57 HydrophobicContact CG-CB 4.02Å; W51-Y58 VanDerWaalsContact CH2-CB 3.5Å; W51-V61 HydrophobicContact CE3-CG2 4.24Å; W51-V61 HydrophobicContact CH2-CG2 4.45Å; W51-V61 HydrophobicContact CZ3-CG2 3.75Å; W51-P110 WeakPolarHBondContact O-CB 3.48Å; W51-D111 PolarHBondContact O-N 3.16Å; W51-Y112 AromaticContact CE2-CD2 3.99Å; W51-Y112 AromaticContact CE2-CG 3.85Å; W51-Y112 HydrophobicContact CZ2-CD1 4.37Å; W51-Y112 HydrophobicContact CZ2-CD2 4.43Å; W51-Y112 AromaticContact CZ2-CG 3.92Å; W51-Y112 HydrophobicContact CZ2-CG 3.92Å; W51-Y112 PolarHBondContact N-O 3.36Å; W51-Y112 AromaticContact NE1-CD2 3.46Å; W51-Y112 AromaticContact NE1-CG 3.81Å; W51-Y112 PolarHBondContact O-N 3.41Å; W51-Y112 VanDerWaalsContact O-N 3.08Å; W51-F114 HydrophobicContact CH2-CB 3.57Å; W51-F114 HydrophobicContact CH2-CD2 4.42Å; W51-F114 HydrophobicContact CH2-CG 4.1Å; W51-F114 HydrophobicContact CZ3-CB 3.42Å; W51-F114 VanDerWaalsContact CZ3-CB 3.42Å; W51-F114 HydrophobicContact CZ3-CG 4.18Å
52Q91.4Very high91Very high112 Ų11259.1 Ų59.152%0.52331%0.305SS..SBendtrans-114.7155.4175.5-67.1179.2-12.800110.3Q57 P110 D111Q52-Q57 PolarHBondContact O-NE2 3.46Å; Q52-P110 HydrophobicContact CG-CB 3.56Å; Q52-D111 WeakPolarHBondContact CA-OD2 3.28Å; Q52-D111 WeakPolarHBondContact CB-OD2 3.46Å
53G85.8Confident91.3Very high39 Ų3959.4 Ų59.440%0.40231%0.31SS..SBendtrans83.9-139.6-17900000113.3D111 Y112G53-D111 PolarHBondContact N-OD2 2.85Å; G53-Y112 VanDerWaalsContact O-CE2 3.31Å; G53-Y112 WeakPolarHBondContact O-CE2 3.23Å
54E86.6Confident91.5Very high135 Ų13560.5 Ų60.563%0.63132%0.316SS*.  trans-57.2141-168-54-48.612600114.8W51 E56W51-E54 PolarHBondContact NE1-O 2.03Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.41Å
55F85.6Confident91.6Very high63 Ų6358.2 Ų58.228%0.27631%0.307SS..G310 helixtrans-61.5-41.5178.4171.4-119.5000111.6W51 Q57 Y58 Y103 Y112W51-F55 WeakPolarHBondContact CZ2-O 3.29Å; F55-Q57 PolarHBondContact O-N 2.66Å; F55-Y58 HydrophobicContact CD1-CD1 4.16Å; F55-Y58 HydrophobicContact CD1-CE1 4.07Å; F55-Y58 HydrophobicContact CD2-CD1 4.4Å; F55-Y58 AromaticContact CE1-CD1 3.86Å; F55-Y58 HydrophobicContact CE1-CD1 3.86Å; F55-Y58 AromaticContact CE1-CE1 3.57Å; F55-Y58 HydrophobicContact CE1-CE1 3.57Å; F55-Y58 HydrophobicContact CE2-CD1 4.13Å; F55-Y58 HydrophobicContact CG-CD1 4.43Å; F55-Y58 AromaticContact CZ-CD1 3.85Å; F55-Y58 HydrophobicContact CZ-CD1 3.85Å; F55-Y58 AromaticContact CZ-CE1 3.87Å; F55-Y58 HydrophobicContact CZ-CE1 3.87Å; F55-Y58 WeakPolarHBondContact O-CD1 3.46Å; F55-Y58 PolarHBondContact O-N 2.78Å; F55-Y58 VanDerWaalsContact O-N 3.1Å; F55-Y103 AromaticContact CE2-CD1 3.79Å; F55-Y103 HydrophobicContact CE2-CD1 3.79Å; F55-Y103 AromaticContact CE2-CE1 3.63Å; F55-Y103 HydrophobicContact CE2-CE1 3.63Å; F55-Y103 HydrophobicContact CE2-CE2 4.48Å; F55-Y103 HydrophobicContact CE2-CG 4.28Å; F55-Y103 HydrophobicContact CZ-CD1 4.36Å; F55-Y103 AromaticContact CZ-CE1 3.98Å; F55-Y103 HydrophobicContact CZ-CE1 3.98Å; F55-Y112 HydrophobicContact CB-CE1 4.34Å; F55-Y112 HydrophobicContact CD2-CD1 4.09Å; F55-Y112 AromaticContact CD2-CE1 3.57Å; F55-Y112 HydrophobicContact CD2-CE1 3.57Å; F55-Y112 HydrophobicContact CE2-CE1 4.39Å; F55-Y112 HydrophobicContact CG-CE1 4.39Å
56E87.8Confident91.6Very high107 Ų10758.5 Ų58.550%0.531%0.31SS..G310 helixtrans-59-14.4-173.1-71.466.3-151.800114E54 Y58 L59E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.41Å; E56-Y58 PolarHBondContact O-N 3.21Å; E56-L59 HydrophobicContact CB-CD1 4.46Å; E56-L59 VanDerWaalsContact O-CB 3.29Å; E56-L59 WeakPolarHBondContact O-CB 2.94Å; E56-L59 WeakPolarHBondContact O-CG 3Å; E56-L59 PolarHBondContact O-N 3.46Å
57Q87.8Confident91.5Very high76 Ų7661.2 Ų61.236%0.35533%0.329SS..G310 helixtrans-57-20.6170.8-61.9-178.537.800112.5W51 Q52 F55 L59 T60W51-Q57 VanDerWaalsContact CD1-CD 3.45Å; W51-Q57 HydrophobicContact CD2-CB 4.08Å; W51-Q57 HydrophobicContact CG-CB 4.02Å; Q52-Q57 PolarHBondContact O-NE2 3.46Å; F55-Q57 PolarHBondContact O-N 2.66Å; Q57-L59 PolarHBondContact O-N 3.29Å; Q57-T60 PolarHBondContact O-N 2.03Å; Q57-T60 PolarHBondContact O-OG1 3.46Å
58Y89.5Confident91.2Very high83 Ų8363 Ų6333%0.32534%0.341SS..G310 helixtrans-54.3-26.317188.1-96.5000113.3W51 F55 E56 T60 V61 P62W51-Y58 VanDerWaalsContact CH2-CB 3.5Å; F55-Y58 HydrophobicContact CD1-CD1 4.16Å; F55-Y58 HydrophobicContact CD1-CE1 4.07Å; F55-Y58 HydrophobicContact CD2-CD1 4.4Å; F55-Y58 AromaticContact CE1-CD1 3.86Å; F55-Y58 HydrophobicContact CE1-CD1 3.86Å; F55-Y58 AromaticContact CE1-CE1 3.57Å; F55-Y58 HydrophobicContact CE1-CE1 3.57Å; F55-Y58 HydrophobicContact CE2-CD1 4.13Å; F55-Y58 HydrophobicContact CG-CD1 4.43Å; F55-Y58 AromaticContact CZ-CD1 3.85Å; F55-Y58 HydrophobicContact CZ-CD1 3.85Å; F55-Y58 AromaticContact CZ-CE1 3.87Å; F55-Y58 HydrophobicContact CZ-CE1 3.87Å; F55-Y58 WeakPolarHBondContact O-CD1 3.46Å; F55-Y58 PolarHBondContact O-N 2.78Å; F55-Y58 VanDerWaalsContact O-N 3.1Å; E56-Y58 PolarHBondContact O-N 3.21Å; Y58-T60 VanDerWaalsContact C-N 3.31Å; Y58-T60 PolarHBondContact O-N 3.46Å; Y58-V61 PolarHBondContact O-N 3.04Å; Y58-P62 WeakPolarHBondContact O-CD 2.93Å
59L86.9Confident90.9Very high112 Ų11261.8 Ų61.859%0.58634%0.339SS*.G310 helixtrans-69.1-25.8179.1-65.7170.5000113.2E56 Q57E56-L59 HydrophobicContact CB-CD1 4.46Å; E56-L59 VanDerWaalsContact O-CB 3.29Å; E56-L59 WeakPolarHBondContact O-CB 2.94Å; E56-L59 WeakPolarHBondContact O-CG 3Å; E56-L59 PolarHBondContact O-N 3.46Å; Q57-L59 PolarHBondContact O-N 3.29Å
60T91Very high90.7Very high85 Ų8568.1 Ų68.152%0.52137%0.366SS..THydrogen-bonded Turntrans-88.9-21.7179.367.10000112.6Q57 Y58 P62 A63 T64Q57-T60 PolarHBondContact O-N 2.03Å; Q57-T60 PolarHBondContact O-OG1 3.46Å; Y58-T60 VanDerWaalsContact C-N 3.31Å; Y58-T60 PolarHBondContact O-N 3.46Å; T60-P62 VanDerWaalsContact C-CD 3.49Å; T60-A63 WeakPolarHBondContact O-CB 3.1Å; T60-A63 PolarHBondContact O-N 3.5Å; T60-T64 PolarHBondContact O-N 2.87Å; T60-T64 VanDerWaalsContact O-N 3.07Å; T60-T64 PolarHBondContact O-OG1 3.17Å
61V94.7Very high90.6Very high2 Ų265.4 Ų65.41%0.01235%0.349CS..Hα-helixtrans-52-43.2-177.5175.50000114S49 W51 Y58 A63 T64 W65 F114S49-V61 VanDerWaalsContact CB-CG1 3.46Å; W51-V61 HydrophobicContact CE3-CG2 4.24Å; W51-V61 HydrophobicContact CH2-CG2 4.45Å; W51-V61 HydrophobicContact CZ3-CG2 3.75Å; Y58-V61 PolarHBondContact O-N 3.04Å; V61-A63 VanDerWaalsContact C-N 3.26Å; V61-A63 PolarHBondContact O-N 3.28Å; V61-T64 WeakPolarHBondContact O-CB 3.3Å; V61-T64 PolarHBondContact O-N 3.23Å; V61-T64 VanDerWaalsContact O-N 3.17Å; V61-W65 HydrophobicContact CG1-CD2 3.65Å; V61-W65 HydrophobicContact CG1-CE3 3.86Å; V61-W65 HydrophobicContact CG1-CG 4.44Å; V61-W65 HydrophobicContact CG1-CH2 3.58Å; V61-W65 HydrophobicContact CG1-CZ2 3.33Å; V61-W65 HydrophobicContact CG1-CZ3 3.83Å; V61-W65 PolarHBondContact O-N 2.87Å; V61-F114 HydrophobicContact CB-CD1 4.44Å; V61-F114 HydrophobicContact CB-CE1 4.48Å; V61-F114 HydrophobicContact CG1-CD1 3.93Å; V61-F114 HydrophobicContact CG1-CE1 4.1Å
62P93.7Very high90.6Very high26 Ų2665 Ų6517%0.16935%0.347CS..Hα-helixtrans-61.6-32.6177.4-23.934.9000113.7M1 E4 Y58 T60 A66M1-P62 HydrophobicContact CB-CB 4.43Å; M1-P62 HydrophobicContact SD-CB 4.09Å; E4-P62 HydrophobicContact CG-CB 4.21Å; Y58-P62 WeakPolarHBondContact O-CD 2.93Å; T60-P62 VanDerWaalsContact C-CD 3.49Å; P62-A66 WeakPolarHBondContact O-CB 3.47Å; P62-A66 PolarHBondContact O-N 2.8Å; P62-A66 VanDerWaalsContact O-N 3.09Å
63A93.1Very high90.6Very high36 Ų3661.6 Ų61.630%0.29833%0.333SS..Hα-helixtrans-75.3-37.5176.200000111.1E4 T60 V61 A66 T67E4-A63 HydrophobicContact CG-CB 4.42Å; T60-A63 WeakPolarHBondContact O-CB 3.1Å; T60-A63 PolarHBondContact O-N 3.5Å; V61-A63 VanDerWaalsContact C-N 3.26Å; V61-A63 PolarHBondContact O-N 3.28Å; A63-A66 PolarHBondContact O-N 2.87Å; A63-T67 WeakPolarHBondContact O-CB 3.48Å; A63-T67 PolarHBondContact O-N 3.37Å; A63-T67 PolarHBondContact O-OG1 2.66Å
64T93.5Very high90.8Very high90 Ų9062 Ų6255%0.55233%0.328SS*.Hα-helixtrans-58.5-49.3172.8-52.30000111.5T60 V61T60-T64 PolarHBondContact O-N 2.87Å; T60-T64 VanDerWaalsContact O-N 3.07Å; T60-T64 PolarHBondContact O-OG1 3.17Å; V61-T64 WeakPolarHBondContact O-CB 3.3Å; V61-T64 PolarHBondContact O-N 3.23Å; V61-T64 VanDerWaalsContact O-N 3.17Å
65W95.3Very high90.8Very high7 Ų763.8 Ų63.83%0.02734%0.336CS..Hα-helixtrans-67.7-38.4178.1-63.8-36000112.6L47 K48 V61 T67 D87 F88 S91 F114 C116L47-W65 HydrophobicContact CB-CD2 3.96Å; L47-W65 HydrophobicContact CB-CE3 4.17Å; L47-W65 HydrophobicContact CB-CH2 3.78Å; L47-W65 HydrophobicContact CB-CZ2 3.53Å; L47-W65 HydrophobicContact CB-CZ3 4.09Å; L47-W65 HydrophobicContact CD1-CB 4.16Å; L47-W65 HydrophobicContact CD1-CD2 3.67Å; L47-W65 HydrophobicContact CD1-CE3 3.69Å; L47-W65 HydrophobicContact CD1-CG 3.91Å; L47-W65 HydrophobicContact CD1-CZ3 4.25Å; L47-W65 HydrophobicContact CG-CD2 4.45Å; K48-W65 VanDerWaalsContact C-CZ2 3.48Å; K48-W65 PolarHBondContact O-NE1 2.97Å; V61-W65 HydrophobicContact CG1-CD2 3.65Å; V61-W65 HydrophobicContact CG1-CE3 3.86Å; V61-W65 HydrophobicContact CG1-CG 4.44Å; V61-W65 HydrophobicContact CG1-CH2 3.58Å; V61-W65 HydrophobicContact CG1-CZ2 3.33Å; V61-W65 HydrophobicContact CG1-CZ3 3.83Å; V61-W65 PolarHBondContact O-N 2.87Å; W65-T67 VanDerWaalsContact C-N 3.34Å; W65-T67 PolarHBondContact O-N 3.02Å; W65-D87 HydrophobicContact CG-CB 4.49Å; W65-F88 WeakPolarHBondContact O-CA 3.06Å; W65-F88 PolarHBondContact O-N 2.82Å; W65-S91 PolarHBondContact O-OG 2.94Å; W65-S91 VanDerWaalsContact O-OG 3.11Å; W65-F114 AromaticContact CH2-CD1 3.73Å; W65-F114 HydrophobicContact CH2-CD1 3.73Å; W65-F114 AromaticContact CH2-CE1 3.64Å; W65-F114 HydrophobicContact CH2-CE1 3.64Å; W65-F114 HydrophobicContact CZ2-CD1 4.19Å; W65-F114 HydrophobicContact CZ2-CE1 4.49Å; W65-F114 HydrophobicContact CZ3-CE1 4.15Å; W65-C116 HydrophobicContact CH2-CB 3.82Å; W65-C116 HydrophobicContact CZ3-CB 3.89Å; W65-C116 VanDerWaalsContact CZ3-SG 3.59Å
66A94.9Very high91.1Very high8 Ų864.5 Ų64.57%0.06635%0.345CS..Hα-helixtrans-84-2.2-175.400000115M1 E4 P62 A63 F88 T92M1-A66 HydrophobicContact CE-CB 3.99Å; E4-A66 HydrophobicContact CB-CB 3.37Å; E4-A66 HydrophobicContact CG-CB 4.18Å; P62-A66 WeakPolarHBondContact O-CB 3.47Å; P62-A66 PolarHBondContact O-N 2.8Å; P62-A66 VanDerWaalsContact O-N 3.09Å; A63-A66 PolarHBondContact O-N 2.87Å; A66-F88 WeakPolarHBondContact O-CD2 3.23Å; A66-F88 VanDerWaalsContact O-CE2 3.24Å; A66-F88 WeakPolarHBondContact O-CE2 3.48Å; A66-T92 HydrophobicContact CB-CG2 4.33Å
67T92.4Very high91.2Very high88 Ų8860.1 Ų60.154%0.5433%0.325SS..SBendtrans-92.4126.8176.2-61.40000109.2A63 W65 N69A63-T67 WeakPolarHBondContact O-CB 3.48Å; A63-T67 PolarHBondContact O-N 3.37Å; A63-T67 PolarHBondContact O-OG1 2.66Å; W65-T67 VanDerWaalsContact C-N 3.34Å; W65-T67 PolarHBondContact O-N 3.02Å; T67-N69 PolarHBondContact O-N 2.97Å
68P91Very high91.3Very high39 Ų3962.6 Ų62.625%0.25334%0.335SS..  trans-65.2129175.431.1-37.6000109.6P9 F72 T74 F88P9-P68 HydrophobicContact CG-CG 3.77Å; P68-F72 HydrophobicContact CB-CB 4.09Å; P68-F72 HydrophobicContact CB-CD1 3.78Å; P68-F72 HydrophobicContact CB-CG 4.32Å; P68-T74 HydrophobicContact CB-CG2 4.39Å; P68-T74 HydrophobicContact CG-CG2 4.4Å; P68-F88 HydrophobicContact CB-CD2 4.18Å; P68-F88 HydrophobicContact CB-CE2 4.01Å; P68-F88 HydrophobicContact CB-CZ 4.31Å; P68-F88 HydrophobicContact CG-CE2 4.37Å
69N88Confident91.3Very high70 Ų7060.1 Ų60.137%0.37433%0.329SS..  trans-86.1178.81706513.1000110.7T67 D71 F72 R84T67-N69 PolarHBondContact O-N 2.97Å; N69-D71 PolarHBondContact O-N 3.23Å; N69-D71 WeakPolarHBondContact OD1-CB 3.15Å; N69-D71 PolarHBondContact OD1-N 2.71Å; N69-D71 VanDerWaalsContact OD1-N 3.14Å; N69-F72 PolarHBondContact O-N 3.45Å; N69-F72 VanDerWaalsContact O-N 3.07Å; N69-F72 PolarHBondContact OD1-N 3.06Å; N69-R84 PolarHBondContact ND2-O 3.41Å
70Q90.2Very high91.4Very high159 Ų15961.3 Ų61.374%0.74333%0.33SS*.THydrogen-bonded Turntrans-57.5-21.3178.668.1-171.23.900114.2K80Q70-K80 WeakPolarHBondContact O-CD 3.24Å; Q70-K80 WeakPolarHBondContact O-CE 3.39Å; Q70-K80 PolarHBondContact O-NZ 3.25Å
71D90.9Very high91Very high18 Ų1860.8 Ų60.810%0.09632%0.324CS..THydrogen-bonded Turntrans-85.2-12.9-179.1-55.1-81.5000112.7N69 K80 R84 C85N69-D71 PolarHBondContact O-N 3.23Å; N69-D71 WeakPolarHBondContact OD1-CB 3.15Å; N69-D71 PolarHBondContact OD1-N 2.71Å; N69-D71 VanDerWaalsContact OD1-N 3.14Å; D71-K80 WeakPolarHBondContact O-CB 3.36Å; D71-K80 WeakPolarHBondContact O-CG 3.36Å; D71-K80 PolarHBondContact O-N 2.82Å; D71-R84 HydrophobicContact CB-CB 3.68Å; D71-R84 WeakPolarHBondContact OD1-CD 3.33Å; D71-R84 IonicContact OD1-CZ 3.86Å; D71-R84 IonicContact OD1-NE 2.77Å; D71-R84 IonicContact OD1-NH1 2.93Å; D71-R84 PolarHBondContact OD1-NH1 2.92Å; D71-C85 VanDerWaalsContact C-SG 3.53Å; D71-C85 PolarHBondContact O-SG 3.17Å
72F92.6Very high90Very high9 Ų966.4 Ų66.44%0.03936%0.363CS..EExtended strand (participates in β ladder)trans-93.1127.1171.9-171.9-104.8000111.4P68 N69 T74 M77 C85 F88 L89 P128P68-F72 HydrophobicContact CB-CB 4.09Å; P68-F72 HydrophobicContact CB-CD1 3.78Å; P68-F72 HydrophobicContact CB-CG 4.32Å; N69-F72 PolarHBondContact O-N 3.45Å; N69-F72 VanDerWaalsContact O-N 3.07Å; N69-F72 PolarHBondContact OD1-N 3.06Å; F72-T74 HydrophobicContact CD1-CG2 3.93Å; F72-T74 HydrophobicContact CE1-CG2 4.09Å; F72-M77 HydrophobicContact CE1-SD 4.13Å; F72-M77 HydrophobicContact CZ-CB 4.37Å; F72-M77 HydrophobicContact CZ-CE 4.46Å; F72-M77 HydrophobicContact CZ-SD 3.9Å; F72-C85 HydrophobicContact CB-CB 3.9Å; F72-C85 HydrophobicContact CD2-CB 4.36Å; F72-F88 AromaticContact CD1-CD1 3.99Å; F72-F88 HydrophobicContact CD1-CD1 3.99Å; F72-F88 AromaticContact CD1-CE1 3.66Å; F72-F88 HydrophobicContact CD1-CE1 3.66Å; F72-F88 HydrophobicContact CD1-CZ 4.22Å; F72-F88 AromaticContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CE1 4.05Å; F72-F88 HydrophobicContact CE1-CD1 4.07Å; F72-F88 AromaticContact CE1-CE1 3.35Å; F72-F88 HydrophobicContact CE1-CE1 3.35Å; F72-F88 AromaticContact CE1-CZ 3.95Å; F72-F88 HydrophobicContact CE1-CZ 3.95Å; F72-F88 AromaticContact CE2-CD1 3.89Å; F72-F88 HydrophobicContact CE2-CD1 3.89Å; F72-F88 AromaticContact CE2-CE1 3.79Å; F72-F88 HydrophobicContact CE2-CE1 3.79Å; F72-F88 AromaticContact CG-CD1 3.85Å; F72-F88 HydrophobicContact CG-CD1 3.85Å; F72-F88 AromaticContact CG-CE1 3.99Å; F72-F88 HydrophobicContact CG-CE1 3.99Å; F72-F88 HydrophobicContact CZ-CD1 4.03Å; F72-F88 AromaticContact CZ-CE1 3.43Å; F72-F88 HydrophobicContact CZ-CE1 3.43Å; F72-F88 VanDerWaalsContact CZ-CE1 3.43Å; F72-F88 HydrophobicContact CZ-CZ 4.39Å; F72-L89 HydrophobicContact CD2-CD2 4.34Å; F72-L89 HydrophobicContact CE2-CD2 3.79Å; F72-P128 HydrophobicContact CE2-CG 4.48Å; F72-P128 HydrophobicContact CZ-CG 4.24Å
73D91.7Very high89Confident41 Ų4167.3 Ų67.322%0.21938%0.377CS..EExtended strand (participates in β ladder)trans-92.6112169.117512.1000109.9E75 T76 M77 K78 K80D73-E75 VanDerWaalsContact C-N 3.32Å; D73-E75 PolarHBondContact O-N 2.76Å; D73-E75 WeakPolarHBondContact OD1-CB 3.48Å; D73-E75 PolarHBondContact OD1-N 2.89Å; D73-T76 VanDerWaalsContact CG-OG1 3.26Å; D73-T76 VanDerWaalsContact OD2-CB 3.3Å; D73-T76 WeakPolarHBondContact OD2-CB 3.22Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.15Å; D73-T76 PolarHBondContact OD2-N 2.04Å; D73-T76 PolarHBondContact OD2-OG1 3.45Å; D73-M77 VanDerWaalsContact O-CA 3.26Å; D73-M77 WeakPolarHBondContact O-CA 3.44Å; D73-M77 PolarHBondContact O-N 3.49Å; D73-K78 PolarHBondContact N-O 3.11Å; D73-K78 PolarHBondContact O-N 2.92Å; D73-K80 HydrophobicContact CB-CG 4.34Å
74T89.4Confident88.5Confident49 Ų4972.3 Ų72.330%0.30139%0.388SS..THydrogen-bonded Turntrans-72-23.6178.978.10000113P9 P68 F72 K131P9-T74 HydrophobicContact CB-CG2 4.27Å; P68-T74 HydrophobicContact CB-CG2 4.39Å; P68-T74 HydrophobicContact CG-CG2 4.4Å; F72-T74 HydrophobicContact CD1-CG2 3.93Å; F72-T74 HydrophobicContact CE1-CG2 4.09Å; T74-K131 WeakPolarHBondContact O-CE 3.38Å; T74-K131 PolarHBondContact O-NZ 2.86Å
75E87.8Confident88.4Confident172 Ų17268.1 Ų68.180%0.80436%0.362SS*.THydrogen-bonded Turntrans-72.9-51.5179.6-63.9-170.9172.500110.6D73 M77D73-E75 VanDerWaalsContact C-N 3.32Å; D73-E75 PolarHBondContact O-N 2.76Å; D73-E75 WeakPolarHBondContact OD1-CB 3.48Å; D73-E75 PolarHBondContact OD1-N 2.89Å; E75-M77 VanDerWaalsContact C-N 3.34Å
76T90.7Very high88.2Confident77 Ų7771.6 Ų71.647%0.47238%0.382SS..THydrogen-bonded Turntrans-84.1-7178.166.30000114.4D73 K78D73-T76 VanDerWaalsContact CG-OG1 3.26Å; D73-T76 VanDerWaalsContact OD2-CB 3.3Å; D73-T76 WeakPolarHBondContact OD2-CB 3.22Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.15Å; D73-T76 PolarHBondContact OD2-N 2.04Å; D73-T76 PolarHBondContact OD2-OG1 3.45Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 WeakPolarHBondContact O-CG 3.39Å; T76-K78 PolarHBondContact O-N 2.78Å
77M90.7Very high88.2Confident16 Ų1674.7 Ų74.78%0.07940%0.397CS..THydrogen-bonded Turntrans58.637.6-177.7-68.6-70.7-75.600113.6F72 D73 E75 V127 P128 Y129 K131F72-M77 HydrophobicContact CE1-SD 4.13Å; F72-M77 HydrophobicContact CZ-CB 4.37Å; F72-M77 HydrophobicContact CZ-CE 4.46Å; F72-M77 HydrophobicContact CZ-SD 3.9Å; D73-M77 VanDerWaalsContact O-CA 3.26Å; D73-M77 WeakPolarHBondContact O-CA 3.44Å; D73-M77 PolarHBondContact O-N 3.49Å; E75-M77 VanDerWaalsContact C-N 3.34Å; M77-V127 HydrophobicContact CB-CB 4.28Å; M77-V127 HydrophobicContact CB-CG1 3.89Å; M77-P128 HydrophobicContact CE-CG 3.81Å; M77-Y129 HydrophobicContact CE-CD1 3.89Å; M77-Y129 HydrophobicContact CE-CD2 3.7Å; M77-Y129 HydrophobicContact CE-CE1 3.64Å; M77-Y129 HydrophobicContact CE-CE2 3.46Å; M77-Y129 VanDerWaalsContact CE-CE2 3.46Å; M77-Y129 HydrophobicContact CE-CG 3.91Å; M77-Y129 VanDerWaalsContact CE-CZ 3.4Å; M77-Y129 VanDerWaalsContact CE-O 3.32Å; M77-Y129 WeakPolarHBondContact CE-O 3.37Å; M77-Y129 HydrophobicContact SD-CE2 4.38Å; M77-K131 HydrophobicContact CE-CG 4.33Å; M77-K131 HydrophobicContact CG-CD 4.34Å; M77-K131 HydrophobicContact CG-CG 4.49Å; M77-K131 HydrophobicContact SD-CD 4.06Å; M77-K131 HydrophobicContact SD-CG 4.06Å
78K89.7Confident88.3Confident127 Ų12770.6 Ų70.655%0.55237%0.372SS*.EExtended strand (participates in β ladder)trans-134.4156.7-172.6-72.6170.7-174.5177.50112.3D73 T76D73-K78 PolarHBondContact N-O 3.11Å; D73-K78 PolarHBondContact O-N 2.92Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 WeakPolarHBondContact O-CG 3.39Å; T76-K78 PolarHBondContact O-N 2.78Å
79C89.9Confident88.5Confident31 Ų3170 Ų7021%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-74.6133.5165-740000111C85C79-C85 WeakPolarHBondContact CA-SG 3.38Å; C79-C85 WeakPolarHBondContact CB-SG 3.23Å; C79-C85 WeakPolarHBondContact SG-CB 3.49Å; C79-C85 CovalentContact SG-SG 2.03Å; C79-C85 PolarHBondContact SG-SG 2.98Å
80K88.2Confident88.9Confident137 Ų13767.3 Ų67.360%0.59635%0.351SS*.SBendtrans-68.2-51.5171.5-61.9173.1-172.5168.20110.1Q70 D71 D73Q70-K80 WeakPolarHBondContact O-CD 3.24Å; Q70-K80 WeakPolarHBondContact O-CE 3.39Å; Q70-K80 PolarHBondContact O-NZ 3.25Å; D71-K80 WeakPolarHBondContact O-CB 3.36Å; D71-K80 WeakPolarHBondContact O-CG 3.36Å; D71-K80 PolarHBondContact O-N 2.82Å; D73-K80 HydrophobicContact CB-CG 4.34Å
81D82.7Confident89.2Confident75 Ų7559.7 Ų59.740%0.40132%0.316SS..SBendtrans-109.7127.4171.6-75.9-14.8000109.6G83 R84D81-G83 PolarHBondContact O-N 3.03Å; D81-R84 IonicContact OD2-CZ 2.99Å; D81-R84 IonicContact OD2-NH1 3.06Å; D81-R84 PolarHBondContact OD2-NH1 2.74Å; D81-R84 IonicContact OD2-NH2 3.38Å; D81-R84 PolarHBondContact OD2-NH2 3.43Å
82S73.8Confident89.4Confident119 Ų11958.9 Ų58.983%0.83231%0.311SS*.THydrogen-bonded Turntrans-60.7133.4178.758.60000111.9
83G72.2Confident89.6Confident45 Ų4559.4 Ų59.446%0.46431%0.313SS..THydrogen-bonded Turntrans97.7-24176.500000115.1D81 D86D81-G83 PolarHBondContact O-N 3.03Å; G83-D86 VanDerWaalsContact CA-CG 3.49Å; G83-D86 WeakPolarHBondContact CA-OD1 3.29Å; G83-D86 PolarHBondContact N-OD1 3.3Å
84R83.4Confident89.8Confident142 Ų14261.4 Ų61.454%0.53632%0.318SS..SBendtrans-85.7-16.3-172.4-72.5-168.2-170.6145.113.6115.7N69 D71 D81N69-R84 PolarHBondContact ND2-O 3.41Å; D71-R84 HydrophobicContact CB-CB 3.68Å; D71-R84 WeakPolarHBondContact OD1-CD 3.33Å; D71-R84 IonicContact OD1-CZ 3.86Å; D71-R84 IonicContact OD1-NE 2.77Å; D71-R84 IonicContact OD1-NH1 2.93Å; D71-R84 PolarHBondContact OD1-NH1 2.92Å; D81-R84 IonicContact OD2-CZ 2.99Å; D81-R84 IonicContact OD2-NH1 3.06Å; D81-R84 PolarHBondContact OD2-NH1 2.74Å; D81-R84 IonicContact OD2-NH2 3.38Å; D81-R84 PolarHBondContact OD2-NH2 3.43Å
85C92.1Very high90Very high1 Ų163.6 Ų63.61%0.00732%0.324CS..SBendtrans-122.318.717430.50000112.5D71 F72 C79 D87 F88 L89D71-C85 VanDerWaalsContact C-SG 3.53Å; D71-C85 PolarHBondContact O-SG 3.17Å; F72-C85 HydrophobicContact CB-CB 3.9Å; F72-C85 HydrophobicContact CD2-CB 4.36Å; C79-C85 WeakPolarHBondContact CA-SG 3.38Å; C79-C85 WeakPolarHBondContact CB-SG 3.23Å; C79-C85 WeakPolarHBondContact SG-CB 3.49Å; C79-C85 CovalentContact SG-SG 2.03Å; C79-C85 PolarHBondContact SG-SG 2.98Å; C85-D87 PolarHBondContact O-N 2.99Å; C85-F88 HydrophobicContact CB-CB 4.37Å; C85-F88 WeakPolarHBondContact O-CB 3.45Å; C85-F88 PolarHBondContact O-N 2.04Å; C85-L89 WeakPolarHBondContact O-CG 3.16Å; C85-L89 PolarHBondContact O-N 2.89Å
86D91.1Very high90.1Very high80 Ų8060.2 Ų60.243%0.42830%0.304SS..Hα-helixtrans-58.7-34.8175.8-70.821.7000111.2G83 F88 L89 Q90G83-D86 VanDerWaalsContact CA-CG 3.49Å; G83-D86 WeakPolarHBondContact CA-OD1 3.29Å; G83-D86 PolarHBondContact N-OD1 3.3Å; D86-F88 PolarHBondContact O-N 2.78Å; D86-L89 PolarHBondContact O-N 2.93Å; D86-Q90 VanDerWaalsContact O-CB 3.24Å; D86-Q90 WeakPolarHBondContact O-CB 3.32Å; D86-Q90 PolarHBondContact O-N 2.03Å
87D93.8Very high90.2Very high73 Ų7357.1 Ų57.139%0.3929%0.287SS..Hα-helixtrans-59.9-44172.6-75.68.4000112.7L47 W65 C85 S91L47-D87 HydrophobicContact CD2-CB 4.25Å; L47-D87 WeakPolarHBondContact CD2-OD1 3.42Å; W65-D87 HydrophobicContact CG-CB 4.49Å; C85-D87 PolarHBondContact O-N 2.99Å; D87-S91 WeakPolarHBondContact O-CB 3.41Å; D87-S91 PolarHBondContact O-N 2.79Å; D87-S91 PolarHBondContact O-OG 3.42Å
88F95.3Very high90.4Very high3 Ų359 Ų591%0.01330%0.295CS..Hα-helixtrans-66.8-48.8174.8176.7-93000111.3W65 A66 P68 F72 C85 D86 Q90 S91 T92 P128 Y129W65-F88 WeakPolarHBondContact O-CA 3.06Å; W65-F88 PolarHBondContact O-N 2.82Å; A66-F88 WeakPolarHBondContact O-CD2 3.23Å; A66-F88 VanDerWaalsContact O-CE2 3.24Å; A66-F88 WeakPolarHBondContact O-CE2 3.48Å; P68-F88 HydrophobicContact CB-CD2 4.18Å; P68-F88 HydrophobicContact CB-CE2 4.01Å; P68-F88 HydrophobicContact CB-CZ 4.31Å; P68-F88 HydrophobicContact CG-CE2 4.37Å; F72-F88 AromaticContact CD1-CD1 3.99Å; F72-F88 HydrophobicContact CD1-CD1 3.99Å; F72-F88 AromaticContact CD1-CE1 3.66Å; F72-F88 HydrophobicContact CD1-CE1 3.66Å; F72-F88 HydrophobicContact CD1-CZ 4.22Å; F72-F88 AromaticContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CE1 4.05Å; F72-F88 HydrophobicContact CE1-CD1 4.07Å; F72-F88 AromaticContact CE1-CE1 3.35Å; F72-F88 HydrophobicContact CE1-CE1 3.35Å; F72-F88 AromaticContact CE1-CZ 3.95Å; F72-F88 HydrophobicContact CE1-CZ 3.95Å; F72-F88 AromaticContact CE2-CD1 3.89Å; F72-F88 HydrophobicContact CE2-CD1 3.89Å; F72-F88 AromaticContact CE2-CE1 3.79Å; F72-F88 HydrophobicContact CE2-CE1 3.79Å; F72-F88 AromaticContact CG-CD1 3.85Å; F72-F88 HydrophobicContact CG-CD1 3.85Å; F72-F88 AromaticContact CG-CE1 3.99Å; F72-F88 HydrophobicContact CG-CE1 3.99Å; F72-F88 HydrophobicContact CZ-CD1 4.03Å; F72-F88 AromaticContact CZ-CE1 3.43Å; F72-F88 HydrophobicContact CZ-CE1 3.43Å; F72-F88 VanDerWaalsContact CZ-CE1 3.43Å; F72-F88 HydrophobicContact CZ-CZ 4.39Å; C85-F88 HydrophobicContact CB-CB 4.37Å; C85-F88 WeakPolarHBondContact O-CB 3.45Å; C85-F88 PolarHBondContact O-N 2.04Å; D86-F88 PolarHBondContact O-N 2.78Å; F88-Q90 PolarHBondContact O-N 2.94Å; F88-S91 PolarHBondContact O-N 3.45Å; F88-S91 PolarHBondContact O-OG 3.44Å; F88-T92 HydrophobicContact CD2-CG2 3.98Å; F88-T92 HydrophobicContact CE2-CG2 3.68Å; F88-T92 HydrophobicContact CZ-CG2 3.99Å; F88-T92 WeakPolarHBondContact O-CB 3.42Å; F88-T92 WeakPolarHBondContact O-CG2 3.02Å; F88-T92 PolarHBondContact O-N 3.37Å; F88-T92 PolarHBondContact O-OG1 3.25Å; F88-P128 HydrophobicContact CE1-CG 4.21Å; F88-Y129 HydrophobicContact CE1-CE1 4.48Å; F88-Y129 HydrophobicContact CZ-CE1 4.15Å
89L95.3Very high90.8Very high26 Ų2653.8 Ų53.814%0.13627%0.273CS..Hα-helixtrans-56.7-48.4179.8-72.7-178.3000111.9F72 C85 D86 Y93 I122 P128F72-L89 HydrophobicContact CD2-CD2 4.34Å; F72-L89 HydrophobicContact CE2-CD2 3.79Å; C85-L89 WeakPolarHBondContact O-CG 3.16Å; C85-L89 PolarHBondContact O-N 2.89Å; D86-L89 PolarHBondContact O-N 2.93Å; L89-Y93 WeakPolarHBondContact O-CB 3.48Å; L89-Y93 PolarHBondContact O-N 2.94Å; L89-I122 HydrophobicContact CB-CD1 4.11Å; L89-I122 HydrophobicContact CB-CG2 4.31Å; L89-P128 HydrophobicContact CD2-CB 4.15Å; L89-P128 HydrophobicContact CD2-CG 3.82Å
90Q95.6Very high91.2Very high13 Ų1352.3 Ų52.36%0.06126%0.263CS..Hα-helixtrans-74.8-37.9-177.1176.461.277.200112.7G45 L47 D86 F88 F118 N120 K121 I122G45-Q90 VanDerWaalsContact CA-OE1 3.26Å; L47-Q90 HydrophobicContact CD1-CG 4.41Å; L47-Q90 HydrophobicContact CD2-CB 3.94Å; L47-Q90 HydrophobicContact CD2-CG 3.91Å; L47-Q90 HydrophobicContact CG-CB 4.49Å; L47-Q90 HydrophobicContact CG-CG 4.07Å; D86-Q90 VanDerWaalsContact O-CB 3.24Å; D86-Q90 WeakPolarHBondContact O-CB 3.32Å; D86-Q90 PolarHBondContact O-N 2.03Å; F88-Q90 PolarHBondContact O-N 2.94Å; Q90-F118 HydrophobicContact CG-CD2 4.42Å; Q90-N120 PolarHBondContact NE2-O 3.22Å; Q90-K121 VanDerWaalsContact OE1-CA 3.3Å; Q90-I122 HydrophobicContact CB-CG2 4.11Å
91S96.3Very high91.6Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-71.3-33.8178.7680000112.4M1 R5 W65 D87 F88M1-S91 WeakPolarHBondContact CE-O 3.06Å; R5-S91 PolarHBondContact NH1-O 3.27Å; W65-S91 PolarHBondContact O-OG 2.94Å; W65-S91 VanDerWaalsContact O-OG 3.11Å; D87-S91 WeakPolarHBondContact O-CB 3.41Å; D87-S91 PolarHBondContact O-N 2.79Å; D87-S91 PolarHBondContact O-OG 3.42Å; F88-S91 PolarHBondContact O-N 3.45Å; F88-S91 PolarHBondContact O-OG 3.44Å
92T96.2Very high92.2Very high0 Ų044.2 Ų44.20%023%0.23CC..SBendtrans-95.86.3178.6670000114.2V8 M15 A66 F88 Y94 P128V8-T92 HydrophobicContact CG1-CG2 3.6Å; M15-T92 WeakPolarHBondContact CE-O 3.3Å; A66-T92 HydrophobicContact CB-CG2 4.33Å; F88-T92 HydrophobicContact CD2-CG2 3.98Å; F88-T92 HydrophobicContact CE2-CG2 3.68Å; F88-T92 HydrophobicContact CZ-CG2 3.99Å; F88-T92 WeakPolarHBondContact O-CB 3.42Å; F88-T92 WeakPolarHBondContact O-CG2 3.02Å; F88-T92 PolarHBondContact O-N 3.37Å; F88-T92 PolarHBondContact O-OG1 3.25Å; T92-Y94 PolarHBondContact O-N 2.04Å; T92-Y94 VanDerWaalsContact O-N 3.17Å; T92-P128 WeakPolarHBondContact OG1-CB 3.35Å
93Y96.4Very high93.2Very high20 Ų2044.2 Ų44.28%0.07821%0.213CC..  trans-60.9118.4179.9-176.1-141.6000111.8R5 L89 K95 N120 I122 I126 P128R5-Y93 PolarHBondContact NH1-O 3.39Å; R5-Y93 PolarHBondContact NH2-O 3.21Å; L89-Y93 WeakPolarHBondContact O-CB 3.48Å; L89-Y93 PolarHBondContact O-N 2.94Å; Y93-K95 HydrophobicContact CD1-CB 4.13Å; Y93-K95 HydrophobicContact CE1-CB 3.74Å; Y93-K95 HydrophobicContact CE1-CD 4.33Å; Y93-K95 HydrophobicContact CE2-CB 4.49Å; Y93-K95 PolarHBondContact O-N 3.4Å; Y93-K95 VanDerWaalsContact O-N 3.1Å; Y93-N120 HydrophobicContact CD1-CB 4.23Å; Y93-N120 HydrophobicContact CE1-CB 3.99Å; Y93-I122 HydrophobicContact CD1-CB 4Å; Y93-I122 HydrophobicContact CD1-CG1 4.38Å; Y93-I122 HydrophobicContact CD2-CB 4.13Å; Y93-I122 HydrophobicContact CD2-CD1 3.64Å; Y93-I122 HydrophobicContact CD2-CG1 3.64Å; Y93-I122 HydrophobicContact CE1-CB 4.4Å; Y93-I122 HydrophobicContact CE2-CD1 4.27Å; Y93-I122 HydrophobicContact CE2-CG1 3.9Å; Y93-I122 HydrophobicContact CG-CB 3.85Å; Y93-I122 HydrophobicContact CG-CD1 4.06Å; Y93-I122 HydrophobicContact CG-CG1 3.91Å; Y93-I126 HydrophobicContact CE2-CG2 4.23Å; Y93-P128 CarbonylContact C-O 3.17Å; Y93-P128 WeakPolarHBondContact CA-O 3.33Å
94Y94.5Very high94.3Very high83 Ų8342.8 Ų42.833%0.32519%0.194SC..  trans-60-29.3-165.276.3-82.7000113.5R5 N14 G16 T92 R96 P128R5-Y94 PolarHBondContact NH2-O 3.35Å; N14-Y94 HydrophobicContact CB-CD2 4.24Å; N14-Y94 WeakPolarHBondContact OD1-CB 3.47Å; G16-Y94 VanDerWaalsContact CA-O 3.28Å; G16-Y94 WeakPolarHBondContact CA-O 3.32Å; G16-Y94 PolarHBondContact N-O 2.58Å; T92-Y94 PolarHBondContact O-N 2.04Å; T92-Y94 VanDerWaalsContact O-N 3.17Å; Y94-R96 PolarHBondContact O-N 2.99Å; Y94-R96 VanDerWaalsContact O-N 3.16Å; Y94-P128 WeakPolarHBondContact CB-O 3.45Å; Y94-P128 WeakPolarHBondContact CD1-O 3.36Å; Y94-P128 PolarHBondContact N-O 2.86Å
95K93.6Very high94.7Very high96 Ų9639.4 Ų39.442%0.41719%0.19SC..  trans-58.2122.4-173.9-166.4175.4174.9-159.90110.4Y93 N120Y93-K95 HydrophobicContact CD1-CB 4.13Å; Y93-K95 HydrophobicContact CE1-CB 3.74Å; Y93-K95 HydrophobicContact CE1-CD 4.33Å; Y93-K95 HydrophobicContact CE2-CB 4.49Å; Y93-K95 PolarHBondContact O-N 3.4Å; Y93-K95 VanDerWaalsContact O-N 3.1Å; K95-N120 HydrophobicContact CD-CB 4.14Å; K95-N120 WeakPolarHBondContact CD-OD1 3.4Å; K95-N120 WeakPolarHBondContact CE-OD1 3.24Å; K95-N120 PolarHBondContact NZ-OD1 2.92Å
96R90.8Very high94.6Very high101 Ų10147.9 Ų47.938%0.38123%0.226SC..  trans-55153.4171.274.6-160.5-173.3-149.19.8110.7Y94 N120 D141 E142 H151Y94-R96 PolarHBondContact O-N 2.99Å; Y94-R96 VanDerWaalsContact O-N 3.16Å; R96-N120 PolarHBondContact O-ND2 2.94Å; R96-D141 IonicContact NH2-OD2 2.66Å; R96-D141 PolarHBondContact NH2-OD2 2.85Å; R96-E142 WeakPolarHBondContact CD-OE1 3.22Å; R96-E142 IonicContact CZ-OE1 3.89Å; R96-E142 IonicContact NE-OE1 2.61Å; R96-E142 IonicContact NH1-OE1 2.99Å; R96-E142 PolarHBondContact NH1-OE1 3.3Å; R96-H151 VanDerWaalsContact CZ-NE2 3.34Å; R96-H151 PolarHBondContact NE-CE1 3Å; R96-H151 PolarHBondContact NE-NE2 2.9Å; R96-H151 PolarHBondContact NH1-CE1 3.02Å; R96-H151 PolarHBondContact NH2-CE1 2.84Å; R96-H151 PolarHBondContact NH2-NE2 2.78Å
97G92.9Very high94.5Very high12 Ų1246 Ų4612%0.12422%0.219CC..EExtended strand (participates in β ladder)trans164.9-156.5175.600000112.6C17 L18 A19 E119C17-G97 PolarHBondContact O-N 2.89Å; L18-G97 CarbonylContact C-O 3.47Å; L18-G97 VanDerWaalsContact CA-O 3.27Å; L18-G97 WeakPolarHBondContact CA-O 3.04Å; A19-G97 PolarHBondContact N-O 2.95Å; G97-E119 WeakPolarHBondContact CA-OE2 3.05Å
98K95.6Very high93.8Very high55 Ų5545 Ų4524%0.23923%0.226CC..EExtended strand (participates in β ladder)trans-111.3152.9-174-64165.2-162161.90112.3A19 K21 L24 E119A19-K98 HydrophobicContact CB-CG 4.39Å; A19-K98 CarbonylContact O-C 3.49Å; A19-K98 WeakPolarHBondContact O-CA 3.3Å; K21-K98 HydrophobicContact CB-CB 3.67Å; K21-K98 HydrophobicContact CB-CD 4.04Å; K21-K98 HydrophobicContact CB-CG 4.15Å; K21-K98 HydrophobicContact CD-CB 4.13Å; K21-K98 HydrophobicContact CD-CD 3.64Å; K21-K98 HydrophobicContact CD-CG 4.43Å; K21-K98 HydrophobicContact CG-CB 4.46Å; K21-K98 HydrophobicContact CG-CD 4.09Å; L24-K98 VanDerWaalsContact CD1-C 3.49Å; L24-K98 HydrophobicContact CD1-CB 3.84Å; L24-K98 WeakPolarHBondContact CD1-O 3.32Å; K98-E119 HydrophobicContact CB-CB 4.13Å; K98-E119 WeakPolarHBondContact CD-OE1 3.48Å; K98-E119 PolarHBondContact N-OE2 3.07Å; K98-E119 WeakPolarHBondContact O-CB 3.32Å; K98-E119 PolarHBondContact O-N 3.2Å
99I97.4Very high93Very high18 Ų1855.2 Ų55.29%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-133.3145.9175.2-167.6179000109.8M1 L18 A19 W20 K21 C116 A117 F118M1-I99 HydrophobicContact CG-CD1 4.23Å; L18-I99 HydrophobicContact CB-CG2 4.11Å; L18-I99 HydrophobicContact CD1-CB 4.46Å; L18-I99 HydrophobicContact CD1-CD1 4.34Å; A19-I99 PolarHBondContact O-N 3.16Å; W20-I99 CarbonylContact C-O 3.6Å; W20-I99 WeakPolarHBondContact CA-O 3.33Å; K21-I99 PolarHBondContact N-O 3.1Å; I99-C116 HydrophobicContact CD1-CB 4.19Å; I99-C116 HydrophobicContact CG1-CB 4.35Å; I99-A117 CarbonylContact C-O 3.47Å; I99-A117 VanDerWaalsContact CA-O 3.31Å; I99-A117 WeakPolarHBondContact CA-O 3.35Å; I99-A117 WeakPolarHBondContact CG1-O 3.27Å; I99-F118 HydrophobicContact CD1-CD1 4.09Å; I99-F118 HydrophobicContact CD1-CE1 3.56Å; I99-F118 HydrophobicContact CD1-CE2 4.15Å; I99-F118 HydrophobicContact CD1-CZ 3.59Å; I99-F118 HydrophobicContact CG1-CD1 4.21Å; I99-F118 HydrophobicContact CG1-CE1 4.19Å; I99-F118 HydrophobicContact CG1-CG 4.41Å; I99-F118 HydrophobicContact CG1-CZ 4.34Å
100G97.3Very high92.2Very high0 Ų055.9 Ų55.90%027%0.271CS..EExtended strand (participates in β ladder)trans-144.9143.4168.500000110C116 A117G100-C116 CarbonylContact O-C 3.36Å; G100-C116 WeakPolarHBondContact O-CA 3.42Å; G100-A117 PolarHBondContact N-O 3.48Å; G100-A117 PolarHBondContact O-N 3.24Å
101C97.5Very high91.8Very high25 Ų2558.4 Ų58.417%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-135.1154.2-173.6-50.70000112W20 F114 V115 C116W20-C101 HydrophobicContact CH2-CB 4.38Å; W20-C101 VanDerWaalsContact CH2-N 3.31Å; W20-C101 HydrophobicContact CZ3-CB 4.21Å; W20-C101 VanDerWaalsContact CZ3-N 3.34Å; C101-F114 HydrophobicContact CB-CE1 4.47Å; C101-F114 HydrophobicContact CB-CE2 3.97Å; C101-F114 HydrophobicContact CB-CZ 3.69Å; C101-V115 CarbonylContact C-O 3.54Å; C101-V115 WeakPolarHBondContact CA-O 3.4Å; C101-V115 WeakPolarHBondContact CB-O 3.08Å; C101-C116 HydrophobicContact CB-CB 4.08Å; C101-C116 WeakPolarHBondContact CB-SG 3.19Å; C101-C116 WeakPolarHBondContact SG-CB 3.43Å; C101-C116 CovalentContact SG-SG 2.04Å; C101-C116 PolarHBondContact SG-SG 3.37Å
102A96.2Very high91.6Very high16 Ų1660.7 Ų60.713%0.13229%0.293CS..EExtended strand (participates in β ladder)trans-150.8168.5176.600000110.7A28 K29 F114 V115A28-A102 HydrophobicContact CB-CB 4.27Å; K29-A102 VanDerWaalsContact CA-CB 3.42Å; K29-A102 HydrophobicContact CB-CB 3.55Å; K29-A102 HydrophobicContact CG-CB 4.44Å; A102-F114 WeakPolarHBondContact O-CD2 3.39Å; A102-V115 PolarHBondContact N-O 3.38Å; A102-V115 PolarHBondContact O-N 3.21Å
103Y94.3Very high91.5Very high120 Ų12061.2 Ų61.247%0.47130%0.296SS..EExtended strand (participates in β ladder)trans-129.4159.5170.371.6-87.1000111.4F55 T105 Y112 L113F55-Y103 AromaticContact CE2-CD1 3.79Å; F55-Y103 HydrophobicContact CE2-CD1 3.79Å; F55-Y103 AromaticContact CE2-CE1 3.63Å; F55-Y103 HydrophobicContact CE2-CE1 3.63Å; F55-Y103 HydrophobicContact CE2-CE2 4.48Å; F55-Y103 HydrophobicContact CE2-CG 4.28Å; F55-Y103 HydrophobicContact CZ-CD1 4.36Å; F55-Y103 AromaticContact CZ-CE1 3.98Å; F55-Y103 HydrophobicContact CZ-CE1 3.98Å; Y103-T105 HydrophobicContact CD2-CG2 4.08Å; Y103-T105 HydrophobicContact CE2-CG2 4.08Å; Y103-Y112 AromaticContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CE1 4.07Å; Y103-Y112 HydrophobicContact CE2-CD1 4.33Å; Y103-Y112 HydrophobicContact CE2-CE1 4.09Å; Y103-Y112 HydrophobicContact CG-CD1 4.46Å; Y103-L113 CarbonylContact C-O 3.52Å; Y103-L113 WeakPolarHBondContact CA-O 3.18Å
104N93.9Very high91.5Very high15 Ų1561.3 Ų61.38%0.0830%0.297CS..EExtended strand (participates in β ladder)trans-138.4141.1169.2-179.124000109.6A32 E33 K106 C107 L113A32-N104 HydrophobicContact CB-CB 3.78Å; A32-N104 WeakPolarHBondContact O-CB 3.18Å; A32-N104 PolarHBondContact O-ND2 2.91Å; E33-N104 WeakPolarHBondContact CA-ND2 3.48Å; N104-K106 WeakPolarHBondContact OD1-CB 3.01Å; N104-K106 WeakPolarHBondContact OD1-CG 3.4Å; N104-K106 PolarHBondContact OD1-N 2.8Å; N104-C107 PolarHBondContact ND2-SG 2.72Å; N104-L113 PolarHBondContact N-O 3.39Å; N104-L113 PolarHBondContact O-N 3.01Å
105T92.5Very high91.6Very high71 Ų7157.4 Ų57.444%0.43628%0.282SS..SBendtrans-107.62.9178.658.70000113Y103 D111 Y112Y103-T105 HydrophobicContact CD2-CG2 4.08Å; Y103-T105 HydrophobicContact CE2-CG2 4.08Å; T105-D111 VanDerWaalsContact CA-O 3.23Å; T105-D111 WeakPolarHBondContact CA-O 3.42Å; T105-D111 VanDerWaalsContact CB-O 3.29Å; T105-D111 WeakPolarHBondContact CB-O 3.48Å; T105-D111 WeakPolarHBondContact CG2-O 3.36Å; T105-Y112 HydrophobicContact CG2-CD1 3.78Å; T105-Y112 HydrophobicContact CG2-CE1 3.69Å
106K89.8Confident91.8Very high178 Ų17853 Ų5377%0.77426%0.263SS*.  trans-97.29.4-171.5-59.7175.9-176.6170.50114.5N104 G108N104-K106 WeakPolarHBondContact OD1-CB 3.01Å; N104-K106 WeakPolarHBondContact OD1-CG 3.4Å; N104-K106 PolarHBondContact OD1-N 2.8Å; K106-G108 VanDerWaalsContact C-N 3.29Å; K106-G108 PolarHBondContact O-N 2.83Å
107C88.8Confident92.1Very high41 Ų4148.2 Ų48.228%0.27725%0.245SC..SBendtrans-88.916.1-173.8-67.60000114.8A32 C35 N104A32-C107 PolarHBondContact O-SG 2.92Å; A32-C107 VanDerWaalsContact O-SG 3.4Å; C35-C107 WeakPolarHBondContact CA-SG 3.19Å; C35-C107 HydrophobicContact CB-CB 3.81Å; C35-C107 WeakPolarHBondContact CB-SG 3.33Å; C35-C107 WeakPolarHBondContact SG-CA 3.01Å; C35-C107 WeakPolarHBondContact SG-CB 3.37Å; C35-C107 CovalentContact SG-SG 2.04Å; C35-C107 PolarHBondContact SG-SG 3.28Å; N104-C107 PolarHBondContact ND2-SG 2.72Å
108G80Confident92.3Very high53 Ų5347.8 Ų47.855%0.54624%0.24SC..SBendtrans79.6-155.9-166.500000110.5K106 P110K106-G108 VanDerWaalsContact C-N 3.29Å; K106-G108 PolarHBondContact O-N 2.83Å; G108-P110 VanDerWaalsContact O-O 3.09Å
109R77.7Confident92.3Very high216 Ų21647.7 Ų47.782%0.81524%0.24SC*.SBendtrans-77.3141.5169.9-77.5-178.8173.5155.9-1109.7
110P79.7Confident92.2Very high41 Ų4148.3 Ų48.327%0.26624%0.244SC..SBendcis-86.8167.85.337.6-37.5000113.6T50 W51 Q52 G108 Y112T50-P110 HydrophobicContact CG2-CG 4.41Å; W51-P110 WeakPolarHBondContact O-CB 3.48Å; Q52-P110 HydrophobicContact CG-CB 3.56Å; G108-P110 VanDerWaalsContact O-O 3.09Å; P110-Y112 VanDerWaalsContact C-N 3.26Å; P110-Y112 PolarHBondContact O-N 3.02Å
111D85.8Confident92.1Very high65 Ų6552.4 Ų52.435%0.34826%0.261SS..SBendtrans-59-33.3-165.4-51-37000113.9W51 Q52 G53 T105W51-D111 PolarHBondContact O-N 3.16Å; Q52-D111 WeakPolarHBondContact CA-OD2 3.28Å; Q52-D111 WeakPolarHBondContact CB-OD2 3.46Å; G53-D111 PolarHBondContact N-OD2 2.85Å; T105-D111 VanDerWaalsContact CA-O 3.23Å; T105-D111 WeakPolarHBondContact CA-O 3.42Å; T105-D111 VanDerWaalsContact CB-O 3.29Å; T105-D111 WeakPolarHBondContact CB-O 3.48Å; T105-D111 WeakPolarHBondContact CG2-O 3.36Å
112Y92.7Very high91.9Very high48 Ų4852.5 Ų52.519%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-122129.3176.5-66.1-88.2000111.3T50 W51 G53 F55 Y103 T105 P110T50-Y112 VanDerWaalsContact CA-O 3.22Å; T50-Y112 WeakPolarHBondContact CA-O 3.18Å; W51-Y112 AromaticContact CE2-CD2 3.99Å; W51-Y112 AromaticContact CE2-CG 3.85Å; W51-Y112 HydrophobicContact CZ2-CD1 4.37Å; W51-Y112 HydrophobicContact CZ2-CD2 4.43Å; W51-Y112 AromaticContact CZ2-CG 3.92Å; W51-Y112 HydrophobicContact CZ2-CG 3.92Å; W51-Y112 PolarHBondContact N-O 3.36Å; W51-Y112 AromaticContact NE1-CD2 3.46Å; W51-Y112 AromaticContact NE1-CG 3.81Å; W51-Y112 PolarHBondContact O-N 3.41Å; W51-Y112 VanDerWaalsContact O-N 3.08Å; G53-Y112 VanDerWaalsContact O-CE2 3.31Å; G53-Y112 WeakPolarHBondContact O-CE2 3.23Å; F55-Y112 HydrophobicContact CB-CE1 4.34Å; F55-Y112 HydrophobicContact CD2-CD1 4.09Å; F55-Y112 AromaticContact CD2-CE1 3.57Å; F55-Y112 HydrophobicContact CD2-CE1 3.57Å; F55-Y112 HydrophobicContact CE2-CE1 4.39Å; F55-Y112 HydrophobicContact CG-CE1 4.39Å; Y103-Y112 AromaticContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CE1 4.07Å; Y103-Y112 HydrophobicContact CE2-CD1 4.33Å; Y103-Y112 HydrophobicContact CE2-CE1 4.09Å; Y103-Y112 HydrophobicContact CG-CD1 4.46Å; T105-Y112 HydrophobicContact CG2-CD1 3.78Å; T105-Y112 HydrophobicContact CG2-CE1 3.69Å; P110-Y112 VanDerWaalsContact C-N 3.26Å; P110-Y112 PolarHBondContact O-N 3.02Å
113L95.1Very high91.7Very high12 Ų1254.9 Ų54.96%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-106.7110.2157.2168.463.9000108.1C35 F36 K48 T50 Y103 N104 V115C35-L113 HydrophobicContact CB-CD2 4.49Å; F36-L113 HydrophobicContact CB-CD2 4.4Å; K48-L113 HydrophobicContact CB-CD1 3.93Å; K48-L113 HydrophobicContact CD-CD1 4.18Å; T50-L113 HydrophobicContact CG2-CB 4.44Å; T50-L113 HydrophobicContact CG2-CD1 3.59Å; Y103-L113 CarbonylContact C-O 3.52Å; Y103-L113 WeakPolarHBondContact CA-O 3.18Å; N104-L113 PolarHBondContact N-O 3.39Å; N104-L113 PolarHBondContact O-N 3.01Å; L113-V115 HydrophobicContact CD1-CG2 4.1Å; L113-V115 HydrophobicContact CD2-CG2 4.49Å; L113-V115 HydrophobicContact CG-CG2 4.05Å
114F95.7Very high91.3Very high22 Ų2259.4 Ų59.410%0.09630%0.296CS..EExtended strand (participates in β ladder)trans-98.7136.4173.2-177.9-105.7000109.9K48 S49 W51 V61 W65 C101 A102 C116K48-F114 CarbonylContact C-O 3.56Å; K48-F114 WeakPolarHBondContact CA-O 3.35Å; S49-F114 PolarHBondContact N-O 3.19Å; S49-F114 PolarHBondContact O-N 3.32Å; W51-F114 HydrophobicContact CH2-CB 3.57Å; W51-F114 HydrophobicContact CH2-CD2 4.42Å; W51-F114 HydrophobicContact CH2-CG 4.1Å; W51-F114 HydrophobicContact CZ3-CB 3.42Å; W51-F114 VanDerWaalsContact CZ3-CB 3.42Å; W51-F114 HydrophobicContact CZ3-CG 4.18Å; V61-F114 HydrophobicContact CB-CD1 4.44Å; V61-F114 HydrophobicContact CB-CE1 4.48Å; V61-F114 HydrophobicContact CG1-CD1 3.93Å; V61-F114 HydrophobicContact CG1-CE1 4.1Å; W65-F114 AromaticContact CH2-CD1 3.73Å; W65-F114 HydrophobicContact CH2-CD1 3.73Å; W65-F114 AromaticContact CH2-CE1 3.64Å; W65-F114 HydrophobicContact CH2-CE1 3.64Å; W65-F114 HydrophobicContact CZ2-CD1 4.19Å; W65-F114 HydrophobicContact CZ2-CE1 4.49Å; W65-F114 HydrophobicContact CZ3-CE1 4.15Å; C101-F114 HydrophobicContact CB-CE1 4.47Å; C101-F114 HydrophobicContact CB-CE2 3.97Å; C101-F114 HydrophobicContact CB-CZ 3.69Å; A102-F114 WeakPolarHBondContact O-CD2 3.39Å; F114-C116 WeakPolarHBondContact CE1-SG 3.42Å
115V96.1Very high91Very high0 Ų062.5 Ų62.50%033%0.332CS..EExtended strand (participates in β ladder)trans-132.3135.8-178.5179.10000109.2A28 V31 A32 F36 Y46 L47 K48 C101 A102 L113A28-V115 HydrophobicContact CB-CB 4.45Å; A28-V115 HydrophobicContact CB-CG1 4.1Å; V31-V115 HydrophobicContact CB-CG1 4.18Å; V31-V115 HydrophobicContact CG1-CG1 3.96Å; V31-V115 HydrophobicContact CG1-CG2 4.43Å; A32-V115 HydrophobicContact CB-CB 4.24Å; A32-V115 HydrophobicContact CB-CG2 3.78Å; F36-V115 HydrophobicContact CD2-CG1 4.26Å; F36-V115 HydrophobicContact CD2-CG2 3.78Å; F36-V115 HydrophobicContact CE2-CG1 4.08Å; F36-V115 HydrophobicContact CE2-CG2 4.18Å; Y46-V115 HydrophobicContact CD1-CG1 3.98Å; L47-V115 WeakPolarHBondContact O-CA 3.39Å; K48-V115 HydrophobicContact CB-CG2 4.49Å; C101-V115 CarbonylContact C-O 3.54Å; C101-V115 WeakPolarHBondContact CA-O 3.4Å; C101-V115 WeakPolarHBondContact CB-O 3.08Å; A102-V115 PolarHBondContact N-O 3.38Å; A102-V115 PolarHBondContact O-N 3.21Å; L113-V115 HydrophobicContact CD1-CG2 4.1Å; L113-V115 HydrophobicContact CD2-CG2 4.49Å; L113-V115 HydrophobicContact CG-CG2 4.05Å
116C97.5Very high90.9Very high4 Ų462.9 Ų62.93%0.02733%0.33CS..EExtended strand (participates in β ladder)trans-119.8132.5166.7-71.80000110.3Y46 L47 W65 I99 G100 C101 F114 F118Y46-C116 WeakPolarHBondContact CA-O 3.37Å; L47-C116 PolarHBondContact N-O 2.87Å; L47-C116 PolarHBondContact O-N 2.72Å; W65-C116 HydrophobicContact CH2-CB 3.82Å; W65-C116 HydrophobicContact CZ3-CB 3.89Å; W65-C116 VanDerWaalsContact CZ3-SG 3.59Å; I99-C116 HydrophobicContact CD1-CB 4.19Å; I99-C116 HydrophobicContact CG1-CB 4.35Å; G100-C116 CarbonylContact O-C 3.36Å; G100-C116 WeakPolarHBondContact O-CA 3.42Å; C101-C116 HydrophobicContact CB-CB 4.08Å; C101-C116 WeakPolarHBondContact CB-SG 3.19Å; C101-C116 WeakPolarHBondContact SG-CB 3.43Å; C101-C116 CovalentContact SG-SG 2.04Å; C101-C116 PolarHBondContact SG-SG 3.37Å; F114-C116 WeakPolarHBondContact CE1-SG 3.42Å; C116-F118 HydrophobicContact CB-CD2 4.46Å; C116-F118 HydrophobicContact CB-CE2 3.8Å; C116-F118 HydrophobicContact CB-CZ 4.42Å
117A97.1Very high91Very high0 Ų057.3 Ų57.30%031%0.311CS..EExtended strand (participates in β ladder)trans-98.1132.3169.300000109.8L24 A28 G45 Y46 I99 G100L24-A117 HydrophobicContact CB-CB 4.14Å; L24-A117 HydrophobicContact CD2-CB 4.05Å; L24-A117 WeakPolarHBondContact O-CB 3.28Å; A28-A117 HydrophobicContact CB-CB 4.07Å; G45-A117 CarbonylContact O-C 3.56Å; G45-A117 WeakPolarHBondContact O-CA 3.31Å; Y46-A117 HydrophobicContact CD1-CB 3.79Å; Y46-A117 HydrophobicContact CE1-CB 3.41Å; Y46-A117 VanDerWaalsContact CE1-CB 3.41Å; I99-A117 CarbonylContact C-O 3.47Å; I99-A117 VanDerWaalsContact CA-O 3.31Å; I99-A117 WeakPolarHBondContact CA-O 3.35Å; I99-A117 WeakPolarHBondContact CG1-O 3.27Å; G100-A117 PolarHBondContact N-O 3.48Å; G100-A117 PolarHBondContact O-N 3.24Å
118F97.3Very high91.3Very high4 Ų455.4 Ų55.42%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-113.6131.3178.2-64.9-106.4000108.5M1 L18 Y44 G45 L47 Q90 I99 C116 N120M1-F118 HydrophobicContact CG-CE1 4.42Å; M1-F118 HydrophobicContact SD-CZ 4.43Å; L18-F118 HydrophobicContact CD1-CD1 4.03Å; L18-F118 HydrophobicContact CD1-CE1 3.79Å; Y44-F118 WeakPolarHBondContact CA-O 2.99Å; Y44-F118 WeakPolarHBondContact CB-O 3.48Å; G45-F118 PolarHBondContact N-O 3.18Å; G45-F118 PolarHBondContact O-N 3.02Å; L47-F118 HydrophobicContact CB-CE2 4.13Å; L47-F118 HydrophobicContact CD1-CE2 3.59Å; L47-F118 HydrophobicContact CD1-CZ 3.72Å; L47-F118 HydrophobicContact CG-CD2 4.38Å; L47-F118 HydrophobicContact CG-CE2 3.66Å; L47-F118 HydrophobicContact CG-CZ 4.32Å; Q90-F118 HydrophobicContact CG-CD2 4.42Å; I99-F118 HydrophobicContact CD1-CD1 4.09Å; I99-F118 HydrophobicContact CD1-CE1 3.56Å; I99-F118 HydrophobicContact CD1-CE2 4.15Å; I99-F118 HydrophobicContact CD1-CZ 3.59Å; I99-F118 HydrophobicContact CG1-CD1 4.21Å; I99-F118 HydrophobicContact CG1-CE1 4.19Å; I99-F118 HydrophobicContact CG1-CG 4.41Å; I99-F118 HydrophobicContact CG1-CZ 4.34Å; C116-F118 HydrophobicContact CB-CD2 4.46Å; C116-F118 HydrophobicContact CB-CE2 3.8Å; C116-F118 HydrophobicContact CB-CZ 4.42Å; F118-N120 PolarHBondContact O-N 3.19Å; F118-N120 VanDerWaalsContact O-N 3.11Å
119E96.3Very high92Very high52 Ų5253 Ų5324%0.24327%0.272CS..SBendtrans-54.9-32.5-179.4-172.9166.9-122.700113.1K21 L24 G97 K98K21-E119 IonicContact NZ-OE1 3.7Å; L24-E119 HydrophobicContact CD1-CB 4.07Å; G97-E119 WeakPolarHBondContact CA-OE2 3.05Å; K98-E119 HydrophobicContact CB-CB 4.13Å; K98-E119 WeakPolarHBondContact CD-OE1 3.48Å; K98-E119 PolarHBondContact N-OE2 3.07Å; K98-E119 WeakPolarHBondContact O-CB 3.32Å; K98-E119 PolarHBondContact O-N 3.2Å
120N95.1Very high92.8Very high32 Ų3247.2 Ų47.217%0.17126%0.255CS..SBendtrans-114.4113.1178.5-62.5-75000111Q90 Y93 K95 R96 F118Q90-N120 PolarHBondContact NE2-O 3.22Å; Y93-N120 HydrophobicContact CD1-CB 4.23Å; Y93-N120 HydrophobicContact CE1-CB 3.99Å; K95-N120 HydrophobicContact CD-CB 4.14Å; K95-N120 WeakPolarHBondContact CD-OD1 3.4Å; K95-N120 WeakPolarHBondContact CE-OD1 3.24Å; K95-N120 PolarHBondContact NZ-OD1 2.92Å; R96-N120 PolarHBondContact O-ND2 2.94Å; F118-N120 PolarHBondContact O-N 3.19Å; F118-N120 VanDerWaalsContact O-N 3.11Å
121K95Very high93.4Very high85 Ų8548.8 Ų48.837%0.3726%0.257SS..PPolyproline II helixtrans-69134.3164.6-166172.2-168172.30110D40 S42 T43 Q90 P123D40-K121 PolarHBondContact O-NZ 2.84Å; S42-K121 WeakPolarHBondContact O-CD 3.32Å; S42-K121 PolarHBondContact O-NZ 3.45Å; T43-K121 WeakPolarHBondContact O-CB 3.45Å; Q90-K121 VanDerWaalsContact OE1-CA 3.3Å; K121-P123 WeakPolarHBondContact O-CD 3.31Å
122I93.5Very high93.7Very high27 Ų2746.9 Ų46.914%0.13825%0.254CS..PPolyproline II helixtrans-69.7127.5173.2-170.8168.7000110.1L89 Q90 Y93 P128L89-I122 HydrophobicContact CB-CD1 4.11Å; L89-I122 HydrophobicContact CB-CG2 4.31Å; Q90-I122 HydrophobicContact CB-CG2 4.11Å; Y93-I122 HydrophobicContact CD1-CB 4Å; Y93-I122 HydrophobicContact CD1-CG1 4.38Å; Y93-I122 HydrophobicContact CD2-CB 4.13Å; Y93-I122 HydrophobicContact CD2-CD1 3.64Å; Y93-I122 HydrophobicContact CD2-CG1 3.64Å; Y93-I122 HydrophobicContact CE1-CB 4.4Å; Y93-I122 HydrophobicContact CE2-CD1 4.27Å; Y93-I122 HydrophobicContact CE2-CG1 3.9Å; Y93-I122 HydrophobicContact CG-CB 3.85Å; Y93-I122 HydrophobicContact CG-CD1 4.06Å; Y93-I122 HydrophobicContact CG-CG1 3.91Å; I122-P128 HydrophobicContact CD1-CB 4.32Å
123P91.5Very high93.5Very high66 Ų6649 Ų4943%0.42928%0.276SS..PPolyproline II helixtrans-71.9147.6176.1-13.928.6000111.5K121 G125 I126K121-P123 WeakPolarHBondContact O-CD 3.31Å; P123-G125 PolarHBondContact O-N 3.15Å; P123-I126 HydrophobicContact CB-CG1 3.77Å; P123-I126 HydrophobicContact CG-CG1 4.09Å; P123-I126 WeakPolarHBondContact O-CB 3.34Å; P123-I126 PolarHBondContact O-N 3.33Å
124K87Confident93.2Very high215 Ų21551.8 Ų51.894%0.93529%0.288SS*.THydrogen-bonded Turntrans-58.8132.3179.6-68.4-174.2175.8-175.50111.4I126K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 2.78Å
125G85.9Confident92.8Very high80 Ų8051.6 Ų51.683%0.82529%0.289SS*.THydrogen-bonded Turntrans80.9-0.4176.900000115.5P123P123-G125 PolarHBondContact O-N 3.15Å
126I90.7Very high92.6Very high80 Ų8055 Ų5541%0.4131%0.313SS..  trans-85.1137.1174.3-58.6-58.9000109.7Y93 P123 K124Y93-I126 HydrophobicContact CE2-CG2 4.23Å; P123-I126 HydrophobicContact CB-CG1 3.77Å; P123-I126 HydrophobicContact CG-CG1 4.09Å; P123-I126 WeakPolarHBondContact O-CB 3.34Å; P123-I126 PolarHBondContact O-N 3.33Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 2.78Å
127V92.6Very high92.3Very high61 Ų6157.3 Ų57.337%0.3733%0.329SS..  trans-68.5144.3173.8-65.40000110.3M77 Y129M77-V127 HydrophobicContact CB-CB 4.28Å; M77-V127 HydrophobicContact CB-CG1 3.89Å; V127-Y129 PolarHBondContact O-N 3.2Å
128P95Very high91.9Very high0 Ų059 Ų590%034%0.341CS..SBendtrans-68.4-35.2-175.227.1-33.6000111.9F72 M77 F88 L89 T92 Y93 Y94 I122F72-P128 HydrophobicContact CE2-CG 4.48Å; F72-P128 HydrophobicContact CZ-CG 4.24Å; M77-P128 HydrophobicContact CE-CG 3.81Å; F88-P128 HydrophobicContact CE1-CG 4.21Å; L89-P128 HydrophobicContact CD2-CB 4.15Å; L89-P128 HydrophobicContact CD2-CG 3.82Å; T92-P128 WeakPolarHBondContact OG1-CB 3.35Å; Y93-P128 CarbonylContact C-O 3.17Å; Y93-P128 WeakPolarHBondContact CA-O 3.33Å; Y94-P128 WeakPolarHBondContact CB-O 3.45Å; Y94-P128 WeakPolarHBondContact CD1-O 3.36Å; Y94-P128 PolarHBondContact N-O 2.86Å; I122-P128 HydrophobicContact CD1-CB 4.32Å
129Y94.9Very high91.3Very high2 Ų260.8 Ų60.81%0.00836%0.356CS..SBendtrans-157165.9177.256.8-91.4000111.9V8 P9 A12 M15 M77 F88 V127 K131V8-Y129 HydrophobicContact CB-CD1 4.37Å; V8-Y129 HydrophobicContact CB-CE1 3.67Å; V8-Y129 HydrophobicContact CB-CE2 4.21Å; V8-Y129 HydrophobicContact CG1-CE1 4.08Å; V8-Y129 HydrophobicContact CG2-CD1 4.09Å; V8-Y129 HydrophobicContact CG2-CD2 3.99Å; V8-Y129 HydrophobicContact CG2-CE1 3.77Å; V8-Y129 HydrophobicContact CG2-CE2 3.63Å; V8-Y129 HydrophobicContact CG2-CG 4.21Å; P9-Y129 WeakPolarHBondContact CD-OH 3.29Å; P9-Y129 PolarHBondContact O-OH 3.12Å; A12-Y129 HydrophobicContact CB-CD2 3.53Å; A12-Y129 HydrophobicContact CB-CE2 4.24Å; A12-Y129 HydrophobicContact CB-CG 3.9Å; M15-Y129 HydrophobicContact CE-CD1 3.85Å; M15-Y129 HydrophobicContact CE-CG 3.9Å; M77-Y129 HydrophobicContact CE-CD1 3.89Å; M77-Y129 HydrophobicContact CE-CD2 3.7Å; M77-Y129 HydrophobicContact CE-CE1 3.64Å; M77-Y129 HydrophobicContact CE-CE2 3.46Å; M77-Y129 VanDerWaalsContact CE-CE2 3.46Å; M77-Y129 HydrophobicContact CE-CG 3.91Å; M77-Y129 VanDerWaalsContact CE-CZ 3.4Å; M77-Y129 VanDerWaalsContact CE-O 3.32Å; M77-Y129 WeakPolarHBondContact CE-O 3.37Å; M77-Y129 HydrophobicContact SD-CE2 4.38Å; F88-Y129 HydrophobicContact CE1-CE1 4.48Å; F88-Y129 HydrophobicContact CZ-CE1 4.15Å; V127-Y129 PolarHBondContact O-N 3.2Å; Y129-K131 HydrophobicContact CE2-CG 3.96Å
130E93.7Very high90.5Very high95 Ų9568.4 Ų68.444%0.44439%0.392SS..  trans-88.4117.5172.9-73.3176.3-124.200111A12 K13 N14A12-E130 CarbonylContact C-O 3.59Å; A12-E130 WeakPolarHBondContact CA-O 3.35Å; K13-E130 HydrophobicContact CB-CB 4.33Å; K13-E130 HydrophobicContact CD-CB 4.3Å; K13-E130 PolarHBondContact N-O 3.31Å; N14-E130 WeakPolarHBondContact ND2-CG 3.3Å; N14-E130 PolarHBondContact ND2-OE1 3.07Å; N14-E130 PolarHBondContact OD1-N 3.38Å; N14-E130 VanDerWaalsContact OD1-N 3.11Å
131K92.8Very high90Very high74 Ų7470.6 Ų70.632%0.32240%0.403SS..BIsolated β-bridgetrans-62.2141.2177.4-83.8-172.3162-172.10113P9 G11 K13 T74 M77 Y129P9-K131 VanDerWaalsContact O-CE 3.31Å; P9-K131 WeakPolarHBondContact O-CE 3.41Å; G11-K131 WeakPolarHBondContact O-CA 3.4Å; K13-K131 WeakPolarHBondContact CE-O 3.45Å; T74-K131 WeakPolarHBondContact O-CE 3.38Å; T74-K131 PolarHBondContact O-NZ 2.86Å; M77-K131 HydrophobicContact CE-CG 4.33Å; M77-K131 HydrophobicContact CG-CD 4.34Å; M77-K131 HydrophobicContact CG-CG 4.49Å; M77-K131 HydrophobicContact SD-CD 4.06Å; M77-K131 HydrophobicContact SD-CG 4.06Å; Y129-K131 HydrophobicContact CE2-CG 3.96Å
132G91.9Very high89.4Confident26 Ų2667.8 Ų67.827%0.26839%0.392SS..SBendtrans141.6-166.4170.900000113.5G10 G11 A12 Q134G10-G132 PolarHBondContact O-N 3.42Å; G11-G132 CarbonylContact C-O 3.18Å; G11-G132 WeakPolarHBondContact CA-O 3.4Å; G11-G132 PolarHBondContact O-N 2.94Å; A12-G132 PolarHBondContact N-O 2.95Å; G132-Q134 PolarHBondContact O-N 3.07Å
133S89.3Confident88.9Confident93 Ų9372.4 Ų72.465%0.6541%0.411SS*.SBendtrans-51125179.8-52.60000111.5K13 C135 S136K13-S133 WeakPolarHBondContact CA-O 3.37Å; S133-C135 PolarHBondContact O-N 2.86Å; S133-S136 WeakPolarHBondContact O-CB 3.35Å; S133-S136 PolarHBondContact O-N 2.92Å; S133-S136 PolarHBondContact O-OG 3.33Å
134Q88.8Confident88.7Confident70 Ų7072.9 Ų72.933%0.32741%0.414SS..THydrogen-bonded Turntrans-57.3140.3-174.9-68.5155-42.100110.9A6 A12 G132 S136 E147A6-Q134 PolarHBondContact O-NE2 2.95Å; A12-Q134 WeakPolarHBondContact O-CA 3.16Å; G132-Q134 PolarHBondContact O-N 3.07Å; Q134-S136 PolarHBondContact O-N 2.89Å; Q134-S136 VanDerWaalsContact O-N 3.11Å; Q134-E147 HydrophobicContact CB-CB 3.92Å; Q134-E147 HydrophobicContact CB-CG 4.29Å; Q134-E147 HydrophobicContact CG-CB 4.03Å; Q134-E147 HydrophobicContact CG-CG 4.44Å; Q134-E147 VanDerWaalsContact NE2-CD 3.28Å; Q134-E147 PolarHBondContact NE2-OE2 3.11Å; Q134-E147 VanDerWaalsContact OE1-CD 3.23Å
135C87Confident88.3Confident18 Ų1865.9 Ų65.912%0.12239%0.39CS..THydrogen-bonded Turntrans60.86.7-177.6-54.10000117.4A12 K13 S133 S137 C138 C144 K148A12-C135 PolarHBondContact O-N 2.96Å; K13-C135 CarbonylContact O-C 3.45Å; K13-C135 VanDerWaalsContact O-CA 3.23Å; K13-C135 WeakPolarHBondContact O-CA 3.42Å; K13-C135 PolarHBondContact O-N 2.75Å; S133-C135 PolarHBondContact O-N 2.86Å; C135-S137 PolarHBondContact O-N 3.12Å; C135-C138 VanDerWaalsContact CA-SG 3.57Å; C135-C138 VanDerWaalsContact CB-SG 3.54Å; C135-C138 PolarHBondContact O-N 3.13Å; C135-C138 PolarHBondContact O-SG 2.74Å; C135-C138 VanDerWaalsContact O-SG 3.41Å; C135-C144 HydrophobicContact CB-CB 3.37Å; C135-C144 WeakPolarHBondContact CB-SG 3.49Å; C135-C144 WeakPolarHBondContact SG-CA 3.42Å; C135-C144 WeakPolarHBondContact SG-CB 3.2Å; C135-C144 CovalentContact SG-SG 2.03Å; C135-C144 PolarHBondContact SG-SG 2.82Å; C135-K148 PolarHBondContact SG-N 3.39Å; C135-K148 VanDerWaalsContact SG-N 3.36Å
136S91.2Very high87.9Confident70 Ų7067.3 Ų67.349%0.4938%0.383SS..THydrogen-bonded Turntrans-67.4-3.3-178.181.20000114.6K13 S133 Q134K13-S136 WeakPolarHBondContact CB-OG 3.42Å; K13-S136 VanDerWaalsContact CG-OG 3.26Å; K13-S136 WeakPolarHBondContact CG-OG 3.18Å; K13-S136 PolarHBondContact O-N 2.98Å; S133-S136 WeakPolarHBondContact O-CB 3.35Å; S133-S136 PolarHBondContact O-N 2.92Å; S133-S136 PolarHBondContact O-OG 3.33Å; Q134-S136 PolarHBondContact O-N 2.89Å; Q134-S136 VanDerWaalsContact O-N 3.11Å
137S92.4Very high87.2Confident54 Ų5467.2 Ų67.238%0.37838%0.381SS..THydrogen-bonded Turntrans-142.535.6-177.5-540000111.9K13 C135K13-S137 CarbonylContact O-C 3.41Å; K13-S137 PolarHBondContact O-N 2.86Å; C135-S137 PolarHBondContact O-N 3.12Å
138C88.5Confident86.8Confident35 Ų3564.9 Ų64.924%0.23637%0.365CS..  trans-66.8152.7164.5-580000111.2C135 E142 C149C135-C138 VanDerWaalsContact CA-SG 3.57Å; C135-C138 VanDerWaalsContact CB-SG 3.54Å; C135-C138 PolarHBondContact O-N 3.13Å; C135-C138 PolarHBondContact O-SG 2.74Å; C135-C138 VanDerWaalsContact O-SG 3.41Å; C138-E142 HydrophobicContact CB-CB 3.96Å; C138-C149 WeakPolarHBondContact CA-SG 3.33Å; C138-C149 HydrophobicContact CB-CB 3.66Å; C138-C149 WeakPolarHBondContact CB-SG 3.48Å; C138-C149 WeakPolarHBondContact SG-CA 3.43Å; C138-C149 WeakPolarHBondContact SG-CB 3.34Å; C138-C149 CovalentContact SG-SG 2.04Å; C138-C149 PolarHBondContact SG-SG 3.38Å
139A83.9Confident86.5Confident41 Ų4164.9 Ų64.934%0.33937%0.366SS..  trans-71.3163.2174.100000111.9D141 E142A139-D141 WeakPolarHBondContact CB-OD1 3.38Å; A139-D141 PolarHBondContact O-N 3.27Å; A139-D141 VanDerWaalsContact O-N 3.16Å; A139-E142 HydrophobicContact CB-CG 4.3Å; A139-E142 WeakPolarHBondContact CB-OE2 3.36Å; A139-E142 PolarHBondContact N-OE2 3.09Å; A139-E142 WeakPolarHBondContact O-CB 3.44Å; A139-E142 PolarHBondContact O-N 3.15Å
140Q80.5Confident86.2Confident213 Ų21366.3 Ų66.3100%0.99538%0.375SS*.THydrogen-bonded Turntrans-64-21.7-174.4-69.2-178.5-34.300114.1
141D83.6Confident85.5Confident77 Ų7765.7 Ų65.741%0.41237%0.372SS..THydrogen-bonded Turntrans-89.3-2.6177.156.8-34.9000113.8R96 A139 H151R96-D141 IonicContact NH2-OD2 2.66Å; R96-D141 PolarHBondContact NH2-OD2 2.85Å; A139-D141 WeakPolarHBondContact CB-OD1 3.38Å; A139-D141 PolarHBondContact O-N 3.27Å; A139-D141 VanDerWaalsContact O-N 3.16Å; D141-H151 IonicContact OD2-CE1 2.72Å; D141-H151 PolarHBondContact OD2-CE1 3.11Å; D141-H151 IonicContact OD2-ND1 3.97Å; D141-H151 IonicContact OD2-NE2 3.48Å; D141-H151 PolarHBondContact OD2-NE2 2.88Å
142E83.1Confident84Confident27 Ų2767.7 Ų67.713%0.12639%0.386CS..EExtended strand (participates in β ladder)trans-107.1147.6-175.2-70.3172157.800112.6R96 C138 A139 C149 C150 H151R96-E142 WeakPolarHBondContact CD-OE1 3.22Å; R96-E142 IonicContact CZ-OE1 3.89Å; R96-E142 IonicContact NE-OE1 2.61Å; R96-E142 IonicContact NH1-OE1 2.99Å; R96-E142 PolarHBondContact NH1-OE1 3.3Å; C138-E142 HydrophobicContact CB-CB 3.96Å; A139-E142 HydrophobicContact CB-CG 4.3Å; A139-E142 WeakPolarHBondContact CB-OE2 3.36Å; A139-E142 PolarHBondContact N-OE2 3.09Å; A139-E142 WeakPolarHBondContact O-CB 3.44Å; A139-E142 PolarHBondContact O-N 3.15Å; E142-C149 HydrophobicContact CB-CB 4.24Å; E142-C149 HydrophobicContact CG-CB 4.43Å; E142-C149 VanDerWaalsContact OE2-CB 3.3Å; E142-C149 WeakPolarHBondContact OE2-CB 3.47Å; E142-C150 CarbonylContact C-O 3.48Å; E142-C150 WeakPolarHBondContact CA-O 3.03Å; E142-H151 VanDerWaalsContact CG-ND1 3.32Å; E142-H151 WeakPolarHBondContact CG-ND1 3.22Å; E142-H151 IonicContact OE1-CE1 2.64Å; E142-H151 IonicContact OE1-ND1 3.99Å
143K83.1Confident82.1Confident124 Ų12470 Ų7054%0.53941%0.41SS..EExtended strand (participates in β ladder)trans-109.3146.2163.4-76.4-163.8-175162.30110.7T145 C150 L152K143-T145 PolarHBondContact O-N 3.1Å; K143-C150 PolarHBondContact N-O 2.98Å; K143-C150 PolarHBondContact O-N 2.99Å; K143-L152 HydrophobicContact CB-CD2 4.35Å; K143-L152 HydrophobicContact CD-CD1 4.43Å; K143-L152 HydrophobicContact CD-CD2 3.51Å; K143-L152 HydrophobicContact CD-CG 4.25Å; K143-L152 HydrophobicContact CG-CD1 4.18Å; K143-L152 HydrophobicContact CG-CD2 3.77Å; K143-L152 HydrophobicContact CG-CG 3.99Å
144C86.1Confident79.8Confident75 Ų7568.8 Ų68.851%0.50741%0.412SS..EExtended strand (participates in β ladder)trans-66.4112.1164-168.80000109.5C135 K148C135-C144 HydrophobicContact CB-CB 3.37Å; C135-C144 WeakPolarHBondContact CB-SG 3.49Å; C135-C144 WeakPolarHBondContact SG-CA 3.42Å; C135-C144 WeakPolarHBondContact SG-CB 3.2Å; C135-C144 CovalentContact SG-SG 2.03Å; C135-C144 PolarHBondContact SG-SG 2.82Å; C144-K148 CarbonylContact C-O 3.56Å; C144-K148 VanDerWaalsContact CA-O 3.32Å; C144-K148 WeakPolarHBondContact CA-O 3.21Å
145T79.5Confident77.3Confident69 Ų6973.8 Ų73.842%0.42343%0.433SS..EExtended strand (participates in β ladder)trans-126.2110.9176.4-53.60000108.1K143 E147 K148K143-T145 PolarHBondContact O-N 3.1Å; T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 PolarHBondContact O-N 3.47Å; T145-K148 PolarHBondContact N-O 3.36Å; T145-K148 PolarHBondContact O-N 3.44Å
146T76.6Confident75.2Confident110 Ų11081 Ų8168%0.67547%0.465SS*.THydrogen-bonded Turntrans50.556.2-176.8-40.30000110.9K148T146-K148 PolarHBondContact O-N 3.18Å; T146-K148 PolarHBondContact O-NZ 3.06Å
147E76.2Confident72.5Confident78 Ų7885.8 Ų85.836%0.36448%0.479SS..THydrogen-bonded Turntrans6422.5173.2-59.4165-175.900114.9A6 Q134 T145A6-E147 HydrophobicContact CB-CB 3.93Å; Q134-E147 HydrophobicContact CB-CB 3.92Å; Q134-E147 HydrophobicContact CB-CG 4.29Å; Q134-E147 HydrophobicContact CG-CB 4.03Å; Q134-E147 HydrophobicContact CG-CG 4.44Å; Q134-E147 VanDerWaalsContact NE2-CD 3.28Å; Q134-E147 PolarHBondContact NE2-OE2 3.11Å; Q134-E147 VanDerWaalsContact OE1-CD 3.23Å; T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 PolarHBondContact O-N 3.47Å
148K85.1Confident70.2Confident11 Ų1189.8 Ų89.85%0.04850%0.496CS..EExtended strand (participates in β ladder)trans-135.6154.8175.9-66.3172.6-68-66.90112N2 R5 A6 M15 C17 C135 C144 T145 T146 C150N2-K148 HydrophobicContact CB-CD 4.43Å; N2-K148 VanDerWaalsContact O-CD 3.29Å; N2-K148 WeakPolarHBondContact O-CD 3.44Å; N2-K148 WeakPolarHBondContact O-CE 3.47Å; N2-K148 PolarHBondContact O-NZ 2.76Å; R5-K148 HydrophobicContact CB-CD 4.33Å; A6-K148 HydrophobicContact CB-CG 4.25Å; M15-K148 HydrophobicContact CB-CG 4.44Å; M15-K148 HydrophobicContact CG-CG 4Å; M15-K148 CarbonylContact O-C 3.54Å; M15-K148 VanDerWaalsContact O-CA 3.23Å; M15-K148 WeakPolarHBondContact O-CA 3.18Å; M15-K148 VanDerWaalsContact O-CB 3.28Å; M15-K148 WeakPolarHBondContact O-CB 3.4Å; C17-K148 WeakPolarHBondContact SG-CB 3.38Å; C135-K148 PolarHBondContact SG-N 3.39Å; C135-K148 VanDerWaalsContact SG-N 3.36Å; C144-K148 CarbonylContact C-O 3.56Å; C144-K148 VanDerWaalsContact CA-O 3.32Å; C144-K148 WeakPolarHBondContact CA-O 3.21Å; T145-K148 PolarHBondContact N-O 3.36Å; T145-K148 PolarHBondContact O-N 3.44Å; T146-K148 PolarHBondContact O-N 3.18Å; T146-K148 PolarHBondContact O-NZ 3.06Å; K148-C150 PolarHBondContact O-N 2.77Å
149C88Confident67.9Low1 Ų196.1 Ų96.11%0.00752%0.523CS..EExtended strand (participates in β ladder)trans-82.3106.6173.4-51.50000110.5M15 G16 C17 C138 E142M15-C149 PolarHBondContact O-N 3.21Å; G16-C149 WeakPolarHBondContact CA-O 3.44Å; C17-C149 PolarHBondContact N-O 3.38Å; C17-C149 VanDerWaalsContact SG-C 3.51Å; C17-C149 PolarHBondContact SG-O 2.84Å; C138-C149 WeakPolarHBondContact CA-SG 3.33Å; C138-C149 HydrophobicContact CB-CB 3.66Å; C138-C149 WeakPolarHBondContact CB-SG 3.48Å; C138-C149 WeakPolarHBondContact SG-CA 3.43Å; C138-C149 WeakPolarHBondContact SG-CB 3.34Å; C138-C149 CovalentContact SG-SG 2.04Å; C138-C149 PolarHBondContact SG-SG 3.38Å; E142-C149 HydrophobicContact CB-CB 4.24Å; E142-C149 HydrophobicContact CG-CB 4.43Å; E142-C149 VanDerWaalsContact OE2-CB 3.3Å; E142-C149 WeakPolarHBondContact OE2-CB 3.47Å
150C88Confident65.5Low31 Ų31103.5 Ų103.521%0.20955%0.547CS..EExtended strand (participates in β ladder)trans-113.7144.7179.2-82.20000110.5C17 E142 K143 K148C17-C150 HydrophobicContact CB-CB 4.09Å; C17-C150 WeakPolarHBondContact CB-SG 3.48Å; C17-C150 WeakPolarHBondContact SG-CA 3.46Å; C17-C150 WeakPolarHBondContact SG-CB 3.26Å; C17-C150 CovalentContact SG-SG 2.03Å; C17-C150 PolarHBondContact SG-SG 3.14Å; E142-C150 CarbonylContact C-O 3.48Å; E142-C150 WeakPolarHBondContact CA-O 3.03Å; K143-C150 PolarHBondContact N-O 2.98Å; K143-C150 PolarHBondContact O-N 2.99Å; K148-C150 PolarHBondContact O-N 2.77Å
151H80.1Confident63.4Low82 Ų82101.9 Ų101.938%0.3854%0.537SS..EExtended strand (participates in β ladder)trans-70.7144.2168.1-78.94.6000112.2R96 D141 E142 G153 G154R96-H151 VanDerWaalsContact CZ-NE2 3.34Å; R96-H151 PolarHBondContact NE-CE1 3Å; R96-H151 PolarHBondContact NE-NE2 2.9Å; R96-H151 PolarHBondContact NH1-CE1 3.02Å; R96-H151 PolarHBondContact NH2-CE1 2.84Å; R96-H151 PolarHBondContact NH2-NE2 2.78Å; D141-H151 IonicContact OD2-CE1 2.72Å; D141-H151 PolarHBondContact OD2-CE1 3.11Å; D141-H151 IonicContact OD2-ND1 3.97Å; D141-H151 IonicContact OD2-NE2 3.48Å; D141-H151 PolarHBondContact OD2-NE2 2.88Å; E142-H151 VanDerWaalsContact CG-ND1 3.32Å; E142-H151 WeakPolarHBondContact CG-ND1 3.22Å; E142-H151 IonicContact OE1-CE1 2.64Å; E142-H151 IonicContact OE1-ND1 3.99Å; H151-G153 PolarHBondContact O-N 3Å; H151-G154 PolarHBondContact O-N 2.81Å
152L60.2Low61.3Low117 Ų117105.9 Ų105.961%0.61356%0.558SS**THydrogen-bonded Turntrans-68.2-13.6-175.5-87.9171.5000116K143K143-L152 HydrophobicContact CB-CD2 4.35Å; K143-L152 HydrophobicContact CD-CD1 4.43Å; K143-L152 HydrophobicContact CD-CD2 3.51Å; K143-L152 HydrophobicContact CD-CG 4.25Å; K143-L152 HydrophobicContact CG-CD1 4.18Å; K143-L152 HydrophobicContact CG-CD2 3.77Å; K143-L152 HydrophobicContact CG-CG 3.99Å
153G53.1Low59.2Low75 Ų75111.2 Ų111.277%0.77359%0.587SS**THydrogen-bonded Turntrans-87.4-11.317900000115.2H151 K155H151-G153 PolarHBondContact O-N 3Å; G153-K155 PolarHBondContact O-N 3.41Å
154G41.6Very low57.2Low67 Ų67111.8 Ų111.869%0.69160%0.596SS**  trans-81.573.7-172.800000114.3H151H151-G154 PolarHBondContact O-N 2.81Å
155K36.5Very low55.3Low174 Ų174116.4 Ų116.476%0.75762%0.616SS**  trans-68.9141.1156.5-81.3-178.8179.2171.80109.1G153 E157G153-K155 PolarHBondContact O-N 3.41Å; K155-E157 HydrophobicContact CB-CG 4.07Å; K155-E157 PolarHBondContact O-N 3.09Å
156E41.2Very low53.7Low170 Ų170122.4 Ų122.479%0.79464%0.636SS**  trans-73.469.2176.7-65.8172.4130.500111D158E156-D158 PolarHBondContact O-N 2.75Å
157E35.9Very low51.9Low170 Ų170126.4 Ų126.479%0.79464%0.644SS**THydrogen-bonded Turntrans-78.345.1179.7-63.1-162.1167.600113.7K155K155-E157 HydrophobicContact CB-CG 4.07Å; K155-E157 PolarHBondContact O-N 3.09Å
158D42.7Very low50.1Low138 Ų138132.2 Ų132.274%0.73867%0.668SS**THydrogen-bonded Turntrans-135.22.9172.1-98.1-35000113.2E156E156-D158 PolarHBondContact O-N 2.75Å
159Q40.3Very low48.2Very low169 Ų169139.3 Ų139.379%0.7971%0.707SS**SBendtrans-112.517.8-171.1-117.1-175.23.500116.4
160K34.5Very low46.1Very low196 Ų196147.9 Ų147.985%0.85275%0.747SS**SBendtrans-14045-174.6-144.4174.6-170.9177.90116.3
161K36Very low44.1Very low179 Ų179154 Ų15478%0.77878%0.777SS**SBendtrans-143.725.2175.6-129.6173.2-171.2172.70117
162N39.4Very low42.6Very low160 Ų160160.3 Ų160.386%0.85680%0.803SS**SBendtrans-1097.6177.1-74.2-6.4000114.4
163D39.6Very low41.9Very low140 Ų140164.1 Ų164.175%0.74982%0.815SS**SBendtrans-105.1-3.5-175.4-69-44000115
164D40.8Very low41.5Very low135 Ų135169.1 Ų169.172%0.72282%0.816SS**SBendtrans-91.5-12.1-175.2-76.4-40.4000114.9K166D164-K166 VanDerWaalsContact C-N 3.35Å; D164-K166 PolarHBondContact O-N 2.83Å
165D46.9Very low41.9Very low173 Ų173172.6 Ų172.693%0.92582%0.819SS**THydrogen-bonded Turntrans-90.614.4-178.7-84.2-31.1000114.1
166K44.8Very low42.7Very low195 Ų195172.1 Ų172.185%0.84882%0.824SS**THydrogen-bonded Turntrans-128.925.9-177.7-150.1176.9-179176.20115.1D164D164-K166 VanDerWaalsContact C-N 3.35Å; D164-K166 PolarHBondContact O-N 2.83Å
167K39.2Very low43.2Very low193 Ų193171.4 Ų171.484%0.83983%0.826SS**SBendtrans-145.736.5-179.6-139.5174.6-173.5179.10115.7
168K37.9Very low44Very low201 Ų201170.3 Ų170.387%0.87483%0.825SS**  trans-125.526.1173.8-101.4-176.9179.51740114.3
169D46.2Very low44.5Very low159 Ų159172.7 Ų172.785%0.8583%0.829SS**SBendtrans-118.151172.4-72.1-49.3000111.1
170E43.9Very low45Very low181 Ų181172.6 Ų172.685%0.84683%0.826SS**SBendtrans-160.1154.2166.6-107152.8-153.300107.6
171D45.6Very low45.6Very low159 Ų159171.1 Ų171.185%0.8582%0.82SS**  trans6757.2179.4-59.3-26.3000118.7
172K47.6Very low46.3Very low215 Ų215167.7 Ų167.794%0.93581%0.81SS**  trans-138.287.7138.6-119.7179.3-175.4-176.50111.6
173K46.1Very low47.3Very low197 Ų197167.3 Ų167.386%0.85781%0.808SS**  trans-118.3138.6178.1-165.2174.8-169.3172.10107.2
174K45.2Very low47.7Very low181 Ų181167.6 Ų167.679%0.78781%0.809SS**  trans80.7133.9-165.8-56.9-177.2178.6-175.70112.4
175D50.2Low48.3Very low140 Ų140166.6 Ų166.675%0.74980%0.804SS**  cis-136.7-17612.6-75.7-65.2000112.6
176D53.5Low48.6Very low163 Ų163165.2 Ų165.287%0.87279%0.79SS**  trans91.9100.5161.9-59.2-26.1000119.7
177D49.9Very low48.8Very low155 Ų155163.8 Ų163.883%0.82978%0.783SS**  trans-73.6172.6173.6-74.2-63.3000115
178D52.8Low49.1Very low147 Ų147161.8 Ų161.879%0.78678%0.775SS**  trans65.693.7151.3-83.9-25.6000120.3
179K54.8Low49.6Very low189 Ų189157.8 Ų157.882%0.82276%0.763SS**  -171.7116.4103.4-104161.9-176.51600116.7
180K50.4Low49.8Very low167 Ų167158.4 Ų158.473%0.72677%0.766SS**  50.3124123.5-78.5-175175.1174.30122
181K47.2Very low50.1Low165 Ų165157.8 Ų157.872%0.71776%0.764SS**  trans71.9154.9133-64.3-177149.4-87.10117.7
182D50.6Low50.3Low106 Ų106158.7 Ų158.757%0.56776%0.76SS**  cis-164.5-174.8-24.6-96.2-20.1000104.7
183D59Low50.2Low153 Ų153156.6 Ų156.682%0.81875%0.751SS**  trans70.198.3164.9-52-32.5000115.9
184N49.8Very low50.2Low145 Ų145156.5 Ų156.578%0.77575%0.75SS**  cis80.9121.141.9-15620.5000115
185D53.4Low50.4Low114 Ų114153.8 Ų153.861%0.6174%0.744SS**  trans91.8142.3142.1-130-8.4000123.2
186K53.4Low50.5Low144 Ų144155 Ų15563%0.62675%0.751SS**  trans77.9105.8153.1-69.9-174.8-176.671.30124.6
187K48.7Very low50.4Low165 Ų165155 Ų15572%0.71775%0.746SS**  82.2128.7109.9-79.6-173.4171.4-178.40123.2
188K44.8Very low50.3Low151 Ų151155 Ų15566%0.65774%0.738SS**  trans72.4119130.3-68.9-169.7154.9-84.10118.1
189D48.5Very low50.2Low117 Ų117155.8 Ų155.863%0.62674%0.735SS**  69.6112.788.5-54.4-24.8000112.1
190D50.8Low49.8Very low172 Ų172153.7 Ų153.792%0.9273%0.725SS**  -176150.9122.3-98.3-22000113.5
191E50Low49.7Very low169 Ų169151 Ų15179%0.7972%0.719SS**  trans-84149.4179.3-45.8172130.400112.6
192K49Very low49.9Very low178 Ų178149.9 Ų149.977%0.77472%0.721SS**  170.3134.5115.8-99163.3178.5153.70116.8
193K47Very low49.8Very low170 Ų170151.8 Ų151.874%0.73973%0.727SS**  trans26.3128.3134.1-64.7-170.5172-164.90121.4
194K46.2Very low49.4Very low195 Ų195152 Ų15285%0.84872%0.72SS**  -170.6121.9115.5-95.7158.6-176.6-177.30106.8
195D48.1Very low49.3Very low124 Ų124152.6 Ų152.666%0.66372%0.716SS**  57.9105.265.6-60.6-36.5000112.5
196D52.7Low49Very low165 Ų165154.9 Ų154.988%0.88272%0.72SS**  -167.8141.2128.9-106.3-30.7000113.5
197E51Low48.7Very low164 Ų164152.8 Ų152.877%0.76672%0.716SS**  trans-89.2166.2-177.8-44.6167124.700112.4
198K48.7Very low48.9Very low156 Ų156151.7 Ų151.768%0.67872%0.718SS**  165.3130.4114.8-92.1169.9178.51390115.8
199K50Low49.1Very low162 Ų162151.9 Ų151.970%0.70473%0.726SS**  62.3156.3129-62.6-178.9170-169.20119.8
200K46.8Very low49.5Very low145 Ų145153.8 Ų153.863%0.6374%0.737SS**  cis-166.8136.9-16-106.7-178.8166.9-80.20106.1
201D47.9Very low49.5Very low110 Ų110154.1 Ų154.159%0.58873%0.73SS**  81.8163105.3-62.2-5.5000116.1
202D51Low49.7Very low143 Ų143155.3 Ų155.377%0.76573%0.732SS**  trans74.4104166.2-52.9-34.4000117.2
203E49.5Very low49.6Very low146 Ų146155.2 Ų155.268%0.68273%0.732SS**  83.6143.355.5-82.8-141.8142.500116.1
204K49.9Very low50.2Low158 Ų158152.7 Ų152.769%0.68773%0.727SS**  trans69141.4155.4-79-171.9-170.781.90117
205K47.5Very low50.4Low156 Ų156150 Ų15068%0.67872%0.721SS**  cis167152.2-4.7-125.5-176.2-174.6179.50103.8
206K47.3Very low50.8Low162 Ų162149 Ų14970%0.70472%0.716SS**  trans68.5157.8149.9-63.1178.2150.9-78.40117.7
207D48.1Very low51.1Low100 Ų100148.2 Ų148.254%0.53571%0.705SS.*  cis-162.9-174.9-21.5-94.4-16.2000106.5
208D51.7Low51.3Low142 Ų142147.9 Ų147.976%0.75970%0.701SS**  trans72.1112.6158.7-47.3-40.2000116.9
209D50.2Low51.3Low156 Ų156147.3 Ų147.383%0.83470%0.698SS**  51114.372.1-82.2-30000114.1
210D56Low51.5Low157 Ų157144.8 Ų144.884%0.8469%0.692SS**  -166160.9109.3-137.7-22.1000114.8
211K52.1Low52Low179 Ų179143.7 Ų143.778%0.77869%0.694SS**  trans-89144.4176.5-65153.5177.7152.50111.8
212K53.5Low52.1Low194 Ų194145 Ų14584%0.84370%0.701SS**  -167.6130.7124.8-99.7146.6-177.7170.70110
213K47.2Very low52.4Low175 Ų175144.7 Ų144.776%0.76170%0.699SS**  84.8145.950.3-116.7-170.3173.4-143.80114
214D58.6Low52.5Low118 Ų118146 Ų14663%0.63170%0.702SS**  trans73.6144.6162.7-43.4-26000116.3
215D51.5Low52.6Low137 Ų137146.5 Ų146.573%0.73370%0.704SS**  cis-167.1176.6-34.5-124.2-30.2000109.3
216D56.5Low52.8Low103 Ų103144.7 Ų144.755%0.55170%0.702SS**  trans73.6120.8143.8-90-3000124.3
217K57.4Low53.1Low149 Ų149143.2 Ų143.265%0.64870%0.702SS**  66.2147.6122.9-65.6-179.4179.383.50118.6
218K55.2Low53.6Low157 Ų157143.8 Ų143.868%0.68371%0.705SS**  cis-170.3151.95-121.8177.2179.3-178.50109.9
219K50Low53.7Low144 Ų144144 Ų14463%0.62670%0.699SS**  trans61.5126.9133.5-77.6-173.3141.2-68.70122
220D54.2Low53.7Low109 Ų109144.7 Ų144.758%0.58370%0.695SS**  95.7148.6105.8-69.94.1000110.2
221D57.4Low53.3Low123 Ų123144 Ų14466%0.65868%0.684SS**  cis-153144.7-21.1-107.4-48.9000107.2
222N49.4Very low53.3Low138 Ų138140.4 Ų140.474%0.73867%0.674SS**  51.3107.1103.2-115.4-8.2000117.7
223D56.4Low53.3Low135 Ų135137.3 Ų137.372%0.72267%0.666SS**  157.9137.1125.6-90-34.1000109.3
224K53.5Low53.5Low175 Ų175137 Ų13776%0.76167%0.668SS**  cis111.5146.423.7-165178.5-159.2170.20110.3
225K51.9Low53.2Low167 Ų167136.8 Ų136.873%0.72667%0.667SS**  trans93117172.2-56.5-156.8156.8-156.40117.1
226D51.4Low53.1Low119 Ų119137.8 Ų137.864%0.63666%0.664SS**  87.614477.5-55.6-17.5000108.7
227D53.9Low52.5Low130 Ų130142 Ų14270%0.69568%0.678SS**  cis-164.1175.30.5-126.4-30000109.5
228D57.2Low52Low112 Ų112142.8 Ų142.860%0.59968%0.681SS**  trans64.5153.2148.9-79.1-8.2000121.4
229K53.4Low51.7Low147 Ų147140.3 Ų140.364%0.63968%0.675SS**  cis-164.9150.3-16.3-121.2171.8-170.981.50108.5
230K50.6Low51.7Low170 Ų170140.3 Ų140.374%0.73968%0.682SS**  trans36.7145.8131.6-70.9-177.9164.8-179.30120
231K49Very low51.5Low142 Ų142142 Ų14262%0.61769%0.691SS**  cis-177.9169.419.9-126178.3149.5-74.90110.3
232D51.3Low51.2Low105 Ų105141.7 Ų141.756%0.56169%0.69SS**  trans65.5148.7144.4-61.3-4.3000118.9
233D53.6Low51.2Low128 Ų128143.1 Ų143.168%0.68469%0.689SS**  cis-154.5147.51.9-97.5-16.7000108.7
234E50.7Low50.6Low169 Ų169144.9 Ų144.979%0.7969%0.691SS**  52140.599.6-88.6-168.4-15200116.7
235D51.8Low50.3Low114 Ų114145.7 Ų145.761%0.6169%0.694SS**  cis-171.7179.7-1.9-168.210.3000110.7
236K49.4Very low50Low158 Ų158143.3 Ų143.369%0.68769%0.689SS**  trans76.991.3154.2-71.4158.7-174.192.50123.3
237K45.8Very low50.1Low191 Ų191146 Ų14683%0.8370%0.703SS**  46.9147.497.2-138.3176.1-167.2168.70122.4
238K45.2Very low49.7Very low166 Ų166147.1 Ų147.172%0.72271%0.709SS**  trans85.3149.3160.9-62.8-176.4151.1-99.90117.4
239D50.2Low49.5Very low104 Ų104151.1 Ų151.156%0.55672%0.722SS**  cis-166.4166.3-14.3-96.2-18.3000107.6
240N50.4Low48.9Very low144 Ų144153 Ų15377%0.7773%0.73SS**  trans68.3160.1155.5-61.5-10.7000120
241D49Very low48.7Very low145 Ų145152.9 Ų152.978%0.77573%0.729SS**  cis-167.5161.6-40.9-143.3-19.3000109.2
242D50.5Low48.4Very low117 Ų117152.2 Ų152.263%0.62673%0.733SS**  trans75.9148.5147.1-137.94.1000124.8
243K51.2Low48.2Very low168 Ų168153.1 Ų153.173%0.7374%0.737SS**  trans73.480.9156.4-76.7171.1-175.997.70124
244K43.7Very low48.2Very low172 Ų172155.1 Ų155.175%0.74875%0.748SS**  37.1121.6101.4-162.4-178.6-172.9-177.50120.9
245K46.5Very low48.3Very low192 Ų192152.6 Ų152.684%0.83574%0.74SS**  trans-170.9117.4134.5-98164.3-174.6-176.40106.7
246D45.8Very low48.3Very low117 Ų117150.4 Ų150.463%0.62673%0.732SS**  60.2104.879.2-59.8-38.2000112.2
247D52.2Low48.5Very low174 Ų174147.7 Ų147.793%0.9373%0.73SS**  trans-168.7136.7135.3-102.2-22.9000112.7
248D47.1Very low49.3Very low154 Ų154144.9 Ų144.982%0.82472%0.718SS**  trans-72.6137.1-177.5-77.7-70.3000113.7
249K52Low50.7Low196 Ų196138.9 Ų138.985%0.85270%0.695SS**  trans-151.494.5137.2-135.4154.9-167.1159.30115.4K251K249-K251 PolarHBondContact O-N 2.9Å
250K41.9Very low51.9Low187 Ų187138.5 Ų138.581%0.81370%0.701SS**  trans-59.8115.4161.6-166177.2-171174.40109.9
251K46.4Very low53.8Low167 Ų167132.1 Ų132.173%0.72667%0.667SS**  trans-125.3122.3159.1-90.2-166.2166.7-159.70108.7K249K249-K251 PolarHBondContact O-N 2.9Å
252N41.8Very low56Low129 Ų129128.2 Ų128.269%0.6965%0.645SS**  trans-81.9126.2161.2-51.7-20.6000106
253D47.9Very low58.1Low123 Ų123126.9 Ų126.966%0.65863%0.633SS**  trans-147.1102.7164.8-77.9-56000105.6D255D253-D255 PolarHBondContact O-N 2.56Å
254D53Low60.3Low171 Ų171118.9 Ų118.991%0.91460%0.599SS**  trans-77.444.3-172.6-72.5-66.6000113.4
255D52.2Low62.8Low116 Ų116112.6 Ų112.662%0.6257%0.57SS**SBendtrans-124.8124.3179.5-128.5-28.5000109.1D253D253-D255 PolarHBondContact O-N 2.56Å
256P52.3Low65.1Low67 Ų67104.4 Ų104.444%0.43553%0.534SS..  trans-62.8144.218025.6-33.5000111K258P256-K258 PolarHBondContact O-N 2.99Å
257P54.1Low67.5Low101 Ų10198.8 Ų98.866%0.65650%0.504SS*.  trans-65.8101.7-175.526.4-34.4000111V259P257-V259 PolarHBondContact O-N 3.38Å
258K62.1Low69.3Low132 Ų13292.7 Ų92.757%0.57447%0.471SS*.  trans-62.3114176-70.4172.9-176160.60109.9P256 T400 I401P256-K258 PolarHBondContact O-N 2.99Å; K258-T400 HydrophobicContact CB-CG2 4.47Å; K258-I401 WeakPolarHBondContact CA-O 3.45Å
259V73.9Confident71.5Confident40 Ų4086.3 Ų86.324%0.24244%0.436CS..EExtended strand (participates in β ladder)trans-90.3128.2178.8167.50000111P257 P302 T303 T400 I401P257-V259 PolarHBondContact O-N 3.38Å; V259-P302 HydrophobicContact CB-CB 4.33Å; V259-P302 HydrophobicContact CG1-CB 3.9Å; V259-P302 VanDerWaalsContact CG2-O 3.24Å; V259-P302 WeakPolarHBondContact CG2-O 3.38Å; V259-T303 HydrophobicContact CB-CG2 4.12Å; V259-T303 HydrophobicContact CG2-CG2 3.98Å; V259-T400 WeakPolarHBondContact O-CA 3Å; V259-I401 PolarHBondContact N-O 2.87Å; V259-I401 PolarHBondContact O-N 2.91Å
260S75.2Confident73.3Confident97 Ų9782 Ų8268%0.67842%0.418SS*.EExtended strand (participates in β ladder)trans-71.6123.7179.8-173.80000110.6G399S260-G399 WeakPolarHBondContact CA-O 3.47Å
261L91.6Very high75.6Confident10 Ų1078.5 Ų78.55%0.05240%0.402CS..PPolyproline II helixtrans-87.5147.6178.9-61.2179.4000112.5Y295 A297 W396 G399 I401L261-Y295 HydrophobicContact CB-CD1 4.01Å; L261-Y295 HydrophobicContact CB-CG 4.28Å; L261-A297 HydrophobicContact CD2-CB 3.88Å; L261-W396 HydrophobicContact CD1-CB 3.65Å; L261-W396 HydrophobicContact CD1-CD2 3.66Å; L261-W396 HydrophobicContact CD1-CE3 3.88Å; L261-W396 HydrophobicContact CD1-CG 3.54Å; L261-G399 PolarHBondContact N-O 3.26Å; L261-I401 HydrophobicContact CD1-CD1 4.4Å; L261-I401 HydrophobicContact CD1-CG1 3.99Å; L261-I401 HydrophobicContact CD2-CD1 3.68Å; L261-I401 HydrophobicContact CD2-CG1 3.88Å; L261-I401 HydrophobicContact CG-CG1 4.22Å
262M94.2Very high77.7Confident62 Ų6273.4 Ų73.431%0.30538%0.379SS..EExtended strand (participates in β ladder)trans-74135.3173.2-58.5-171.5-59.400110.2L264 T279 Y295 V296 A297M262-L264 PolarHBondContact O-N 2.87Å; M262-T279 HydrophobicContact CB-CG2 4.27Å; M262-T279 HydrophobicContact CE-CG2 3.91Å; M262-T279 HydrophobicContact SD-CG2 4.36Å; M262-Y295 CarbonylContact O-C 3.54Å; M262-Y295 VanDerWaalsContact O-CA 3.26Å; M262-Y295 WeakPolarHBondContact O-CA 3.42Å; M262-V296 HydrophobicContact CB-CG2 4.13Å; M262-V296 HydrophobicContact CE-CG2 3.93Å; M262-V296 PolarHBondContact N-O 3.34Å; M262-V296 PolarHBondContact O-N 2.61Å; M262-A297 WeakPolarHBondContact CE-O 3.4Å
263K95.8Very high80Confident90 Ų9067.2 Ų67.239%0.39135%0.346SS..EExtended strand (participates in β ladder)trans-67.8132.8171.7-72.1177.9178.3-176.70110Y265 T279 Y295K263-Y265 HydrophobicContact CB-CD2 4.33Å; K263-Y265 HydrophobicContact CB-CE2 3.58Å; K263-Y265 VanDerWaalsContact CD-OH 3.26Å; K263-Y265 WeakPolarHBondContact CD-OH 2.93Å; K263-T279 CarbonylContact O-C 3.57Å; K263-T279 VanDerWaalsContact O-CA 3.28Å; K263-T279 WeakPolarHBondContact O-CA 3.2Å; K263-Y295 HydrophobicContact CB-CE1 4.48Å; K263-Y295 HydrophobicContact CD-CE1 4.38Å; K263-Y295 HydrophobicContact CG-CD1 3.92Å; K263-Y295 HydrophobicContact CG-CE1 3.4Å; K263-Y295 VanDerWaalsContact CG-CE1 3.4Å
264L96.6Very high82Confident0 Ų061.6 Ų61.60%032%0.315CS..EExtended strand (participates in β ladder)trans-102.5121.9170.5-169.966.8000108.8M262 L277 F293 G294 V296 I341 M395M262-L264 PolarHBondContact O-N 2.87Å; L264-L277 HydrophobicContact CD1-CB 4.14Å; L264-L277 HydrophobicContact CD2-CD1 4.42Å; L264-F293 HydrophobicContact CD2-CD1 3.93Å; L264-F293 HydrophobicContact CG-CD1 4.47Å; L264-F293 WeakPolarHBondContact O-CA 3.22Å; L264-F293 WeakPolarHBondContact O-CB 3.36Å; L264-F293 PolarHBondContact O-N 3.28Å; L264-G294 PolarHBondContact N-O 2.84Å; L264-G294 PolarHBondContact O-N 3.34Å; L264-V296 HydrophobicContact CB-CG1 4.17Å; L264-V296 HydrophobicContact CD1-CG1 4.47Å; L264-V296 HydrophobicContact CD2-CG1 3.81Å; L264-V296 HydrophobicContact CG-CG1 4.39Å; L264-I341 HydrophobicContact CD1-CD1 4.17Å; L264-M395 HydrophobicContact CD2-SD 4.33Å
265Y96.7Very high83.9Confident39 Ų3953.7 Ų53.715%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-104.9150.1177.9-61.3-87000110.5K263 L277 K278 T280 P281 Q292K263-Y265 HydrophobicContact CB-CD2 4.33Å; K263-Y265 HydrophobicContact CB-CE2 3.58Å; K263-Y265 VanDerWaalsContact CD-OH 3.26Å; K263-Y265 WeakPolarHBondContact CD-OH 2.93Å; Y265-L277 WeakPolarHBondContact O-CA 3.28Å; Y265-K278 PolarHBondContact N-O 3.4Å; Y265-K278 PolarHBondContact O-N 2.85Å; Y265-T280 VanDerWaalsContact CD2-C 3.42Å; Y265-T280 WeakPolarHBondContact CD2-O 3.46Å; Y265-P281 HydrophobicContact CD1-CB 4.19Å; Y265-P281 HydrophobicContact CD2-CB 4.39Å; Y265-P281 HydrophobicContact CE1-CB 3.82Å; Y265-P281 HydrophobicContact CE2-CB 4.05Å; Y265-P281 HydrophobicContact CE2-CG 4.44Å; Y265-P281 HydrophobicContact CG-CB 4.45Å; Y265-Q292 HydrophobicContact CD1-CB 4.44Å; Y265-Q292 HydrophobicContact CE1-CB 4.41Å
266R94.9Very high86Confident20 Ų2048.3 Ų48.38%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-122.7135.8-179.5-177.2179.259.7167.92.2110.9V275 I276 L277 L290 G291 F293 Y372 E378R266-V275 HydrophobicContact CG-CG1 3.57Å; R266-I276 CarbonylContact C-O 3.53Å; R266-I276 WeakPolarHBondContact CA-O 3.4Å; R266-L277 HydrophobicContact CB-CD2 3.81Å; R266-L277 HydrophobicContact CG-CD2 3.75Å; R266-L290 HydrophobicContact CG-CB 4.47Å; R266-L290 HydrophobicContact CG-CD1 4.24Å; R266-L290 WeakPolarHBondContact O-CA 3.32Å; R266-L290 WeakPolarHBondContact O-CB 3.39Å; R266-L290 PolarHBondContact O-N 3.49Å; R266-G291 PolarHBondContact N-O 2.77Å; R266-G291 VanDerWaalsContact N-O 3.13Å; R266-F293 HydrophobicContact CB-CB 3.84Å; R266-F293 HydrophobicContact CB-CD2 4.14Å; R266-F293 HydrophobicContact CB-CG 3.98Å; R266-F293 HydrophobicContact CG-CD2 4.49Å; R266-Y372 WeakPolarHBondContact CD-O 3.46Å; R266-Y372 PolarHBondContact NH1-O 2.95Å; R266-E378 IonicContact CZ-OE1 3.09Å; R266-E378 IonicContact CZ-OE2 3.09Å; R266-E378 IonicContact NH1-OE1 2.71Å; R266-E378 PolarHBondContact NH1-OE1 2.9Å; R266-E378 IonicContact NH1-OE2 2.77Å; R266-E378 PolarHBondContact NH1-OE2 2.85Å; R266-E378 IonicContact NH2-OE1 3.43Å; R266-E378 PolarHBondContact NH2-OE1 3.48Å; R266-E378 IonicContact NH2-OE2 2.66Å
267F95Very high88.1Confident0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-130154.9-179.4-52.2-100.1000110.9V275 I276 K278 A283 E287 V288F267-V275 CarbonylContact O-C 3.48Å; F267-V275 WeakPolarHBondContact O-CA 2.96Å; F267-I276 HydrophobicContact CB-CB 4.35Å; F267-I276 PolarHBondContact N-O 2.02Å; F267-I276 PolarHBondContact O-N 3.1Å; F267-K278 HydrophobicContact CD2-CD 4.4Å; F267-K278 HydrophobicContact CD2-CG 4.32Å; F267-K278 HydrophobicContact CE2-CB 4.06Å; F267-K278 HydrophobicContact CE2-CD 4.11Å; F267-K278 HydrophobicContact CE2-CG 4.13Å; F267-A283 HydrophobicContact CD1-CB 3.92Å; F267-A283 HydrophobicContact CE1-CB 3.78Å; F267-E287 HydrophobicContact CB-CB 4.17Å; F267-E287 HydrophobicContact CD1-CB 4.3Å; F267-V288 CarbonylContact C-O 3.57Å; F267-V288 WeakPolarHBondContact CA-O 3.49Å
268L91.4Very high90.1Very high45 Ų4541.6 Ų41.624%0.23620%0.198CC..EExtended strand (participates in β ladder)trans-110.5128171.3-173.172000109.8K270 G273 V275 E287 V288 L290L268-K270 PolarHBondContact O-N 3.03Å; L268-G273 WeakPolarHBondContact CD1-O 3.28Å; L268-V275 HydrophobicContact CD1-CG2 4.48Å; L268-E287 WeakPolarHBondContact O-CA 3.1Å; L268-V288 PolarHBondContact N-O 2.92Å; L268-V288 PolarHBondContact O-N 3Å; L268-L290 HydrophobicContact CB-CD1 4.25Å; L268-L290 HydrophobicContact CB-CD2 4.4Å; L268-L290 HydrophobicContact CB-CG 4.37Å
269H92.9Very high91.6Very high20 Ų2037.9 Ų37.99%0.09319%0.186CC..EExtended strand (participates in β ladder)trans-74.9111.4176.1-172-56.2000111.3K271 W272 G273 Y274 I276 Q286H269-K271 PolarHBondContact ND1-N 3.33Å; H269-K271 PolarHBondContact O-N 3.48Å; H269-K271 VanDerWaalsContact O-N 3.14Å; H269-W272 AromaticContact CE1-CD1 3.35Å; H269-W272 AromaticContact ND1-CD1 3.6Å; H269-W272 PolarHBondContact ND1-N 3.39Å; H269-W272 AromaticContact NE2-CD1 3.67Å; H269-W272 PolarHBondContact O-N 2.78Å; H269-G273 WeakPolarHBondContact O-CA 2.89Å; H269-G273 PolarHBondContact O-N 3.12Å; H269-Y274 HydrophobicContact CB-CD1 4.04Å; H269-Y274 HydrophobicContact CB-CD2 4.22Å; H269-Y274 HydrophobicContact CB-CE1 3.85Å; H269-Y274 HydrophobicContact CB-CE2 4.03Å; H269-Y274 HydrophobicContact CB-CG 4.23Å; H269-Y274 AromaticContact CD2-CE1 3.83Å; H269-Y274 AromaticContact CD2-CZ 3.48Å; H269-Y274 VanDerWaalsContact CD2-CZ 3.48Å; H269-Y274 PolarHBondContact CD2-OH 2.82Å; H269-Y274 AromaticContact CG-CE1 3.79Å; H269-Y274 AromaticContact CG-CZ 3.8Å; H269-Y274 PolarHBondContact N-O 2.91Å; H269-I276 HydrophobicContact CB-CD1 4.21Å; H269-Q286 CarbonylContact C-O 3.51Å; H269-Q286 WeakPolarHBondContact CA-O 3.17Å
270K89.8Confident92.6Very high105 Ų10539 Ų3946%0.45719%0.193SC..THydrogen-bonded Turntrans-42.7-52.7-176.4-69171-175.9149.50114.4L268 K285 Q286 E287 V288L268-K270 PolarHBondContact O-N 3.03Å; K270-K285 PolarHBondContact NZ-O 3.36Å; K270-Q286 WeakPolarHBondContact CB-O 3.3Å; K270-Q286 WeakPolarHBondContact CG-O 3.49Å; K270-Q286 PolarHBondContact N-O 2.89Å; K270-E287 WeakPolarHBondContact CE-O 3.06Å; K270-E287 PolarHBondContact NZ-O 3.45Å; K270-V288 HydrophobicContact CD-CG2 4.23Å; K270-V288 HydrophobicContact CG-CG2 3.6Å
271K90Very high93.6Very high114 Ų11437.5 Ų37.550%0.49618%0.181SC..THydrogen-bonded Turntrans-70.6-49.1-177.9-168.5170-179.6170.20113.8H269 W364 K365H269-K271 PolarHBondContact ND1-N 3.33Å; H269-K271 PolarHBondContact O-N 3.48Å; H269-K271 VanDerWaalsContact O-N 3.14Å; K271-W364 PolarHBondContact O-NE1 2.77Å; K271-K365 PolarHBondContact O-NZ 2.76Å
272W90.7Very high93.7Very high60 Ų6042.7 Ų42.723%0.22721%0.205CC..THydrogen-bonded Turntrans-103.9-16.7-163.6-59.2124.2000115.3H269 Y274 N319 W364H269-W272 AromaticContact CE1-CD1 3.35Å; H269-W272 AromaticContact ND1-CD1 3.6Å; H269-W272 PolarHBondContact ND1-N 3.39Å; H269-W272 AromaticContact NE2-CD1 3.67Å; H269-W272 PolarHBondContact O-N 2.78Å; W272-Y274 VanDerWaalsContact C-N 3.3Å; W272-Y274 HydrophobicContact CB-CD1 3.5Å; W272-Y274 VanDerWaalsContact CB-CD1 3.5Å; W272-Y274 HydrophobicContact CB-CE1 3.54Å; W272-Y274 AromaticContact CD1-CE1 3.81Å; W272-Y274 HydrophobicContact CG-CD1 4.41Å; W272-Y274 HydrophobicContact CG-CE1 4.01Å; W272-Y274 PolarHBondContact O-N 2.96Å; W272-N319 PolarHBondContact NE1-O 3.21Å; W272-W364 VanDerWaalsContact O-CG 3.26Å
273G88.8Confident93.7Very high0 Ų042.3 Ų42.30%021%0.212CC..  trans72.610.1172.500000116.8L268 H269L268-G273 WeakPolarHBondContact CD1-O 3.28Å; H269-G273 WeakPolarHBondContact O-CA 2.89Å; H269-G273 PolarHBondContact O-N 3.12Å
274Y91.3Very high93.6Very high4 Ų443.9 Ų43.92%0.01622%0.221CC..  trans-79.1152.9169.761-94.2000111.6H269 W272 I276 K320 N321 R322H269-Y274 HydrophobicContact CB-CD1 4.04Å; H269-Y274 HydrophobicContact CB-CD2 4.22Å; H269-Y274 HydrophobicContact CB-CE1 3.85Å; H269-Y274 HydrophobicContact CB-CE2 4.03Å; H269-Y274 HydrophobicContact CB-CG 4.23Å; H269-Y274 AromaticContact CD2-CE1 3.83Å; H269-Y274 AromaticContact CD2-CZ 3.48Å; H269-Y274 VanDerWaalsContact CD2-CZ 3.48Å; H269-Y274 PolarHBondContact CD2-OH 2.82Å; H269-Y274 AromaticContact CG-CE1 3.79Å; H269-Y274 AromaticContact CG-CZ 3.8Å; H269-Y274 PolarHBondContact N-O 2.91Å; W272-Y274 VanDerWaalsContact C-N 3.3Å; W272-Y274 HydrophobicContact CB-CD1 3.5Å; W272-Y274 VanDerWaalsContact CB-CD1 3.5Å; W272-Y274 HydrophobicContact CB-CE1 3.54Å; W272-Y274 AromaticContact CD1-CE1 3.81Å; W272-Y274 HydrophobicContact CG-CD1 4.41Å; W272-Y274 HydrophobicContact CG-CE1 4.01Å; W272-Y274 PolarHBondContact O-N 2.96Å; Y274-I276 HydrophobicContact CD2-CD1 4.15Å; Y274-I276 HydrophobicContact CD2-CG1 3.61Å; Y274-I276 HydrophobicContact CE2-CD1 3.52Å; Y274-I276 HydrophobicContact CE2-CG1 3.43Å; Y274-I276 VanDerWaalsContact CE2-CG1 3.43Å; Y274-K320 WeakPolarHBondContact CD1-O 3.37Å; Y274-K320 WeakPolarHBondContact CE1-O 3.49Å; Y274-N321 WeakPolarHBondContact CB-OD1 3.36Å; Y274-R322 HydrophobicContact CD2-CB 4.32Å; Y274-R322 HydrophobicContact CD2-CG 3.87Å; Y274-R322 HydrophobicContact CE2-CG 3.7Å
275V93.1Very high93.4Very high5 Ų553 Ų533%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-82.9142.2172.8166.90000110.8R266 F267 L268 L277 N370 L371 Y372R266-V275 HydrophobicContact CG-CG1 3.57Å; F267-V275 CarbonylContact O-C 3.48Å; F267-V275 WeakPolarHBondContact O-CA 2.96Å; L268-V275 HydrophobicContact CD1-CG2 4.48Å; V275-L277 HydrophobicContact CG1-CD2 4.08Å; V275-L277 HydrophobicContact CG1-CG 4.47Å; V275-N370 PolarHBondContact N-O 2.83Å; V275-N370 VanDerWaalsContact N-O 3.12Å; V275-L371 HydrophobicContact CG2-CB 4.44Å; V275-L371 HydrophobicContact CG2-CD2 3.75Å; V275-Y372 HydrophobicContact CB-CD2 4.28Å; V275-Y372 HydrophobicContact CG1-CD2 4.16Å
276I95.3Very high93.3Very high3 Ų355.1 Ų55.12%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-124.4132175.6-51.2174.7000107.9R266 F267 H269 Y274 K278 E287 R322 Y324R266-I276 CarbonylContact C-O 3.53Å; R266-I276 WeakPolarHBondContact CA-O 3.4Å; F267-I276 HydrophobicContact CB-CB 4.35Å; F267-I276 PolarHBondContact N-O 2.02Å; F267-I276 PolarHBondContact O-N 3.1Å; H269-I276 HydrophobicContact CB-CD1 4.21Å; Y274-I276 HydrophobicContact CD2-CD1 4.15Å; Y274-I276 HydrophobicContact CD2-CG1 3.61Å; Y274-I276 HydrophobicContact CE2-CD1 3.52Å; Y274-I276 HydrophobicContact CE2-CG1 3.43Å; Y274-I276 VanDerWaalsContact CE2-CG1 3.43Å; I276-K278 HydrophobicContact CG2-CG 4.05Å; I276-E287 HydrophobicContact CD1-CG 4Å; I276-E287 WeakPolarHBondContact CD1-OE1 3.36Å; I276-R322 HydrophobicContact CG1-CG 4.21Å; I276-Y324 WeakPolarHBondContact CA-OH 3.36Å
277L96.6Very high93.2Very high0 Ų054.6 Ų54.60%027%0.27CS..EExtended strand (participates in β ladder)trans-109.3132.7173.7-55.1178.2000109.1L264 Y265 R266 V275 F293 Y324 I341 Y372 F393L264-L277 HydrophobicContact CD1-CB 4.14Å; L264-L277 HydrophobicContact CD2-CD1 4.42Å; Y265-L277 WeakPolarHBondContact O-CA 3.28Å; R266-L277 HydrophobicContact CB-CD2 3.81Å; R266-L277 HydrophobicContact CG-CD2 3.75Å; V275-L277 HydrophobicContact CG1-CD2 4.08Å; V275-L277 HydrophobicContact CG1-CG 4.47Å; L277-F293 HydrophobicContact CD1-CE1 4.28Å; L277-F293 HydrophobicContact CD2-CD1 3.66Å; L277-F293 HydrophobicContact CD2-CE1 3.93Å; L277-F293 HydrophobicContact CD2-CG 4.29Å; L277-Y324 HydrophobicContact CB-CD1 4.45Å; L277-Y324 HydrophobicContact CB-CE1 3.92Å; L277-Y324 HydrophobicContact CB-CE2 4.05Å; L277-Y324 HydrophobicContact CD1-CD1 4.3Å; L277-Y324 HydrophobicContact CD1-CD2 3.7Å; L277-Y324 HydrophobicContact CD1-CE2 3.98Å; L277-Y324 HydrophobicContact CD1-CG 3.92Å; L277-Y324 HydrophobicContact CG-CD2 4.02Å; L277-Y324 HydrophobicContact CG-CE1 4.42Å; L277-Y324 HydrophobicContact CG-CE2 3.75Å; L277-Y324 PolarHBondContact N-OH 3.46Å; L277-Y324 PolarHBondContact O-OH 3.36Å; L277-I341 HydrophobicContact CB-CD1 4.04Å; L277-Y372 HydrophobicContact CD1-CG 4.49Å; L277-F393 HydrophobicContact CD1-CZ 4.22Å
278K95.6Very high93.1Very high28 Ų2857.7 Ų57.712%0.12229%0.289CS..EExtended strand (participates in β ladder)trans-142.6154177.9-53.6-175.4-173.5175.80110.4Y265 F267 I276 T280 E284 E287Y265-K278 PolarHBondContact N-O 3.4Å; Y265-K278 PolarHBondContact O-N 2.85Å; F267-K278 HydrophobicContact CD2-CD 4.4Å; F267-K278 HydrophobicContact CD2-CG 4.32Å; F267-K278 HydrophobicContact CE2-CB 4.06Å; F267-K278 HydrophobicContact CE2-CD 4.11Å; F267-K278 HydrophobicContact CE2-CG 4.13Å; I276-K278 HydrophobicContact CG2-CG 4.05Å; K278-T280 VanDerWaalsContact C-N 3.27Å; K278-E284 IonicContact NZ-OE1 3.7Å; K278-E284 PolarHBondContact NZ-OE1 2.76Å; K278-E287 WeakPolarHBondContact CE-OE1 3.33Å; K278-E287 IonicContact NZ-OE1 2.73Å; K278-E287 PolarHBondContact NZ-OE1 3.21Å; K278-E287 IonicContact NZ-OE2 3.47Å; K278-E287 PolarHBondContact NZ-OE2 3.26Å
279T95.2Very high93.3Very high53 Ų5358.3 Ų58.333%0.32530%0.297SS..SBendtrans-84.10.6173.642.80000114.1M262 K263 V296 I341M262-T279 HydrophobicContact CB-CG2 4.27Å; M262-T279 HydrophobicContact CE-CG2 3.91Å; M262-T279 HydrophobicContact SD-CG2 4.36Å; K263-T279 CarbonylContact O-C 3.57Å; K263-T279 VanDerWaalsContact O-CA 3.28Å; K263-T279 WeakPolarHBondContact O-CA 3.2Å; T279-V296 HydrophobicContact CG2-CG2 4.15Å; T279-I341 WeakPolarHBondContact CG2-O 3.16Å
280T94.9Very high93.2Very high63 Ų6360.9 Ų60.939%0.38731%0.311SS..SBendtrans-121.8146.9-178.8880000110.5Y265 K278 E282Y265-T280 VanDerWaalsContact CD2-C 3.42Å; Y265-T280 WeakPolarHBondContact CD2-O 3.46Å; K278-T280 VanDerWaalsContact C-N 3.27Å; T280-E282 WeakPolarHBondContact CB-OE2 3.27Å; T280-E282 PolarHBondContact OG1-OE2 2.85Å
281P95Very high93.3Very high66 Ų6657.3 Ų57.343%0.42931%0.305SS..  trans-80.1-9.9-174.230.8-35.1000114.6Y265 A283Y265-P281 HydrophobicContact CD1-CB 4.19Å; Y265-P281 HydrophobicContact CD2-CB 4.39Å; Y265-P281 HydrophobicContact CE1-CB 3.82Å; Y265-P281 HydrophobicContact CE2-CB 4.05Å; Y265-P281 HydrophobicContact CE2-CG 4.44Å; Y265-P281 HydrophobicContact CG-CB 4.45Å; P281-A283 PolarHBondContact O-N 2.93Å
282E94.8Very high93.5Very high119 Ų11955.7 Ų55.756%0.55630%0.299SS*.  trans-73.9115.4-172.2-56.571.9-153.200111.8T280T280-E282 WeakPolarHBondContact CB-OE2 3.27Å; T280-E282 PolarHBondContact OG1-OE2 2.85Å
283A92.8Very high93.6Very high55 Ų5553.2 Ų53.246%0.45529%0.29SS..  trans-77.7128.9172.900000111.1F267 P281 E287F267-A283 HydrophobicContact CD1-CB 3.92Å; F267-A283 HydrophobicContact CE1-CB 3.78Å; P281-A283 PolarHBondContact O-N 2.93Å; A283-E287 HydrophobicContact CB-CB 4.22Å
284E93.7Very high93.9Very high123 Ų12353.4 Ų53.458%0.57529%0.292SS*.  trans-69.7163.3168.6-66.7171.5-142.900111.2K278 Q286 E287K278-E284 IonicContact NZ-OE1 3.7Å; K278-E284 PolarHBondContact NZ-OE1 2.76Å; E284-Q286 PolarHBondContact O-N 3.13Å; E284-E287 HydrophobicContact CB-CG 4.04Å; E284-E287 WeakPolarHBondContact CB-OE2 3.28Å; E284-E287 PolarHBondContact N-OE2 2.92Å; E284-E287 WeakPolarHBondContact O-CB 3.48Å; E284-E287 PolarHBondContact O-N 2.84Å
285K93.2Very high94.2Very high191 Ų19155 Ų5583%0.8330%0.298SS*.THydrogen-bonded Turntrans-48.6-34.7-178.2-173.2172.2-176.6172.30113.9K270K270-K285 PolarHBondContact NZ-O 3.36Å
286Q93.6Very high94.3Very high84 Ų8454.7 Ų54.739%0.39330%0.297SS..THydrogen-bonded Turntrans-93.78.8-179.1-69-60.3-51.100114.9H269 K270 E284H269-Q286 CarbonylContact C-O 3.51Å; H269-Q286 WeakPolarHBondContact CA-O 3.17Å; K270-Q286 WeakPolarHBondContact CB-O 3.3Å; K270-Q286 WeakPolarHBondContact CG-O 3.49Å; K270-Q286 PolarHBondContact N-O 2.89Å; E284-Q286 PolarHBondContact O-N 3.13Å
287E94.5Very high94.3Very high8 Ų854.6 Ų54.64%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-113149.1-173.8-63.7177.9159.200112.1F267 L268 K270 I276 K278 A283 E284F267-E287 HydrophobicContact CB-CB 4.17Å; F267-E287 HydrophobicContact CD1-CB 4.3Å; L268-E287 WeakPolarHBondContact O-CA 3.1Å; K270-E287 WeakPolarHBondContact CE-O 3.06Å; K270-E287 PolarHBondContact NZ-O 3.45Å; I276-E287 HydrophobicContact CD1-CG 4Å; I276-E287 WeakPolarHBondContact CD1-OE1 3.36Å; K278-E287 WeakPolarHBondContact CE-OE1 3.33Å; K278-E287 IonicContact NZ-OE1 2.73Å; K278-E287 PolarHBondContact NZ-OE1 3.21Å; K278-E287 IonicContact NZ-OE2 3.47Å; K278-E287 PolarHBondContact NZ-OE2 3.26Å; A283-E287 HydrophobicContact CB-CB 4.22Å; E284-E287 HydrophobicContact CB-CG 4.04Å; E284-E287 WeakPolarHBondContact CB-OE2 3.28Å; E284-E287 PolarHBondContact N-OE2 2.92Å; E284-E287 WeakPolarHBondContact O-CB 3.48Å; E284-E287 PolarHBondContact O-N 2.84Å
288V92.8Very high94.1Very high66 Ų6657.9 Ų57.940%0.432%0.319SS..EExtended strand (participates in β ladder)trans-117.4121.6167.8-178.20000106.7F267 L268 K270F267-V288 CarbonylContact C-O 3.57Å; F267-V288 WeakPolarHBondContact CA-O 3.49Å; L268-V288 PolarHBondContact N-O 2.92Å; L268-V288 PolarHBondContact O-N 3Å; K270-V288 HydrophobicContact CD-CG2 4.23Å; K270-V288 HydrophobicContact CG-CG2 3.6Å
289S94.7Very high93.9Very high58 Ų5860.1 Ų60.141%0.40633%0.332SS..EExtended strand (participates in β ladder)trans-67.2134174.2-174.90000110.4G291S289-G291 PolarHBondContact OG-N 3.23Å; S289-G291 VanDerWaalsContact OG-N 3.16Å
290L90.2Very high93.7Very high73 Ų7359.2 Ų59.238%0.38233%0.328SS..EExtended strand (participates in β ladder)trans-103.315.3169.4-55.2-176.4000111R266 L268R266-L290 HydrophobicContact CG-CB 4.47Å; R266-L290 HydrophobicContact CG-CD1 4.24Å; R266-L290 WeakPolarHBondContact O-CA 3.32Å; R266-L290 WeakPolarHBondContact O-CB 3.39Å; R266-L290 PolarHBondContact O-N 3.49Å; L268-L290 HydrophobicContact CB-CD1 4.25Å; L268-L290 HydrophobicContact CB-CD2 4.4Å; L268-L290 HydrophobicContact CB-CG 4.37Å
291G91.9Very high93.5Very high31 Ų3159.9 Ų59.932%0.3233%0.329SS..EExtended strand (participates in β ladder)trans83.9-169.1179.500000115R266 S289R266-G291 PolarHBondContact N-O 2.77Å; R266-G291 VanDerWaalsContact N-O 3.13Å; S289-G291 PolarHBondContact OG-N 3.23Å; S289-G291 VanDerWaalsContact OG-N 3.16Å
292Q94.1Very high93Very high79 Ų7957.5 Ų57.537%0.36931%0.314SS..EExtended strand (participates in β ladder)trans-67.2130.3172.2-173.8176.7-54.500109.7Y265 Y295Y265-Q292 HydrophobicContact CD1-CB 4.44Å; Y265-Q292 HydrophobicContact CE1-CB 4.41Å; Q292-Y295 VanDerWaalsContact NE2-CZ 3.35Å; Q292-Y295 PolarHBondContact NE2-OH 2.97Å
293F94.7Very high92.6Very high8 Ų852.6 Ų52.64%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-93.2-44.3-178.5-166.2-133.1000111.4L264 R266 L277 V357 K374 M395L264-F293 HydrophobicContact CD2-CD1 3.93Å; L264-F293 HydrophobicContact CG-CD1 4.47Å; L264-F293 WeakPolarHBondContact O-CA 3.22Å; L264-F293 WeakPolarHBondContact O-CB 3.36Å; L264-F293 PolarHBondContact O-N 3.28Å; R266-F293 HydrophobicContact CB-CB 3.84Å; R266-F293 HydrophobicContact CB-CD2 4.14Å; R266-F293 HydrophobicContact CB-CG 3.98Å; R266-F293 HydrophobicContact CG-CD2 4.49Å; L277-F293 HydrophobicContact CD1-CE1 4.28Å; L277-F293 HydrophobicContact CD2-CD1 3.66Å; L277-F293 HydrophobicContact CD2-CE1 3.93Å; L277-F293 HydrophobicContact CD2-CG 4.29Å; F293-V357 HydrophobicContact CE1-CG1 3.99Å; F293-V357 HydrophobicContact CE1-CG2 3.68Å; F293-V357 HydrophobicContact CZ-CG1 3.99Å; F293-V357 HydrophobicContact CZ-CG2 3.96Å; F293-K374 HydrophobicContact CE2-CB 4.06Å; F293-M395 HydrophobicContact CD1-CE 3.73Å; F293-M395 HydrophobicContact CD1-SD 3.71Å; F293-M395 HydrophobicContact CD2-CE 4.12Å; F293-M395 HydrophobicContact CE1-CE 3.74Å; F293-M395 HydrophobicContact CE1-SD 3.92Å; F293-M395 HydrophobicContact CE2-CE 4.12Å; F293-M395 HydrophobicContact CG-CE 3.91Å; F293-M395 HydrophobicContact CG-SD 4.3Å; F293-M395 HydrophobicContact CZ-CE 3.93Å; F293-M395 WeakPolarHBondContact O-CE 3.47Å
294G94.9Very high92Very high5 Ų559.8 Ų59.85%0.05231%0.313CS..EExtended strand (participates in β ladder)trans176.8-152.417900000110.3L264L264-G294 PolarHBondContact N-O 2.84Å; L264-G294 PolarHBondContact O-N 3.34Å
295Y96.3Very high91.6Very high36 Ų3657.6 Ų57.614%0.14131%0.311CS..EExtended strand (participates in β ladder)trans-127.6153.3176.1-68.1-94.9000111.7L261 M262 K263 Q292 M395 W396 K397 E398L261-Y295 HydrophobicContact CB-CD1 4.01Å; L261-Y295 HydrophobicContact CB-CG 4.28Å; M262-Y295 CarbonylContact O-C 3.54Å; M262-Y295 VanDerWaalsContact O-CA 3.26Å; M262-Y295 WeakPolarHBondContact O-CA 3.42Å; K263-Y295 HydrophobicContact CB-CE1 4.48Å; K263-Y295 HydrophobicContact CD-CE1 4.38Å; K263-Y295 HydrophobicContact CG-CD1 3.92Å; K263-Y295 HydrophobicContact CG-CE1 3.4Å; K263-Y295 VanDerWaalsContact CG-CE1 3.4Å; Q292-Y295 VanDerWaalsContact NE2-CZ 3.35Å; Q292-Y295 PolarHBondContact NE2-OH 2.97Å; Y295-M395 WeakPolarHBondContact O-CB 3.48Å; Y295-W396 PolarHBondContact N-O 3.48Å; Y295-W396 PolarHBondContact O-N 3.25Å; Y295-K397 WeakPolarHBondContact CD2-O 3.1Å; Y295-K397 WeakPolarHBondContact CE2-O 3.21Å; Y295-E398 WeakPolarHBondContact CD2-O 3.38Å
296V95.9Very high91.2Very high0 Ų048.6 Ų48.60%027%0.272CS..EExtended strand (participates in β ladder)trans-136.7153175.9-61.10000110.4M262 L264 T279 V344M262-V296 HydrophobicContact CB-CG2 4.13Å; M262-V296 HydrophobicContact CE-CG2 3.93Å; M262-V296 PolarHBondContact N-O 3.34Å; M262-V296 PolarHBondContact O-N 2.61Å; L264-V296 HydrophobicContact CB-CG1 4.17Å; L264-V296 HydrophobicContact CD1-CG1 4.47Å; L264-V296 HydrophobicContact CD2-CG1 3.81Å; L264-V296 HydrophobicContact CG-CG1 4.39Å; T279-V296 HydrophobicContact CG2-CG2 4.15Å; V296-V344 HydrophobicContact CB-CG1 4.22Å; V296-V344 HydrophobicContact CG1-CG1 3.6Å
297A94.7Very high90.8Very high0 Ų048.5 Ų48.50%028%0.275CS..BIsolated β-bridgetrans-76.6149.6176.500000111.5L261 M262 D299 P302 L309 G342 Y343L261-A297 HydrophobicContact CD2-CB 3.88Å; M262-A297 WeakPolarHBondContact CE-O 3.4Å; A297-D299 WeakPolarHBondContact CB-O 3.24Å; A297-P302 HydrophobicContact CB-CB 4.38Å; A297-P302 HydrophobicContact CB-CG 4.18Å; A297-L309 HydrophobicContact CB-CD1 3.5Å; A297-G342 CarbonylContact O-C 3.58Å; A297-G342 WeakPolarHBondContact O-CA 3.28Å; A297-Y343 PolarHBondContact N-O 3.03Å; A297-Y343 PolarHBondContact O-N 3.49Å
298S92.8Very high90.3Very high69 Ų6953 Ų5348%0.48330%0.299SS..SBendtrans-82.1-20174.853.80000113.5Y343S298-Y343 WeakPolarHBondContact O-CE2 3.45Å
299D91.5Very high90.3Very high76 Ų7650.2 Ų50.241%0.40628%0.282SS..SBendtrans-129156178-157.9-66.1000110A297 N301 Y343A297-D299 WeakPolarHBondContact CB-O 3.24Å; D299-N301 PolarHBondContact O-N 2.89Å; D299-N301 PolarHBondContact OD1-N 2.96Å; D299-Y343 VanDerWaalsContact C-CG 3.44Å; D299-Y343 WeakPolarHBondContact O-CB 3.49Å
300S91.4Very high90.2Very high33 Ų3349 Ų4923%0.23127%0.27CS..SBendtrans-58-31.2165.354.60000114.1D308 L309S300-D308 PolarHBondContact O-N 2.89Å; S300-L309 WeakPolarHBondContact O-CB 3.46Å; S300-L309 PolarHBondContact O-N 3.11Å
301N90.1Very high90.4Very high77 Ų7746.4 Ų46.441%0.41226%0.26SS..  trans-128.366.4-175-61.9-67.7000110.3D299 T303 N307 D308D299-N301 PolarHBondContact O-N 2.89Å; D299-N301 PolarHBondContact OD1-N 2.96Å; N301-T303 VanDerWaalsContact C-N 3.29Å; N301-T303 PolarHBondContact O-N 3.33Å; N301-N307 WeakPolarHBondContact OD1-CA 3.06Å; N301-N307 WeakPolarHBondContact OD1-CB 3.42Å; N301-D308 PolarHBondContact OD1-N 3.29Å
302P85.4Confident90.6Very high17 Ų1744.9 Ų44.911%0.1124%0.244CC..SBendtrans-62.1-34.5-175.625.4-35.1000112.6V259 A297 C306 L309 I401V259-P302 HydrophobicContact CB-CB 4.33Å; V259-P302 HydrophobicContact CG1-CB 3.9Å; V259-P302 VanDerWaalsContact CG2-O 3.24Å; V259-P302 WeakPolarHBondContact CG2-O 3.38Å; A297-P302 HydrophobicContact CB-CB 4.38Å; A297-P302 HydrophobicContact CB-CG 4.18Å; P302-C306 VanDerWaalsContact CD-O 3.22Å; P302-C306 WeakPolarHBondContact CD-O 3.09Å; P302-C306 HydrophobicContact CG-CB 4.06Å; P302-C306 VanDerWaalsContact CG-SG 3.6Å; P302-L309 HydrophobicContact CG-CD1 3.76Å; P302-I401 HydrophobicContact CG-CD1 3.95Å
303T85.3Confident90.6Very high15 Ų1542.9 Ų42.99%0.09223%0.234CC..SBendtrans-135.8172.9178.169.90000111V259 N301 S305 C306 I401V259-T303 HydrophobicContact CB-CG2 4.12Å; V259-T303 HydrophobicContact CG2-CG2 3.98Å; N301-T303 VanDerWaalsContact C-N 3.29Å; N301-T303 PolarHBondContact O-N 3.33Å; T303-S305 VanDerWaalsContact C-N 3.28Å; T303-S305 PolarHBondContact OG1-N 2.64Å; T303-S305 PolarHBondContact OG1-OG 3.3Å; T303-C306 PolarHBondContact N-O 3.29Å; T303-C306 CarbonylContact O-C 3.6Å; T303-C306 VanDerWaalsContact OG1-CB 3.28Å; T303-C306 WeakPolarHBondContact OG1-CB 3.26Å; T303-C306 PolarHBondContact OG1-N 3.47Å; T303-I401 HydrophobicContact CG2-CG2 4.39Å
304K81.2Confident90.7Very high206 Ų20642.7 Ų42.790%0.89623%0.233SC*.SBendtrans-69.2-28.5172.5-66.6-178.1-179.9177.60112.6N307K304-N307 PolarHBondContact O-ND2 3.17Å
305S83.6Confident90.6Very high78 Ų7843.6 Ų43.655%0.54523%0.234SC..SBendtrans-80.5-32.4176.341.50000112.4T303 S402T303-S305 VanDerWaalsContact C-N 3.28Å; T303-S305 PolarHBondContact OG1-N 2.64Å; T303-S305 PolarHBondContact OG1-OG 3.3Å; S305-S402 PolarHBondContact OG-O 2.85Å; S305-S402 PolarHBondContact OG-OXT 3.31Å
306C86Confident90.4Very high1 Ų144.9 Ų44.91%0.00724%0.241CC..SBendtrans-112.796177.9179.90000110.9P302 T303 C351 I401P302-C306 VanDerWaalsContact CD-O 3.22Å; P302-C306 WeakPolarHBondContact CD-O 3.09Å; P302-C306 HydrophobicContact CG-CB 4.06Å; P302-C306 VanDerWaalsContact CG-SG 3.6Å; T303-C306 PolarHBondContact N-O 3.29Å; T303-C306 CarbonylContact O-C 3.6Å; T303-C306 VanDerWaalsContact OG1-CB 3.28Å; T303-C306 WeakPolarHBondContact OG1-CB 3.26Å; T303-C306 PolarHBondContact OG1-N 3.47Å; C306-C351 WeakPolarHBondContact CA-SG 3.33Å; C306-C351 HydrophobicContact CB-CB 3.68Å; C306-C351 WeakPolarHBondContact CB-SG 3.44Å; C306-C351 WeakPolarHBondContact SG-CB 3.35Å; C306-C351 CovalentContact SG-SG 2.02Å; C306-C351 PolarHBondContact SG-SG 3.47Å; C306-I401 HydrophobicContact CB-CG2 3.76Å
307N85.4Confident90.2Very high83 Ų8350.6 Ų50.644%0.44426%0.262SS..  trans-117.8170.2172.643.745.9000110.6N301 K304 L309N301-N307 WeakPolarHBondContact OD1-CA 3.06Å; N301-N307 WeakPolarHBondContact OD1-CB 3.42Å; K304-N307 PolarHBondContact O-ND2 3.17Å; N307-L309 PolarHBondContact O-N 3.32Å
308D84.4Confident89.6Confident101 Ų10152.8 Ų52.854%0.5429%0.285SS..  trans57.338.1176.8-61.2-21.1000115.5S300 N301S300-D308 PolarHBondContact O-N 2.89Å; N301-D308 PolarHBondContact OD1-N 3.29Å
309L91Very high89.1Confident9 Ų955.8 Ų55.85%0.04730%0.296CS..PPolyproline II helixtrans-68.5135.4168.4-67.4-179.2000111.4A297 S300 P302 N307 V350 C351 W396A297-L309 HydrophobicContact CB-CD1 3.5Å; S300-L309 WeakPolarHBondContact O-CB 3.46Å; S300-L309 PolarHBondContact O-N 3.11Å; P302-L309 HydrophobicContact CG-CD1 3.76Å; N307-L309 PolarHBondContact O-N 3.32Å; L309-V350 HydrophobicContact CD2-CG1 4.49Å; L309-C351 HydrophobicContact CD2-CB 4.28Å; L309-W396 HydrophobicContact CD1-CH2 3.78Å; L309-W396 HydrophobicContact CD1-CZ2 4.32Å; L309-W396 HydrophobicContact CD2-CH2 3.92Å; L309-W396 HydrophobicContact CD2-CZ2 4.17Å
310D92.8Very high88.6Confident31 Ų3157.3 Ų57.317%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-74.4136.7179.9-54.6-103.4000110.5K21 L326 Y343 V344 S346K21-D310 IonicContact NZ-OD1 2.87Å; K21-D310 PolarHBondContact NZ-OD1 3.39Å; K21-D310 IonicContact NZ-OD2 3.62Å; D310-L326 HydrophobicContact CB-CB 4.15Å; D310-L326 HydrophobicContact CB-CD1 3.86Å; D310-L326 HydrophobicContact CB-CD2 3.91Å; D310-L326 HydrophobicContact CB-CG 4.18Å; D310-Y343 WeakPolarHBondContact O-CA 3.27Å; D310-V344 PolarHBondContact N-O 3.24Å; D310-V344 WeakPolarHBondContact O-CG2 3.13Å; D310-V344 PolarHBondContact O-N 2.88Å; D310-S346 WeakPolarHBondContact OD2-CB 3.48Å; D310-S346 PolarHBondContact OD2-N 3.13Å; D310-S346 PolarHBondContact OD2-OG 2.98Å
311A94.9Very high88.6Confident19 Ų1956.1 Ų56.116%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-72.2131.1179.500000111.9W313 I340 Y343A311-W313 VanDerWaalsContact O-CD1 3.25Å; A311-W313 PolarHBondContact O-N 2.81Å; A311-I340 HydrophobicContact CB-CD1 4Å; A311-I340 HydrophobicContact CB-CG1 4.19Å; A311-I340 HydrophobicContact CB-CG2 4.42Å; A311-Y343 HydrophobicContact CB-CD1 3.94Å; A311-Y343 HydrophobicContact CB-CE1 3.78Å
312L96.2Very high88.8Confident0 Ų053.9 Ų53.90%028%0.275CS..EExtended strand (participates in β ladder)trans-89.8104.7178-173.159.7000111L326 I340 I341 G342 V344 F393L312-L326 HydrophobicContact CD1-CD2 4.39Å; L312-I340 WeakPolarHBondContact O-CA 3.26Å; L312-I341 HydrophobicContact CB-CG1 4.17Å; L312-I341 HydrophobicContact CD2-CD1 3.77Å; L312-I341 HydrophobicContact CD2-CG1 3.88Å; L312-I341 HydrophobicContact CG-CD1 4.12Å; L312-I341 HydrophobicContact CG-CG1 3.86Å; L312-I341 WeakPolarHBondContact O-CG1 3.39Å; L312-I341 PolarHBondContact O-N 2.78Å; L312-G342 WeakPolarHBondContact CB-O 3.45Å; L312-G342 PolarHBondContact N-O 3.12Å; L312-V344 HydrophobicContact CB-CG1 4.27Å; L312-V344 HydrophobicContact CB-CG2 4Å; L312-V344 HydrophobicContact CD1-CG2 4.33Å; L312-V344 HydrophobicContact CD2-CG1 4.03Å; L312-F393 HydrophobicContact CD1-CD1 3.7Å; L312-F393 HydrophobicContact CD1-CE1 3.55Å; L312-F393 HydrophobicContact CD1-CE2 4.4Å; L312-F393 HydrophobicContact CD1-CG 4.24Å; L312-F393 HydrophobicContact CD1-CZ 3.91Å; L312-F393 HydrophobicContact CD2-CE1 4.33Å; L312-F393 HydrophobicContact CD2-CE2 3.95Å; L312-F393 HydrophobicContact CD2-CZ 3.82Å
313W94.8Very high89.2Confident37 Ų3753.2 Ų53.214%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-89.9121.5-177.6-68.189.4000112.6A311 Y324 T325 S327 E328 K339 I340A311-W313 VanDerWaalsContact O-CD1 3.25Å; A311-W313 PolarHBondContact O-N 2.81Å; W313-Y324 VanDerWaalsContact O-CA 3.29Å; W313-Y324 WeakPolarHBondContact O-CA 3.35Å; W313-T325 PolarHBondContact N-O 2.96Å; W313-T325 PolarHBondContact O-N 3.36Å; W313-S327 VanDerWaalsContact CD1-O 3.28Å; W313-E328 HydrophobicContact CH2-CB 4.43Å; W313-E328 HydrophobicContact CH2-CG 3.84Å; W313-E328 HydrophobicContact CZ2-CB 3.73Å; W313-E328 HydrophobicContact CZ2-CG 3.58Å; W313-K339 CarbonylContact C-O 3.57Å; W313-K339 WeakPolarHBondContact CA-O 3.37Å; W313-I340 HydrophobicContact CD2-CG1 4.02Å; W313-I340 HydrophobicContact CE3-CG1 4.13Å; W313-I340 HydrophobicContact CH2-CD1 4.26Å; W313-I340 HydrophobicContact CH2-CG1 4.03Å; W313-I340 HydrophobicContact CZ2-CD1 3.98Å; W313-I340 HydrophobicContact CZ2-CG1 3.88Å; W313-I340 HydrophobicContact CZ3-CG1 4.14Å
314E95.1Very high89.6Confident4 Ų452.6 Ų52.62%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-81.5115.3164.1179.9-171-143.700110.2K316 R322 Y324 G338 K339 I341E314-K316 VanDerWaalsContact CD-CE 3.42Å; E314-K316 HydrophobicContact CG-CG 4.45Å; E314-K316 WeakPolarHBondContact OE2-CE 3.33Å; E314-K316 IonicContact OE2-NZ 2.83Å; E314-K316 PolarHBondContact OE2-NZ 3.19Å; E314-R322 WeakPolarHBondContact OE1-CD 3.29Å; E314-R322 IonicContact OE1-NE 3.93Å; E314-R322 PolarHBondContact OE1-NE 3.03Å; E314-R322 VanDerWaalsContact OE1-NE 3.09Å; E314-Y324 HydrophobicContact CB-CD1 4.05Å; E314-Y324 HydrophobicContact CB-CE1 3.6Å; E314-Y324 HydrophobicContact CG-CD1 4.42Å; E314-Y324 HydrophobicContact CG-CE1 3.62Å; E314-Y324 PolarHBondContact OE1-OH 2.89Å; E314-G338 WeakPolarHBondContact O-CA 3.11Å; E314-K339 HydrophobicContact CB-CG 4.02Å; E314-K339 PolarHBondContact N-O 2.87Å; E314-K339 PolarHBondContact O-N 2.89Å; E314-K339 VanDerWaalsContact O-N 3.14Å; E314-K339 WeakPolarHBondContact OE2-CD 3.2Å; E314-K339 WeakPolarHBondContact OE2-CE 3.29Å; E314-K339 IonicContact OE2-NZ 2.72Å; E314-K339 PolarHBondContact OE2-NZ 3.46Å; E314-I341 HydrophobicContact CB-CG2 3.97Å
315W94.1Very high90.2Very high23 Ų2343.7 Ų43.79%0.08723%0.23CC..EExtended strand (participates in β ladder)trans-102.1140.2172.1-69.2101.8000112.4R322 M323 T325 E328 E329 A330 Y335 G338W315-R322 CarbonylContact O-C 3.55Å; W315-R322 WeakPolarHBondContact O-CA 3.39Å; W315-M323 HydrophobicContact CB-CB 4.2Å; W315-M323 HydrophobicContact CB-CE 4.4Å; W315-M323 HydrophobicContact CG-CE 4.48Å; W315-M323 PolarHBondContact N-O 2.86Å; W315-M323 PolarHBondContact O-N 2.91Å; W315-T325 PolarHBondContact NE1-OG1 2.97Å; W315-E328 WeakPolarHBondContact CH2-O 3.42Å; W315-E328 VanDerWaalsContact CZ2-C 3.48Å; W315-E328 WeakPolarHBondContact CZ2-O 3.4Å; W315-E329 VanDerWaalsContact CZ2-C 3.45Å; W315-A330 HydrophobicContact CD2-CB 3.92Å; W315-A330 HydrophobicContact CE3-CB 3.68Å; W315-A330 HydrophobicContact CH2-CB 4.15Å; W315-A330 HydrophobicContact CZ2-CB 4.36Å; W315-A330 HydrophobicContact CZ3-CB 3.8Å; W315-Y335 HydrophobicContact CB-CD1 4.01Å; W315-Y335 HydrophobicContact CB-CG 4.4Å; W315-G338 VanDerWaalsContact CZ3-N 3.33Å
316K93Very high90.5Very high64 Ų6441.8 Ų41.828%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-118.3125-175.6-57.5-175.7-178.4171.40112.2E314 G318 Y335 K336E314-K316 VanDerWaalsContact CD-CE 3.42Å; E314-K316 HydrophobicContact CG-CG 4.45Å; E314-K316 WeakPolarHBondContact OE2-CE 3.33Å; E314-K316 IonicContact OE2-NZ 2.83Å; E314-K316 PolarHBondContact OE2-NZ 3.19Å; K316-G318 PolarHBondContact O-N 3.12Å; K316-Y335 WeakPolarHBondContact O-CA 3.43Å; K316-K336 PolarHBondContact N-O 3.05Å; K316-K336 PolarHBondContact O-N 2.97Å
317R90Very high90.5Very high119 Ų11943.7 Ų43.745%0.44923%0.227SC..  trans-96.671168.1-171.6162.1179.7172.22.1109.5K320 N321 E332 Y335R317-K320 PolarHBondContact O-N 2.84Å; R317-N321 HydrophobicContact CB-CB 4.27Å; R317-N321 PolarHBondContact N-O 2.97Å; R317-E332 IonicContact NH1-OE2 3.75Å; R317-Y335 HydrophobicContact CB-CD1 3.72Å; R317-Y335 HydrophobicContact CB-CD2 4.35Å; R317-Y335 HydrophobicContact CB-CE1 3.67Å; R317-Y335 HydrophobicContact CB-CE2 4.33Å; R317-Y335 HydrophobicContact CB-CG 4.07Å
318G83.6Confident90.3Very high46 Ų4646.4 Ų46.447%0.47424%0.237SC..THydrogen-bonded Turntrans52.7-140.1-167.500000112.1K316 K320 R322K316-G318 PolarHBondContact O-N 3.12Å; G318-K320 VanDerWaalsContact C-N 3.29Å; G318-K320 PolarHBondContact O-N 2.82Å; G318-R322 PolarHBondContact O-NH1 2.99Å
319N81.2Confident90.1Very high132 Ų13247.5 Ų47.571%0.70624%0.239SC*.THydrogen-bonded Turntrans-91.824.6-179.7-61.6-10.9000113.2W272W272-N319 PolarHBondContact NE1-O 3.21Å
320K81.7Confident89.3Confident109 Ų10948.9 Ų48.947%0.47425%0.251SS..SBendtrans-120.1-21.6-170.8-64.5-175.9-177.81760115.7Y274 R317 G318Y274-K320 WeakPolarHBondContact CD1-O 3.37Å; Y274-K320 WeakPolarHBondContact CE1-O 3.49Å; R317-K320 PolarHBondContact O-N 2.84Å; G318-K320 VanDerWaalsContact C-N 3.29Å; G318-K320 PolarHBondContact O-N 2.82Å
321N91.7Very high88.3Confident7 Ų751.8 Ų51.84%0.03727%0.274CS..  trans-158163.4178.8-156.215.1000111.6Y274 R317 Y335 N370Y274-N321 WeakPolarHBondContact CB-OD1 3.36Å; R317-N321 HydrophobicContact CB-CB 4.27Å; R317-N321 PolarHBondContact N-O 2.97Å; N321-Y335 HydrophobicContact CB-CE1 4.44Å; N321-Y335 PolarHBondContact ND2-OH 3.11Å; N321-N370 PolarHBondContact ND2-N 3.29Å; N321-N370 PolarHBondContact ND2-ND2 3.32Å; N321-N370 PolarHBondContact OD1-N 2.93Å; N321-N370 VanDerWaalsContact OD1-N 3.12Å
322R93.1Very high87.4Confident30 Ų3054.5 Ų54.511%0.11328%0.283CS..EExtended strand (participates in β ladder)trans-125.4154.4167.7-62.2-60.6-179.3-102.5-1110Y274 I276 E314 W315 G318 Y324 N370Y274-R322 HydrophobicContact CD2-CB 4.32Å; Y274-R322 HydrophobicContact CD2-CG 3.87Å; Y274-R322 HydrophobicContact CE2-CG 3.7Å; I276-R322 HydrophobicContact CG1-CG 4.21Å; E314-R322 WeakPolarHBondContact OE1-CD 3.29Å; E314-R322 IonicContact OE1-NE 3.93Å; E314-R322 PolarHBondContact OE1-NE 3.03Å; E314-R322 VanDerWaalsContact OE1-NE 3.09Å; W315-R322 CarbonylContact O-C 3.55Å; W315-R322 WeakPolarHBondContact O-CA 3.39Å; G318-R322 PolarHBondContact O-NH1 2.99Å; R322-Y324 HydrophobicContact CB-CE2 3.87Å; R322-N370 WeakPolarHBondContact O-CB 3.34Å; R322-N370 PolarHBondContact O-ND2 3.31Å
323M93.5Very high86.7Confident4 Ų466.1 Ų66.12%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-141.4142.9172.1-174.9171.874.300108.2W315 T325 S331 E332 Y335 Y372W315-M323 HydrophobicContact CB-CB 4.2Å; W315-M323 HydrophobicContact CB-CE 4.4Å; W315-M323 HydrophobicContact CG-CE 4.48Å; W315-M323 PolarHBondContact N-O 2.86Å; W315-M323 PolarHBondContact O-N 2.91Å; M323-T325 HydrophobicContact CE-CG2 4.09Å; M323-T325 HydrophobicContact CG-CG2 4.14Å; M323-S331 VanDerWaalsContact CE-OG 3.27Å; M323-S331 WeakPolarHBondContact CE-OG 3.39Å; M323-E332 HydrophobicContact CE-CB 4.34Å; M323-E332 HydrophobicContact SD-CG 4.48Å; M323-Y335 HydrophobicContact CB-CD1 3.9Å; M323-Y335 HydrophobicContact CB-CE1 3.55Å; M323-Y335 HydrophobicContact CE-CD1 4.39Å; M323-Y335 HydrophobicContact CE-CD2 4.2Å; M323-Y335 HydrophobicContact CE-CE2 4.46Å; M323-Y335 HydrophobicContact CE-CG 4.15Å; M323-Y335 HydrophobicContact SD-CE1 4.48Å; M323-Y335 HydrophobicContact SD-CE2 4.31Å; M323-Y372 WeakPolarHBondContact CA-OH 3.38Å
324Y94.8Very high86.3Confident1 Ų166.4 Ų66.40%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-121.9123.4-178.3-59.3-80.7000109.5I276 L277 W313 E314 R322 I341 Y372I276-Y324 WeakPolarHBondContact CA-OH 3.36Å; L277-Y324 HydrophobicContact CB-CD1 4.45Å; L277-Y324 HydrophobicContact CB-CE1 3.92Å; L277-Y324 HydrophobicContact CB-CE2 4.05Å; L277-Y324 HydrophobicContact CD1-CD1 4.3Å; L277-Y324 HydrophobicContact CD1-CD2 3.7Å; L277-Y324 HydrophobicContact CD1-CE2 3.98Å; L277-Y324 HydrophobicContact CD1-CG 3.92Å; L277-Y324 HydrophobicContact CG-CD2 4.02Å; L277-Y324 HydrophobicContact CG-CE1 4.42Å; L277-Y324 HydrophobicContact CG-CE2 3.75Å; L277-Y324 PolarHBondContact N-OH 3.46Å; L277-Y324 PolarHBondContact O-OH 3.36Å; W313-Y324 VanDerWaalsContact O-CA 3.29Å; W313-Y324 WeakPolarHBondContact O-CA 3.35Å; E314-Y324 HydrophobicContact CB-CD1 4.05Å; E314-Y324 HydrophobicContact CB-CE1 3.6Å; E314-Y324 HydrophobicContact CG-CD1 4.42Å; E314-Y324 HydrophobicContact CG-CE1 3.62Å; E314-Y324 PolarHBondContact OE1-OH 2.89Å; R322-Y324 HydrophobicContact CB-CE2 3.87Å; Y324-I341 HydrophobicContact CD1-CD1 3.76Å; Y324-I341 HydrophobicContact CE1-CD1 3.69Å; Y324-Y372 AromaticContact CD2-CD2 3.78Å; Y324-Y372 HydrophobicContact CD2-CD2 3.78Å; Y324-Y372 HydrophobicContact CD2-CE1 4.29Å; Y324-Y372 AromaticContact CD2-CE2 3.5Å; Y324-Y372 HydrophobicContact CD2-CE2 3.5Å; Y324-Y372 VanDerWaalsContact CD2-CE2 3.5Å; Y324-Y372 HydrophobicContact CD2-CG 4.32Å; Y324-Y372 AromaticContact CD2-CZ 3.79Å; Y324-Y372 HydrophobicContact CE2-CD2 4.22Å; Y324-Y372 HydrophobicContact CE2-CE2 4.11Å; Y324-Y372 PolarHBondContact N-OH 3.37Å
325T92.3Very high86Confident19 Ų1966.8 Ų66.812%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-138.8163.7-17461.90000111.7W313 W315 M323 S327W313-T325 PolarHBondContact N-O 2.96Å; W313-T325 PolarHBondContact O-N 3.36Å; W315-T325 PolarHBondContact NE1-OG1 2.97Å; M323-T325 HydrophobicContact CE-CG2 4.09Å; M323-T325 HydrophobicContact CG-CG2 4.14Å; T325-S327 PolarHBondContact OG1-O 2.85Å; T325-S327 VanDerWaalsContact OG1-O 3.13Å
326L90.9Very high85.7Confident38 Ų3872.6 Ų72.620%0.19937%0.369CS..SBendtrans-91.3-10.9171.2-56.4-173.3000113.5D310 L312 V344 P392 F393D310-L326 HydrophobicContact CB-CB 4.15Å; D310-L326 HydrophobicContact CB-CD1 3.86Å; D310-L326 HydrophobicContact CB-CD2 3.91Å; D310-L326 HydrophobicContact CB-CG 4.18Å; L312-L326 HydrophobicContact CD1-CD2 4.39Å; L326-V344 HydrophobicContact CD2-CG2 3.39Å; L326-P392 VanDerWaalsContact CD1-O 3.3Å; L326-P392 WeakPolarHBondContact CD1-O 3.41Å; L326-F393 HydrophobicContact CD1-CB 4.48Å; L326-F393 HydrophobicContact CD2-CB 4.08Å
327S85.5Confident85Confident42 Ų4275.6 Ų75.629%0.29439%0.388SS..SBendtrans-86.5140.4174.9-170.10000112W313 T325 E329W313-S327 VanDerWaalsContact CD1-O 3.28Å; T325-S327 PolarHBondContact OG1-O 2.85Å; T325-S327 VanDerWaalsContact OG1-O 3.13Å; S327-E329 PolarHBondContact O-N 3.24Å; S327-E329 PolarHBondContact OG-N 2.86Å; S327-E329 VanDerWaalsContact OG-N 3.13Å
328E82.5Confident84.6Confident140 Ų14071.1 Ų71.165%0.65438%0.379SS*.SBendtrans-69.8-7.5166.8-179.9164.9-150.900112.6W313 W315W313-E328 HydrophobicContact CH2-CB 4.43Å; W313-E328 HydrophobicContact CH2-CG 3.84Å; W313-E328 HydrophobicContact CZ2-CB 3.73Å; W313-E328 HydrophobicContact CZ2-CG 3.58Å; W315-E328 WeakPolarHBondContact CH2-O 3.42Å; W315-E328 VanDerWaalsContact CZ2-C 3.48Å; W315-E328 WeakPolarHBondContact CZ2-O 3.4Å
329E78.9Confident85Confident124 Ų12473.2 Ų73.258%0.57938%0.375SS*.SBendtrans-107.8142.6171.9-63.3-172.9172.100112.8W315 S327 S331W315-E329 VanDerWaalsContact CZ2-C 3.45Å; S327-E329 PolarHBondContact O-N 3.24Å; S327-E329 PolarHBondContact OG-N 2.86Å; S327-E329 VanDerWaalsContact OG-N 3.13Å; E329-S331 PolarHBondContact O-N 2.88Å
330A74.5Confident85.6Confident37 Ų3770.3 Ų70.331%0.30636%0.359SS..  trans-73.6109.6177.200000111.5W315 E332W315-A330 HydrophobicContact CD2-CB 3.92Å; W315-A330 HydrophobicContact CE3-CB 3.68Å; W315-A330 HydrophobicContact CH2-CB 4.15Å; W315-A330 HydrophobicContact CZ2-CB 4.36Å; W315-A330 HydrophobicContact CZ3-CB 3.8Å; A330-E332 PolarHBondContact O-N 3.29Å; A330-E332 VanDerWaalsContact O-N 3.11Å
331S71.5Confident86.3Confident92 Ų9265.7 Ų65.764%0.64334%0.339SS*.SBendtrans-64.6-12.7179.458.80000115.6M323 E329M323-S331 VanDerWaalsContact CE-OG 3.27Å; M323-S331 WeakPolarHBondContact CE-OG 3.39Å; E329-S331 PolarHBondContact O-N 2.88Å
332E77.2Confident86.5Confident77 Ų7765.6 Ų65.636%0.3634%0.339SS..SBendtrans-127.2135.1179.6-83.5-165.8-152.300113.1R317 M323 A330 G334 Y335R317-E332 IonicContact NH1-OE2 3.75Å; M323-E332 HydrophobicContact CE-CB 4.34Å; M323-E332 HydrophobicContact SD-CG 4.48Å; A330-E332 PolarHBondContact O-N 3.29Å; A330-E332 VanDerWaalsContact O-N 3.11Å; E332-G334 PolarHBondContact O-N 3.22Å; E332-Y335 HydrophobicContact CB-CD2 3.52Å; E332-Y335 HydrophobicContact CB-CE2 3.55Å; E332-Y335 HydrophobicContact CG-CE2 4.34Å; E332-Y335 WeakPolarHBondContact O-CD2 3.43Å; E332-Y335 PolarHBondContact O-N 2.86Å; E332-Y335 WeakPolarHBondContact OE2-CE2 3.45Å
333R81.6Confident86.6Confident243 Ų24366.6 Ų66.692%0.91734%0.343SS*.THydrogen-bonded Turntrans-58.1122.3177.6-170.8176.1-175.9171.92.2111.8
334G85.1Confident86.7Confident43 Ų4366.4 Ų66.444%0.44334%0.342SS..THydrogen-bonded Turntrans98.10.5174.700000115.1E332E332-G334 PolarHBondContact O-N 3.22Å
335Y90Very high86.6Confident13 Ų1366.3 Ų66.35%0.05134%0.342CS..  trans-79.8144.6157.6-67.9-99.8000109.6W315 K316 R317 N321 M323 E332 N370W315-Y335 HydrophobicContact CB-CD1 4.01Å; W315-Y335 HydrophobicContact CB-CG 4.4Å; K316-Y335 WeakPolarHBondContact O-CA 3.43Å; R317-Y335 HydrophobicContact CB-CD1 3.72Å; R317-Y335 HydrophobicContact CB-CD2 4.35Å; R317-Y335 HydrophobicContact CB-CE1 3.67Å; R317-Y335 HydrophobicContact CB-CE2 4.33Å; R317-Y335 HydrophobicContact CB-CG 4.07Å; N321-Y335 HydrophobicContact CB-CE1 4.44Å; N321-Y335 PolarHBondContact ND2-OH 3.11Å; M323-Y335 HydrophobicContact CB-CD1 3.9Å; M323-Y335 HydrophobicContact CB-CE1 3.55Å; M323-Y335 HydrophobicContact CE-CD1 4.39Å; M323-Y335 HydrophobicContact CE-CD2 4.2Å; M323-Y335 HydrophobicContact CE-CE2 4.46Å; M323-Y335 HydrophobicContact CE-CG 4.15Å; M323-Y335 HydrophobicContact SD-CE1 4.48Å; M323-Y335 HydrophobicContact SD-CE2 4.31Å; E332-Y335 HydrophobicContact CB-CD2 3.52Å; E332-Y335 HydrophobicContact CB-CE2 3.55Å; E332-Y335 HydrophobicContact CG-CE2 4.34Å; E332-Y335 WeakPolarHBondContact O-CD2 3.43Å; E332-Y335 PolarHBondContact O-N 2.86Å; E332-Y335 WeakPolarHBondContact OE2-CE2 3.45Å; Y335-N370 PolarHBondContact OH-ND2 3.01Å; Y335-N370 VanDerWaalsContact OH-ND2 3.11Å
336K87.2Confident86.4Confident145 Ų14565.9 Ų65.963%0.6334%0.34SS*.EExtended strand (participates in β ladder)trans-145.7173-179.9-62.4-168.8176.2-167.90109.8K316K316-K336 PolarHBondContact N-O 3.05Å; K316-K336 PolarHBondContact O-N 2.97Å
337N79.1Confident86.2Confident126 Ų12664.5 Ų64.567%0.67434%0.335SS*.EExtended strand (participates in β ladder)trans5759.6171.1-53.56.9000112.2
338G79.7Confident86.3Confident25 Ų2569.6 Ų69.626%0.25835%0.352SS..EExtended strand (participates in β ladder)trans-58.2132.4167.700000110.2E314 W315E314-G338 WeakPolarHBondContact O-CA 3.11Å; W315-G338 VanDerWaalsContact CZ3-N 3.33Å
339K92.9Very high86.6Confident90 Ų9066.5 Ų66.539%0.39135%0.35SS..EExtended strand (participates in β ladder)trans-133.5144.8165.575.2178.1-147.7-142.80109.1W313 E314 I341W313-K339 CarbonylContact C-O 3.57Å; W313-K339 WeakPolarHBondContact CA-O 3.37Å; E314-K339 HydrophobicContact CB-CG 4.02Å; E314-K339 PolarHBondContact N-O 2.87Å; E314-K339 PolarHBondContact O-N 2.89Å; E314-K339 VanDerWaalsContact O-N 3.14Å; E314-K339 WeakPolarHBondContact OE2-CD 3.2Å; E314-K339 WeakPolarHBondContact OE2-CE 3.29Å; E314-K339 IonicContact OE2-NZ 2.72Å; E314-K339 PolarHBondContact OE2-NZ 3.46Å; K339-I341 HydrophobicContact CD-CG2 4.46Å; K339-I341 HydrophobicContact CG-CG2 4.24Å
340I94.9Very high86.9Confident71 Ų7163.4 Ų63.436%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-72136.8171.2-59.8174.3000108.8A311 L312 W313 Y343A311-I340 HydrophobicContact CB-CD1 4Å; A311-I340 HydrophobicContact CB-CG1 4.19Å; A311-I340 HydrophobicContact CB-CG2 4.42Å; L312-I340 WeakPolarHBondContact O-CA 3.26Å; W313-I340 HydrophobicContact CD2-CG1 4.02Å; W313-I340 HydrophobicContact CE3-CG1 4.13Å; W313-I340 HydrophobicContact CH2-CD1 4.26Å; W313-I340 HydrophobicContact CH2-CG1 4.03Å; W313-I340 HydrophobicContact CZ2-CD1 3.98Å; W313-I340 HydrophobicContact CZ2-CG1 3.88Å; W313-I340 HydrophobicContact CZ3-CG1 4.14Å; I340-Y343 HydrophobicContact CG2-CE2 4.36Å
341I95.3Very high87.6Confident13 Ų1363.3 Ų63.37%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-115.40.6172.961.1161.8000113.7L264 L277 T279 L312 E314 Y324 K339L264-I341 HydrophobicContact CD1-CD1 4.17Å; L277-I341 HydrophobicContact CB-CD1 4.04Å; T279-I341 WeakPolarHBondContact CG2-O 3.16Å; L312-I341 HydrophobicContact CB-CG1 4.17Å; L312-I341 HydrophobicContact CD2-CD1 3.77Å; L312-I341 HydrophobicContact CD2-CG1 3.88Å; L312-I341 HydrophobicContact CG-CD1 4.12Å; L312-I341 HydrophobicContact CG-CG1 3.86Å; L312-I341 WeakPolarHBondContact O-CG1 3.39Å; L312-I341 PolarHBondContact O-N 2.78Å; E314-I341 HydrophobicContact CB-CG2 3.97Å; Y324-I341 HydrophobicContact CD1-CD1 3.76Å; Y324-I341 HydrophobicContact CE1-CD1 3.69Å; K339-I341 HydrophobicContact CD-CG2 4.46Å; K339-I341 HydrophobicContact CG-CG2 4.24Å
342G95.6Very high88.5Confident4 Ų461.4 Ų61.44%0.04133%0.331CS..EExtended strand (participates in β ladder)trans150.6-177.6-17900000110.1A297 L312A297-G342 CarbonylContact O-C 3.58Å; A297-G342 WeakPolarHBondContact O-CA 3.28Å; L312-G342 WeakPolarHBondContact CB-O 3.45Å; L312-G342 PolarHBondContact N-O 3.12Å
343Y95.5Very high89.1Confident51 Ų5157.7 Ų57.720%0.231%0.313CS..EExtended strand (participates in β ladder)trans-119.6144.2178.2-60-96.2000110.3A297 S298 D299 D310 A311 I340A297-Y343 PolarHBondContact N-O 3.03Å; A297-Y343 PolarHBondContact O-N 3.49Å; S298-Y343 WeakPolarHBondContact O-CE2 3.45Å; D299-Y343 VanDerWaalsContact C-CG 3.44Å; D299-Y343 WeakPolarHBondContact O-CB 3.49Å; D310-Y343 WeakPolarHBondContact O-CA 3.27Å; A311-Y343 HydrophobicContact CB-CD1 3.94Å; A311-Y343 HydrophobicContact CB-CE1 3.78Å; I340-Y343 HydrophobicContact CG2-CE2 4.36Å
344V95.3Very high89.6Confident0 Ų048.9 Ų48.90%029%0.285CS..EExtended strand (participates in β ladder)trans-141.7162.2-168.2-70.30000111.3V296 D310 L312 L326 F393 Y394V296-V344 HydrophobicContact CB-CG1 4.22Å; V296-V344 HydrophobicContact CG1-CG1 3.6Å; D310-V344 PolarHBondContact N-O 3.24Å; D310-V344 WeakPolarHBondContact O-CG2 3.13Å; D310-V344 PolarHBondContact O-N 2.88Å; L312-V344 HydrophobicContact CB-CG1 4.27Å; L312-V344 HydrophobicContact CB-CG2 4Å; L312-V344 HydrophobicContact CD1-CG2 4.33Å; L312-V344 HydrophobicContact CD2-CG1 4.03Å; L326-V344 HydrophobicContact CD2-CG2 3.39Å; V344-F393 HydrophobicContact CB-CB 4.21Å; V344-F393 HydrophobicContact CB-CD2 4.05Å; V344-F393 HydrophobicContact CB-CG 4.42Å; V344-F393 HydrophobicContact CG1-CD2 3.86Å; V344-F393 HydrophobicContact CG1-CE2 4.25Å; V344-F393 HydrophobicContact CG2-CB 3.75Å; V344-F393 HydrophobicContact CG2-CD2 4.15Å; V344-F393 HydrophobicContact CG2-CG 4.07Å; V344-Y394 WeakPolarHBondContact CB-O 2.99Å
345A92.8Very high90Very high0 Ų047.4 Ų47.40%027%0.267CS..BIsolated β-bridgetrans-81.7133.9173.100000111G347 V350 A353 Y394A345-G347 VanDerWaalsContact C-N 3.27Å; A345-G347 PolarHBondContact O-N 2.81Å; A345-V350 HydrophobicContact CB-CB 3.86Å; A345-V350 HydrophobicContact CB-CG1 4.11Å; A345-A353 HydrophobicContact CB-CB 3.37Å; A345-Y394 PolarHBondContact N-O 2.82Å; A345-Y394 PolarHBondContact O-N 2.9Å
346S88.9Confident90.1Very high10 Ų1047.8 Ų47.87%0.0727%0.271CS..SBendtrans-74.2-13.8168.936.70000114.2K21 D310K21-S346 WeakPolarHBondContact CE-OG 3.47Å; D310-S346 WeakPolarHBondContact OD2-CB 3.48Å; D310-S346 PolarHBondContact OD2-N 3.13Å; D310-S346 PolarHBondContact OD2-OG 2.98Å
347G86.9Confident90.5Very high8 Ų840.9 Ų40.98%0.08224%0.241CC..SBendtrans-142.3163.1-176.400000113.3A345A345-G347 VanDerWaalsContact C-N 3.27Å; A345-G347 PolarHBondContact O-N 2.81Å
348K87.8Confident91.1Very high150 Ų15036.3 Ų36.365%0.65222%0.215SC*.THydrogen-bonded Turntrans-63.1145.8173.8-164.4-177.6177.4-1720109.7V350 Y394K348-V350 PolarHBondContact O-N 3.14Å; K348-Y394 HydrophobicContact CB-CD1 4.18Å; K348-Y394 HydrophobicContact CB-CE1 3.58Å; K348-Y394 HydrophobicContact CB-CE2 4.22Å; K348-Y394 HydrophobicContact CG-CD1 4.38Å; K348-Y394 HydrophobicContact CG-CE1 3.82Å
349A87.3Confident91.7Very high74 Ų7435.9 Ų35.961%0.61221%0.206SC*.THydrogen-bonded Turntrans63.8-9.4177.900000116.5C351 G352 A353A349-C351 PolarHBondContact O-N 2.79Å; A349-C351 VanDerWaalsContact O-N 3.1Å; A349-G352 PolarHBondContact O-N 2.85Å; A349-A353 PolarHBondContact N-O 3.08Å
350V86.6Confident91.7Very high60 Ų6032.2 Ų32.236%0.36419%0.189SC..G310 helixtrans-56.2118.7168.6176.70000108.3L309 A345 K348 G352 A353L309-V350 HydrophobicContact CD2-CG1 4.49Å; A345-V350 HydrophobicContact CB-CB 3.86Å; A345-V350 HydrophobicContact CB-CG1 4.11Å; K348-V350 PolarHBondContact O-N 3.14Å; V350-G352 PolarHBondContact O-N 3.12Å; V350-G352 VanDerWaalsContact O-N 3.12Å; V350-A353 VanDerWaalsContact O-CB 3.28Å; V350-A353 WeakPolarHBondContact O-CB 3.46Å; V350-A353 PolarHBondContact O-N 2.91Å
351C89.3Confident91.5Very high34 Ų3430 Ų3023%0.2318%0.18CC..G310 helixtrans51.129.4-172.6-56.90000115C306 L309 A349 A353 W396 I401C306-C351 WeakPolarHBondContact CA-SG 3.33Å; C306-C351 HydrophobicContact CB-CB 3.68Å; C306-C351 WeakPolarHBondContact CB-SG 3.44Å; C306-C351 WeakPolarHBondContact SG-CB 3.35Å; C306-C351 CovalentContact SG-SG 2.02Å; C306-C351 PolarHBondContact SG-SG 3.47Å; L309-C351 HydrophobicContact CD2-CB 4.28Å; A349-C351 PolarHBondContact O-N 2.79Å; A349-C351 VanDerWaalsContact O-N 3.1Å; C351-A353 VanDerWaalsContact C-N 3.29Å; C351-A353 PolarHBondContact O-N 3.17Å; C351-W396 HydrophobicContact CB-CZ2 3.94Å; C351-W396 PolarHBondContact O-NE1 2.99Å; C351-I401 HydrophobicContact CB-CD1 4.36Å; C351-I401 HydrophobicContact CB-CG2 4.31Å
352G88.6Confident91.2Very high52 Ų5229.7 Ų29.754%0.53618%0.178SC..G310 helixtrans75.18-176.100000115.5A349 V350 D354A349-G352 PolarHBondContact O-N 2.85Å; V350-G352 PolarHBondContact O-N 3.12Å; V350-G352 VanDerWaalsContact O-N 3.12Å; G352-D354 PolarHBondContact O-N 2.7Å
353A91.8Very high90.9Very high0 Ų038.1 Ų38.10%021%0.208CC..  trans-66.8121.3177.100000111A345 A349 V350 C351 W396A345-A353 HydrophobicContact CB-CB 3.37Å; A349-A353 PolarHBondContact N-O 3.08Å; V350-A353 VanDerWaalsContact O-CB 3.28Å; V350-A353 WeakPolarHBondContact O-CB 3.46Å; V350-A353 PolarHBondContact O-N 2.91Å; C351-A353 VanDerWaalsContact C-N 3.29Å; C351-A353 PolarHBondContact O-N 3.17Å; A353-W396 HydrophobicContact CB-CD2 4.11Å; A353-W396 HydrophobicContact CB-CG 4.47Å; A353-W396 HydrophobicContact CB-CH2 4.48Å; A353-W396 HydrophobicContact CB-CZ2 3.89Å
354D91.2Very high90.4Very high58 Ų5837.9 Ų37.931%0.3121%0.207SC..  trans-122.5-10.4-16778.2-30.7000114G352 P356 M395 K397G352-D354 PolarHBondContact O-N 2.7Å; D354-P356 WeakPolarHBondContact O-CD 3.44Å; D354-M395 PolarHBondContact N-O 3.26Å; D354-K397 WeakPolarHBondContact OD1-CG 3.43Å; D354-K397 PolarHBondContact OD1-N 3.12Å; D354-K397 VanDerWaalsContact OD2-CD 3.26Å; D354-K397 WeakPolarHBondContact OD2-CD 3.2Å; D354-K397 WeakPolarHBondContact OD2-CE 3.49Å; D354-K397 IonicContact OD2-NZ 3.67Å; D354-K397 PolarHBondContact OD2-NZ 2.75Å
355T93.3Very high90Very high11 Ų1145 Ų457%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-104.6106.8-174.4-59.10000110.6K374 Y394 M395 K397T355-K374 HydrophobicContact CG2-CB 4.07Å; T355-Y394 CarbonylContact O-C 3.56Å; T355-Y394 WeakPolarHBondContact O-CA 3.2Å; T355-M395 VanDerWaalsContact CB-O 3.28Å; T355-M395 WeakPolarHBondContact CB-O 3.37Å; T355-M395 HydrophobicContact CG2-CE 3.54Å; T355-M395 HydrophobicContact CG2-CG 3.99Å; T355-M395 PolarHBondContact N-O 3.16Å; T355-M395 PolarHBondContact O-N 3.36Å; T355-K397 WeakPolarHBondContact OG1-CE 2.96Å; T355-K397 WeakPolarHBondContact OG1-CG 3.47Å
356P92.5Very high89.6Confident22 Ų2248.1 Ų48.114%0.14327%0.27CS..EExtended strand (participates in β ladder)trans-67.9141.4175.228.2-33.6000110.7D354 Y358 Q391 Y394D354-P356 WeakPolarHBondContact O-CD 3.44Å; P356-Y358 HydrophobicContact CB-CE1 4.2Å; P356-Y358 HydrophobicContact CB-CE2 4.17Å; P356-Y358 HydrophobicContact CG-CE1 4.42Å; P356-Y358 HydrophobicContact CG-CE2 3.78Å; P356-Y358 WeakPolarHBondContact CG-OH 3.4Å; P356-Q391 VanDerWaalsContact CB-CD 3.49Å; P356-Q391 HydrophobicContact CB-CG 3.83Å; P356-Y394 HydrophobicContact CB-CD1 4.1Å; P356-Y394 HydrophobicContact CB-CE1 3.67Å; P356-Y394 HydrophobicContact CG-CE1 4.32Å
357V95.1Very high89.5Confident0 Ų050.9 Ų50.90%028%0.282CS..EExtended strand (participates in β ladder)trans-104.1120.1165.3175.20000108.9F293 Y372 Q391 P392 F393 M395F293-V357 HydrophobicContact CE1-CG1 3.99Å; F293-V357 HydrophobicContact CE1-CG2 3.68Å; F293-V357 HydrophobicContact CZ-CG1 3.99Å; F293-V357 HydrophobicContact CZ-CG2 3.96Å; V357-Y372 HydrophobicContact CG1-CD1 3.94Å; V357-Q391 CarbonylContact O-C 3.52Å; V357-Q391 VanDerWaalsContact O-CA 3.27Å; V357-Q391 WeakPolarHBondContact O-CA 3.42Å; V357-Q391 WeakPolarHBondContact O-CG 3.44Å; V357-P392 VanDerWaalsContact O-CD 3.28Å; V357-P392 WeakPolarHBondContact O-CD 3.26Å; V357-F393 HydrophobicContact CB-CD1 4.45Å; V357-F393 HydrophobicContact CB-CD2 4.1Å; V357-F393 HydrophobicContact CB-CE1 4.16Å; V357-F393 HydrophobicContact CB-CE2 3.82Å; V357-F393 HydrophobicContact CB-CG 4.41Å; V357-F393 HydrophobicContact CB-CZ 3.85Å; V357-F393 HydrophobicContact CG1-CE1 3.93Å; V357-F393 HydrophobicContact CG1-CE2 4.18Å; V357-F393 HydrophobicContact CG1-CZ 3.7Å; V357-F393 HydrophobicContact CG2-CD2 3.95Å; V357-F393 HydrophobicContact CG2-CE2 3.47Å; V357-F393 VanDerWaalsContact CG2-CE2 3.47Å; V357-F393 HydrophobicContact CG2-CZ 3.86Å; V357-F393 PolarHBondContact N-O 2.83Å; V357-M395 HydrophobicContact CG2-CE 3.67Å; V357-M395 HydrophobicContact CG2-CG 3.99Å; V357-M395 HydrophobicContact CG2-SD 3.61Å
358Y90.9Very high89.7Confident30 Ų3058 Ų5812%0.11831%0.311CS..EExtended strand (participates in β ladder)trans-95.8130.6177.8-56.7-72.4000110.7P356 Y360 Y372 A373 K376 Y388 Q391P356-Y358 HydrophobicContact CB-CE1 4.2Å; P356-Y358 HydrophobicContact CB-CE2 4.17Å; P356-Y358 HydrophobicContact CG-CE1 4.42Å; P356-Y358 HydrophobicContact CG-CE2 3.78Å; P356-Y358 WeakPolarHBondContact CG-OH 3.4Å; Y358-Y360 VanDerWaalsContact CB-CE2 3.49Å; Y358-Y372 WeakPolarHBondContact O-CA 3.29Å; Y358-A373 PolarHBondContact N-O 3.43Å; Y358-A373 PolarHBondContact O-N 3.09Å; Y358-K376 HydrophobicContact CD1-CG 4.08Å; Y358-K376 HydrophobicContact CD2-CG 4.04Å; Y358-K376 HydrophobicContact CE1-CD 4.18Å; Y358-K376 HydrophobicContact CE1-CG 3.86Å; Y358-K376 HydrophobicContact CE2-CG 3.83Å; Y358-K376 HydrophobicContact CG-CG 4.14Å; Y358-Y388 AromaticContact CD1-CE2 3.95Å; Y358-Y388 HydrophobicContact CD1-CE2 3.95Å; Y358-Q391 HydrophobicContact CD1-CB 4.12Å; Y358-Q391 HydrophobicContact CD1-CG 3.88Å; Y358-Q391 HydrophobicContact CE1-CB 4.49Å; Y358-Q391 HydrophobicContact CE1-CG 4.01Å; Y358-Q391 VanDerWaalsContact CE1-OE1 3.26Å
359H93Very high89.9Confident15 Ų1550.9 Ų50.97%0.06928%0.28CS..EExtended strand (participates in β ladder)trans-101.3129.4177.1174.6-148.4000110.8N370 L371 Y372 V389 G390 P392H359-N370 PolarHBondContact NE2-OD1 2.95Å; H359-L371 WeakPolarHBondContact CA-O 3.4Å; H359-Y372 HydrophobicContact CB-CD1 4.16Å; H359-Y372 HydrophobicContact CB-CE1 3.78Å; H359-Y372 AromaticContact CD2-CE1 3.74Å; H359-Y372 AromaticContact CD2-CZ 3.57Å; H359-Y372 AromaticContact CG-CE1 3.75Å; H359-Y372 AromaticContact CG-CZ 4Å; H359-V389 HydrophobicContact CB-CB 4.46Å; H359-V389 PolarHBondContact O-N 3.14Å; H359-G390 PolarHBondContact N-O 2.72Å; H359-G390 PolarHBondContact O-N 2.83Å; H359-P392 HydrophobicContact CB-CG 3.99Å
360Y92.3Very high90.1Very high13 Ų1347.5 Ų47.55%0.05125%0.251CS..EExtended strand (participates in β ladder)trans-127.9150.3175.2-61.3-102.6000111.1Y358 N370 L371 K376 V379 N386 K387 Y388Y358-Y360 VanDerWaalsContact CB-CE2 3.49Å; Y360-N370 WeakPolarHBondContact O-CA 3.37Å; Y360-L371 PolarHBondContact N-O 3.38Å; Y360-L371 PolarHBondContact O-N 2.87Å; Y360-K376 WeakPolarHBondContact OH-CA 3.36Å; Y360-V379 HydrophobicContact CD1-CB 4.47Å; Y360-V379 HydrophobicContact CD1-CG1 4.13Å; Y360-V379 HydrophobicContact CD2-CB 4.21Å; Y360-V379 HydrophobicContact CD2-CG1 4.34Å; Y360-V379 HydrophobicContact CD2-CG2 3.54Å; Y360-V379 HydrophobicContact CE1-CB 4.5Å; Y360-V379 HydrophobicContact CE2-CB 4.2Å; Y360-V379 HydrophobicContact CE2-CG2 3.66Å; Y360-V379 HydrophobicContact CG-CB 4.34Å; Y360-V379 HydrophobicContact CG-CG1 4.02Å; Y360-V379 HydrophobicContact CG-CG2 4.08Å; Y360-N386 WeakPolarHBondContact CD1-OD1 3.39Å; Y360-K387 CarbonylContact C-O 3.57Å; Y360-K387 VanDerWaalsContact CA-O 3.29Å; Y360-K387 WeakPolarHBondContact CA-O 3.35Å; Y360-Y388 HydrophobicContact CD1-CD2 4.25Å; Y360-Y388 AromaticContact CE1-CD2 3.73Å; Y360-Y388 HydrophobicContact CE1-CD2 3.73Å; Y360-Y388 HydrophobicContact CE1-CG 4.24Å; Y360-Y388 HydrophobicContact CE2-CD2 4.28Å; Y360-Y388 AromaticContact CZ-CD2 3.72Å
361V91.3Very high90.4Very high26 Ų2645.2 Ų45.216%0.15824%0.237CC..EExtended strand (participates in β ladder)trans-110.7126.1167.8168.80000109.2K368 V369 N370 N386 K387 V389V361-K368 HydrophobicContact CG1-CB 4.06Å; V361-K368 HydrophobicContact CG1-CD 4.18Å; V361-K368 HydrophobicContact CG1-CG 4.15Å; V361-V369 WeakPolarHBondContact CA-O 3.12Å; V361-N370 WeakPolarHBondContact CG2-OD1 3.39Å; V361-N386 CarbonylContact O-C 3.53Å; V361-N386 WeakPolarHBondContact O-CA 3.46Å; V361-K387 PolarHBondContact N-O 2.78Å; V361-K387 PolarHBondContact O-N 3.16Å; V361-V389 HydrophobicContact CB-CG2 4.16Å; V361-V389 HydrophobicContact CG2-CG2 3.65Å
362M89.2Confident90.7Very high6 Ų643.7 Ų43.73%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-120.2164.8175.874.2174.6-36.900111.6W364 K368 V369 L371 R384 N386M362-W364 HydrophobicContact CE-CE3 4.3Å; M362-W364 HydrophobicContact SD-CE3 4.12Å; M362-K368 WeakPolarHBondContact O-CA 3.4Å; M362-V369 HydrophobicContact CG-CG2 3.41Å; M362-V369 VanDerWaalsContact CG-CG2 3.41Å; M362-V369 PolarHBondContact N-O 2.9Å; M362-V369 PolarHBondContact O-N 2.66Å; M362-V369 HydrophobicContact SD-CG2 3.97Å; M362-L371 HydrophobicContact CB-CD1 4.4Å; M362-L371 HydrophobicContact CE-CD1 4.42Å; M362-L371 HydrophobicContact CG-CD1 4.16Å; M362-L371 HydrophobicContact CG-CG 4.17Å; M362-L371 HydrophobicContact SD-CD1 3.6Å; M362-L371 VanDerWaalsContact SD-CD1 3.6Å; M362-L371 HydrophobicContact SD-CD2 3.84Å; M362-L371 HydrophobicContact SD-CG 3.86Å; M362-R384 HydrophobicContact CE-CB 3.66Å; M362-R384 VanDerWaalsContact CE-CD 3.44Å; M362-R384 HydrophobicContact CE-CG 4.18Å; M362-N386 HydrophobicContact CB-CB 4.17Å
363R88.9Confident90.9Very high180 Ų18041.3 Ų41.368%0.67920%0.201SC*.EExtended strand (participates in β ladder)trans-89.7125.4162.8-75.3-169.3179-164.21.3111.1Q367R363-Q367 CarbonylContact C-O 3.59Å; R363-Q367 WeakPolarHBondContact CA-O 3.4Å
364W85.7Confident90.8Very high47 Ų4746.5 Ų46.518%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-125.6118.2170.6-171.7-81.9000109.9K271 W272 M362 G366 Q367 V369 R384K271-W364 PolarHBondContact O-NE1 2.77Å; W272-W364 VanDerWaalsContact O-CG 3.26Å; M362-W364 HydrophobicContact CE-CE3 4.3Å; M362-W364 HydrophobicContact SD-CE3 4.12Å; W364-G366 PolarHBondContact O-N 2.85Å; W364-Q367 PolarHBondContact N-O 3.34Å; W364-Q367 PolarHBondContact O-N 3.3Å; W364-V369 HydrophobicContact CB-CG1 4.3Å; W364-V369 HydrophobicContact CB-CG2 3.68Å; W364-R384 VanDerWaalsContact CD2-NH1 3.25Å
365K86.3Confident90.5Very high150 Ų15047.3 Ų47.365%0.65223%0.228SC*.THydrogen-bonded Turntrans46.646.9-178.2-62.9179179.1173.30112.9K271 Q367K271-K365 PolarHBondContact O-NZ 2.76Å; K365-Q367 VanDerWaalsContact C-N 3.28Å; K365-Q367 PolarHBondContact O-N 3.49Å
366G85.1Confident90Very high65 Ų6551.7 Ų51.767%0.6725%0.246SC*.THydrogen-bonded Turntrans81.4-15.5-178.900000116.1W364W364-G366 PolarHBondContact O-N 2.85Å
367Q86.8Confident89.4Confident67 Ų6754.5 Ų54.531%0.31326%0.26SS..EExtended strand (participates in β ladder)trans-96.9148.7-177.6-63.4179.2-3.300111.8R363 W364 K365R363-Q367 CarbonylContact C-O 3.59Å; R363-Q367 WeakPolarHBondContact CA-O 3.4Å; W364-Q367 PolarHBondContact N-O 3.34Å; W364-Q367 PolarHBondContact O-N 3.3Å; K365-Q367 VanDerWaalsContact C-N 3.28Å; K365-Q367 PolarHBondContact O-N 3.49Å
368K90Very high88.8Confident159 Ų15957 Ų5769%0.69127%0.272SS*.EExtended strand (participates in β ladder)trans-76.6131168-71.2-176.5179.5-178.60109V361 M362V361-K368 HydrophobicContact CG1-CB 4.06Å; V361-K368 HydrophobicContact CG1-CD 4.18Å; V361-K368 HydrophobicContact CG1-CG 4.15Å; M362-K368 WeakPolarHBondContact O-CA 3.4Å
369V92.3Very high88.2Confident0 Ų055.9 Ų55.90%027%0.268CS..EExtended strand (participates in β ladder)trans-134.7151.4176.1-62.10000111.3V361 M362 W364V361-V369 WeakPolarHBondContact CA-O 3.12Å; M362-V369 HydrophobicContact CG-CG2 3.41Å; M362-V369 VanDerWaalsContact CG-CG2 3.41Å; M362-V369 PolarHBondContact N-O 2.9Å; M362-V369 PolarHBondContact O-N 2.66Å; M362-V369 HydrophobicContact SD-CG2 3.97Å; W364-V369 HydrophobicContact CB-CG1 4.3Å; W364-V369 HydrophobicContact CB-CG2 3.68Å
370N92.9Very high87.3Confident2 Ų261.9 Ų61.91%0.01129%0.294CS..EExtended strand (participates in β ladder)trans-90.5139.7179.3-64.6-43.1000111.4V275 N321 R322 Y335 H359 Y360 V361 Y372V275-N370 PolarHBondContact N-O 2.83Å; V275-N370 VanDerWaalsContact N-O 3.12Å; N321-N370 PolarHBondContact ND2-N 3.29Å; N321-N370 PolarHBondContact ND2-ND2 3.32Å; N321-N370 PolarHBondContact OD1-N 2.93Å; N321-N370 VanDerWaalsContact OD1-N 3.12Å; R322-N370 WeakPolarHBondContact O-CB 3.34Å; R322-N370 PolarHBondContact O-ND2 3.31Å; Y335-N370 PolarHBondContact OH-ND2 3.01Å; Y335-N370 VanDerWaalsContact OH-ND2 3.11Å; H359-N370 PolarHBondContact NE2-OD1 2.95Å; Y360-N370 WeakPolarHBondContact O-CA 3.37Å; V361-N370 WeakPolarHBondContact CG2-OD1 3.39Å; N370-Y372 HydrophobicContact CB-CE2 3.69Å
371L92.8Very high86.2Confident13 Ų1368 Ų687%0.06833%0.327CS..EExtended strand (participates in β ladder)trans-121.1145.7170.4-59.9-178.3000109.9V275 H359 Y360 M362 V379 T382V275-L371 HydrophobicContact CG2-CB 4.44Å; V275-L371 HydrophobicContact CG2-CD2 3.75Å; H359-L371 WeakPolarHBondContact CA-O 3.4Å; Y360-L371 PolarHBondContact N-O 3.38Å; Y360-L371 PolarHBondContact O-N 2.87Å; M362-L371 HydrophobicContact CB-CD1 4.4Å; M362-L371 HydrophobicContact CE-CD1 4.42Å; M362-L371 HydrophobicContact CG-CD1 4.16Å; M362-L371 HydrophobicContact CG-CG 4.17Å; M362-L371 HydrophobicContact SD-CD1 3.6Å; M362-L371 VanDerWaalsContact SD-CD1 3.6Å; M362-L371 HydrophobicContact SD-CD2 3.84Å; M362-L371 HydrophobicContact SD-CG 3.86Å; L371-V379 HydrophobicContact CD1-CG1 3.87Å; L371-V379 HydrophobicContact CD1-CG2 4.47Å; L371-T382 HydrophobicContact CD1-CG2 4.3Å
372Y94.1Very high85.3Confident2 Ų269.3 Ų69.31%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-128.9124.1175.8-63.2-90.2000109.1R266 V275 L277 M323 Y324 V357 Y358 H359 N370 P392R266-Y372 WeakPolarHBondContact CD-O 3.46Å; R266-Y372 PolarHBondContact NH1-O 2.95Å; V275-Y372 HydrophobicContact CB-CD2 4.28Å; V275-Y372 HydrophobicContact CG1-CD2 4.16Å; L277-Y372 HydrophobicContact CD1-CG 4.49Å; M323-Y372 WeakPolarHBondContact CA-OH 3.38Å; Y324-Y372 AromaticContact CD2-CD2 3.78Å; Y324-Y372 HydrophobicContact CD2-CD2 3.78Å; Y324-Y372 HydrophobicContact CD2-CE1 4.29Å; Y324-Y372 AromaticContact CD2-CE2 3.5Å; Y324-Y372 HydrophobicContact CD2-CE2 3.5Å; Y324-Y372 VanDerWaalsContact CD2-CE2 3.5Å; Y324-Y372 HydrophobicContact CD2-CG 4.32Å; Y324-Y372 AromaticContact CD2-CZ 3.79Å; Y324-Y372 HydrophobicContact CE2-CD2 4.22Å; Y324-Y372 HydrophobicContact CE2-CE2 4.11Å; Y324-Y372 PolarHBondContact N-OH 3.37Å; V357-Y372 HydrophobicContact CG1-CD1 3.94Å; Y358-Y372 WeakPolarHBondContact O-CA 3.29Å; H359-Y372 HydrophobicContact CB-CD1 4.16Å; H359-Y372 HydrophobicContact CB-CE1 3.78Å; H359-Y372 AromaticContact CD2-CE1 3.74Å; H359-Y372 AromaticContact CD2-CZ 3.57Å; H359-Y372 AromaticContact CG-CE1 3.75Å; H359-Y372 AromaticContact CG-CZ 4Å; N370-Y372 HydrophobicContact CB-CE2 3.69Å; Y372-P392 HydrophobicContact CE1-CG 4.31Å
373A92.7Very high84.7Confident1 Ų180.5 Ų80.51%0.00838%0.377CS..EExtended strand (participates in β ladder)trans-132.1149.2-173.500000111Y358 D375 E378 V379Y358-A373 PolarHBondContact N-O 3.43Å; Y358-A373 PolarHBondContact O-N 3.09Å; A373-D375 VanDerWaalsContact C-N 3.33Å; A373-D375 WeakPolarHBondContact CB-O 3.16Å; A373-E378 WeakPolarHBondContact CA-OE2 3.32Å; A373-E378 HydrophobicContact CB-CB 4.09Å; A373-E378 WeakPolarHBondContact CB-OE2 3.14Å; A373-V379 HydrophobicContact CB-CG2 3.62Å
374K90.3Very high84.2Confident109 Ų10976.9 Ų76.947%0.47436%0.363SS..SBendtrans-88.8-7.1176.464.3179.1-178.9-179.90113.2F293 T355 E378 M395F293-K374 HydrophobicContact CE2-CB 4.06Å; T355-K374 HydrophobicContact CG2-CB 4.07Å; K374-E378 PolarHBondContact N-OE2 2.71Å; K374-M395 HydrophobicContact CB-CE 4.04Å
375D85.9Confident84.2Confident76 Ų7684.2 Ų84.241%0.40640%0.396SS..SBendtrans-143.1150.1-179.9176.125.9000109.5A373 D377 E378A373-D375 VanDerWaalsContact C-N 3.33Å; A373-D375 WeakPolarHBondContact CB-O 3.16Å; D375-D377 VanDerWaalsContact C-N 3.35Å; D375-D377 PolarHBondContact OD1-N 3.42Å; D375-E378 HydrophobicContact CB-CB 4.39Å
376K82.3Confident84.3Confident103 Ų10379.9 Ų79.945%0.44838%0.38SS..Hα-helixtrans-72.7-29.5177.8-60.3-175.8-179.1176.60112Y358 Y360Y358-K376 HydrophobicContact CD1-CG 4.08Å; Y358-K376 HydrophobicContact CD2-CG 4.04Å; Y358-K376 HydrophobicContact CE1-CD 4.18Å; Y358-K376 HydrophobicContact CE1-CG 3.86Å; Y358-K376 HydrophobicContact CE2-CG 3.83Å; Y358-K376 HydrophobicContact CG-CG 4.14Å; Y360-K376 WeakPolarHBondContact OH-CA 3.36Å
377D79.9Confident84.5Confident81 Ų8184.2 Ų84.243%0.43338%0.381SS..Hα-helixtrans-78.5-23.8-179.6-67-19.4000112.8D375 V379 K380 L381D375-D377 VanDerWaalsContact C-N 3.35Å; D375-D377 PolarHBondContact OD1-N 3.42Å; D377-V379 VanDerWaalsContact C-N 3.26Å; D377-V379 PolarHBondContact O-N 2.81Å; D377-K380 HydrophobicContact CB-CD 4.42Å; D377-K380 VanDerWaalsContact O-CB 3.29Å; D377-K380 WeakPolarHBondContact O-CB 3.14Å; D377-K380 PolarHBondContact O-N 3.02Å; D377-K380 WeakPolarHBondContact OD1-CD 2.94Å; D377-K380 WeakPolarHBondContact OD1-CE 3.43Å; D377-K380 IonicContact OD1-NZ 3.61Å; D377-K380 PolarHBondContact OD1-NZ 3.13Å; D377-L381 PolarHBondContact O-N 3.01Å
378E82.2Confident84.5Confident53 Ų5385.2 Ų85.225%0.24838%0.382CS..Hα-helixtrans-54.5-40.6176.9-153.9-160151.200112.7R266 A373 K374 D375 L381R266-E378 IonicContact CZ-OE1 3.09Å; R266-E378 IonicContact CZ-OE2 3.09Å; R266-E378 IonicContact NH1-OE1 2.71Å; R266-E378 PolarHBondContact NH1-OE1 2.9Å; R266-E378 IonicContact NH1-OE2 2.77Å; R266-E378 PolarHBondContact NH1-OE2 2.85Å; R266-E378 IonicContact NH2-OE1 3.43Å; R266-E378 PolarHBondContact NH2-OE1 3.48Å; R266-E378 IonicContact NH2-OE2 2.66Å; A373-E378 WeakPolarHBondContact CA-OE2 3.32Å; A373-E378 HydrophobicContact CB-CB 4.09Å; A373-E378 WeakPolarHBondContact CB-OE2 3.14Å; K374-E378 PolarHBondContact N-OE2 2.71Å; D375-E378 HydrophobicContact CB-CB 4.39Å; E378-L381 WeakPolarHBondContact O-CB 3.49Å; E378-L381 PolarHBondContact O-N 3.16Å
379V78.6Confident84.4Confident6 Ų681 Ų814%0.03637%0.369CS..Hα-helixtrans-76.9-23.4-179.5-178.50000112.1Y360 L371 A373 D377 L381 T382 N386Y360-V379 HydrophobicContact CD1-CB 4.47Å; Y360-V379 HydrophobicContact CD1-CG1 4.13Å; Y360-V379 HydrophobicContact CD2-CB 4.21Å; Y360-V379 HydrophobicContact CD2-CG1 4.34Å; Y360-V379 HydrophobicContact CD2-CG2 3.54Å; Y360-V379 HydrophobicContact CE1-CB 4.5Å; Y360-V379 HydrophobicContact CE2-CB 4.2Å; Y360-V379 HydrophobicContact CE2-CG2 3.66Å; Y360-V379 HydrophobicContact CG-CB 4.34Å; Y360-V379 HydrophobicContact CG-CG1 4.02Å; Y360-V379 HydrophobicContact CG-CG2 4.08Å; L371-V379 HydrophobicContact CD1-CG1 3.87Å; L371-V379 HydrophobicContact CD1-CG2 4.47Å; A373-V379 HydrophobicContact CB-CG2 3.62Å; D377-V379 VanDerWaalsContact C-N 3.26Å; D377-V379 PolarHBondContact O-N 2.81Å; V379-L381 PolarHBondContact O-N 2.78Å; V379-T382 WeakPolarHBondContact O-CB 3.37Å; V379-T382 WeakPolarHBondContact O-CG2 3.36Å; V379-T382 PolarHBondContact O-N 2.78Å; V379-T382 VanDerWaalsContact O-N 3.16Å; V379-T382 PolarHBondContact O-OG1 3.22Å; V379-N386 HydrophobicContact CG1-CB 4.02Å
380K73.4Confident84.1Confident141 Ų14181.8 Ų81.861%0.61338%0.378SS*.Hα-helixtrans-62.7-33.4172.8-58.6178.7-178.2168.70111.2D377 T382 R383D377-K380 HydrophobicContact CB-CD 4.42Å; D377-K380 VanDerWaalsContact O-CB 3.29Å; D377-K380 WeakPolarHBondContact O-CB 3.14Å; D377-K380 PolarHBondContact O-N 3.02Å; D377-K380 WeakPolarHBondContact OD1-CD 2.94Å; D377-K380 WeakPolarHBondContact OD1-CE 3.43Å; D377-K380 IonicContact OD1-NZ 3.61Å; D377-K380 PolarHBondContact OD1-NZ 3.13Å; K380-T382 PolarHBondContact O-N 3.19Å; K380-T382 VanDerWaalsContact O-N 3.12Å; K380-R383 PolarHBondContact O-N 3.37Å; K380-R383 VanDerWaalsContact O-N 3.08Å
381L68.7Low84Confident141 Ų14184.4 Ų84.474%0.73839%0.39SS*.THydrogen-bonded Turntrans-59.8-21.7176.5-58.5174.9000113.6D377 E378 V379 R383D377-L381 PolarHBondContact O-N 3.01Å; E378-L381 WeakPolarHBondContact O-CB 3.49Å; E378-L381 PolarHBondContact O-N 3.16Å; V379-L381 PolarHBondContact O-N 2.78Å; L381-R383 PolarHBondContact O-N 3.01Å
382T73.5Confident83.8Confident53 Ų5385.5 Ų85.533%0.32540%0.398SS..THydrogen-bonded Turntrans-66-14.8176.168.90000113.8L371 V379 K380 R384L371-T382 HydrophobicContact CD1-CG2 4.3Å; V379-T382 WeakPolarHBondContact O-CB 3.37Å; V379-T382 WeakPolarHBondContact O-CG2 3.36Å; V379-T382 PolarHBondContact O-N 2.78Å; V379-T382 VanDerWaalsContact O-N 3.16Å; V379-T382 PolarHBondContact O-OG1 3.22Å; K380-T382 PolarHBondContact O-N 3.19Å; K380-T382 VanDerWaalsContact O-N 3.12Å; T382-R384 WeakPolarHBondContact O-CG 3.5Å; T382-R384 PolarHBondContact O-N 3.22Å; T382-R384 PolarHBondContact OG1-N 3.32Å
383R75.5Confident83.8Confident242 Ų24285.4 Ų85.491%0.91340%0.398SS*.  trans52.118.6-174.3-58.4-174.5-179.6-170.7-0.6114.5K380 L381K380-R383 PolarHBondContact O-N 3.37Å; K380-R383 VanDerWaalsContact O-N 3.08Å; L381-R383 PolarHBondContact O-N 3.01Å
384R80.1Confident83.9Confident103 Ų10386.8 Ų86.839%0.38940%0.403SS..SBendtrans-116145.4-177.6-75-179.7-178.3-169.515.2111M362 W364 T382 N386M362-R384 HydrophobicContact CE-CB 3.66Å; M362-R384 VanDerWaalsContact CE-CD 3.44Å; M362-R384 HydrophobicContact CE-CG 4.18Å; W364-R384 VanDerWaalsContact CD2-NH1 3.25Å; T382-R384 WeakPolarHBondContact O-CG 3.5Å; T382-R384 PolarHBondContact O-N 3.22Å; T382-R384 PolarHBondContact OG1-N 3.32Å; R384-N386 PolarHBondContact O-N 3.43Å; R384-N386 VanDerWaalsContact O-N 3.12Å; R384-N386 PolarHBondContact O-ND2 3.2Å
385K85.1Confident84.1Confident201 Ų20181.6 Ų81.687%0.87438%0.38SS*.  trans-57.1118.7171.4-67.1-170.5179.2-174.50109.3
386N87.6Confident84.5Confident60 Ų6078.4 Ų78.432%0.32136%0.362SS..EExtended strand (participates in β ladder)trans-128.5156.6177.962.284.6000108.3Y360 V361 M362 V379 R384Y360-N386 WeakPolarHBondContact CD1-OD1 3.39Å; V361-N386 CarbonylContact O-C 3.53Å; V361-N386 WeakPolarHBondContact O-CA 3.46Å; M362-N386 HydrophobicContact CB-CB 4.17Å; V379-N386 HydrophobicContact CG1-CB 4.02Å; R384-N386 PolarHBondContact O-N 3.43Å; R384-N386 VanDerWaalsContact O-N 3.12Å; R384-N386 PolarHBondContact O-ND2 3.2Å
387K88.9Confident84.8Confident155 Ų15579.8 Ų79.867%0.67437%0.368SS*.EExtended strand (participates in β ladder)trans-117.5125.2172.3-179.3-177.4176.1-173.90107.5Y360 V361Y360-K387 CarbonylContact C-O 3.57Å; Y360-K387 VanDerWaalsContact CA-O 3.29Å; Y360-K387 WeakPolarHBondContact CA-O 3.35Å; V361-K387 PolarHBondContact N-O 2.78Å; V361-K387 PolarHBondContact O-N 3.16Å
388Y87.5Confident84.9Confident88 Ų8882.8 Ų82.835%0.34538%0.38SS..EExtended strand (participates in β ladder)trans-63.6130.8166.1178.5-111.6000109.5Y358 Y360 G390Y358-Y388 AromaticContact CD1-CE2 3.95Å; Y358-Y388 HydrophobicContact CD1-CE2 3.95Å; Y360-Y388 HydrophobicContact CD1-CD2 4.25Å; Y360-Y388 AromaticContact CE1-CD2 3.73Å; Y360-Y388 HydrophobicContact CE1-CD2 3.73Å; Y360-Y388 HydrophobicContact CE1-CG 4.24Å; Y360-Y388 HydrophobicContact CE2-CD2 4.28Å; Y360-Y388 AromaticContact CZ-CD2 3.72Å; Y388-G390 WeakPolarHBondContact CE2-O 3.28Å; Y388-G390 VanDerWaalsContact OH-C 3.28Å
389V87.4Confident84.6Confident70 Ų7081.3 Ų81.342%0.42438%0.379SS..EExtended strand (participates in β ladder)trans-103.1-43.8178-178.90000110.6H359 V361H359-V389 HydrophobicContact CB-CB 4.46Å; H359-V389 PolarHBondContact O-N 3.14Å; V361-V389 HydrophobicContact CB-CG2 4.16Å; V361-V389 HydrophobicContact CG2-CG2 3.65Å
390G87.7Confident84.3Confident18 Ų1884.6 Ų84.619%0.18640%0.399CS..EExtended strand (participates in β ladder)trans166.8-167.4-176.600000111.8H359 Y388H359-G390 PolarHBondContact N-O 2.72Å; H359-G390 PolarHBondContact O-N 2.83Å; Y388-G390 WeakPolarHBondContact CE2-O 3.28Å; Y388-G390 VanDerWaalsContact OH-C 3.28Å
391Q88.9Confident84.1Confident57 Ų5778.1 Ų78.127%0.26637%0.371SS..EExtended strand (participates in β ladder)trans-128.978-179.4-172.6-161.2-10000108.8P356 V357 Y358 F393 Y394P356-Q391 VanDerWaalsContact CB-CD 3.49Å; P356-Q391 HydrophobicContact CB-CG 3.83Å; V357-Q391 CarbonylContact O-C 3.52Å; V357-Q391 VanDerWaalsContact O-CA 3.27Å; V357-Q391 WeakPolarHBondContact O-CA 3.42Å; V357-Q391 WeakPolarHBondContact O-CG 3.44Å; Y358-Q391 HydrophobicContact CD1-CB 4.12Å; Y358-Q391 HydrophobicContact CD1-CG 3.88Å; Y358-Q391 HydrophobicContact CE1-CB 4.49Å; Y358-Q391 HydrophobicContact CE1-CG 4.01Å; Y358-Q391 VanDerWaalsContact CE1-OE1 3.26Å; Q391-F393 VanDerWaalsContact C-N 3.3Å; Q391-F393 PolarHBondContact O-N 2.73Å; Q391-Y394 PolarHBondContact NE2-OH 2.63Å
392P90.1Very high83.6Confident35 Ų3575.8 Ų75.823%0.22737%0.367CS..EExtended strand (participates in β ladder)trans-66.7-21-162.523.9-36.9000115.9L326 V357 H359 Y372L326-P392 VanDerWaalsContact CD1-O 3.3Å; L326-P392 WeakPolarHBondContact CD1-O 3.41Å; V357-P392 VanDerWaalsContact O-CD 3.28Å; V357-P392 WeakPolarHBondContact O-CD 3.26Å; H359-P392 HydrophobicContact CB-CG 3.99Å; Y372-P392 HydrophobicContact CE1-CG 4.31Å
393F93.7Very high84.1Confident0 Ų076.9 Ų76.90%037%0.369CS..EExtended strand (participates in β ladder)trans-163.2169.8179.560.1-86.5000112.8L277 L312 L326 V344 V357 Q391L277-F393 HydrophobicContact CD1-CZ 4.22Å; L312-F393 HydrophobicContact CD1-CD1 3.7Å; L312-F393 HydrophobicContact CD1-CE1 3.55Å; L312-F393 HydrophobicContact CD1-CE2 4.4Å; L312-F393 HydrophobicContact CD1-CG 4.24Å; L312-F393 HydrophobicContact CD1-CZ 3.91Å; L312-F393 HydrophobicContact CD2-CE1 4.33Å; L312-F393 HydrophobicContact CD2-CE2 3.95Å; L312-F393 HydrophobicContact CD2-CZ 3.82Å; L326-F393 HydrophobicContact CD1-CB 4.48Å; L326-F393 HydrophobicContact CD2-CB 4.08Å; V344-F393 HydrophobicContact CB-CB 4.21Å; V344-F393 HydrophobicContact CB-CD2 4.05Å; V344-F393 HydrophobicContact CB-CG 4.42Å; V344-F393 HydrophobicContact CG1-CD2 3.86Å; V344-F393 HydrophobicContact CG1-CE2 4.25Å; V344-F393 HydrophobicContact CG2-CB 3.75Å; V344-F393 HydrophobicContact CG2-CD2 4.15Å; V344-F393 HydrophobicContact CG2-CG 4.07Å; V357-F393 HydrophobicContact CB-CD1 4.45Å; V357-F393 HydrophobicContact CB-CD2 4.1Å; V357-F393 HydrophobicContact CB-CE1 4.16Å; V357-F393 HydrophobicContact CB-CE2 3.82Å; V357-F393 HydrophobicContact CB-CG 4.41Å; V357-F393 HydrophobicContact CB-CZ 3.85Å; V357-F393 HydrophobicContact CG1-CE1 3.93Å; V357-F393 HydrophobicContact CG1-CE2 4.18Å; V357-F393 HydrophobicContact CG1-CZ 3.7Å; V357-F393 HydrophobicContact CG2-CD2 3.95Å; V357-F393 HydrophobicContact CG2-CE2 3.47Å; V357-F393 VanDerWaalsContact CG2-CE2 3.47Å; V357-F393 HydrophobicContact CG2-CZ 3.86Å; V357-F393 PolarHBondContact N-O 2.83Å; Q391-F393 VanDerWaalsContact C-N 3.3Å; Q391-F393 PolarHBondContact O-N 2.73Å
394Y93.7Very high84.6Confident30 Ų3068.2 Ų68.212%0.11834%0.34CS..EExtended strand (participates in β ladder)trans-115.4147.3170.8-73.7-100.5000110.9V344 A345 K348 T355 P356 Q391V344-Y394 WeakPolarHBondContact CB-O 2.99Å; A345-Y394 PolarHBondContact N-O 2.82Å; A345-Y394 PolarHBondContact O-N 2.9Å; K348-Y394 HydrophobicContact CB-CD1 4.18Å; K348-Y394 HydrophobicContact CB-CE1 3.58Å; K348-Y394 HydrophobicContact CB-CE2 4.22Å; K348-Y394 HydrophobicContact CG-CD1 4.38Å; K348-Y394 HydrophobicContact CG-CE1 3.82Å; T355-Y394 CarbonylContact O-C 3.56Å; T355-Y394 WeakPolarHBondContact O-CA 3.2Å; P356-Y394 HydrophobicContact CB-CD1 4.1Å; P356-Y394 HydrophobicContact CB-CE1 3.67Å; P356-Y394 HydrophobicContact CG-CE1 4.32Å; Q391-Y394 PolarHBondContact NE2-OH 2.63Å
395M94.9Very high84.8Confident0 Ų066.3 Ų66.30%034%0.337CS..EExtended strand (participates in β ladder)trans-130169.9176.963.7-176.5179.100110.2L264 F293 Y295 D354 T355 V357 K374L264-M395 HydrophobicContact CD2-SD 4.33Å; F293-M395 HydrophobicContact CD1-CE 3.73Å; F293-M395 HydrophobicContact CD1-SD 3.71Å; F293-M395 HydrophobicContact CD2-CE 4.12Å; F293-M395 HydrophobicContact CE1-CE 3.74Å; F293-M395 HydrophobicContact CE1-SD 3.92Å; F293-M395 HydrophobicContact CE2-CE 4.12Å; F293-M395 HydrophobicContact CG-CE 3.91Å; F293-M395 HydrophobicContact CG-SD 4.3Å; F293-M395 HydrophobicContact CZ-CE 3.93Å; F293-M395 WeakPolarHBondContact O-CE 3.47Å; Y295-M395 WeakPolarHBondContact O-CB 3.48Å; D354-M395 PolarHBondContact N-O 3.26Å; T355-M395 VanDerWaalsContact CB-O 3.28Å; T355-M395 WeakPolarHBondContact CB-O 3.37Å; T355-M395 HydrophobicContact CG2-CE 3.54Å; T355-M395 HydrophobicContact CG2-CG 3.99Å; T355-M395 PolarHBondContact N-O 3.16Å; T355-M395 PolarHBondContact O-N 3.36Å; V357-M395 HydrophobicContact CG2-CE 3.67Å; V357-M395 HydrophobicContact CG2-CG 3.99Å; V357-M395 HydrophobicContact CG2-SD 3.61Å; K374-M395 HydrophobicContact CB-CE 4.04Å
396W94.2Very high84.8Confident9 Ų958.4 Ų58.43%0.03431%0.306CS..BIsolated β-bridgetrans-94.8144.7179.7-59.5-101.9000111.2L261 Y295 L309 C351 A353 E398 I401L261-W396 HydrophobicContact CD1-CB 3.65Å; L261-W396 HydrophobicContact CD1-CD2 3.66Å; L261-W396 HydrophobicContact CD1-CE3 3.88Å; L261-W396 HydrophobicContact CD1-CG 3.54Å; Y295-W396 PolarHBondContact N-O 3.48Å; Y295-W396 PolarHBondContact O-N 3.25Å; L309-W396 HydrophobicContact CD1-CH2 3.78Å; L309-W396 HydrophobicContact CD1-CZ2 4.32Å; L309-W396 HydrophobicContact CD2-CH2 3.92Å; L309-W396 HydrophobicContact CD2-CZ2 4.17Å; C351-W396 HydrophobicContact CB-CZ2 3.94Å; C351-W396 PolarHBondContact O-NE1 2.99Å; A353-W396 HydrophobicContact CB-CD2 4.11Å; A353-W396 HydrophobicContact CB-CG 4.47Å; A353-W396 HydrophobicContact CB-CH2 4.48Å; A353-W396 HydrophobicContact CB-CZ2 3.89Å; W396-E398 WeakPolarHBondContact CB-O 3.36Å; W396-I401 HydrophobicContact CD2-CD1 4.32Å; W396-I401 HydrophobicContact CD2-CG1 4.47Å; W396-I401 HydrophobicContact CH2-CD1 4.05Å; W396-I401 HydrophobicContact CZ2-CD1 3.41Å; W396-I401 VanDerWaalsContact CZ2-CD1 3.41Å; W396-I401 HydrophobicContact CZ2-CG1 4.21Å
397K89.2Confident84.6Confident132 Ų13258.3 Ų58.357%0.57431%0.305SS*.SBendtrans-74.2-31169.5-69177.3-169.8142.30113.2Y295 D354 T355Y295-K397 WeakPolarHBondContact CD2-O 3.1Å; Y295-K397 WeakPolarHBondContact CE2-O 3.21Å; D354-K397 WeakPolarHBondContact OD1-CG 3.43Å; D354-K397 PolarHBondContact OD1-N 3.12Å; D354-K397 VanDerWaalsContact OD2-CD 3.26Å; D354-K397 WeakPolarHBondContact OD2-CD 3.2Å; D354-K397 WeakPolarHBondContact OD2-CE 3.49Å; D354-K397 IonicContact OD2-NZ 3.67Å; D354-K397 PolarHBondContact OD2-NZ 2.75Å; T355-K397 WeakPolarHBondContact OG1-CE 2.96Å; T355-K397 WeakPolarHBondContact OG1-CG 3.47Å
398E82.4Confident84.3Confident144 Ų14451.8 Ų51.867%0.67328%0.28SS*.SBendtrans-119.6160.5-172.3-63.8-174.9-173.900110.6Y295 W396 T400Y295-E398 WeakPolarHBondContact CD2-O 3.38Å; W396-E398 WeakPolarHBondContact CB-O 3.36Å; E398-T400 VanDerWaalsContact C-N 3.3Å; E398-T400 PolarHBondContact O-N 2.94Å
399G76.2Confident84.1Confident22 Ų2249.2 Ų49.223%0.22728%0.276CS..SBendtrans-85.219.1-165.800000116.2S260 L261S260-G399 WeakPolarHBondContact CA-O 3.47Å; L261-G399 PolarHBondContact N-O 3.26Å
400T71.9Confident83.9Confident76 Ų7647.6 Ų47.647%0.46626%0.264SS..EExtended strand (participates in β ladder)trans-141.7137.8-173.251.70000113.1K258 V259 E398K258-T400 HydrophobicContact CB-CG2 4.47Å; V259-T400 WeakPolarHBondContact O-CA 3Å; E398-T400 VanDerWaalsContact C-N 3.3Å; E398-T400 PolarHBondContact O-N 2.94Å
401I69.9Low83.5Confident4 Ų450.1 Ų50.12%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-107.1141.4162.7-60.9175.5000108.5K258 V259 L261 P302 T303 C306 C351 W396K258-I401 WeakPolarHBondContact CA-O 3.45Å; V259-I401 PolarHBondContact N-O 2.87Å; V259-I401 PolarHBondContact O-N 2.91Å; L261-I401 HydrophobicContact CD1-CD1 4.4Å; L261-I401 HydrophobicContact CD1-CG1 3.99Å; L261-I401 HydrophobicContact CD2-CD1 3.68Å; L261-I401 HydrophobicContact CD2-CG1 3.88Å; L261-I401 HydrophobicContact CG-CG1 4.22Å; P302-I401 HydrophobicContact CG-CD1 3.95Å; T303-I401 HydrophobicContact CG2-CG2 4.39Å; C306-I401 HydrophobicContact CB-CG2 3.76Å; C351-I401 HydrophobicContact CB-CD1 4.36Å; C351-I401 HydrophobicContact CB-CG2 4.31Å; W396-I401 HydrophobicContact CD2-CD1 4.32Å; W396-I401 HydrophobicContact CD2-CG1 4.47Å; W396-I401 HydrophobicContact CH2-CD1 4.05Å; W396-I401 HydrophobicContact CZ2-CD1 3.41Å; W396-I401 VanDerWaalsContact CZ2-CD1 3.41Å; W396-I401 HydrophobicContact CZ2-CG1 4.21Å
402S57.6Low83.1Confident92 Ų9249.5 Ų49.564%0.64327%0.271SS*.  trans-103.10173.259.60000111.7S305S305-S402 PolarHBondContact OG-O 2.85Å; S305-S402 PolarHBondContact OG-OXT 3.31Å

Retrieved 402 of 402 residues in 2330.7 ms (Link to these results)

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