A0A077ZMP3_TRITR Loading...

NTF2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.9Low86.6Confident180 Ų18098.5 Ų98.589%0.88750%0.496SS*.  0126.50-173.8-174.3-63.900107T5 M9M1-T5 HydrophobicContact CG-CG2 4.21Å; M1-M9 HydrophobicContact CE-CE 3.74Å; M1-M9 HydrophobicContact CG-CE 4.1Å; M1-M9 HydrophobicContact SD-CE 3.31Å; M1-M9 WeakPolarHBondContact SD-CE 3.49Å
2T84.3Confident87.2Confident81 Ų8190.3 Ų90.350%0.49746%0.455SS..  trans-80.4158179.265.90000110.1E4 T5 S6T2-E4 PolarHBondContact O-N 3.13Å; T2-T5 PolarHBondContact O-N 3.1Å; T2-T5 VanDerWaalsContact O-N 3.16Å; T2-T5 PolarHBondContact OG1-N 3.33Å; T2-T5 VanDerWaalsContact OG1-N 3.12Å; T2-T5 PolarHBondContact OG1-OG1 3.28Å; T2-S6 PolarHBondContact O-N 3.07Å
3E86.3Confident87.8Confident181 Ų18188.2 Ų88.285%0.84645%0.454SS*.Hα-helixtrans-56.9-36.8173.6-67.7-176.4167.700111.6S6 R7E3-S6 PolarHBondContact O-N 3.27Å; E3-R7 WeakPolarHBondContact O-CB 3.27Å; E3-R7 PolarHBondContact O-N 3.3Å
4E84.7Confident88.3Confident109 Ų10988.6 Ų88.651%0.50946%0.458SS..Hα-helixtrans-62-47.8174.9-173.7176.5-165.900111.8T2 S6 R7 D8 R82T2-E4 PolarHBondContact O-N 3.13Å; E4-S6 VanDerWaalsContact C-N 3.32Å; E4-S6 PolarHBondContact O-N 2.87Å; E4-R7 PolarHBondContact O-N 2.84Å; E4-D8 PolarHBondContact O-N 2.81Å; E4-R82 IonicContact OE1-CZ 3.13Å; E4-R82 IonicContact OE1-NE 3.38Å; E4-R82 IonicContact OE1-NH1 2.92Å; E4-R82 PolarHBondContact OE1-NH1 2.91Å
5T86.2Confident88.7Confident64 Ų6483.9 Ų83.939%0.39343%0.434SS..Hα-helixtrans-61.5-41.7176.4-53.90000111.3M1 T2 D8 M9M1-T5 HydrophobicContact CG-CG2 4.21Å; T2-T5 PolarHBondContact O-N 3.1Å; T2-T5 VanDerWaalsContact O-N 3.16Å; T2-T5 PolarHBondContact OG1-N 3.33Å; T2-T5 VanDerWaalsContact OG1-N 3.12Å; T2-T5 PolarHBondContact OG1-OG1 3.28Å; T5-D8 PolarHBondContact O-N 2.91Å; T5-M9 HydrophobicContact CG2-CE 4.13Å; T5-M9 HydrophobicContact CG2-SD 4.37Å; T5-M9 WeakPolarHBondContact O-CG 3.24Å; T5-M9 PolarHBondContact O-N 3.12Å
6S88.1Confident89.1Confident54 Ų5478.9 Ų78.938%0.37841%0.409SS..Hα-helixtrans-61.8-45.8176.8-169.70000111.4T2 E3 E4 D8 M9 T10T2-S6 PolarHBondContact O-N 3.07Å; E3-S6 PolarHBondContact O-N 3.27Å; E4-S6 VanDerWaalsContact C-N 3.32Å; E4-S6 PolarHBondContact O-N 2.87Å; S6-D8 VanDerWaalsContact C-N 3.31Å; S6-D8 PolarHBondContact O-N 2.94Å; S6-M9 PolarHBondContact O-N 3.3Å; S6-T10 PolarHBondContact O-N 2.86Å; S6-T10 PolarHBondContact O-OG1 2.87Å
7R89.5Confident89.5Confident172 Ų17277.8 Ų77.865%0.64941%0.41SS*.Hα-helixtrans-60.7-41.1177.9-176.9177178.2175.30.5111.8E3 E4 T10 I11E3-R7 WeakPolarHBondContact O-CB 3.27Å; E3-R7 PolarHBondContact O-N 3.3Å; E4-R7 PolarHBondContact O-N 2.84Å; R7-T10 PolarHBondContact O-N 2.89Å; R7-I11 HydrophobicContact CG-CD1 3.97Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.31Å; R7-I11 PolarHBondContact O-N 2.9Å
8D90.1Very high89.8Confident24 Ų2479.6 Ų79.613%0.12842%0.419CS..Hα-helixtrans-64-45.3178.4-76.2-7.9000112.8E4 T5 S6 T10 I11 A12 L80 R82E4-D8 PolarHBondContact O-N 2.81Å; T5-D8 PolarHBondContact O-N 2.91Å; S6-D8 VanDerWaalsContact C-N 3.31Å; S6-D8 PolarHBondContact O-N 2.94Å; D8-T10 VanDerWaalsContact C-N 3.33Å; D8-T10 PolarHBondContact O-N 2.85Å; D8-I11 PolarHBondContact O-N 2.8Å; D8-A12 WeakPolarHBondContact O-CB 3.03Å; D8-A12 PolarHBondContact O-N 2.96Å; D8-L80 HydrophobicContact CB-CB 4.15Å; D8-L80 HydrophobicContact CB-CD2 3.98Å; D8-L80 VanDerWaalsContact CG-CD2 3.5Å; D8-L80 WeakPolarHBondContact OD1-CD2 3.37Å; D8-R82 IonicContact OD1-CZ 3.84Å; D8-R82 IonicContact OD1-NE 2.59Å; D8-R82 PolarHBondContact OD1-NE 3.17Å; D8-R82 IonicContact OD1-NH2 2.73Å; D8-R82 PolarHBondContact OD1-NH2 2.98Å; D8-R82 WeakPolarHBondContact OD2-CD 3.32Å; D8-R82 IonicContact OD2-CZ 3.86Å; D8-R82 IonicContact OD2-NE 3.55Å; D8-R82 PolarHBondContact OD2-NE 2.88Å; D8-R82 IonicContact OD2-NH2 2.61Å
9M90.8Very high90.1Very high90 Ų9075.7 Ų75.744%0.44340%0.399SS..Hα-helixtrans-63.7-41176.5-68.9-174.7-57.700111.2M1 T5 S6 A12 S13M1-M9 HydrophobicContact CE-CE 3.74Å; M1-M9 HydrophobicContact CG-CE 4.1Å; M1-M9 HydrophobicContact SD-CE 3.31Å; M1-M9 WeakPolarHBondContact SD-CE 3.49Å; T5-M9 HydrophobicContact CG2-CE 4.13Å; T5-M9 HydrophobicContact CG2-SD 4.37Å; T5-M9 WeakPolarHBondContact O-CG 3.24Å; T5-M9 PolarHBondContact O-N 3.12Å; S6-M9 PolarHBondContact O-N 3.3Å; M9-A12 PolarHBondContact O-N 2.84Å; M9-S13 WeakPolarHBondContact O-CB 3.22Å; M9-S13 PolarHBondContact O-N 2.82Å
10T92.6Very high90.5Very high74 Ų7473.6 Ų73.645%0.45439%0.387SS..Hα-helixtrans-62.2-44.8175.3-57.60000111.8S6 R7 D8 N14S6-T10 PolarHBondContact O-N 2.86Å; S6-T10 PolarHBondContact O-OG1 2.87Å; R7-T10 PolarHBondContact O-N 2.89Å; D8-T10 VanDerWaalsContact C-N 3.33Å; D8-T10 PolarHBondContact O-N 2.85Å; T10-N14 WeakPolarHBondContact O-CB 3.48Å; T10-N14 PolarHBondContact O-N 2.7Å; T10-N14 PolarHBondContact O-ND2 2.89Å
11I91.9Very high90.7Very high54 Ų5478.6 Ų78.628%0.27740%0.401SS..Hα-helixtrans-62.5-51.5177.1-69.2165.9000110.3R7 D8 S13 N14 V15 L80R7-I11 HydrophobicContact CG-CD1 3.97Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.31Å; R7-I11 PolarHBondContact O-N 2.9Å; D8-I11 PolarHBondContact O-N 2.8Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 2.94Å; I11-N14 PolarHBondContact O-N 2.82Å; I11-V15 HydrophobicContact CG2-CG2 4.22Å; I11-V15 WeakPolarHBondContact O-CB 3.36Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.05Å; I11-V15 PolarHBondContact O-N 3.45Å; I11-L80 HydrophobicContact CG2-CD1 4.33Å
12A94Very high91.9Very high0 Ų074.9 Ų74.90%038%0.384CS..Hα-helixtrans-59-44.9-178.800000111.6D8 M9 V15 A16 A78 L80 V89D8-A12 WeakPolarHBondContact O-CB 3.03Å; D8-A12 PolarHBondContact O-N 2.96Å; M9-A12 PolarHBondContact O-N 2.84Å; A12-V15 PolarHBondContact O-N 2.92Å; A12-A16 VanDerWaalsContact O-CB 3.23Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.19Å; A12-A78 HydrophobicContact CB-CB 4.23Å; A12-L80 HydrophobicContact CB-CB 4.35Å; A12-V89 HydrophobicContact CB-CG1 4.34Å
13S94.8Very high92.5Very high64 Ų6471 Ų7145%0.44836%0.361SS..Hα-helixtrans-63.6-44.2178.2-176.40000112.6M9 I11 A16 S17M9-S13 WeakPolarHBondContact O-CB 3.22Å; M9-S13 PolarHBondContact O-N 2.82Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 2.94Å; S13-A16 PolarHBondContact O-N 3.22Å; S13-S17 WeakPolarHBondContact O-CB 3.39Å; S13-S17 PolarHBondContact O-N 3.48Å; S13-S17 PolarHBondContact O-OG 2.71Å
14N94.7Very high93Very high93 Ų9363.9 Ų63.950%0.49733%0.327SS..Hα-helixtrans-64.7-46.7177.8-74.9-16.7000111.6T10 I11 S17 L18T10-N14 WeakPolarHBondContact O-CB 3.48Å; T10-N14 PolarHBondContact O-N 2.7Å; T10-N14 PolarHBondContact O-ND2 2.89Å; I11-N14 PolarHBondContact O-N 2.82Å; N14-S17 PolarHBondContact O-N 3.07Å; N14-L18 WeakPolarHBondContact O-CG 3.28Å; N14-L18 PolarHBondContact O-N 3.38Å; N14-L18 VanDerWaalsContact O-N 3.08Å
15V94.5Very high93.3Very high18 Ų1863.2 Ų63.211%0.10932%0.323CS..Hα-helixtrans-60.8-48.3177.7171.20000110.3I11 A12 S17 L18 F19 V89 L114 Y121I11-V15 HydrophobicContact CG2-CG2 4.22Å; I11-V15 WeakPolarHBondContact O-CB 3.36Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.05Å; I11-V15 PolarHBondContact O-N 3.45Å; A12-V15 PolarHBondContact O-N 2.92Å; V15-S17 PolarHBondContact O-N 3.29Å; V15-L18 PolarHBondContact O-N 3.39Å; V15-F19 WeakPolarHBondContact O-CB 3.37Å; V15-F19 PolarHBondContact O-N 3.34Å; V15-V89 HydrophobicContact CB-CG2 4.25Å; V15-V89 HydrophobicContact CG1-CB 4.27Å; V15-V89 HydrophobicContact CG1-CG1 4.3Å; V15-V89 HydrophobicContact CG1-CG2 4.04Å; V15-V89 HydrophobicContact CG2-CG2 4.49Å; V15-L114 HydrophobicContact CG1-CD1 4.06Å; V15-Y121 HydrophobicContact CB-CE2 4.36Å; V15-Y121 HydrophobicContact CG1-CD1 3.76Å; V15-Y121 HydrophobicContact CG1-CD2 3.72Å; V15-Y121 HydrophobicContact CG1-CE1 3.97Å; V15-Y121 HydrophobicContact CG1-CE2 3.95Å; V15-Y121 HydrophobicContact CG1-CG 3.62Å; V15-Y121 HydrophobicContact CG2-CD2 3.99Å; V15-Y121 HydrophobicContact CG2-CE1 4.27Å; V15-Y121 HydrophobicContact CG2-CE2 3.42Å; V15-Y121 VanDerWaalsContact CG2-CE2 3.42Å
16A95.4Very high93.2Very high4 Ų469.5 Ų69.53%0.03334%0.339CS..Hα-helixtrans-63.3-42.1-179.900000112.4A12 S13 L18 F19 L20 A78 M91A12-A16 VanDerWaalsContact O-CB 3.23Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.19Å; S13-A16 PolarHBondContact O-N 3.22Å; A16-L18 PolarHBondContact O-N 3.34Å; A16-F19 PolarHBondContact O-N 3.46Å; A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 PolarHBondContact O-N 3.1Å; A16-A78 HydrophobicContact CB-CB 3.34Å; A16-M91 HydrophobicContact CB-CE 4.34Å; A16-M91 HydrophobicContact CB-CG 4.12Å; A16-M91 HydrophobicContact CB-SD 4.18Å; A16-M91 WeakPolarHBondContact O-CE 3.34Å
17S95.1Very high93.2Very high60 Ų6069.8 Ų69.842%0.4234%0.336SS..Hα-helixtrans-61.8-43178.2-630000112.3S13 N14 V15 R21S13-S17 WeakPolarHBondContact O-CB 3.39Å; S13-S17 PolarHBondContact O-N 3.48Å; S13-S17 PolarHBondContact O-OG 2.71Å; N14-S17 PolarHBondContact O-N 3.07Å; V15-S17 PolarHBondContact O-N 3.29Å; S17-R21 WeakPolarHBondContact O-CG 3.14Å
18L95.2Very high93.3Very high111 Ų11161.6 Ų61.658%0.58131%0.305SS*.Hα-helixtrans-71.4-45.5177.2-68.6173.9000111.4N14 V15 A16 L20 R21 L22N14-L18 WeakPolarHBondContact O-CG 3.28Å; N14-L18 PolarHBondContact O-N 3.38Å; N14-L18 VanDerWaalsContact O-N 3.08Å; V15-L18 PolarHBondContact O-N 3.39Å; A16-L18 PolarHBondContact O-N 3.34Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-L20 PolarHBondContact O-N 2.81Å; L18-R21 PolarHBondContact O-N 2.92Å; L18-L22 PolarHBondContact O-N 3.46Å
19F96.6Very high93.5Very high6 Ų660.5 Ų60.53%0.02630%0.299CS..Hα-helixtrans-65-38.5-179-164.4-88.7000111.7V15 A16 R21 L22 Y23 L39 M91 L112 L114 Y121 I123V15-F19 WeakPolarHBondContact O-CB 3.37Å; V15-F19 PolarHBondContact O-N 3.34Å; A16-F19 PolarHBondContact O-N 3.46Å; F19-R21 VanDerWaalsContact C-N 3.28Å; F19-R21 PolarHBondContact O-N 2.78Å; F19-L22 CarbonylContact O-C 3.44Å; F19-L22 WeakPolarHBondContact O-CB 3.45Å; F19-L22 PolarHBondContact O-N 2.79Å; F19-Y23 HydrophobicContact CE1-CD2 4.18Å; F19-Y23 HydrophobicContact CE1-CG 4.29Å; F19-Y23 WeakPolarHBondContact O-CB 3.44Å; F19-Y23 PolarHBondContact O-N 2.87Å; F19-L39 HydrophobicContact CE2-CD2 4.28Å; F19-L39 HydrophobicContact CZ-CD2 4.09Å; F19-M91 HydrophobicContact CD1-SD 4.11Å; F19-L112 HydrophobicContact CD1-CD1 4.5Å; F19-L112 HydrophobicContact CE1-CD1 4.17Å; F19-L114 HydrophobicContact CB-CD1 3.92Å; F19-L114 HydrophobicContact CD1-CD1 3.81Å; F19-L114 HydrophobicContact CD1-CD2 3.84Å; F19-L114 HydrophobicContact CD1-CG 4.49Å; F19-L114 HydrophobicContact CD2-CD1 4.03Å; F19-L114 HydrophobicContact CD2-CD2 4.27Å; F19-L114 HydrophobicContact CE1-CD1 4.42Å; F19-L114 HydrophobicContact CE1-CD2 3.58Å; F19-L114 HydrophobicContact CE2-CD2 4.05Å; F19-L114 HydrophobicContact CG-CD1 3.61Å; F19-L114 HydrophobicContact CG-CD2 4.19Å; F19-L114 HydrophobicContact CZ-CD2 3.72Å; F19-Y121 VanDerWaalsContact CE2-O 3.26Å; F19-Y121 WeakPolarHBondContact CE2-O 3.48Å; F19-I123 HydrophobicContact CE1-CD1 3.96Å; F19-I123 HydrophobicContact CE1-CG1 3.86Å; F19-I123 HydrophobicContact CZ-CD1 3.85Å; F19-I123 HydrophobicContact CZ-CG1 3.59Å
20L96.7Very high93.6Very high33 Ų3356.8 Ų56.817%0.17329%0.285CS..Hα-helixtrans-57.5-41.1176.5-172.859.4000112.1A16 L18 L22 Y23 H24 V73 C76 M91 V93A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 PolarHBondContact O-N 3.1Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-L20 PolarHBondContact O-N 2.81Å; L20-L22 PolarHBondContact O-N 3.33Å; L20-Y23 PolarHBondContact O-N 2.81Å; L20-H24 HydrophobicContact CD1-CB 4.1Å; L20-H24 WeakPolarHBondContact O-CB 3.49Å; L20-H24 PolarHBondContact O-N 2.91Å; L20-V73 HydrophobicContact CD1-CG2 4.12Å; L20-V73 HydrophobicContact CD2-CG1 4.22Å; L20-C76 HydrophobicContact CD2-CB 4.01Å; L20-M91 HydrophobicContact CB-CE 3.49Å; L20-M91 VanDerWaalsContact CB-CE 3.49Å; L20-M91 HydrophobicContact CD1-CE 3.66Å; L20-M91 HydrophobicContact CG-CE 4.06Å; L20-V93 HydrophobicContact CD1-CG1 3.93Å; L20-V93 HydrophobicContact CD1-CG2 4.1Å
21R95Very high93.7Very high178 Ų17854.2 Ų54.267%0.67227%0.267SS*.Hα-helixtrans-64.6-28.7178.4-67.9174.1-178.9-175.90.7112.7S17 L18 F19 K25S17-R21 WeakPolarHBondContact O-CG 3.14Å; L18-R21 PolarHBondContact O-N 2.92Å; F19-R21 VanDerWaalsContact C-N 3.28Å; F19-R21 PolarHBondContact O-N 2.78Å; R21-K25 PolarHBondContact O-NZ 3.27Å
22L94.5Very high93.9Very high102 Ų10251.6 Ų51.653%0.53425%0.254SS..Hα-helixtrans-83.7-40.1175.6-60.9176.3000111.4L18 F19 L20 H31 L39L18-L22 PolarHBondContact O-N 3.46Å; F19-L22 CarbonylContact O-C 3.44Å; F19-L22 WeakPolarHBondContact O-CB 3.45Å; F19-L22 PolarHBondContact O-N 2.79Å; L20-L22 PolarHBondContact O-N 3.33Å; L22-H31 PolarHBondContact O-NE2 3.45Å; L22-L39 HydrophobicContact CB-CD2 4.05Å
23Y96.2Very high93.9Very high1 Ų152.1 Ų52.10%0.00426%0.257CS..Hα-helixtrans-72.7-45.2-176.3177.6-104.7000112.9F19 L20 L28 H31 L32 H110 L112 I123F19-Y23 HydrophobicContact CE1-CD2 4.18Å; F19-Y23 HydrophobicContact CE1-CG 4.29Å; F19-Y23 WeakPolarHBondContact O-CB 3.44Å; F19-Y23 PolarHBondContact O-N 2.87Å; L20-Y23 PolarHBondContact O-N 2.81Å; Y23-L28 HydrophobicContact CE1-CD1 4.33Å; Y23-L28 WeakPolarHBondContact O-CD1 3.21Å; Y23-H31 PolarHBondContact O-CD2 2.8Å; Y23-L32 HydrophobicContact CD2-CD2 3.61Å; Y23-L32 HydrophobicContact CE2-CD1 3.85Å; Y23-L32 HydrophobicContact CE2-CD2 3.64Å; Y23-L32 HydrophobicContact CE2-CG 4.4Å; Y23-L32 HydrophobicContact CG-CD2 4.42Å; Y23-L32 WeakPolarHBondContact O-CD2 3.34Å; Y23-H110 AromaticContact CZ-ND1 3.95Å; Y23-H110 PolarHBondContact OH-ND1 2.9Å; Y23-L112 HydrophobicContact CD1-CD1 4.13Å; Y23-L112 HydrophobicContact CD2-CD1 3.98Å; Y23-L112 HydrophobicContact CE1-CD1 4.08Å; Y23-L112 HydrophobicContact CE2-CD1 3.93Å; Y23-L112 HydrophobicContact CE2-CD2 4.23Å; Y23-L112 HydrophobicContact CG-CD1 4.09Å; Y23-I123 HydrophobicContact CD2-CD1 3.98Å; Y23-I123 HydrophobicContact CE2-CD1 4.04Å
24H95.7Very high93.9Very high31 Ų3156.8 Ų56.814%0.14427%0.265CS..  trans-102129.3-171-173.2-84.2000112.3L20 S71 V73L20-H24 HydrophobicContact CD1-CB 4.1Å; L20-H24 WeakPolarHBondContact O-CB 3.49Å; L20-H24 PolarHBondContact O-N 2.91Å; H24-S71 PolarHBondContact CE1-O 2.9Å; H24-S71 VanDerWaalsContact NE2-CB 3.34Å; H24-S71 WeakPolarHBondContact NE2-CB 3.46Å; H24-S71 PolarHBondContact NE2-O 3.34Å; H24-S71 PolarHBondContact NE2-OG 3.04Å; H24-V73 HydrophobicContact CB-CG2 4.19Å
25K91.6Very high93.9Very high95 Ų9555.6 Ų55.641%0.41326%0.257SS..  trans-140.3162.9170-61.7-62.2178.7-155.40108.7R21 N27 L28 H31R21-K25 PolarHBondContact O-NZ 3.27Å; K25-N27 VanDerWaalsContact C-N 3.31Å; K25-N27 CarbonylContact O-C 3.55Å; K25-N27 PolarHBondContact O-N 3.48Å; K25-L28 WeakPolarHBondContact O-CA 3.27Å; K25-L28 PolarHBondContact O-N 3.39Å; K25-H31 HydrophobicContact CB-CB 3.91Å; K25-H31 HydrophobicContact CG-CB 4.07Å; K25-H31 VanDerWaalsContact CG-CG 3.44Å; K25-H31 WeakPolarHBondContact CG-ND1 3.46Å
26R84.4Confident93.9Very high196 Ų19654.8 Ų54.874%0.7425%0.252SS*.SBendtrans-48.8-46.9-178-175.6175.1177171.6-0.1113.4T70 S71R26-T70 HydrophobicContact CG-CG2 4.23Å; R26-T70 VanDerWaalsContact O-CA 3.31Å; R26-T70 WeakPolarHBondContact O-CA 3.23Å; R26-S71 PolarHBondContact O-N 3.36Å
27N87.6Confident93.8Very high59 Ų5961.1 Ų61.132%0.31628%0.281SS..BIsolated β-bridgetrans-97.184.4170.3179.5-5.8000108.7K25 G30 H31K25-N27 VanDerWaalsContact C-N 3.31Å; K25-N27 CarbonylContact O-C 3.55Å; K25-N27 PolarHBondContact O-N 3.48Å; N27-G30 WeakPolarHBondContact OD1-CA 3.43Å; N27-G30 PolarHBondContact OD1-N 2.73Å; N27-G30 VanDerWaalsContact OD1-N 3.07Å; N27-H31 WeakPolarHBondContact O-CB 3.44Å; N27-H31 PolarHBondContact O-N 2.79Å
28L92.7Very high93.8Very high0 Ų063.1 Ų63.10%029%0.287CS..Hα-helixtrans-59.2-56.7-168.2179.463.1000111.6Y23 K25 H31 L32 E97Y23-L28 HydrophobicContact CE1-CD1 4.33Å; Y23-L28 WeakPolarHBondContact O-CD1 3.21Å; K25-L28 WeakPolarHBondContact O-CA 3.27Å; K25-L28 PolarHBondContact O-N 3.39Å; L28-H31 WeakPolarHBondContact O-CB 3.27Å; L28-H31 PolarHBondContact O-N 3.34Å; L28-L32 HydrophobicContact CD1-CD1 3.91Å; L28-L32 HydrophobicContact CD1-CG 4.06Å; L28-L32 HydrophobicContact CG-CD1 3.94Å; L28-L32 HydrophobicContact CG-CG 4.38Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-E97 VanDerWaalsContact CD2-OE1 3.3Å; L28-E97 WeakPolarHBondContact CD2-OE1 3.41Å
29Y94.4Very high93.9Very high1 Ų158.4 Ų58.40%0.00426%0.262CS..Hα-helixtrans-70.2-36.7-175.3-57.9-60.6000112.8H31 L32 S33 F48 Y63 V66 V69 E97 H130Y29-H31 VanDerWaalsContact C-N 3.3Å; Y29-H31 PolarHBondContact O-N 3.08Å; Y29-L32 HydrophobicContact CD1-CD1 4.47Å; Y29-L32 PolarHBondContact O-N 3.47Å; Y29-S33 WeakPolarHBondContact O-CB 3.42Å; Y29-S33 PolarHBondContact O-N 3.23Å; Y29-F48 AromaticContact CE1-CE2 3.65Å; Y29-F48 HydrophobicContact CE1-CE2 3.65Å; Y29-F48 HydrophobicContact CE1-CZ 4.24Å; Y29-F48 AromaticContact CZ-CE2 3.86Å; Y29-Y63 AromaticContact CD1-CD1 3.49Å; Y29-Y63 HydrophobicContact CD1-CD1 3.49Å; Y29-Y63 VanDerWaalsContact CD1-CD1 3.49Å; Y29-Y63 AromaticContact CD1-CE1 3.66Å; Y29-Y63 HydrophobicContact CD1-CE1 3.66Å; Y29-Y63 HydrophobicContact CD1-CG 4.38Å; Y29-Y63 HydrophobicContact CE1-CD1 4.18Å; Y29-Y63 AromaticContact CE1-CE1 3.93Å; Y29-Y63 HydrophobicContact CE1-CE1 3.93Å; Y29-Y63 HydrophobicContact CG-CD1 4.37Å; Y29-V66 HydrophobicContact CD2-CB 3.94Å; Y29-V66 HydrophobicContact CD2-CG1 3.27Å; Y29-V66 HydrophobicContact CE2-CG1 3.71Å; Y29-V66 HydrophobicContact CG-CB 3.92Å; Y29-V66 HydrophobicContact CG-CG1 3.78Å; Y29-V66 HydrophobicContact CG-CG2 4.44Å; Y29-V69 HydrophobicContact CD2-CB 3.88Å; Y29-V69 HydrophobicContact CD2-CG1 4.32Å; Y29-V69 HydrophobicContact CD2-CG2 4.1Å; Y29-V69 HydrophobicContact CE2-CB 4Å; Y29-V69 HydrophobicContact CE2-CG1 3.98Å; Y29-V69 HydrophobicContact CE2-CG2 4.1Å; Y29-E97 VanDerWaalsContact CE2-OE2 3.27Å; Y29-E97 WeakPolarHBondContact CE2-OE2 3.28Å; Y29-E97 PolarHBondContact OH-OE1 3.12Å; Y29-E97 PolarHBondContact OH-OE2 3.33Å; Y29-H130 PolarHBondContact OH-CE1 3.41Å; Y29-H130 PolarHBondContact OH-NE2 3.38Å
30G92.6Very high93.9Very high13 Ų1358.2 Ų58.213%0.13426%0.261CS..Hα-helixtrans-60.2-41.6172.200000112N27 S33 R34N27-G30 WeakPolarHBondContact OD1-CA 3.43Å; N27-G30 PolarHBondContact OD1-N 2.73Å; N27-G30 VanDerWaalsContact OD1-N 3.07Å; G30-S33 PolarHBondContact O-OG 2.83Å; G30-R34 PolarHBondContact O-NH1 2.8Å
31H94.4Very high93.8Very high19 Ų1957.6 Ų57.69%0.08826%0.258CS..Hα-helixtrans-64.7-52.8173.6172.671.3000112.4L22 Y23 K25 N27 L28 Y29 S33 R34 E35L22-H31 PolarHBondContact O-NE2 3.45Å; Y23-H31 PolarHBondContact O-CD2 2.8Å; K25-H31 HydrophobicContact CB-CB 3.91Å; K25-H31 HydrophobicContact CG-CB 4.07Å; K25-H31 VanDerWaalsContact CG-CG 3.44Å; K25-H31 WeakPolarHBondContact CG-ND1 3.46Å; N27-H31 WeakPolarHBondContact O-CB 3.44Å; N27-H31 PolarHBondContact O-N 2.79Å; L28-H31 WeakPolarHBondContact O-CB 3.27Å; L28-H31 PolarHBondContact O-N 3.34Å; Y29-H31 VanDerWaalsContact C-N 3.3Å; Y29-H31 PolarHBondContact O-N 3.08Å; H31-S33 PolarHBondContact O-N 3.43Å; H31-R34 PolarHBondContact O-N 3.41Å; H31-E35 WeakPolarHBondContact CE1-CG 3.3Å; H31-E35 PolarHBondContact O-N 3.31Å
32L95.4Very high93.8Very high0 Ų053.5 Ų53.50%025%0.254CS..Hα-helixtrans-59.2-34.6-179.6-69.1179.5000112Y23 L28 Y29 R34 E35 A36 L39 Y63Y23-L32 HydrophobicContact CD2-CD2 3.61Å; Y23-L32 HydrophobicContact CE2-CD1 3.85Å; Y23-L32 HydrophobicContact CE2-CD2 3.64Å; Y23-L32 HydrophobicContact CE2-CG 4.4Å; Y23-L32 HydrophobicContact CG-CD2 4.42Å; Y23-L32 WeakPolarHBondContact O-CD2 3.34Å; L28-L32 HydrophobicContact CD1-CD1 3.91Å; L28-L32 HydrophobicContact CD1-CG 4.06Å; L28-L32 HydrophobicContact CG-CD1 3.94Å; L28-L32 HydrophobicContact CG-CG 4.38Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 3.37Å; Y29-L32 HydrophobicContact CD1-CD1 4.47Å; Y29-L32 PolarHBondContact O-N 3.47Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.92Å; L32-E35 PolarHBondContact O-N 3.28Å; L32-A36 WeakPolarHBondContact O-CA 3.45Å; L32-A36 VanDerWaalsContact O-CB 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 3.3Å; L32-L39 HydrophobicContact CD2-CD1 3.7Å; L32-Y63 HydrophobicContact CB-CD2 3.58Å; L32-Y63 HydrophobicContact CB-CE2 3.72Å; L32-Y63 HydrophobicContact CB-CG 4.2Å; L32-Y63 HydrophobicContact CD1-CD2 4.43Å; L32-Y63 HydrophobicContact CD1-CE1 4.34Å; L32-Y63 HydrophobicContact CD1-CE2 3.87Å; L32-Y63 HydrophobicContact CG-CE2 4.4Å
33S94.7Very high93.8Very high10 Ų1053 Ų537%0.0725%0.252CS..Hα-helixtrans-67.1-25176.779.30000114.6Y29 G30 H31Y29-S33 WeakPolarHBondContact O-CB 3.42Å; Y29-S33 PolarHBondContact O-N 3.23Å; G30-S33 PolarHBondContact O-OG 2.83Å; H31-S33 PolarHBondContact O-N 3.43Å
34R94.5Very high93.8Very high162 Ų16252.9 Ų52.961%0.61125%0.252SS*.Hα-helixtrans-87.4-36.8176.4-69.3-174.2-62.1-99.92.6111.6G30 H31 L32G30-R34 PolarHBondContact O-NH1 2.8Å; H31-R34 PolarHBondContact O-N 3.41Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.92Å
35E95.4Very high93.9Very high68 Ų6853.4 Ų53.432%0.31826%0.257SS..Hα-helixtrans-97.22.3-175-65.3-55.8141.700114.1H31 L32 E37 N38 L39H31-E35 WeakPolarHBondContact CE1-CG 3.3Å; H31-E35 PolarHBondContact O-N 3.31Å; L32-E35 PolarHBondContact O-N 3.28Å; E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 3.46Å; E35-N38 WeakPolarHBondContact O-CA 3.43Å; E35-N38 WeakPolarHBondContact O-CB 3.27Å; E35-N38 PolarHBondContact O-N 2.83Å; E35-N38 PolarHBondContact OE2-ND2 2.88Å; E35-L39 HydrophobicContact CB-CD1 3.68Å; E35-L39 HydrophobicContact CB-CG 3.99Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.45Å
36A94.7Very high94.2Very high1 Ų148.9 Ų48.91%0.00824%0.237CC..Hα-helixtrans-56.4-39.9-171.900000113.1L32 N38 L39 F40 V56 V60L32-A36 WeakPolarHBondContact O-CA 3.45Å; L32-A36 VanDerWaalsContact O-CB 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 3.3Å; A36-N38 PolarHBondContact O-N 3.37Å; A36-L39 PolarHBondContact O-N 3.43Å; A36-F40 HydrophobicContact CB-CD2 4.15Å; A36-F40 WeakPolarHBondContact O-CB 3.25Å; A36-F40 PolarHBondContact O-N 2.89Å; A36-V56 HydrophobicContact CB-CG2 3.84Å; A36-V60 HydrophobicContact CB-CG2 3.34Å
37E93.1Very high94.9Very high137 Ų13742 Ų4264%0.6421%0.214SC*.Hα-helixtrans-64.4-29.4178.2-64.6-177.6175.800112.7E35 V56 K122E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 3.46Å; E37-V56 HydrophobicContact CG-CG2 4.3Å; E37-K122 PolarHBondContact O-NZ 2.79Å; E37-K122 VanDerWaalsContact O-NZ 3.11Å
38N94.8Very high95.3Very high103 Ų10340 Ų4055%0.55120%0.203SC*.Hα-helixtrans-82.5-36.5176-65.7-32000111.8E35 A36 K122E35-N38 WeakPolarHBondContact O-CA 3.43Å; E35-N38 WeakPolarHBondContact O-CB 3.27Å; E35-N38 PolarHBondContact O-N 2.83Å; E35-N38 PolarHBondContact OE2-ND2 2.88Å; A36-N38 PolarHBondContact O-N 3.37Å; N38-K122 WeakPolarHBondContact O-CE 3.37Å
39L96.7Very high95.5Very high11 Ų1143.3 Ų43.36%0.05822%0.221CC..Hα-helixtrans-91.5-28.6-172.2-66.1175.8000114.3F19 L22 L32 E35 A36 K122 I123F19-L39 HydrophobicContact CE2-CD2 4.28Å; F19-L39 HydrophobicContact CZ-CD2 4.09Å; L22-L39 HydrophobicContact CB-CD2 4.05Å; L32-L39 HydrophobicContact CD2-CD1 3.7Å; E35-L39 HydrophobicContact CB-CD1 3.68Å; E35-L39 HydrophobicContact CB-CG 3.99Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.45Å; A36-L39 PolarHBondContact O-N 3.43Å; L39-K122 CarbonylContact O-C 3.59Å; L39-K122 WeakPolarHBondContact O-CA 3.4Å; L39-I123 HydrophobicContact CB-CD1 4.47Å; L39-I123 PolarHBondContact O-N 2.88Å
40F97Very high95.6Very high2 Ų246.4 Ų46.41%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-107.4149.2-176.3-69.5-103.1000111.6A36 A44 V56 I59 Y63 I123 A126A36-F40 HydrophobicContact CB-CD2 4.15Å; A36-F40 WeakPolarHBondContact O-CB 3.25Å; A36-F40 PolarHBondContact O-N 2.89Å; F40-A44 HydrophobicContact CB-CB 3.93Å; F40-A44 HydrophobicContact CD1-CB 3.76Å; F40-A44 HydrophobicContact CG-CB 4.34Å; F40-V56 HydrophobicContact CB-CG2 4.2Å; F40-I59 HydrophobicContact CD1-CD1 3.84Å; F40-I59 HydrophobicContact CE1-CD1 4.04Å; F40-I59 HydrophobicContact CE1-CG2 4.3Å; F40-I59 HydrophobicContact CE2-CG2 4.24Å; F40-I59 HydrophobicContact CG-CD1 4.49Å; F40-I59 HydrophobicContact CZ-CG2 4.09Å; F40-Y63 HydrophobicContact CE2-CE2 4.08Å; F40-Y63 AromaticContact CZ-CE2 3.9Å; F40-Y63 HydrophobicContact CZ-CE2 3.9Å; F40-I123 HydrophobicContact CD1-CB 3.71Å; F40-I123 HydrophobicContact CD1-CD1 4.25Å; F40-I123 HydrophobicContact CD1-CG2 3.6Å; F40-I123 HydrophobicContact CD2-CD1 4.16Å; F40-I123 HydrophobicContact CE1-CB 3.98Å; F40-I123 HydrophobicContact CE1-CD1 3.89Å; F40-I123 HydrophobicContact CE1-CG2 3.56Å; F40-I123 HydrophobicContact CE2-CD1 3.78Å; F40-I123 HydrophobicContact CG-CB 4.1Å; F40-I123 HydrophobicContact CG-CD1 4.39Å; F40-I123 HydrophobicContact CG-CG2 4.48Å; F40-I123 HydrophobicContact CZ-CD1 3.64Å; F40-I123 HydrophobicContact CZ-CG2 4.41Å; F40-A126 HydrophobicContact CE1-CB 4.25Å
41M95.5Very high95.8Very high20 Ų2051 Ų5110%0.09927%0.274CS..EExtended strand (participates in β ladder)trans-64.9150.3164-64.6-61.9-71.600109.7D43 A44 M115 N117 K122 I123 K124M41-D43 PolarHBondContact O-N 3.03Å; M41-D43 VanDerWaalsContact O-N 3.14Å; M41-A44 HydrophobicContact CB-CB 4.29Å; M41-A44 WeakPolarHBondContact O-CB 3.41Å; M41-A44 PolarHBondContact O-N 3.31Å; M41-M115 HydrophobicContact CE-SD 4.08Å; M41-N117 HydrophobicContact CE-CB 4.34Å; M41-N117 HydrophobicContact SD-CB 3.88Å; M41-K122 HydrophobicContact CG-CB 4.04Å; M41-K122 HydrophobicContact SD-CB 3.68Å; M41-K122 HydrophobicContact SD-CD 4.01Å; M41-K122 HydrophobicContact SD-CG 4.34Å; M41-I123 PolarHBondContact N-O 3.47Å; M41-K124 HydrophobicContact CB-CD 4.31Å; M41-K124 HydrophobicContact CG-CB 4.44Å; M41-K124 HydrophobicContact CG-CD 4.12Å
42P93.5Very high95.9Very high92 Ų9256.2 Ų56.260%0.59730%0.298SS*.EExtended strand (participates in β ladder)trans-55.5-34.6179.6-27.135.3000113.7V56P42-V56 PolarHBondContact O-N 3.47Å
43D94.4Very high96Very high91 Ų9157.9 Ų57.949%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-101.221.9179.671.2-23.4000113.1M41 K124M41-D43 PolarHBondContact O-N 3.03Å; M41-D43 VanDerWaalsContact O-N 3.14Å; D43-K124 IonicContact OD1-NZ 3.78Å; D43-K124 PolarHBondContact OD1-NZ 3.38Å; D43-K124 IonicContact OD2-NZ 2.72Å; D43-K124 PolarHBondContact OD2-NZ 3.14Å
44A96.6Very high96Very high0 Ų060.7 Ų60.70%032%0.324CS..EExtended strand (participates in β ladder)trans-63.3152.5179.400000112.4F40 M41 S55 I59 I123 K124F40-A44 HydrophobicContact CB-CB 3.93Å; F40-A44 HydrophobicContact CD1-CB 3.76Å; F40-A44 HydrophobicContact CG-CB 4.34Å; M41-A44 HydrophobicContact CB-CB 4.29Å; M41-A44 WeakPolarHBondContact O-CB 3.41Å; M41-A44 PolarHBondContact O-N 3.31Å; A44-S55 PolarHBondContact O-N 2.99Å; A44-I59 HydrophobicContact CB-CD1 4.38Å; A44-I123 WeakPolarHBondContact CB-O 3.35Å; A44-K124 WeakPolarHBondContact CA-O 3.32Å
45V97.8Very high95.9Very high41 Ų4154.6 Ų54.625%0.24831%0.306CS..EExtended strand (participates in β ladder)trans-114.8132.3175.6-179.50000109.4I47 Q52 K124 S125 A126V45-I47 HydrophobicContact CG1-CG1 4.41Å; V45-Q52 HydrophobicContact CG1-CG 3.88Å; V45-K124 PolarHBondContact N-O 3.31Å; V45-S125 CarbonylContact O-C 3.57Å; V45-S125 VanDerWaalsContact O-CA 3.32Å; V45-S125 WeakPolarHBondContact O-CA 3.33Å; V45-A126 PolarHBondContact O-N 2.99Å
46L98.2Very high95.8Very high0 Ų051.9 Ų51.90%029%0.294CS..EExtended strand (participates in β ladder)trans-115127.9170.3170.563.9000109F48 Q52 L53 I59 F62 Y63 A126 V128L46-F48 HydrophobicContact CG-CB 4.3Å; L46-Q52 CarbonylContact O-C 3.51Å; L46-Q52 WeakPolarHBondContact O-CA 3.49Å; L46-L53 HydrophobicContact CB-CB 4.3Å; L46-L53 HydrophobicContact CD2-CD1 3.85Å; L46-L53 HydrophobicContact CG-CD1 4.37Å; L46-L53 PolarHBondContact N-O 3.38Å; L46-L53 PolarHBondContact O-N 3.5Å; L46-I59 HydrophobicContact CB-CD1 3.86Å; L46-I59 HydrophobicContact CB-CG1 3.83Å; L46-I59 HydrophobicContact CD2-CG1 4.21Å; L46-I59 HydrophobicContact CD2-CG2 4.08Å; L46-F62 HydrophobicContact CD2-CD1 4.2Å; L46-Y63 HydrophobicContact CD2-CE1 3.75Å; L46-Y63 HydrophobicContact CD2-CE2 4.24Å; L46-Y63 WeakPolarHBondContact CD2-OH 3.3Å; L46-A126 CarbonylContact C-O 3.58Å; L46-A126 WeakPolarHBondContact CA-O 3.01Å; L46-A126 HydrophobicContact CD1-CB 3.84Å; L46-V128 HydrophobicContact CD1-CG2 3.97Å
47I98.2Very high95.8Very high52 Ų5257.1 Ų57.127%0.26732%0.319SS..EExtended strand (participates in β ladder)trans-108.4108.7167.8-57.3175.6000107.3V45 N51 A126 I127 V128V45-I47 HydrophobicContact CG1-CG1 4.41Å; I47-N51 CarbonylContact C-O 3.56Å; I47-N51 WeakPolarHBondContact CA-O 3.39Å; I47-A126 PolarHBondContact N-O 3.43Å; I47-I127 HydrophobicContact CB-CG1 4.3Å; I47-I127 HydrophobicContact CB-CG2 4.5Å; I47-I127 HydrophobicContact CD1-CG1 4.37Å; I47-I127 CarbonylContact O-C 3.58Å; I47-I127 WeakPolarHBondContact O-CA 3.45Å; I47-V128 PolarHBondContact O-N 2.65Å
48F97.1Very high95.9Very high17 Ų1753.7 Ų53.78%0.07531%0.305CS..EExtended strand (participates in β ladder)trans-112.7109.2-177.8-165.9-77.6000110.1Y29 L46 G50 N51 F62 Y63 V128 H130Y29-F48 AromaticContact CE1-CE2 3.65Å; Y29-F48 HydrophobicContact CE1-CE2 3.65Å; Y29-F48 HydrophobicContact CE1-CZ 4.24Å; Y29-F48 AromaticContact CZ-CE2 3.86Å; L46-F48 HydrophobicContact CG-CB 4.3Å; F48-G50 PolarHBondContact O-N 3.49Å; F48-G50 VanDerWaalsContact O-N 3.14Å; F48-N51 PolarHBondContact N-O 2.9Å; F48-N51 WeakPolarHBondContact O-CB 3.32Å; F48-N51 PolarHBondContact O-N 3Å; F48-N51 PolarHBondContact O-ND2 3.3Å; F48-F62 HydrophobicContact CB-CE1 3.98Å; F48-F62 HydrophobicContact CB-CZ 4.05Å; F48-F62 AromaticContact CD1-CE1 3.87Å; F48-F62 HydrophobicContact CD1-CE1 3.87Å; F48-F62 AromaticContact CD1-CZ 3.42Å; F48-F62 HydrophobicContact CD1-CZ 3.42Å; F48-F62 VanDerWaalsContact CD1-CZ 3.42Å; F48-F62 AromaticContact CD2-CE1 3.44Å; F48-F62 HydrophobicContact CD2-CE1 3.44Å; F48-F62 VanDerWaalsContact CD2-CE1 3.44Å; F48-F62 AromaticContact CD2-CZ 3.92Å; F48-F62 HydrophobicContact CD2-CZ 3.92Å; F48-F62 HydrophobicContact CE1-CE1 4.13Å; F48-F62 AromaticContact CE1-CZ 3.67Å; F48-F62 HydrophobicContact CE1-CZ 3.67Å; F48-F62 AromaticContact CE2-CE1 3.72Å; F48-F62 HydrophobicContact CE2-CE1 3.72Å; F48-F62 HydrophobicContact CE2-CZ 4.14Å; F48-F62 AromaticContact CG-CE1 3.48Å; F48-F62 HydrophobicContact CG-CE1 3.48Å; F48-F62 VanDerWaalsContact CG-CE1 3.48Å; F48-F62 AromaticContact CG-CZ 3.51Å; F48-F62 HydrophobicContact CG-CZ 3.51Å; F48-F62 HydrophobicContact CZ-CE1 4.01Å; F48-F62 AromaticContact CZ-CZ 3.98Å; F48-F62 HydrophobicContact CZ-CZ 3.98Å; F48-Y63 HydrophobicContact CD2-CE1 4.41Å; F48-Y63 HydrophobicContact CE2-CE1 4.42Å; F48-V128 HydrophobicContact CD2-CB 3.74Å; F48-V128 HydrophobicContact CD2-CG1 3.92Å; F48-V128 HydrophobicContact CD2-CG2 4.31Å; F48-V128 HydrophobicContact CE2-CB 4.13Å; F48-V128 HydrophobicContact CE2-CG1 3.77Å; F48-V128 HydrophobicContact CG-CB 4.47Å; F48-H130 AromaticContact CE1-CE1 3.65Å; F48-H130 AromaticContact CE1-ND1 3.98Å; F48-H130 AromaticContact CE2-CE1 3.95Å; F48-H130 AromaticContact CZ-CE1 3.27Å; F48-H130 WeakPolarHBondContact CZ-CE1 3.22Å
49D96.5Very high96Very high70 Ų7048.8 Ų48.837%0.37428%0.278SS..THydrogen-bonded Turntrans49.337.8-174.1-66.3-38.1000113.2N51 V128 R129 H130D49-N51 VanDerWaalsContact C-N 3.33Å; D49-V128 PolarHBondContact N-O 2.73Å; D49-R129 WeakPolarHBondContact OD1-CA 3.05Å; D49-H130 IonicContact OD1-CG 3.59Å; D49-H130 PolarHBondContact OD1-N 2.59Å; D49-H130 IonicContact OD1-ND1 2.78Å; D49-H130 PolarHBondContact OD1-ND1 2.8Å; D49-H130 IonicContact OD2-CE1 3.29Å; D49-H130 IonicContact OD2-CG 3.27Å; D49-H130 IonicContact OD2-ND1 3.69Å; D49-H130 PolarHBondContact OD2-ND1 3.06Å
50G96.3Very high95.9Very high65 Ų6548.9 Ų48.967%0.6728%0.28SS*.THydrogen-bonded Turntrans87.6-9.7-178.300000115.1F48F48-G50 PolarHBondContact O-N 3.49Å; F48-G50 VanDerWaalsContact O-N 3.14Å
51N96.5Very high95.9Very high109 Ų10955 Ų5558%0.58331%0.308SS*.EExtended strand (participates in β ladder)trans-84.8121.7175-57.9-73.7000110.2I47 F48 D49I47-N51 CarbonylContact C-O 3.56Å; I47-N51 WeakPolarHBondContact CA-O 3.39Å; F48-N51 PolarHBondContact N-O 2.9Å; F48-N51 WeakPolarHBondContact O-CB 3.32Å; F48-N51 PolarHBondContact O-N 3Å; F48-N51 PolarHBondContact O-ND2 3.3Å; D49-N51 VanDerWaalsContact C-N 3.33Å
52Q97.7Very high95.9Very high129 Ų12956.3 Ų56.360%0.60331%0.313SS*.EExtended strand (participates in β ladder)trans-89130.1-180-173.2179.2-51.300111.4V45 L46 T54V45-Q52 HydrophobicContact CG1-CG 3.88Å; L46-Q52 CarbonylContact O-C 3.51Å; L46-Q52 WeakPolarHBondContact O-CA 3.49Å; Q52-T54 HydrophobicContact CG-CG2 4.33Å
53L97.1Very high96Very high35 Ų3551.9 Ų51.918%0.18329%0.285CS..EExtended strand (participates in β ladder)trans-118.6127.7171.5-63.3160.9000108.2L46 N58 I59 F62L46-L53 HydrophobicContact CB-CB 4.3Å; L46-L53 HydrophobicContact CD2-CD1 3.85Å; L46-L53 HydrophobicContact CG-CD1 4.37Å; L46-L53 PolarHBondContact N-O 3.38Å; L46-L53 PolarHBondContact O-N 3.5Å; L53-N58 HydrophobicContact CD2-CB 4.39Å; L53-I59 HydrophobicContact CB-CG1 4.25Å; L53-F62 HydrophobicContact CD1-CB 3.46Å; L53-F62 VanDerWaalsContact CD1-CB 3.46Å; L53-F62 HydrophobicContact CD1-CD1 3.55Å; L53-F62 HydrophobicContact CD1-CD2 3.86Å; L53-F62 HydrophobicContact CD1-CE1 4.29Å; L53-F62 HydrophobicContact CD1-CG 3.31Å; L53-F62 HydrophobicContact CD2-CB 4.37Å
54T94.5Very high95.9Very high70 Ų7055.9 Ų55.943%0.42929%0.293SS..EExtended strand (participates in β ladder)trans-111.4144.8176.356.30000109Q52 N58Q52-T54 HydrophobicContact CG-CG2 4.33Å; T54-N58 WeakPolarHBondContact O-CB 3.32Å; T54-N58 PolarHBondContact O-ND2 3.4Å
55S91.8Very high95.7Very high33 Ų3359.7 Ų59.723%0.23132%0.32CS..SBendtrans75.4145.9-174.482.30000115.2A44 Q57 N58 I59A44-S55 PolarHBondContact O-N 2.99Å; S55-Q57 VanDerWaalsContact C-N 3.25Å; S55-Q57 PolarHBondContact O-N 3.49Å; S55-Q57 PolarHBondContact OG-OE1 2.96Å; S55-N58 PolarHBondContact O-N 3.29Å; S55-N58 PolarHBondContact OG-ND2 2.89Å; S55-I59 WeakPolarHBondContact O-CG1 3.46Å; S55-I59 PolarHBondContact O-N 3.42Å
56V94.4Very high95.2Very high11 Ų1159.4 Ų59.47%0.06732%0.318CS..Hα-helixtrans-61.7-32.8177.9690000112.4A36 E37 F40 P42 N58 I59 V60A36-V56 HydrophobicContact CB-CG2 3.84Å; E37-V56 HydrophobicContact CG-CG2 4.3Å; F40-V56 HydrophobicContact CB-CG2 4.2Å; P42-V56 PolarHBondContact O-N 3.47Å; V56-N58 PolarHBondContact O-N 2.66Å; V56-I59 PolarHBondContact O-N 3.36Å; V56-V60 HydrophobicContact CG2-CG2 4.49Å; V56-V60 VanDerWaalsContact O-CG2 3.31Å; V56-V60 WeakPolarHBondContact O-CG2 3.33Å; V56-V60 PolarHBondContact O-N 3.37Å
57Q94.9Very high94.1Very high111 Ų11167.9 Ų67.952%0.51935%0.35SS..Hα-helixtrans-64.2-43.7-179.8-63.885.8-400111.9S55 I59 V60 Q61S55-Q57 VanDerWaalsContact C-N 3.25Å; S55-Q57 PolarHBondContact O-N 3.49Å; S55-Q57 PolarHBondContact OG-OE1 2.96Å; Q57-I59 VanDerWaalsContact C-N 3.35Å; Q57-V60 PolarHBondContact O-N 3.06Å; Q57-Q61 WeakPolarHBondContact O-CG 3.43Å; Q57-Q61 PolarHBondContact O-N 2.84Å
58N95.7Very high93.4Very high65 Ų6569.8 Ų69.835%0.34836%0.361SS..Hα-helixtrans-67.9-37.4177.5-69.4-21.9000111.5L53 T54 S55 V56 Q61 F62L53-N58 HydrophobicContact CD2-CB 4.39Å; T54-N58 WeakPolarHBondContact O-CB 3.32Å; T54-N58 PolarHBondContact O-ND2 3.4Å; S55-N58 PolarHBondContact O-N 3.29Å; S55-N58 PolarHBondContact OG-ND2 2.89Å; V56-N58 PolarHBondContact O-N 2.66Å; N58-Q61 PolarHBondContact O-N 2.8Å; N58-F62 VanDerWaalsContact O-CB 3.28Å; N58-F62 WeakPolarHBondContact O-CB 3.44Å; N58-F62 PolarHBondContact O-N 2.81Å
59I96.6Very high93.1Very high0 Ų069.7 Ų69.70%036%0.361CS..Hα-helixtrans-61.7-45.6174.9-66.5169.8000110.6F40 A44 L46 L53 S55 V56 Q57 F62 Y63F40-I59 HydrophobicContact CD1-CD1 3.84Å; F40-I59 HydrophobicContact CE1-CD1 4.04Å; F40-I59 HydrophobicContact CE1-CG2 4.3Å; F40-I59 HydrophobicContact CE2-CG2 4.24Å; F40-I59 HydrophobicContact CG-CD1 4.49Å; F40-I59 HydrophobicContact CZ-CG2 4.09Å; A44-I59 HydrophobicContact CB-CD1 4.38Å; L46-I59 HydrophobicContact CB-CD1 3.86Å; L46-I59 HydrophobicContact CB-CG1 3.83Å; L46-I59 HydrophobicContact CD2-CG1 4.21Å; L46-I59 HydrophobicContact CD2-CG2 4.08Å; L53-I59 HydrophobicContact CB-CG1 4.25Å; S55-I59 WeakPolarHBondContact O-CG1 3.46Å; S55-I59 PolarHBondContact O-N 3.42Å; V56-I59 PolarHBondContact O-N 3.36Å; Q57-I59 VanDerWaalsContact C-N 3.35Å; I59-F62 PolarHBondContact O-N 2.98Å; I59-Y63 HydrophobicContact CG2-CD2 3.56Å; I59-Y63 HydrophobicContact CG2-CE2 3.32Å; I59-Y63 PolarHBondContact O-N 2.83Å
60V94.9Very high92.9Very high14 Ų1467.9 Ų67.99%0.08535%0.353CS..Hα-helixtrans-57.1-53.4175.3168.80000110.8A36 V56 Q57 F62 Y63 R64A36-V60 HydrophobicContact CB-CG2 3.34Å; V56-V60 HydrophobicContact CG2-CG2 4.49Å; V56-V60 VanDerWaalsContact O-CG2 3.31Å; V56-V60 WeakPolarHBondContact O-CG2 3.33Å; V56-V60 PolarHBondContact O-N 3.37Å; Q57-V60 PolarHBondContact O-N 3.06Å; V60-F62 VanDerWaalsContact C-N 3.3Å; V60-F62 PolarHBondContact O-N 3.43Å; V60-Y63 PolarHBondContact O-N 3.36Å; V60-R64 WeakPolarHBondContact O-CG 3.19Å; V60-R64 PolarHBondContact O-N 2.84Å
61Q95.2Very high92.8Very high129 Ų12965.4 Ų65.460%0.60333%0.325SS*.Hα-helixtrans-60.1-42.4-178.4-71.8179.3-0.400111.6Q57 N58 R64 S65Q57-Q61 WeakPolarHBondContact O-CG 3.43Å; Q57-Q61 PolarHBondContact O-N 2.84Å; N58-Q61 PolarHBondContact O-N 2.8Å; Q61-R64 PolarHBondContact O-N 2.9Å; Q61-S65 PolarHBondContact O-N 2.88Å
62F95.9Very high92.8Very high48 Ų4866.8 Ų66.821%0.21133%0.328CS..Hα-helixtrans-61.9-52.8176.8175.3-101.5000111.6L46 F48 L53 N58 I59 V60 R64 S65 V66L46-F62 HydrophobicContact CD2-CD1 4.2Å; F48-F62 HydrophobicContact CB-CE1 3.98Å; F48-F62 HydrophobicContact CB-CZ 4.05Å; F48-F62 AromaticContact CD1-CE1 3.87Å; F48-F62 HydrophobicContact CD1-CE1 3.87Å; F48-F62 AromaticContact CD1-CZ 3.42Å; F48-F62 HydrophobicContact CD1-CZ 3.42Å; F48-F62 VanDerWaalsContact CD1-CZ 3.42Å; F48-F62 AromaticContact CD2-CE1 3.44Å; F48-F62 HydrophobicContact CD2-CE1 3.44Å; F48-F62 VanDerWaalsContact CD2-CE1 3.44Å; F48-F62 AromaticContact CD2-CZ 3.92Å; F48-F62 HydrophobicContact CD2-CZ 3.92Å; F48-F62 HydrophobicContact CE1-CE1 4.13Å; F48-F62 AromaticContact CE1-CZ 3.67Å; F48-F62 HydrophobicContact CE1-CZ 3.67Å; F48-F62 AromaticContact CE2-CE1 3.72Å; F48-F62 HydrophobicContact CE2-CE1 3.72Å; F48-F62 HydrophobicContact CE2-CZ 4.14Å; F48-F62 AromaticContact CG-CE1 3.48Å; F48-F62 HydrophobicContact CG-CE1 3.48Å; F48-F62 VanDerWaalsContact CG-CE1 3.48Å; F48-F62 AromaticContact CG-CZ 3.51Å; F48-F62 HydrophobicContact CG-CZ 3.51Å; F48-F62 HydrophobicContact CZ-CE1 4.01Å; F48-F62 AromaticContact CZ-CZ 3.98Å; F48-F62 HydrophobicContact CZ-CZ 3.98Å; L53-F62 HydrophobicContact CD1-CB 3.46Å; L53-F62 VanDerWaalsContact CD1-CB 3.46Å; L53-F62 HydrophobicContact CD1-CD1 3.55Å; L53-F62 HydrophobicContact CD1-CD2 3.86Å; L53-F62 HydrophobicContact CD1-CE1 4.29Å; L53-F62 HydrophobicContact CD1-CG 3.31Å; L53-F62 HydrophobicContact CD2-CB 4.37Å; N58-F62 VanDerWaalsContact O-CB 3.28Å; N58-F62 WeakPolarHBondContact O-CB 3.44Å; N58-F62 PolarHBondContact O-N 2.81Å; I59-F62 PolarHBondContact O-N 2.98Å; V60-F62 VanDerWaalsContact C-N 3.3Å; V60-F62 PolarHBondContact O-N 3.43Å; F62-R64 VanDerWaalsContact C-N 3.25Å; F62-R64 PolarHBondContact O-N 3.14Å; F62-S65 WeakPolarHBondContact O-CA 3.34Å; F62-S65 WeakPolarHBondContact O-CB 3.47Å; F62-S65 PolarHBondContact O-N 3.21Å; F62-S65 PolarHBondContact O-OG 2.83Å; F62-V66 HydrophobicContact CD1-CG2 4.4Å; F62-V66 HydrophobicContact CE1-CG2 3.87Å; F62-V66 HydrophobicContact CE2-CG2 4.49Å; F62-V66 HydrophobicContact CZ-CG2 3.92Å; F62-V66 PolarHBondContact O-N 3.03Å
63Y95.1Very high92.7Very high0 Ų062.7 Ų62.70%031%0.312CS..Hα-helixtrans-62.4-29.5179.9-73-33.2000113.5Y29 L32 F40 L46 F48 I59 V60 S65 V66Y29-Y63 AromaticContact CD1-CD1 3.49Å; Y29-Y63 HydrophobicContact CD1-CD1 3.49Å; Y29-Y63 VanDerWaalsContact CD1-CD1 3.49Å; Y29-Y63 AromaticContact CD1-CE1 3.66Å; Y29-Y63 HydrophobicContact CD1-CE1 3.66Å; Y29-Y63 HydrophobicContact CD1-CG 4.38Å; Y29-Y63 HydrophobicContact CE1-CD1 4.18Å; Y29-Y63 AromaticContact CE1-CE1 3.93Å; Y29-Y63 HydrophobicContact CE1-CE1 3.93Å; Y29-Y63 HydrophobicContact CG-CD1 4.37Å; L32-Y63 HydrophobicContact CB-CD2 3.58Å; L32-Y63 HydrophobicContact CB-CE2 3.72Å; L32-Y63 HydrophobicContact CB-CG 4.2Å; L32-Y63 HydrophobicContact CD1-CD2 4.43Å; L32-Y63 HydrophobicContact CD1-CE1 4.34Å; L32-Y63 HydrophobicContact CD1-CE2 3.87Å; L32-Y63 HydrophobicContact CG-CE2 4.4Å; F40-Y63 HydrophobicContact CE2-CE2 4.08Å; F40-Y63 AromaticContact CZ-CE2 3.9Å; F40-Y63 HydrophobicContact CZ-CE2 3.9Å; L46-Y63 HydrophobicContact CD2-CE1 3.75Å; L46-Y63 HydrophobicContact CD2-CE2 4.24Å; L46-Y63 WeakPolarHBondContact CD2-OH 3.3Å; F48-Y63 HydrophobicContact CD2-CE1 4.41Å; F48-Y63 HydrophobicContact CE2-CE1 4.42Å; I59-Y63 HydrophobicContact CG2-CD2 3.56Å; I59-Y63 HydrophobicContact CG2-CE2 3.32Å; I59-Y63 PolarHBondContact O-N 2.83Å; V60-Y63 PolarHBondContact O-N 3.36Å; Y63-S65 VanDerWaalsContact C-N 3.25Å; Y63-S65 PolarHBondContact O-N 2.84Å; Y63-V66 PolarHBondContact O-N 3.16Å
64R92.7Very high92.6Very high174 Ų17465.5 Ų65.566%0.65733%0.327SS*.Hα-helixtrans-65.9-27.6171-70.7-178-173.81702.9113.3V60 Q61 F62V60-R64 WeakPolarHBondContact O-CG 3.19Å; V60-R64 PolarHBondContact O-N 2.84Å; Q61-R64 PolarHBondContact O-N 2.9Å; F62-R64 VanDerWaalsContact C-N 3.25Å; F62-R64 PolarHBondContact O-N 3.14Å
65S92.2Very high92.7Very high81 Ų8167.1 Ų67.157%0.56633%0.329SS*.Hα-helixtrans-83.2-21.5-179.1770000113.1Q61 F62 Y63 R67Q61-S65 PolarHBondContact O-N 2.88Å; F62-S65 WeakPolarHBondContact O-CA 3.34Å; F62-S65 WeakPolarHBondContact O-CB 3.47Å; F62-S65 PolarHBondContact O-N 3.21Å; F62-S65 PolarHBondContact O-OG 2.83Å; Y63-S65 VanDerWaalsContact C-N 3.25Å; Y63-S65 PolarHBondContact O-N 2.84Å; S65-R67 PolarHBondContact O-N 3.44Å
66V88.7Confident93Very high35 Ų3567.7 Ų67.721%0.21233%0.332CS..SBendtrans-72.6120.7172.8-169.90000108.7Y29 F62 Y63 V69Y29-V66 HydrophobicContact CD2-CB 3.94Å; Y29-V66 HydrophobicContact CD2-CG1 3.27Å; Y29-V66 HydrophobicContact CE2-CG1 3.71Å; Y29-V66 HydrophobicContact CG-CB 3.92Å; Y29-V66 HydrophobicContact CG-CG1 3.78Å; Y29-V66 HydrophobicContact CG-CG2 4.44Å; F62-V66 HydrophobicContact CD1-CG2 4.4Å; F62-V66 HydrophobicContact CE1-CG2 3.87Å; F62-V66 HydrophobicContact CE2-CG2 4.49Å; F62-V66 HydrophobicContact CZ-CG2 3.92Å; F62-V66 PolarHBondContact O-N 3.03Å; Y63-V66 PolarHBondContact O-N 3.16Å; V66-V69 HydrophobicContact CG1-CG2 4.28Å
67R73.9Confident93.1Very high178 Ų17870.6 Ų70.667%0.67235%0.347SS*.  trans-69.8179.6-174.4-63.7-176.3179.2-172.7-0.1112.1S65 V69S65-R67 PolarHBondContact O-N 3.44Å; R67-V69 WeakPolarHBondContact O-CG2 3.18Å; R67-V69 PolarHBondContact O-N 3.22Å
68N84.1Confident93.2Very high91 Ų9166.1 Ų66.149%0.48733%0.33SS..  trans-53.595.4-178.9-65.8-21.7000112E100N68-E100 HydrophobicContact CB-CB 4.2Å; N68-E100 HydrophobicContact CB-CG 4.39Å; N68-E100 WeakPolarHBondContact CB-OE2 3.37Å; N68-E100 WeakPolarHBondContact O-CB 3.18Å; N68-E100 WeakPolarHBondContact O-CG 3.36Å; N68-E100 PolarHBondContact O-N 2.82Å
69V90.6Very high93.2Very high15 Ų1568.6 Ų68.69%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-109.9124.6174.2171.40000107.7Y29 V66 R67 E97 V98Y29-V69 HydrophobicContact CD2-CB 3.88Å; Y29-V69 HydrophobicContact CD2-CG1 4.32Å; Y29-V69 HydrophobicContact CD2-CG2 4.1Å; Y29-V69 HydrophobicContact CE2-CB 4Å; Y29-V69 HydrophobicContact CE2-CG1 3.98Å; Y29-V69 HydrophobicContact CE2-CG2 4.1Å; V66-V69 HydrophobicContact CG1-CG2 4.28Å; R67-V69 WeakPolarHBondContact O-CG2 3.18Å; R67-V69 PolarHBondContact O-N 3.22Å; V69-E97 HydrophobicContact CG1-CB 3.66Å; V69-E97 HydrophobicContact CG1-CG 3.98Å; V69-V98 WeakPolarHBondContact CA-O 3.38Å
70T92.9Very high93Very high32 Ų3269.8 Ų69.820%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-87.6141.8165.354.20000109.7R26 E97 V98 E100R26-T70 HydrophobicContact CG-CG2 4.23Å; R26-T70 VanDerWaalsContact O-CA 3.31Å; R26-T70 WeakPolarHBondContact O-CA 3.23Å; T70-E97 CarbonylContact O-C 3.57Å; T70-E97 VanDerWaalsContact O-CA 3.24Å; T70-E97 WeakPolarHBondContact O-CA 3.42Å; T70-V98 PolarHBondContact N-O 2.77Å; T70-V98 PolarHBondContact O-N 2.98Å; T70-E100 HydrophobicContact CG2-CG 4.15Å; T70-E100 WeakPolarHBondContact CG2-OE1 3.45Å
71S94.5Very high92.7Very high13 Ų1372.4 Ų72.49%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-133138-177.1-176.90000110.3H24 R26 T95 I96H24-S71 PolarHBondContact CE1-O 2.9Å; H24-S71 VanDerWaalsContact NE2-CB 3.34Å; H24-S71 WeakPolarHBondContact NE2-CB 3.46Å; H24-S71 PolarHBondContact NE2-O 3.34Å; H24-S71 PolarHBondContact NE2-OG 3.04Å; R26-S71 PolarHBondContact O-N 3.36Å; S71-T95 WeakPolarHBondContact OG-CB 3.35Å; S71-I96 CarbonylContact C-O 3.56Å; S71-I96 VanDerWaalsContact CA-O 3.32Å; S71-I96 WeakPolarHBondContact CA-O 3.31Å
72E94.9Very high92Very high138 Ų13872 Ų7265%0.64535%0.351SS*.EExtended strand (participates in β ladder)trans-125.4131.8172.8-177.6179-179.200109.8T95 I96E72-T95 CarbonylContact O-C 3.56Å; E72-T95 WeakPolarHBondContact O-CA 3.38Å; E72-T95 VanDerWaalsContact O-CB 3.28Å; E72-T95 WeakPolarHBondContact O-CB 3.3Å; E72-I96 PolarHBondContact N-O 3.39Å; E72-I96 PolarHBondContact O-N 2.83Å
73V96.4Very high90.7Very high44 Ų4481 Ų8127%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-81.8123.2177.8-177.60000110.2L20 H24 V93 T95L20-V73 HydrophobicContact CD1-CG2 4.12Å; L20-V73 HydrophobicContact CD2-CG1 4.22Å; H24-V73 HydrophobicContact CB-CG2 4.19Å; V73-V93 HydrophobicContact CG1-CG1 3.85Å; V73-V93 HydrophobicContact CG2-CG1 4.26Å; V73-T95 HydrophobicContact CG2-CG2 4.18Å
74I95.7Very high89.4Confident94 Ų9483.9 Ų83.948%0.48240%0.402SS..EExtended strand (participates in β ladder)trans-96.6-35.6176.2-43.7169000110.9V94 I96I74-V94 HydrophobicContact CD1-CG1 4.13Å; I74-V94 PolarHBondContact N-O 3Å; I74-I96 HydrophobicContact CD1-CB 4.43Å; I74-I96 HydrophobicContact CD1-CD1 3.36Å; I74-I96 HydrophobicContact CD1-CG1 3.35Å; I74-I96 HydrophobicContact CG1-CD1 4.4Å; I74-I96 HydrophobicContact CG1-CG1 3.86Å
75H96.2Very high88.3Confident104 Ų10485.6 Ų85.648%0.48142%0.417SS..EExtended strand (participates in β ladder)trans-150.5146.2-173.9-173.972.1000111.2V93 V94H75-V93 WeakPolarHBondContact O-CA 3.34Å; H75-V94 HydrophobicContact CB-CB 4.08Å; H75-V94 HydrophobicContact CB-CG2 4.18Å; H75-V94 PolarHBondContact N-O 3.25Å; H75-V94 PolarHBondContact O-N 3.41Å
76C97.1Very high87.5Confident44 Ų4485.4 Ų85.430%0.29741%0.408SS..EExtended strand (participates in β ladder)trans-143129.7171.8-176.90000108.8L20 M91 A92L20-C76 HydrophobicContact CD2-CB 4.01Å; C76-M91 WeakPolarHBondContact SG-CE 3.36Å; C76-A92 CarbonylContact C-O 3.54Å; C76-A92 VanDerWaalsContact CA-O 3.27Å; C76-A92 WeakPolarHBondContact CA-O 3.2Å
77D97.2Very high87.3Confident72 Ų7286 Ų8639%0.38541%0.413SS..EExtended strand (participates in β ladder)trans-129.4156.3171.2-175.446.7000109.8Q79 M91 A92D77-Q79 PolarHBondContact OD2-NE2 2.91Å; D77-M91 CarbonylContact O-C 3.56Å; D77-M91 WeakPolarHBondContact O-CA 3.37Å; D77-A92 PolarHBondContact N-O 2.95Å; D77-A92 PolarHBondContact O-N 3.33Å
78A97Very high88.2Confident18 Ų1880.2 Ų80.215%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-151.8145.7176.200000114A12 A16 V89 V90A12-A78 HydrophobicContact CB-CB 4.23Å; A16-A78 HydrophobicContact CB-CB 3.34Å; A78-V89 HydrophobicContact CB-CG1 4.07Å; A78-V90 CarbonylContact C-O 3.55Å; A78-V90 WeakPolarHBondContact CA-O 3.26Å
79Q94.7Very high88.7Confident116 Ų11675.9 Ų75.954%0.54237%0.368SS..EExtended strand (participates in β ladder)trans-136139.8-177.3-60.7179.213.300110.5D77 V89 V90D77-Q79 PolarHBondContact OD2-NE2 2.91Å; Q79-V89 CarbonylContact O-C 3.59Å; Q79-V89 WeakPolarHBondContact O-CA 3.45Å; Q79-V90 PolarHBondContact N-O 2.82Å; Q79-V90 PolarHBondContact O-N 2.92Å
80L92.9Very high89Confident25 Ų2576.8 Ų76.813%0.13137%0.374CS..EExtended strand (participates in β ladder)trans-86.9127.9173-164.677000109.9D8 I11 A12 R82 P87 Y88 V89D8-L80 HydrophobicContact CB-CB 4.15Å; D8-L80 HydrophobicContact CB-CD2 3.98Å; D8-L80 VanDerWaalsContact CG-CD2 3.5Å; D8-L80 WeakPolarHBondContact OD1-CD2 3.37Å; I11-L80 HydrophobicContact CG2-CD1 4.33Å; A12-L80 HydrophobicContact CB-CB 4.35Å; L80-R82 HydrophobicContact CD2-CG 3.99Å; L80-R82 HydrophobicContact CG-CG 4.45Å; L80-P87 HydrophobicContact CD1-CB 3.97Å; L80-P87 HydrophobicContact CD1-CG 4.5Å; L80-P87 HydrophobicContact CD2-CB 4.34Å; L80-P87 HydrophobicContact CG-CB 4.11Å; L80-Y88 CarbonylContact C-O 3.57Å; L80-Y88 WeakPolarHBondContact CA-O 3.47Å; L80-V89 HydrophobicContact CD1-CG2 3.64Å
81L89.9Confident89.2Confident70 Ų7075.3 Ų75.337%0.36637%0.365SS..EExtended strand (participates in β ladder)trans-106.1108.3172.1-63.6-175.3000110.2R83 P87 Y88 V90L81-R83 VanDerWaalsContact C-N 3.34Å; L81-R83 PolarHBondContact O-N 3.38Å; L81-P87 WeakPolarHBondContact O-CA 3.27Å; L81-Y88 PolarHBondContact N-O 3.31Å; L81-Y88 PolarHBondContact O-N 2.95Å; L81-V90 HydrophobicContact CD1-CG2 3.36Å; L81-V90 HydrophobicContact CG-CG2 3.83Å
82R79.2Confident89.3Confident119 Ų11976.4 Ų76.445%0.44938%0.375SS..  trans-87.713.6179.1-66.5-176169.1-129.7-8114.8E4 D8 L80 T84E4-R82 IonicContact OE1-CZ 3.13Å; E4-R82 IonicContact OE1-NE 3.38Å; E4-R82 IonicContact OE1-NH1 2.92Å; E4-R82 PolarHBondContact OE1-NH1 2.91Å; D8-R82 IonicContact OD1-CZ 3.84Å; D8-R82 IonicContact OD1-NE 2.59Å; D8-R82 PolarHBondContact OD1-NE 3.17Å; D8-R82 IonicContact OD1-NH2 2.73Å; D8-R82 PolarHBondContact OD1-NH2 2.98Å; D8-R82 WeakPolarHBondContact OD2-CD 3.32Å; D8-R82 IonicContact OD2-CZ 3.86Å; D8-R82 IonicContact OD2-NE 3.55Å; D8-R82 PolarHBondContact OD2-NE 2.88Å; D8-R82 IonicContact OD2-NH2 2.61Å; L80-R82 HydrophobicContact CD2-CG 3.99Å; L80-R82 HydrophobicContact CG-CG 4.45Å; R82-T84 PolarHBondContact O-N 2.9Å
83R69.9Low89.5Confident237 Ų23770 Ų7089%0.89435%0.345SS*.SBendtrans-68.9-5.2-174.3-67.8-169.6178.8-169.50.7114.5L81L81-R83 VanDerWaalsContact C-N 3.34Å; L81-R83 PolarHBondContact O-N 3.38Å
84T66Low89.5Confident61 Ų6169 Ų6937%0.37434%0.339SS..SBendtrans-131.3159-175.843.80000110.5R82 M86 Y88R82-T84 PolarHBondContact O-N 2.9Å; T84-M86 PolarHBondContact O-N 3.26Å; T84-M86 VanDerWaalsContact O-N 3.12Å; T84-M86 PolarHBondContact OG1-O 2.91Å; T84-Y88 HydrophobicContact CG2-CE2 3.92Å; T84-Y88 WeakPolarHBondContact OG1-CD2 3.37Å; T84-Y88 WeakPolarHBondContact OG1-CE2 3.36Å
85Q69.8Low89.6Confident211 Ų21164.5 Ų64.599%0.98632%0.316SS*.SBendtrans-54.2-32.1176.4-72.4-176.6-10.100112.5
86M75.3Confident89.6Confident77 Ų7760.9 Ų60.938%0.37930%0.3SS..SBendtrans-110.3116.8171.3-167.2162.666.200109.3T84 M115 K116T84-M86 PolarHBondContact O-N 3.26Å; T84-M86 VanDerWaalsContact O-N 3.12Å; T84-M86 PolarHBondContact OG1-O 2.91Å; M86-M115 HydrophobicContact CE-CE 4.12Å; M86-M115 HydrophobicContact CE-CG 3.26Å; M86-M115 HydrophobicContact CE-SD 3.52Å; M86-M115 VanDerWaalsContact CE-SD 3.52Å; M86-K116 WeakPolarHBondContact CE-O 3.35Å; M86-K116 HydrophobicContact SD-CB 4.25Å
87P85Confident89.5Confident48 Ų4859.1 Ų59.131%0.31229%0.287SS..  trans-70.1142.7-175.128.9-34.9000111.2L80 L81L80-P87 HydrophobicContact CD1-CB 3.97Å; L80-P87 HydrophobicContact CD1-CG 4.5Å; L80-P87 HydrophobicContact CD2-CB 4.34Å; L80-P87 HydrophobicContact CG-CB 4.11Å; L81-P87 WeakPolarHBondContact O-CA 3.27Å
88Y92.5Very high89.3Confident56 Ų5657.7 Ų57.722%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-95.1149.9171.8-63.9-78.9000110.5L80 L81 T84 V113 L114 M115L80-Y88 CarbonylContact C-O 3.57Å; L80-Y88 WeakPolarHBondContact CA-O 3.47Å; L81-Y88 PolarHBondContact N-O 3.31Å; L81-Y88 PolarHBondContact O-N 2.95Å; T84-Y88 HydrophobicContact CG2-CE2 3.92Å; T84-Y88 WeakPolarHBondContact OG1-CD2 3.37Å; T84-Y88 WeakPolarHBondContact OG1-CE2 3.36Å; Y88-V113 HydrophobicContact CD1-CG1 3.66Å; Y88-V113 HydrophobicContact CE1-CG1 4.33Å; Y88-V113 HydrophobicContact CG-CG1 3.97Å; Y88-L114 WeakPolarHBondContact CA-O 3.31Å; Y88-M115 HydrophobicContact CD1-CB 4.02Å; Y88-M115 HydrophobicContact CD1-CG 4.35Å; Y88-M115 HydrophobicContact CE1-CB 3.87Å; Y88-M115 HydrophobicContact CE1-CE 3.39Å; Y88-M115 HydrophobicContact CE1-CG 3.88Å; Y88-M115 HydrophobicContact CE1-SD 4.44Å; Y88-M115 WeakPolarHBondContact OH-CE 3.4Å
89V95.1Very high89Confident0 Ų059.1 Ų59.10%029%0.286CS..EExtended strand (participates in β ladder)trans-104.8117.9162.8176.90000107.6A12 V15 A78 Q79 L80 L114 Y121A12-V89 HydrophobicContact CB-CG1 4.34Å; V15-V89 HydrophobicContact CB-CG2 4.25Å; V15-V89 HydrophobicContact CG1-CB 4.27Å; V15-V89 HydrophobicContact CG1-CG1 4.3Å; V15-V89 HydrophobicContact CG1-CG2 4.04Å; V15-V89 HydrophobicContact CG2-CG2 4.49Å; A78-V89 HydrophobicContact CB-CG1 4.07Å; Q79-V89 CarbonylContact O-C 3.59Å; Q79-V89 WeakPolarHBondContact O-CA 3.45Å; L80-V89 HydrophobicContact CD1-CG2 3.64Å; V89-L114 HydrophobicContact CB-CB 4.22Å; V89-L114 HydrophobicContact CG1-CD1 4.49Å; V89-L114 PolarHBondContact N-O 2.95Å; V89-L114 WeakPolarHBondContact O-CB 3.36Å; V89-L114 PolarHBondContact O-N 2.61Å; V89-Y121 HydrophobicContact CG2-CE1 3.97Å
90V96.3Very high88.7Confident34 Ų3458.7 Ų58.721%0.20628%0.284CS..EExtended strand (participates in β ladder)trans-91.1121.3170.2-179.60000107.6A78 Q79 L81 T111 L112 V113A78-V90 CarbonylContact C-O 3.55Å; A78-V90 WeakPolarHBondContact CA-O 3.26Å; Q79-V90 PolarHBondContact N-O 2.82Å; Q79-V90 PolarHBondContact O-N 2.92Å; L81-V90 HydrophobicContact CD1-CG2 3.36Å; L81-V90 HydrophobicContact CG-CG2 3.83Å; V90-T111 HydrophobicContact CG1-CG2 4.06Å; V90-L112 CarbonylContact C-O 3.58Å; V90-L112 WeakPolarHBondContact CA-O 3.17Å; V90-V113 HydrophobicContact CG2-CG2 4.39Å
91M97.3Very high88.4Confident0 Ų061.8 Ų61.80%030%0.304CS..EExtended strand (participates in β ladder)trans-116.3127.1-177.9-178.6-174.6177.600108.9A16 F19 L20 C76 D77 V93 T111 L112 L114A16-M91 HydrophobicContact CB-CE 4.34Å; A16-M91 HydrophobicContact CB-CG 4.12Å; A16-M91 HydrophobicContact CB-SD 4.18Å; A16-M91 WeakPolarHBondContact O-CE 3.34Å; F19-M91 HydrophobicContact CD1-SD 4.11Å; L20-M91 HydrophobicContact CB-CE 3.49Å; L20-M91 VanDerWaalsContact CB-CE 3.49Å; L20-M91 HydrophobicContact CD1-CE 3.66Å; L20-M91 HydrophobicContact CG-CE 4.06Å; C76-M91 WeakPolarHBondContact SG-CE 3.36Å; D77-M91 CarbonylContact O-C 3.56Å; D77-M91 WeakPolarHBondContact O-CA 3.37Å; M91-V93 HydrophobicContact CE-CG2 3.55Å; M91-V93 HydrophobicContact CG-CG2 4.01Å; M91-V93 HydrophobicContact SD-CG2 4.28Å; M91-T111 CarbonylContact O-C 3.54Å; M91-T111 WeakPolarHBondContact O-CA 3.45Å; M91-L112 HydrophobicContact CB-CB 4.34Å; M91-L112 PolarHBondContact N-O 2.78Å; M91-L112 PolarHBondContact O-N 3.37Å; M91-L112 HydrophobicContact SD-CD1 4.21Å; M91-L114 HydrophobicContact CB-CD1 4.49Å; M91-L114 HydrophobicContact SD-CD1 4.24Å
92A97.8Very high88.2Confident37 Ų3761.1 Ų61.131%0.30631%0.305SS..EExtended strand (participates in β ladder)trans-108.1122.9174.400000108.9C76 D77 H110C76-A92 CarbonylContact C-O 3.54Å; C76-A92 VanDerWaalsContact CA-O 3.27Å; C76-A92 WeakPolarHBondContact CA-O 3.2Å; D77-A92 PolarHBondContact N-O 2.95Å; D77-A92 PolarHBondContact O-N 3.33Å; A92-H110 CarbonylContact C-O 3.55Å; A92-H110 WeakPolarHBondContact CA-O 3.28Å
93V97.9Very high88.6Confident2 Ų259.3 Ų59.31%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-121.3132.5178.4-168.40000108.7L20 V73 H75 M91 T95 H110L20-V93 HydrophobicContact CD1-CG1 3.93Å; L20-V93 HydrophobicContact CD1-CG2 4.1Å; V73-V93 HydrophobicContact CG1-CG1 3.85Å; V73-V93 HydrophobicContact CG2-CG1 4.26Å; H75-V93 WeakPolarHBondContact O-CA 3.34Å; M91-V93 HydrophobicContact CE-CG2 3.55Å; M91-V93 HydrophobicContact CG-CG2 4.01Å; M91-V93 HydrophobicContact SD-CG2 4.28Å; V93-T95 HydrophobicContact CG1-CG2 4.02Å; V93-H110 HydrophobicContact CB-CB 4.13Å; V93-H110 PolarHBondContact N-O 2.79Å; V93-H110 PolarHBondContact O-N 3.38Å
94V97.5Very high89.6Confident23 Ų2352.3 Ų52.314%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-112.2127171.2-172.80000108.2I74 H75 R107 V108 Y109I74-V94 HydrophobicContact CD1-CG1 4.13Å; I74-V94 PolarHBondContact N-O 3Å; H75-V94 HydrophobicContact CB-CB 4.08Å; H75-V94 HydrophobicContact CB-CG2 4.18Å; H75-V94 PolarHBondContact N-O 3.25Å; H75-V94 PolarHBondContact O-N 3.41Å; V94-R107 HydrophobicContact CG1-CG 3.75Å; V94-V108 WeakPolarHBondContact CA-O 3.43Å; V94-Y109 HydrophobicContact CG1-CD1 4.45Å; V94-Y109 HydrophobicContact CG1-CE1 4.22Å; V94-Y109 HydrophobicContact CG2-CD1 3.8Å; V94-Y109 HydrophobicContact CG2-CE1 3.86Å
95T97Very high90.9Very high0 Ų054.2 Ų54.20%030%0.3CS..EExtended strand (participates in β ladder)trans-121.1155.5176.864.50000111.2S71 E72 V73 V93 E97 R107 V108 H110S71-T95 WeakPolarHBondContact OG-CB 3.35Å; E72-T95 CarbonylContact O-C 3.56Å; E72-T95 WeakPolarHBondContact O-CA 3.38Å; E72-T95 VanDerWaalsContact O-CB 3.28Å; E72-T95 WeakPolarHBondContact O-CB 3.3Å; V73-T95 HydrophobicContact CG2-CG2 4.18Å; V93-T95 HydrophobicContact CG1-CG2 4.02Å; T95-E97 PolarHBondContact OG1-OE1 2.84Å; T95-R107 WeakPolarHBondContact O-CA 3.25Å; T95-V108 PolarHBondContact N-O 2.86Å; T95-V108 PolarHBondContact O-N 2.88Å; T95-V108 WeakPolarHBondContact OG1-CB 3.42Å; T95-H110 PolarHBondContact OG1-NE2 3.25Å; T95-H110 VanDerWaalsContact OG1-NE2 3.1Å
96I96.1Very high92.1Very high29 Ų2948.3 Ų48.315%0.14927%0.271CS..EExtended strand (participates in β ladder)trans-94.8127.4154.9-65.6-49.2000107.1S71 E72 I74 Q105 K106 R107 I133S71-I96 CarbonylContact C-O 3.56Å; S71-I96 VanDerWaalsContact CA-O 3.32Å; S71-I96 WeakPolarHBondContact CA-O 3.31Å; E72-I96 PolarHBondContact N-O 3.39Å; E72-I96 PolarHBondContact O-N 2.83Å; I74-I96 HydrophobicContact CD1-CB 4.43Å; I74-I96 HydrophobicContact CD1-CD1 3.36Å; I74-I96 HydrophobicContact CD1-CG1 3.35Å; I74-I96 HydrophobicContact CG1-CD1 4.4Å; I74-I96 HydrophobicContact CG1-CG1 3.86Å; I96-Q105 HydrophobicContact CG2-CG 3.42Å; I96-Q105 VanDerWaalsContact CG2-CG 3.42Å; I96-K106 WeakPolarHBondContact CA-O 3.47Å; I96-R107 HydrophobicContact CD1-CB 4.31Å; I96-R107 HydrophobicContact CD1-CG 4.48Å; I96-I133 HydrophobicContact CD1-CD1 3.98Å
97E95.1Very high93.2Very high6 Ų649 Ų493%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-116.1134175.7-68.1-169.8-17700110.8L28 Y29 V69 T70 T95 Q105 K106 V108 H110 H130L28-E97 VanDerWaalsContact CD2-OE1 3.3Å; L28-E97 WeakPolarHBondContact CD2-OE1 3.41Å; Y29-E97 VanDerWaalsContact CE2-OE2 3.27Å; Y29-E97 WeakPolarHBondContact CE2-OE2 3.28Å; Y29-E97 PolarHBondContact OH-OE1 3.12Å; Y29-E97 PolarHBondContact OH-OE2 3.33Å; V69-E97 HydrophobicContact CG1-CB 3.66Å; V69-E97 HydrophobicContact CG1-CG 3.98Å; T70-E97 CarbonylContact O-C 3.57Å; T70-E97 VanDerWaalsContact O-CA 3.24Å; T70-E97 WeakPolarHBondContact O-CA 3.42Å; T95-E97 PolarHBondContact OG1-OE1 2.84Å; E97-Q105 CarbonylContact O-C 3.53Å; E97-Q105 WeakPolarHBondContact O-CA 3.45Å; E97-K106 PolarHBondContact N-O 2.78Å; E97-K106 PolarHBondContact O-N 2.91Å; E97-V108 HydrophobicContact CB-CG2 3.72Å; E97-V108 VanDerWaalsContact CD-CG2 3.48Å; E97-V108 HydrophobicContact CG-CB 4.2Å; E97-V108 HydrophobicContact CG-CG2 3.57Å; E97-H110 IonicContact OE1-CE1 3.48Å; E97-H110 PolarHBondContact OE1-CE1 3.3Å; E97-H110 IonicContact OE1-NE2 3.45Å; E97-H110 PolarHBondContact OE1-NE2 3.49Å; E97-H130 IonicContact OE2-NE2 2.76Å; E97-H130 PolarHBondContact OE2-NE2 2.93Å
98V93.9Very high93.7Very high42 Ų4246.7 Ų46.726%0.25525%0.254SS..EExtended strand (participates in β ladder)trans-118.6116.7175.8-178.40000108.3V69 T70 E100 Q105V69-V98 WeakPolarHBondContact CA-O 3.38Å; T70-V98 PolarHBondContact N-O 2.77Å; T70-V98 PolarHBondContact O-N 2.98Å; V98-E100 PolarHBondContact O-N 3.05Å; V98-Q105 HydrophobicContact CG2-CB 4.31Å; V98-Q105 HydrophobicContact CG2-CG 3.91Å
99D89.9Confident94Very high49 Ų4948.5 Ų48.526%0.26226%0.262SS..EExtended strand (participates in β ladder)trans-72.4111.5166.9172.92.4000108.6T101 S102 A103 I104D99-T101 PolarHBondContact O-N 2.74Å; D99-T101 VanDerWaalsContact O-N 3.17Å; D99-T101 WeakPolarHBondContact OD1-CA 3.4Å; D99-T101 VanDerWaalsContact OD1-CB 3.22Å; D99-T101 WeakPolarHBondContact OD1-CB 3.34Å; D99-T101 PolarHBondContact OD1-N 3.27Å; D99-T101 PolarHBondContact OD1-OG1 2.88Å; D99-T101 VanDerWaalsContact OD1-OG1 3.12Å; D99-S102 WeakPolarHBondContact CB-OG 3.37Å; D99-S102 PolarHBondContact O-N 3.11Å; D99-S102 PolarHBondContact OD2-OG 3.18Å; D99-A103 VanDerWaalsContact O-CA 3.27Å; D99-A103 WeakPolarHBondContact O-CA 3.4Å; D99-A103 PolarHBondContact O-N 3.42Å; D99-I104 PolarHBondContact N-O 2.82Å; D99-I104 VanDerWaalsContact N-O 3.1Å
100E87.6Confident94.1Very high107 Ų10748.6 Ų48.650%0.526%0.262SS..THydrogen-bonded Turntrans-65.1-18.8-177.4-64.5-173.6158.500112.8N68 T70 V98N68-E100 HydrophobicContact CB-CB 4.2Å; N68-E100 HydrophobicContact CB-CG 4.39Å; N68-E100 WeakPolarHBondContact CB-OE2 3.37Å; N68-E100 WeakPolarHBondContact O-CB 3.18Å; N68-E100 WeakPolarHBondContact O-CG 3.36Å; N68-E100 PolarHBondContact O-N 2.82Å; T70-E100 HydrophobicContact CG2-CG 4.15Å; T70-E100 WeakPolarHBondContact CG2-OE1 3.45Å; V98-E100 PolarHBondContact O-N 3.05Å
101T86.7Confident94.2Very high90 Ų9049.7 Ų49.755%0.55227%0.269SS*.THydrogen-bonded Turntrans-79.8-42.7179.2-40.90000111.6D99D99-T101 PolarHBondContact O-N 2.74Å; D99-T101 VanDerWaalsContact O-N 3.17Å; D99-T101 WeakPolarHBondContact OD1-CA 3.4Å; D99-T101 VanDerWaalsContact OD1-CB 3.22Å; D99-T101 WeakPolarHBondContact OD1-CB 3.34Å; D99-T101 PolarHBondContact OD1-N 3.27Å; D99-T101 PolarHBondContact OD1-OG1 2.88Å; D99-T101 VanDerWaalsContact OD1-OG1 3.12Å
102S87.3Confident94.3Very high55 Ų5549.7 Ų49.739%0.38527%0.269SS..THydrogen-bonded Turntrans-102.7-8.8-174.261.60000113.4D99 I104D99-S102 WeakPolarHBondContact CB-OG 3.37Å; D99-S102 PolarHBondContact O-N 3.11Å; D99-S102 PolarHBondContact OD2-OG 3.18Å; S102-I104 PolarHBondContact O-N 3.05Å; S102-I104 VanDerWaalsContact O-N 3.13Å; S102-I104 WeakPolarHBondContact OG-CG1 3.46Å
103A86.6Confident94.2Very high82 Ų8249.6 Ų49.668%0.67826%0.264SS*.THydrogen-bonded Turntrans53.622.4-169.800000113.3D99D99-A103 VanDerWaalsContact O-CA 3.27Å; D99-A103 WeakPolarHBondContact O-CA 3.4Å; D99-A103 PolarHBondContact O-N 3.42Å
104I90.5Very high94.2Very high89 Ų8949.5 Ų49.546%0.45626%0.264SS..EExtended strand (participates in β ladder)trans-84125.2178.5-63.8173.4000108.6D99 S102 K106D99-I104 PolarHBondContact N-O 2.82Å; D99-I104 VanDerWaalsContact N-O 3.1Å; S102-I104 PolarHBondContact O-N 3.05Å; S102-I104 VanDerWaalsContact O-N 3.13Å; S102-I104 WeakPolarHBondContact OG-CG1 3.46Å; I104-K106 HydrophobicContact CG2-CG 4.15Å
105Q94.1Very high94Very high101 Ų10149.5 Ų49.547%0.47226%0.262SS..EExtended strand (participates in β ladder)trans-96.9136175.1-164.7-175.9-39.300110.4I96 E97 V98 I133I96-Q105 HydrophobicContact CG2-CG 3.42Å; I96-Q105 VanDerWaalsContact CG2-CG 3.42Å; E97-Q105 CarbonylContact O-C 3.53Å; E97-Q105 WeakPolarHBondContact O-CA 3.45Å; V98-Q105 HydrophobicContact CG2-CB 4.31Å; V98-Q105 HydrophobicContact CG2-CG 3.91Å; Q105-I133 HydrophobicContact CB-CD1 4Å; Q105-I133 HydrophobicContact CG-CD1 3.43Å; Q105-I133 VanDerWaalsContact CG-CD1 3.43Å
106K95.1Very high93.8Very high87 Ų8753.9 Ų53.938%0.37828%0.282SS..EExtended strand (participates in β ladder)trans-134.5152.6177.2-62.1-175.6-174.2172.80110.5I96 E97 I104 V108 H130I96-K106 WeakPolarHBondContact CA-O 3.47Å; E97-K106 PolarHBondContact N-O 2.78Å; E97-K106 PolarHBondContact O-N 2.91Å; I104-K106 HydrophobicContact CG2-CG 4.15Å; K106-V108 HydrophobicContact CB-CG2 4.44Å; K106-H130 HydrophobicContact CD-CB 4.01Å
107R97.1Very high93.5Very high91 Ų9155 Ų5534%0.34329%0.288SS..EExtended strand (participates in β ladder)trans-91.1129.2165.7-175178.1-65.7154.34.5108.4V94 T95 I96 Y109 M131 I133V94-R107 HydrophobicContact CG1-CG 3.75Å; T95-R107 WeakPolarHBondContact O-CA 3.25Å; I96-R107 HydrophobicContact CD1-CB 4.31Å; I96-R107 HydrophobicContact CD1-CG 4.48Å; R107-Y109 HydrophobicContact CB-CE2 4.49Å; R107-Y109 WeakPolarHBondContact CD-OH 3.33Å; R107-Y109 HydrophobicContact CG-CD2 4.45Å; R107-Y109 HydrophobicContact CG-CE2 3.77Å; R107-M131 PolarHBondContact N-O 3.32Å; R107-M131 PolarHBondContact O-N 2.89Å; R107-I133 HydrophobicContact CB-CG1 4.26Å
108V97.1Very high93.2Very high0 Ų060.9 Ų60.90%032%0.32CS..EExtended strand (participates in β ladder)trans-121.1131.9-176.2-166.50000109.9V94 T95 E97 K106 H110 V128 R129 H130V94-V108 WeakPolarHBondContact CA-O 3.43Å; T95-V108 PolarHBondContact N-O 2.86Å; T95-V108 PolarHBondContact O-N 2.88Å; T95-V108 WeakPolarHBondContact OG1-CB 3.42Å; E97-V108 HydrophobicContact CB-CG2 3.72Å; E97-V108 VanDerWaalsContact CD-CG2 3.48Å; E97-V108 HydrophobicContact CG-CB 4.2Å; E97-V108 HydrophobicContact CG-CG2 3.57Å; K106-V108 HydrophobicContact CB-CG2 4.44Å; V108-H110 WeakPolarHBondContact CG1-NE2 3.21Å; V108-V128 HydrophobicContact CG1-CG1 3.54Å; V108-R129 WeakPolarHBondContact CA-O 3.41Å; V108-H130 WeakPolarHBondContact CG2-CD2 3.46Å
109Y98.1Very high92.8Very high95 Ų9565.8 Ų65.837%0.37334%0.344SS..EExtended strand (participates in β ladder)trans-108122.2179.3-65.7-95.8000108.6V94 R107 V128 R129 M131V94-Y109 HydrophobicContact CG1-CD1 4.45Å; V94-Y109 HydrophobicContact CG1-CE1 4.22Å; V94-Y109 HydrophobicContact CG2-CD1 3.8Å; V94-Y109 HydrophobicContact CG2-CE1 3.86Å; R107-Y109 HydrophobicContact CB-CE2 4.49Å; R107-Y109 WeakPolarHBondContact CD-OH 3.33Å; R107-Y109 HydrophobicContact CG-CD2 4.45Å; R107-Y109 HydrophobicContact CG-CE2 3.77Å; Y109-V128 WeakPolarHBondContact O-CA 3.43Å; Y109-R129 PolarHBondContact N-O 3.49Å; Y109-R129 PolarHBondContact O-N 2.88Å; Y109-M131 HydrophobicContact CD2-CG 4.06Å; Y109-M131 HydrophobicContact CE2-CB 4.28Å; Y109-M131 HydrophobicContact CE2-CG 3.93Å
110H98.2Very high92.9Very high1 Ų169.6 Ų69.61%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-113.2121.7177.2-48.3-116.5000108.2Y23 A92 V93 T95 E97 V108 L112 I127Y23-H110 AromaticContact CZ-ND1 3.95Å; Y23-H110 PolarHBondContact OH-ND1 2.9Å; A92-H110 CarbonylContact C-O 3.55Å; A92-H110 WeakPolarHBondContact CA-O 3.28Å; V93-H110 HydrophobicContact CB-CB 4.13Å; V93-H110 PolarHBondContact N-O 2.79Å; V93-H110 PolarHBondContact O-N 3.38Å; T95-H110 PolarHBondContact OG1-NE2 3.25Å; T95-H110 VanDerWaalsContact OG1-NE2 3.1Å; E97-H110 IonicContact OE1-CE1 3.48Å; E97-H110 PolarHBondContact OE1-CE1 3.3Å; E97-H110 IonicContact OE1-NE2 3.45Å; E97-H110 PolarHBondContact OE1-NE2 3.49Å; V108-H110 WeakPolarHBondContact CG1-NE2 3.21Å; H110-L112 HydrophobicContact CB-CD2 4.44Å; H110-I127 CarbonylContact C-O 3.55Å; H110-I127 VanDerWaalsContact CA-O 3.27Å; H110-I127 WeakPolarHBondContact CA-O 3.16Å
111T98.3Very high93.2Very high57 Ų5767.1 Ų67.135%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-112.5113.5169.6-57.10000108V90 M91 A126 I127V90-T111 HydrophobicContact CG1-CG2 4.06Å; M91-T111 CarbonylContact O-C 3.54Å; M91-T111 WeakPolarHBondContact O-CA 3.45Å; T111-A126 CarbonylContact O-C 3.5Å; T111-A126 WeakPolarHBondContact O-CA 3.43Å; T111-I127 PolarHBondContact N-O 3.12Å; T111-I127 PolarHBondContact O-N 3.44Å
112L98.1Very high93.7Very high0 Ų064.7 Ų64.70%033%0.328CS..EExtended strand (participates in β ladder)trans-111130.2-177.2-47.6179.6000109.4F19 Y23 V90 M91 H110 L114 A126F19-L112 HydrophobicContact CD1-CD1 4.5Å; F19-L112 HydrophobicContact CE1-CD1 4.17Å; Y23-L112 HydrophobicContact CD1-CD1 4.13Å; Y23-L112 HydrophobicContact CD2-CD1 3.98Å; Y23-L112 HydrophobicContact CE1-CD1 4.08Å; Y23-L112 HydrophobicContact CE2-CD1 3.93Å; Y23-L112 HydrophobicContact CE2-CD2 4.23Å; Y23-L112 HydrophobicContact CG-CD1 4.09Å; V90-L112 CarbonylContact C-O 3.58Å; V90-L112 WeakPolarHBondContact CA-O 3.17Å; M91-L112 HydrophobicContact CB-CB 4.34Å; M91-L112 PolarHBondContact N-O 2.78Å; M91-L112 PolarHBondContact O-N 3.37Å; M91-L112 HydrophobicContact SD-CD1 4.21Å; H110-L112 HydrophobicContact CB-CD2 4.44Å; L112-L114 HydrophobicContact CB-CD2 4.07Å; L112-A126 HydrophobicContact CD2-CB 3.67Å
113V97Very high94.2Very high36 Ų3662 Ų6222%0.21831%0.31CS..EExtended strand (participates in β ladder)trans-101.1108.6169.1-177.10000107.5Y88 V90 K124 S125Y88-V113 HydrophobicContact CD1-CG1 3.66Å; Y88-V113 HydrophobicContact CE1-CG1 4.33Å; Y88-V113 HydrophobicContact CG-CG1 3.97Å; V90-V113 HydrophobicContact CG2-CG2 4.39Å; V113-K124 PolarHBondContact O-N 2.72Å; V113-S125 PolarHBondContact N-O 3.33Å; V113-S125 PolarHBondContact O-N 2.76Å
114L96.7Very high94.6Very high0 Ų060.7 Ų60.70%029%0.289CS..EExtended strand (participates in β ladder)trans-94.7130.3-179.8-49.5-178.9000110V15 F19 Y88 V89 M91 L112 Y121 K122 I123V15-L114 HydrophobicContact CG1-CD1 4.06Å; F19-L114 HydrophobicContact CB-CD1 3.92Å; F19-L114 HydrophobicContact CD1-CD1 3.81Å; F19-L114 HydrophobicContact CD1-CD2 3.84Å; F19-L114 HydrophobicContact CD1-CG 4.49Å; F19-L114 HydrophobicContact CD2-CD1 4.03Å; F19-L114 HydrophobicContact CD2-CD2 4.27Å; F19-L114 HydrophobicContact CE1-CD1 4.42Å; F19-L114 HydrophobicContact CE1-CD2 3.58Å; F19-L114 HydrophobicContact CE2-CD2 4.05Å; F19-L114 HydrophobicContact CG-CD1 3.61Å; F19-L114 HydrophobicContact CG-CD2 4.19Å; F19-L114 HydrophobicContact CZ-CD2 3.72Å; Y88-L114 WeakPolarHBondContact CA-O 3.31Å; V89-L114 HydrophobicContact CB-CB 4.22Å; V89-L114 HydrophobicContact CG1-CD1 4.49Å; V89-L114 PolarHBondContact N-O 2.95Å; V89-L114 WeakPolarHBondContact O-CB 3.36Å; V89-L114 PolarHBondContact O-N 2.61Å; M91-L114 HydrophobicContact CB-CD1 4.49Å; M91-L114 HydrophobicContact SD-CD1 4.24Å; L112-L114 HydrophobicContact CB-CD2 4.07Å; L114-Y121 HydrophobicContact CB-CD1 4.01Å; L114-K122 CarbonylContact C-O 3.51Å; L114-K122 WeakPolarHBondContact CA-O 3.34Å; L114-I123 HydrophobicContact CD2-CG1 3.71Å
115M93.9Very high94.9Very high22 Ų2258.2 Ų58.211%0.10828%0.28CS..EExtended strand (participates in β ladder)trans-113.1138.2175.8-174.7-171.5-95.200108.5M41 M86 Y88 N117 Y121 K122 K124M41-M115 HydrophobicContact CE-SD 4.08Å; M86-M115 HydrophobicContact CE-CE 4.12Å; M86-M115 HydrophobicContact CE-CG 3.26Å; M86-M115 HydrophobicContact CE-SD 3.52Å; M86-M115 VanDerWaalsContact CE-SD 3.52Å; Y88-M115 HydrophobicContact CD1-CB 4.02Å; Y88-M115 HydrophobicContact CD1-CG 4.35Å; Y88-M115 HydrophobicContact CE1-CB 3.87Å; Y88-M115 HydrophobicContact CE1-CE 3.39Å; Y88-M115 HydrophobicContact CE1-CG 3.88Å; Y88-M115 HydrophobicContact CE1-SD 4.44Å; Y88-M115 WeakPolarHBondContact OH-CE 3.4Å; M115-N117 PolarHBondContact O-N 2.77Å; M115-Y121 WeakPolarHBondContact O-CA 3.37Å; M115-K122 PolarHBondContact N-O 2.94Å; M115-K122 PolarHBondContact O-N 3.27Å; M115-K124 HydrophobicContact CB-CB 4.09Å; M115-K124 HydrophobicContact CE-CD 4.09Å; M115-K124 HydrophobicContact CE-CG 4.27Å; M115-K124 HydrophobicContact SD-CD 4.39Å
116K92.3Very high95.1Very high93 Ų9353.4 Ų53.440%0.40426%0.257SS..EExtended strand (participates in β ladder)trans-70.7129170.5-170.1173.1178.7-179.90109.2M86 D118 H120 Y121M86-K116 WeakPolarHBondContact CE-O 3.35Å; M86-K116 HydrophobicContact SD-CB 4.25Å; K116-D118 WeakPolarHBondContact CE-O 3.34Å; K116-D118 WeakPolarHBondContact CG-O 3.18Å; K116-H120 CarbonylContact C-O 3.56Å; K116-Y121 HydrophobicContact CB-CD1 4.49Å; K116-Y121 HydrophobicContact CB-CE1 4.15Å
117N90.4Very high95.3Very high52 Ų5252.8 Ų52.828%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-133.1110.4174.8-176.962.6000107.7M41 M115 D119 H120 K122M41-N117 HydrophobicContact CE-CB 4.34Å; M41-N117 HydrophobicContact SD-CB 3.88Å; M115-N117 PolarHBondContact O-N 2.77Å; N117-D119 PolarHBondContact O-N 3.03Å; N117-H120 PolarHBondContact N-O 2.8Å; N117-H120 PolarHBondContact O-N 3.49Å; N117-H120 VanDerWaalsContact O-O 3.04Å; N117-K122 HydrophobicContact CB-CD 4.45Å; N117-K122 HydrophobicContact CB-CG 4.44Å
118D87.8Confident95.3Very high130 Ų13048.5 Ų48.570%0.69524%0.241SC*.THydrogen-bonded Turntrans51.4-123.9-165.4-52.5-46.4000110.7K116K116-D118 WeakPolarHBondContact CE-O 3.34Å; K116-D118 WeakPolarHBondContact CG-O 3.18Å
119D87.1Confident95.3Very high144 Ų14455.6 Ų55.677%0.7727%0.268SS*.THydrogen-bonded Turntrans-90.95.7179.1-67.3-42.8000114.4N117N117-D119 PolarHBondContact O-N 3.03Å
120H91Very high95.2Very high129 Ų12952.8 Ų52.860%0.59726%0.258SS*.EExtended strand (participates in β ladder)trans-120.8154.5-175.5-60.387.6000112.1K116 N117K116-H120 CarbonylContact C-O 3.56Å; N117-H120 PolarHBondContact N-O 2.8Å; N117-H120 PolarHBondContact O-N 3.49Å; N117-H120 VanDerWaalsContact O-O 3.04Å
121Y94.6Very high95Very high55 Ų5556 Ų5622%0.21627%0.274CS..EExtended strand (participates in β ladder)trans-93.9136.5166.9-78.1-94.9000109.2V15 F19 V89 L114 M115 K116V15-Y121 HydrophobicContact CB-CE2 4.36Å; V15-Y121 HydrophobicContact CG1-CD1 3.76Å; V15-Y121 HydrophobicContact CG1-CD2 3.72Å; V15-Y121 HydrophobicContact CG1-CE1 3.97Å; V15-Y121 HydrophobicContact CG1-CE2 3.95Å; V15-Y121 HydrophobicContact CG1-CG 3.62Å; V15-Y121 HydrophobicContact CG2-CD2 3.99Å; V15-Y121 HydrophobicContact CG2-CE1 4.27Å; V15-Y121 HydrophobicContact CG2-CE2 3.42Å; V15-Y121 VanDerWaalsContact CG2-CE2 3.42Å; F19-Y121 VanDerWaalsContact CE2-O 3.26Å; F19-Y121 WeakPolarHBondContact CE2-O 3.48Å; V89-Y121 HydrophobicContact CG2-CE1 3.97Å; L114-Y121 HydrophobicContact CB-CD1 4.01Å; M115-Y121 WeakPolarHBondContact O-CA 3.37Å; K116-Y121 HydrophobicContact CB-CD1 4.49Å; K116-Y121 HydrophobicContact CB-CE1 4.15Å
122K96.4Very high94.5Very high39 Ų3958.7 Ų58.717%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-130.4152.2175.3-66.5-165174.1-159.40110.9E37 N38 L39 M41 L114 M115 N117 K124E37-K122 PolarHBondContact O-NZ 2.79Å; E37-K122 VanDerWaalsContact O-NZ 3.11Å; N38-K122 WeakPolarHBondContact O-CE 3.37Å; L39-K122 CarbonylContact O-C 3.59Å; L39-K122 WeakPolarHBondContact O-CA 3.4Å; M41-K122 HydrophobicContact CG-CB 4.04Å; M41-K122 HydrophobicContact SD-CB 3.68Å; M41-K122 HydrophobicContact SD-CD 4.01Å; M41-K122 HydrophobicContact SD-CG 4.34Å; L114-K122 CarbonylContact C-O 3.51Å; L114-K122 WeakPolarHBondContact CA-O 3.34Å; M115-K122 PolarHBondContact N-O 2.94Å; M115-K122 PolarHBondContact O-N 3.27Å; N117-K122 HydrophobicContact CB-CD 4.45Å; N117-K122 HydrophobicContact CB-CG 4.44Å; K122-K124 PolarHBondContact O-N 3.23Å
123I97.7Very high94Very high0 Ų064.7 Ų64.70%032%0.323CS..EExtended strand (participates in β ladder)trans-72.1116.4177.5-62.6160.8000108.7F19 Y23 L39 F40 M41 A44 L114 S125 A126F19-I123 HydrophobicContact CE1-CD1 3.96Å; F19-I123 HydrophobicContact CE1-CG1 3.86Å; F19-I123 HydrophobicContact CZ-CD1 3.85Å; F19-I123 HydrophobicContact CZ-CG1 3.59Å; Y23-I123 HydrophobicContact CD2-CD1 3.98Å; Y23-I123 HydrophobicContact CE2-CD1 4.04Å; L39-I123 HydrophobicContact CB-CD1 4.47Å; L39-I123 PolarHBondContact O-N 2.88Å; F40-I123 HydrophobicContact CD1-CB 3.71Å; F40-I123 HydrophobicContact CD1-CD1 4.25Å; F40-I123 HydrophobicContact CD1-CG2 3.6Å; F40-I123 HydrophobicContact CD2-CD1 4.16Å; F40-I123 HydrophobicContact CE1-CB 3.98Å; F40-I123 HydrophobicContact CE1-CD1 3.89Å; F40-I123 HydrophobicContact CE1-CG2 3.56Å; F40-I123 HydrophobicContact CE2-CD1 3.78Å; F40-I123 HydrophobicContact CG-CB 4.1Å; F40-I123 HydrophobicContact CG-CD1 4.39Å; F40-I123 HydrophobicContact CG-CG2 4.48Å; F40-I123 HydrophobicContact CZ-CD1 3.64Å; F40-I123 HydrophobicContact CZ-CG2 4.41Å; M41-I123 PolarHBondContact N-O 3.47Å; A44-I123 WeakPolarHBondContact CB-O 3.35Å; L114-I123 HydrophobicContact CD2-CG1 3.71Å; I123-S125 WeakPolarHBondContact CG2-O 3.34Å; I123-A126 HydrophobicContact CG2-CB 3.87Å
124K95.7Very high93.8Very high54 Ų5466.2 Ų66.224%0.23533%0.328CS..EExtended strand (participates in β ladder)trans-86.6-37169.6-176.865-176.4-171.40111.7M41 D43 A44 V45 V113 M115 K122M41-K124 HydrophobicContact CB-CD 4.31Å; M41-K124 HydrophobicContact CG-CB 4.44Å; M41-K124 HydrophobicContact CG-CD 4.12Å; D43-K124 IonicContact OD1-NZ 3.78Å; D43-K124 PolarHBondContact OD1-NZ 3.38Å; D43-K124 IonicContact OD2-NZ 2.72Å; D43-K124 PolarHBondContact OD2-NZ 3.14Å; A44-K124 WeakPolarHBondContact CA-O 3.32Å; V45-K124 PolarHBondContact N-O 3.31Å; V113-K124 PolarHBondContact O-N 2.72Å; M115-K124 HydrophobicContact CB-CB 4.09Å; M115-K124 HydrophobicContact CE-CD 4.09Å; M115-K124 HydrophobicContact CE-CG 4.27Å; M115-K124 HydrophobicContact SD-CD 4.39Å; K122-K124 PolarHBondContact O-N 3.23Å
125S96.7Very high93.7Very high37 Ų3769.6 Ų69.626%0.25935%0.345SS..EExtended strand (participates in β ladder)trans-146.9141.3177.1-178.10000110V45 V113 I123V45-S125 CarbonylContact O-C 3.57Å; V45-S125 VanDerWaalsContact O-CA 3.32Å; V45-S125 WeakPolarHBondContact O-CA 3.33Å; V113-S125 PolarHBondContact N-O 3.33Å; V113-S125 PolarHBondContact O-N 2.76Å; I123-S125 WeakPolarHBondContact CG2-O 3.34Å
126A98.2Very high93.7Very high0 Ų072.3 Ų72.30%036%0.359CS..EExtended strand (participates in β ladder)trans-133.7138.4174.600000110.6F40 V45 L46 I47 T111 L112 I123F40-A126 HydrophobicContact CE1-CB 4.25Å; V45-A126 PolarHBondContact O-N 2.99Å; L46-A126 CarbonylContact C-O 3.58Å; L46-A126 WeakPolarHBondContact CA-O 3.01Å; L46-A126 HydrophobicContact CD1-CB 3.84Å; I47-A126 PolarHBondContact N-O 3.43Å; T111-A126 CarbonylContact O-C 3.5Å; T111-A126 WeakPolarHBondContact O-CA 3.43Å; L112-A126 HydrophobicContact CD2-CB 3.67Å; I123-A126 HydrophobicContact CG2-CB 3.87Å
127I98.4Very high93.8Very high74 Ų7471.1 Ų71.138%0.37936%0.356SS..EExtended strand (participates in β ladder)trans-119125.9168.3-55.9177.9000107.1I47 H110 T111I47-I127 HydrophobicContact CB-CG1 4.3Å; I47-I127 HydrophobicContact CB-CG2 4.5Å; I47-I127 HydrophobicContact CD1-CG1 4.37Å; I47-I127 CarbonylContact O-C 3.58Å; I47-I127 WeakPolarHBondContact O-CA 3.45Å; H110-I127 CarbonylContact C-O 3.55Å; H110-I127 VanDerWaalsContact CA-O 3.27Å; H110-I127 WeakPolarHBondContact CA-O 3.16Å; T111-I127 PolarHBondContact N-O 3.12Å; T111-I127 PolarHBondContact O-N 3.44Å
128V97.8Very high94Very high0 Ų072.3 Ų72.30%036%0.361CS..EExtended strand (participates in β ladder)trans-120.9125.1174.7-177.90000107.9L46 I47 F48 D49 V108 Y109L46-V128 HydrophobicContact CD1-CG2 3.97Å; I47-V128 PolarHBondContact O-N 2.65Å; F48-V128 HydrophobicContact CD2-CB 3.74Å; F48-V128 HydrophobicContact CD2-CG1 3.92Å; F48-V128 HydrophobicContact CD2-CG2 4.31Å; F48-V128 HydrophobicContact CE2-CB 4.13Å; F48-V128 HydrophobicContact CE2-CG1 3.77Å; F48-V128 HydrophobicContact CG-CB 4.47Å; D49-V128 PolarHBondContact N-O 2.73Å; V108-V128 HydrophobicContact CG1-CG1 3.54Å; Y109-V128 WeakPolarHBondContact O-CA 3.43Å
129R97.5Very high94.4Very high150 Ų15068.4 Ų68.457%0.56634%0.338SS*.EExtended strand (participates in β ladder)trans-134.4120.6-178.7-170.8168.2-175.7165.20.6111.6D49 V108 Y109 M131D49-R129 WeakPolarHBondContact OD1-CA 3.05Å; V108-R129 WeakPolarHBondContact CA-O 3.41Å; Y109-R129 PolarHBondContact N-O 3.49Å; Y109-R129 PolarHBondContact O-N 2.88Å; R129-M131 HydrophobicContact CG-CE 4.1Å
130H95.8Very high94.9Very high35 Ų3563 Ų6316%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-84134.5173.6-6377.2000110.3Y29 F48 D49 E97 K106 V108Y29-H130 PolarHBondContact OH-CE1 3.41Å; Y29-H130 PolarHBondContact OH-NE2 3.38Å; F48-H130 AromaticContact CE1-CE1 3.65Å; F48-H130 AromaticContact CE1-ND1 3.98Å; F48-H130 AromaticContact CE2-CE1 3.95Å; F48-H130 AromaticContact CZ-CE1 3.27Å; F48-H130 WeakPolarHBondContact CZ-CE1 3.22Å; D49-H130 IonicContact OD1-CG 3.59Å; D49-H130 PolarHBondContact OD1-N 2.59Å; D49-H130 IonicContact OD1-ND1 2.78Å; D49-H130 PolarHBondContact OD1-ND1 2.8Å; D49-H130 IonicContact OD2-CE1 3.29Å; D49-H130 IonicContact OD2-CG 3.27Å; D49-H130 IonicContact OD2-ND1 3.69Å; D49-H130 PolarHBondContact OD2-ND1 3.06Å; E97-H130 IonicContact OE2-NE2 2.76Å; E97-H130 PolarHBondContact OE2-NE2 2.93Å; K106-H130 HydrophobicContact CD-CB 4.01Å; V108-H130 WeakPolarHBondContact CG2-CD2 3.46Å
131M93.4Very high95.2Very high70 Ų7057.9 Ų57.935%0.34529%0.285SS..EExtended strand (participates in β ladder)trans-125.6142.3172-64.6-65.1-164.200109.1R107 Y109 R129R107-M131 PolarHBondContact N-O 3.32Å; R107-M131 PolarHBondContact O-N 2.89Å; Y109-M131 HydrophobicContact CD2-CG 4.06Å; Y109-M131 HydrophobicContact CE2-CB 4.28Å; Y109-M131 HydrophobicContact CE2-CG 3.93Å; R129-M131 HydrophobicContact CG-CE 4.1Å
132P88.4Confident95.3Very high112 Ų11258.2 Ų58.273%0.72729%0.291SS*.  trans-59.4152.3166.828.4-33.2000109.8
133I87.3Confident95.2Very high127 Ų12759.9 Ų59.965%0.65130%0.302SS*.  trans-82.50176-63.5-178.1000110I96 Q105 R107I96-I133 HydrophobicContact CD1-CD1 3.98Å; Q105-I133 HydrophobicContact CB-CD1 4Å; Q105-I133 HydrophobicContact CG-CD1 3.43Å; Q105-I133 VanDerWaalsContact CG-CD1 3.43Å; R107-I133 HydrophobicContact CB-CG1 4.26Å

Retrieved 133 of 133 residues in 82.7 ms (Link to these results)

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