A0A077ZM12_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZM12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 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
1M58.3Low79.7Confident184 Ų18477 Ų7791%0.90641%0.412SS*.  0-440-159.6115.9102.600111.2V3 A4 I5M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 2.89Å; M1-A4 WeakPolarHBondContact O-CB 3.2Å; M1-A4 PolarHBondContact O-N 3.18Å; M1-I5 HydrophobicContact CG-CD1 3.82Å; M1-I5 HydrophobicContact CG-CG1 4.3Å; M1-I5 PolarHBondContact O-N 3.15Å
2E76.4Confident80.2Confident145 Ų14575.8 Ų75.868%0.67840%0.402SS*.Hα-helixtrans-51.2-42.5-176.9-61.8179.7154.200114.4A4 I5 A6E2-A4 VanDerWaalsContact C-N 3.33Å; E2-A4 PolarHBondContact O-N 3Å; E2-I5 PolarHBondContact O-N 3.33Å; E2-A6 WeakPolarHBondContact O-CB 3.43Å; E2-A6 PolarHBondContact O-N 3.34Å
3V77.3Confident80.5Confident23 Ų2369.9 Ų69.914%0.13937%0.371CS..Hα-helixtrans-60.8-41.5177.8-179.80000112.3M1 Q7 I29 H34 L36 L53M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 2.89Å; V3-Q7 WeakPolarHBondContact O-CB 3.05Å; V3-Q7 VanDerWaalsContact O-CG 3.27Å; V3-Q7 WeakPolarHBondContact O-CG 3.27Å; V3-Q7 PolarHBondContact O-N 3.05Å; V3-I29 HydrophobicContact CG1-CD1 4.35Å; V3-I29 HydrophobicContact CG2-CD1 4.33Å; V3-H34 HydrophobicContact CB-CB 4.41Å; V3-H34 HydrophobicContact CG1-CB 4.1Å; V3-L36 HydrophobicContact CG1-CD2 4.36Å; V3-L53 HydrophobicContact CB-CD1 4.35Å; V3-L53 HydrophobicContact CG1-CD1 4.3Å; V3-L53 HydrophobicContact CG2-CD1 3.96Å
4A78.4Confident80.8Confident21 Ų2170.6 Ų70.617%0.17437%0.371CS..Hα-helixtrans-64.6-47.9179.700000111M1 E2 Q7 S8 H34M1-A4 WeakPolarHBondContact O-CB 3.2Å; M1-A4 PolarHBondContact O-N 3.18Å; E2-A4 VanDerWaalsContact C-N 3.33Å; E2-A4 PolarHBondContact O-N 3Å; A4-Q7 PolarHBondContact O-N 3.44Å; A4-S8 VanDerWaalsContact O-CB 3.31Å; A4-S8 WeakPolarHBondContact O-CB 3.46Å; A4-S8 PolarHBondContact O-N 2.93Å; A4-S8 PolarHBondContact O-OG 3.43Å; A4-H34 HydrophobicContact CB-CB 4.4Å; A4-H34 VanDerWaalsContact CB-CD2 3.46Å; A4-H34 WeakPolarHBondContact CB-CD2 3.37Å; A4-H34 VanDerWaalsContact CB-CE1 3.46Å; A4-H34 WeakPolarHBondContact CB-CE1 3.48Å; A4-H34 WeakPolarHBondContact CB-NE2 3.37Å
5I81.9Confident81.2Confident91 Ų9171.1 Ų71.147%0.46737%0.366SS..Hα-helixtrans-62.3-53.5-179.8-63.1171.8000108.8M1 E2 Q7 S8 T9M1-I5 HydrophobicContact CG-CD1 3.82Å; M1-I5 HydrophobicContact CG-CG1 4.3Å; M1-I5 PolarHBondContact O-N 3.15Å; E2-I5 PolarHBondContact O-N 3.33Å; I5-Q7 VanDerWaalsContact C-N 3.26Å; I5-Q7 PolarHBondContact O-N 2.99Å; I5-S8 WeakPolarHBondContact CA-OG 3.24Å; I5-S8 PolarHBondContact O-N 2.96Å; I5-S8 PolarHBondContact O-OG 3.34Å; I5-T9 HydrophobicContact CG2-CG2 4.43Å; I5-T9 PolarHBondContact O-N 3.39Å; I5-T9 PolarHBondContact O-OG1 3.11Å; I5-T9 VanDerWaalsContact O-OG1 3.08Å
6A82.3Confident81.3Confident10 Ų1066.6 Ų66.68%0.08334%0.343CS..Hα-helixtrans-56.5-38.7-179.500000112.5E2 T9 D10 P50 L53E2-A6 WeakPolarHBondContact O-CB 3.43Å; E2-A6 PolarHBondContact O-N 3.34Å; A6-T9 PolarHBondContact O-OG1 3.23Å; A6-D10 WeakPolarHBondContact O-CB 3.35Å; A6-D10 PolarHBondContact O-N 3.38Å; A6-P50 HydrophobicContact CB-CB 4.13Å; A6-L53 HydrophobicContact CB-CD1 4.47Å; A6-L53 HydrophobicContact CB-CD2 4.05Å; A6-L53 HydrophobicContact CB-CG 3.78Å
7Q83.4Confident81.4Confident16 Ų1667.2 Ų67.28%0.07534%0.342CS..Hα-helixtrans-75.1-34.7175.6-73.3-176.933.700113.9V3 A4 I5 T9 D10 L13 P35 W37 P50V3-Q7 WeakPolarHBondContact O-CB 3.05Å; V3-Q7 VanDerWaalsContact O-CG 3.27Å; V3-Q7 WeakPolarHBondContact O-CG 3.27Å; V3-Q7 PolarHBondContact O-N 3.05Å; A4-Q7 PolarHBondContact O-N 3.44Å; I5-Q7 VanDerWaalsContact C-N 3.26Å; I5-Q7 PolarHBondContact O-N 2.99Å; Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-D10 PolarHBondContact O-N 2.54Å; Q7-L13 HydrophobicContact CB-CD2 3.7Å; Q7-L13 HydrophobicContact CG-CD2 3.6Å; Q7-P35 PolarHBondContact NE2-O 2.86Å; Q7-W37 VanDerWaalsContact OE1-CD1 3.26Å; Q7-P50 HydrophobicContact CG-CB 4.26Å; Q7-P50 HydrophobicContact CG-CG 3.43Å; Q7-P50 VanDerWaalsContact CG-CG 3.43Å
8S82Confident81.7Confident82 Ų8271.8 Ų71.857%0.57336%0.362SS*.Hα-helixtrans-68.8-32.8179.666.70000112.2A4 I5 D10A4-S8 VanDerWaalsContact O-CB 3.31Å; A4-S8 WeakPolarHBondContact O-CB 3.46Å; A4-S8 PolarHBondContact O-N 2.93Å; A4-S8 PolarHBondContact O-OG 3.43Å; I5-S8 WeakPolarHBondContact CA-OG 3.24Å; I5-S8 PolarHBondContact O-N 2.96Å; I5-S8 PolarHBondContact O-OG 3.34Å; S8-D10 VanDerWaalsContact C-N 3.35Å
9T84.6Confident81.8Confident99 Ų9971.1 Ų71.161%0.60736%0.357SS*.THydrogen-bonded Turntrans-91.22.5178.5600000113.3I5 A6 Q7 E11I5-T9 HydrophobicContact CG2-CG2 4.43Å; I5-T9 PolarHBondContact O-N 3.39Å; I5-T9 PolarHBondContact O-OG1 3.11Å; I5-T9 VanDerWaalsContact O-OG1 3.08Å; A6-T9 PolarHBondContact O-OG1 3.23Å; Q7-T9 VanDerWaalsContact C-N 3.31Å; T9-E11 PolarHBondContact O-N 3.25Å
10D85.9Confident81.7Confident7 Ų773.9 Ų73.94%0.03738%0.384CS..  trans-96.695.2-176.5-172.7-27.3000109.9A6 Q7 S8 E12 L13 Q14 Y48 P50 A51A6-D10 WeakPolarHBondContact O-CB 3.35Å; A6-D10 PolarHBondContact O-N 3.38Å; Q7-D10 PolarHBondContact O-N 2.54Å; S8-D10 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 2.93Å; D10-E12 WeakPolarHBondContact OD1-CA 3.49Å; D10-E12 WeakPolarHBondContact OD1-CB 3.39Å; D10-E12 PolarHBondContact OD1-N 3.05Å; D10-L13 HydrophobicContact CB-CB 3.93Å; D10-L13 WeakPolarHBondContact O-CB 3.43Å; D10-L13 PolarHBondContact O-N 3.09Å; D10-L13 PolarHBondContact OD1-N 3.34Å; D10-Q14 PolarHBondContact O-N 2.72Å; D10-Y48 PolarHBondContact OD1-OH 3Å; D10-Y48 VanDerWaalsContact OD1-OH 3.05Å; D10-Y48 PolarHBondContact OD2-OH 3.03Å; D10-P50 HydrophobicContact CB-CB 4.45Å; D10-P50 WeakPolarHBondContact OD2-CA 3.13Å; D10-P50 WeakPolarHBondContact OD2-CB 3.36Å; D10-A51 PolarHBondContact OD2-N 3.29Å
11E85.7Confident81.8Confident169 Ų16973.6 Ų73.679%0.7939%0.388SS*.Hα-helixtrans-63.6-31.2176.8-61.3-175.6115.300112T9 L13 Q14 W15T9-E11 PolarHBondContact O-N 3.25Å; E11-L13 VanDerWaalsContact C-N 3.32Å; E11-L13 PolarHBondContact O-N 3.47Å; E11-Q14 PolarHBondContact O-N 3.06Å; E11-W15 PolarHBondContact O-N 3.24Å
12E85.8Confident83Confident62 Ų6265.5 Ų65.529%0.2935%0.349SS..Hα-helixtrans-64.5-38.3176.6-64.4-177.3143.900111.1D10 A16 Y48 F83D10-E12 PolarHBondContact O-N 2.93Å; D10-E12 WeakPolarHBondContact OD1-CA 3.49Å; D10-E12 WeakPolarHBondContact OD1-CB 3.39Å; D10-E12 PolarHBondContact OD1-N 3.05Å; E12-A16 WeakPolarHBondContact O-CB 3.43Å; E12-A16 PolarHBondContact O-N 3.17Å; E12-Y48 WeakPolarHBondContact CB-OH 3.03Å; E12-F83 HydrophobicContact CB-CB 3.77Å; E12-F83 HydrophobicContact CB-CD1 3.99Å; E12-F83 HydrophobicContact CB-CD2 3.4Å; E12-F83 HydrophobicContact CB-CE1 4.32Å; E12-F83 HydrophobicContact CB-CE2 3.75Å; E12-F83 HydrophobicContact CB-CG 3.48Å; E12-F83 VanDerWaalsContact CB-CG 3.48Å; E12-F83 HydrophobicContact CB-CZ 4.22Å; E12-F83 VanDerWaalsContact CD-CD1 3.4Å; E12-F83 VanDerWaalsContact CD-CG 3.5Å; E12-F83 HydrophobicContact CG-CB 3.97Å; E12-F83 HydrophobicContact CG-CD1 3.57Å; E12-F83 HydrophobicContact CG-CD2 3.97Å; E12-F83 HydrophobicContact CG-CE1 3.85Å; E12-F83 HydrophobicContact CG-CE2 4.19Å; E12-F83 HydrophobicContact CG-CG 3.6Å; E12-F83 HydrophobicContact CG-CZ 4.15Å; E12-F83 WeakPolarHBondContact O-CE2 3.46Å; E12-F83 WeakPolarHBondContact OE1-CD1 3.46Å; E12-F83 WeakPolarHBondContact OE2-CB 3.31Å
13L84.6Confident83.5Confident0 Ų065.2 Ų65.20%035%0.345CS..Hα-helixtrans-68.3-39.4173.617954.2000112.2Q7 D10 E11 A16 K17 L24 W37 Y48Q7-L13 HydrophobicContact CB-CD2 3.7Å; Q7-L13 HydrophobicContact CG-CD2 3.6Å; D10-L13 HydrophobicContact CB-CB 3.93Å; D10-L13 WeakPolarHBondContact O-CB 3.43Å; D10-L13 PolarHBondContact O-N 3.09Å; D10-L13 PolarHBondContact OD1-N 3.34Å; E11-L13 VanDerWaalsContact C-N 3.32Å; E11-L13 PolarHBondContact O-N 3.47Å; L13-A16 PolarHBondContact O-N 3.11Å; L13-K17 HydrophobicContact CD1-CG 4.4Å; L13-K17 HydrophobicContact CG-CD 4.49Å; L13-K17 WeakPolarHBondContact O-CG 3.18Å; L13-K17 PolarHBondContact O-N 3.17Å; L13-L24 HydrophobicContact CD1-CD1 4.2Å; L13-W37 HydrophobicContact CD1-CB 4.05Å; L13-W37 HydrophobicContact CD1-CG 3.78Å; L13-W37 HydrophobicContact CD2-CG 4.49Å; L13-Y48 HydrophobicContact CB-CD1 4.4Å; L13-Y48 HydrophobicContact CB-CE1 3.61Å; L13-Y48 HydrophobicContact CD1-CD1 3.65Å; L13-Y48 HydrophobicContact CD1-CE1 3.76Å; L13-Y48 HydrophobicContact CD1-CG 4.37Å; L13-Y48 HydrophobicContact CD2-CD1 4.45Å; L13-Y48 HydrophobicContact CD2-CE1 4.21Å; L13-Y48 HydrophobicContact CG-CD1 4.36Å; L13-Y48 HydrophobicContact CG-CE1 4.04Å; L13-Y48 PolarHBondContact N-OH 3.42Å
14Q84.9Confident84Confident80 Ų8065.3 Ų65.337%0.37435%0.345SS..Hα-helixtrans-63.6-46.8176.5-61.7-58.3-17.900110.5D10 E11 A16 K17 E18D10-Q14 PolarHBondContact O-N 2.72Å; E11-Q14 PolarHBondContact O-N 3.06Å; Q14-A16 VanDerWaalsContact C-N 3.26Å; Q14-A16 PolarHBondContact O-N 2.76Å; Q14-K17 PolarHBondContact O-N 3.18Å; Q14-K17 VanDerWaalsContact O-N 3.13Å; Q14-E18 WeakPolarHBondContact O-CG 3.39Å; Q14-E18 PolarHBondContact O-N 3.11Å; Q14-E18 VanDerWaalsContact O-N 3.16Å
15W86.8Confident84.5Confident77 Ų7767.8 Ų67.829%0.29235%0.354SS..Hα-helixtrans-53.9-45.5172.8179.489.1000111.8E11 K17 E18 Q19 L22 F83 R87E11-W15 PolarHBondContact O-N 3.24Å; W15-K17 VanDerWaalsContact C-N 3.3Å; W15-K17 PolarHBondContact O-N 2.88Å; W15-E18 PolarHBondContact O-N 3.06Å; W15-E18 VanDerWaalsContact O-N 3.11Å; W15-Q19 HydrophobicContact CD2-CG 3.81Å; W15-Q19 VanDerWaalsContact CE2-CD 3.47Å; W15-Q19 VanDerWaalsContact CE2-NE2 3.27Å; W15-Q19 HydrophobicContact CE3-CG 3.59Å; W15-Q19 HydrophobicContact CH2-CG 3.43Å; W15-Q19 VanDerWaalsContact CH2-CG 3.43Å; W15-Q19 HydrophobicContact CZ2-CG 3.59Å; W15-Q19 HydrophobicContact CZ3-CG 3.43Å; W15-Q19 VanDerWaalsContact CZ3-CG 3.43Å; W15-Q19 WeakPolarHBondContact O-CG 3.37Å; W15-Q19 PolarHBondContact O-N 2.87Å; W15-Q19 VanDerWaalsContact O-N 3.11Å; W15-Q19 PolarHBondContact O-NE2 3.31Å; W15-L22 HydrophobicContact CZ3-CD1 4.16Å; W15-F83 HydrophobicContact CB-CE2 4.19Å; W15-F83 AromaticContact CD2-CE2 3.74Å; W15-F83 HydrophobicContact CD2-CE2 3.74Å; W15-F83 HydrophobicContact CD2-CZ 4.04Å; W15-F83 HydrophobicContact CE3-CD2 4.18Å; W15-F83 AromaticContact CE3-CE2 3.28Å; W15-F83 HydrophobicContact CE3-CE2 3.28Å; W15-F83 AromaticContact CE3-CZ 3.98Å; W15-F83 HydrophobicContact CE3-CZ 3.98Å; W15-F83 HydrophobicContact CG-CE2 4.15Å; W15-F83 HydrophobicContact CG-CZ 4.32Å; W15-F83 AromaticContact CZ3-CE2 3.9Å; W15-F83 HydrophobicContact CZ3-CE2 3.9Å; W15-R87 HydrophobicContact CH2-CG 3.81Å; W15-R87 HydrophobicContact CZ2-CG 4.46Å; W15-R87 HydrophobicContact CZ3-CG 3.88Å
16A82.8Confident84.8Confident0 Ų067.3 Ų67.30%036%0.357CS..Hα-helixtrans-66.4-30-177.700000113.4E12 L13 Q14 E18 L22 L24 L86E12-A16 WeakPolarHBondContact O-CB 3.43Å; E12-A16 PolarHBondContact O-N 3.17Å; L13-A16 PolarHBondContact O-N 3.11Å; Q14-A16 VanDerWaalsContact C-N 3.26Å; Q14-A16 PolarHBondContact O-N 2.76Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-L22 HydrophobicContact CB-CD1 3.93Å; A16-L24 HydrophobicContact CB-CD1 3.79Å; A16-L86 HydrophobicContact CB-CD1 3.73Å
17K83.5Confident84.9Confident76 Ų7669.9 Ų69.933%0.3337%0.367SS..Hα-helixtrans-72.9-29.2173.4-71.9169.7179.6175.20112.8L13 Q14 W15 L24 W37L13-K17 HydrophobicContact CD1-CG 4.4Å; L13-K17 HydrophobicContact CG-CD 4.49Å; L13-K17 WeakPolarHBondContact O-CG 3.18Å; L13-K17 PolarHBondContact O-N 3.17Å; Q14-K17 PolarHBondContact O-N 3.18Å; Q14-K17 VanDerWaalsContact O-N 3.13Å; W15-K17 VanDerWaalsContact C-N 3.3Å; W15-K17 PolarHBondContact O-N 2.88Å; K17-L24 HydrophobicContact CG-CD1 3.96Å; K17-W37 HydrophobicContact CD-CZ2 4.43Å
18E86.3Confident85Confident151 Ų15173.9 Ų73.971%0.70640%0.395SS*.Hα-helixtrans-82-16.7178.2-67.7174.8178.100112.5Q14 W15 A16 S20Q14-E18 WeakPolarHBondContact O-CG 3.39Å; Q14-E18 PolarHBondContact O-N 3.11Å; Q14-E18 VanDerWaalsContact O-N 3.16Å; W15-E18 PolarHBondContact O-N 3.06Å; W15-E18 VanDerWaalsContact O-N 3.11Å; A16-E18 VanDerWaalsContact C-N 3.35Å; E18-S20 PolarHBondContact O-N 3.11Å
19Q82.9Confident84.7Confident57 Ų5772.9 Ų72.927%0.26638%0.382SS..  trans-73.2117.8175.7-66.9-43-68.500111.9W15 S21 L22W15-Q19 HydrophobicContact CD2-CG 3.81Å; W15-Q19 VanDerWaalsContact CE2-CD 3.47Å; W15-Q19 VanDerWaalsContact CE2-NE2 3.27Å; W15-Q19 HydrophobicContact CE3-CG 3.59Å; W15-Q19 HydrophobicContact CH2-CG 3.43Å; W15-Q19 VanDerWaalsContact CH2-CG 3.43Å; W15-Q19 HydrophobicContact CZ2-CG 3.59Å; W15-Q19 HydrophobicContact CZ3-CG 3.43Å; W15-Q19 VanDerWaalsContact CZ3-CG 3.43Å; W15-Q19 WeakPolarHBondContact O-CG 3.37Å; W15-Q19 PolarHBondContact O-N 2.87Å; W15-Q19 VanDerWaalsContact O-N 3.11Å; W15-Q19 PolarHBondContact O-NE2 3.31Å; Q19-S21 VanDerWaalsContact C-N 3.26Å; Q19-S21 PolarHBondContact O-N 2.79Å; Q19-L22 HydrophobicContact CB-CB 4.08Å; Q19-L22 HydrophobicContact CB-CD1 3.91Å; Q19-L22 HydrophobicContact CB-CG 3.88Å; Q19-L22 HydrophobicContact CG-CD1 4.15Å; Q19-L22 PolarHBondContact O-N 2.97Å; Q19-L22 VanDerWaalsContact O-N 3.09Å
20S79.7Confident84.4Confident127 Ų12778.4 Ų78.489%0.88840%0.398SS*.THydrogen-bonded Turntrans-68.4-22.6176.757.70000113.9E18 L22E18-S20 PolarHBondContact O-N 3.11Å; S20-L22 VanDerWaalsContact C-N 3.25Å
21S83.5Confident83.9Confident68 Ų6882.3 Ų82.348%0.47644%0.44SS..THydrogen-bonded Turntrans-71.3-22.2172.656.50000112.5Q19 S41Q19-S21 VanDerWaalsContact C-N 3.26Å; Q19-S21 PolarHBondContact O-N 2.79Å; S21-S41 PolarHBondContact O-OG 3.17Å
22L84.5Confident83.4Confident15 Ų1576 Ų768%0.07942%0.415CS..  trans-98.1120.3-176.6-61.4-179.3000111.9W15 A16 Q19 S20 L24 S41 L86 Q89W15-L22 HydrophobicContact CZ3-CD1 4.16Å; A16-L22 HydrophobicContact CB-CD1 3.93Å; Q19-L22 HydrophobicContact CB-CB 4.08Å; Q19-L22 HydrophobicContact CB-CD1 3.91Å; Q19-L22 HydrophobicContact CB-CG 3.88Å; Q19-L22 HydrophobicContact CG-CD1 4.15Å; Q19-L22 PolarHBondContact O-N 2.97Å; Q19-L22 VanDerWaalsContact O-N 3.09Å; S20-L22 VanDerWaalsContact C-N 3.25Å; L22-L24 PolarHBondContact O-N 2.66Å; L22-S41 VanDerWaalsContact CA-OG 3.27Å; L22-S41 WeakPolarHBondContact CA-OG 3.1Å; L22-L86 HydrophobicContact CD1-CB 4.17Å; L22-L86 HydrophobicContact CD1-CD1 4.42Å; L22-L86 HydrophobicContact CD1-CD2 4.19Å; L22-L86 HydrophobicContact CD2-CD2 4.18Å; L22-Q89 HydrophobicContact CD2-CB 4.25Å
23K86.5Confident83.1Confident139 Ų13984.6 Ų84.660%0.60444%0.444SS*.  trans-93.185169.5-61.5-178.6-177.5176.20109.1V40 S41K23-V40 HydrophobicContact CB-CG2 3.76Å; K23-V40 WeakPolarHBondContact O-CG2 3.36Å; K23-V40 PolarHBondContact O-N 3.37Å; K23-S41 PolarHBondContact N-OG 3.44Å
24L87.4Confident83.1Confident25 Ų2588.6 Ų88.613%0.13146%0.463CS..EExtended strand (participates in β ladder)trans-88.4121.6171.4-65.6-179.4000110.4L13 A16 K17 L22 W37 K38 N39L13-L24 HydrophobicContact CD1-CD1 4.2Å; A16-L24 HydrophobicContact CB-CD1 3.79Å; K17-L24 HydrophobicContact CG-CD1 3.96Å; L22-L24 PolarHBondContact O-N 2.66Å; L24-W37 HydrophobicContact CB-CE3 3.9Å; L24-W37 HydrophobicContact CD2-CB 4.42Å; L24-K38 WeakPolarHBondContact CA-O 3.38Å; L24-N39 HydrophobicContact CD2-CB 3.76Å
25I89.3Confident83.1Confident73 Ų7386.6 Ų86.637%0.37446%0.457SS..EExtended strand (participates in β ladder)trans-112.2145.1173.264173.3000110.6E27 K38 V40I25-E27 PolarHBondContact O-N 3.11Å; I25-K38 HydrophobicContact CG1-CB 4.03Å; I25-K38 PolarHBondContact N-O 3.07Å; I25-K38 PolarHBondContact O-N 3.35Å; I25-V40 HydrophobicContact CD1-CG1 3.72Å; I25-V40 HydrophobicContact CG1-CG1 4.01Å; I25-V40 HydrophobicContact CG2-CG2 4.24Å
26P89Confident83.1Confident80 Ų8084.1 Ų84.152%0.51945%0.449SS..EExtended strand (participates in β ladder)trans-71.6119.1173.728.1-32.5000110.6P35 L36P26-P35 HydrophobicContact CB-CB 3.74Å; P26-P35 HydrophobicContact CB-CG 3.6Å; P26-L36 CarbonylContact C-O 3.55Å
27E85Confident83.2Confident64 Ų6486.5 Ų86.530%0.29946%0.458SS..EExtended strand (participates in β ladder)trans-98.8116.3172.5-176.174.2-127.400109.1I25 P35 L36 K38I25-E27 PolarHBondContact O-N 3.11Å; E27-P35 CarbonylContact O-C 3.51Å; E27-P35 VanDerWaalsContact O-CA 3.22Å; E27-P35 WeakPolarHBondContact O-CA 3.2Å; E27-P35 WeakPolarHBondContact O-CB 3.42Å; E27-L36 PolarHBondContact N-O 2.82Å; E27-L36 PolarHBondContact O-N 3.32Å; E27-K38 HydrophobicContact CB-CB 4.11Å; E27-K38 HydrophobicContact CB-CD 4.42Å; E27-K38 HydrophobicContact CG-CD 4.48Å; E27-K38 WeakPolarHBondContact OE2-CD 3.4Å; E27-K38 IonicContact OE2-NZ 2.79Å; E27-K38 PolarHBondContact OE2-NZ 2.86Å
28P84.1Confident83.4Confident101 Ų10185.3 Ų85.366%0.65645%0.453SS*.PPolyproline II helixtrans-67.8136.7-178.227.5-33.2000111.3
29I76.7Confident83.4Confident60 Ų6078.1 Ų78.131%0.30842%0.419SS..  trans-105129.2173.3-50.2163.2000108.6V3 G31 S32 L36V3-I29 HydrophobicContact CG1-CD1 4.35Å; V3-I29 HydrophobicContact CG2-CD1 4.33Å; I29-G31 PolarHBondContact O-N 3.49Å; I29-S32 PolarHBondContact O-N 2.98Å; I29-L36 HydrophobicContact CD1-CB 4.28Å; I29-L36 HydrophobicContact CD1-CD1 3.61Å; I29-L36 HydrophobicContact CD1-CD2 4.5Å; I29-L36 HydrophobicContact CD1-CG 3.46Å; I29-L36 VanDerWaalsContact CD1-CG 3.46Å; I29-L36 HydrophobicContact CG1-CB 4.46Å; I29-L36 HydrophobicContact CG1-CD1 4.05Å; I29-L36 HydrophobicContact CG1-CG 4.08Å
30K77.9Confident83.6Confident215 Ų21577.8 Ų77.894%0.93542%0.421SS*.THydrogen-bonded Turntrans-56.7123.5174.6-171.2176.1-179.5-179.90110.2S32K30-S32 VanDerWaalsContact C-N 3.34Å
31G74.8Confident83.8Confident89 Ų8973.6 Ų73.692%0.91839%0.392SS*.THydrogen-bonded Turntrans84.8-3.318000000115.4I29I29-G31 PolarHBondContact O-N 3.49Å
32S75.8Confident83.4Confident38 Ų3872.5 Ų72.527%0.26638%0.384SS..  trans-106.1139.7172.6-1740000110.9I29 K30 H34I29-S32 PolarHBondContact O-N 2.98Å; K30-S32 VanDerWaalsContact C-N 3.34Å; S32-H34 WeakPolarHBondContact CB-O 3.48Å; S32-H34 PolarHBondContact OG-N 2.79Å; S32-H34 PolarHBondContact OG-O 2.87Å
33R80.2Confident83Confident242 Ų24276.2 Ų76.291%0.91343%0.426SS*.SBendtrans-77.5-12.4166.6-65.2-174.4-178178.30.6112.8
34H82.6Confident82.7Confident83 Ų8373.8 Ų73.838%0.38442%0.42SS..SBendtrans-113.3121.2-176.8-59.5-85.7000109.4V3 A4 S32V3-H34 HydrophobicContact CB-CB 4.41Å; V3-H34 HydrophobicContact CG1-CB 4.1Å; A4-H34 HydrophobicContact CB-CB 4.4Å; A4-H34 VanDerWaalsContact CB-CD2 3.46Å; A4-H34 WeakPolarHBondContact CB-CD2 3.37Å; A4-H34 VanDerWaalsContact CB-CE1 3.46Å; A4-H34 WeakPolarHBondContact CB-CE1 3.48Å; A4-H34 WeakPolarHBondContact CB-NE2 3.37Å; S32-H34 WeakPolarHBondContact CB-O 3.48Å; S32-H34 PolarHBondContact OG-N 2.79Å; S32-H34 PolarHBondContact OG-O 2.87Å
35P85.6Confident82.4Confident39 Ų3975.5 Ų75.525%0.25343%0.433SS..PPolyproline II helixtrans-70.4160.717731.7-35.2000110.4Q7 P26 E27Q7-P35 PolarHBondContact NE2-O 2.86Å; P26-P35 HydrophobicContact CB-CB 3.74Å; P26-P35 HydrophobicContact CB-CG 3.6Å; E27-P35 CarbonylContact O-C 3.51Å; E27-P35 VanDerWaalsContact O-CA 3.22Å; E27-P35 WeakPolarHBondContact O-CA 3.2Å; E27-P35 WeakPolarHBondContact O-CB 3.42Å
36L86.1Confident82.2Confident24 Ų2474.9 Ų74.913%0.12643%0.425CS..EExtended strand (participates in β ladder)trans-87.1162.1160.2-79.2165.8000109.7V3 P26 E27 I29 I47 P50 L53V3-L36 HydrophobicContact CG1-CD2 4.36Å; P26-L36 CarbonylContact C-O 3.55Å; E27-L36 PolarHBondContact N-O 2.82Å; E27-L36 PolarHBondContact O-N 3.32Å; I29-L36 HydrophobicContact CD1-CB 4.28Å; I29-L36 HydrophobicContact CD1-CD1 3.61Å; I29-L36 HydrophobicContact CD1-CD2 4.5Å; I29-L36 HydrophobicContact CD1-CG 3.46Å; I29-L36 VanDerWaalsContact CD1-CG 3.46Å; I29-L36 HydrophobicContact CG1-CB 4.46Å; I29-L36 HydrophobicContact CG1-CD1 4.05Å; I29-L36 HydrophobicContact CG1-CG 4.08Å; L36-I47 HydrophobicContact CB-CG2 3.77Å; L36-I47 HydrophobicContact CD1-CG2 3.82Å; L36-I47 HydrophobicContact CG-CG2 4.28Å; L36-P50 HydrophobicContact CD2-CG 4.24Å; L36-L53 HydrophobicContact CD2-CD1 4.19Å
37W86.6Confident82.1Confident51 Ų5173.5 Ų73.519%0.19341%0.413CS..EExtended strand (participates in β ladder)trans-94.7129.6176.2-64.388.6000109Q7 L13 K17 L24 I47 Y48Q7-W37 VanDerWaalsContact OE1-CD1 3.26Å; L13-W37 HydrophobicContact CD1-CB 4.05Å; L13-W37 HydrophobicContact CD1-CG 3.78Å; L13-W37 HydrophobicContact CD2-CG 4.49Å; K17-W37 HydrophobicContact CD-CZ2 4.43Å; L24-W37 HydrophobicContact CB-CE3 3.9Å; L24-W37 HydrophobicContact CD2-CB 4.42Å; W37-I47 CarbonylContact O-C 3.51Å; W37-Y48 WeakPolarHBondContact O-CA 3.46Å; W37-Y48 WeakPolarHBondContact O-CB 3.47Å; W37-Y48 PolarHBondContact O-N 3.27Å
38K87.2Confident82Confident50 Ų5070.5 Ų70.522%0.21740%0.399CS..EExtended strand (participates in β ladder)trans-113122.2177.5179.7176.1179-179.30108.7L24 I25 E27 V40 P45 R46L24-K38 WeakPolarHBondContact CA-O 3.38Å; I25-K38 HydrophobicContact CG1-CB 4.03Å; I25-K38 PolarHBondContact N-O 3.07Å; I25-K38 PolarHBondContact O-N 3.35Å; E27-K38 HydrophobicContact CB-CB 4.11Å; E27-K38 HydrophobicContact CB-CD 4.42Å; E27-K38 HydrophobicContact CG-CD 4.48Å; E27-K38 WeakPolarHBondContact OE2-CD 3.4Å; E27-K38 IonicContact OE2-NZ 2.79Å; E27-K38 PolarHBondContact OE2-NZ 2.86Å; K38-V40 HydrophobicContact CD-CG1 4.45Å; K38-V40 HydrophobicContact CG-CG1 4.09Å; K38-P45 HydrophobicContact CG-CB 4.39Å; K38-R46 CarbonylContact C-O 3.58Å; K38-R46 WeakPolarHBondContact CA-O 3.38Å
39N85.9Confident82Confident0 Ų066 Ų660%037%0.37CS..EExtended strand (participates in β ladder)trans-80.3121172.9-177.44.1000109.2L24 S41 P45 R46 L81 L86 Q89L24-N39 HydrophobicContact CD2-CB 3.76Å; N39-S41 WeakPolarHBondContact OD1-CB 3.39Å; N39-S41 PolarHBondContact OD1-N 2.72Å; N39-S41 PolarHBondContact OD1-OG 2.96Å; N39-P45 CarbonylContact O-C 3.57Å; N39-P45 VanDerWaalsContact O-CA 3.24Å; N39-P45 WeakPolarHBondContact O-CA 3.43Å; N39-R46 PolarHBondContact N-O 3.36Å; N39-R46 PolarHBondContact O-N 3.04Å; N39-L81 HydrophobicContact CB-CD1 3.8Å; N39-L86 HydrophobicContact CB-CD2 3.97Å; N39-L86 WeakPolarHBondContact ND2-CD2 3.34Å; N39-Q89 PolarHBondContact ND2-NE2 3.4Å; N39-Q89 VanDerWaalsContact ND2-NE2 3.11Å; N39-Q89 PolarHBondContact ND2-OE1 3Å
40V86.9Confident82.3Confident50 Ų5063.2 Ų63.230%0.30336%0.355SS..  trans-117.115.3175.2-56.30000112.4K23 I25 K38 S42 P45K23-V40 HydrophobicContact CB-CG2 3.76Å; K23-V40 WeakPolarHBondContact O-CG2 3.36Å; K23-V40 PolarHBondContact O-N 3.37Å; I25-V40 HydrophobicContact CD1-CG1 3.72Å; I25-V40 HydrophobicContact CG1-CG1 4.01Å; I25-V40 HydrophobicContact CG2-CG2 4.24Å; K38-V40 HydrophobicContact CD-CG1 4.45Å; K38-V40 HydrophobicContact CG-CG1 4.09Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-P45 HydrophobicContact CG1-CB 3.87Å
41S84.1Confident82.4Confident40 Ų4054.6 Ų54.628%0.2832%0.324SS..SBendtrans-64.9-40.2-179.4-42.40000111.6S21 L22 K23 N39S21-S41 PolarHBondContact O-OG 3.17Å; L22-S41 VanDerWaalsContact CA-OG 3.27Å; L22-S41 WeakPolarHBondContact CA-OG 3.1Å; K23-S41 PolarHBondContact N-OG 3.44Å; N39-S41 WeakPolarHBondContact OD1-CB 3.39Å; N39-S41 PolarHBondContact OD1-N 2.72Å; N39-S41 PolarHBondContact OD1-OG 2.96Å
42S74.4Confident82.5Confident44 Ų4452.8 Ų52.831%0.30831%0.305SS..SBendtrans-92.2154.6172.848.40000110.4V40 N44 Q89V40-S42 VanDerWaalsContact C-N 3.32Å; S42-N44 PolarHBondContact O-N 3.39Å; S42-Q89 PolarHBondContact OG-OE1 3.05Å
43G77Confident82.7Confident93 Ų9351.8 Ų51.896%0.95930%0.297SS*.SBendtrans-61.8-1.4179.100000115.2
44N80.7Confident82.6Confident88 Ų8845 Ų4547%0.47127%0.271SS..SBendtrans-119.1100.8172.9-173.67.5000109.9S42 R46S42-N44 PolarHBondContact O-N 3.39Å; N44-R46 PolarHBondContact O-N 3.13Å
45P81.4Confident82.1Confident62 Ų6244.6 Ų44.640%0.40328%0.276SS..  trans-75127.8-172.631.7-36.1000111.3K38 N39 V40K38-P45 HydrophobicContact CG-CB 4.39Å; N39-P45 CarbonylContact O-C 3.57Å; N39-P45 VanDerWaalsContact O-CA 3.24Å; N39-P45 WeakPolarHBondContact O-CA 3.43Å; V40-P45 HydrophobicContact CG1-CB 3.87Å
46R84.8Confident81.5Confident59 Ų5946 Ų4622%0.22329%0.287CS..EExtended strand (participates in β ladder)trans-130.8146.1-175.8-66.9178.1178-155.19.1111.7K38 N39 N44 Y48 Q77 R79 L81 E85K38-R46 CarbonylContact C-O 3.58Å; K38-R46 WeakPolarHBondContact CA-O 3.38Å; N39-R46 PolarHBondContact N-O 3.36Å; N39-R46 PolarHBondContact O-N 3.04Å; N44-R46 PolarHBondContact O-N 3.13Å; R46-Y48 PolarHBondContact O-N 3.29Å; R46-Q77 PolarHBondContact NH1-O 3.22Å; R46-R79 WeakPolarHBondContact CA-O 3.19Å; R46-L81 HydrophobicContact CB-CB 4.44Å; R46-L81 HydrophobicContact CB-CD1 3.51Å; R46-L81 HydrophobicContact CB-CD2 4.45Å; R46-L81 HydrophobicContact CB-CG 3.48Å; R46-L81 VanDerWaalsContact CB-CG 3.48Å; R46-L81 VanDerWaalsContact CD-CD2 3.48Å; R46-L81 VanDerWaalsContact CD-CG 3.43Å; R46-L81 HydrophobicContact CG-CD1 4.32Å; R46-L81 HydrophobicContact CG-CG 4.14Å; R46-E85 IonicContact NH1-OE1 3.05Å; R46-E85 PolarHBondContact NH1-OE1 3.48Å
47I85.6Confident80.9Confident51 Ų5147 Ų4726%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-83.3119-178.3-60.5176.5000108.9L36 W37 L49 R79 T80 L81L36-I47 HydrophobicContact CB-CG2 3.77Å; L36-I47 HydrophobicContact CD1-CG2 3.82Å; L36-I47 HydrophobicContact CG-CG2 4.28Å; W37-I47 CarbonylContact O-C 3.51Å; I47-L49 PolarHBondContact O-N 2.8Å; I47-R79 PolarHBondContact N-O 3.42Å; I47-T80 CarbonylContact O-C 3.58Å; I47-T80 WeakPolarHBondContact O-CA 3.47Å; I47-L81 PolarHBondContact O-N 3.37Å
48Y84.8Confident80Confident1 Ų149.7 Ų49.70%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-65.2124.6167.1178-95.8000109.4D10 E12 L13 W37 R46 P50 L81 F83 L86D10-Y48 PolarHBondContact OD1-OH 3Å; D10-Y48 VanDerWaalsContact OD1-OH 3.05Å; D10-Y48 PolarHBondContact OD2-OH 3.03Å; E12-Y48 WeakPolarHBondContact CB-OH 3.03Å; L13-Y48 HydrophobicContact CB-CD1 4.4Å; L13-Y48 HydrophobicContact CB-CE1 3.61Å; L13-Y48 HydrophobicContact CD1-CD1 3.65Å; L13-Y48 HydrophobicContact CD1-CE1 3.76Å; L13-Y48 HydrophobicContact CD1-CG 4.37Å; L13-Y48 HydrophobicContact CD2-CD1 4.45Å; L13-Y48 HydrophobicContact CD2-CE1 4.21Å; L13-Y48 HydrophobicContact CG-CD1 4.36Å; L13-Y48 HydrophobicContact CG-CE1 4.04Å; L13-Y48 PolarHBondContact N-OH 3.42Å; W37-Y48 WeakPolarHBondContact O-CA 3.46Å; W37-Y48 WeakPolarHBondContact O-CB 3.47Å; W37-Y48 PolarHBondContact O-N 3.27Å; R46-Y48 PolarHBondContact O-N 3.29Å; Y48-P50 HydrophobicContact CD1-CG 4.45Å; Y48-P50 HydrophobicContact CE1-CB 4.47Å; Y48-P50 HydrophobicContact CE1-CG 4.31Å; Y48-L81 WeakPolarHBondContact CA-O 3.16Å; Y48-F83 HydrophobicContact CE2-CB 4.31Å; Y48-L86 HydrophobicContact CD2-CD1 3.23Å; Y48-L86 HydrophobicContact CD2-CG 4.16Å; Y48-L86 HydrophobicContact CE2-CD1 3.6Å; Y48-L86 HydrophobicContact CG-CD1 4.15Å
49L82.6Confident78.9Confident8 Ų856.3 Ų56.34%0.04233%0.331CS..PPolyproline II helixtrans-102.4118.9174-97115.9000111.7I47 L53 R54 V57 Y76 T80 L81I47-L49 PolarHBondContact O-N 2.8Å; L49-L53 HydrophobicContact CD2-CB 4.19Å; L49-R54 HydrophobicContact CB-CG 4.38Å; L49-V57 HydrophobicContact CD2-CB 3.8Å; L49-V57 HydrophobicContact CD2-CG1 4.16Å; L49-V57 HydrophobicContact CD2-CG2 3.47Å; L49-V57 VanDerWaalsContact CD2-CG2 3.47Å; L49-Y76 VanDerWaalsContact CB-OH 3.27Å; L49-Y76 WeakPolarHBondContact CB-OH 3.33Å; L49-Y76 HydrophobicContact CD1-CD2 4.44Å; L49-Y76 HydrophobicContact CD1-CE2 3.39Å; L49-Y76 WeakPolarHBondContact CD1-OH 3.47Å; L49-Y76 HydrophobicContact CD2-CE2 3.95Å; L49-Y76 HydrophobicContact CG-CE2 4.18Å; L49-T80 HydrophobicContact CD1-CG2 3.11Å; L49-L81 PolarHBondContact N-O 2.84Å; L49-L81 VanDerWaalsContact N-O 3.07Å
50P82.5Confident77.9Confident0 Ų063.4 Ų63.40%036%0.358CS..PPolyproline II helixtrans-57.2144.4175.8-24.932.5000112.4A6 Q7 D10 L36 Y48 G52 L53 R54A6-P50 HydrophobicContact CB-CB 4.13Å; Q7-P50 HydrophobicContact CG-CB 4.26Å; Q7-P50 HydrophobicContact CG-CG 3.43Å; Q7-P50 VanDerWaalsContact CG-CG 3.43Å; D10-P50 HydrophobicContact CB-CB 4.45Å; D10-P50 WeakPolarHBondContact OD2-CA 3.13Å; D10-P50 WeakPolarHBondContact OD2-CB 3.36Å; L36-P50 HydrophobicContact CD2-CG 4.24Å; Y48-P50 HydrophobicContact CD1-CG 4.45Å; Y48-P50 HydrophobicContact CE1-CB 4.47Å; Y48-P50 HydrophobicContact CE1-CG 4.31Å; P50-G52 PolarHBondContact O-N 3.24Å; P50-G52 VanDerWaalsContact O-N 3.11Å; P50-L53 HydrophobicContact CB-CG 4.48Å; P50-L53 HydrophobicContact CG-CD1 4.19Å; P50-L53 PolarHBondContact O-N 2.95Å; P50-R54 PolarHBondContact O-N 2.94Å
51A80.1Confident76.5Confident34 Ų3462.4 Ų62.428%0.28135%0.352SS..G310 helixtrans-51.8-42.5-174.200000112.7D10 L53 R54D10-A51 PolarHBondContact OD2-N 3.29Å; A51-L53 VanDerWaalsContact C-N 3.3Å; A51-L53 PolarHBondContact O-N 3.16Å; A51-R54 PolarHBondContact O-N 2.78Å
52G78.6Confident75.2Confident51 Ų5162.7 Ų62.753%0.52635%0.349SS..G310 helixtrans-69.1-19.7179.200000115.3P50P50-G52 PolarHBondContact O-N 3.24Å; P50-G52 VanDerWaalsContact O-N 3.11Å
53L79.6Confident74.1Confident18 Ų1866.2 Ų66.29%0.09437%0.368CS..G310 helixtrans-92.9-17.6176.9-63.5-177.2000113V3 A6 L36 L49 P50 A51 S56 V57V3-L53 HydrophobicContact CB-CD1 4.35Å; V3-L53 HydrophobicContact CG1-CD1 4.3Å; V3-L53 HydrophobicContact CG2-CD1 3.96Å; A6-L53 HydrophobicContact CB-CD1 4.47Å; A6-L53 HydrophobicContact CB-CD2 4.05Å; A6-L53 HydrophobicContact CB-CG 3.78Å; L36-L53 HydrophobicContact CD2-CD1 4.19Å; L49-L53 HydrophobicContact CD2-CB 4.19Å; P50-L53 HydrophobicContact CB-CG 4.48Å; P50-L53 HydrophobicContact CG-CD1 4.19Å; P50-L53 PolarHBondContact O-N 2.95Å; A51-L53 VanDerWaalsContact C-N 3.3Å; A51-L53 PolarHBondContact O-N 3.16Å; L53-S56 PolarHBondContact O-N 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 PolarHBondContact O-N 3.48Å
54R77.5Confident72.8Confident99 Ų9967.7 Ų67.737%0.37435%0.35SS..Hα-helixtrans-53.5-47.3-179.2-65.5-173.9-68.3-172.3-15.4112.6L49 P50 A51 S56 V57 F58L49-R54 HydrophobicContact CB-CG 4.38Å; P50-R54 PolarHBondContact O-N 2.94Å; A51-R54 PolarHBondContact O-N 2.78Å; R54-S56 PolarHBondContact O-N 3.36Å; R54-V57 PolarHBondContact O-N 3.16Å; R54-F58 WeakPolarHBondContact O-CB 3.48Å; R54-F58 PolarHBondContact O-N 2.92Å
55P72.7Confident71.4Confident74 Ų7465.9 Ų65.948%0.48134%0.339SS..Hα-helixtrans-63.9-40.7179.6-21.934.6000112.9R59P55-R59 WeakPolarHBondContact O-CB 3.2Å; P55-R59 WeakPolarHBondContact O-CG 3.22Å; P55-R59 PolarHBondContact O-N 2.75Å
56S73.5Confident69.9Low68 Ų6869.8 Ų69.848%0.47635%0.352SS..Hα-helixtrans-67.4-43.2-179.7-580000111.7L53 R54 R59 Y60L53-S56 PolarHBondContact O-N 3.23Å; R54-S56 PolarHBondContact O-N 3.36Å; S56-R59 PolarHBondContact O-N 2.89Å; S56-Y60 WeakPolarHBondContact O-CB 3.13Å; S56-Y60 PolarHBondContact O-N 2.84Å
57V72Confident68.4Low45 Ų4572.4 Ų72.427%0.27337%0.37SS..Hα-helixtrans-72-38.5177.9-178.90000111.4L49 L53 R54 R59 Y60 V61 Y76L49-V57 HydrophobicContact CD2-CB 3.8Å; L49-V57 HydrophobicContact CD2-CG1 4.16Å; L49-V57 HydrophobicContact CD2-CG2 3.47Å; L49-V57 VanDerWaalsContact CD2-CG2 3.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 PolarHBondContact O-N 3.48Å; R54-V57 PolarHBondContact O-N 3.16Å; V57-R59 PolarHBondContact O-N 2.98Å; V57-Y60 PolarHBondContact O-N 3.43Å; V57-V61 HydrophobicContact CG1-CG2 3.96Å; V57-V61 WeakPolarHBondContact O-CB 3.4Å; V57-V61 VanDerWaalsContact O-CG2 3.32Å; V57-V61 WeakPolarHBondContact O-CG2 3.27Å; V57-V61 PolarHBondContact O-N 3.35Å; V57-Y76 HydrophobicContact CB-CE2 3.98Å; V57-Y76 HydrophobicContact CG1-CD2 3.52Å; V57-Y76 HydrophobicContact CG1-CE2 3.35Å
58F67.6Low67Low109 Ų10975.4 Ų75.448%0.47840%0.403SS..Hα-helixtrans-55.4-52.5170.7-173.7-86.1000110.1R54 Y60 V61 F62R54-F58 WeakPolarHBondContact O-CB 3.48Å; R54-F58 PolarHBondContact O-N 2.92Å; F58-Y60 PolarHBondContact O-N 3.27Å; F58-V61 PolarHBondContact O-N 3.49Å; F58-F62 AromaticContact CD1-CD2 3.83Å; F58-F62 HydrophobicContact CD1-CD2 3.83Å; F58-F62 HydrophobicContact CD1-CE2 4.09Å; F58-F62 HydrophobicContact CD1-CG 4.37Å; F58-F62 AromaticContact CD2-CD2 3.78Å; F58-F62 HydrophobicContact CD2-CD2 3.78Å; F58-F62 AromaticContact CD2-CE2 3.29Å; F58-F62 HydrophobicContact CD2-CE2 3.29Å; F58-F62 HydrophobicContact CD2-CZ 4.08Å; F58-F62 HydrophobicContact CE1-CD1 4.4Å; F58-F62 AromaticContact CE1-CD2 3.77Å; F58-F62 HydrophobicContact CE1-CD2 3.77Å; F58-F62 HydrophobicContact CE1-CE1 4.44Å; F58-F62 AromaticContact CE1-CE2 3.83Å; F58-F62 HydrophobicContact CE1-CE2 3.83Å; F58-F62 HydrophobicContact CE1-CG 4.05Å; F58-F62 HydrophobicContact CE1-CZ 4.15Å; F58-F62 AromaticContact CE2-CD2 3.75Å; F58-F62 HydrophobicContact CE2-CD2 3.75Å; F58-F62 HydrophobicContact CE2-CE1 4.27Å; F58-F62 AromaticContact CE2-CE2 2.98Å; F58-F62 HydrophobicContact CE2-CE2 2.98Å; F58-F62 AromaticContact CE2-CZ 3.29Å; F58-F62 HydrophobicContact CE2-CZ 3.29Å; F58-F62 AromaticContact CG-CD2 3.83Å; F58-F62 HydrophobicContact CG-CD2 3.83Å; F58-F62 AromaticContact CG-CE2 3.84Å; F58-F62 HydrophobicContact CG-CE2 3.84Å; F58-F62 HydrophobicContact CZ-CD1 4.26Å; F58-F62 AromaticContact CZ-CD2 3.73Å; F58-F62 HydrophobicContact CZ-CD2 3.73Å; F58-F62 AromaticContact CZ-CE1 3.85Å; F58-F62 HydrophobicContact CZ-CE1 3.85Å; F58-F62 AromaticContact CZ-CE2 3.27Å; F58-F62 HydrophobicContact CZ-CE2 3.27Å; F58-F62 HydrophobicContact CZ-CG 4.19Å; F58-F62 AromaticContact CZ-CZ 3.32Å; F58-F62 HydrophobicContact CZ-CZ 3.32Å; F58-F62 WeakPolarHBondContact O-CB 3.01Å; F58-F62 WeakPolarHBondContact O-CD2 3.39Å; F58-F62 PolarHBondContact O-N 3.35Å
59R64.9Low65.9Low188 Ų18882.3 Ų82.371%0.70944%0.44SS*.Hα-helixtrans-58.1-45.2176.8-73.8-179.9-175-148.92.2112.7P55 S56 V57 V63P55-R59 WeakPolarHBondContact O-CB 3.2Å; P55-R59 WeakPolarHBondContact O-CG 3.22Å; P55-R59 PolarHBondContact O-N 2.75Å; S56-R59 PolarHBondContact O-N 2.89Å; V57-R59 PolarHBondContact O-N 2.98Å; R59-V63 VanDerWaalsContact O-CB 3.25Å; R59-V63 WeakPolarHBondContact O-CB 3.44Å; R59-V63 WeakPolarHBondContact O-CG2 3.45Å; R59-V63 PolarHBondContact O-N 3.26Å
60Y63.7Low64.7Low149 Ų14984.8 Ų84.858%0.58447%0.467SS*.Hα-helixtrans-65.5-43.6-177.1-169.8-95.8000112.9S56 V57 F58 Q64S56-Y60 WeakPolarHBondContact O-CB 3.13Å; S56-Y60 PolarHBondContact O-N 2.84Å; V57-Y60 PolarHBondContact O-N 3.43Å; F58-Y60 PolarHBondContact O-N 3.27Å; Y60-Q64 HydrophobicContact CE1-CG 4.34Å; Y60-Q64 VanDerWaalsContact CE1-NE2 3.31Å; Y60-Q64 VanDerWaalsContact CE1-OE1 3.31Å; Y60-Q64 WeakPolarHBondContact O-CG 3.06Å; Y60-Q64 PolarHBondContact O-N 3.38Å; Y60-Q64 PolarHBondContact OH-NE2 2.92Å
61V59.2Low63.4Low29 Ų2991.1 Ų91.118%0.17650%0.499CS..Hα-helixtrans-71.1-42.7-179.4176.70000110.9V57 F58 V63 Q64 E65V57-V61 HydrophobicContact CG1-CG2 3.96Å; V57-V61 WeakPolarHBondContact O-CB 3.4Å; V57-V61 VanDerWaalsContact O-CG2 3.32Å; V57-V61 WeakPolarHBondContact O-CG2 3.27Å; V57-V61 PolarHBondContact O-N 3.35Å; F58-V61 PolarHBondContact O-N 3.49Å; V61-V63 VanDerWaalsContact C-N 3.34Å; V61-V63 PolarHBondContact O-N 3.47Å; V61-Q64 PolarHBondContact O-N 3.45Å; V61-E65 PolarHBondContact O-N 2.87Å; V61-E65 VanDerWaalsContact O-N 3.16Å
62F55.3Low62.1Low46 Ų4694.3 Ų94.320%0.20251%0.508CS..Hα-helixtrans-67.3-34.4178.2-83.1-100.4000112.5F58 Q64 P74F58-F62 AromaticContact CD1-CD2 3.83Å; F58-F62 HydrophobicContact CD1-CD2 3.83Å; F58-F62 HydrophobicContact CD1-CE2 4.09Å; F58-F62 HydrophobicContact CD1-CG 4.37Å; F58-F62 AromaticContact CD2-CD2 3.78Å; F58-F62 HydrophobicContact CD2-CD2 3.78Å; F58-F62 AromaticContact CD2-CE2 3.29Å; F58-F62 HydrophobicContact CD2-CE2 3.29Å; F58-F62 HydrophobicContact CD2-CZ 4.08Å; F58-F62 HydrophobicContact CE1-CD1 4.4Å; F58-F62 AromaticContact CE1-CD2 3.77Å; F58-F62 HydrophobicContact CE1-CD2 3.77Å; F58-F62 HydrophobicContact CE1-CE1 4.44Å; F58-F62 AromaticContact CE1-CE2 3.83Å; F58-F62 HydrophobicContact CE1-CE2 3.83Å; F58-F62 HydrophobicContact CE1-CG 4.05Å; F58-F62 HydrophobicContact CE1-CZ 4.15Å; F58-F62 AromaticContact CE2-CD2 3.75Å; F58-F62 HydrophobicContact CE2-CD2 3.75Å; F58-F62 HydrophobicContact CE2-CE1 4.27Å; F58-F62 AromaticContact CE2-CE2 2.98Å; F58-F62 HydrophobicContact CE2-CE2 2.98Å; F58-F62 AromaticContact CE2-CZ 3.29Å; F58-F62 HydrophobicContact CE2-CZ 3.29Å; F58-F62 AromaticContact CG-CD2 3.83Å; F58-F62 HydrophobicContact CG-CD2 3.83Å; F58-F62 AromaticContact CG-CE2 3.84Å; F58-F62 HydrophobicContact CG-CE2 3.84Å; F58-F62 HydrophobicContact CZ-CD1 4.26Å; F58-F62 AromaticContact CZ-CD2 3.73Å; F58-F62 HydrophobicContact CZ-CD2 3.73Å; F58-F62 AromaticContact CZ-CE1 3.85Å; F58-F62 HydrophobicContact CZ-CE1 3.85Å; F58-F62 AromaticContact CZ-CE2 3.27Å; F58-F62 HydrophobicContact CZ-CE2 3.27Å; F58-F62 HydrophobicContact CZ-CG 4.19Å; F58-F62 AromaticContact CZ-CZ 3.32Å; F58-F62 HydrophobicContact CZ-CZ 3.32Å; F58-F62 WeakPolarHBondContact O-CB 3.01Å; F58-F62 WeakPolarHBondContact O-CD2 3.39Å; F58-F62 PolarHBondContact O-N 3.35Å; F62-Q64 VanDerWaalsContact C-N 3.31Å; F62-P74 HydrophobicContact CE2-CB 3.82Å; F62-P74 HydrophobicContact CZ-CB 3.72Å; F62-P74 HydrophobicContact CZ-CG 4.03Å
63V51.5Low60.7Low118 Ų11897 Ų9772%0.71552%0.515SS*.Hα-helixtrans-72.1-25.8175.7172.60000112R59 V61R59-V63 VanDerWaalsContact O-CB 3.25Å; R59-V63 WeakPolarHBondContact O-CB 3.44Å; R59-V63 WeakPolarHBondContact O-CG2 3.45Å; R59-V63 PolarHBondContact O-N 3.26Å; V61-V63 VanDerWaalsContact C-N 3.34Å; V61-V63 PolarHBondContact O-N 3.47Å
64Q50.7Low59.1Low125 Ų12598 Ų9858%0.58452%0.522SS*.Hα-helixtrans-85-30.9179.9-81.3-168.1-2100114.7Y60 V61 F62Y60-Q64 HydrophobicContact CE1-CG 4.34Å; Y60-Q64 VanDerWaalsContact CE1-NE2 3.31Å; Y60-Q64 VanDerWaalsContact CE1-OE1 3.31Å; Y60-Q64 WeakPolarHBondContact O-CG 3.06Å; Y60-Q64 PolarHBondContact O-N 3.38Å; Y60-Q64 PolarHBondContact OH-NE2 2.92Å; V61-Q64 PolarHBondContact O-N 3.45Å; F62-Q64 VanDerWaalsContact C-N 3.31Å
65E49.9Very low57.9Low50 Ų50101.6 Ų101.623%0.23454%0.536CS..  trans-105.730.4-174.1-60.6-155.6141.600113.1V61 D67 R75V61-E65 PolarHBondContact O-N 2.87Å; V61-E65 VanDerWaalsContact O-N 3.16Å; E65-D67 PolarHBondContact O-N 3.49Å; E65-R75 WeakPolarHBondContact OE1-CD 3.25Å; E65-R75 IonicContact OE1-CZ 3.64Å; E65-R75 IonicContact OE1-NE 3.91Å; E65-R75 IonicContact OE1-NH1 2.76Å; E65-R75 PolarHBondContact OE1-NH1 2.72Å
66E51.6Low57Low144 Ų14499.8 Ų99.867%0.67352%0.52SS*.  trans-67.975.3158-67.2-131.1125.700108.8Q72E66-Q72 PolarHBondContact OE1-NE2 3.11Å
67D53.3Low56.1Low114 Ų114103.1 Ų103.161%0.6153%0.527SS*.  trans-65.7147.6167.4-75.9-52.2000109.3E65 D69 G70E65-D67 PolarHBondContact O-N 3.49Å; D67-D69 PolarHBondContact O-N 3.17Å; D67-G70 PolarHBondContact O-N 3.21Å
68A55.6Low55.4Low114 Ų114103.9 Ų103.994%0.94254%0.538SS*.THydrogen-bonded Turntrans-57.2-13-168.200000116.5
69D62Low55.4Low146 Ų146108.1 Ų108.178%0.78155%0.551SS**THydrogen-bonded Turntrans-97.7-0.4178.1-98.8-75.1000113.9D67 I71D67-D69 PolarHBondContact O-N 3.17Å; D69-I71 PolarHBondContact O-N 2.96Å
70G56.7Low55.7Low59 Ų5999.8 Ų99.861%0.60852%0.522SS*.  trans67.86174.700000115.4D67 Q72D67-G70 PolarHBondContact O-N 3.21Å; G70-Q72 PolarHBondContact O-N 2.97Å
71I55Low56Low133 Ų13392.9 Ų92.968%0.68250%0.495SS*.  trans-84.789.5176.9-55.8-176.7000109.3D69 T73D69-I71 PolarHBondContact O-N 2.96Å; I71-T73 PolarHBondContact O-N 2.93Å
72Q53Low56.8Low102 Ų10293.1 Ų93.148%0.47750%0.497SS..  trans-71103.2177.7-71.6176-12.700111.3E66 G70E66-Q72 PolarHBondContact OE1-NE2 3.11Å; G70-Q72 PolarHBondContact O-N 2.97Å
73T48.9Very low57.6Low107 Ų10792.3 Ų92.366%0.65649%0.493SS*.  trans-108.4105166.4-39.70000109I71 R75I71-T73 PolarHBondContact O-N 2.93Å; T73-R75 PolarHBondContact O-N 3.42Å
74P47.3Very low58.5Low38 Ų3889.6 Ų89.625%0.24748%0.483CS..  trans-6899.3-175.123-30.5000111.2F62 Y76 Q77F62-P74 HydrophobicContact CE2-CB 3.82Å; F62-P74 HydrophobicContact CZ-CB 3.72Å; F62-P74 HydrophobicContact CZ-CG 4.03Å; P74-Y76 PolarHBondContact O-N 2.78Å; P74-Q77 PolarHBondContact O-N 2.9Å; P74-Q77 VanDerWaalsContact O-N 3.17Å
75R52Low59.4Low176 Ų17686.8 Ų86.866%0.66447%0.47SS*.THydrogen-bonded Turntrans-52.7-22.1170-86.7-170.5176.1141.6-2.8113.1E65 T73 Q77 A78E65-R75 WeakPolarHBondContact OE1-CD 3.25Å; E65-R75 IonicContact OE1-CZ 3.64Å; E65-R75 IonicContact OE1-NE 3.91Å; E65-R75 IonicContact OE1-NH1 2.76Å; E65-R75 PolarHBondContact OE1-NH1 2.72Å; T73-R75 PolarHBondContact O-N 3.42Å; R75-Q77 VanDerWaalsContact C-N 3.29Å; R75-Q77 PolarHBondContact O-N 2.94Å; R75-A78 PolarHBondContact O-N 3.19Å; R75-A78 VanDerWaalsContact O-N 3.11Å
76Y52.3Low60.4Low36 Ų3684.5 Ų84.514%0.14146%0.46CS..Hα-helixtrans-50-45.3175.1178-98.5000112.8L49 V57 P74 A78 R79 T80L49-Y76 VanDerWaalsContact CB-OH 3.27Å; L49-Y76 WeakPolarHBondContact CB-OH 3.33Å; L49-Y76 HydrophobicContact CD1-CD2 4.44Å; L49-Y76 HydrophobicContact CD1-CE2 3.39Å; L49-Y76 WeakPolarHBondContact CD1-OH 3.47Å; L49-Y76 HydrophobicContact CD2-CE2 3.95Å; L49-Y76 HydrophobicContact CG-CE2 4.18Å; V57-Y76 HydrophobicContact CB-CE2 3.98Å; V57-Y76 HydrophobicContact CG1-CD2 3.52Å; V57-Y76 HydrophobicContact CG1-CE2 3.35Å; P74-Y76 PolarHBondContact O-N 2.78Å; Y76-A78 PolarHBondContact O-N 3.4Å; Y76-R79 PolarHBondContact O-N 3.02Å; Y76-T80 WeakPolarHBondContact CD1-OG1 3.22Å; Y76-T80 HydrophobicContact CD2-CG2 3.72Å; Y76-T80 WeakPolarHBondContact CE1-OG1 3.27Å; Y76-T80 HydrophobicContact CE2-CG2 3.64Å; Y76-T80 WeakPolarHBondContact CE2-OG1 3.4Å; Y76-T80 HydrophobicContact CG-CG2 4.37Å; Y76-T80 WeakPolarHBondContact O-CB 3.44Å; Y76-T80 WeakPolarHBondContact O-CG2 3.44Å; Y76-T80 PolarHBondContact O-N 2.89Å; Y76-T80 VanDerWaalsContact O-N 3.11Å; Y76-T80 PolarHBondContact O-OG1 3.01Å
77Q55.8Low61.4Low137 Ų13785.2 Ų85.264%0.6446%0.456SS*.Hα-helixtrans-65.7-25.4-177.3-71.1-171-1400112.9R46 P74 R75R46-Q77 PolarHBondContact NH1-O 3.22Å; P74-Q77 PolarHBondContact O-N 2.9Å; P74-Q77 VanDerWaalsContact O-N 3.17Å; R75-Q77 VanDerWaalsContact C-N 3.29Å; R75-Q77 PolarHBondContact O-N 2.94Å
78A58Low62.3Low61 Ų6186.7 Ų86.750%0.50446%0.464SS..Hα-helixtrans-76.7-28-177.900000113.1R75 Y76R75-A78 PolarHBondContact O-N 3.19Å; R75-A78 VanDerWaalsContact O-N 3.11Å; Y76-A78 PolarHBondContact O-N 3.4Å
79R66.3Low63Low198 Ų19886.3 Ų86.375%0.74744%0.443SS*.Hα-helixtrans-112.1-10.6-171.9-73.5-175.1159.9-178.6-4.4114.3R46 I47 Y76R46-R79 WeakPolarHBondContact CA-O 3.19Å; I47-R79 PolarHBondContact N-O 3.42Å; Y76-R79 PolarHBondContact O-N 3.02Å
80T70.7Confident63Low14 Ų1483.4 Ų83.49%0.08643%0.426CS..EExtended strand (participates in β ladder)trans-120156.2-174.871.10000110.7I47 L49 Y76I47-T80 CarbonylContact O-C 3.58Å; I47-T80 WeakPolarHBondContact O-CA 3.47Å; L49-T80 HydrophobicContact CD1-CG2 3.11Å; Y76-T80 WeakPolarHBondContact CD1-OG1 3.22Å; Y76-T80 HydrophobicContact CD2-CG2 3.72Å; Y76-T80 WeakPolarHBondContact CE1-OG1 3.27Å; Y76-T80 HydrophobicContact CE2-CG2 3.64Å; Y76-T80 WeakPolarHBondContact CE2-OG1 3.4Å; Y76-T80 HydrophobicContact CG-CG2 4.37Å; Y76-T80 WeakPolarHBondContact O-CB 3.44Å; Y76-T80 WeakPolarHBondContact O-CG2 3.44Å; Y76-T80 PolarHBondContact O-N 2.89Å; Y76-T80 VanDerWaalsContact O-N 3.11Å; Y76-T80 PolarHBondContact O-OG1 3.01Å
81L71.1Confident63.4Low4 Ų484.6 Ų84.62%0.02142%0.416CS..EExtended strand (participates in β ladder)trans-122.7138.9172.9-73.9165.7000108.5N39 R46 I47 Y48 L49 E85 L86N39-L81 HydrophobicContact CB-CD1 3.8Å; R46-L81 HydrophobicContact CB-CB 4.44Å; R46-L81 HydrophobicContact CB-CD1 3.51Å; R46-L81 HydrophobicContact CB-CD2 4.45Å; R46-L81 HydrophobicContact CB-CG 3.48Å; R46-L81 VanDerWaalsContact CB-CG 3.48Å; R46-L81 VanDerWaalsContact CD-CD2 3.48Å; R46-L81 VanDerWaalsContact CD-CG 3.43Å; R46-L81 HydrophobicContact CG-CD1 4.32Å; R46-L81 HydrophobicContact CG-CG 4.14Å; I47-L81 PolarHBondContact O-N 3.37Å; Y48-L81 WeakPolarHBondContact CA-O 3.16Å; L49-L81 PolarHBondContact N-O 2.84Å; L49-L81 VanDerWaalsContact N-O 3.07Å; L81-E85 WeakPolarHBondContact CA-OE2 3.41Å; L81-E85 HydrophobicContact CD2-CB 3.4Å; L81-E85 HydrophobicContact CD2-CG 4.16Å; L81-L86 HydrophobicContact CD1-CD2 3.85Å
82C76.2Confident63.8Low33 Ų3381.9 Ų81.922%0.22340%0.402CS..  trans-96.2168.3159.466.60000110.6A84 E85 L86C82-A84 PolarHBondContact O-N 2.99Å; C82-E85 PolarHBondContact N-OE2 3.02Å; C82-E85 PolarHBondContact O-N 2.73Å; C82-E85 PolarHBondContact SG-OE2 3.03Å; C82-E85 VanDerWaalsContact SG-OE2 3.39Å; C82-L86 PolarHBondContact O-N 3.22Å; C82-L86 VanDerWaalsContact O-N 3.17Å
83F71.5Confident64.5Low29 Ų2980.8 Ų80.813%0.12740%0.397CS..Hα-helixtrans-55-38177.9-179.3-117.7000113.9E12 W15 Y48 E85 L86 R87E12-F83 HydrophobicContact CB-CB 3.77Å; E12-F83 HydrophobicContact CB-CD1 3.99Å; E12-F83 HydrophobicContact CB-CD2 3.4Å; E12-F83 HydrophobicContact CB-CE1 4.32Å; E12-F83 HydrophobicContact CB-CE2 3.75Å; E12-F83 HydrophobicContact CB-CG 3.48Å; E12-F83 VanDerWaalsContact CB-CG 3.48Å; E12-F83 HydrophobicContact CB-CZ 4.22Å; E12-F83 VanDerWaalsContact CD-CD1 3.4Å; E12-F83 VanDerWaalsContact CD-CG 3.5Å; E12-F83 HydrophobicContact CG-CB 3.97Å; E12-F83 HydrophobicContact CG-CD1 3.57Å; E12-F83 HydrophobicContact CG-CD2 3.97Å; E12-F83 HydrophobicContact CG-CE1 3.85Å; E12-F83 HydrophobicContact CG-CE2 4.19Å; E12-F83 HydrophobicContact CG-CG 3.6Å; E12-F83 HydrophobicContact CG-CZ 4.15Å; E12-F83 WeakPolarHBondContact O-CE2 3.46Å; E12-F83 WeakPolarHBondContact OE1-CD1 3.46Å; E12-F83 WeakPolarHBondContact OE2-CB 3.31Å; W15-F83 HydrophobicContact CB-CE2 4.19Å; W15-F83 AromaticContact CD2-CE2 3.74Å; W15-F83 HydrophobicContact CD2-CE2 3.74Å; W15-F83 HydrophobicContact CD2-CZ 4.04Å; W15-F83 HydrophobicContact CE3-CD2 4.18Å; W15-F83 AromaticContact CE3-CE2 3.28Å; W15-F83 HydrophobicContact CE3-CE2 3.28Å; W15-F83 AromaticContact CE3-CZ 3.98Å; W15-F83 HydrophobicContact CE3-CZ 3.98Å; W15-F83 HydrophobicContact CG-CE2 4.15Å; W15-F83 HydrophobicContact CG-CZ 4.32Å; W15-F83 AromaticContact CZ3-CE2 3.9Å; W15-F83 HydrophobicContact CZ3-CE2 3.9Å; Y48-F83 HydrophobicContact CE2-CB 4.31Å; F83-E85 PolarHBondContact O-N 3.19Å; F83-L86 WeakPolarHBondContact O-CB 3.41Å; F83-L86 PolarHBondContact O-N 3.41Å; F83-R87 HydrophobicContact CD1-CG 4.21Å; F83-R87 HydrophobicContact CD2-CG 4.31Å; F83-R87 HydrophobicContact CE1-CG 3.87Å; F83-R87 HydrophobicContact CE2-CG 4.01Å; F83-R87 HydrophobicContact CG-CG 4.44Å; F83-R87 HydrophobicContact CZ-CG 3.77Å; F83-R87 PolarHBondContact O-N 3.08Å
84A71Confident65.4Low61 Ų6179.1 Ų79.150%0.50438%0.381SS..Hα-helixtrans-58.5-35.417800000112.4C82 N88C82-A84 PolarHBondContact O-N 2.99Å; A84-N88 PolarHBondContact O-ND2 3.35Å; A84-N88 VanDerWaalsContact O-ND2 3.15Å
85E69.1Low66.6Low67 Ų6781.9 Ų81.931%0.31339%0.39SS..Hα-helixtrans-80.6-28.1176.3-64168.6103.700112.6R46 L81 C82 F83R46-E85 IonicContact NH1-OE1 3.05Å; R46-E85 PolarHBondContact NH1-OE1 3.48Å; L81-E85 WeakPolarHBondContact CA-OE2 3.41Å; L81-E85 HydrophobicContact CD2-CB 3.4Å; L81-E85 HydrophobicContact CD2-CG 4.16Å; C82-E85 PolarHBondContact N-OE2 3.02Å; C82-E85 PolarHBondContact O-N 2.73Å; C82-E85 PolarHBondContact SG-OE2 3.03Å; C82-E85 VanDerWaalsContact SG-OE2 3.39Å; F83-E85 PolarHBondContact O-N 3.19Å
86L70.7Confident67.7Low1 Ų175.1 Ų75.11%0.00537%0.37CS..Hα-helixtrans-68.1-37.6172-73.6-177.9000112.3A16 L22 N39 Y48 L81 C82 F83 N88 Q89A16-L86 HydrophobicContact CB-CD1 3.73Å; L22-L86 HydrophobicContact CD1-CB 4.17Å; L22-L86 HydrophobicContact CD1-CD1 4.42Å; L22-L86 HydrophobicContact CD1-CD2 4.19Å; L22-L86 HydrophobicContact CD2-CD2 4.18Å; N39-L86 HydrophobicContact CB-CD2 3.97Å; N39-L86 WeakPolarHBondContact ND2-CD2 3.34Å; Y48-L86 HydrophobicContact CD2-CD1 3.23Å; Y48-L86 HydrophobicContact CD2-CG 4.16Å; Y48-L86 HydrophobicContact CE2-CD1 3.6Å; Y48-L86 HydrophobicContact CG-CD1 4.15Å; L81-L86 HydrophobicContact CD1-CD2 3.85Å; C82-L86 PolarHBondContact O-N 3.22Å; C82-L86 VanDerWaalsContact O-N 3.17Å; F83-L86 WeakPolarHBondContact O-CB 3.41Å; F83-L86 PolarHBondContact O-N 3.41Å; L86-N88 PolarHBondContact O-N 3.2Å; L86-Q89 PolarHBondContact O-N 3.2Å
87R72.7Confident68.9Low160 Ų16078.2 Ų78.260%0.60439%0.388SS*.THydrogen-bonded Turntrans-68.9-19.1178-73.2-161.375.5172.45.2114.2W15 F83W15-R87 HydrophobicContact CH2-CG 3.81Å; W15-R87 HydrophobicContact CZ2-CG 4.46Å; W15-R87 HydrophobicContact CZ3-CG 3.88Å; F83-R87 HydrophobicContact CD1-CG 4.21Å; F83-R87 HydrophobicContact CD2-CG 4.31Å; F83-R87 HydrophobicContact CE1-CG 3.87Å; F83-R87 HydrophobicContact CE2-CG 4.01Å; F83-R87 HydrophobicContact CG-CG 4.44Å; F83-R87 HydrophobicContact CZ-CG 3.77Å; F83-R87 PolarHBondContact O-N 3.08Å
88N73Confident70Confident144 Ų14473.3 Ų73.377%0.7737%0.367SS*.THydrogen-bonded Turntrans-94.710.1178.9-72.5-32.5000112.9A84 L86A84-N88 PolarHBondContact O-ND2 3.35Å; A84-N88 VanDerWaalsContact O-ND2 3.15Å; L86-N88 PolarHBondContact O-N 3.2Å
89Q69.4Low71Confident107 Ų10774.4 Ų74.450%0.536%0.355SS..  trans-99.10176-76.5-177.861.500112.9L22 N39 S42 L86L22-Q89 HydrophobicContact CD2-CB 4.25Å; N39-Q89 PolarHBondContact ND2-NE2 3.4Å; N39-Q89 VanDerWaalsContact ND2-NE2 3.11Å; N39-Q89 PolarHBondContact ND2-OE1 3Å; S42-Q89 PolarHBondContact OG-OE1 3.05Å; L86-Q89 PolarHBondContact O-N 3.2Å

Retrieved 89 of 89 residues in 127.6 ms (Link to these results)

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