X5D3F6_HUMAN Loading...

Interferon regulatory factor

AlphaFold DB , UniProt , Accession X5D3F6, Species HUMAN (Homo sapiens, Human), Gene IRF-1, Length 284 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
1M41.1Very low80.6Confident230 Ų230106.5 Ų106.5100%1.13353%0.528SS*.  0138.70-67.5-127.3-178.400108.7I3M1-I3 PolarHBondContact O-N 3.41Å
2P54.8Low81.9Confident122 Ų12297.6 Ų97.679%0.79248%0.484SS*.  trans-65127.3174.326.6-31000109.4T4P2-T4 PolarHBondContact O-N 3.33Å; P2-T4 VanDerWaalsContact O-N 3.16Å
3I60.2Low82.9Confident166 Ų16694.9 Ų94.985%0.85147%0.469SS*.  trans-68.1112.5176.1-64.7166.5000107.7M1 R5M1-I3 PolarHBondContact O-N 3.41Å; I3-R5 PolarHBondContact O-N 3.48Å; I3-R5 VanDerWaalsContact O-N 3.08Å
4T78.3Confident83.8Confident137 Ų13795 Ų9584%0.8447%0.47SS*.  trans-72.3100.5174.349.60000109.3P2P2-T4 PolarHBondContact O-N 3.33Å; P2-T4 VanDerWaalsContact O-N 3.16Å
5R86.4Confident84.7Confident134 Ų13490.3 Ų90.351%0.50645%0.446SS..PPolyproline II helixtrans-75138176.7-178.5179.3-70.5156.8-11.5111.4I3 H61 T62I3-R5 PolarHBondContact O-N 3.48Å; I3-R5 VanDerWaalsContact O-N 3.08Å; R5-H61 VanDerWaalsContact CD-O 3.29Å; R5-H61 WeakPolarHBondContact CD-O 3.48Å; R5-H61 PolarHBondContact NE-O 3.31Å; R5-H61 PolarHBondContact NH2-O 2.94Å; R5-H61 VanDerWaalsContact NH2-O 3.13Å; R5-T62 PolarHBondContact NH1-O 2.99Å; R5-T62 PolarHBondContact NH2-O 3.35Å
6M92.4Very high85.4Confident68 Ų6884.6 Ų84.634%0.33542%0.418SS..PPolyproline II helixtrans-62.2147.9174.9-176164.24800111.6P10 W11 M14 H61M6-P10 HydrophobicContact CG-CB 4.12Å; M6-P10 HydrophobicContact CG-CG 3.75Å; M6-P10 HydrophobicContact SD-CB 3.9Å; M6-P10 HydrophobicContact SD-CG 4.21Å; M6-W11 VanDerWaalsContact CE-CA 3.41Å; M6-W11 HydrophobicContact CE-CB 3.69Å; M6-W11 HydrophobicContact CE-CG 4.1Å; M6-W11 HydrophobicContact CG-CB 4.17Å; M6-W11 HydrophobicContact SD-CB 4.37Å; M6-M14 HydrophobicContact CE-CE 3.56Å; M6-M14 HydrophobicContact CE-SD 4.02Å; M6-H61 PolarHBondContact O-CE1 2.82Å
7R93.6Very high86Confident209 Ų20983.9 Ų83.979%0.78942%0.416SS*.PPolyproline II helixtrans-76.2162.3175.5-70.7-169.9173.5140.51.8111.4R9 P10 W11R7-R9 PolarHBondContact O-N 3.4Å; R7-P10 HydrophobicContact CB-CG 4.14Å; R7-P10 WeakPolarHBondContact O-CD 2.93Å; R7-P10 WeakPolarHBondContact O-CG 3.46Å; R7-W11 WeakPolarHBondContact O-CB 3.45Å; R7-W11 PolarHBondContact O-N 3.47Å; R7-W11 VanDerWaalsContact O-N 3.09Å
8M94.9Very high86.5Confident12 Ų1281.6 Ų81.66%0.05941%0.409CS..Hα-helixtrans-59.1-47.3-173.8-172.9177-161.700114W11 L12 W58 F81 A84 M85 L88M8-W11 WeakPolarHBondContact O-CB 3.29Å; M8-W11 PolarHBondContact O-N 3.35Å; M8-L12 VanDerWaalsContact O-CB 3.32Å; M8-L12 WeakPolarHBondContact O-CB 3.5Å; M8-L12 PolarHBondContact O-N 2.96Å; M8-W58 VanDerWaalsContact CA-CH2 3.5Å; M8-W58 HydrophobicContact CB-CH2 3.47Å; M8-W58 VanDerWaalsContact CB-CH2 3.47Å; M8-W58 HydrophobicContact CB-CZ2 3.9Å; M8-W58 HydrophobicContact CB-CZ3 4.14Å; M8-W58 HydrophobicContact CE-CZ2 4.5Å; M8-W58 HydrophobicContact CG-CH2 3.72Å; M8-W58 HydrophobicContact CG-CZ2 3.89Å; M8-W58 HydrophobicContact CG-CZ3 4.12Å; M8-W58 HydrophobicContact SD-CZ2 4.17Å; M8-F81 HydrophobicContact CE-CD2 3.59Å; M8-F81 HydrophobicContact CE-CE1 4.4Å; M8-F81 HydrophobicContact CE-CE2 3.46Å; M8-F81 VanDerWaalsContact CE-CE2 3.46Å; M8-F81 HydrophobicContact CE-CG 4.13Å; M8-F81 HydrophobicContact CE-CZ 3.9Å; M8-A84 HydrophobicContact CE-CB 3.73Å; M8-A84 HydrophobicContact SD-CB 3.21Å; M8-A84 WeakPolarHBondContact SD-CB 3.39Å; M8-M85 HydrophobicContact CE-CB 4.4Å; M8-M85 HydrophobicContact CE-CG 3.51Å; M8-M85 HydrophobicContact CE-SD 3.57Å; M8-M85 VanDerWaalsContact CE-SD 3.57Å; M8-M85 HydrophobicContact SD-CG 4.36Å; M8-M85 PolarHBondContact SD-N 2.82Å; M8-M85 VanDerWaalsContact SD-N 3.44Å; M8-M85 HydrophobicContact SD-SD 4.14Å; M8-L88 HydrophobicContact CB-CD1 4.1Å; M8-L88 HydrophobicContact CG-CD1 4.04Å; M8-L88 HydrophobicContact SD-CD1 3.83Å
9R94.4Very high86.9Confident30 Ų3082.8 Ų82.811%0.11342%0.417CS..Hα-helixtrans-57.3-59.4-179.3174.2176.7174.1160.610.7113.3R7 W11 L12 E13 D90 I91 M111 L112R7-R9 PolarHBondContact O-N 3.4Å; R9-W11 PolarHBondContact O-N 3.37Å; R9-L12 PolarHBondContact O-N 3.32Å; R9-L12 VanDerWaalsContact O-N 3.13Å; R9-E13 PolarHBondContact O-N 3.49Å; R9-D90 WeakPolarHBondContact CD-OD2 3.45Å; R9-D90 IonicContact CZ-OD2 2.84Å; R9-D90 IonicContact NE-OD2 3.63Å; R9-D90 VanDerWaalsContact NH1-CB 3.31Å; R9-D90 VanDerWaalsContact NH1-CG 3.34Å; R9-D90 IonicContact NH1-OD2 3.83Å; R9-D90 PolarHBondContact NH1-OD2 3.11Å; R9-I91 HydrophobicContact CB-CD1 4.27Å; R9-I91 HydrophobicContact CG-CD1 4.32Å; R9-M111 HydrophobicContact CG-SD 4.15Å; R9-L112 PolarHBondContact NH1-O 3.32Å; R9-L112 PolarHBondContact NH2-O 3.32Å
10P94.7Very high87.1Confident56 Ų5685 Ų8536%0.36443%0.426SS..Hα-helixtrans-64.2-30.8179.823.9-33.6000112.2M6 R7 M14M6-P10 HydrophobicContact CG-CB 4.12Å; M6-P10 HydrophobicContact CG-CG 3.75Å; M6-P10 HydrophobicContact SD-CB 3.9Å; M6-P10 HydrophobicContact SD-CG 4.21Å; R7-P10 HydrophobicContact CB-CG 4.14Å; R7-P10 WeakPolarHBondContact O-CD 2.93Å; R7-P10 WeakPolarHBondContact O-CG 3.46Å; P10-M14 WeakPolarHBondContact O-CB 3.44Å; P10-M14 PolarHBondContact O-N 3.4Å; P10-M14 VanDerWaalsContact O-N 3.08Å
11W95.9Very high87.4Confident7 Ų781.4 Ų81.43%0.02741%0.408CS..Hα-helixtrans-62.3-47.6172.2177.987.5000112.1M6 R7 M8 R9 M14 Q15 L54 W58 H61 F81M6-W11 VanDerWaalsContact CE-CA 3.41Å; M6-W11 HydrophobicContact CE-CB 3.69Å; M6-W11 HydrophobicContact CE-CG 4.1Å; M6-W11 HydrophobicContact CG-CB 4.17Å; M6-W11 HydrophobicContact SD-CB 4.37Å; R7-W11 WeakPolarHBondContact O-CB 3.45Å; R7-W11 PolarHBondContact O-N 3.47Å; R7-W11 VanDerWaalsContact O-N 3.09Å; M8-W11 WeakPolarHBondContact O-CB 3.29Å; M8-W11 PolarHBondContact O-N 3.35Å; R9-W11 PolarHBondContact O-N 3.37Å; W11-M14 WeakPolarHBondContact O-CB 3.2Å; W11-M14 PolarHBondContact O-N 3.17Å; W11-Q15 HydrophobicContact CD2-CG 3.96Å; W11-Q15 HydrophobicContact CE3-CG 4.1Å; W11-Q15 HydrophobicContact CH2-CG 3.75Å; W11-Q15 HydrophobicContact CZ2-CG 3.6Å; W11-Q15 HydrophobicContact CZ3-CG 3.99Å; W11-Q15 WeakPolarHBondContact O-CG 3.32Å; W11-Q15 PolarHBondContact O-N 3.48Å; W11-L54 HydrophobicContact CH2-CD1 3.8Å; W11-L54 HydrophobicContact CZ3-CD1 4.04Å; W11-W58 HydrophobicContact CB-CZ3 4.14Å; W11-W58 AromaticContact CD2-CE3 3.47Å; W11-W58 HydrophobicContact CD2-CE3 3.47Å; W11-W58 VanDerWaalsContact CD2-CE3 3.47Å; W11-W58 AromaticContact CD2-CZ3 3.69Å; W11-W58 HydrophobicContact CD2-CZ3 3.69Å; W11-W58 AromaticContact CE2-CE3 3.81Å; W11-W58 HydrophobicContact CE3-CD2 4.3Å; W11-W58 AromaticContact CE3-CE3 3.34Å; W11-W58 HydrophobicContact CE3-CE3 3.34Å; W11-W58 AromaticContact CE3-CZ3 3.72Å; W11-W58 HydrophobicContact CE3-CZ3 3.72Å; W11-W58 HydrophobicContact CG-CE3 4.12Å; W11-W58 AromaticContact CG-CZ3 3.88Å; W11-W58 HydrophobicContact CG-CZ3 3.88Å; W11-W58 HydrophobicContact CH2-CB 3.56Å; W11-W58 HydrophobicContact CH2-CD2 4.43Å; W11-W58 AromaticContact CH2-CE3 3.93Å; W11-W58 HydrophobicContact CH2-CE3 3.93Å; W11-W58 HydrophobicContact CH2-CG 4.36Å; W11-W58 HydrophobicContact CZ2-CB 4.1Å; W11-W58 HydrophobicContact CZ2-CE3 4.04Å; W11-W58 HydrophobicContact CZ3-CB 4.03Å; W11-W58 HydrophobicContact CZ3-CD2 4.18Å; W11-W58 AromaticContact CZ3-CE3 3.6Å; W11-W58 HydrophobicContact CZ3-CE3 3.6Å; W11-W58 HydrophobicContact CZ3-CG 4.4Å; W11-W58 HydrophobicContact CZ3-CZ3 4.41Å; W11-H61 AromaticContact CD1-CD2 3.4Å; W11-H61 VanDerWaalsContact CD1-CD2 3.4Å; W11-H61 AromaticContact CD1-CE1 3.41Å; W11-H61 VanDerWaalsContact CD1-CE1 3.41Å; W11-H61 AromaticContact CD1-CG 3.42Å; W11-H61 VanDerWaalsContact CD1-CG 3.42Å; W11-H61 AromaticContact CD1-ND1 3.45Å; W11-H61 AromaticContact CD1-NE2 3.41Å; W11-H61 AromaticContact CG-CE1 3.77Å; W11-H61 AromaticContact CG-ND1 3.82Å; W11-H61 HydrophobicContact CZ2-CB 4.41Å; W11-H61 AromaticContact NE1-CD2 3.6Å; W11-H61 AromaticContact NE1-CG 3.33Å; W11-H61 VanDerWaalsContact NE1-CG 3.33Å; W11-H61 AromaticContact NE1-ND1 3.72Å; W11-F81 HydrophobicContact CZ3-CE2 4.12Å
12L96.3Very high89.8Confident0 Ų074.4 Ų74.40%038%0.38CS..Hα-helixtrans-66.1-41.3-178.7-176.361.3000111.2M8 R9 M14 Q15 I16 F34 L54 F81 M85 I91 M111M8-L12 VanDerWaalsContact O-CB 3.32Å; M8-L12 WeakPolarHBondContact O-CB 3.5Å; M8-L12 PolarHBondContact O-N 2.96Å; R9-L12 PolarHBondContact O-N 3.32Å; R9-L12 VanDerWaalsContact O-N 3.13Å; L12-M14 VanDerWaalsContact C-N 3.33Å; L12-M14 PolarHBondContact O-N 3.11Å; L12-Q15 WeakPolarHBondContact O-CB 3.48Å; L12-Q15 PolarHBondContact O-N 3.5Å; L12-Q15 VanDerWaalsContact O-N 3.12Å; L12-I16 HydrophobicContact CG-CD1 4.02Å; L12-I16 HydrophobicContact CG-CG1 4.5Å; L12-I16 WeakPolarHBondContact O-CD1 3.33Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.28Å; L12-I16 PolarHBondContact O-N 3.17Å; L12-F34 HydrophobicContact CD2-CE2 3.77Å; L12-F34 HydrophobicContact CD2-CZ 3.66Å; L12-F34 HydrophobicContact CG-CE2 4.37Å; L12-F34 HydrophobicContact CG-CZ 4.49Å; L12-L54 HydrophobicContact CD1-CD1 4.22Å; L12-F81 HydrophobicContact CD1-CE2 4.39Å; L12-F81 HydrophobicContact CD1-CZ 4.17Å; L12-M85 HydrophobicContact CD2-CE 3.91Å; L12-M85 HydrophobicContact CD2-SD 3.57Å; L12-M85 VanDerWaalsContact CD2-SD 3.57Å; L12-I91 HydrophobicContact CD2-CD1 4.38Å; L12-M111 HydrophobicContact CD2-CE 4.33Å; L12-M111 HydrophobicContact CG-CE 4.32Å
13E94.9Very high91.6Very high63 Ų6370 Ų7029%0.29436%0.357SS..Hα-helixtrans-56.4-47174.2-173.7176.617100111.6R9 Q15 I16 N17 W26 M111R9-E13 PolarHBondContact O-N 3.49Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.05Å; E13-I16 PolarHBondContact O-N 2.93Å; E13-N17 WeakPolarHBondContact O-CB 3.5Å; E13-N17 VanDerWaalsContact O-CG 3.27Å; E13-N17 PolarHBondContact O-N 3.21Å; E13-N17 PolarHBondContact O-ND2 3.26Å; E13-W26 HydrophobicContact CG-CZ2 4.14Å; E13-M111 HydrophobicContact CB-CE 4.2Å; E13-M111 HydrophobicContact CB-SD 4.46Å
14M95.9Very high93.3Very high96 Ų9662.1 Ų62.147%0.47332%0.316SS..Hα-helixtrans-60.9-41.1174.7-175-179.675.600112.2M6 P10 W11 L12 N17 S18M6-M14 HydrophobicContact CE-CE 3.56Å; M6-M14 HydrophobicContact CE-SD 4.02Å; P10-M14 WeakPolarHBondContact O-CB 3.44Å; P10-M14 PolarHBondContact O-N 3.4Å; P10-M14 VanDerWaalsContact O-N 3.08Å; W11-M14 WeakPolarHBondContact O-CB 3.2Å; W11-M14 PolarHBondContact O-N 3.17Å; L12-M14 VanDerWaalsContact C-N 3.33Å; L12-M14 PolarHBondContact O-N 3.11Å; M14-N17 PolarHBondContact O-N 2.78Å; M14-S18 WeakPolarHBondContact O-CB 3.39Å; M14-S18 PolarHBondContact O-N 3.31Å
15Q96.4Very high94.2Very high24 Ų2459 Ų5911%0.11229%0.293CS..Hα-helixtrans-63.6-43.1177.2-67.3-55.2-73.100112W11 L12 E13 S18 I21 L24W11-Q15 HydrophobicContact CD2-CG 3.96Å; W11-Q15 HydrophobicContact CE3-CG 4.1Å; W11-Q15 HydrophobicContact CH2-CG 3.75Å; W11-Q15 HydrophobicContact CZ2-CG 3.6Å; W11-Q15 HydrophobicContact CZ3-CG 3.99Å; W11-Q15 WeakPolarHBondContact O-CG 3.32Å; W11-Q15 PolarHBondContact O-N 3.48Å; L12-Q15 WeakPolarHBondContact O-CB 3.48Å; L12-Q15 PolarHBondContact O-N 3.5Å; L12-Q15 VanDerWaalsContact O-N 3.12Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.05Å; Q15-S18 PolarHBondContact O-N 2.96Å; Q15-S18 PolarHBondContact O-OG 2.99Å; Q15-I21 HydrophobicContact CB-CD1 4.49Å; Q15-L24 HydrophobicContact CB-CD2 4.08Å
16I96.6Very high94.7Very high0 Ų054.5 Ų54.50%028%0.277CS..Hα-helixtrans-65-45.1178.1-56.9155.7000110.1L12 E13 S18 N19 L24 W26 F34 M111L12-I16 HydrophobicContact CG-CD1 4.02Å; L12-I16 HydrophobicContact CG-CG1 4.5Å; L12-I16 WeakPolarHBondContact O-CD1 3.33Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.28Å; L12-I16 PolarHBondContact O-N 3.17Å; E13-I16 PolarHBondContact O-N 2.93Å; I16-S18 PolarHBondContact O-N 3.08Å; I16-N19 PolarHBondContact O-N 2.84Å; I16-N19 VanDerWaalsContact O-N 3.14Å; I16-N19 PolarHBondContact O-OD1 3Å; I16-L24 HydrophobicContact CB-CG 4.38Å; I16-L24 HydrophobicContact CG1-CD1 3.74Å; I16-L24 HydrophobicContact CG1-CD2 3.99Å; I16-L24 HydrophobicContact CG1-CG 3.76Å; I16-W26 HydrophobicContact CB-CZ2 4.18Å; I16-W26 HydrophobicContact CD1-CH2 4.1Å; I16-W26 HydrophobicContact CD1-CZ2 4.03Å; I16-W26 VanDerWaalsContact CG2-CD1 3.5Å; I16-W26 HydrophobicContact CG2-CD2 3.83Å; I16-W26 HydrophobicContact CG2-CG 3.8Å; I16-W26 HydrophobicContact CG2-CZ2 4.15Å; I16-W26 VanDerWaalsContact CG2-NE1 3.34Å; I16-F34 HydrophobicContact CD1-CB 3.95Å; I16-F34 HydrophobicContact CD1-CD1 3.97Å; I16-F34 HydrophobicContact CD1-CD2 3.52Å; I16-F34 HydrophobicContact CD1-CE1 4.37Å; I16-F34 HydrophobicContact CD1-CE2 3.93Å; I16-F34 HydrophobicContact CD1-CG 3.53Å; I16-F34 HydrophobicContact CD1-CZ 4.33Å; I16-F34 HydrophobicContact CG1-CD2 4.3Å; I16-F34 HydrophobicContact CG2-CB 4.46Å; I16-M111 HydrophobicContact CD1-CE 3.83Å
17N95.9Very high94.8Very high73 Ų7355.2 Ų55.239%0.3928%0.281SS..Hα-helixtrans-65.1-23.6178.2-72.2-25.9000113.7E13 M14 N19 W26E13-N17 WeakPolarHBondContact O-CB 3.5Å; E13-N17 VanDerWaalsContact O-CG 3.27Å; E13-N17 PolarHBondContact O-N 3.21Å; E13-N17 PolarHBondContact O-ND2 3.26Å; M14-N17 PolarHBondContact O-N 2.78Å; N17-N19 VanDerWaalsContact C-N 3.28Å; N17-N19 PolarHBondContact O-OD1 3.35Å; N17-W26 PolarHBondContact OD1-NE1 3Å
18S95Very high94.9Very high41 Ų4147.6 Ų47.629%0.28726%0.256SS..Hα-helixtrans-75.6-18.7177.177.70000113.1M14 Q15 I16 Q20M14-S18 WeakPolarHBondContact O-CB 3.39Å; M14-S18 PolarHBondContact O-N 3.31Å; Q15-S18 PolarHBondContact O-N 2.96Å; Q15-S18 PolarHBondContact O-OG 2.99Å; I16-S18 PolarHBondContact O-N 3.08Å; S18-Q20 PolarHBondContact O-N 3.18Å; S18-Q20 PolarHBondContact OG-NE2 3.08Å
19N93.3Very high94.8Very high106 Ų10653.8 Ų53.857%0.56728%0.282SS*.THydrogen-bonded Turntrans51.818.8-178.8-67.191000115.1I16 N17I16-N19 PolarHBondContact O-N 2.84Å; I16-N19 VanDerWaalsContact O-N 3.14Å; I16-N19 PolarHBondContact O-OD1 3Å; N17-N19 VanDerWaalsContact C-N 3.28Å; N17-N19 PolarHBondContact O-OD1 3.35Å
20Q91.1Very high94.7Very high125 Ų12561 Ų6158%0.58432%0.318SS*.  trans-78.5-24-178.3-69.9-178.68400113.1S18S18-Q20 PolarHBondContact O-N 3.18Å; S18-Q20 PolarHBondContact OG-NE2 3.08Å
21I93Very high94.6Very high11 Ų1163.6 Ų63.66%0.05633%0.325CS..SBendtrans-97.1119.2-175.6-62.6166.9000108.6Q15 G23 L24 L54Q15-I21 HydrophobicContact CB-CD1 4.49Å; I21-G23 PolarHBondContact O-N 3.16Å; I21-L24 HydrophobicContact CB-CB 3.93Å; I21-L24 HydrophobicContact CB-CD2 4.05Å; I21-L24 HydrophobicContact CD1-CD2 3.85Å; I21-L24 HydrophobicContact CG1-CD2 4.5Å; I21-L24 HydrophobicContact CG2-CB 3.88Å; I21-L24 HydrophobicContact CG2-CD2 4.42Å; I21-L24 PolarHBondContact O-N 2.76Å; I21-L54 HydrophobicContact CD1-CB 3.95Å; I21-L54 HydrophobicContact CD1-CD1 3.62Å; I21-L54 HydrophobicContact CD1-CG 4.38Å; I21-L54 HydrophobicContact CG2-CB 4.19Å
22P92.4Very high94.6Very high83 Ų8365.6 Ų65.654%0.53934%0.335SS..THydrogen-bonded Turntrans-62.9129.7-176.725.6-33.6000110.7L24 P37P22-L24 VanDerWaalsContact C-N 3.25Å; P22-L24 PolarHBondContact O-N 2.81Å; P22-P37 WeakPolarHBondContact O-CG 3.45Å
23G92.4Very high94.6Very high30 Ų3066 Ų6631%0.30934%0.337SS..THydrogen-bonded Turntrans79.8-5.6178.500000115.7I21 I25 Q35 P37I21-G23 PolarHBondContact O-N 3.16Å; G23-I25 PolarHBondContact O-N 3.3Å; G23-Q35 PolarHBondContact O-NE2 2.77Å; G23-Q35 VanDerWaalsContact O-NE2 3.1Å; G23-P37 WeakPolarHBondContact O-CD 3.46Å
24L96.3Very high94.7Very high0 Ų063 Ų630%032%0.323CS..  trans-85.597.6167.1-179.869.6000109Q15 I16 I21 P22 Q35 I36 L54Q15-L24 HydrophobicContact CB-CD2 4.08Å; I16-L24 HydrophobicContact CB-CG 4.38Å; I16-L24 HydrophobicContact CG1-CD1 3.74Å; I16-L24 HydrophobicContact CG1-CD2 3.99Å; I16-L24 HydrophobicContact CG1-CG 3.76Å; I21-L24 HydrophobicContact CB-CB 3.93Å; I21-L24 HydrophobicContact CB-CD2 4.05Å; I21-L24 HydrophobicContact CD1-CD2 3.85Å; I21-L24 HydrophobicContact CG1-CD2 4.5Å; I21-L24 HydrophobicContact CG2-CB 3.88Å; I21-L24 HydrophobicContact CG2-CD2 4.42Å; I21-L24 PolarHBondContact O-N 2.76Å; P22-L24 VanDerWaalsContact C-N 3.25Å; P22-L24 PolarHBondContact O-N 2.81Å; L24-Q35 WeakPolarHBondContact CA-O 3.21Å; L24-Q35 WeakPolarHBondContact CD1-O 3.5Å; L24-I36 HydrophobicContact CD1-CG1 3.74Å; L24-L54 HydrophobicContact CD1-CD2 4.21Å; L24-L54 HydrophobicContact CD2-CD1 3.96Å; L24-L54 HydrophobicContact CD2-CD2 4.46Å
25I96Very high94.8Very high70 Ų7060.4 Ų60.436%0.35931%0.31SS..EExtended strand (participates in β ladder)trans-140.4154.1-173.360174.2000111.4G23 F34 Q35G23-I25 PolarHBondContact O-N 3.3Å; I25-F34 VanDerWaalsContact O-CA 3.27Å; I25-F34 WeakPolarHBondContact O-CA 3.41Å; I25-F34 WeakPolarHBondContact O-CB 3.49Å; I25-Q35 HydrophobicContact CD1-CG 4.34Å; I25-Q35 HydrophobicContact CG1-CG 3.52Å; I25-Q35 PolarHBondContact O-N 2.81Å
26W96.9Very high94.8Very high41 Ų4159.3 Ų59.316%0.15531%0.305CS..EExtended strand (participates in β ladder)trans-69.6124.5163.6-65.9109.5000109E13 I16 N17 K29 M32 F34 M111E13-W26 HydrophobicContact CG-CZ2 4.14Å; I16-W26 HydrophobicContact CB-CZ2 4.18Å; I16-W26 HydrophobicContact CD1-CH2 4.1Å; I16-W26 HydrophobicContact CD1-CZ2 4.03Å; I16-W26 VanDerWaalsContact CG2-CD1 3.5Å; I16-W26 HydrophobicContact CG2-CD2 3.83Å; I16-W26 HydrophobicContact CG2-CG 3.8Å; I16-W26 HydrophobicContact CG2-CZ2 4.15Å; I16-W26 VanDerWaalsContact CG2-NE1 3.34Å; N17-W26 PolarHBondContact OD1-NE1 3Å; W26-K29 HydrophobicContact CB-CB 4.41Å; W26-K29 HydrophobicContact CG-CB 4.47Å; W26-M32 HydrophobicContact CH2-SD 3.89Å; W26-M32 HydrophobicContact CZ3-CB 4.06Å; W26-M32 HydrophobicContact CZ3-SD 4.08Å; W26-F34 HydrophobicContact CD2-CB 4.32Å; W26-F34 HydrophobicContact CE3-CB 3.75Å; W26-F34 HydrophobicContact CE3-CD1 4.38Å; W26-F34 HydrophobicContact CE3-CG 4.5Å; W26-F34 HydrophobicContact CH2-CD1 4.32Å; W26-F34 HydrophobicContact CZ3-CB 3.99Å; W26-F34 AromaticContact CZ3-CD1 3.76Å; W26-F34 HydrophobicContact CZ3-CD1 3.76Å; W26-F34 HydrophobicContact CZ3-CG 4.26Å; W26-M111 HydrophobicContact CH2-CE 3.94Å; W26-M111 HydrophobicContact CH2-SD 4.12Å
27I95.9Very high94.7Very high82 Ų8260.8 Ų60.842%0.42131%0.314SS..EExtended strand (participates in β ladder)trans-80.3-48.2166.7-64175.3000108.2I33 Q35 V108I27-I33 HydrophobicContact CB-CG2 4.2Å; I27-I33 HydrophobicContact CD1-CG2 4.4Å; I27-I33 PolarHBondContact N-O 3.09Å; I27-Q35 HydrophobicContact CD1-CB 3.91Å; I27-Q35 HydrophobicContact CD1-CG 4.17Å; I27-Q35 HydrophobicContact CG1-CB 4.28Å; I27-Q35 HydrophobicContact CG1-CG 4.02Å; I27-V108 HydrophobicContact CD1-CB 4.47Å; I27-V108 HydrophobicContact CD1-CG1 3.85Å; I27-V108 HydrophobicContact CD1-CG2 3.77Å
28N95Very high94.7Very high49 Ų4958.7 Ų58.726%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-136.4111.8174.6-173.7-12.5000109E30 E31 M32 I33N28-E30 WeakPolarHBondContact OD1-CB 3.48Å; N28-E30 PolarHBondContact OD1-N 3.04Å; N28-E31 HydrophobicContact CB-CB 4.32Å; N28-E31 VanDerWaalsContact ND2-CD 3.29Å; N28-E31 VanDerWaalsContact ND2-CG 3.32Å; N28-E31 WeakPolarHBondContact ND2-CG 3.5Å; N28-E31 PolarHBondContact ND2-OE2 2.99Å; N28-E31 PolarHBondContact OD1-N 2.64Å; N28-M32 PolarHBondContact O-N 3.35Å; N28-M32 VanDerWaalsContact O-N 3.15Å; N28-I33 HydrophobicContact CB-CB 4.25Å; N28-I33 PolarHBondContact N-O 3.31Å; N28-I33 PolarHBondContact O-N 3.19Å
29K93.4Very high94.7Very high142 Ų14258 Ų5862%0.61729%0.293SS*.THydrogen-bonded Turntrans-73.3-28.9-179.2-169.8175179.7-179.80112.4W26 M32W26-K29 HydrophobicContact CB-CB 4.41Å; W26-K29 HydrophobicContact CG-CB 4.47Å; K29-M32 PolarHBondContact O-N 2.7Å
30E92.5Very high94.8Very high183 Ų18358.7 Ų58.786%0.85529%0.292SS*.THydrogen-bonded Turntrans-71.8-42.7-178.9-59.6-178177.100111.2N28 M32N28-E30 WeakPolarHBondContact OD1-CB 3.48Å; N28-E30 PolarHBondContact OD1-N 3.04Å; E30-M32 VanDerWaalsContact C-N 3.26Å; E30-M32 PolarHBondContact O-N 3.13Å
31E92.1Very high94.8Very high110 Ų11055.5 Ų55.551%0.51429%0.287SS..THydrogen-bonded Turntrans-85.51.7175.6-64.9-177.314500113.2N28 I33N28-E31 HydrophobicContact CB-CB 4.32Å; N28-E31 VanDerWaalsContact ND2-CD 3.29Å; N28-E31 VanDerWaalsContact ND2-CG 3.32Å; N28-E31 WeakPolarHBondContact ND2-CG 3.5Å; N28-E31 PolarHBondContact ND2-OE2 2.99Å; N28-E31 PolarHBondContact OD1-N 2.64Å; E31-I33 VanDerWaalsContact C-N 3.25Å; E31-I33 HydrophobicContact CB-CD1 3.82Å; E31-I33 HydrophobicContact CB-CG1 3.81Å; E31-I33 PolarHBondContact O-N 3.35Å; E31-I33 VanDerWaalsContact OE2-CD1 3.26Å; E31-I33 WeakPolarHBondContact OE2-CD1 2.92Å
32M95.3Very high94.8Very high48 Ų4859.2 Ų59.224%0.23632%0.319CS..THydrogen-bonded Turntrans52.342.8-176.2-60.9-77.5-105.800112.7W26 N28 K29 E30 R110 M111W26-M32 HydrophobicContact CH2-SD 3.89Å; W26-M32 HydrophobicContact CZ3-CB 4.06Å; W26-M32 HydrophobicContact CZ3-SD 4.08Å; N28-M32 PolarHBondContact O-N 3.35Å; N28-M32 VanDerWaalsContact O-N 3.15Å; K29-M32 PolarHBondContact O-N 2.7Å; E30-M32 VanDerWaalsContact C-N 3.26Å; E30-M32 PolarHBondContact O-N 3.13Å; M32-R110 WeakPolarHBondContact O-CA 3.44Å; M32-M111 HydrophobicContact CB-CB 3.91Å; M32-M111 PolarHBondContact O-N 3.29Å
33I96.6Very high94.8Very high9 Ų960.6 Ų60.65%0.04632%0.317CS..EExtended strand (participates in β ladder)trans-98127.1176.4-57.2177.2000109.3I27 N28 E31 V108 Y109 R110I27-I33 HydrophobicContact CB-CG2 4.2Å; I27-I33 HydrophobicContact CD1-CG2 4.4Å; I27-I33 PolarHBondContact N-O 3.09Å; N28-I33 HydrophobicContact CB-CB 4.25Å; N28-I33 PolarHBondContact N-O 3.31Å; N28-I33 PolarHBondContact O-N 3.19Å; E31-I33 VanDerWaalsContact C-N 3.25Å; E31-I33 HydrophobicContact CB-CD1 3.82Å; E31-I33 HydrophobicContact CB-CG1 3.81Å; E31-I33 PolarHBondContact O-N 3.35Å; E31-I33 VanDerWaalsContact OE2-CD1 3.26Å; E31-I33 WeakPolarHBondContact OE2-CD1 2.92Å; I33-V108 HydrophobicContact CG2-CG1 3.45Å; I33-V108 VanDerWaalsContact CG2-CG1 3.45Å; I33-Y109 WeakPolarHBondContact CA-O 3.43Å; I33-R110 HydrophobicContact CG1-CB 4.17Å; I33-R110 HydrophobicContact CG1-CG 3.97Å
34F97.1Very high94.8Very high0 Ų068 Ų680%034%0.343CS..EExtended strand (participates in β ladder)trans-138.2159-179.464.1-82.3000110.8L12 I16 I25 W26 I36 M85 I91 V108 Y109 M111L12-F34 HydrophobicContact CD2-CE2 3.77Å; L12-F34 HydrophobicContact CD2-CZ 3.66Å; L12-F34 HydrophobicContact CG-CE2 4.37Å; L12-F34 HydrophobicContact CG-CZ 4.49Å; I16-F34 HydrophobicContact CD1-CB 3.95Å; I16-F34 HydrophobicContact CD1-CD1 3.97Å; I16-F34 HydrophobicContact CD1-CD2 3.52Å; I16-F34 HydrophobicContact CD1-CE1 4.37Å; I16-F34 HydrophobicContact CD1-CE2 3.93Å; I16-F34 HydrophobicContact CD1-CG 3.53Å; I16-F34 HydrophobicContact CD1-CZ 4.33Å; I16-F34 HydrophobicContact CG1-CD2 4.3Å; I16-F34 HydrophobicContact CG2-CB 4.46Å; I25-F34 VanDerWaalsContact O-CA 3.27Å; I25-F34 WeakPolarHBondContact O-CA 3.41Å; I25-F34 WeakPolarHBondContact O-CB 3.49Å; W26-F34 HydrophobicContact CD2-CB 4.32Å; W26-F34 HydrophobicContact CE3-CB 3.75Å; W26-F34 HydrophobicContact CE3-CD1 4.38Å; W26-F34 HydrophobicContact CE3-CG 4.5Å; W26-F34 HydrophobicContact CH2-CD1 4.32Å; W26-F34 HydrophobicContact CZ3-CB 3.99Å; W26-F34 AromaticContact CZ3-CD1 3.76Å; W26-F34 HydrophobicContact CZ3-CD1 3.76Å; W26-F34 HydrophobicContact CZ3-CG 4.26Å; F34-I36 HydrophobicContact CD2-CG1 4.1Å; F34-I36 HydrophobicContact CE2-CD1 3.85Å; F34-I36 HydrophobicContact CE2-CG1 3.93Å; F34-M85 HydrophobicContact CZ-CE 4.16Å; F34-I91 HydrophobicContact CZ-CG2 4.41Å; F34-V108 WeakPolarHBondContact O-CA 3.23Å; F34-Y109 WeakPolarHBondContact CD1-O 3.37Å; F34-Y109 HydrophobicContact CE2-CD2 4.28Å; F34-Y109 HydrophobicContact CE2-CG 4.35Å; F34-Y109 HydrophobicContact CZ-CG 4.21Å; F34-Y109 PolarHBondContact N-O 3.08Å; F34-Y109 PolarHBondContact O-N 3.43Å; F34-M111 HydrophobicContact CD1-CE 4.05Å; F34-M111 HydrophobicContact CD1-CG 4.2Å; F34-M111 HydrophobicContact CE1-CE 3.53Å; F34-M111 HydrophobicContact CE1-CG 3.56Å; F34-M111 HydrophobicContact CE1-SD 4.42Å; F34-M111 HydrophobicContact CZ-CE 3.91Å
35Q97.1Very high94.5Very high41 Ų4170.4 Ų70.419%0.19237%0.368CS..EExtended strand (participates in β ladder)trans-113.5149.8175.853169.277.200112.1G23 L24 I25 I27 R107 V108G23-Q35 PolarHBondContact O-NE2 2.77Å; G23-Q35 VanDerWaalsContact O-NE2 3.1Å; L24-Q35 WeakPolarHBondContact CA-O 3.21Å; L24-Q35 WeakPolarHBondContact CD1-O 3.5Å; I25-Q35 HydrophobicContact CD1-CG 4.34Å; I25-Q35 HydrophobicContact CG1-CG 3.52Å; I25-Q35 PolarHBondContact O-N 2.81Å; I27-Q35 HydrophobicContact CD1-CB 3.91Å; I27-Q35 HydrophobicContact CD1-CG 4.17Å; I27-Q35 HydrophobicContact CG1-CB 4.28Å; I27-Q35 HydrophobicContact CG1-CG 4.02Å; Q35-R107 CarbonylContact C-O 3.43Å; Q35-R107 WeakPolarHBondContact CA-O 3.49Å; Q35-V108 HydrophobicContact CB-CG2 4.3Å
36I97Very high94.4Very high1 Ų170.4 Ų70.41%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-123.1127.3172.1-57.2176.4000108.9L24 F34 W38 L54 F81 M85 V106 R107 Y109L24-I36 HydrophobicContact CD1-CG1 3.74Å; F34-I36 HydrophobicContact CD2-CG1 4.1Å; F34-I36 HydrophobicContact CE2-CD1 3.85Å; F34-I36 HydrophobicContact CE2-CG1 3.93Å; I36-W38 HydrophobicContact CB-CE3 4.22Å; I36-W38 HydrophobicContact CB-CZ3 4.36Å; I36-W38 HydrophobicContact CD1-CZ3 4.47Å; I36-W38 HydrophobicContact CG2-CE3 3.76Å; I36-W38 HydrophobicContact CG2-CZ3 3.85Å; I36-W38 PolarHBondContact O-N 3.13Å; I36-L54 HydrophobicContact CD1-CD2 4.24Å; I36-L54 HydrophobicContact CG1-CD2 4.34Å; I36-L54 HydrophobicContact CG2-CD2 3.55Å; I36-F81 HydrophobicContact CD1-CE1 3.83Å; I36-F81 HydrophobicContact CD1-CZ 3.86Å; I36-M85 HydrophobicContact CD1-CE 4.46Å; I36-V106 WeakPolarHBondContact O-CA 3.41Å; I36-R107 PolarHBondContact N-O 2.97Å; I36-R107 PolarHBondContact O-N 3.21Å; I36-Y109 HydrophobicContact CD1-CD2 3.89Å; I36-Y109 HydrophobicContact CD1-CE2 3.98Å; I36-Y109 HydrophobicContact CG1-CD2 4.27Å
37P95.4Very high94.2Very high31 Ų3171 Ų7120%0.20137%0.37CS..EExtended strand (participates in β ladder)trans-59.4129.7169.5-22.434.6000111.2P22 G23P22-P37 WeakPolarHBondContact O-CG 3.45Å; G23-P37 WeakPolarHBondContact O-CD 3.46Å
38W95.7Very high94.1Very high30 Ų3069.4 Ų69.411%0.11436%0.362CS..  trans-126.325.3-172.5-144.1-95.1000114I36 H40 F55 K78 F81 R82 A105 R107I36-W38 HydrophobicContact CB-CE3 4.22Å; I36-W38 HydrophobicContact CB-CZ3 4.36Å; I36-W38 HydrophobicContact CD1-CZ3 4.47Å; I36-W38 HydrophobicContact CG2-CE3 3.76Å; I36-W38 HydrophobicContact CG2-CZ3 3.85Å; I36-W38 PolarHBondContact O-N 3.13Å; W38-H40 PolarHBondContact O-N 2.69Å; W38-F55 HydrophobicContact CE3-CE1 4.44Å; W38-F55 HydrophobicContact CE3-CZ 4.05Å; W38-F55 HydrophobicContact CH2-CE1 4.07Å; W38-F55 HydrophobicContact CH2-CZ 4.31Å; W38-F55 AromaticContact CZ3-CE1 3.84Å; W38-F55 HydrophobicContact CZ3-CE1 3.84Å; W38-F55 AromaticContact CZ3-CZ 3.91Å; W38-F55 HydrophobicContact CZ3-CZ 3.91Å; W38-K78 HydrophobicContact CZ2-CG 4.49Å; W38-K78 PolarHBondContact O-NZ 2.81Å; W38-F81 AromaticContact CH2-CD1 3.9Å; W38-F81 HydrophobicContact CH2-CD1 3.9Å; W38-F81 HydrophobicContact CH2-CE1 4.13Å; W38-F81 HydrophobicContact CZ3-CD1 4.19Å; W38-F81 HydrophobicContact CZ3-CE1 4.03Å; W38-R82 HydrophobicContact CH2-CB 4.45Å; W38-R82 HydrophobicContact CZ2-CB 4.22Å; W38-R82 HydrophobicContact CZ2-CG 4.4Å; W38-A105 PolarHBondContact N-O 3.47Å; W38-R107 HydrophobicContact CB-CG 3.96Å; W38-R107 HydrophobicContact CD2-CG 4.05Å; W38-R107 HydrophobicContact CE3-CB 4.41Å; W38-R107 HydrophobicContact CE3-CG 4.32Å; W38-R107 HydrophobicContact CG-CG 3.88Å
39K94.9Very high93.9Very high26 Ų2671.9 Ų71.911%0.11338%0.375CS..  trans-47.9138.1179-166.7176.9-179.5174.70111.9K43 H44 G45 W46 K78 S103K39-K43 HydrophobicContact CG-CB 4.5Å; K39-H44 WeakPolarHBondContact CE-O 3.41Å; K39-H44 PolarHBondContact NZ-O 3.44Å; K39-G45 PolarHBondContact NZ-O 3.44Å; K39-W46 HydrophobicContact CD-CB 4.41Å; K39-K78 PolarHBondContact O-NZ 2.72Å; K39-S103 WeakPolarHBondContact CD-O 3.49Å
40H94.2Very high93.8Very high120 Ų12071.7 Ų71.756%0.55637%0.374SS*.  trans-80.9136.9179.9-168.8-78.1000110.2W38 A42 K43W38-H40 PolarHBondContact O-N 2.69Å; H40-A42 VanDerWaalsContact C-N 3.26Å; H40-A42 PolarHBondContact ND1-N 3.15Å; H40-A42 VanDerWaalsContact ND1-N 3.17Å; H40-A42 PolarHBondContact O-N 3.47Å; H40-K43 HydrophobicContact CB-CG 3.93Å; H40-K43 WeakPolarHBondContact O-CB 3.36Å; H40-K43 PolarHBondContact O-N 2.82Å
41A92.2Very high93.9Very high58 Ų5864.8 Ų64.848%0.47934%0.343SS..THydrogen-bonded Turntrans-61.2-34.2-173.700000113.5K43 W46A41-K43 PolarHBondContact O-N 2.91Å; A41-W46 HydrophobicContact CB-CD2 3.96Å; A41-W46 HydrophobicContact CB-CE3 4.26Å; A41-W46 HydrophobicContact CB-CG 4.47Å; A41-W46 HydrophobicContact CB-CH2 4.35Å; A41-W46 HydrophobicContact CB-CZ2 4.05Å; A41-W46 HydrophobicContact CB-CZ3 4.44Å; A41-W46 WeakPolarHBondContact O-CB 3.48Å
42A92.4Very high94Very high89 Ų8959.6 Ų59.674%0.73632%0.319SS*.THydrogen-bonded Turntrans-77.35175.700000114.9H40H40-A42 VanDerWaalsContact C-N 3.26Å; H40-A42 PolarHBondContact ND1-N 3.15Å; H40-A42 VanDerWaalsContact ND1-N 3.17Å; H40-A42 PolarHBondContact O-N 3.47Å
43K92.8Very high94Very high113 Ų11359 Ų5949%0.49132%0.32SS..SBendtrans-87146177-73.6-72.8-177.9-173.30110.5K39 H40 A41 W46K39-K43 HydrophobicContact CG-CB 4.5Å; H40-K43 HydrophobicContact CB-CG 3.93Å; H40-K43 WeakPolarHBondContact O-CB 3.36Å; H40-K43 PolarHBondContact O-N 2.82Å; A41-K43 PolarHBondContact O-N 2.91Å; K43-W46 VanDerWaalsContact O-CB 3.23Å; K43-W46 WeakPolarHBondContact O-CB 3.25Å; K43-W46 PolarHBondContact O-N 3.14Å; K43-W46 VanDerWaalsContact O-N 3.16Å
44H91.4Very high94Very high184 Ų18459 Ų5985%0.85232%0.319SS*.THydrogen-bonded Turntrans-56.3140.7176.9-176.572000112.2K39 W46K39-H44 WeakPolarHBondContact CE-O 3.41Å; K39-H44 PolarHBondContact NZ-O 3.44Å; H44-W46 PolarHBondContact O-N 3.17Å
45G89.9Confident94Very high51 Ų5159.3 Ų59.353%0.52632%0.321SS..THydrogen-bonded Turntrans65.121.3-176.500000114.2K39K39-G45 PolarHBondContact NZ-O 3.44Å
46W94.3Very high93.9Very high71 Ų7161.4 Ų61.427%0.26933%0.327SS..  trans-74.2131.2168.5-177.187.7000109.5K39 A41 K43 H44 I48 D51 A52 P74K39-W46 HydrophobicContact CD-CB 4.41Å; A41-W46 HydrophobicContact CB-CD2 3.96Å; A41-W46 HydrophobicContact CB-CE3 4.26Å; A41-W46 HydrophobicContact CB-CG 4.47Å; A41-W46 HydrophobicContact CB-CH2 4.35Å; A41-W46 HydrophobicContact CB-CZ2 4.05Å; A41-W46 HydrophobicContact CB-CZ3 4.44Å; A41-W46 WeakPolarHBondContact O-CB 3.48Å; K43-W46 VanDerWaalsContact O-CB 3.23Å; K43-W46 WeakPolarHBondContact O-CB 3.25Å; K43-W46 PolarHBondContact O-N 3.14Å; K43-W46 VanDerWaalsContact O-N 3.16Å; H44-W46 PolarHBondContact O-N 3.17Å; W46-I48 HydrophobicContact CH2-CB 4.19Å; W46-I48 HydrophobicContact CZ3-CB 4.28Å; W46-D51 VanDerWaalsContact CA-OD2 3.28Å; W46-D51 WeakPolarHBondContact CA-OD2 3.46Å; W46-D51 HydrophobicContact CG-CB 4.36Å; W46-D51 VanDerWaalsContact NE1-CB 3.29Å; W46-A52 HydrophobicContact CZ2-CB 4.14Å; W46-P74 HydrophobicContact CH2-CB 3.68Å; W46-P74 HydrophobicContact CH2-CG 3.92Å; W46-P74 HydrophobicContact CZ2-CB 4.06Å
47D93.8Very high93.9Very high53 Ų5363 Ų6328%0.28334%0.338SS..  trans-129.8128.3-176.1-180-12.7000109.9N49 K50 D51D47-N49 VanDerWaalsContact C-N 3.27Å; D47-N49 PolarHBondContact O-N 3.01Å; D47-N49 PolarHBondContact OD1-N 2.74Å; D47-K50 HydrophobicContact CB-CB 4.23Å; D47-K50 HydrophobicContact CB-CD 4.34Å; D47-K50 HydrophobicContact CB-CG 4.32Å; D47-K50 PolarHBondContact O-N 2.6Å; D47-D51 PolarHBondContact N-OD2 3.43Å; D47-D51 WeakPolarHBondContact O-CA 3.49Å; D47-D51 VanDerWaalsContact O-CB 3.3Å; D47-D51 WeakPolarHBondContact O-CB 3.4Å; D47-D51 PolarHBondContact O-N 2.98Å
48I92.5Very high93.9Very high48 Ų4862.7 Ų62.725%0.24633%0.333CS..Hα-helixtrans-56.1-39.4177.2-172.9171.9000112.9W46 K50 A52 P72 P74 W77W46-I48 HydrophobicContact CH2-CB 4.19Å; W46-I48 HydrophobicContact CZ3-CB 4.28Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-A52 HydrophobicContact CG1-CB 4.18Å; I48-A52 WeakPolarHBondContact O-CA 3.38Å; I48-A52 WeakPolarHBondContact O-CB 3.32Å; I48-A52 PolarHBondContact O-N 3.19Å; I48-P72 HydrophobicContact CD1-CB 3.96Å; I48-P72 HydrophobicContact CD1-CG 4.42Å; I48-P74 HydrophobicContact CB-CG 4.46Å; I48-P74 HydrophobicContact CD1-CG 3.33Å; I48-P74 HydrophobicContact CG1-CG 3.56Å; I48-W77 HydrophobicContact CD1-CZ3 4.43Å
49N91.4Very high93.9Very high102 Ų10261.5 Ų61.555%0.54533%0.33SS..Hα-helixtrans-75.8-27.3-174.9-65.7-49.4000112D47 C53D47-N49 VanDerWaalsContact C-N 3.27Å; D47-N49 PolarHBondContact O-N 3.01Å; D47-N49 PolarHBondContact OD1-N 2.74Å; N49-C53 WeakPolarHBondContact O-CB 3.45Å
50K92.3Very high93.9Very high137 Ų13764 Ų6460%0.59634%0.344SS*.Hα-helixtrans-96.1-56.3-178.9-60178.8-175177.70111.3D47 I48D47-K50 HydrophobicContact CB-CB 4.23Å; D47-K50 HydrophobicContact CB-CD 4.34Å; D47-K50 HydrophobicContact CB-CG 4.32Å; D47-K50 PolarHBondContact O-N 2.6Å; I48-K50 VanDerWaalsContact C-N 3.34Å
51D93.6Very high93.9Very high38 Ų3860.5 Ų60.520%0.20333%0.327CS..Hα-helixtrans-82.5-24.2-171.6-63-59.4000113.2W46 D47W46-D51 VanDerWaalsContact CA-OD2 3.28Å; W46-D51 WeakPolarHBondContact CA-OD2 3.46Å; W46-D51 HydrophobicContact CG-CB 4.36Å; W46-D51 VanDerWaalsContact NE1-CB 3.29Å; D47-D51 PolarHBondContact N-OD2 3.43Å; D47-D51 WeakPolarHBondContact O-CA 3.49Å; D47-D51 VanDerWaalsContact O-CB 3.3Å; D47-D51 WeakPolarHBondContact O-CB 3.4Å; D47-D51 PolarHBondContact O-N 2.98Å
52A95.2Very high94Very high1 Ų158.8 Ų58.81%0.00831%0.311CS..SBendtrans-101.92.8178.200000114.1W46 I48 L54 F55 R56 P74W46-A52 HydrophobicContact CZ2-CB 4.14Å; I48-A52 HydrophobicContact CG1-CB 4.18Å; I48-A52 WeakPolarHBondContact O-CA 3.38Å; I48-A52 WeakPolarHBondContact O-CB 3.32Å; I48-A52 PolarHBondContact O-N 3.19Å; A52-L54 PolarHBondContact O-N 3.05Å; A52-F55 HydrophobicContact CB-CD2 4.46Å; A52-F55 PolarHBondContact O-N 2.84Å; A52-F55 VanDerWaalsContact O-N 3.11Å; A52-R56 WeakPolarHBondContact O-CB 3.49Å; A52-R56 PolarHBondContact O-N 2.85Å; A52-P74 HydrophobicContact CB-CB 3.97Å; A52-P74 HydrophobicContact CB-CG 4.49Å
53C95.3Very high94Very high37 Ų3756.3 Ų56.325%0.2529%0.294CS..Hα-helixtrans-53.2-50.8-176.2-173.50000112.6N49 F55 R56 S57N49-C53 WeakPolarHBondContact O-CB 3.45Å; C53-F55 PolarHBondContact O-N 3.15Å; C53-R56 PolarHBondContact O-N 3.05Å; C53-S57 PolarHBondContact O-N 3.2Å; C53-S57 PolarHBondContact O-OG 2.87Å
54L96.3Very high93.9Very high7 Ų759.9 Ų59.94%0.03731%0.305CS..Hα-helixtrans-58.6-45.9177.4179.159.7000112.8W11 L12 I21 L24 I36 A52 S57 W58 F81W11-L54 HydrophobicContact CH2-CD1 3.8Å; W11-L54 HydrophobicContact CZ3-CD1 4.04Å; L12-L54 HydrophobicContact CD1-CD1 4.22Å; I21-L54 HydrophobicContact CD1-CB 3.95Å; I21-L54 HydrophobicContact CD1-CD1 3.62Å; I21-L54 HydrophobicContact CD1-CG 4.38Å; I21-L54 HydrophobicContact CG2-CB 4.19Å; L24-L54 HydrophobicContact CD1-CD2 4.21Å; L24-L54 HydrophobicContact CD2-CD1 3.96Å; L24-L54 HydrophobicContact CD2-CD2 4.46Å; I36-L54 HydrophobicContact CD1-CD2 4.24Å; I36-L54 HydrophobicContact CG1-CD2 4.34Å; I36-L54 HydrophobicContact CG2-CD2 3.55Å; A52-L54 PolarHBondContact O-N 3.05Å; L54-S57 PolarHBondContact O-N 2.93Å; L54-W58 PolarHBondContact O-N 3.38Å; L54-F81 HydrophobicContact CD1-CE2 4.46Å; L54-F81 HydrophobicContact CD2-CE1 4.44Å; L54-F81 HydrophobicContact CD2-CE2 4.26Å; L54-F81 HydrophobicContact CD2-CZ 3.9Å; L54-F81 HydrophobicContact CG-CE2 4.18Å; L54-F81 HydrophobicContact CG-CZ 4.34Å
55F96.9Very high94.1Very high7 Ų751.9 Ų51.93%0.03127%0.267CS..Hα-helixtrans-69.1-38.1-176.5-50.1-50.4000111.1W38 A52 C53 W58 A59 W77 K78 F81W38-F55 HydrophobicContact CE3-CE1 4.44Å; W38-F55 HydrophobicContact CE3-CZ 4.05Å; W38-F55 HydrophobicContact CH2-CE1 4.07Å; W38-F55 HydrophobicContact CH2-CZ 4.31Å; W38-F55 AromaticContact CZ3-CE1 3.84Å; W38-F55 HydrophobicContact CZ3-CE1 3.84Å; W38-F55 AromaticContact CZ3-CZ 3.91Å; W38-F55 HydrophobicContact CZ3-CZ 3.91Å; A52-F55 HydrophobicContact CB-CD2 4.46Å; A52-F55 PolarHBondContact O-N 2.84Å; A52-F55 VanDerWaalsContact O-N 3.11Å; C53-F55 PolarHBondContact O-N 3.15Å; F55-W58 PolarHBondContact O-N 3.44Å; F55-A59 WeakPolarHBondContact O-CB 3.26Å; F55-A59 PolarHBondContact O-N 3Å; F55-W77 HydrophobicContact CB-CB 3.76Å; F55-K78 HydrophobicContact CD2-CB 3.95Å; F55-K78 HydrophobicContact CD2-CD 4.41Å; F55-K78 HydrophobicContact CD2-CG 4.08Å; F55-K78 HydrophobicContact CE1-CG 4.3Å; F55-K78 HydrophobicContact CE2-CB 4.25Å; F55-K78 HydrophobicContact CE2-CD 3.93Å; F55-K78 HydrophobicContact CE2-CG 3.85Å; F55-K78 HydrophobicContact CG-CB 4.14Å; F55-K78 HydrophobicContact CG-CG 4.44Å; F55-K78 HydrophobicContact CZ-CD 4.3Å; F55-K78 HydrophobicContact CZ-CG 3.97Å; F55-F81 HydrophobicContact CD1-CB 3.71Å; F55-F81 AromaticContact CD1-CD1 3.75Å; F55-F81 HydrophobicContact CD1-CD1 3.75Å; F55-F81 HydrophobicContact CD1-CD2 4.19Å; F55-F81 HydrophobicContact CD1-CE1 4.45Å; F55-F81 AromaticContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CE1-CB 4.31Å; F55-F81 AromaticContact CE1-CD1 3.56Å; F55-F81 HydrophobicContact CE1-CD1 3.56Å; F55-F81 HydrophobicContact CE1-CE1 4.03Å; F55-F81 AromaticContact CE1-CG 3.94Å; F55-F81 HydrophobicContact CE1-CG 3.94Å
56R95.5Very high94.1Very high85 Ų8555 Ų5532%0.32127%0.266SS..Hα-helixtrans-60.7-50172.4-177.2-179.5172.3179.3-0.9110.8A52 C53 W58 A59 I60 Y65 W77A52-R56 WeakPolarHBondContact O-CB 3.49Å; A52-R56 PolarHBondContact O-N 2.85Å; C53-R56 PolarHBondContact O-N 3.05Å; R56-W58 VanDerWaalsContact C-N 3.27Å; R56-W58 PolarHBondContact O-N 3.3Å; R56-A59 WeakPolarHBondContact O-CB 3.25Å; R56-A59 PolarHBondContact O-N 2.85Å; R56-I60 HydrophobicContact CG-CD1 3.98Å; R56-I60 HydrophobicContact CG-CG1 4.5Å; R56-I60 WeakPolarHBondContact O-CG1 3.44Å; R56-I60 PolarHBondContact O-N 3.44Å; R56-Y65 HydrophobicContact CG-CD1 4.37Å; R56-Y65 HydrophobicContact CG-CE1 4.22Å; R56-W77 HydrophobicContact CB-CE3 3.71Å; R56-W77 HydrophobicContact CB-CH2 4.27Å; R56-W77 HydrophobicContact CB-CZ3 3.58Å; R56-W77 HydrophobicContact CG-CE3 4.25Å; R56-W77 HydrophobicContact CG-CH2 3.92Å; R56-W77 HydrophobicContact CG-CZ3 3.74Å
57S95.8Very high93.9Very high36 Ų3654.7 Ų54.725%0.25228%0.279SS..Hα-helixtrans-58.6-38.7178.4-64.40000112.1C53 L54 H61C53-S57 PolarHBondContact O-N 3.2Å; C53-S57 PolarHBondContact O-OG 2.87Å; L54-S57 PolarHBondContact O-N 2.93Å; S57-H61 VanDerWaalsContact O-CB 3.23Å; S57-H61 WeakPolarHBondContact O-CB 3.37Å; S57-H61 PolarHBondContact O-N 3.31Å
58W96.2Very high93.6Very high23 Ų2356.3 Ų56.39%0.08731%0.307CS..Hα-helixtrans-66.3-41.2173.8-178.4-120.1000112.8M8 W11 L54 F55 R56 H61 T62 F81 A84M8-W58 VanDerWaalsContact CA-CH2 3.5Å; M8-W58 HydrophobicContact CB-CH2 3.47Å; M8-W58 VanDerWaalsContact CB-CH2 3.47Å; M8-W58 HydrophobicContact CB-CZ2 3.9Å; M8-W58 HydrophobicContact CB-CZ3 4.14Å; M8-W58 HydrophobicContact CE-CZ2 4.5Å; M8-W58 HydrophobicContact CG-CH2 3.72Å; M8-W58 HydrophobicContact CG-CZ2 3.89Å; M8-W58 HydrophobicContact CG-CZ3 4.12Å; M8-W58 HydrophobicContact SD-CZ2 4.17Å; W11-W58 HydrophobicContact CB-CZ3 4.14Å; W11-W58 AromaticContact CD2-CE3 3.47Å; W11-W58 HydrophobicContact CD2-CE3 3.47Å; W11-W58 VanDerWaalsContact CD2-CE3 3.47Å; W11-W58 AromaticContact CD2-CZ3 3.69Å; W11-W58 HydrophobicContact CD2-CZ3 3.69Å; W11-W58 AromaticContact CE2-CE3 3.81Å; W11-W58 HydrophobicContact CE3-CD2 4.3Å; W11-W58 AromaticContact CE3-CE3 3.34Å; W11-W58 HydrophobicContact CE3-CE3 3.34Å; W11-W58 AromaticContact CE3-CZ3 3.72Å; W11-W58 HydrophobicContact CE3-CZ3 3.72Å; W11-W58 HydrophobicContact CG-CE3 4.12Å; W11-W58 AromaticContact CG-CZ3 3.88Å; W11-W58 HydrophobicContact CG-CZ3 3.88Å; W11-W58 HydrophobicContact CH2-CB 3.56Å; W11-W58 HydrophobicContact CH2-CD2 4.43Å; W11-W58 AromaticContact CH2-CE3 3.93Å; W11-W58 HydrophobicContact CH2-CE3 3.93Å; W11-W58 HydrophobicContact CH2-CG 4.36Å; W11-W58 HydrophobicContact CZ2-CB 4.1Å; W11-W58 HydrophobicContact CZ2-CE3 4.04Å; W11-W58 HydrophobicContact CZ3-CB 4.03Å; W11-W58 HydrophobicContact CZ3-CD2 4.18Å; W11-W58 AromaticContact CZ3-CE3 3.6Å; W11-W58 HydrophobicContact CZ3-CE3 3.6Å; W11-W58 HydrophobicContact CZ3-CG 4.4Å; W11-W58 HydrophobicContact CZ3-CZ3 4.41Å; L54-W58 PolarHBondContact O-N 3.38Å; F55-W58 PolarHBondContact O-N 3.44Å; R56-W58 VanDerWaalsContact C-N 3.27Å; R56-W58 PolarHBondContact O-N 3.3Å; W58-H61 HydrophobicContact CE3-CB 4.47Å; W58-H61 AromaticContact CE3-ND1 3.66Å; W58-H61 AromaticContact CZ3-CE1 3.86Å; W58-H61 AromaticContact CZ3-ND1 3.28Å; W58-H61 VanDerWaalsContact CZ3-ND1 3.28Å; W58-H61 WeakPolarHBondContact CZ3-ND1 3.49Å; W58-H61 PolarHBondContact O-N 3.44Å; W58-T62 HydrophobicContact CD2-CG2 3.81Å; W58-T62 VanDerWaalsContact CE2-CG2 3.44Å; W58-T62 HydrophobicContact CE3-CG2 4.13Å; W58-T62 HydrophobicContact CG-CG2 4.47Å; W58-T62 HydrophobicContact CH2-CG2 3.79Å; W58-T62 HydrophobicContact CZ2-CG2 3.44Å; W58-T62 VanDerWaalsContact CZ2-CG2 3.44Å; W58-T62 HydrophobicContact CZ3-CG2 4.14Å; W58-T62 WeakPolarHBondContact O-CB 3.49Å; W58-T62 WeakPolarHBondContact O-CG2 3.45Å; W58-T62 PolarHBondContact O-N 2.81Å; W58-T62 PolarHBondContact O-OG1 2.96Å; W58-F81 HydrophobicContact CB-CD2 3.92Å; W58-F81 AromaticContact CD1-CD2 3.83Å; W58-F81 AromaticContact CG-CD2 3.84Å; W58-F81 HydrophobicContact CG-CD2 3.84Å; W58-A84 HydrophobicContact CZ2-CB 4.27Å
59A96.1Very high93.5Very high5 Ų561 Ų614%0.04133%0.328CS..Hα-helixtrans-65.1-39.5178.200000112.1F55 R56 T62 G63 R64 Y65 W77F55-A59 WeakPolarHBondContact O-CB 3.26Å; F55-A59 PolarHBondContact O-N 3Å; R56-A59 WeakPolarHBondContact O-CB 3.25Å; R56-A59 PolarHBondContact O-N 2.85Å; A59-T62 WeakPolarHBondContact CA-OG1 3.17Å; A59-T62 CarbonylContact O-C 3.55Å; A59-T62 PolarHBondContact O-OG1 3.12Å; A59-G63 PolarHBondContact O-N 3.19Å; A59-R64 PolarHBondContact O-N 2.98Å; A59-Y65 PolarHBondContact O-N 2.93Å; A59-Y65 VanDerWaalsContact O-N 3.15Å; A59-W77 HydrophobicContact CB-CB 4.32Å; A59-W77 VanDerWaalsContact CB-CD1 3.42Å; A59-W77 HydrophobicContact CB-CD2 4.26Å; A59-W77 HydrophobicContact CB-CG 3.75Å
60I94.6Very high93.4Very high80 Ų8062 Ų6241%0.4133%0.328SS..Hα-helixtrans-65-50.2172.8-64.8171.8000110R56 T62 G63 Y65R56-I60 HydrophobicContact CG-CD1 3.98Å; R56-I60 HydrophobicContact CG-CG1 4.5Å; R56-I60 WeakPolarHBondContact O-CG1 3.44Å; R56-I60 PolarHBondContact O-N 3.44Å; I60-T62 VanDerWaalsContact C-N 3.27Å; I60-T62 PolarHBondContact O-N 3.38Å; I60-G63 WeakPolarHBondContact O-CA 3.35Å; I60-G63 PolarHBondContact O-N 3.41Å; I60-Y65 WeakPolarHBondContact CA-O 2.98Å; I60-Y65 HydrophobicContact CD1-CD1 4.31Å; I60-Y65 HydrophobicContact CD1-CE1 4.49Å; I60-Y65 HydrophobicContact CG1-CD1 3.69Å; I60-Y65 HydrophobicContact CG1-CE1 4.33Å
61H94Very high93.3Very high45 Ų4563.3 Ų63.321%0.20834%0.336CS..Hα-helixtrans-57.4-44179.8175.8-108.5000111.1R5 M6 W11 S57 W58 G63R5-H61 VanDerWaalsContact CD-O 3.29Å; R5-H61 WeakPolarHBondContact CD-O 3.48Å; R5-H61 PolarHBondContact NE-O 3.31Å; R5-H61 PolarHBondContact NH2-O 2.94Å; R5-H61 VanDerWaalsContact NH2-O 3.13Å; M6-H61 PolarHBondContact O-CE1 2.82Å; W11-H61 AromaticContact CD1-CD2 3.4Å; W11-H61 VanDerWaalsContact CD1-CD2 3.4Å; W11-H61 AromaticContact CD1-CE1 3.41Å; W11-H61 VanDerWaalsContact CD1-CE1 3.41Å; W11-H61 AromaticContact CD1-CG 3.42Å; W11-H61 VanDerWaalsContact CD1-CG 3.42Å; W11-H61 AromaticContact CD1-ND1 3.45Å; W11-H61 AromaticContact CD1-NE2 3.41Å; W11-H61 AromaticContact CG-CE1 3.77Å; W11-H61 AromaticContact CG-ND1 3.82Å; W11-H61 HydrophobicContact CZ2-CB 4.41Å; W11-H61 AromaticContact NE1-CD2 3.6Å; W11-H61 AromaticContact NE1-CG 3.33Å; W11-H61 VanDerWaalsContact NE1-CG 3.33Å; W11-H61 AromaticContact NE1-ND1 3.72Å; S57-H61 VanDerWaalsContact O-CB 3.23Å; S57-H61 WeakPolarHBondContact O-CB 3.37Å; S57-H61 PolarHBondContact O-N 3.31Å; W58-H61 HydrophobicContact CE3-CB 4.47Å; W58-H61 AromaticContact CE3-ND1 3.66Å; W58-H61 AromaticContact CZ3-CE1 3.86Å; W58-H61 AromaticContact CZ3-ND1 3.28Å; W58-H61 VanDerWaalsContact CZ3-ND1 3.28Å; W58-H61 WeakPolarHBondContact CZ3-ND1 3.49Å; W58-H61 PolarHBondContact O-N 3.44Å; H61-G63 PolarHBondContact O-N 3.26Å
62T93.5Very high93.3Very high23 Ų2364.9 Ų64.914%0.14135%0.348CS..THydrogen-bonded Turntrans-770.6174.859.30000114.5R5 W58 A59 I60 R64R5-T62 PolarHBondContact NH1-O 2.99Å; R5-T62 PolarHBondContact NH2-O 3.35Å; W58-T62 HydrophobicContact CD2-CG2 3.81Å; W58-T62 VanDerWaalsContact CE2-CG2 3.44Å; W58-T62 HydrophobicContact CE3-CG2 4.13Å; W58-T62 HydrophobicContact CG-CG2 4.47Å; W58-T62 HydrophobicContact CH2-CG2 3.79Å; W58-T62 HydrophobicContact CZ2-CG2 3.44Å; W58-T62 VanDerWaalsContact CZ2-CG2 3.44Å; W58-T62 HydrophobicContact CZ3-CG2 4.14Å; W58-T62 WeakPolarHBondContact O-CB 3.49Å; W58-T62 WeakPolarHBondContact O-CG2 3.45Å; W58-T62 PolarHBondContact O-N 2.81Å; W58-T62 PolarHBondContact O-OG1 2.96Å; A59-T62 WeakPolarHBondContact CA-OG1 3.17Å; A59-T62 CarbonylContact O-C 3.55Å; A59-T62 PolarHBondContact O-OG1 3.12Å; I60-T62 VanDerWaalsContact C-N 3.27Å; I60-T62 PolarHBondContact O-N 3.38Å; T62-R64 PolarHBondContact O-N 3.4Å; T62-R64 WeakPolarHBondContact OG1-CG 3.34Å
63G92.5Very high93.3Very high37 Ų3767.8 Ų67.838%0.38136%0.364SS..THydrogen-bonded Turntrans59.515.7178.800000113.5A59 I60 H61 Y65A59-G63 PolarHBondContact O-N 3.19Å; I60-G63 WeakPolarHBondContact O-CA 3.35Å; I60-G63 PolarHBondContact O-N 3.41Å; H61-G63 PolarHBondContact O-N 3.26Å; G63-Y65 VanDerWaalsContact C-N 3.26Å
64R91.9Very high93.2Very high188 Ų18867.1 Ų67.171%0.70936%0.359SS*.SBendtrans-77.6-19.9174.6-65.5-61.8-169.2-175.31.8111.4A59 T62A59-R64 PolarHBondContact O-N 2.98Å; T62-R64 PolarHBondContact O-N 3.4Å; T62-R64 WeakPolarHBondContact OG1-CG 3.34Å
65Y94.3Very high93.2Very high16 Ų1675.1 Ų75.16%0.06339%0.394CS..  trans-130.9136.9173.9175.9-114.3000109.3R56 A59 I60 G63 A67 K70 W77R56-Y65 HydrophobicContact CG-CD1 4.37Å; R56-Y65 HydrophobicContact CG-CE1 4.22Å; A59-Y65 PolarHBondContact O-N 2.93Å; A59-Y65 VanDerWaalsContact O-N 3.15Å; I60-Y65 WeakPolarHBondContact CA-O 2.98Å; I60-Y65 HydrophobicContact CD1-CD1 4.31Å; I60-Y65 HydrophobicContact CD1-CE1 4.49Å; I60-Y65 HydrophobicContact CG1-CD1 3.69Å; I60-Y65 HydrophobicContact CG1-CE1 4.33Å; G63-Y65 VanDerWaalsContact C-N 3.26Å; Y65-A67 HydrophobicContact CE1-CB 4.33Å; Y65-K70 HydrophobicContact CD2-CB 4.29Å; Y65-K70 HydrophobicContact CE2-CB 4.48Å; Y65-K70 VanDerWaalsContact CE2-O 3.22Å; Y65-K70 WeakPolarHBondContact CE2-O 3.45Å; Y65-W77 HydrophobicContact CD1-CH2 4.2Å; Y65-W77 AromaticContact CD1-CZ2 3.59Å; Y65-W77 HydrophobicContact CD1-CZ2 3.59Å; Y65-W77 AromaticContact CD2-CZ2 3.53Å; Y65-W77 HydrophobicContact CD2-CZ2 3.53Å; Y65-W77 AromaticContact CE1-CH2 3.9Å; Y65-W77 HydrophobicContact CE1-CH2 3.9Å; Y65-W77 AromaticContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE2-CH2 4.29Å; Y65-W77 AromaticContact CE2-CZ2 3.56Å; Y65-W77 HydrophobicContact CE2-CZ2 3.56Å; Y65-W77 AromaticContact CG-CE2 3.87Å; Y65-W77 AromaticContact CG-CZ2 3.53Å; Y65-W77 HydrophobicContact CG-CZ2 3.53Å; Y65-W77 AromaticContact CG-NE1 3.83Å; Y65-W77 AromaticContact CZ-CH2 3.94Å; Y65-W77 AromaticContact CZ-CZ2 3.63Å
66K90.9Very high93.1Very high117 Ų11777.5 Ų77.551%0.50941%0.408SS..  trans-127.9124.2170.8-67.2172178.7179.90106.8G68 E69 K70K66-G68 PolarHBondContact O-N 2.93Å; K66-E69 HydrophobicContact CB-CB 4.17Å; K66-E69 WeakPolarHBondContact CD-OE2 3.36Å; K66-E69 IonicContact NZ-OE1 3.01Å; K66-E69 IonicContact NZ-OE2 3.74Å; K66-E69 PolarHBondContact NZ-OE2 3.36Å; K66-E69 PolarHBondContact O-N 3.5Å; K66-K70 PolarHBondContact O-N 3.37Å
67A89.2Confident93.2Very high64 Ų6474 Ų7453%0.52940%0.395SS..THydrogen-bonded Turntrans-62.3134.2177.500000109.6Y65 E69Y65-A67 HydrophobicContact CE1-CB 4.33Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3Å
68G87.7Confident93.2Very high86 Ų8674.3 Ų74.389%0.88739%0.392SS*.THydrogen-bonded Turntrans87.6-25.6179.600000115.5K66K66-G68 PolarHBondContact O-N 2.93Å
69E89.9Confident93.2Very high146 Ų14675.1 Ų75.168%0.68240%0.404SS*.THydrogen-bonded Turntrans-92.3-38.4176.9-170.8-178.3155.700112K66 A67K66-E69 HydrophobicContact CB-CB 4.17Å; K66-E69 WeakPolarHBondContact CD-OE2 3.36Å; K66-E69 IonicContact NZ-OE1 3.01Å; K66-E69 IonicContact NZ-OE2 3.74Å; K66-E69 PolarHBondContact NZ-OE2 3.36Å; K66-E69 PolarHBondContact O-N 3.5Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3Å
70K89.1Confident93.2Very high123 Ų12378.4 Ų78.454%0.53542%0.421SS..SBendtrans-121.3146.3-178.5-172.1172.4178.2173.10110.3Y65 K66Y65-K70 HydrophobicContact CD2-CB 4.29Å; Y65-K70 HydrophobicContact CE2-CB 4.48Å; Y65-K70 VanDerWaalsContact CE2-O 3.22Å; Y65-K70 WeakPolarHBondContact CE2-O 3.45Å; K66-K70 PolarHBondContact O-N 3.37Å
71E91.2Very high93.4Very high166 Ų16674.6 Ų74.678%0.77640%0.401SS*.  trans-64.8144.8172-67.4-172.3167.300111.9D73E71-D73 PolarHBondContact O-N 3.31Å
72P93.7Very high93.5Very high71 Ų7177.6 Ų77.646%0.46141%0.411SS..  trans-69.6123.417928.5-33.9000111.3I48 P74 W77I48-P72 HydrophobicContact CD1-CB 3.96Å; I48-P72 HydrophobicContact CD1-CG 4.42Å; P72-P74 WeakPolarHBondContact O-CD 3.35Å; P72-W77 HydrophobicContact CB-CH2 3.46Å; P72-W77 VanDerWaalsContact CB-CH2 3.46Å; P72-W77 HydrophobicContact CB-CZ2 3.92Å; P72-W77 HydrophobicContact CB-CZ3 4.41Å
73D94.3Very high93.7Very high61 Ų6179.6 Ų79.633%0.32643%0.425SS..  trans-123.486.8175.6-177.5-6.5000111E71 K75 T76 W77E71-D73 PolarHBondContact O-N 3.31Å; D73-K75 PolarHBondContact O-N 3.15Å; D73-K75 WeakPolarHBondContact OD1-CB 3.27Å; D73-K75 PolarHBondContact OD1-N 2.82Å; D73-K75 VanDerWaalsContact OD1-N 3.13Å; D73-T76 VanDerWaalsContact CG-CB 3.5Å; D73-T76 VanDerWaalsContact CG-OG1 3.29Å; D73-T76 PolarHBondContact O-N 3.4Å; D73-T76 PolarHBondContact OD1-N 2.96Å; D73-T76 WeakPolarHBondContact OD2-CB 3.44Å; D73-T76 PolarHBondContact OD2-OG1 3.02Å; D73-W77 VanDerWaalsContact O-CD1 3.28Å; D73-W77 VanDerWaalsContact O-CD2 3.31Å; D73-W77 PolarHBondContact O-N 3.32Å; D73-W77 VanDerWaalsContact O-N 3.07Å; D73-W77 PolarHBondContact O-NE1 3.47Å
74P94.4Very high93.9Very high23 Ų2378.8 Ų78.815%0.14942%0.415CS..Hα-helixtrans-60.7-30-179.7-26.637.7000113.8W46 I48 A52 P72 W77 K78W46-P74 HydrophobicContact CH2-CB 3.68Å; W46-P74 HydrophobicContact CH2-CG 3.92Å; W46-P74 HydrophobicContact CZ2-CB 4.06Å; I48-P74 HydrophobicContact CB-CG 4.46Å; I48-P74 HydrophobicContact CD1-CG 3.33Å; I48-P74 HydrophobicContact CG1-CG 3.56Å; A52-P74 HydrophobicContact CB-CB 3.97Å; A52-P74 HydrophobicContact CB-CG 4.49Å; P72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-W77 HydrophobicContact CB-CE3 4.36Å; P74-W77 HydrophobicContact CG-CE3 4.39Å; P74-W77 HydrophobicContact CG-CZ3 4.21Å; P74-K78 WeakPolarHBondContact O-CB 3.32Å; P74-K78 PolarHBondContact O-N 3.02Å
75K94.7Very high94.1Very high176 Ų17670 Ų7077%0.76538%0.382SS*.Hα-helixtrans-66.9-48.2179.8-177.5-178.1178.5-176.90109.7D73 K78 A79D73-K75 PolarHBondContact O-N 3.15Å; D73-K75 WeakPolarHBondContact OD1-CB 3.27Å; D73-K75 PolarHBondContact OD1-N 2.82Å; D73-K75 VanDerWaalsContact OD1-N 3.13Å; K75-K78 PolarHBondContact O-N 2.86Å; K75-A79 WeakPolarHBondContact O-CB 3.32Å; K75-A79 PolarHBondContact O-N 3.48Å
76T95.9Very high94.1Very high56 Ų5673.8 Ų73.834%0.34440%0.403SS..Hα-helixtrans-64.2-42.1176.5-69.80000111.8D73 K78 A79 N80D73-T76 VanDerWaalsContact CG-CB 3.5Å; D73-T76 VanDerWaalsContact CG-OG1 3.29Å; D73-T76 PolarHBondContact O-N 3.4Å; D73-T76 PolarHBondContact OD1-N 2.96Å; D73-T76 WeakPolarHBondContact OD2-CB 3.44Å; D73-T76 PolarHBondContact OD2-OG1 3.02Å; T76-K78 PolarHBondContact O-N 3.18Å; T76-A79 PolarHBondContact O-N 3.34Å; T76-N80 WeakPolarHBondContact CG2-ND2 3.22Å; T76-N80 WeakPolarHBondContact O-CB 3.46Å; T76-N80 VanDerWaalsContact O-CG 3.29Å; T76-N80 PolarHBondContact O-N 3.4Å; T76-N80 PolarHBondContact O-ND2 3.33Å
77W96.5Very high94.3Very high11 Ų1172.4 Ų72.44%0.04241%0.408CS..Hα-helixtrans-60.8-46.6177.6-56.1-20.5000112.2I48 F55 R56 A59 Y65 P72 D73 P74 A79 N80 F81I48-W77 HydrophobicContact CD1-CZ3 4.43Å; F55-W77 HydrophobicContact CB-CB 3.76Å; R56-W77 HydrophobicContact CB-CE3 3.71Å; R56-W77 HydrophobicContact CB-CH2 4.27Å; R56-W77 HydrophobicContact CB-CZ3 3.58Å; R56-W77 HydrophobicContact CG-CE3 4.25Å; R56-W77 HydrophobicContact CG-CH2 3.92Å; R56-W77 HydrophobicContact CG-CZ3 3.74Å; A59-W77 HydrophobicContact CB-CB 4.32Å; A59-W77 VanDerWaalsContact CB-CD1 3.42Å; A59-W77 HydrophobicContact CB-CD2 4.26Å; A59-W77 HydrophobicContact CB-CG 3.75Å; Y65-W77 HydrophobicContact CD1-CH2 4.2Å; Y65-W77 AromaticContact CD1-CZ2 3.59Å; Y65-W77 HydrophobicContact CD1-CZ2 3.59Å; Y65-W77 AromaticContact CD2-CZ2 3.53Å; Y65-W77 HydrophobicContact CD2-CZ2 3.53Å; Y65-W77 AromaticContact CE1-CH2 3.9Å; Y65-W77 HydrophobicContact CE1-CH2 3.9Å; Y65-W77 AromaticContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE2-CH2 4.29Å; Y65-W77 AromaticContact CE2-CZ2 3.56Å; Y65-W77 HydrophobicContact CE2-CZ2 3.56Å; Y65-W77 AromaticContact CG-CE2 3.87Å; Y65-W77 AromaticContact CG-CZ2 3.53Å; Y65-W77 HydrophobicContact CG-CZ2 3.53Å; Y65-W77 AromaticContact CG-NE1 3.83Å; Y65-W77 AromaticContact CZ-CH2 3.94Å; Y65-W77 AromaticContact CZ-CZ2 3.63Å; P72-W77 HydrophobicContact CB-CH2 3.46Å; P72-W77 VanDerWaalsContact CB-CH2 3.46Å; P72-W77 HydrophobicContact CB-CZ2 3.92Å; P72-W77 HydrophobicContact CB-CZ3 4.41Å; D73-W77 VanDerWaalsContact O-CD1 3.28Å; D73-W77 VanDerWaalsContact O-CD2 3.31Å; D73-W77 PolarHBondContact O-N 3.32Å; D73-W77 VanDerWaalsContact O-N 3.07Å; D73-W77 PolarHBondContact O-NE1 3.47Å; P74-W77 HydrophobicContact CB-CE3 4.36Å; P74-W77 HydrophobicContact CG-CE3 4.39Å; P74-W77 HydrophobicContact CG-CZ3 4.21Å; W77-A79 PolarHBondContact O-N 3.46Å; W77-N80 PolarHBondContact O-N 3.36Å; W77-F81 WeakPolarHBondContact O-CB 3.43Å; W77-F81 PolarHBondContact O-N 2.9Å
78K96.2Very high94.5Very high43 Ų4371 Ų7119%0.18739%0.391CS..Hα-helixtrans-63.5-41.5178.5-172.3172.8-173.8176.50111.9W38 K39 F55 P74 K75 T76 R82W38-K78 HydrophobicContact CZ2-CG 4.49Å; W38-K78 PolarHBondContact O-NZ 2.81Å; K39-K78 PolarHBondContact O-NZ 2.72Å; F55-K78 HydrophobicContact CD2-CB 3.95Å; F55-K78 HydrophobicContact CD2-CD 4.41Å; F55-K78 HydrophobicContact CD2-CG 4.08Å; F55-K78 HydrophobicContact CE1-CG 4.3Å; F55-K78 HydrophobicContact CE2-CB 4.25Å; F55-K78 HydrophobicContact CE2-CD 3.93Å; F55-K78 HydrophobicContact CE2-CG 3.85Å; F55-K78 HydrophobicContact CG-CB 4.14Å; F55-K78 HydrophobicContact CG-CG 4.44Å; F55-K78 HydrophobicContact CZ-CD 4.3Å; F55-K78 HydrophobicContact CZ-CG 3.97Å; P74-K78 WeakPolarHBondContact O-CB 3.32Å; P74-K78 PolarHBondContact O-N 3.02Å; K75-K78 PolarHBondContact O-N 2.86Å; T76-K78 PolarHBondContact O-N 3.18Å; K78-R82 WeakPolarHBondContact O-CB 3.44Å; K78-R82 PolarHBondContact O-N 3.31Å
79A96.5Very high94.7Very high41 Ų4171.2 Ų71.234%0.33938%0.377SS..Hα-helixtrans-62.8-47.7176.900000111.9K75 T76 W77 F81 R82 C83K75-A79 WeakPolarHBondContact O-CB 3.32Å; K75-A79 PolarHBondContact O-N 3.48Å; T76-A79 PolarHBondContact O-N 3.34Å; W77-A79 PolarHBondContact O-N 3.46Å; A79-F81 PolarHBondContact O-N 3.15Å; A79-R82 PolarHBondContact O-N 2.88Å; A79-C83 PolarHBondContact O-N 3.49Å; A79-C83 PolarHBondContact O-SG 3.19Å; A79-C83 VanDerWaalsContact O-SG 3.34Å
80N97.2Very high94.8Very high73 Ų7365.9 Ų65.939%0.3935%0.354SS..Hα-helixtrans-63.3-42.3178.5-73.8-21.9000112.3T76 W77 C83 A84T76-N80 WeakPolarHBondContact CG2-ND2 3.22Å; T76-N80 WeakPolarHBondContact O-CB 3.46Å; T76-N80 VanDerWaalsContact O-CG 3.29Å; T76-N80 PolarHBondContact O-N 3.4Å; T76-N80 PolarHBondContact O-ND2 3.33Å; W77-N80 PolarHBondContact O-N 3.36Å; N80-C83 PolarHBondContact O-N 3.43Å; N80-A84 WeakPolarHBondContact O-CB 3.2Å; N80-A84 PolarHBondContact O-N 2.92Å
81F97.6Very high95.1Very high0 Ų060.7 Ų60.70%033%0.332CS..Hα-helixtrans-60-47.5175.7-178.8-88.8000111.4M8 W11 L12 I36 W38 L54 F55 W58 W77 A79 C83 A84 M85M8-F81 HydrophobicContact CE-CD2 3.59Å; M8-F81 HydrophobicContact CE-CE1 4.4Å; M8-F81 HydrophobicContact CE-CE2 3.46Å; M8-F81 VanDerWaalsContact CE-CE2 3.46Å; M8-F81 HydrophobicContact CE-CG 4.13Å; M8-F81 HydrophobicContact CE-CZ 3.9Å; W11-F81 HydrophobicContact CZ3-CE2 4.12Å; L12-F81 HydrophobicContact CD1-CE2 4.39Å; L12-F81 HydrophobicContact CD1-CZ 4.17Å; I36-F81 HydrophobicContact CD1-CE1 3.83Å; I36-F81 HydrophobicContact CD1-CZ 3.86Å; W38-F81 AromaticContact CH2-CD1 3.9Å; W38-F81 HydrophobicContact CH2-CD1 3.9Å; W38-F81 HydrophobicContact CH2-CE1 4.13Å; W38-F81 HydrophobicContact CZ3-CD1 4.19Å; W38-F81 HydrophobicContact CZ3-CE1 4.03Å; L54-F81 HydrophobicContact CD1-CE2 4.46Å; L54-F81 HydrophobicContact CD2-CE1 4.44Å; L54-F81 HydrophobicContact CD2-CE2 4.26Å; L54-F81 HydrophobicContact CD2-CZ 3.9Å; L54-F81 HydrophobicContact CG-CE2 4.18Å; L54-F81 HydrophobicContact CG-CZ 4.34Å; F55-F81 HydrophobicContact CD1-CB 3.71Å; F55-F81 AromaticContact CD1-CD1 3.75Å; F55-F81 HydrophobicContact CD1-CD1 3.75Å; F55-F81 HydrophobicContact CD1-CD2 4.19Å; F55-F81 HydrophobicContact CD1-CE1 4.45Å; F55-F81 AromaticContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CE1-CB 4.31Å; F55-F81 AromaticContact CE1-CD1 3.56Å; F55-F81 HydrophobicContact CE1-CD1 3.56Å; F55-F81 HydrophobicContact CE1-CE1 4.03Å; F55-F81 AromaticContact CE1-CG 3.94Å; F55-F81 HydrophobicContact CE1-CG 3.94Å; W58-F81 HydrophobicContact CB-CD2 3.92Å; W58-F81 AromaticContact CD1-CD2 3.83Å; W58-F81 AromaticContact CG-CD2 3.84Å; W58-F81 HydrophobicContact CG-CD2 3.84Å; W77-F81 WeakPolarHBondContact O-CB 3.43Å; W77-F81 PolarHBondContact O-N 2.9Å; A79-F81 PolarHBondContact O-N 3.15Å; F81-C83 VanDerWaalsContact C-N 3.35Å; F81-C83 PolarHBondContact O-N 2.93Å; F81-A84 PolarHBondContact O-N 3.37Å; F81-M85 HydrophobicContact CD1-CG 4Å; F81-M85 HydrophobicContact CE1-CG 3.5Å; F81-M85 VanDerWaalsContact CE1-CG 3.5Å; F81-M85 HydrophobicContact CE1-SD 4.25Å; F81-M85 HydrophobicContact CZ-CG 3.85Å; F81-M85 HydrophobicContact CZ-SD 4.04Å; F81-M85 PolarHBondContact O-N 3.06Å
82R96.8Very high95.3Very high108 Ų10856.2 Ų56.241%0.40831%0.311SS..Hα-helixtrans-57.8-45.7176.7-177.4-173.865.797.90.9112W38 K78 A79 A84 M85 N86W38-R82 HydrophobicContact CH2-CB 4.45Å; W38-R82 HydrophobicContact CZ2-CB 4.22Å; W38-R82 HydrophobicContact CZ2-CG 4.4Å; K78-R82 WeakPolarHBondContact O-CB 3.44Å; K78-R82 PolarHBondContact O-N 3.31Å; A79-R82 PolarHBondContact O-N 2.88Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 3.42Å; R82-M85 PolarHBondContact O-N 2.99Å; R82-N86 WeakPolarHBondContact O-CB 3.43Å; R82-N86 VanDerWaalsContact O-CG 3.23Å; R82-N86 PolarHBondContact O-N 3.39Å; R82-N86 PolarHBondContact O-OD1 2.72Å
83C97Very high95.4Very high66 Ų6655.4 Ų55.445%0.44630%0.3SS..Hα-helixtrans-61.2-42.5177.9-69.70000111.8A79 N80 F81 N86 S87A79-C83 PolarHBondContact O-N 3.49Å; A79-C83 PolarHBondContact O-SG 3.19Å; A79-C83 VanDerWaalsContact O-SG 3.34Å; N80-C83 PolarHBondContact O-N 3.43Å; F81-C83 VanDerWaalsContact C-N 3.35Å; F81-C83 PolarHBondContact O-N 2.93Å; C83-N86 PolarHBondContact O-N 2.93Å; C83-S87 WeakPolarHBondContact O-CB 3.49Å; C83-S87 PolarHBondContact O-N 3.3Å; C83-S87 VanDerWaalsContact O-N 3.15Å
84A96Very high95.5Very high20 Ų2053.9 Ų53.917%0.16529%0.293CS..Hα-helixtrans-64.8-44.6178.600000111.1M8 W58 N80 F81 R82 N86 S87 L88M8-A84 HydrophobicContact CE-CB 3.73Å; M8-A84 HydrophobicContact SD-CB 3.21Å; M8-A84 WeakPolarHBondContact SD-CB 3.39Å; W58-A84 HydrophobicContact CZ2-CB 4.27Å; N80-A84 WeakPolarHBondContact O-CB 3.2Å; N80-A84 PolarHBondContact O-N 2.92Å; F81-A84 PolarHBondContact O-N 3.37Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 3.42Å; A84-N86 PolarHBondContact O-N 3.14Å; A84-S87 PolarHBondContact O-N 3.28Å; A84-S87 PolarHBondContact O-OG 3.49Å; A84-L88 WeakPolarHBondContact O-CG 3.4Å
85M96.1Very high95.5Very high4 Ų459.9 Ų59.92%0.0232%0.317CS..Hα-helixtrans-57.7-49174.3-74.5-62.4-73.400112.3M8 L12 F34 I36 F81 R82 S87 L88 I91 Y109M8-M85 HydrophobicContact CE-CB 4.4Å; M8-M85 HydrophobicContact CE-CG 3.51Å; M8-M85 HydrophobicContact CE-SD 3.57Å; M8-M85 VanDerWaalsContact CE-SD 3.57Å; M8-M85 HydrophobicContact SD-CG 4.36Å; M8-M85 PolarHBondContact SD-N 2.82Å; M8-M85 VanDerWaalsContact SD-N 3.44Å; M8-M85 HydrophobicContact SD-SD 4.14Å; L12-M85 HydrophobicContact CD2-CE 3.91Å; L12-M85 HydrophobicContact CD2-SD 3.57Å; L12-M85 VanDerWaalsContact CD2-SD 3.57Å; F34-M85 HydrophobicContact CZ-CE 4.16Å; I36-M85 HydrophobicContact CD1-CE 4.46Å; F81-M85 HydrophobicContact CD1-CG 4Å; F81-M85 HydrophobicContact CE1-CG 3.5Å; F81-M85 VanDerWaalsContact CE1-CG 3.5Å; F81-M85 HydrophobicContact CE1-SD 4.25Å; F81-M85 HydrophobicContact CZ-CG 3.85Å; F81-M85 HydrophobicContact CZ-SD 4.04Å; F81-M85 PolarHBondContact O-N 3.06Å; R82-M85 PolarHBondContact O-N 2.99Å; M85-S87 PolarHBondContact O-N 3.03Å; M85-L88 WeakPolarHBondContact O-CB 3.4Å; M85-L88 PolarHBondContact O-N 3.33Å; M85-L88 VanDerWaalsContact O-N 3.14Å; M85-I91 HydrophobicContact CE-CD1 4.32Å; M85-I91 HydrophobicContact CE-CG2 3.64Å; M85-I91 HydrophobicContact SD-CD1 4.38Å; M85-Y109 HydrophobicContact CE-CD1 3.68Å; M85-Y109 HydrophobicContact CE-CD2 4.08Å; M85-Y109 HydrophobicContact CE-CE1 3.97Å; M85-Y109 HydrophobicContact CE-CE2 4.31Å; M85-Y109 HydrophobicContact CE-CG 3.77Å
86N95.4Very high95.5Very high95 Ų9559.1 Ų59.151%0.50832%0.322SS..Hα-helixtrans-66.3-18.7-177.8-70.2-3.5000113.4R82 C83 A84R82-N86 WeakPolarHBondContact O-CB 3.43Å; R82-N86 VanDerWaalsContact O-CG 3.23Å; R82-N86 PolarHBondContact O-N 3.39Å; R82-N86 PolarHBondContact O-OD1 2.72Å; C83-N86 PolarHBondContact O-N 2.93Å; A84-N86 PolarHBondContact O-N 3.14Å
87S94.3Very high95.4Very high87 Ų8761.5 Ų61.561%0.60833%0.329SS*.THydrogen-bonded Turntrans-84.8-12.4178.274.50000113.7C83 A84 M85 P89C83-S87 WeakPolarHBondContact O-CB 3.49Å; C83-S87 PolarHBondContact O-N 3.3Å; C83-S87 VanDerWaalsContact O-N 3.15Å; A84-S87 PolarHBondContact O-N 3.28Å; A84-S87 PolarHBondContact O-OG 3.49Å; M85-S87 PolarHBondContact O-N 3.03Å; S87-P89 WeakPolarHBondContact O-CD 3.4Å
88L93.1Very high95.3Very high35 Ų3561.9 Ų61.918%0.18333%0.333CS..  trans-81.7119-177.6-67.2175000110M8 A84 M85 D90 I91M8-L88 HydrophobicContact CB-CD1 4.1Å; M8-L88 HydrophobicContact CG-CD1 4.04Å; M8-L88 HydrophobicContact SD-CD1 3.83Å; A84-L88 WeakPolarHBondContact O-CG 3.4Å; M85-L88 WeakPolarHBondContact O-CB 3.4Å; M85-L88 PolarHBondContact O-N 3.33Å; M85-L88 VanDerWaalsContact O-N 3.14Å; L88-D90 WeakPolarHBondContact CB-OD1 3.38Å; L88-D90 PolarHBondContact O-N 2.84Å; L88-I91 HydrophobicContact CB-CB 4.19Å; L88-I91 HydrophobicContact CB-CG1 4.25Å; L88-I91 HydrophobicContact CD1-CB 4.49Å; L88-I91 HydrophobicContact CD1-CD1 3.5Å; L88-I91 VanDerWaalsContact CD1-CD1 3.5Å; L88-I91 HydrophobicContact CD1-CG1 4Å
89P92.6Very high95.2Very high91 Ų9165.9 Ų65.959%0.59135%0.347SS*.THydrogen-bonded Turntrans-75.8-7.3178.733-36.8000113.2S87S87-P89 WeakPolarHBondContact O-CD 3.4Å
90D92.9Very high94.9Very high34 Ų3469.2 Ų69.218%0.18236%0.359CS..THydrogen-bonded Turntrans-11710.3-172.466.3-30.3000112.5R9 L88 L112R9-D90 WeakPolarHBondContact CD-OD2 3.45Å; R9-D90 IonicContact CZ-OD2 2.84Å; R9-D90 IonicContact NE-OD2 3.63Å; R9-D90 VanDerWaalsContact NH1-CB 3.31Å; R9-D90 VanDerWaalsContact NH1-CG 3.34Å; R9-D90 IonicContact NH1-OD2 3.83Å; R9-D90 PolarHBondContact NH1-OD2 3.11Å; L88-D90 WeakPolarHBondContact CB-OD1 3.38Å; L88-D90 PolarHBondContact O-N 2.84Å; D90-L112 PolarHBondContact O-N 3.39Å
91I95.3Very high94.6Very high14 Ų1474.4 Ų74.47%0.07238%0.378CS..EExtended strand (participates in β ladder)trans-130.5134.5165.9-55.6-171.2000107.9R9 L12 F34 M85 L88 Y109 R110 M111R9-I91 HydrophobicContact CB-CD1 4.27Å; R9-I91 HydrophobicContact CG-CD1 4.32Å; L12-I91 HydrophobicContact CD2-CD1 4.38Å; F34-I91 HydrophobicContact CZ-CG2 4.41Å; M85-I91 HydrophobicContact CE-CD1 4.32Å; M85-I91 HydrophobicContact CE-CG2 3.64Å; M85-I91 HydrophobicContact SD-CD1 4.38Å; L88-I91 HydrophobicContact CB-CB 4.19Å; L88-I91 HydrophobicContact CB-CG1 4.25Å; L88-I91 HydrophobicContact CD1-CB 4.49Å; L88-I91 HydrophobicContact CD1-CD1 3.5Å; L88-I91 VanDerWaalsContact CD1-CD1 3.5Å; L88-I91 HydrophobicContact CD1-CG1 4Å; I91-Y109 HydrophobicContact CG2-CD1 4.1Å; I91-Y109 HydrophobicContact CG2-CG 4.46Å; I91-R110 WeakPolarHBondContact CA-O 3.3Å; I91-M111 HydrophobicContact CD1-CG 4.41Å; I91-M111 HydrophobicContact CG1-CG 4.35Å
92E94.8Very high94.2Very high72 Ų7276.2 Ų76.234%0.33640%0.397SS..EExtended strand (participates in β ladder)trans-129.1151.8176.864-179.9-17100111.6Y109 R110 L112E92-Y109 CarbonylContact O-C 3.58Å; E92-Y109 VanDerWaalsContact O-CA 3.25Å; E92-Y109 WeakPolarHBondContact O-CA 3.5Å; E92-R110 HydrophobicContact CG-CB 4.12Å; E92-R110 PolarHBondContact N-O 2.55Å; E92-R110 PolarHBondContact O-N 3.48Å; E92-R110 IonicContact OE1-CZ 2.77Å; E92-R110 IonicContact OE1-NE 3.69Å; E92-R110 PolarHBondContact OE1-NE 3.38Å; E92-R110 IonicContact OE1-NH2 2.72Å; E92-R110 PolarHBondContact OE1-NH2 2.99Å; E92-L112 HydrophobicContact CG-CD2 4.31Å; E92-L112 HydrophobicContact CG-CG 4.44Å
93E96.2Very high93.8Very high53 Ų5375.1 Ų75.125%0.24841%0.406CS..EExtended strand (participates in β ladder)trans-88.5120.6177-167.2171.6137.700109.8K95 R107 Y109E93-K95 HydrophobicContact CG-CG 4.32Å; E93-K95 PolarHBondContact O-N 3.45Å; E93-R107 IonicContact OE2-NH1 2.6Å; E93-Y109 HydrophobicContact CB-CD1 3.86Å; E93-Y109 HydrophobicContact CB-CE1 3.53Å; E93-Y109 HydrophobicContact CG-CD1 4.18Å; E93-Y109 HydrophobicContact CG-CE1 3.69Å; E93-Y109 PolarHBondContact OE2-OH 2.84Å
94V96.3Very high93.4Very high29 Ų2974.8 Ų74.818%0.17641%0.405CS..  trans-8686.8174-172.80000107.7D96 Q97 S98 V108 R110V94-D96 PolarHBondContact O-N 3.5Å; V94-Q97 HydrophobicContact CG1-CB 4.13Å; V94-Q97 HydrophobicContact CG1-CG 3.92Å; V94-Q97 PolarHBondContact O-N 3.07Å; V94-S98 PolarHBondContact O-N 3.29Å; V94-S98 PolarHBondContact O-OG 2.81Å; V94-V108 HydrophobicContact CB-CB 4.41Å; V94-V108 HydrophobicContact CB-CG1 4.14Å; V94-V108 PolarHBondContact N-O 2.83Å; V94-R110 HydrophobicContact CG2-CB 3.83Å
95K94.6Very high93.4Very high149 Ų14974.2 Ų74.265%0.64840%0.4SS*.G310 helixtrans-62.8-32.6-174.9-67.6-177.3-178.4176.40112.8E93 Q97 S98E93-K95 HydrophobicContact CG-CG 4.32Å; E93-K95 PolarHBondContact O-N 3.45Å; K95-Q97 PolarHBondContact O-N 3.37Å; K95-S98 WeakPolarHBondContact O-CB 3.28Å; K95-S98 PolarHBondContact O-N 3.03Å
96D94.9Very high93.4Very high161 Ų16174.9 Ų74.986%0.86140%0.404SS*.G310 helixtrans-65.3-27.8-177.2-55.1-32.6000112.6V94V94-D96 PolarHBondContact O-N 3.5Å
97Q92.6Very high93.5Very high105 Ų10572.8 Ų72.849%0.49139%0.389SS..G310 helixtrans-97.2-4.4176.6-63.3-176.9-8.300112.8V94 K95 V108V94-Q97 HydrophobicContact CG1-CB 4.13Å; V94-Q97 HydrophobicContact CG1-CG 3.92Å; V94-Q97 PolarHBondContact O-N 3.07Å; K95-Q97 PolarHBondContact O-N 3.37Å; Q97-V108 HydrophobicContact CB-CB 4.01Å; Q97-V108 HydrophobicContact CB-CG1 4.11Å; Q97-V108 HydrophobicContact CB-CG2 3.91Å; Q97-V108 WeakPolarHBondContact O-CG2 3.47Å
98S94.4Very high93.6Very high20 Ų2068.8 Ų68.814%0.1436%0.361CS..  trans-85.5136.7-175-65.10000111.9V94 K95 V108V94-S98 PolarHBondContact O-N 3.29Å; V94-S98 PolarHBondContact O-OG 2.81Å; K95-S98 WeakPolarHBondContact O-CB 3.28Å; K95-S98 PolarHBondContact O-N 3.03Å; S98-V108 PolarHBondContact OG-N 2.93Å
99R94.6Very high93.8Very high126 Ų12667.3 Ų67.348%0.47535%0.353SS..BIsolated β-bridgetrans-107106.9174.8-179.3172.460-156.9-10.3110.2S104 A105 V106R99-S104 PolarHBondContact NE-O 3.06Å; R99-S104 PolarHBondContact NE-OG 2.99Å; R99-S104 PolarHBondContact NH2-O 2.84Å; R99-S104 PolarHBondContact NH2-OG 2.85Å; R99-S104 VanDerWaalsContact NH2-OG 3.15Å; R99-A105 CarbonylContact O-C 3.42Å; R99-A105 WeakPolarHBondContact O-CA 3.46Å; R99-A105 WeakPolarHBondContact O-CB 3.34Å; R99-V106 CarbonylContact C-O 3.54Å; R99-V106 HydrophobicContact CB-CG2 3.89Å; R99-V106 PolarHBondContact N-O 2.76Å; R99-V106 PolarHBondContact O-N 3.01Å
100N91.3Very high94Very high112 Ų11267.5 Ų67.560%0.59934%0.342SS*.  trans-91.4-4.1-172-64.2-15.3000114.9
101K89.9Confident94.1Very high181 Ų18166 Ų6679%0.78733%0.334SS*.SBendtrans-122152.7-171.3-62.5175.4-179.8179.40111.2
102G89.9Confident94Very high39 Ų3967.2 Ų67.240%0.40234%0.34SS..SBendtrans86.5-179.7174.600000115.2S104G102-S104 PolarHBondContact O-N 2.91Å
103S87.1Confident93.7Very high84 Ų8468.7 Ų68.759%0.58736%0.356SS*.THydrogen-bonded Turntrans-70-21.4177.331.20000112.9K39K39-S103 WeakPolarHBondContact CD-O 3.49Å
104S89.6Confident92.9Very high60 Ų6071 Ų7142%0.4238%0.376SS..THydrogen-bonded Turntrans-102.725.217962.20000112.5R99 G102 V106R99-S104 PolarHBondContact NE-O 3.06Å; R99-S104 PolarHBondContact NE-OG 2.99Å; R99-S104 PolarHBondContact NH2-O 2.84Å; R99-S104 PolarHBondContact NH2-OG 2.85Å; R99-S104 VanDerWaalsContact NH2-OG 3.15Å; G102-S104 PolarHBondContact O-N 2.91Å; S104-V106 PolarHBondContact O-N 3.49Å
105A94.9Very high91.4Very high7 Ų773 Ų736%0.05839%0.385CS..  trans-57.8132.7-179.700000111.1W38 R99W38-A105 PolarHBondContact N-O 3.47Å; R99-A105 CarbonylContact O-C 3.42Å; R99-A105 WeakPolarHBondContact O-CA 3.46Å; R99-A105 WeakPolarHBondContact O-CB 3.34Å
106V96.6Very high89.9Confident19 Ų1970.7 Ų70.712%0.11538%0.383CS..EExtended strand (participates in β ladder)trans-136.9147-180-67.50000110.1I36 R99 S104I36-V106 WeakPolarHBondContact O-CA 3.41Å; R99-V106 CarbonylContact C-O 3.54Å; R99-V106 HydrophobicContact CB-CG2 3.89Å; R99-V106 PolarHBondContact N-O 2.76Å; R99-V106 PolarHBondContact O-N 3.01Å; S104-V106 PolarHBondContact O-N 3.49Å
107R96.9Very high88.2Confident51 Ų5172.1 Ų72.119%0.19238%0.382CS..EExtended strand (participates in β ladder)trans-114.3132.3169.3-70.6-171.8178.5-167-9.7109.7Q35 I36 W38 E93 Y109Q35-R107 CarbonylContact C-O 3.43Å; Q35-R107 WeakPolarHBondContact CA-O 3.49Å; I36-R107 PolarHBondContact N-O 2.97Å; I36-R107 PolarHBondContact O-N 3.21Å; W38-R107 HydrophobicContact CB-CG 3.96Å; W38-R107 HydrophobicContact CD2-CG 4.05Å; W38-R107 HydrophobicContact CE3-CB 4.41Å; W38-R107 HydrophobicContact CE3-CG 4.32Å; W38-R107 HydrophobicContact CG-CG 3.88Å; E93-R107 IonicContact OE2-NH1 2.6Å; R107-Y109 HydrophobicContact CB-CD2 4.28Å; R107-Y109 HydrophobicContact CB-CE2 3.55Å; R107-Y109 WeakPolarHBondContact CD-OH 3.18Å; R107-Y109 PolarHBondContact NH1-OH 3.06Å
108V97.6Very high86.4Confident2 Ų273.9 Ų73.91%0.01240%0.395CS..EExtended strand (participates in β ladder)trans-101.8131.8179.8-177.90000109I27 I33 F34 Q35 V94 Q97 S98I27-V108 HydrophobicContact CD1-CB 4.47Å; I27-V108 HydrophobicContact CD1-CG1 3.85Å; I27-V108 HydrophobicContact CD1-CG2 3.77Å; I33-V108 HydrophobicContact CG2-CG1 3.45Å; I33-V108 VanDerWaalsContact CG2-CG1 3.45Å; F34-V108 WeakPolarHBondContact O-CA 3.23Å; Q35-V108 HydrophobicContact CB-CG2 4.3Å; V94-V108 HydrophobicContact CB-CB 4.41Å; V94-V108 HydrophobicContact CB-CG1 4.14Å; V94-V108 PolarHBondContact N-O 2.83Å; Q97-V108 HydrophobicContact CB-CB 4.01Å; Q97-V108 HydrophobicContact CB-CG1 4.11Å; Q97-V108 HydrophobicContact CB-CG2 3.91Å; Q97-V108 WeakPolarHBondContact O-CG2 3.47Å; S98-V108 PolarHBondContact OG-N 2.93Å
109Y97.3Very high84.5Confident4 Ų477.9 Ų77.92%0.01641%0.411CS..EExtended strand (participates in β ladder)trans-126.6150.8179.9-69.6-84.3000109.9I33 F34 I36 M85 I91 E92 E93 R107I33-Y109 WeakPolarHBondContact CA-O 3.43Å; F34-Y109 WeakPolarHBondContact CD1-O 3.37Å; F34-Y109 HydrophobicContact CE2-CD2 4.28Å; F34-Y109 HydrophobicContact CE2-CG 4.35Å; F34-Y109 HydrophobicContact CZ-CG 4.21Å; F34-Y109 PolarHBondContact N-O 3.08Å; F34-Y109 PolarHBondContact O-N 3.43Å; I36-Y109 HydrophobicContact CD1-CD2 3.89Å; I36-Y109 HydrophobicContact CD1-CE2 3.98Å; I36-Y109 HydrophobicContact CG1-CD2 4.27Å; M85-Y109 HydrophobicContact CE-CD1 3.68Å; M85-Y109 HydrophobicContact CE-CD2 4.08Å; M85-Y109 HydrophobicContact CE-CE1 3.97Å; M85-Y109 HydrophobicContact CE-CE2 4.31Å; M85-Y109 HydrophobicContact CE-CG 3.77Å; I91-Y109 HydrophobicContact CG2-CD1 4.1Å; I91-Y109 HydrophobicContact CG2-CG 4.46Å; E92-Y109 CarbonylContact O-C 3.58Å; E92-Y109 VanDerWaalsContact O-CA 3.25Å; E92-Y109 WeakPolarHBondContact O-CA 3.5Å; E93-Y109 HydrophobicContact CB-CD1 3.86Å; E93-Y109 HydrophobicContact CB-CE1 3.53Å; E93-Y109 HydrophobicContact CG-CD1 4.18Å; E93-Y109 HydrophobicContact CG-CE1 3.69Å; E93-Y109 PolarHBondContact OE2-OH 2.84Å; R107-Y109 HydrophobicContact CB-CD2 4.28Å; R107-Y109 HydrophobicContact CB-CE2 3.55Å; R107-Y109 WeakPolarHBondContact CD-OH 3.18Å; R107-Y109 PolarHBondContact NH1-OH 3.06Å
110R96.5Very high82.6Confident95 Ų9581.8 Ų81.836%0.35843%0.426SS..EExtended strand (participates in β ladder)trans-120.5129.3174.1-177.5169.571.3171.14.4109.7M32 I33 I91 E92 V94M32-R110 WeakPolarHBondContact O-CA 3.44Å; I33-R110 HydrophobicContact CG1-CB 4.17Å; I33-R110 HydrophobicContact CG1-CG 3.97Å; I91-R110 WeakPolarHBondContact CA-O 3.3Å; E92-R110 HydrophobicContact CG-CB 4.12Å; E92-R110 PolarHBondContact N-O 2.55Å; E92-R110 PolarHBondContact O-N 3.48Å; E92-R110 IonicContact OE1-CZ 2.77Å; E92-R110 IonicContact OE1-NE 3.69Å; E92-R110 PolarHBondContact OE1-NE 3.38Å; E92-R110 IonicContact OE1-NH2 2.72Å; E92-R110 PolarHBondContact OE1-NH2 2.99Å; V94-R110 HydrophobicContact CG2-CB 3.83Å
111M95.4Very high80.9Confident4 Ų485 Ų852%0.0243%0.434CS..EExtended strand (participates in β ladder)trans-84.8121.7169.7-52.1-166-178.100109.6R9 L12 E13 I16 W26 M32 F34 I91R9-M111 HydrophobicContact CG-SD 4.15Å; L12-M111 HydrophobicContact CD2-CE 4.33Å; L12-M111 HydrophobicContact CG-CE 4.32Å; E13-M111 HydrophobicContact CB-CE 4.2Å; E13-M111 HydrophobicContact CB-SD 4.46Å; I16-M111 HydrophobicContact CD1-CE 3.83Å; W26-M111 HydrophobicContact CH2-CE 3.94Å; W26-M111 HydrophobicContact CH2-SD 4.12Å; M32-M111 HydrophobicContact CB-CB 3.91Å; M32-M111 PolarHBondContact O-N 3.29Å; F34-M111 HydrophobicContact CD1-CE 4.05Å; F34-M111 HydrophobicContact CD1-CG 4.2Å; F34-M111 HydrophobicContact CE1-CE 3.53Å; F34-M111 HydrophobicContact CE1-CG 3.56Å; F34-M111 HydrophobicContact CE1-SD 4.42Å; F34-M111 HydrophobicContact CZ-CE 3.91Å; I91-M111 HydrophobicContact CD1-CG 4.41Å; I91-M111 HydrophobicContact CG1-CG 4.35Å
112L93.1Very high79.3Confident39 Ų3981 Ų8120%0.20442%0.419CS..PPolyproline II helixtrans-77.6146.1177.8-61.7178.4000110.3R9 D90 E92R9-L112 PolarHBondContact NH1-O 3.32Å; R9-L112 PolarHBondContact NH2-O 3.32Å; D90-L112 PolarHBondContact O-N 3.39Å; E92-L112 HydrophobicContact CG-CD2 4.31Å; E92-L112 HydrophobicContact CG-CG 4.44Å
113P87.9Confident77.6Confident103 Ų10386 Ų8667%0.66943%0.425SS*.PPolyproline II helixtrans-52142.4172.5-25.233.3000111.2L115P113-L115 PolarHBondContact O-N 3.45Å; P113-L115 VanDerWaalsContact O-N 3.08Å
114P78.4Confident76Confident102 Ų10290 Ų9066%0.66243%0.432SS*.PPolyproline II helixtrans-53.8120.7174.8-23.332.7000109.6T116P114-T116 PolarHBondContact O-N 3.35Å
115L65.3Low74.2Confident71 Ų7189.6 Ų89.637%0.37243%0.429SS..PPolyproline II helixtrans-58.4116.8179.8-71.695.4000108.6P113 Q119P113-L115 PolarHBondContact O-N 3.45Å; P113-L115 VanDerWaalsContact O-N 3.08Å; L115-Q119 HydrophobicContact CB-CB 4.4Å; L115-Q119 HydrophobicContact CD2-CB 3.98Å
116T62.8Low72.3Confident99 Ų9995 Ų9561%0.60745%0.452SS*.PPolyproline II helixtrans-58.2145.3170.858.40000108.6P114 N118 Q119P114-T116 PolarHBondContact O-N 3.35Å; T116-N118 PolarHBondContact O-N 3.35Å; T116-Q119 PolarHBondContact O-N 3.2Å
117K60.4Low70.2Confident191 Ų19197.9 Ų97.983%0.8347%0.473SS*.THydrogen-bonded Turntrans-51.9-21.5-168.2-64.3175.4-178.1173.70114.2
118N53.9Low68.2Low142 Ų14298.8 Ų98.876%0.75949%0.487SS*.THydrogen-bonded Turntrans-73.4-29.9179.1-70.312.3000113.9T116T116-N118 PolarHBondContact O-N 3.35Å
119Q55.1Low66.2Low104 Ų104107.8 Ų107.849%0.48652%0.52SS..THydrogen-bonded Turntrans-82-20.3-178.2-65-108.43900113.1L115 T116 K121 E122 R123L115-Q119 HydrophobicContact CB-CB 4.4Å; L115-Q119 HydrophobicContact CD2-CB 3.98Å; T116-Q119 PolarHBondContact O-N 3.2Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.31Å; Q119-E122 PolarHBondContact O-N 3.34Å; Q119-R123 PolarHBondContact O-N 3.19Å
120R55.2Low64.1Low208 Ų208113.1 Ų113.179%0.78555%0.549SS*.Hα-helixtrans-68.9-26.1-179.8-161.6175.4-177-172.80.4112.7
121K56Low62.3Low179 Ų179112 Ų11278%0.77856%0.561SS**Hα-helixtrans-74.2-29.2175.8-77.4-176.4177179.40112.8Q119 S125Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.31Å; K121-S125 PolarHBondContact O-OG 3.44Å
122E55Low60.3Low98 Ų98120.1 Ų120.146%0.45860%0.596SS.*Hα-helixtrans-84.1-34.8-175.3-158.2-169.1141.800113.4Q119 K124 S125 K126Q119-E122 PolarHBondContact O-N 3.34Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.39Å; E122-S125 PolarHBondContact O-N 3.1Å; E122-S125 PolarHBondContact O-OG 3.13Å; E122-K126 PolarHBondContact O-N 3.26Å; E122-K126 IonicContact OE1-NZ 2.78Å; E122-K126 PolarHBondContact OE1-NZ 3.24Å
123R55.1Low58.5Low144 Ų144122.2 Ų122.254%0.54361%0.614SS.*Hα-helixtrans-74.2-24178.2-62-175.780.3-173.65.9112.9Q119 S125 S127Q119-R123 PolarHBondContact O-N 3.19Å; R123-S125 VanDerWaalsContact C-N 3.33Å; R123-S127 PolarHBondContact O-N 2.88Å
124K52.5Low57Low167 Ų167126.3 Ų126.373%0.72662%0.621SS**Hα-helixtrans-73.3-23.9175.1-170.1152.6-178169.80113E122E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.39Å
125S52.9Low55.9Low52 Ų52125.6 Ų125.636%0.36462%0.624SS.*Hα-helixtrans-91.1-15.5176.840.70000114K121 E122 R123 S128K121-S125 PolarHBondContact O-OG 3.44Å; E122-S125 PolarHBondContact O-N 3.1Å; E122-S125 PolarHBondContact O-OG 3.13Å; R123-S125 VanDerWaalsContact C-N 3.33Å; S125-S128 PolarHBondContact O-OG 2.8Å
126K55Low55.2Low121 Ų121131.3 Ų131.353%0.52665%0.646SS.*Hα-helixtrans-80-47.2168.9-85.8165.1176.11510111.9E122 S128 R129E122-K126 PolarHBondContact O-N 3.26Å; E122-K126 IonicContact OE1-NZ 2.78Å; E122-K126 PolarHBondContact OE1-NZ 3.24Å; K126-S128 PolarHBondContact O-N 3.47Å; K126-S128 VanDerWaalsContact O-N 3.17Å; K126-R129 PolarHBondContact O-N 2.85Å; K126-R129 VanDerWaalsContact O-N 3.11Å
127S52.5Low54.6Low80 Ų80137.8 Ų137.856%0.55966%0.659SS**Hα-helixtrans-66.2-20.1-179.568.30000114.8R123R123-S127 PolarHBondContact O-N 2.88Å
128S54.8Low54.4Low70 Ų70138.6 Ų138.649%0.4966%0.662SS.*Hα-helixtrans-80.2-21175.763.60000113.5S125 K126S125-S128 PolarHBondContact O-OG 2.8Å; K126-S128 PolarHBondContact O-N 3.47Å; K126-S128 VanDerWaalsContact O-N 3.17Å
129R54.5Low53.6Low190 Ų190137.6 Ų137.672%0.71767%0.667SS**Hα-helixtrans-79.5-37.3-180-70.8177.9-179.6179.1-0.1111.4K126 A131 K132 S133K126-R129 PolarHBondContact O-N 2.85Å; K126-R129 VanDerWaalsContact O-N 3.11Å; R129-A131 PolarHBondContact O-N 2.88Å; R129-K132 PolarHBondContact O-N 3.48Å; R129-S133 PolarHBondContact O-N 3.38Å
130D54.8Low52.7Low116 Ų116138.9 Ų138.962%0.6269%0.685SS**Hα-helixtrans-71.8-26.1178.3-64.8-61.5000113.8K132 S133D130-K132 VanDerWaalsContact C-N 3.32Å; D130-S133 PolarHBondContact O-OG 2.82Å
131A58.4Low51.7Low73 Ų73132.3 Ų132.360%0.60368%0.682SS**Hα-helixtrans-72.3-25.1174.600000113R129R129-A131 PolarHBondContact O-N 2.88Å
132K52.3Low50.7Low174 Ų174131.1 Ų131.176%0.75769%0.685SS**Hα-helixtrans-91.3-22.6-174.9-163.3152.3-174.2167.50113.6R129 D130R129-K132 PolarHBondContact O-N 3.48Å; D130-K132 VanDerWaalsContact C-N 3.32Å
133S56.4Low49.9Very low82 Ų82131.8 Ų131.857%0.57370%0.7SS**Hα-helixtrans-75.8-21.7176.853.20000113.5R129 D130R129-S133 PolarHBondContact O-N 3.38Å; D130-S133 PolarHBondContact O-OG 2.82Å
134K54.8Low49.3Very low190 Ų190129.6 Ų129.683%0.82671%0.707SS**SBendtrans-84.3-18.4179.7-150.9175.8-173.1173.30114.4
135A57Low49.2Very low87 Ų87127.5 Ų127.572%0.71971%0.71SS**SBendtrans-88.2-6.7-175.700000114.8
136K49.3Very low48.5Very low191 Ų191131.3 Ų131.383%0.8373%0.727SS**SBendtrans-106.212.7-171.4-162.6157178.1178.10115.5
137R50.8Low47.7Very low235 Ų235131 Ų13189%0.88774%0.735SS**SBendtrans-114.727.3179.1-64.5-169.375.3173.63.1115.2
138K55.6Low47.1Very low207 Ų207135.7 Ų135.790%0.975%0.746SS**  trans-134.191.6167.9-96-178.1172-178.50110.5
139S37.5Very low46.7Very low122 Ų122138 Ų13885%0.85376%0.762SS**  trans-151.6137.514670.50000110.5
140C35.7Very low45.9Very low130 Ų130136.8 Ų136.888%0.87877%0.77SS**  trans-56.3165.9-174.649.40000119.3
141G34.9Very low45Very low70 Ų70135.1 Ų135.172%0.72278%0.78SS**  trans156.883.116000000107.3
142D34.9Very low44.2Very low154 Ų154139.7 Ų139.782%0.82479%0.793SS**  49.899.169.3-16740.1000113.8
143S38.2Very low43.8Very low113 Ų113136.8 Ų136.879%0.7980%0.795SS**  trans174.7119.3136.6-72.60000110.3
144S41.7Very low43.1Very low98 Ų98138 Ų13869%0.68580%0.803SS**  trans-71.6161.1158.8-157.50000109.6
145P51.3Low42.3Very low122 Ų122133.8 Ų133.879%0.79280%0.797SS**  -145.816280.131.7-10.3000116.2
146D38.5Very low41.4Very low133 Ų133136.1 Ų136.171%0.71180%0.803SS**  trans-55.8149.6173.6-61.9-76.6000115.9
147T38.5Very low41.2Very low115 Ų115134.4 Ų134.471%0.70680%0.802SS**  trans-163.8105.1144.437.60000112.3
148F39.4Very low41.5Very low178 Ų178129.4 Ų129.478%0.78180%0.8SS**  trans-6.5133.1141.428.6-92.9000119.7
149S45.4Very low41Very low118 Ų118125.4 Ų125.483%0.82579%0.789SS**  167.7141.3117.4-169.30000113.3
150D37.8Very low41.7Very low165 Ų165127.1 Ų127.188%0.88279%0.788SS**  trans-57.5163.9169.8-65.9-66.6000115.7
151G36.6Very low42.5Very low80 Ų80128.7 Ų128.783%0.82578%0.782SS**  trans163120.4157.300000116.4
152L42.2Very low43.8Very low170 Ų170131.2 Ų131.289%0.8979%0.789SS**  trans-84.6162.3-172-62.9158.7000115.3
153S42.9Very low44.2Very low113 Ų113129.4 Ų129.479%0.7979%0.788SS**  trans87108.1141-70.20000123.1
154S41.8Very low44.4Very low107 Ų107133.9 Ų133.975%0.74879%0.789SS**  103137.7105.7-145.60000123.1
155S37.9Very low44.6Very low101 Ų101133.6 Ų133.671%0.70678%0.784SS**  trans81.8137.3149.1-51.40000117.4
156T38.8Very low44.2Very low137 Ų137134.4 Ų134.484%0.8479%0.786SS**  cis-160.5153.837.444.30000113.1
157L43.8Very low44.7Very low154 Ų154133.4 Ų133.481%0.80679%0.787SS**  trans-71173.2170.5-67.4169.4000114.1
158P58.7Low44.6Very low131 Ų131131.6 Ų131.685%0.85179%0.791SS**  -138.7159.3108.735.6-21.2000115.5
159D44.1Very low44.4Very low123 Ų123132 Ų13266%0.65879%0.789SS**  trans-105.7140.1-179.3-146.6-70.9000108.2H161D159-H161 IonicContact OD1-NE2 3.79Å
160D53.5Low44.5Very low158 Ų158132.1 Ų132.185%0.84578%0.778SS**  trans-165144.3147.2-131.8-37000113.3
161H51.5Low44.7Very low163 Ų163131.7 Ų131.776%0.75577%0.77SS**  trans-89144.4-166.8-62.7-89.5000113D159D159-H161 IonicContact OD1-NE2 3.79Å
162S61.5Low44.6Very low123 Ų123134.1 Ų134.186%0.8676%0.764SS**  trans-149.6115.9157.3-163.20000112.4
163S44.8Very low44.8Very low115 Ų115134.6 Ų134.680%0.80477%0.767SS**  trans-94.4126.8169.7174.20000108.2
164Y40.6Very low45Very low207 Ų207137.7 Ų137.781%0.81277%0.769SS**  trans-155.4129.7154.6-160.8-105.4000112.9
165T47.2Very low45Very low93 Ų93139.3 Ų139.357%0.57177%0.774SS**  trans-64.1148.1176.3390000115.5
166V42.2Very low45.2Very low138 Ų138142.2 Ų142.284%0.83678%0.776SS**  trans-145.9117.3146.9-179.40000110.4
167P48.4Very low45Very low112 Ų112144.8 Ų144.873%0.72778%0.779SS**  trans-106.1146.3157.332.9-21.5000111.1
168G36.8Very low44.7Very low77 Ų77141.1 Ų141.179%0.79477%0.77SS**  trans-157114.1175.800000111.5
169Y36.3Very low43.5Very low188 Ų188143.1 Ų143.174%0.73777%0.773SS**  trans-116.4178.8-166.552.4-80.5000110.1
170M47.2Very low43.3Very low120 Ų120143.3 Ų143.359%0.59178%0.779SS**  trans97.8134.2172.4-51.6-72.655.300115.5
171Q41.2Very low43.1Very low155 Ų155141.5 Ų141.572%0.72478%0.776SS**  cis-161.2161.64.8-145.5133.210.900111.4
172D36Very low42.3Very low131 Ų131137.7 Ų137.770%0.70177%0.773SS**  trans-52.6154.1-178.5-53.2-74.5000117.7
173L45.9Very low40.7Very low181 Ų181137.7 Ų137.795%0.94877%0.767SS**  -159.8123.9129.3-103.3148.8000110.8
174E46.7Very low40.2Very low177 Ų177137.7 Ų137.783%0.82776%0.763SS**  trans-72.9152.2179.5-170.6168.611700112.2
175V42Very low39.9Very low141 Ų141134.1 Ų134.186%0.85576%0.758SS**  trans-177.3123.6135.2151.60000109.5
176E41Very low39.8Very low162 Ų162137.3 Ų137.376%0.75777%0.766SS**  trans-55.5150.9168-97.2-153.695.200114.2
177Q35.8Very low39.8Very low191 Ų191138.8 Ų138.889%0.89377%0.77SS**  -171.6139.6115.2-102.5168.21300113.5
178A38Very low40.2Very low77 Ų77142.2 Ų142.264%0.63678%0.776SS**  trans-66.6157.9-17200000116.5
179L32.8Very low40.7Very low173 Ų173147.3 Ų147.391%0.90678%0.779SS**  160.6116.1122.3-82.8155.7000111.3
180T39.7Very low41.4Very low127 Ų127141.5 Ų141.578%0.77978%0.776SS**  trans-89157.8150.3550000107.7
181P50.1Low41.7Very low121 Ų121143.6 Ų143.679%0.78678%0.782SS**  cis-152.3168.94638.6-15.7000118.6
182A33.7Very low42.2Very low83 Ų83142.1 Ų142.169%0.68678%0.778SS**  trans50.8130.5144.100000120.7
183T29Very low43.3Very low122 Ų122139.7 Ų139.775%0.74877%0.77SS**  175.3149.987.7520000111.4
184T33.2Very low43.9Very low115 Ų115136.6 Ų136.671%0.70675%0.751SS**  trans64.1140154.866.50000119.6
185D34.2Very low44.3Very low133 Ų133133.6 Ų133.671%0.71174%0.74SS**  cis-178.1156.5-17.6-92.8-44.2000105.2
186E46.2Very low45.2Very low159 Ų159131.7 Ų131.774%0.74372%0.724SS**  trans70.178.9166.7-42.4-55.4103.300120.9
187D41.7Very low45.9Very low170 Ų170130.5 Ų130.591%0.90972%0.72SS**  trans-105.6105.4151.4-86.1-58.2000109E189D187-E189 PolarHBondContact O-N 2.84Å
188E56.6Low46.9Very low183 Ų183127.9 Ų127.986%0.85571%0.706SS**  trans-86104.9168.7-85.3-77.8132.100109.6
189E47Very low47.5Very low185 Ų185130 Ų13086%0.86471%0.706SS**  trans-82.1134.8170.8-175.2163.4152.200111.4D187D187-E189 PolarHBondContact O-N 2.84Å
190G51.7Low48.5Very low66 Ų66128.2 Ų128.268%0.6870%0.697SS**  trans84.489.9137.800000118.4
191K52.8Low48.9Very low164 Ų164130.3 Ų130.371%0.71370%0.698SS**  trans-164.386.2138-148135.9-175.4173.70113
192L52.3Low48.6Very low123 Ų123131.5 Ų131.564%0.64469%0.692SS**SBendtrans-156.410.1165.3-116.4153.8000117.7I196L192-I196 HydrophobicContact CD2-CD1 4.39Å; L192-I196 WeakPolarHBondContact O-CD1 3.3Å
193P59Low49.3Very low80 Ų80131.1 Ų131.152%0.51969%0.685SS.*SBendtrans-89-19.4173.232.5-31000114.3
194E58.3Low49.6Very low117 Ų117132.7 Ų132.755%0.54768%0.684SS.*Hα-helixtrans-81.1-38.5-172.1-72136.9-158.500113.6I196 M197 K198E194-I196 VanDerWaalsContact C-N 3.31Å; E194-I196 PolarHBondContact O-N 3.31Å; E194-M197 PolarHBondContact O-N 2.78Å; E194-K198 PolarHBondContact O-N 3.27Å; E194-K198 VanDerWaalsContact O-N 3.17Å
195D54.7Low50Low113 Ų113138.5 Ų138.560%0.60469%0.693SS**Hα-helixtrans-71.2-27.2-179.3-71.6-31000112.7L199D195-L199 PolarHBondContact O-N 2.85Å
196I61.9Low50Low101 Ų101138.1 Ų138.152%0.51869%0.687SS.*Hα-helixtrans-72.4-39.4176.7-60.7176.3000110.6L192 E194 L199 L200L192-I196 HydrophobicContact CD2-CD1 4.39Å; L192-I196 WeakPolarHBondContact O-CD1 3.3Å; E194-I196 VanDerWaalsContact C-N 3.31Å; E194-I196 PolarHBondContact O-N 3.31Å; I196-L199 PolarHBondContact O-N 2.82Å; I196-L200 PolarHBondContact O-N 3.26Å
197M55.9Low49.8Very low137 Ų137135.7 Ų135.768%0.67569%0.685SS**Hα-helixtrans-69.1-36.5176.8-74.3-156.2-81.400111.8E194 L199 L200 E201E194-M197 PolarHBondContact O-N 2.78Å; M197-L199 VanDerWaalsContact C-N 3.29Å; M197-L199 PolarHBondContact O-N 3.17Å; M197-L200 PolarHBondContact O-N 2.98Å; M197-E201 PolarHBondContact O-N 3.48Å
198K55.7Low49.9Very low136 Ų136134 Ų13459%0.59168%0.681SS**Hα-helixtrans-68.5-26.1176.9-154.2172.8-175.4179.20113.5E194E194-K198 PolarHBondContact O-N 3.27Å; E194-K198 VanDerWaalsContact O-N 3.17Å
199L51.6Low49.6Very low122 Ų122132.2 Ų132.264%0.63968%0.677SS**Hα-helixtrans-78.8-29.9177.3-147.881.3000112.8D195 I196 M197D195-L199 PolarHBondContact O-N 2.85Å; I196-L199 PolarHBondContact O-N 2.82Å; M197-L199 VanDerWaalsContact C-N 3.29Å; M197-L199 PolarHBondContact O-N 3.17Å
200L52.7Low49.4Very low136 Ų136129.7 Ų129.771%0.71267%0.674SS**Hα-helixtrans-73.4-29.8173.3-100.288.3000112.3I196 M197 Q202I196-L200 PolarHBondContact O-N 3.26Å; M197-L200 PolarHBondContact O-N 2.98Å; L200-Q202 VanDerWaalsContact C-N 3.31Å; L200-Q202 PolarHBondContact O-N 2.71Å
201E48.8Very low49.2Very low171 Ų171131.8 Ų131.880%0.79967%0.67SS**THydrogen-bonded Turntrans-77.8-14.9-179.4-147.8160.9-149.200113.3M197M197-E201 PolarHBondContact O-N 3.48Å
202Q44.5Very low49.1Very low145 Ų145127.2 Ų127.268%0.67867%0.67SS**THydrogen-bonded Turntrans-94.8-1.4177.4-73.7-177-11.400114.6L200 E204L200-Q202 VanDerWaalsContact C-N 3.31Å; L200-Q202 PolarHBondContact O-N 2.71Å; Q202-E204 PolarHBondContact O-N 2.89Å
203S47.5Very low49Very low75 Ų75127.2 Ų127.252%0.52466%0.664SS.*  trans-94.573.1178.4-65.10000111.2W205S203-W205 VanDerWaalsContact C-N 3.27Å; S203-W205 PolarHBondContact O-N 3.28Å
204E34.9Very low48.4Very low156 Ų156127.2 Ų127.273%0.72968%0.679SS**  trans-6387.2161.7-100.2-170.7137.900109.6Q202 Q206Q202-E204 PolarHBondContact O-N 2.89Å; E204-Q206 HydrophobicContact CB-CG 4.3Å; E204-Q206 PolarHBondContact O-N 3.15Å; E204-Q206 PolarHBondContact OE1-NE2 3.16Å
205W41.8Very low47.8Very low237 Ų237130.4 Ų130.490%0.89869%0.687SS**  trans-7683.6159.7-76.285.1000107.9S203 P207S203-W205 VanDerWaalsContact C-N 3.27Å; S203-W205 PolarHBondContact O-N 3.28Å; W205-P207 VanDerWaalsContact O-CD 3.3Å; W205-P207 WeakPolarHBondContact O-CD 3.23Å
206Q35.2Very low47.3Very low124 Ų124133.5 Ų133.558%0.57970%0.703SS**  trans-69.5119.6171.8-70.1-66.7-21.400109.3E204 T208E204-Q206 HydrophobicContact CB-CG 4.3Å; E204-Q206 PolarHBondContact O-N 3.15Å; E204-Q206 PolarHBondContact OE1-NE2 3.16Å; Q206-T208 PolarHBondContact O-N 3.21Å
207P41.2Very low46.2Very low109 Ų109136.8 Ų136.871%0.70872%0.721SS**  trans-74.8105.5165.125.7-20000107.7W205 N209W205-P207 VanDerWaalsContact O-CD 3.3Å; W205-P207 WeakPolarHBondContact O-CD 3.23Å; P207-N209 PolarHBondContact O-N 3.33Å
208T43.2Very low45.3Very low135 Ų135136.6 Ų136.683%0.82872%0.723SS**  trans-7480.5172.460.40000109.2Q206 V210Q206-T208 PolarHBondContact O-N 3.21Å; T208-V210 PolarHBondContact O-N 2.72Å
209N50.7Low44.6Very low144 Ų144137.4 Ų137.477%0.7773%0.729SS**  trans-87.595.6162.5-132.5-43000106.6P207P207-N209 PolarHBondContact O-N 3.33Å
210V42.3Very low44.5Very low133 Ų133136.6 Ų136.681%0.80673%0.731SS**  trans-112.6109.6161.3170.70000107T208T208-V210 PolarHBondContact O-N 2.72Å
211D47.5Very low43.7Very low109 Ų109133.6 Ų133.658%0.58373%0.733SS**  trans60.794.8166.5-133.1-125.7000116K213D211-K213 PolarHBondContact O-N 3.05Å; D211-K213 WeakPolarHBondContact OD1-CE 3.48Å; D211-K213 IonicContact OD1-NZ 2.74Å; D211-K213 PolarHBondContact OD1-NZ 3.29Å
212G51Low43.2Very low69 Ų69132.7 Ų132.771%0.71174%0.738SS**  trans-54.197.6170.700000111.5
213K51Low42.9Very low122 Ų122133.9 Ų133.953%0.5374%0.744SS.*  trans-144.3108.3163.3-55.1-164.1-154.8-48.60108.1D211 Y215D211-K213 PolarHBondContact O-N 3.05Å; D211-K213 WeakPolarHBondContact OD1-CE 3.48Å; D211-K213 IonicContact OD1-NZ 2.74Å; D211-K213 PolarHBondContact OD1-NZ 3.29Å; K213-Y215 HydrophobicContact CB-CD1 4.19Å; K213-Y215 HydrophobicContact CB-CE1 3.34Å; K213-Y215 HydrophobicContact CD-CE1 4.28Å; K213-Y215 HydrophobicContact CG-CE1 4.41Å
214G46.2Very low42.6Very low81 Ų81136.1 Ų136.184%0.83576%0.756SS**  trans-71.2138.3163.100000109.1
215Y46Very low42.4Very low183 Ų183135.3 Ų135.372%0.71876%0.762SS**  trans-129.4108.9163.9-19-84000108K213K213-Y215 HydrophobicContact CB-CD1 4.19Å; K213-Y215 HydrophobicContact CB-CE1 3.34Å; K213-Y215 HydrophobicContact CD-CE1 4.28Å; K213-Y215 HydrophobicContact CG-CE1 4.41Å
216L44.4Very low42.3Very low179 Ų179128.9 Ų128.994%0.93775%0.754SS**  trans-76115.9145.7-88.2169.7000106.1
217L37.1Very low42.3Very low170 Ų170129.3 Ų129.389%0.8977%0.765SS**  trans-138.5124.7156.4-15579.1000110.2
218N38.9Very low42Very low133 Ų133134.3 Ų134.371%0.71177%0.771SS**  trans-94.3163.7172.3-177.233.7000109
219E40.4Very low41.5Very low153 Ų153131.4 Ų131.472%0.71577%0.768SS**  trans91.3160.9161-67.3-94.6124.900117.7
220P48.2Very low40.6Very low105 Ų105130.9 Ų130.968%0.68277%0.765SS**  -131.5169.7-99.424.71.7000113.9
221G36.6Very low40.1Very low73 Ų73134.1 Ų134.175%0.75377%0.768SS**  trans73.2123.8155.100000118.4
222V38.3Very low39.6Very low152 Ų152133.6 Ų133.692%0.92177%0.773SS**  trans-177.4139.2132.6150.20000108.4
223Q38.8Very low38.6Very low170 Ų170136.2 Ų136.279%0.79478%0.78SS**PPolyproline II helixtrans-60.9158.9-169.6-61-82.632.200115.3
224P41Very low37.7Very low121 Ų121140.1 Ų140.179%0.78680%0.796SS**PPolyproline II helixtrans-90.6132168.334-27.1000111.8
225T31.6Very low37.1Very low139 Ų139145.2 Ų145.285%0.85380%0.798SS**PPolyproline II helixtrans-99.9136.9165.22.30000110.4
226S37.9Very low36.6Very low103 Ų103144.3 Ų144.372%0.7280%0.801SS**  trans-38.2156174.159.60000116.8
227V36.8Very low36.7Very low133 Ų133141.4 Ų141.481%0.80679%0.793SS**  -168.4135.3102.7170.30000110.3
228Y34Very low36.8Very low214 Ų214141.9 Ų141.984%0.83979%0.79SS**  trans-10.4138.7159.4-98.1-113000119.8
229G33.3Very low37.2Very low74 Ų74144 Ų14476%0.76380%0.8SS**  trans-157.183.3162.900000110.3
230D31.5Very low36.9Very low132 Ų132143.5 Ų143.571%0.70680%0.802SS**  trans-85.7127.9179.5-155.4-1.3000109
231F30.9Very low36.9Very low201 Ų201142.8 Ų142.888%0.88280%0.8SS**  trans-130.4103.8169.2-86.6-78000110.6
232S36.6Very low37.6Very low98 Ų98145.3 Ų145.369%0.68580%0.803SS**  trans-57.2131.5174.9-175.80000113.1
233C30.9Very low37.4Very low125 Ų125142.2 Ų142.285%0.84580%0.801SS**  trans-61.6140160.9-59.90000110.2
234K31.9Very low37.2Very low203 Ų203137.5 Ų137.588%0.88380%0.799SS**  trans-132.7142.6163.8-78.4-168.9174.6-178.50110.3
235E33.2Very low37.6Very low188 Ų188139.2 Ų139.288%0.87980%0.801SS**  trans-87.4146.7-166-162171.7175.100111
236E36Very low38.5Very low164 Ų164140.2 Ų140.277%0.76680%0.8SS**  trans-9.7153.7159.4-63.3-68.2134.100119.2
237P47.3Very low38.9Very low119 Ų119138.3 Ų138.377%0.77380%0.796SS**  -147.8151.286.135.5-15.6000118.4
238E38.6Very low39.6Very low179 Ų179139.8 Ų139.884%0.83680%0.799SS**  trans5.8129.3149.3-60.6-172.8154.800121
239I47.2Very low40.3Very low177 Ų177134.2 Ų134.291%0.90879%0.791SS**  trans-140.2129.7144.4-46.3173000108.7
240D35.1Very low41.1Very low144 Ų144137.3 Ų137.377%0.7779%0.789SS**  trans-89.8157.5-174.3-178.851.6000113.9
241S47.7Very low41.6Very low90 Ų90138.7 Ų138.763%0.62979%0.792SS**  trans82.7153.8156.3-83.60000121.3
242P51.9Low42.3Very low125 Ų125139.4 Ų139.481%0.81279%0.788SS**  -136.5164.5-58.934.1-14.9000113.5
243G32.2Very low42.8Very low87 Ų87139.6 Ų139.690%0.89779%0.785SS**  trans111.4104.2153.400000116.9
244G34.6Very low43.2Very low71 Ų71140.7 Ų140.773%0.73278%0.776SS**  trans168.985.1171.100000112.6I246G244-I246 PolarHBondContact O-N 3.03Å
245D49.4Very low43.7Very low158 Ų158135.8 Ų135.885%0.84576%0.763SS**  trans-62.2111.7178.7-162.1-16.5000112.3
246I51Low44.1Very low160 Ų160133 Ų13382%0.82176%0.755SS**  trans-142.117163.841.5158.3000112.1G244 L248G244-I246 PolarHBondContact O-N 3.03Å; I246-L248 PolarHBondContact O-N 2.76Å
247G47.4Very low44.5Very low63 Ų63132.2 Ų132.265%0.64976%0.755SS**THydrogen-bonded Turntrans-86.443-164.600000115.9
248L51.2Low44.3Very low164 Ų164135.8 Ų135.886%0.85976%0.758SS**THydrogen-bonded Turntrans-146.49.9172.9-75-177.3000117.2I246I246-L248 PolarHBondContact O-N 2.76Å
249S49.1Very low44.7Very low97 Ų97133 Ų13368%0.67875%0.749SS**SBendtrans-100.1-17.4-179.3-156.70000115.3V253S249-V253 WeakPolarHBondContact O-CG2 3.38Å
250L49Very low44.9Very low138 Ų138132.7 Ų132.772%0.72375%0.746SS**SBendtrans-91.5-12.8-173.5-115123.4000115.6
251Q42.6Very low45.2Very low161 Ų161131.5 Ų131.575%0.75274%0.739SS**SBendtrans-89.3-15.4177.3-76.8-81.11.700113.5
252R45.1Very low45Very low216 Ų216130.8 Ų130.882%0.81574%0.739SS**SBendtrans-86.9-17.7175.2-171.2170.7-85.7175.1-4.8113.4
253V48.3Very low44.7Very low103 Ų103128.9 Ų128.962%0.62473%0.725SS**SBendtrans-88.9-11.9175.9-98.60000114.2S249S249-V253 WeakPolarHBondContact O-CG2 3.38Å
254F37.9Very low45.8Very low148 Ų148133.4 Ų133.465%0.64972%0.715SS**SBendtrans-94.3-10.6179-107.8-86.8000114.8
255T43.9Very low46.5Very low100 Ų100136 Ų13661%0.61371%0.712SS**SBendtrans-92.6-12.2179.538.40000114
256D41.6Very low46.2Very low130 Ų130134.5 Ų134.570%0.69570%0.704SS**SBendtrans-96.40.8-180-121.4-28.3000114.6
257L43.3Very low46.1Very low147 Ų147131.4 Ų131.477%0.7770%0.696SS**SBendtrans-93.8-5.5175.8-159.461.2000113.2
258K44.3Very low46.1Very low193 Ų193134.4 Ų134.484%0.83970%0.697SS**SBendtrans-100.30.8177.7-71.8-174.4177.8-179.80114.1
259N46.5Very low46Very low122 Ų122133.2 Ų133.265%0.65269%0.691SS**  trans-124.332.5-174.4-140.12.9000114.2
260M50.4Low46.2Very low170 Ų170134.1 Ų134.184%0.83769%0.692SS**  trans-98.885.2160.5-74.4-98.373.600107.5
261D41.3Very low46Very low118 Ų118133.4 Ų133.463%0.63170%0.695SS**  trans-56.2141.1179-149.1-36.6000111T263D261-T263 HydrophobicContact CB-CG2 3.98Å; D261-T263 PolarHBondContact O-N 2.9Å
262A44.6Very low46.2Very low75 Ų75131.8 Ų131.862%0.6270%0.697SS**G310 helixtrans-75.730.4-175.700000112.8W264A262-W264 PolarHBondContact O-N 3.34Å
263T45.6Very low46.2Very low86 Ų86132.9 Ų132.953%0.52870%0.701SS.*G310 helixtrans-79.2-16.3-171.451.60000113.8D261 L265 D266D261-T263 HydrophobicContact CB-CG2 3.98Å; D261-T263 PolarHBondContact O-N 2.9Å; T263-L265 VanDerWaalsContact C-N 3.32Å; T263-L265 PolarHBondContact O-N 3.27Å; T263-D266 PolarHBondContact O-N 3.35Å
264W53.7Low46.3Very low181 Ų181135.1 Ų135.169%0.68671%0.708SS**G310 helixtrans-72.4-24.8174.7178.261.3000113.3A262 D266A262-W264 PolarHBondContact O-N 3.34Å; W264-D266 VanDerWaalsContact C-N 3.34Å
265L50.5Low46.5Very low127 Ų127133.4 Ų133.467%0.66571%0.712SS**THydrogen-bonded Turntrans-74.9-23.8176-97.2143000112.8T263T263-L265 VanDerWaalsContact C-N 3.32Å; T263-L265 PolarHBondContact O-N 3.27Å
266D42.4Very low47Very low126 Ų126133.5 Ų133.567%0.67472%0.717SS**G310 helixtrans-82.1-22.9-178.4-156.854.5000112.9T263 W264 L268 L269T263-D266 PolarHBondContact O-N 3.35Å; W264-D266 VanDerWaalsContact C-N 3.34Å; D266-L268 PolarHBondContact O-N 3.41Å; D266-L269 PolarHBondContact O-N 3.48Å
267S49.2Very low47.7Very low94 Ų94135 Ų13566%0.65772%0.723SS**G310 helixtrans-67.8-4.1174.6-64.80000114.6
268L48.1Very low48.4Very low127 Ų127135.9 Ų135.967%0.66572%0.723SS**G310 helixtrans-95.8-6.2176.2-64.4178.9000113.7D266D266-L268 PolarHBondContact O-N 3.41Å
269L49.1Very low49.1Very low139 Ų139131.1 Ų131.173%0.72872%0.72SS**  trans-107.184.1169.2-90.576.4000109.3D266 P271D266-L269 PolarHBondContact O-N 3.48Å; L269-P271 WeakPolarHBondContact O-CD 3.36Å
270T51.9Low49.9Very low115 Ų115132.5 Ų132.571%0.70673%0.726SS**  trans-69126.6157.840.70000108.1V272T270-V272 PolarHBondContact O-N 3.29Å
271P45.7Very low50.5Low123 Ų123130.1 Ų130.180%0.79972%0.723SS**  trans-67.9106.4163.626.4-28000106.4L269 R273L269-P271 WeakPolarHBondContact O-CD 3.36Å; P271-R273 VanDerWaalsContact C-N 3.27Å; P271-R273 PolarHBondContact O-N 3.37Å
272V45.7Very low51.5Low128 Ų128130.5 Ų130.578%0.77673%0.733SS**  trans-58.2100.5162.91750000106T270 L274T270-V272 PolarHBondContact O-N 3.29Å; V272-L274 PolarHBondContact O-N 3.22Å
273R46.4Very low52.4Low239 Ų239131.4 Ų131.490%0.90274%0.741SS**  trans-62.7104.8170.9-150.2-177.9-177.6168.51.3106P271P271-R273 VanDerWaalsContact C-N 3.27Å; P271-R273 PolarHBondContact O-N 3.37Å
274L50.3Low53.6Low150 Ų150136.8 Ų136.879%0.78578%0.777SS**  trans-49.8134.2168.7-89.9148.8000108.6V272 S276V272-L274 PolarHBondContact O-N 3.22Å; L274-S276 PolarHBondContact O-N 3.37Å; L274-S276 VanDerWaalsContact O-N 3.17Å
275P42.4Very low53.5Low111 Ų111134.6 Ų134.672%0.72178%0.782SS**  trans-62.8122.817026.2-29.9000107.7I277P275-I277 PolarHBondContact O-N 3.42Å
276S53.6Low53.7Low103 Ų103134.9 Ų134.972%0.7279%0.788SS**  trans-59.6101.5172.5174.80000108.8L274 Q278L274-S276 PolarHBondContact O-N 3.37Å; L274-S276 VanDerWaalsContact O-N 3.17Å; S276-Q278 PolarHBondContact O-N 3.17Å
277I57.2Low54.3Low161 Ų161135.4 Ų135.483%0.82680%0.795SS**  trans-67.7102.5167.9-64.9171.3000106.5P275P275-I277 PolarHBondContact O-N 3.42Å
278Q57.5Low54.6Low165 Ų165137.9 Ų137.977%0.77180%0.803SS**PPolyproline II helixtrans-80.3120.6164.8-67.5-173.20.200107.6S276 I280S276-Q278 PolarHBondContact O-N 3.17Å; Q278-I280 PolarHBondContact O-N 3.07Å
279A59.9Low55Low94 Ų94138.6 Ų138.678%0.77781%0.811SS**PPolyproline II helixtrans-69.7126.5171.800000109.3P281A279-P281 WeakPolarHBondContact O-CD 3.49Å
280I63.3Low55.4Low151 Ų151138.5 Ų138.577%0.77482%0.817SS**PPolyproline II helixtrans-78.5120.6171.6-60168.3000107.1Q278 C282Q278-I280 PolarHBondContact O-N 3.07Å; I280-C282 PolarHBondContact O-N 3.31Å
281P62.5Low55.7Low119 Ų119140.2 Ų140.277%0.77383%0.825SS**PPolyproline II helixtrans-72.4118.8172.326.9-29.5000109.6A279 A283A279-P281 WeakPolarHBondContact O-CD 3.49Å; P281-A283 PolarHBondContact O-N 3.47Å
282C62.2Low56.5Low126 Ų126141.5 Ų141.585%0.85183%0.827SS**PPolyproline II helixtrans-72.7116.2164.2-65.80000108.4I280I280-C282 PolarHBondContact O-N 3.31Å
283A63.8Low57.4Low95 Ų95142.7 Ų142.779%0.78583%0.831SS**PPolyproline II helixtrans-87.1141.2169.400000110.2P281P281-A283 PolarHBondContact O-N 3.47Å
284P69.2Low58.4Low198 Ų198133.9 Ų133.9100%1.28682%0.824SS**  trans-82.8015833-30.3000112.4

Retrieved 284 of 284 residues in 59.7 ms (Link to these results)

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