A0A077ZMI8_TRITR Loading...

DUF218 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M49Very low71.6Confident179 Ų17983 Ų8388%0.88244%0.442SS*.  0-38.80-85.3-176.6-106.800114.5
2V49.5Very low73.5Confident36 Ų3682.8 Ų82.822%0.21844%0.44CS..G310 helixtrans-71.6-25.9171.1178.80000112.8A4 S5 Q119V2-A4 PolarHBondContact O-N 3.36Å; V2-A4 VanDerWaalsContact O-N 3.13Å; V2-S5 PolarHBondContact O-N 3.21Å; V2-S5 PolarHBondContact O-OG 2.85Å; V2-Q119 HydrophobicContact CG1-CB 4.28Å
3N50.1Low75.2Confident118 Ų11879.4 Ų79.463%0.63143%0.425SS*.G310 helixtrans-59.9-26.5177.5-76.6-13.4000114.1S5 K6N3-S5 VanDerWaalsContact C-N 3.25Å; N3-S5 PolarHBondContact O-N 3.46Å; N3-K6 WeakPolarHBondContact O-CB 3.37Å; N3-K6 PolarHBondContact O-N 3.42Å
4A55.2Low76.6Confident62 Ų6282.5 Ų82.551%0.51244%0.441SS..G310 helixtrans-66.3-27.2176.800000112.6V2 K6V2-A4 PolarHBondContact O-N 3.36Å; V2-A4 VanDerWaalsContact O-N 3.13Å; A4-K6 VanDerWaalsContact C-N 3.29Å; A4-K6 PolarHBondContact O-N 3.13Å
5S62.9Low77.8Confident6 Ų680.9 Ų80.94%0.04244%0.444CS..G310 helixtrans-79.1-9.5177.465.90000113.4V2 N3 Q7 L8 Q119V2-S5 PolarHBondContact O-N 3.21Å; V2-S5 PolarHBondContact O-OG 2.85Å; N3-S5 VanDerWaalsContact C-N 3.25Å; N3-S5 PolarHBondContact O-N 3.46Å; S5-Q7 PolarHBondContact O-N 3.17Å; S5-L8 PolarHBondContact O-N 3.04Å; S5-Q119 PolarHBondContact OG-O 3.36Å
6K60.8Low79Confident114 Ų11475.9 Ų75.950%0.49642%0.417SS..G310 helixtrans-63.7-31.9176.3-71.4-171174.5-170.60112.3N3 A4 L8 T9N3-K6 WeakPolarHBondContact O-CB 3.37Å; N3-K6 PolarHBondContact O-N 3.42Å; A4-K6 VanDerWaalsContact C-N 3.29Å; A4-K6 PolarHBondContact O-N 3.13Å; K6-L8 PolarHBondContact O-N 3.3Å; K6-T9 PolarHBondContact O-OG1 3.41Å
7Q81.2Confident79.9Confident172 Ų17274.8 Ų74.880%0.80441%0.414SS*.G310 helixtrans-80.2-2.9175.7-65.7-179.9-10.700113S5S5-Q7 PolarHBondContact O-N 3.17Å
8L92.9Very high80.9Confident64 Ų6474.4 Ų74.434%0.33542%0.422SS..G310 helixtrans-110.122.9179.3-60.6176.1000111.4S5 K6 W10 I122 G134S5-L8 PolarHBondContact O-N 3.04Å; K6-L8 PolarHBondContact O-N 3.3Å; L8-W10 HydrophobicContact CB-CZ3 4.36Å; L8-W10 HydrophobicContact CD2-CH2 4.36Å; L8-W10 WeakPolarHBondContact O-CZ3 3.41Å; L8-I122 HydrophobicContact CB-CD1 4.08Å; L8-I122 HydrophobicContact CB-CG2 4.2Å; L8-I122 HydrophobicContact CD1-CG2 3.72Å; L8-I122 WeakPolarHBondContact O-CD1 3.17Å; L8-G134 PolarHBondContact O-N 2.92Å
9T94.7Very high81.7Confident22 Ų2273.2 Ų73.214%0.13541%0.41CS..EExtended strand (participates in β ladder)trans-125.6137.7173.357.40000110.9K6 N118 Q119 I122 G134K6-T9 PolarHBondContact O-OG1 3.41Å; T9-N118 HydrophobicContact CG2-CB 3.97Å; T9-Q119 HydrophobicContact CG2-CG 4.31Å; T9-I122 HydrophobicContact CG2-CD1 3.73Å; T9-G134 CarbonylContact C-O 3.54Å; T9-G134 VanDerWaalsContact CA-O 3.27Å; T9-G134 WeakPolarHBondContact CA-O 3.35Å
10W96.3Very high82.4Confident55 Ų5573.3 Ų73.321%0.20841%0.41CS..EExtended strand (participates in β ladder)trans-120.4153.7-179.9-68.7-98.8000110.2L8 V16 P17 I133 G134 F135 N136L8-W10 HydrophobicContact CB-CZ3 4.36Å; L8-W10 HydrophobicContact CD2-CH2 4.36Å; L8-W10 WeakPolarHBondContact O-CZ3 3.41Å; W10-V16 HydrophobicContact CB-CB 3.84Å; W10-V16 HydrophobicContact CB-CG2 3.91Å; W10-V16 HydrophobicContact CD2-CG2 4.11Å; W10-V16 HydrophobicContact CE3-CG2 4.4Å; W10-V16 HydrophobicContact CG-CB 3.93Å; W10-V16 HydrophobicContact CG-CG2 3.91Å; W10-P17 VanDerWaalsContact CE2-CD 3.4Å; W10-P17 HydrophobicContact CH2-CG 4.4Å; W10-P17 HydrophobicContact CZ2-CG 3.79Å; W10-I133 HydrophobicContact CE3-CB 3.89Å; W10-I133 HydrophobicContact CE3-CD1 4.42Å; W10-I133 HydrophobicContact CE3-CG2 4.34Å; W10-I133 HydrophobicContact CH2-CB 3.88Å; W10-I133 HydrophobicContact CH2-CG2 3.38Å; W10-I133 HydrophobicContact CZ3-CB 3.21Å; W10-I133 HydrophobicContact CZ3-CD1 4.25Å; W10-I133 HydrophobicContact CZ3-CG1 4.3Å; W10-I133 HydrophobicContact CZ3-CG2 3.27Å; W10-G134 PolarHBondContact N-O 3.29Å; W10-F135 HydrophobicContact CB-CD2 3.85Å; W10-F135 HydrophobicContact CB-CE2 4.22Å; W10-N136 WeakPolarHBondContact O-CB 3.37Å; W10-N136 PolarHBondContact O-N 3.26Å; W10-N136 PolarHBondContact O-ND2 3.38Å
11S94.8Very high83.1Confident85 Ų8569.8 Ų69.859%0.59439%0.39SS*.  trans-132-9.7174.3-54.70000112.8N136S11-N136 WeakPolarHBondContact OG-CB 3.17Å; S11-N136 PolarHBondContact OG-ND2 3.47Å; S11-N136 VanDerWaalsContact OG-ND2 3.12Å
12D94.7Very high85.4Confident80 Ų8061.3 Ų61.343%0.42835%0.348SS..  trans-101.6120.4172.7173.916.6000109.7N14 A15 V16 F135D12-N14 PolarHBondContact O-N 3.01Å; D12-N14 PolarHBondContact OD1-N 2.87Å; D12-N14 PolarHBondContact OD1-ND2 3.11Å; D12-A15 HydrophobicContact CB-CB 4.04Å; D12-A15 PolarHBondContact O-N 3.4Å; D12-V16 PolarHBondContact O-N 3.5Å; D12-V16 VanDerWaalsContact O-N 3.17Å; D12-F135 WeakPolarHBondContact O-CE2 3Å
13V96.1Very high87.7Confident39 Ų3959.6 Ų59.624%0.23634%0.338CS..THydrogen-bonded Turntrans-62.1-24.218072.10000111.9V16 L44 A47 K49 F135V13-V16 WeakPolarHBondContact O-CG1 3.45Å; V13-L44 HydrophobicContact CG2-CD2 4.22Å; V13-A47 HydrophobicContact CG2-CB 3.5Å; V13-A47 VanDerWaalsContact CG2-CB 3.5Å; V13-K49 HydrophobicContact CG2-CG 4.37Å; V13-K49 WeakPolarHBondContact O-CE 3.46Å; V13-F135 HydrophobicContact CB-CZ 4.02Å
14N94.3Very high90Very high123 Ų12354 Ų5466%0.65831%0.308SS*.THydrogen-bonded Turntrans-80.9-36.9178.8-61.3-55.9000111.7D12 K49D12-N14 PolarHBondContact O-N 3.01Å; D12-N14 PolarHBondContact OD1-N 2.87Å; D12-N14 PolarHBondContact OD1-ND2 3.11Å; N14-K49 PolarHBondContact O-NZ 3.43Å
15A94.9Very high91.8Very high59 Ų5951.1 Ų51.149%0.48828%0.284SS..THydrogen-bonded Turntrans-80.3-22-177.600000114.8D12D12-A15 HydrophobicContact CB-CB 4.04Å; D12-A15 PolarHBondContact O-N 3.4Å
16V96.2Very high92.8Very high1 Ų151.9 Ų51.91%0.00629%0.293CS..SBendtrans-66.4134.6-178.767.60000111.6W10 D12 V13 L44 K49 I133 F135W10-V16 HydrophobicContact CB-CB 3.84Å; W10-V16 HydrophobicContact CB-CG2 3.91Å; W10-V16 HydrophobicContact CD2-CG2 4.11Å; W10-V16 HydrophobicContact CE3-CG2 4.4Å; W10-V16 HydrophobicContact CG-CB 3.93Å; W10-V16 HydrophobicContact CG-CG2 3.91Å; D12-V16 PolarHBondContact O-N 3.5Å; D12-V16 VanDerWaalsContact O-N 3.17Å; V13-V16 WeakPolarHBondContact O-CG1 3.45Å; V16-L44 HydrophobicContact CG1-CD2 3.78Å; V16-K49 HydrophobicContact CG1-CB 4.15Å; V16-K49 HydrophobicContact CG1-CD 4.02Å; V16-K49 HydrophobicContact CG1-CG 3.78Å; V16-K49 VanDerWaalsContact O-CE 3.29Å; V16-K49 WeakPolarHBondContact O-CE 3.37Å; V16-K49 PolarHBondContact O-NZ 3.03Å; V16-I133 HydrophobicContact CG2-CD1 3.98Å; V16-F135 HydrophobicContact CB-CD2 3.76Å; V16-F135 HydrophobicContact CB-CE2 3.92Å; V16-F135 HydrophobicContact CG1-CD2 3.92Å; V16-F135 HydrophobicContact CG1-CE2 3.85Å; V16-F135 HydrophobicContact CG2-CD2 3.81Å; V16-F135 HydrophobicContact CG2-CE2 4.47Å
17P95.8Very high93.5Very high56 Ų5646.8 Ų46.836%0.36427%0.272SS..PPolyproline II helixtrans-60.8139.7171.4-23.433000111.6W10 I133W10-P17 VanDerWaalsContact CE2-CD 3.4Å; W10-P17 HydrophobicContact CH2-CG 4.4Å; W10-P17 HydrophobicContact CZ2-CG 3.79Å; P17-I133 HydrophobicContact CB-CD1 4.11Å; P17-I133 HydrophobicContact CG-CD1 4.28Å
18A96.7Very high92.8Very high68 Ų6845.7 Ų45.756%0.56226%0.261SS*.PPolyproline II helixtrans-70.7139.8174.300000110.8K49A18-K49 WeakPolarHBondContact CA-O 3.32Å
19R96.2Very high91.2Very high52 Ų5244.9 Ų44.920%0.19626%0.259CS..  trans-133.2159.4171.7-62.1-67.9-171.1161.18.1108.5K49 V50 H108 T110 D131 I133R19-K49 PolarHBondContact N-O 2.9Å; R19-K49 VanDerWaalsContact O-O 3.07Å; R19-V50 VanDerWaalsContact O-CA 3.32Å; R19-V50 WeakPolarHBondContact O-CA 3.29Å; R19-H108 PolarHBondContact NH1-CD2 2.9Å; R19-T110 WeakPolarHBondContact CB-OG1 3.37Å; R19-T110 VanDerWaalsContact CG-OG1 3.23Å; R19-T110 WeakPolarHBondContact CG-OG1 3.32Å; R19-D131 IonicContact CZ-OD2 3.82Å; R19-D131 IonicContact NH1-OD2 2.79Å; R19-D131 PolarHBondContact NH1-OD2 3.46Å; R19-D131 IonicContact NH2-OD1 2.82Å; R19-D131 PolarHBondContact NH2-OD1 2.68Å; R19-D131 VanDerWaalsContact NH2-OD1 3.1Å; R19-D131 IonicContact NH2-OD2 3.92Å; R19-D131 PolarHBondContact NH2-OD2 2.65Å; R19-I133 HydrophobicContact CG-CD1 3.85Å; R19-I133 HydrophobicContact CG-CG1 4.09Å
20N95.1Very high89.8Confident75 Ų7547.9 Ų47.940%0.40129%0.294SS..SBendtrans-67.5-43.8178.4-77.7-25.4000111.5K51 W52N20-K51 PolarHBondContact O-N 2.91Å; N20-K51 PolarHBondContact OD1-NZ 3.42Å; N20-W52 HydrophobicContact CB-CE3 4.02Å; N20-W52 HydrophobicContact CB-CZ3 3.85Å; N20-W52 PolarHBondContact O-N 3.28Å
21V97.6Very high88.6Confident0 Ų048.4 Ų48.40%030%0.301CS..EExtended strand (participates in β ladder)trans-119.3129.4-172-178.60000112.2W52 L54 E106 T110 I179V21-W52 WeakPolarHBondContact CA-O 3.32Å; V21-W52 HydrophobicContact CG2-CB 4.32Å; V21-W52 HydrophobicContact CG2-CE3 4.34Å; V21-L54 HydrophobicContact CG1-CB 3.78Å; V21-E106 HydrophobicContact CB-CG 4.01Å; V21-E106 HydrophobicContact CG1-CG 4.26Å; V21-E106 HydrophobicContact CG2-CG 3.65Å; V21-E106 WeakPolarHBondContact CG2-OE1 3.41Å; V21-T110 PolarHBondContact O-N 2.89Å; V21-I179 HydrophobicContact CG1-CD1 4.01Å; V21-I179 HydrophobicContact CG2-CB 4.37Å; V21-I179 HydrophobicContact CG2-CD1 4.03Å; V21-I179 HydrophobicContact CG2-CG2 3.79Å
22G98.3Very high87.7Confident0 Ų051 Ų510%030%0.298CS..EExtended strand (participates in β ladder)trans-93.6115.7165.500000111.1L24 W52 L53 L54 T110G22-L24 PolarHBondContact O-N 3.31Å; G22-W52 PolarHBondContact N-O 3.35Å; G22-L53 WeakPolarHBondContact O-CA 3.34Å; G22-L54 PolarHBondContact O-N 2.87Å; G22-T110 CarbonylContact C-O 3.59Å; G22-T110 VanDerWaalsContact CA-O 3.24Å; G22-T110 WeakPolarHBondContact CA-O 3.33Å
23L98Very high87.1Confident0 Ų048.4 Ų48.40%028%0.282CS..EExtended strand (participates in β ladder)trans-86102173174.560.9000109.6L25 L54 V97 A100 I109 T110 I111 I112L23-L25 HydrophobicContact CD1-CD2 4.39Å; L23-L25 HydrophobicContact CD2-CD2 3.9Å; L23-L25 HydrophobicContact CG-CD2 3.89Å; L23-L25 PolarHBondContact O-N 3.21Å; L23-L54 CarbonylContact C-O 3.51Å; L23-L54 WeakPolarHBondContact CA-O 3.42Å; L23-L54 HydrophobicContact CD1-CB 4.3Å; L23-L54 HydrophobicContact CD1-CD2 3.93Å; L23-L54 HydrophobicContact CD1-CG 3.89Å; L23-V97 HydrophobicContact CD2-CG2 4.27Å; L23-A100 HydrophobicContact CD2-CB 4.22Å; L23-I109 HydrophobicContact CB-CD1 4.28Å; L23-I109 HydrophobicContact CD2-CD1 3.86Å; L23-T110 PolarHBondContact N-O 2.84Å; L23-I111 HydrophobicContact CD2-CG1 4.43Å; L23-I111 CarbonylContact O-C 3.56Å; L23-I111 WeakPolarHBondContact O-CA 3.46Å; L23-I112 PolarHBondContact O-N 3.41Å
24L96.9Very high86.8Confident1 Ų147.9 Ų47.91%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-82.1110.8173174.760.6000109.7G22 R37 I38 A41 L54 V55 S56 M70 L74 I112G22-L24 PolarHBondContact O-N 3.31Å; L24-R37 HydrophobicContact CD1-CB 3.7Å; L24-I38 HydrophobicContact CD2-CD1 3.8Å; L24-A41 HydrophobicContact CD1-CB 4.34Å; L24-A41 HydrophobicContact CD2-CB 4.2Å; L24-L54 PolarHBondContact N-O 3.28Å; L24-V55 HydrophobicContact CB-CG1 4.2Å; L24-V55 HydrophobicContact CD2-CG1 3.97Å; L24-S56 PolarHBondContact O-N 3.28Å; L24-M70 HydrophobicContact CD2-CB 4.24Å; L24-M70 HydrophobicContact CD2-CG 4.29Å; L24-M70 HydrophobicContact CD2-SD 3.7Å; L24-M70 HydrophobicContact CG-SD 3.79Å; L24-L74 HydrophobicContact CD2-CD1 4.16Å; L24-I112 HydrophobicContact CD1-CB 4.24Å; L24-I112 HydrophobicContact CD1-CG2 4.05Å
25L93.8Very high86.6Confident2 Ų245.8 Ų45.81%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-78.5133.7177.1-61.6-178.3000110.9L23 A27 R37 T93 I111 I112 H117 A121L23-L25 HydrophobicContact CD1-CD2 4.39Å; L23-L25 HydrophobicContact CD2-CD2 3.9Å; L23-L25 HydrophobicContact CG-CD2 3.89Å; L23-L25 PolarHBondContact O-N 3.21Å; L25-A27 PolarHBondContact O-N 3.02Å; L25-R37 PolarHBondContact O-NH1 3.37Å; L25-T93 HydrophobicContact CD1-CG2 4.27Å; L25-I111 HydrophobicContact CD1-CG2 3.54Å; L25-I111 HydrophobicContact CG-CG2 3.81Å; L25-I112 PolarHBondContact N-O 3.48Å; L25-H117 VanDerWaalsContact CD1-CE1 3.45Å; L25-H117 WeakPolarHBondContact CD1-CE1 3.3Å; L25-A121 HydrophobicContact CD1-CB 3.94Å
26G84.1Confident86.4Confident21 Ų2146.6 Ų46.622%0.21626%0.259CS..  trans-49133.4178.200000114R37 S56 E66G26-R37 VanDerWaalsContact C-NH1 3.34Å; G26-R37 PolarHBondContact O-NH1 2.98Å; G26-S56 WeakPolarHBondContact CA-O 3.34Å; G26-S56 PolarHBondContact N-O 3.15Å; G26-E66 WeakPolarHBondContact CA-OE1 3.37Å
27A74.2Confident86.4Confident8 Ų847.3 Ų47.37%0.06626%0.262CS..  trans-128.6138.4162.100000107.1L25 P29 F34 E66L25-A27 PolarHBondContact O-N 3.02Å; A27-P29 WeakPolarHBondContact O-CD 3.44Å; A27-P29 VanDerWaalsContact O-N 3.15Å; A27-F34 HydrophobicContact CB-CB 4.44Å; A27-F34 VanDerWaalsContact O-CD2 3.26Å; A27-F34 WeakPolarHBondContact O-CD2 3.46Å; A27-E66 WeakPolarHBondContact CA-OE1 3.32Å; A27-E66 PolarHBondContact N-OE1 3.31Å
28R66.8Low86.3Confident149 Ų14944.8 Ų44.856%0.56225%0.245SC*.  trans-58119.4-176.3-170.1-172.4170.791.3-1.2111.6G30 N31 Y64 E66R28-G30 PolarHBondContact O-N 3.26Å; R28-N31 HydrophobicContact CB-CB 4.3Å; R28-N31 WeakPolarHBondContact O-CA 3.33Å; R28-N31 WeakPolarHBondContact O-CB 3.04Å; R28-N31 PolarHBondContact O-N 2.83Å; R28-Y64 VanDerWaalsContact C-OH 3.3Å; R28-Y64 WeakPolarHBondContact CA-OH 3.43Å; R28-Y64 WeakPolarHBondContact CB-OH 3.49Å; R28-Y64 HydrophobicContact CG-CE2 4.37Å; R28-Y64 WeakPolarHBondContact CG-OH 3.03Å; R28-E66 PolarHBondContact N-OE1 2.93Å
29P59.9Low86.3Confident47 Ų4744.4 Ų44.431%0.30523%0.234SC..THydrogen-bonded Turntrans-38.2132.5162.9-23.63000113.6A27 N31 F34 Y64A27-P29 WeakPolarHBondContact O-CD 3.44Å; A27-P29 VanDerWaalsContact O-N 3.15Å; P29-N31 VanDerWaalsContact C-N 3.29Å; P29-F34 HydrophobicContact CG-CD2 4.47Å; P29-F34 HydrophobicContact CG-CE2 4.14Å; P29-Y64 HydrophobicContact CB-CE2 4.36Å; P29-Y64 WeakPolarHBondContact CD-OH 3.5Å; P29-Y64 HydrophobicContact CG-CE2 3.91Å; P29-Y64 VanDerWaalsContact CG-OH 3.25Å; P29-Y64 WeakPolarHBondContact CG-OH 3.37Å
30G64.5Low86.3Confident85 Ų8542.5 Ų42.588%0.87623%0.228SC*.THydrogen-bonded Turntrans85.2-11.9-169.600000114.7R28R28-G30 PolarHBondContact O-N 3.26Å
31N72.9Confident86.5Confident65 Ų6538.9 Ų38.935%0.34821%0.209SC..SBendtrans-74.8135.8168.2-169.8-30.2000109.6R28 P29 Y33 F34R28-N31 HydrophobicContact CB-CB 4.3Å; R28-N31 WeakPolarHBondContact O-CA 3.33Å; R28-N31 WeakPolarHBondContact O-CB 3.04Å; R28-N31 PolarHBondContact O-N 2.83Å; P29-N31 VanDerWaalsContact C-N 3.29Å; N31-Y33 PolarHBondContact O-N 3.45Å; N31-Y33 WeakPolarHBondContact OD1-CD2 3.45Å; N31-Y33 PolarHBondContact OD1-N 3.28Å; N31-F34 VanDerWaalsContact O-CB 3.25Å; N31-F34 WeakPolarHBondContact O-CB 3.17Å; N31-F34 PolarHBondContact O-N 3.04Å
32R74.7Confident86.5Confident140 Ų14039.1 Ų39.153%0.52821%0.21SC..Hα-helixtrans-57.4-18.1177.2-60.8-176.4-62.7-155.31113.9L140 H144R32-L140 HydrophobicContact CB-CD1 3.69Å; R32-L140 HydrophobicContact CB-CD2 3.68Å; R32-L140 HydrophobicContact CB-CG 4.31Å; R32-H144 PolarHBondContact NH2-CD2 2.85Å; R32-H144 PolarHBondContact NH2-CE1 3.49Å; R32-H144 PolarHBondContact NH2-NE2 1.99Å
33Y83.2Confident86.5Confident25 Ų2541.3 Ų41.310%0.09823%0.228CC..Hα-helixtrans-78.8-24.6173.3-67.9-61.6000114.3N31 R36 R37 Q114 D139 L140N31-Y33 PolarHBondContact O-N 3.45Å; N31-Y33 WeakPolarHBondContact OD1-CD2 3.45Å; N31-Y33 PolarHBondContact OD1-N 3.28Å; Y33-R36 PolarHBondContact O-N 3.14Å; Y33-R37 WeakPolarHBondContact O-CG 3.09Å; Y33-R37 PolarHBondContact O-N 2.86Å; Y33-Q114 HydrophobicContact CD1-CG 3.61Å; Y33-Q114 HydrophobicContact CE1-CG 3.6Å; Y33-D139 WeakPolarHBondContact CE1-OD1 2.94Å; Y33-D139 PolarHBondContact OH-OD1 3.4Å; Y33-L140 HydrophobicContact CD1-CD1 4.22Å; Y33-L140 HydrophobicContact CD1-CG 4.17Å; Y33-L140 HydrophobicContact CD2-CD1 4.32Å; Y33-L140 HydrophobicContact CE1-CB 4.43Å; Y33-L140 HydrophobicContact CE1-CD1 3.74Å; Y33-L140 HydrophobicContact CE1-CG 3.67Å; Y33-L140 HydrophobicContact CE2-CD1 3.82Å
34F88.3Confident86.5Confident28 Ų2841.3 Ų41.312%0.12323%0.228CC..Hα-helixtrans-58-60.6-173.1178.4-97.7000111.7A27 P29 N31 R36 R37 I38 M70 A73A27-F34 HydrophobicContact CB-CB 4.44Å; A27-F34 VanDerWaalsContact O-CD2 3.26Å; A27-F34 WeakPolarHBondContact O-CD2 3.46Å; P29-F34 HydrophobicContact CG-CD2 4.47Å; P29-F34 HydrophobicContact CG-CE2 4.14Å; N31-F34 VanDerWaalsContact O-CB 3.25Å; N31-F34 WeakPolarHBondContact O-CB 3.17Å; N31-F34 PolarHBondContact O-N 3.04Å; F34-R36 PolarHBondContact O-N 2.96Å; F34-R37 PolarHBondContact O-N 2.8Å; F34-I38 HydrophobicContact CD1-CG1 4.2Å; F34-I38 HydrophobicContact CE1-CG1 3.89Å; F34-I38 HydrophobicContact CE2-CD1 4.39Å; F34-I38 HydrophobicContact CE2-CG1 4.31Å; F34-I38 HydrophobicContact CZ-CD1 4.15Å; F34-I38 HydrophobicContact CZ-CG1 3.97Å; F34-I38 WeakPolarHBondContact O-CG1 3.32Å; F34-I38 PolarHBondContact O-N 3.43Å; F34-M70 HydrophobicContact CD2-CG 4.48Å; F34-M70 HydrophobicContact CE2-CG 3.62Å; F34-M70 HydrophobicContact CZ-CG 4.29Å; F34-A73 HydrophobicContact CE1-CB 3.89Å; F34-A73 HydrophobicContact CZ-CB 3.93Å
35T89.7Confident86.5Confident80 Ų8043.8 Ų43.849%0.49124%0.238SC..Hα-helixtrans-55.3-41.8-178.5-50.60000111.7R37 I38 D39T35-R37 PolarHBondContact O-N 3.46Å; T35-I38 PolarHBondContact O-N 3.49Å; T35-D39 WeakPolarHBondContact O-CB 3.31Å; T35-D39 PolarHBondContact O-N 3.33Å
36R92.5Very high86.7Confident76 Ų7648.9 Ų48.929%0.28726%0.262SS..Hα-helixtrans-64.5-40.3-179.7-59.7-170.8174-147.3-3.1112.6Y33 F34 T40 P138 D139Y33-R36 PolarHBondContact O-N 3.14Å; F34-R36 PolarHBondContact O-N 2.96Å; R36-T40 VanDerWaalsContact O-CB 3.26Å; R36-T40 WeakPolarHBondContact O-CB 3.35Å; R36-T40 PolarHBondContact O-N 3.28Å; R36-T40 PolarHBondContact O-OG1 2.93Å; R36-P138 WeakPolarHBondContact CD-O 3.4Å; R36-P138 VanDerWaalsContact NH1-C 3.32Å; R36-P138 PolarHBondContact NH1-O 3.41Å; R36-D139 PolarHBondContact NH1-O 2.72Å
37R94.8Very high87.4Confident15 Ų1550.3 Ų50.36%0.05727%0.271CS..Hα-helixtrans-69.5-38176.1-65.4-175.2-171.3-179.68.5111.8L24 L25 G26 Y33 F34 T35 T40 A41 S113 A137L24-R37 HydrophobicContact CD1-CB 3.7Å; L25-R37 PolarHBondContact O-NH1 3.37Å; G26-R37 VanDerWaalsContact C-NH1 3.34Å; G26-R37 PolarHBondContact O-NH1 2.98Å; Y33-R37 WeakPolarHBondContact O-CG 3.09Å; Y33-R37 PolarHBondContact O-N 2.86Å; F34-R37 PolarHBondContact O-N 2.8Å; T35-R37 PolarHBondContact O-N 3.46Å; R37-T40 PolarHBondContact O-N 3.04Å; R37-A41 WeakPolarHBondContact O-CB 3.41Å; R37-A41 PolarHBondContact O-N 3.43Å; R37-S113 PolarHBondContact NE-OG 3.41Å; R37-S113 VanDerWaalsContact NE-OG 3.15Å; R37-S113 PolarHBondContact NH1-OG 3.23Å; R37-S113 VanDerWaalsContact NH1-OG 3.12Å; R37-S113 PolarHBondContact NH2-OG 3.31Å; R37-A137 HydrophobicContact CB-CB 4.47Å; R37-A137 HydrophobicContact CG-CB 3.93Å
38I95.2Very high88.5Confident4 Ų452.4 Ų52.42%0.02129%0.294CS..Hα-helixtrans-61.7-50.3174.1-64.7-66.1000111L24 F34 T35 T40 A41 A42 M70 A73 L74 K77L24-I38 HydrophobicContact CD2-CD1 3.8Å; F34-I38 HydrophobicContact CD1-CG1 4.2Å; F34-I38 HydrophobicContact CE1-CG1 3.89Å; F34-I38 HydrophobicContact CE2-CD1 4.39Å; F34-I38 HydrophobicContact CE2-CG1 4.31Å; F34-I38 HydrophobicContact CZ-CD1 4.15Å; F34-I38 HydrophobicContact CZ-CG1 3.97Å; F34-I38 WeakPolarHBondContact O-CG1 3.32Å; F34-I38 PolarHBondContact O-N 3.43Å; T35-I38 PolarHBondContact O-N 3.49Å; I38-T40 VanDerWaalsContact C-N 3.26Å; I38-T40 PolarHBondContact O-N 2.77Å; I38-A41 PolarHBondContact O-N 3.38Å; I38-A42 WeakPolarHBondContact O-CB 3.4Å; I38-A42 PolarHBondContact O-N 2.78Å; I38-M70 HydrophobicContact CD1-CB 3.94Å; I38-M70 HydrophobicContact CD1-CG 4.04Å; I38-A73 HydrophobicContact CD1-CB 3.94Å; I38-A73 HydrophobicContact CG1-CB 3.97Å; I38-A73 HydrophobicContact CG2-CB 3.91Å; I38-L74 HydrophobicContact CD1-CD2 4.48Å; I38-L74 HydrophobicContact CD1-CG 4.07Å; I38-L74 HydrophobicContact CG2-CD2 4.17Å; I38-L74 HydrophobicContact CG2-CG 4.4Å; I38-K77 HydrophobicContact CG2-CG 4.03Å
39D95.4Very high90Very high60 Ų6047.4 Ų47.432%0.32128%0.276SS..Hα-helixtrans-58.2-42178-69.8-26.5000111.2T35 A42 A43 K77T35-D39 WeakPolarHBondContact O-CB 3.31Å; T35-D39 PolarHBondContact O-N 3.33Å; D39-A42 PolarHBondContact O-N 3.04Å; D39-A43 WeakPolarHBondContact O-CB 3.46Å; D39-A43 PolarHBondContact O-N 2.89Å; D39-K77 WeakPolarHBondContact OD1-CE 3.44Å; D39-K77 IonicContact OD1-NZ 3.82Å; D39-K77 PolarHBondContact OD1-NZ 2.78Å
40T97.2Very high91.8Very high11 Ų1145.3 Ų45.37%0.06726%0.263CS..Hα-helixtrans-64.7-44.5178.2-60.80000112R36 R37 I38 A43 L44 I112 F135 A137R36-T40 VanDerWaalsContact O-CB 3.26Å; R36-T40 WeakPolarHBondContact O-CB 3.35Å; R36-T40 PolarHBondContact O-N 3.28Å; R36-T40 PolarHBondContact O-OG1 2.93Å; R37-T40 PolarHBondContact O-N 3.04Å; I38-T40 VanDerWaalsContact C-N 3.26Å; I38-T40 PolarHBondContact O-N 2.77Å; T40-A43 PolarHBondContact O-N 3.1Å; T40-L44 PolarHBondContact O-N 3.02Å; T40-L44 VanDerWaalsContact O-N 3.09Å; T40-I112 HydrophobicContact CG2-CG2 3.73Å; T40-F135 HydrophobicContact CG2-CD1 3.32Å; T40-F135 HydrophobicContact CG2-CE1 3.65Å; T40-A137 HydrophobicContact CG2-CB 4.18Å; T40-A137 VanDerWaalsContact OG1-CA 3.32Å; T40-A137 WeakPolarHBondContact OG1-CA 2.96Å; T40-A137 WeakPolarHBondContact OG1-CB 3.26Å
41A98Very high93.3Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-65.8-41.9177.400000112.1L24 R37 I38 L44 Y45 L53 L74 I112L24-A41 HydrophobicContact CD1-CB 4.34Å; L24-A41 HydrophobicContact CD2-CB 4.2Å; R37-A41 WeakPolarHBondContact O-CB 3.41Å; R37-A41 PolarHBondContact O-N 3.43Å; I38-A41 PolarHBondContact O-N 3.38Å; A41-L44 PolarHBondContact O-N 3.2Å; A41-Y45 PolarHBondContact O-N 3.43Å; A41-Y45 VanDerWaalsContact O-N 3.14Å; A41-L53 HydrophobicContact CB-CD1 4.3Å; A41-L53 HydrophobicContact CB-CD2 4.21Å; A41-L74 HydrophobicContact CB-CD2 3.86Å; A41-I112 HydrophobicContact CB-CD1 3.9Å; A41-I112 HydrophobicContact CB-CG2 4.21Å
42A98Very high94.5Very high4 Ų446 Ų463%0.03324%0.237CC..Hα-helixtrans-62.2-42.7173.800000111.7I38 D39 L44 Y45 H46 L74 K77 V79I38-A42 WeakPolarHBondContact O-CB 3.4Å; I38-A42 PolarHBondContact O-N 2.78Å; D39-A42 PolarHBondContact O-N 3.04Å; A42-L44 PolarHBondContact O-N 3.13Å; A42-Y45 PolarHBondContact O-N 3.27Å; A42-H46 WeakPolarHBondContact O-CB 3.41Å; A42-H46 PolarHBondContact O-CD2 2.86Å; A42-H46 PolarHBondContact O-N 2.97Å; A42-L74 HydrophobicContact CB-CD2 4.32Å; A42-K77 HydrophobicContact CB-CB 3.7Å; A42-K77 HydrophobicContact CB-CG 4.33Å; A42-V79 HydrophobicContact CB-CG2 3.96Å
43A97.8Very high95.6Very high46 Ų4639.3 Ų39.338%0.3821%0.212SC..Hα-helixtrans-61.5-42.7178.100000112.6D39 T40 Y45 H46 A47D39-A43 WeakPolarHBondContact O-CB 3.46Å; D39-A43 PolarHBondContact O-N 2.89Å; T40-A43 PolarHBondContact O-N 3.1Å; A43-Y45 VanDerWaalsContact C-N 3.35Å; A43-Y45 PolarHBondContact O-N 3.49Å; A43-H46 PolarHBondContact O-N 3.29Å; A43-A47 VanDerWaalsContact O-CB 3.24Å; A43-A47 WeakPolarHBondContact O-CB 3.37Å; A43-A47 PolarHBondContact O-N 3.24Å
44L98.3Very high96.2Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-63.3-40.4175.6-75170.9000112.6V13 V16 T40 A41 A42 G48 K49 V50 T110 I112 F135V13-L44 HydrophobicContact CG2-CD2 4.22Å; V16-L44 HydrophobicContact CG1-CD2 3.78Å; T40-L44 PolarHBondContact O-N 3.02Å; T40-L44 VanDerWaalsContact O-N 3.09Å; A41-L44 PolarHBondContact O-N 3.2Å; A42-L44 PolarHBondContact O-N 3.13Å; L44-G48 PolarHBondContact O-N 2.77Å; L44-K49 HydrophobicContact CB-CB 4.47Å; L44-K49 HydrophobicContact CD2-CB 3.81Å; L44-K49 HydrophobicContact CD2-CG 4.3Å; L44-K49 PolarHBondContact O-N 2.88Å; L44-V50 HydrophobicContact CB-CG2 3.97Å; L44-V50 PolarHBondContact O-N 2.93Å; L44-T110 HydrophobicContact CD1-CG2 4.18Å; L44-I112 HydrophobicContact CD1-CD1 3.69Å; L44-I112 HydrophobicContact CD1-CG1 3.63Å; L44-F135 HydrophobicContact CD1-CB 3.8Å; L44-F135 HydrophobicContact CD1-CD1 3.74Å; L44-F135 HydrophobicContact CD1-CG 3.82Å; L44-F135 HydrophobicContact CD2-CB 4.48Å; L44-F135 HydrophobicContact CD2-CD1 3.96Å; L44-F135 HydrophobicContact CD2-CD2 3.91Å; L44-F135 HydrophobicContact CD2-CE1 4.12Å; L44-F135 HydrophobicContact CD2-CE2 4.08Å; L44-F135 HydrophobicContact CD2-CG 3.84Å; L44-F135 HydrophobicContact CD2-CZ 4.19Å; L44-F135 HydrophobicContact CG-CD1 3.9Å; L44-F135 HydrophobicContact CG-CE1 4.19Å; L44-F135 HydrophobicContact CG-CG 4.16Å
45Y98.3Very high96.5Very high53 Ų5336.8 Ų36.821%0.20820%0.201CC..Hα-helixtrans-63.9-51.7176.6171.9-99.1000111A41 A42 A43 A47 G48 V79 P80 V83A41-Y45 PolarHBondContact O-N 3.43Å; A41-Y45 VanDerWaalsContact O-N 3.14Å; A42-Y45 PolarHBondContact O-N 3.27Å; A43-Y45 VanDerWaalsContact C-N 3.35Å; A43-Y45 PolarHBondContact O-N 3.49Å; Y45-A47 VanDerWaalsContact C-N 3.25Å; Y45-A47 PolarHBondContact O-N 2.99Å; Y45-G48 PolarHBondContact O-N 3.37Å; Y45-V79 HydrophobicContact CD1-CB 4.29Å; Y45-V79 HydrophobicContact CD1-CG1 3.98Å; Y45-V79 HydrophobicContact CD1-CG2 3.88Å; Y45-V79 HydrophobicContact CD2-CG1 4.45Å; Y45-V79 HydrophobicContact CE1-CG1 4.18Å; Y45-V79 HydrophobicContact CG-CG1 4.11Å; Y45-V79 HydrophobicContact CG-CG2 4.34Å; Y45-P80 VanDerWaalsContact OH-CD 3.28Å; Y45-P80 WeakPolarHBondContact OH-CD 2.83Å; Y45-V83 HydrophobicContact CD2-CG2 4.13Å; Y45-V83 HydrophobicContact CE2-CB 4.16Å; Y45-V83 HydrophobicContact CE2-CG1 4.18Å; Y45-V83 HydrophobicContact CE2-CG2 3.57Å
46H98.1Very high96.6Very high109 Ų10933 Ų3351%0.50518%0.178SC..Hα-helixtrans-63.6-30.5-179.4-69.9-49000113A42 A43 G48 K77 G78A42-H46 WeakPolarHBondContact O-CB 3.41Å; A42-H46 PolarHBondContact O-CD2 2.86Å; A42-H46 PolarHBondContact O-N 2.97Å; A43-H46 PolarHBondContact O-N 3.29Å; H46-G48 PolarHBondContact O-N 3.46Å; H46-K77 PolarHBondContact NE2-O 3.43Å; H46-G78 PolarHBondContact CE1-O 3.16Å
47A97.9Very high96.3Very high51 Ų5129.3 Ų29.342%0.42116%0.164SC..THydrogen-bonded Turntrans-79.31.1173.500000114.1V13 A43 Y45 K49V13-A47 HydrophobicContact CG2-CB 3.5Å; V13-A47 VanDerWaalsContact CG2-CB 3.5Å; A43-A47 VanDerWaalsContact O-CB 3.24Å; A43-A47 WeakPolarHBondContact O-CB 3.37Å; A43-A47 PolarHBondContact O-N 3.24Å; Y45-A47 VanDerWaalsContact C-N 3.25Å; Y45-A47 PolarHBondContact O-N 2.99Å; A47-K49 HydrophobicContact CB-CG 4.1Å; A47-K49 PolarHBondContact O-N 2.9Å
48G97.5Very high95.4Very high53 Ų5331 Ų3155%0.54618%0.175SC..THydrogen-bonded Turntrans67.515.6-178.500000114.2L44 Y45 H46 V50L44-G48 PolarHBondContact O-N 2.77Å; Y45-G48 PolarHBondContact O-N 3.37Å; H46-G48 PolarHBondContact O-N 3.46Å; G48-V50 VanDerWaalsContact C-N 3.34Å
49K97.9Very high94.2Very high44 Ų4433 Ų3319%0.19119%0.185CC..SBendtrans-78.6-21.7178.6-64.5-58.1-162.6170.80112.7V13 N14 V16 A18 R19 L44 A47V13-K49 HydrophobicContact CG2-CG 4.37Å; V13-K49 WeakPolarHBondContact O-CE 3.46Å; N14-K49 PolarHBondContact O-NZ 3.43Å; V16-K49 HydrophobicContact CG1-CB 4.15Å; V16-K49 HydrophobicContact CG1-CD 4.02Å; V16-K49 HydrophobicContact CG1-CG 3.78Å; V16-K49 VanDerWaalsContact O-CE 3.29Å; V16-K49 WeakPolarHBondContact O-CE 3.37Å; V16-K49 PolarHBondContact O-NZ 3.03Å; A18-K49 WeakPolarHBondContact CA-O 3.32Å; R19-K49 PolarHBondContact N-O 2.9Å; R19-K49 VanDerWaalsContact O-O 3.07Å; L44-K49 HydrophobicContact CB-CB 4.47Å; L44-K49 HydrophobicContact CD2-CB 3.81Å; L44-K49 HydrophobicContact CD2-CG 4.3Å; L44-K49 PolarHBondContact O-N 2.88Å; A47-K49 HydrophobicContact CB-CG 4.1Å; A47-K49 PolarHBondContact O-N 2.9Å
50V97.9Very high92.3Very high2 Ų232.9 Ų32.91%0.01220%0.198CC..  trans-134.1143.6167.9-60.20000110.1R19 L44 G48 L53R19-V50 VanDerWaalsContact O-CA 3.32Å; R19-V50 WeakPolarHBondContact O-CA 3.29Å; L44-V50 HydrophobicContact CB-CG2 3.97Å; L44-V50 PolarHBondContact O-N 2.93Å; G48-V50 VanDerWaalsContact C-N 3.34Å; V50-L53 HydrophobicContact CG2-CD2 3.8Å
51K96.5Very high90.3Very high120 Ų12040.4 Ų40.452%0.52223%0.225SC..SBendtrans-92.4-34.7177.9-66.2177.7-176.3166.40112N20N20-K51 PolarHBondContact O-N 2.91Å; N20-K51 PolarHBondContact OD1-NZ 3.42Å
52W97.2Very high88Confident44 Ų4450.8 Ų50.817%0.16727%0.27CS..EExtended strand (participates in β ladder)trans-130.8152.7179.2-57-80.7000110.8N20 V21 G22 V83 F85 I179N20-W52 HydrophobicContact CB-CE3 4.02Å; N20-W52 HydrophobicContact CB-CZ3 3.85Å; N20-W52 PolarHBondContact O-N 3.28Å; V21-W52 WeakPolarHBondContact CA-O 3.32Å; V21-W52 HydrophobicContact CG2-CB 4.32Å; V21-W52 HydrophobicContact CG2-CE3 4.34Å; G22-W52 PolarHBondContact N-O 3.35Å; W52-V83 WeakPolarHBondContact CA-O 3.11Å; W52-F85 HydrophobicContact CB-CD2 4.41Å; W52-F85 HydrophobicContact CB-CE2 4.33Å; W52-F85 AromaticContact CD1-CE2 3.72Å; W52-F85 HydrophobicContact CG-CE2 4.2Å; W52-I179 HydrophobicContact CB-CG2 3.51Å; W52-I179 HydrophobicContact CD2-CG2 3.66Å; W52-I179 HydrophobicContact CE3-CG2 3.96Å; W52-I179 HydrophobicContact CG-CG2 3.44Å; W52-I179 VanDerWaalsContact CG-CG2 3.44Å
53L97.5Very high85.8Confident0 Ų058.1 Ų58.10%031%0.309CS..EExtended strand (participates in β ladder)trans-114.2125174.5-68.9175.1000109.4G22 A41 V50 L74 V79 V83 I84 F85 I112G22-L53 WeakPolarHBondContact O-CA 3.34Å; A41-L53 HydrophobicContact CB-CD1 4.3Å; A41-L53 HydrophobicContact CB-CD2 4.21Å; V50-L53 HydrophobicContact CG2-CD2 3.8Å; L53-L74 HydrophobicContact CD1-CD1 3.77Å; L53-L74 HydrophobicContact CD1-CD2 3.82Å; L53-L74 HydrophobicContact CD1-CG 4.38Å; L53-V79 HydrophobicContact CD1-CG1 4.05Å; L53-V83 PolarHBondContact N-O 3.4Å; L53-I84 CarbonylContact O-C 3.49Å; L53-I84 WeakPolarHBondContact O-CA 3.44Å; L53-F85 PolarHBondContact O-N 3.08Å; L53-I112 HydrophobicContact CD2-CD1 3.99Å
54L96.3Very high83.8Confident0 Ų058.4 Ų58.40%030%0.3CS..EExtended strand (participates in β ladder)trans-99110.1167.8177.658.2000108V21 G22 L23 L24 F85 D87 A100 F104 I179V21-L54 HydrophobicContact CG1-CB 3.78Å; G22-L54 PolarHBondContact O-N 2.87Å; L23-L54 CarbonylContact C-O 3.51Å; L23-L54 WeakPolarHBondContact CA-O 3.42Å; L23-L54 HydrophobicContact CD1-CB 4.3Å; L23-L54 HydrophobicContact CD1-CD2 3.93Å; L23-L54 HydrophobicContact CD1-CG 3.89Å; L24-L54 PolarHBondContact N-O 3.28Å; L54-F85 CarbonylContact C-O 3.54Å; L54-F85 WeakPolarHBondContact CA-O 3.36Å; L54-F85 HydrophobicContact CD1-CB 4.07Å; L54-D87 HydrophobicContact CD1-CB 3.99Å; L54-A100 HydrophobicContact CD2-CB 3.86Å; L54-F104 HydrophobicContact CD1-CD1 3.72Å; L54-F104 HydrophobicContact CD1-CD2 3.91Å; L54-F104 HydrophobicContact CD1-CE1 3.6Å; L54-F104 HydrophobicContact CD1-CE2 3.82Å; L54-F104 HydrophobicContact CD1-CG 3.88Å; L54-F104 HydrophobicContact CD1-CZ 3.65Å; L54-F104 HydrophobicContact CD2-CB 4.04Å; L54-F104 HydrophobicContact CD2-CD1 4.41Å; L54-F104 HydrophobicContact CD2-CD2 3.64Å; L54-F104 HydrophobicContact CD2-CE2 4.23Å; L54-F104 HydrophobicContact CD2-CG 3.76Å; L54-F104 HydrophobicContact CG-CD2 4.43Å; L54-F104 HydrophobicContact CG-CG 4.5Å; L54-I179 HydrophobicContact CB-CD1 4.3Å
55V94.4Very high82.7Confident0 Ų060.1 Ų60.10%031%0.31CS..EExtended strand (participates in β ladder)trans-96.8110.6179.6-54.90000109.1L24 A67 M70 L74 I84 F85 C86 D87L24-V55 HydrophobicContact CB-CG1 4.2Å; L24-V55 HydrophobicContact CD2-CG1 3.97Å; V55-A67 HydrophobicContact CG2-CB 4.29Å; V55-M70 HydrophobicContact CB-CB 4.13Å; V55-M70 HydrophobicContact CB-CE 3.92Å; V55-M70 HydrophobicContact CB-SD 4.49Å; V55-M70 HydrophobicContact CG1-CB 4.33Å; V55-M70 HydrophobicContact CG2-CB 4.44Å; V55-L74 HydrophobicContact CG1-CD1 3.56Å; V55-I84 HydrophobicContact CG1-CG2 3.82Å; V55-I84 HydrophobicContact CG2-CG2 4.02Å; V55-F85 PolarHBondContact N-O 3.21Å; V55-C86 HydrophobicContact CG2-CB 4.27Å; V55-C86 WeakPolarHBondContact CG2-SG 3.45Å; V55-D87 PolarHBondContact O-N 3.13Å
56S92.8Very high81.8Confident0 Ų058.5 Ų58.50%030%0.304CS..EExtended strand (participates in β ladder)trans-111.3118.8-174.5-176.80000110.9L24 G26 D87 G90 S96L24-S56 PolarHBondContact O-N 3.28Å; G26-S56 WeakPolarHBondContact CA-O 3.34Å; G26-S56 PolarHBondContact N-O 3.15Å; S56-D87 WeakPolarHBondContact CA-O 3.47Å; S56-D87 WeakPolarHBondContact CB-OD2 3.25Å; S56-D87 PolarHBondContact OG-OD2 3.01Å; S56-G90 WeakPolarHBondContact OG-CA 3.47Å; S56-S96 WeakPolarHBondContact OG-CA 3.33Å; S56-S96 WeakPolarHBondContact OG-CB 3.45Å; S56-S96 PolarHBondContact OG-OG 2.87Å
57G84.3Confident81.3Confident0 Ų053.3 Ų53.30%028%0.28CS..  trans-149169.1-176.400000112.7E66 D87 Y88 G90G57-E66 WeakPolarHBondContact CA-OE2 3.35Å; G57-D87 PolarHBondContact N-O 3.34Å; G57-Y88 CarbonylContact O-C 3.58Å; G57-Y88 VanDerWaalsContact O-C 3.27Å; G57-G90 PolarHBondContact O-N 3.41Å
58D77.4Confident80.7Confident51 Ų5151.9 Ų51.927%0.27327%0.267SS..BIsolated β-bridgetrans-82.7128.9178.6-176.110.4000110.7G60 E66 F91D58-G60 WeakPolarHBondContact OD1-CA 3.24Å; D58-G60 PolarHBondContact OD1-N 3.11Å; D58-E66 PolarHBondContact N-OE2 2.94Å; D58-E66 WeakPolarHBondContact O-CB 3.36Å; D58-F91 WeakPolarHBondContact OD1-CD1 3.29Å; D58-F91 WeakPolarHBondContact OD1-CE1 3.5Å
59N69Low80.2Confident46 Ų4650.3 Ų50.325%0.24625%0.251CS..  trans-112.819171.2-167.836.1000112.4R61 Y88 Q190N59-R61 PolarHBondContact O-N 3.2Å; N59-R61 VanDerWaalsContact O-N 3.16Å; N59-Y88 HydrophobicContact CB-CD1 4.26Å; N59-Y88 HydrophobicContact CB-CG 4.47Å; N59-Y88 WeakPolarHBondContact CB-O 3.13Å; N59-Y88 PolarHBondContact N-O 2.85Å; N59-Q190 PolarHBondContact ND2-NE2 3.18Å; N59-Q190 PolarHBondContact OD1-NE2 3.46Å
60G55Low79.9Confident57 Ų5748.4 Ų48.459%0.58824%0.243SC*.  trans-72.1-3.2-173.400000115.2D58D58-G60 WeakPolarHBondContact OD1-CA 3.24Å; D58-G60 PolarHBondContact OD1-N 3.11Å
61R56.7Low79.6Confident169 Ų16949.4 Ų49.464%0.63825%0.247SC*.BIsolated β-bridgetrans-123.7129.6176.7-59.7-175.7-173.1-159.9-0.3109.6N59 N63 Y64N59-R61 PolarHBondContact O-N 3.2Å; N59-R61 VanDerWaalsContact O-N 3.16Å; R61-N63 PolarHBondContact O-N 2.81Å; R61-Y64 PolarHBondContact O-N 3.14Å
62K49.5Very low79.4Confident217 Ų21749.9 Ų49.994%0.94325%0.251SS*.THydrogen-bonded Turntrans-49.1-25.3-178.4-79.7-175170.4-176.50115.4
63N52.3Low79.2Confident159 Ų15948.9 Ų48.985%0.8525%0.253SS*.THydrogen-bonded Turntrans-109.920.6-176.2-612.3000112.4R61R61-N63 PolarHBondContact O-N 2.81Å
64Y55.6Low79.1Confident51 Ų5148.9 Ų48.920%0.225%0.253CS..BIsolated β-bridgetrans-150.790.6-173.1-161.8-98.6000112.4R28 P29 R61 E66R28-Y64 VanDerWaalsContact C-OH 3.3Å; R28-Y64 WeakPolarHBondContact CA-OH 3.43Å; R28-Y64 WeakPolarHBondContact CB-OH 3.49Å; R28-Y64 HydrophobicContact CG-CE2 4.37Å; R28-Y64 WeakPolarHBondContact CG-OH 3.03Å; P29-Y64 HydrophobicContact CB-CE2 4.36Å; P29-Y64 WeakPolarHBondContact CD-OH 3.5Å; P29-Y64 HydrophobicContact CG-CE2 3.91Å; P29-Y64 VanDerWaalsContact CG-OH 3.25Å; P29-Y64 WeakPolarHBondContact CG-OH 3.37Å; R61-Y64 PolarHBondContact O-N 3.14Å; Y64-E66 HydrophobicContact CD1-CB 4.25Å; Y64-E66 HydrophobicContact CE1-CB 3.72Å; Y64-E66 HydrophobicContact CE1-CG 4.17Å
65D75.2Confident79.1Confident37 Ų3752.3 Ų52.320%0.19827%0.27CS..  trans-98.190.2169.1-173.4-14.7000109.3A67 S68 G69 Y88 Q190D65-A67 VanDerWaalsContact C-N 3.26Å; D65-A67 PolarHBondContact O-N 2.85Å; D65-A67 PolarHBondContact OD1-N 3.37Å; D65-S68 PolarHBondContact OD1-N 3.19Å; D65-S68 WeakPolarHBondContact OD2-CB 3.17Å; D65-S68 PolarHBondContact OD2-OG 2.74Å; D65-G69 PolarHBondContact O-N 3.5Å; D65-G69 VanDerWaalsContact O-N 3.07Å; D65-Y88 WeakPolarHBondContact OD1-CD1 3.3Å; D65-Y88 WeakPolarHBondContact OD1-CE1 3.48Å; D65-Y88 VanDerWaalsContact OD2-CE1 3.26Å; D65-Y88 WeakPolarHBondContact OD2-CE1 3.36Å; D65-Q190 PolarHBondContact OD2-NE2 2.65Å
66E78.9Confident79.1Confident18 Ų1856.4 Ų56.48%0.08430%0.304CS..Hα-helixtrans-60.5-38.3180-169.6173.9-163.600112.1G26 A27 R28 G57 D58 Y64 G69 M70G26-E66 WeakPolarHBondContact CA-OE1 3.37Å; A27-E66 WeakPolarHBondContact CA-OE1 3.32Å; A27-E66 PolarHBondContact N-OE1 3.31Å; R28-E66 PolarHBondContact N-OE1 2.93Å; G57-E66 WeakPolarHBondContact CA-OE2 3.35Å; D58-E66 PolarHBondContact N-OE2 2.94Å; D58-E66 WeakPolarHBondContact O-CB 3.36Å; Y64-E66 HydrophobicContact CD1-CB 4.25Å; Y64-E66 HydrophobicContact CE1-CB 3.72Å; Y64-E66 HydrophobicContact CE1-CG 4.17Å; E66-G69 PolarHBondContact O-N 3.01Å; E66-M70 HydrophobicContact CG-CE 4.23Å; E66-M70 WeakPolarHBondContact O-CG 3.47Å; E66-M70 PolarHBondContact O-N 3.06Å
67A86.8Confident79.3Confident0 Ų061 Ų610%032%0.324CS..Hα-helixtrans-70.7-44.8-17600000111.2V55 D65 G69 M70 Q71 C86 Y88V55-A67 HydrophobicContact CG2-CB 4.29Å; D65-A67 VanDerWaalsContact C-N 3.26Å; D65-A67 PolarHBondContact O-N 2.85Å; D65-A67 PolarHBondContact OD1-N 3.37Å; A67-G69 VanDerWaalsContact C-N 3.33Å; A67-G69 PolarHBondContact O-N 2.99Å; A67-M70 PolarHBondContact O-N 2.82Å; A67-Q71 PolarHBondContact O-N 3.46Å; A67-C86 HydrophobicContact CB-CB 4.05Å; A67-Y88 HydrophobicContact CB-CD1 3.55Å; A67-Y88 HydrophobicContact CB-CE1 3.65Å; A67-Y88 HydrophobicContact CB-CG 4.5Å
68S85.2Confident79.9Confident22 Ų2263.4 Ų63.415%0.15435%0.348CS..Hα-helixtrans-63-38.7172.7-70.20000112.2D65 M70 Q71 Q72 Y88D65-S68 PolarHBondContact OD1-N 3.19Å; D65-S68 WeakPolarHBondContact OD2-CB 3.17Å; D65-S68 PolarHBondContact OD2-OG 2.74Å; S68-M70 PolarHBondContact O-N 2.83Å; S68-Q71 WeakPolarHBondContact O-CB 3.38Å; S68-Q71 PolarHBondContact O-N 3.32Å; S68-Q72 WeakPolarHBondContact O-CG 3.19Å; S68-Q72 PolarHBondContact O-N 3.23Å; S68-Y88 PolarHBondContact OG-OH 3.34Å
69G87.5Confident80.9Confident20 Ų2061 Ų6121%0.20634%0.336CS..Hα-helixtrans-61.6-41.8174.400000112.7D65 E66 A67 A73D65-G69 PolarHBondContact O-N 3.5Å; D65-G69 VanDerWaalsContact O-N 3.07Å; E66-G69 PolarHBondContact O-N 3.01Å; A67-G69 VanDerWaalsContact C-N 3.33Å; A67-G69 PolarHBondContact O-N 2.99Å; G69-A73 WeakPolarHBondContact O-CB 3.46Å; G69-A73 PolarHBondContact O-N 3.23Å; G69-A73 VanDerWaalsContact O-N 3.08Å
70M91.7Very high82.1Confident3 Ų361 Ų612%0.01534%0.338CS..Hα-helixtrans-64.8-42.1173.2-70.9-171.1-71.200112L24 F34 I38 V55 E66 A67 S68 A73 L74L24-M70 HydrophobicContact CD2-CB 4.24Å; L24-M70 HydrophobicContact CD2-CG 4.29Å; L24-M70 HydrophobicContact CD2-SD 3.7Å; L24-M70 HydrophobicContact CG-SD 3.79Å; F34-M70 HydrophobicContact CD2-CG 4.48Å; F34-M70 HydrophobicContact CE2-CG 3.62Å; F34-M70 HydrophobicContact CZ-CG 4.29Å; I38-M70 HydrophobicContact CD1-CB 3.94Å; I38-M70 HydrophobicContact CD1-CG 4.04Å; V55-M70 HydrophobicContact CB-CB 4.13Å; V55-M70 HydrophobicContact CB-CE 3.92Å; V55-M70 HydrophobicContact CB-SD 4.49Å; V55-M70 HydrophobicContact CG1-CB 4.33Å; V55-M70 HydrophobicContact CG2-CB 4.44Å; E66-M70 HydrophobicContact CG-CE 4.23Å; E66-M70 WeakPolarHBondContact O-CG 3.47Å; E66-M70 PolarHBondContact O-N 3.06Å; A67-M70 PolarHBondContact O-N 2.82Å; S68-M70 PolarHBondContact O-N 2.83Å; M70-A73 PolarHBondContact O-N 2.93Å; M70-L74 WeakPolarHBondContact O-CB 3.17Å; M70-L74 VanDerWaalsContact O-CG 3.32Å; M70-L74 WeakPolarHBondContact O-CG 3.44Å; M70-L74 PolarHBondContact O-N 2.96Å
71Q92.3Very high84Confident23 Ų2360.3 Ų60.311%0.10733%0.327CS..Hα-helixtrans-58.9-51.2176.9-171.7-158.829.300111.2A67 S68 A73 L74 I75 I84 C187A67-Q71 PolarHBondContact O-N 3.46Å; S68-Q71 WeakPolarHBondContact O-CB 3.38Å; S68-Q71 PolarHBondContact O-N 3.32Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 2.66Å; Q71-L74 PolarHBondContact O-N 3.33Å; Q71-I75 HydrophobicContact CG-CD1 3.97Å; Q71-I75 WeakPolarHBondContact O-CG1 3.47Å; Q71-I75 PolarHBondContact O-N 3.12Å; Q71-I84 HydrophobicContact CB-CG2 4.22Å; Q71-I84 HydrophobicContact CG-CB 4.2Å; Q71-I84 HydrophobicContact CG-CD1 4.04Å; Q71-I84 HydrophobicContact CG-CG2 3.84Å; Q71-C187 VanDerWaalsContact CD-CB 3.5Å; Q71-C187 HydrophobicContact CG-CB 4.44Å; Q71-C187 VanDerWaalsContact CG-SG 3.58Å; Q71-C187 PolarHBondContact NE2-SG 3.44Å
72Q91.4Very high85.7Confident131 Ų13158.9 Ų58.961%0.61233%0.326SS*.Hα-helixtrans-59.7-42.4178.7-71.1175.4600111.7S68 L74 I75 A76S68-Q72 WeakPolarHBondContact O-CG 3.19Å; S68-Q72 PolarHBondContact O-N 3.23Å; Q72-L74 VanDerWaalsContact C-N 3.35Å; Q72-L74 PolarHBondContact O-N 3.49Å; Q72-I75 PolarHBondContact O-N 3.17Å; Q72-A76 PolarHBondContact O-N 2.91Å
73A92.8Very high87.8Confident23 Ų2349.2 Ų49.219%0.1929%0.285CS..Hα-helixtrans-66.3-35.2178.300000112.6F34 I38 G69 M70 Q71 K77F34-A73 HydrophobicContact CE1-CB 3.89Å; F34-A73 HydrophobicContact CZ-CB 3.93Å; I38-A73 HydrophobicContact CD1-CB 3.94Å; I38-A73 HydrophobicContact CG1-CB 3.97Å; I38-A73 HydrophobicContact CG2-CB 3.91Å; G69-A73 WeakPolarHBondContact O-CB 3.46Å; G69-A73 PolarHBondContact O-N 3.23Å; G69-A73 VanDerWaalsContact O-N 3.08Å; M70-A73 PolarHBondContact O-N 2.93Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 2.66Å; A73-K77 WeakPolarHBondContact O-CG 3.48Å; A73-K77 PolarHBondContact O-N 3.49Å
74L95.7Very high89.9Confident0 Ų041.7 Ų41.70%024%0.244CC..Hα-helixtrans-69.5-40.8173.1-74.9167.1000112.3L24 I38 A41 A42 L53 V55 M70 Q71 Q72 A76 K77 G78 V79 I84L24-L74 HydrophobicContact CD2-CD1 4.16Å; I38-L74 HydrophobicContact CD1-CD2 4.48Å; I38-L74 HydrophobicContact CD1-CG 4.07Å; I38-L74 HydrophobicContact CG2-CD2 4.17Å; I38-L74 HydrophobicContact CG2-CG 4.4Å; A41-L74 HydrophobicContact CB-CD2 3.86Å; A42-L74 HydrophobicContact CB-CD2 4.32Å; L53-L74 HydrophobicContact CD1-CD1 3.77Å; L53-L74 HydrophobicContact CD1-CD2 3.82Å; L53-L74 HydrophobicContact CD1-CG 4.38Å; V55-L74 HydrophobicContact CG1-CD1 3.56Å; M70-L74 WeakPolarHBondContact O-CB 3.17Å; M70-L74 VanDerWaalsContact O-CG 3.32Å; M70-L74 WeakPolarHBondContact O-CG 3.44Å; M70-L74 PolarHBondContact O-N 2.96Å; Q71-L74 PolarHBondContact O-N 3.33Å; Q72-L74 VanDerWaalsContact C-N 3.35Å; Q72-L74 PolarHBondContact O-N 3.49Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 3.01Å; L74-K77 CarbonylContact O-C 3.59Å; L74-K77 WeakPolarHBondContact O-CA 3.27Å; L74-K77 WeakPolarHBondContact O-CB 3.46Å; L74-K77 PolarHBondContact O-N 3.06Å; L74-G78 PolarHBondContact O-N 2.92Å; L74-V79 HydrophobicContact CB-CB 4.17Å; L74-V79 HydrophobicContact CB-CG2 4.34Å; L74-V79 HydrophobicContact CD2-CG2 4.24Å; L74-V79 WeakPolarHBondContact O-CB 3.47Å; L74-V79 PolarHBondContact O-N 3.22Å; L74-V79 VanDerWaalsContact O-N 3.09Å; L74-I84 HydrophobicContact CB-CD1 3.68Å; L74-I84 HydrophobicContact CD1-CD1 4.19Å; L74-I84 HydrophobicContact CD1-CG1 4.48Å; L74-I84 HydrophobicContact CD1-CG2 4.33Å
75I95.7Very high91.7Very high72 Ų7239.4 Ų39.437%0.36924%0.236SC..Hα-helixtrans-59.7-43.4174.3-68.8165.7000110.3Q71 Q72 K77 G78 V79 A81 I84Q71-I75 HydrophobicContact CG-CD1 3.97Å; Q71-I75 WeakPolarHBondContact O-CG1 3.47Å; Q71-I75 PolarHBondContact O-N 3.12Å; Q72-I75 PolarHBondContact O-N 3.17Å; I75-K77 PolarHBondContact O-N 3.39Å; I75-K77 VanDerWaalsContact O-N 3.12Å; I75-G78 PolarHBondContact O-N 2.58Å; I75-V79 WeakPolarHBondContact CA-O 3.23Å; I75-A81 HydrophobicContact CD1-CB 3.71Å; I75-A81 HydrophobicContact CG1-CB 4.16Å; I75-I84 HydrophobicContact CG1-CD1 3.98Å
76A95.9Very high92.4Very high86 Ų8638.4 Ų38.471%0.71123%0.231SC*.THydrogen-bonded Turntrans-62.1-18.2174.600000113.5Q72 L74Q72-A76 PolarHBondContact O-N 2.91Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 3.01Å
77K96.8Very high93.1Very high96 Ų9637.5 Ų37.542%0.41723%0.227SC..THydrogen-bonded Turntrans-94.811.7173.7-63.9-75.4169.8164.30113.2I38 D39 A42 H46 A73 L74 I75I38-K77 HydrophobicContact CG2-CG 4.03Å; D39-K77 WeakPolarHBondContact OD1-CE 3.44Å; D39-K77 IonicContact OD1-NZ 3.82Å; D39-K77 PolarHBondContact OD1-NZ 2.78Å; A42-K77 HydrophobicContact CB-CB 3.7Å; A42-K77 HydrophobicContact CB-CG 4.33Å; H46-K77 PolarHBondContact NE2-O 3.43Å; A73-K77 WeakPolarHBondContact O-CG 3.48Å; A73-K77 PolarHBondContact O-N 3.49Å; L74-K77 CarbonylContact O-C 3.59Å; L74-K77 WeakPolarHBondContact O-CA 3.27Å; L74-K77 WeakPolarHBondContact O-CB 3.46Å; L74-K77 PolarHBondContact O-N 3.06Å; I75-K77 PolarHBondContact O-N 3.39Å; I75-K77 VanDerWaalsContact O-N 3.12Å
78G97.3Very high93Very high50 Ų5039.6 Ų39.652%0.51524%0.235SC..THydrogen-bonded Turntrans81.212.617800000114.5H46 L74 I75 P80H46-G78 PolarHBondContact CE1-O 3.16Å; L74-G78 PolarHBondContact O-N 2.92Å; I75-G78 PolarHBondContact O-N 2.58Å; G78-P80 WeakPolarHBondContact O-CD 3.29Å
79V97.3Very high93.1Very high1 Ų139 Ų391%0.00623%0.232CC..  trans-80.9120.9172.6-176.30000108.9A42 Y45 L53 L74 I75 A81 V83 I84A42-V79 HydrophobicContact CB-CG2 3.96Å; Y45-V79 HydrophobicContact CD1-CB 4.29Å; Y45-V79 HydrophobicContact CD1-CG1 3.98Å; Y45-V79 HydrophobicContact CD1-CG2 3.88Å; Y45-V79 HydrophobicContact CD2-CG1 4.45Å; Y45-V79 HydrophobicContact CE1-CG1 4.18Å; Y45-V79 HydrophobicContact CG-CG1 4.11Å; Y45-V79 HydrophobicContact CG-CG2 4.34Å; L53-V79 HydrophobicContact CD1-CG1 4.05Å; L74-V79 HydrophobicContact CB-CB 4.17Å; L74-V79 HydrophobicContact CB-CG2 4.34Å; L74-V79 HydrophobicContact CD2-CG2 4.24Å; L74-V79 WeakPolarHBondContact O-CB 3.47Å; L74-V79 PolarHBondContact O-N 3.22Å; L74-V79 VanDerWaalsContact O-N 3.09Å; I75-V79 WeakPolarHBondContact CA-O 3.23Å; V79-A81 PolarHBondContact O-N 3.14Å; V79-V83 HydrophobicContact CG1-CG2 3.52Å; V79-I84 HydrophobicContact CB-CD1 4.31Å; V79-I84 HydrophobicContact CG1-CD1 3.93Å; V79-I84 HydrophobicContact CG1-CG1 3.87Å
80P95.3Very high92.8Very high45 Ų4538.6 Ų38.629%0.29223%0.227SC..  trans-59.9135.2179.5-24.534.9000112.3Y45 G78 K82 V83Y45-P80 VanDerWaalsContact OH-CD 3.28Å; Y45-P80 WeakPolarHBondContact OH-CD 2.83Å; G78-P80 WeakPolarHBondContact O-CD 3.29Å; P80-K82 HydrophobicContact CB-CG 3.99Å; P80-K82 PolarHBondContact O-N 2.67Å; P80-V83 HydrophobicContact CB-CG2 4.46Å; P80-V83 WeakPolarHBondContact O-CG2 3.29Å; P80-V83 PolarHBondContact O-N 2.82Å
81A93.2Very high92.4Very high44 Ų4441.7 Ų41.736%0.36424%0.241SC..G310 helixtrans-53.2-33.7178.400000113I75 V79 V83 I84I75-A81 HydrophobicContact CD1-CB 3.71Å; I75-A81 HydrophobicContact CG1-CB 4.16Å; V79-A81 PolarHBondContact O-N 3.14Å; A81-V83 PolarHBondContact O-N 2.98Å; A81-V83 VanDerWaalsContact O-N 3.17Å; A81-I84 PolarHBondContact O-N 2.85Å; A81-I84 VanDerWaalsContact O-N 3.13Å
82K92.8Very high92.1Very high139 Ų13942.7 Ų42.760%0.60425%0.25SS*.G310 helixtrans-65.2-13.2-179.570.7177-178.5179.70115.3P80 H185P80-K82 HydrophobicContact CB-CG 3.99Å; P80-K82 PolarHBondContact O-N 2.67Å; K82-H185 HydrophobicContact CB-CB 4.09Å; K82-H185 WeakPolarHBondContact O-CB 3.41Å; K82-H185 PolarHBondContact O-ND1 3.47Å
83V94.7Very high91.9Very high14 Ų1437.5 Ų37.59%0.08523%0.228CC..G310 helixtrans-104.22.5177.4-57.60000112.8Y45 W52 L53 V79 P80 A81Y45-V83 HydrophobicContact CD2-CG2 4.13Å; Y45-V83 HydrophobicContact CE2-CB 4.16Å; Y45-V83 HydrophobicContact CE2-CG1 4.18Å; Y45-V83 HydrophobicContact CE2-CG2 3.57Å; W52-V83 WeakPolarHBondContact CA-O 3.11Å; L53-V83 PolarHBondContact N-O 3.4Å; V79-V83 HydrophobicContact CG1-CG2 3.52Å; P80-V83 HydrophobicContact CB-CG2 4.46Å; P80-V83 WeakPolarHBondContact O-CG2 3.29Å; P80-V83 PolarHBondContact O-N 2.82Å; A81-V83 PolarHBondContact O-N 2.98Å; A81-V83 VanDerWaalsContact O-N 3.17Å
84I95Very high91.8Very high0 Ų036.7 Ų36.70%022%0.22CC..EExtended strand (participates in β ladder)trans-107.9123.8-176.9-52.1169.6000108.8L53 V55 Q71 L74 I75 V79 A81 G186L53-I84 CarbonylContact O-C 3.49Å; L53-I84 WeakPolarHBondContact O-CA 3.44Å; V55-I84 HydrophobicContact CG1-CG2 3.82Å; V55-I84 HydrophobicContact CG2-CG2 4.02Å; Q71-I84 HydrophobicContact CB-CG2 4.22Å; Q71-I84 HydrophobicContact CG-CB 4.2Å; Q71-I84 HydrophobicContact CG-CD1 4.04Å; Q71-I84 HydrophobicContact CG-CG2 3.84Å; L74-I84 HydrophobicContact CB-CD1 3.68Å; L74-I84 HydrophobicContact CD1-CD1 4.19Å; L74-I84 HydrophobicContact CD1-CG1 4.48Å; L74-I84 HydrophobicContact CD1-CG2 4.33Å; I75-I84 HydrophobicContact CG1-CD1 3.98Å; V79-I84 HydrophobicContact CB-CD1 4.31Å; V79-I84 HydrophobicContact CG1-CD1 3.93Å; V79-I84 HydrophobicContact CG1-CG1 3.87Å; A81-I84 PolarHBondContact O-N 2.85Å; A81-I84 VanDerWaalsContact O-N 3.13Å; I84-G186 WeakPolarHBondContact O-CA 3.39Å; I84-G186 PolarHBondContact O-N 3.44Å
85F93.9Very high91.6Very high4 Ų437.3 Ų37.32%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-112.1134.4175.4-68.1-95.8000109.1W52 L53 L54 V55 V177 I179 H185W52-F85 HydrophobicContact CB-CD2 4.41Å; W52-F85 HydrophobicContact CB-CE2 4.33Å; W52-F85 AromaticContact CD1-CE2 3.72Å; W52-F85 HydrophobicContact CG-CE2 4.2Å; L53-F85 PolarHBondContact O-N 3.08Å; L54-F85 CarbonylContact C-O 3.54Å; L54-F85 WeakPolarHBondContact CA-O 3.36Å; L54-F85 HydrophobicContact CD1-CB 4.07Å; V55-F85 PolarHBondContact N-O 3.21Å; F85-V177 HydrophobicContact CD1-CG1 4.04Å; F85-V177 HydrophobicContact CE1-CG1 4.35Å; F85-I179 HydrophobicContact CB-CD1 4.44Å; F85-I179 HydrophobicContact CD1-CG1 4.14Å; F85-I179 HydrophobicContact CD2-CD1 4.37Å; F85-I179 HydrophobicContact CD2-CG1 4.04Å; F85-I179 HydrophobicContact CD2-CG2 4.01Å; F85-I179 HydrophobicContact CE1-CG1 4.39Å; F85-I179 HydrophobicContact CE2-CB 4.36Å; F85-I179 HydrophobicContact CE2-CG1 4.31Å; F85-I179 HydrophobicContact CE2-CG2 3.74Å; F85-I179 HydrophobicContact CG-CD1 4.33Å; F85-I179 HydrophobicContact CG-CG1 3.96Å; F85-I179 HydrophobicContact CZ-CB 4.49Å; F85-I179 HydrophobicContact CZ-CG1 4.48Å; F85-I179 HydrophobicContact CZ-CG2 4.26Å; F85-H185 AromaticContact CZ-ND1 3.67Å
86C91.3Very high91.4Very high15 Ų1534.1 Ų34.110%0.10121%0.207CC..EExtended strand (participates in β ladder)trans-98.2132.4178.6-850000112.6V55 A67 Y88 C187V55-C86 HydrophobicContact CG2-CB 4.27Å; V55-C86 WeakPolarHBondContact CG2-SG 3.45Å; A67-C86 HydrophobicContact CB-CB 4.05Å; C86-Y88 HydrophobicContact CB-CD1 4.48Å; C86-Y88 HydrophobicContact CB-CD2 4.3Å; C86-Y88 HydrophobicContact CB-CE1 3.94Å; C86-Y88 HydrophobicContact CB-CE2 3.8Å; C86-C187 HydrophobicContact CB-CB 3.55Å; C86-C187 WeakPolarHBondContact CB-SG 3.46Å; C86-C187 WeakPolarHBondContact SG-CB 3.01Å; C86-C187 CovalentContact SG-SG 1.99Å; C86-C187 PolarHBondContact SG-SG 2.92Å
87D91.7Very high91.3Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-110.3101.5164.3175.527.7000110.3L54 V55 S56 G57 A89 R99 F104L54-D87 HydrophobicContact CD1-CB 3.99Å; V55-D87 PolarHBondContact O-N 3.13Å; S56-D87 WeakPolarHBondContact CA-O 3.47Å; S56-D87 WeakPolarHBondContact CB-OD2 3.25Å; S56-D87 PolarHBondContact OG-OD2 3.01Å; G57-D87 PolarHBondContact N-O 3.34Å; D87-A89 VanDerWaalsContact C-N 3.28Å; D87-A89 PolarHBondContact O-N 3.1Å; D87-A89 PolarHBondContact OD1-N 2.85Å; D87-R99 IonicContact OD1-CZ 2.78Å; D87-R99 IonicContact OD1-NE 3.57Å; D87-R99 PolarHBondContact OD1-NE 3.48Å; D87-R99 IonicContact OD1-NH2 3.1Å; D87-R99 PolarHBondContact OD1-NH2 2.85Å; D87-R99 IonicContact OD2-NE 2.66Å; D87-R99 PolarHBondContact OD2-NE 3.25Å; D87-F104 HydrophobicContact CB-CE2 3.6Å; D87-F104 HydrophobicContact CB-CZ 3.69Å
88Y86.6Confident91.1Very high43 Ų4325.5 Ų25.517%0.16915%0.154CC..THydrogen-bonded Turntrans-82.90.7-179.1-59-69.5000114.5G57 N59 D65 A67 S68 C86 C187 P188G57-Y88 CarbonylContact O-C 3.58Å; G57-Y88 VanDerWaalsContact O-C 3.27Å; N59-Y88 HydrophobicContact CB-CD1 4.26Å; N59-Y88 HydrophobicContact CB-CG 4.47Å; N59-Y88 WeakPolarHBondContact CB-O 3.13Å; N59-Y88 PolarHBondContact N-O 2.85Å; D65-Y88 WeakPolarHBondContact OD1-CD1 3.3Å; D65-Y88 WeakPolarHBondContact OD1-CE1 3.48Å; D65-Y88 VanDerWaalsContact OD2-CE1 3.26Å; D65-Y88 WeakPolarHBondContact OD2-CE1 3.36Å; A67-Y88 HydrophobicContact CB-CD1 3.55Å; A67-Y88 HydrophobicContact CB-CE1 3.65Å; A67-Y88 HydrophobicContact CB-CG 4.5Å; S68-Y88 PolarHBondContact OG-OH 3.34Å; C86-Y88 HydrophobicContact CB-CD1 4.48Å; C86-Y88 HydrophobicContact CB-CD2 4.3Å; C86-Y88 HydrophobicContact CB-CE1 3.94Å; C86-Y88 HydrophobicContact CB-CE2 3.8Å; Y88-C187 VanDerWaalsContact OH-CB 3.3Å; Y88-C187 WeakPolarHBondContact OH-CB 3.42Å; Y88-P188 HydrophobicContact CE2-CG 4.17Å; Y88-P188 PolarHBondContact OH-O 3.42Å
89A85.6Confident91Very high11 Ų1124 Ų249%0.09113%0.132CC..BIsolated β-bridgetrans-114.429.9-178.800000112.2D87 F91 D95 R99D87-A89 VanDerWaalsContact C-N 3.28Å; D87-A89 PolarHBondContact O-N 3.1Å; D87-A89 PolarHBondContact OD1-N 2.85Å; A89-F91 VanDerWaalsContact C-N 3.26Å; A89-F91 VanDerWaalsContact CA-CE2 3.45Å; A89-F91 HydrophobicContact CB-CD2 4.31Å; A89-F91 HydrophobicContact CB-CE2 3.62Å; A89-F91 HydrophobicContact CB-CZ 4.34Å; A89-F91 VanDerWaalsContact O-CD2 3.31Å; A89-F91 WeakPolarHBondContact O-CD2 3.25Å; A89-F91 PolarHBondContact O-N 3.19Å; A89-F91 VanDerWaalsContact O-N 3.1Å; A89-D95 WeakPolarHBondContact O-CB 3.45Å; A89-R99 WeakPolarHBondContact O-CD 3.4Å
90G82.4Confident90.9Very high10 Ų1023.9 Ų23.910%0.10313%0.132CC..  trans-81.353.1174.900000113.7S56 G57 S92S56-G90 WeakPolarHBondContact OG-CA 3.47Å; G57-G90 PolarHBondContact O-N 3.41Å; G90-S92 PolarHBondContact O-N 2.81Å
91F82Confident90.8Very high69 Ų6925 Ų2530%0.30313%0.133SC..SBendtrans-67.2-18.9-175.2-56.1-75.6000114D58 A89 K171 Y172D58-F91 WeakPolarHBondContact OD1-CD1 3.29Å; D58-F91 WeakPolarHBondContact OD1-CE1 3.5Å; A89-F91 VanDerWaalsContact C-N 3.26Å; A89-F91 VanDerWaalsContact CA-CE2 3.45Å; A89-F91 HydrophobicContact CB-CD2 4.31Å; A89-F91 HydrophobicContact CB-CE2 3.62Å; A89-F91 HydrophobicContact CB-CZ 4.34Å; A89-F91 VanDerWaalsContact O-CD2 3.31Å; A89-F91 WeakPolarHBondContact O-CD2 3.25Å; A89-F91 PolarHBondContact O-N 3.19Å; A89-F91 VanDerWaalsContact O-N 3.1Å; F91-K171 HydrophobicContact CD2-CB 4.16Å; F91-K171 HydrophobicContact CD2-CD 4.21Å; F91-K171 HydrophobicContact CE2-CD 4.46Å; F91-Y172 HydrophobicContact CD2-CD2 4.33Å; F91-Y172 AromaticContact CE2-CD2 3.5Å; F91-Y172 HydrophobicContact CE2-CD2 3.5Å; F91-Y172 VanDerWaalsContact CE2-CD2 3.5Å; F91-Y172 AromaticContact CE2-CE2 3.9Å; F91-Y172 HydrophobicContact CE2-CE2 3.9Å; F91-Y172 HydrophobicContact CZ-CD2 4.11Å; F91-Y172 HydrophobicContact CZ-CE2 4.15Å
92S86.1Confident90.8Very high44 Ų4427.6 Ų27.631%0.30814%0.135SC..SBendtrans-149.2164.8176.871.40000110.6G90 L94 D95 S96G90-S92 PolarHBondContact O-N 2.81Å; S92-L94 PolarHBondContact O-N 2.87Å; S92-L94 PolarHBondContact OG-N 2.88Å; S92-D95 VanDerWaalsContact CB-OD2 3.29Å; S92-D95 WeakPolarHBondContact CB-OD2 3.49Å; S92-D95 PolarHBondContact N-OD2 3.42Å; S92-D95 PolarHBondContact O-N 2.93Å; S92-D95 VanDerWaalsContact O-N 3.08Å; S92-D95 VanDerWaalsContact OG-CG 3.25Å; S92-D95 PolarHBondContact OG-N 3.28Å; S92-D95 PolarHBondContact OG-OD2 3.38Å; S92-S96 PolarHBondContact O-N 3.29Å; S92-S96 PolarHBondContact O-OG 3.15Å
93T88.1Confident90.8Very high22 Ų2221.2 Ų21.214%0.13511%0.108CC..Hα-helixtrans-55.5-36.1172.3-490000111.4L25 V97 H117 R120 A121 L124L25-T93 HydrophobicContact CD1-CG2 4.27Å; T93-V97 HydrophobicContact CG2-CG2 4.46Å; T93-V97 WeakPolarHBondContact O-CB 3.25Å; T93-V97 VanDerWaalsContact O-CG2 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.19Å; T93-V97 PolarHBondContact O-N 3.38Å; T93-V97 VanDerWaalsContact O-N 3.13Å; T93-H117 PolarHBondContact OG1-NE2 3.44Å; T93-R120 PolarHBondContact OG1-NH2 2.83Å; T93-A121 HydrophobicContact CG2-CB 3.57Å; T93-L124 HydrophobicContact CG2-CD1 3.83Å
94L90Very high90.7Very high6 Ų620.9 Ų20.93%0.03111%0.105CC..Hα-helixtrans-65.5-46.4176.8175.169.6000111S92 V97 V98 L124 Y128 D162 R168S92-L94 PolarHBondContact O-N 2.87Å; S92-L94 PolarHBondContact OG-N 2.88Å; L94-V97 PolarHBondContact O-N 2.79Å; L94-V98 HydrophobicContact CD1-CG2 3.69Å; L94-V98 HydrophobicContact CG-CG2 4.36Å; L94-V98 WeakPolarHBondContact O-CB 3.09Å; L94-V98 WeakPolarHBondContact O-CG2 3.23Å; L94-V98 PolarHBondContact O-N 2.97Å; L94-L124 HydrophobicContact CB-CD1 4.32Å; L94-L124 HydrophobicContact CD1-CD2 4.03Å; L94-Y128 HydrophobicContact CD1-CD2 3.99Å; L94-Y128 HydrophobicContact CD1-CE1 4.49Å; L94-Y128 HydrophobicContact CD1-CE2 3.22Å; L94-D162 HydrophobicContact CD2-CB 4.13Å; L94-R168 HydrophobicContact CD2-CB 3.66Å
95D90.8Very high90.6Very high13 Ų1323 Ų237%0.0713%0.128CC..Hα-helixtrans-58-52.8177.8-65.5-62.9000110.5A89 S92 V97 V98 R99 P170 K171A89-D95 WeakPolarHBondContact O-CB 3.45Å; S92-D95 VanDerWaalsContact CB-OD2 3.29Å; S92-D95 WeakPolarHBondContact CB-OD2 3.49Å; S92-D95 PolarHBondContact N-OD2 3.42Å; S92-D95 PolarHBondContact O-N 2.93Å; S92-D95 VanDerWaalsContact O-N 3.08Å; S92-D95 VanDerWaalsContact OG-CG 3.25Å; S92-D95 PolarHBondContact OG-N 3.28Å; S92-D95 PolarHBondContact OG-OD2 3.38Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 2.82Å; D95-V98 PolarHBondContact O-N 3.5Å; D95-R99 WeakPolarHBondContact O-CB 3.13Å; D95-R99 WeakPolarHBondContact O-CG 3.45Å; D95-R99 PolarHBondContact O-N 2.88Å; D95-P170 WeakPolarHBondContact OD1-CA 3.25Å; D95-K171 PolarHBondContact OD1-N 3.41Å
96S92.9Very high90.7Very high4 Ų424.2 Ų24.23%0.02813%0.133CC..Hα-helixtrans-56.5-46.3-179.7-59.10000112.6S56 S92 A100S56-S96 WeakPolarHBondContact OG-CA 3.33Å; S56-S96 WeakPolarHBondContact OG-CB 3.45Å; S56-S96 PolarHBondContact OG-OG 2.87Å; S92-S96 PolarHBondContact O-N 3.29Å; S92-S96 PolarHBondContact O-OG 3.15Å; S96-A100 WeakPolarHBondContact O-CB 3.25Å; S96-A100 PolarHBondContact O-N 3.43Å; S96-A100 VanDerWaalsContact O-N 3.1Å
97V93.7Very high90.8Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-69.7-47.4-177.1169.40000111.4L23 T93 L94 D95 A100 I111 A121 A125 I130L23-V97 HydrophobicContact CD2-CG2 4.27Å; T93-V97 HydrophobicContact CG2-CG2 4.46Å; T93-V97 WeakPolarHBondContact O-CB 3.25Å; T93-V97 VanDerWaalsContact O-CG2 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.19Å; T93-V97 PolarHBondContact O-N 3.38Å; T93-V97 VanDerWaalsContact O-N 3.13Å; L94-V97 PolarHBondContact O-N 2.79Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 2.82Å; V97-A100 WeakPolarHBondContact O-CB 3.12Å; V97-A100 PolarHBondContact O-N 3.12Å; V97-I111 HydrophobicContact CG2-CD1 4.13Å; V97-A121 HydrophobicContact CG2-CB 4.15Å; V97-A125 HydrophobicContact CG1-CB 3.63Å; V97-I130 HydrophobicContact CG1-CD1 3.65Å; V97-I130 VanDerWaalsContact O-CD1 3.29Å; V97-I130 WeakPolarHBondContact O-CD1 3.07Å
98V92.7Very high91Very high1 Ų131.4 Ų31.41%0.00617%0.167CC..Hα-helixtrans-72.9-34.2-177.1177.70000111.2L94 D95 K101 K102 Y128 P170L94-V98 HydrophobicContact CD1-CG2 3.69Å; L94-V98 HydrophobicContact CG-CG2 4.36Å; L94-V98 WeakPolarHBondContact O-CB 3.09Å; L94-V98 WeakPolarHBondContact O-CG2 3.23Å; L94-V98 PolarHBondContact O-N 2.97Å; D95-V98 PolarHBondContact O-N 3.5Å; V98-K101 PolarHBondContact O-N 3.23Å; V98-K102 HydrophobicContact CG1-CD 3.73Å; V98-K102 HydrophobicContact CG1-CG 4Å; V98-K102 WeakPolarHBondContact O-CB 3.48Å; V98-K102 PolarHBondContact O-N 3.37Å; V98-Y128 HydrophobicContact CG1-CD1 4.33Å; V98-Y128 HydrophobicContact CG2-CD1 3.63Å; V98-Y128 HydrophobicContact CG2-CD2 3.79Å; V98-Y128 HydrophobicContact CG2-CE1 3.92Å; V98-Y128 HydrophobicContact CG2-CE2 4.1Å; V98-Y128 HydrophobicContact CG2-CG 3.57Å; V98-P170 HydrophobicContact CB-CG 3.59Å; V98-P170 HydrophobicContact CG1-CG 3.36Å
99R94.6Very high91.5Very high18 Ų1829.3 Ų29.37%0.06816%0.159CC..Hα-helixtrans-67.4-35.9174.9-71.1174.155.367.410.9112D87 A89 D95 K101 K102 V103 F104 P170 Y172 L173D87-R99 IonicContact OD1-CZ 2.78Å; D87-R99 IonicContact OD1-NE 3.57Å; D87-R99 PolarHBondContact OD1-NE 3.48Å; D87-R99 IonicContact OD1-NH2 3.1Å; D87-R99 PolarHBondContact OD1-NH2 2.85Å; D87-R99 IonicContact OD2-NE 2.66Å; D87-R99 PolarHBondContact OD2-NE 3.25Å; A89-R99 WeakPolarHBondContact O-CD 3.4Å; D95-R99 WeakPolarHBondContact O-CB 3.13Å; D95-R99 WeakPolarHBondContact O-CG 3.45Å; D95-R99 PolarHBondContact O-N 2.88Å; R99-K101 PolarHBondContact O-N 3.13Å; R99-K102 PolarHBondContact O-N 2.8Å; R99-V103 HydrophobicContact CB-CB 4.42Å; R99-V103 HydrophobicContact CB-CG2 3.93Å; R99-V103 HydrophobicContact CG-CG2 4.03Å; R99-V103 WeakPolarHBondContact O-CA 3.02Å; R99-V103 VanDerWaalsContact O-CB 3.25Å; R99-V103 WeakPolarHBondContact O-CB 3.43Å; R99-V103 PolarHBondContact O-N 2.79Å; R99-F104 WeakPolarHBondContact O-CD2 3.46Å; R99-F104 PolarHBondContact O-N 2.8Å; R99-P170 HydrophobicContact CG-CB 3.85Å; R99-P170 HydrophobicContact CG-CG 4.19Å; R99-Y172 WeakPolarHBondContact CD-O 3.02Å; R99-Y172 VanDerWaalsContact NH1-C 3.34Å; R99-Y172 PolarHBondContact NH1-O 3.46Å; R99-L173 HydrophobicContact CG-CD2 4.31Å; R99-L173 VanDerWaalsContact NH1-CA 3.26Å; R99-L173 PolarHBondContact NH1-O 2.92Å
100A94.6Very high92.2Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-50.6-42.8172.100000111.6L23 L54 S96 V97 F104 G105 E106 I109L23-A100 HydrophobicContact CD2-CB 4.22Å; L54-A100 HydrophobicContact CD2-CB 3.86Å; S96-A100 WeakPolarHBondContact O-CB 3.25Å; S96-A100 PolarHBondContact O-N 3.43Å; S96-A100 VanDerWaalsContact O-N 3.1Å; V97-A100 WeakPolarHBondContact O-CB 3.12Å; V97-A100 PolarHBondContact O-N 3.12Å; A100-F104 CarbonylContact O-C 3.51Å; A100-F104 WeakPolarHBondContact O-CA 3.14Å; A100-F104 WeakPolarHBondContact O-CB 3.17Å; A100-F104 PolarHBondContact O-N 2.89Å; A100-G105 PolarHBondContact O-N 3.44Å; A100-E106 CarbonylContact C-O 3.58Å; A100-E106 PolarHBondContact O-N 2.93Å; A100-I109 HydrophobicContact CB-CD1 4.26Å
101K94.8Very high92.9Very high69 Ų6928.4 Ų28.430%0.315%0.15SC..Hα-helixtrans-74.4-56.3173.1172.3169.8-172.9166.20113.7V98 R99 G105 E106 N107 Y128 G129 I130V98-K101 PolarHBondContact O-N 3.23Å; R99-K101 PolarHBondContact O-N 3.13Å; K101-G105 VanDerWaalsContact O-CA 3.24Å; K101-G105 WeakPolarHBondContact O-CA 3.24Å; K101-G105 PolarHBondContact O-N 2.91Å; K101-G105 VanDerWaalsContact O-N 3.11Å; K101-E106 WeakPolarHBondContact CA-O 3.44Å; K101-E106 PolarHBondContact N-O 3.46Å; K101-N107 WeakPolarHBondContact CD-OD1 3.46Å; K101-N107 WeakPolarHBondContact CE-OD1 3.46Å; K101-N107 WeakPolarHBondContact CG-OD1 3.27Å; K101-Y128 PolarHBondContact NZ-O 3.01Å; K101-G129 PolarHBondContact NZ-O 3.35Å; K101-I130 HydrophobicContact CB-CD1 3.86Å; K101-I130 HydrophobicContact CB-CG1 3.94Å; K101-I130 HydrophobicContact CD-CD1 4.16Å; K101-I130 HydrophobicContact CD-CG1 3.62Å; K101-I130 HydrophobicContact CG-CG1 4.42Å
102K92.5Very high93.7Very high98 Ų9825.1 Ų25.143%0.42614%0.136SC..Hα-helixtrans-76.5-24.6-166.4-70.7-167.1175.1-169.90114.3V98 R99 L173V98-K102 HydrophobicContact CG1-CD 3.73Å; V98-K102 HydrophobicContact CG1-CG 4Å; V98-K102 WeakPolarHBondContact O-CB 3.48Å; V98-K102 PolarHBondContact O-N 3.37Å; R99-K102 PolarHBondContact O-N 2.8Å; K102-L173 HydrophobicContact CB-CD2 3.71Å; K102-L173 HydrophobicContact CD-CD1 4.13Å; K102-L173 HydrophobicContact CD-CD2 3.87Å; K102-L173 HydrophobicContact CG-CD2 4.42Å
103V92.2Very high94.1Very high4 Ų423 Ų232%0.02412%0.121CC..THydrogen-bonded Turntrans-111.3-45.2-174.2-174.90000109.7R99 L173 P175 S176 V177R99-V103 HydrophobicContact CB-CB 4.42Å; R99-V103 HydrophobicContact CB-CG2 3.93Å; R99-V103 HydrophobicContact CG-CG2 4.03Å; R99-V103 WeakPolarHBondContact O-CA 3.02Å; R99-V103 VanDerWaalsContact O-CB 3.25Å; R99-V103 WeakPolarHBondContact O-CB 3.43Å; R99-V103 PolarHBondContact O-N 2.79Å; V103-L173 WeakPolarHBondContact CG1-O 3.35Å; V103-L173 HydrophobicContact CG2-CB 4.33Å; V103-L173 HydrophobicContact CG2-CD2 3.92Å; V103-L173 WeakPolarHBondContact CG2-O 3.48Å; V103-P175 WeakPolarHBondContact CG1-O 3.33Å; V103-S176 CarbonylContact O-C 3.53Å; V103-S176 VanDerWaalsContact O-CA 3.3Å; V103-S176 WeakPolarHBondContact O-CA 3.32Å; V103-S176 PolarHBondContact O-OG 3.25Å; V103-V177 PolarHBondContact O-N 2.9Å
104F93.2Very high94.2Very high7 Ų722 Ų223%0.03112%0.115CC..THydrogen-bonded Turntrans-95.6-3.9-176.5-59.4-86000114.1L54 D87 R99 A100 E106 V177 I179L54-F104 HydrophobicContact CD1-CD1 3.72Å; L54-F104 HydrophobicContact CD1-CD2 3.91Å; L54-F104 HydrophobicContact CD1-CE1 3.6Å; L54-F104 HydrophobicContact CD1-CE2 3.82Å; L54-F104 HydrophobicContact CD1-CG 3.88Å; L54-F104 HydrophobicContact CD1-CZ 3.65Å; L54-F104 HydrophobicContact CD2-CB 4.04Å; L54-F104 HydrophobicContact CD2-CD1 4.41Å; L54-F104 HydrophobicContact CD2-CD2 3.64Å; L54-F104 HydrophobicContact CD2-CE2 4.23Å; L54-F104 HydrophobicContact CD2-CG 3.76Å; L54-F104 HydrophobicContact CG-CD2 4.43Å; L54-F104 HydrophobicContact CG-CG 4.5Å; D87-F104 HydrophobicContact CB-CE2 3.6Å; D87-F104 HydrophobicContact CB-CZ 3.69Å; R99-F104 WeakPolarHBondContact O-CD2 3.46Å; R99-F104 PolarHBondContact O-N 2.8Å; A100-F104 CarbonylContact O-C 3.51Å; A100-F104 WeakPolarHBondContact O-CA 3.14Å; A100-F104 WeakPolarHBondContact O-CB 3.17Å; A100-F104 PolarHBondContact O-N 2.89Å; F104-E106 HydrophobicContact CB-CG 4.44Å; F104-E106 PolarHBondContact O-N 2.79Å; F104-V177 CarbonylContact C-O 3.52Å; F104-V177 VanDerWaalsContact CA-O 3.25Å; F104-V177 WeakPolarHBondContact CA-O 3.32Å; F104-V177 HydrophobicContact CD1-CB 3.87Å; F104-V177 HydrophobicContact CD1-CG1 4.14Å; F104-V177 HydrophobicContact CE1-CB 3.91Å; F104-V177 HydrophobicContact CE1-CG1 4.14Å; F104-V177 HydrophobicContact CE1-CG2 4.25Å; F104-I179 HydrophobicContact CB-CD1 3.9Å; F104-I179 HydrophobicContact CB-CG1 4.3Å; F104-I179 HydrophobicContact CD1-CD1 4.11Å; F104-I179 HydrophobicContact CD1-CG1 4.23Å; F104-I179 HydrophobicContact CG-CD1 4.33Å
105G93.1Very high94.3Very high46 Ų4626 Ų2647%0.47413%0.133SC..  trans73.56.9177.900000114.8A100 K101 N107A100-G105 PolarHBondContact O-N 3.44Å; K101-G105 VanDerWaalsContact O-CA 3.24Å; K101-G105 WeakPolarHBondContact O-CA 3.24Å; K101-G105 PolarHBondContact O-N 2.91Å; K101-G105 VanDerWaalsContact O-N 3.11Å; G105-N107 PolarHBondContact O-N 3Å
106E94.9Very high94Very high28 Ų2826.6 Ų26.613%0.13114%0.135CC..  trans-92.6110.3-170.4-65.5-59.1154.900112.4V21 A100 K101 F104 I109 I179V21-E106 HydrophobicContact CB-CG 4.01Å; V21-E106 HydrophobicContact CG1-CG 4.26Å; V21-E106 HydrophobicContact CG2-CG 3.65Å; V21-E106 WeakPolarHBondContact CG2-OE1 3.41Å; A100-E106 CarbonylContact C-O 3.58Å; A100-E106 PolarHBondContact O-N 2.93Å; K101-E106 WeakPolarHBondContact CA-O 3.44Å; K101-E106 PolarHBondContact N-O 3.46Å; F104-E106 HydrophobicContact CB-CG 4.44Å; F104-E106 PolarHBondContact O-N 2.79Å; E106-I109 HydrophobicContact CB-CG2 3.62Å; E106-I179 HydrophobicContact CG-CD1 4Å
107N94.1Very high93.9Very high60 Ų6027 Ų2732%0.32114%0.137SC..SBendtrans-99-11.7176.7-72.4-58.7000113.8K101 G105 D131K101-N107 WeakPolarHBondContact CD-OD1 3.46Å; K101-N107 WeakPolarHBondContact CE-OD1 3.46Å; K101-N107 WeakPolarHBondContact CG-OD1 3.27Å; G105-N107 PolarHBondContact O-N 3Å; N107-D131 PolarHBondContact O-N 3.14Å
108H96.3Very high93.9Very high106 Ų10627 Ų2749%0.49114%0.137SC..EExtended strand (participates in β ladder)trans-13093.3-175.1-62.492.1000110R19 D131R19-H108 PolarHBondContact NH1-CD2 2.9Å; H108-D131 VanDerWaalsContact CA-O 3.31Å; H108-D131 WeakPolarHBondContact CA-O 3.36Å; H108-D131 IonicContact CD2-OD2 3.92Å; H108-D131 PolarHBondContact CD2-OD2 3.09Å; H108-D131 VanDerWaalsContact CD2-OD2 3.31Å
109I97.7Very high93.8Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-126150.5-166.559.9174.5000113.4L23 A100 E106 I111 I130 D131 A132 I133L23-I109 HydrophobicContact CB-CD1 4.28Å; L23-I109 HydrophobicContact CD2-CD1 3.86Å; A100-I109 HydrophobicContact CB-CD1 4.26Å; E106-I109 HydrophobicContact CB-CG2 3.62Å; I109-I111 HydrophobicContact CD1-CD1 4.29Å; I109-I111 HydrophobicContact CD1-CG1 3.95Å; I109-I111 HydrophobicContact CG1-CG1 4.2Å; I109-I130 HydrophobicContact CD1-CG2 4.04Å; I109-I130 HydrophobicContact CG1-CG2 4.05Å; I109-D131 PolarHBondContact N-O 3.44Å; I109-A132 HydrophobicContact CD1-CB 4.44Å; I109-A132 HydrophobicContact CG1-CB 3.96Å; I109-A132 WeakPolarHBondContact O-CA 3.44Å; I109-I133 PolarHBondContact O-N 3.37Å
110T98.3Very high93.6Very high1 Ų127.4 Ų27.41%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-101108.4165-59.30000109.6R19 V21 G22 L23 L44 I133 F135R19-T110 WeakPolarHBondContact CB-OG1 3.37Å; R19-T110 VanDerWaalsContact CG-OG1 3.23Å; R19-T110 WeakPolarHBondContact CG-OG1 3.32Å; V21-T110 PolarHBondContact O-N 2.89Å; G22-T110 CarbonylContact C-O 3.59Å; G22-T110 VanDerWaalsContact CA-O 3.24Å; G22-T110 WeakPolarHBondContact CA-O 3.33Å; L23-T110 PolarHBondContact N-O 2.84Å; L44-T110 HydrophobicContact CD1-CG2 4.18Å; T110-I133 CarbonylContact C-O 3.54Å; T110-I133 WeakPolarHBondContact CA-O 3.4Å; T110-I133 HydrophobicContact CG2-CD1 4.47Å; T110-I133 HydrophobicContact CG2-CG1 4.25Å; T110-I133 WeakPolarHBondContact OG1-CD1 3.36Å; T110-I133 WeakPolarHBondContact OG1-CG1 3.49Å; T110-F135 HydrophobicContact CG2-CB 3.89Å
111I98.2Very high93.5Very high0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-79128.8177.4-56.1-178.7000109.6L23 L25 V97 I109 N118 A121 I122 A132 I133 G134 F135L23-I111 HydrophobicContact CD2-CG1 4.43Å; L23-I111 CarbonylContact O-C 3.56Å; L23-I111 WeakPolarHBondContact O-CA 3.46Å; L25-I111 HydrophobicContact CD1-CG2 3.54Å; L25-I111 HydrophobicContact CG-CG2 3.81Å; V97-I111 HydrophobicContact CG2-CD1 4.13Å; I109-I111 HydrophobicContact CD1-CD1 4.29Å; I109-I111 HydrophobicContact CD1-CG1 3.95Å; I109-I111 HydrophobicContact CG1-CG1 4.2Å; I111-N118 PolarHBondContact O-OD1 2.71Å; I111-A121 HydrophobicContact CD1-CB 3.67Å; I111-A121 HydrophobicContact CG2-CB 3.99Å; I111-I122 HydrophobicContact CD1-CG1 4.45Å; I111-A132 HydrophobicContact CD1-CB 3.71Å; I111-A132 HydrophobicContact CG1-CB 4.17Å; I111-I133 PolarHBondContact N-O 2.97Å; I111-G134 CarbonylContact O-C 3.37Å; I111-G134 WeakPolarHBondContact O-CA 3.31Å; I111-F135 PolarHBondContact O-N 2.92Å
112I97.8Very high93.5Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-113.7110.6-174.8-56159000109L23 L24 L25 T40 A41 L44 L53L23-I112 PolarHBondContact O-N 3.41Å; L24-I112 HydrophobicContact CD1-CB 4.24Å; L24-I112 HydrophobicContact CD1-CG2 4.05Å; L25-I112 PolarHBondContact N-O 3.48Å; T40-I112 HydrophobicContact CG2-CG2 3.73Å; A41-I112 HydrophobicContact CB-CD1 3.9Å; A41-I112 HydrophobicContact CB-CG2 4.21Å; L44-I112 HydrophobicContact CD1-CD1 3.69Å; L44-I112 HydrophobicContact CD1-CG1 3.63Å; L53-I112 HydrophobicContact CD2-CD1 3.99Å
113S95Very high93.5Very high0 Ų020.8 Ų20.80%011%0.109CC..EExtended strand (participates in β ladder)trans-168.8-173.5-178.8-143.20000111.2R37 H117 N118 F135 N136 A137R37-S113 PolarHBondContact NE-OG 3.41Å; R37-S113 VanDerWaalsContact NE-OG 3.15Å; R37-S113 PolarHBondContact NH1-OG 3.23Å; R37-S113 VanDerWaalsContact NH1-OG 3.12Å; R37-S113 PolarHBondContact NH2-OG 3.31Å; S113-H117 PolarHBondContact OG-ND1 3.1Å; S113-N118 WeakPolarHBondContact CA-OD1 3.43Å; S113-N118 WeakPolarHBondContact CB-OD1 3.43Å; S113-N118 PolarHBondContact N-OD1 3.39Å; S113-N118 VanDerWaalsContact N-OD1 3.13Å; S113-N118 PolarHBondContact O-ND2 2.7Å; S113-N118 VanDerWaalsContact O-ND2 3.1Å; S113-F135 PolarHBondContact N-O 3.1Å; S113-N136 CarbonylContact O-C 3.27Å; S113-N136 WeakPolarHBondContact O-CA 3.46Å; S113-A137 PolarHBondContact O-N 2.79Å
114Q91.6Very high93.4Very high0 Ų020.7 Ų20.70%011%0.109CC..  trans-67.9153.4168.2-77.366.156.200110.8Y33 F116 H117 N118Y33-Q114 HydrophobicContact CD1-CG 3.61Å; Y33-Q114 HydrophobicContact CE1-CG 3.6Å; Q114-F116 VanDerWaalsContact C-N 3.32Å; Q114-F116 HydrophobicContact CB-CD1 3.8Å; Q114-F116 HydrophobicContact CB-CD2 4.49Å; Q114-F116 HydrophobicContact CB-CE1 3.41Å; Q114-F116 VanDerWaalsContact CB-CE1 3.41Å; Q114-F116 HydrophobicContact CB-CE2 4.21Å; Q114-F116 HydrophobicContact CB-CG 4.36Å; Q114-F116 HydrophobicContact CB-CZ 3.66Å; Q114-F116 HydrophobicContact CG-CE1 3.84Å; Q114-F116 HydrophobicContact CG-CZ 4.08Å; Q114-F116 PolarHBondContact O-N 3.24Å; Q114-H117 WeakPolarHBondContact O-CA 3.35Å; Q114-H117 WeakPolarHBondContact O-CB 3.36Å; Q114-H117 PolarHBondContact O-N 3.38Å; Q114-N118 PolarHBondContact O-N 3.17Å
115E91Very high93.5Very high91 Ų9120.4 Ų20.443%0.42511%0.108SC..Hα-helixtrans-51.4-47.4-176.7-173.8-171.6167.200113.3H117 N118 Q119 N136E115-H117 PolarHBondContact O-N 2.94Å; E115-N118 PolarHBondContact O-N 2.91Å; E115-Q119 WeakPolarHBondContact O-CG 3.08Å; E115-Q119 PolarHBondContact O-N 3.22Å; E115-Q119 PolarHBondContact OE1-NE2 3.18Å; E115-N136 VanDerWaalsContact CA-OD1 3.27Å; E115-N136 WeakPolarHBondContact CA-OD1 3.39Å; E115-N136 HydrophobicContact CB-CB 4.28Å; E115-N136 WeakPolarHBondContact CG-ND2 3.49Å
116F85.7Confident93.5Very high26 Ų2625.4 Ų25.411%0.11412%0.116CC..Hα-helixtrans-58.9-35.5179.460.2-107.3000112.7Q114 R120 T148 E152Q114-F116 VanDerWaalsContact C-N 3.32Å; Q114-F116 HydrophobicContact CB-CD1 3.8Å; Q114-F116 HydrophobicContact CB-CD2 4.49Å; Q114-F116 HydrophobicContact CB-CE1 3.41Å; Q114-F116 VanDerWaalsContact CB-CE1 3.41Å; Q114-F116 HydrophobicContact CB-CE2 4.21Å; Q114-F116 HydrophobicContact CB-CG 4.36Å; Q114-F116 HydrophobicContact CB-CZ 3.66Å; Q114-F116 HydrophobicContact CG-CE1 3.84Å; Q114-F116 HydrophobicContact CG-CZ 4.08Å; Q114-F116 PolarHBondContact O-N 3.24Å; F116-R120 PolarHBondContact O-N 2.66Å; F116-T148 HydrophobicContact CD1-CG2 4.11Å; F116-T148 HydrophobicContact CE1-CG2 3.71Å; F116-T148 HydrophobicContact CZ-CG2 3.98Å; F116-E152 HydrophobicContact CB-CG 3.95Å; F116-E152 HydrophobicContact CD2-CG 3.38Å; F116-E152 WeakPolarHBondContact CD2-OE1 3.11Å; F116-E152 VanDerWaalsContact CD2-OE2 3.25Å; F116-E152 WeakPolarHBondContact CD2-OE2 3.46Å; F116-E152 VanDerWaalsContact CE2-CD 3.44Å; F116-E152 HydrophobicContact CE2-CG 3.89Å; F116-E152 WeakPolarHBondContact CE2-OE1 3.45Å; F116-E152 HydrophobicContact CG-CG 3.72Å
117H89.5Confident93.3Very high13 Ų1327.7 Ų27.76%0.0613%0.127CC..Hα-helixtrans-81.2-40.5-176.2-170.7-169000109.9L25 T93 S113 Q114 E115 Q119 R120 A121L25-H117 VanDerWaalsContact CD1-CE1 3.45Å; L25-H117 WeakPolarHBondContact CD1-CE1 3.3Å; T93-H117 PolarHBondContact OG1-NE2 3.44Å; S113-H117 PolarHBondContact OG-ND1 3.1Å; Q114-H117 WeakPolarHBondContact O-CA 3.35Å; Q114-H117 WeakPolarHBondContact O-CB 3.36Å; Q114-H117 PolarHBondContact O-N 3.38Å; E115-H117 PolarHBondContact O-N 2.94Å; H117-Q119 VanDerWaalsContact C-N 3.33Å; H117-Q119 PolarHBondContact O-N 2.74Å; H117-R120 PolarHBondContact CD2-NH2 2.99Å; H117-R120 PolarHBondContact NE2-NH2 2.82Å; H117-R120 VanDerWaalsContact NE2-NH2 3.12Å; H117-R120 PolarHBondContact O-N 2.82Å; H117-A121 WeakPolarHBondContact O-CB 3.41Å; H117-A121 PolarHBondContact O-N 2.82Å
118N93.5Very high93.2Very high0 Ų026.8 Ų26.80%012%0.119CC..Hα-helixtrans-56.5-47.2171.5-72.3-15000110.7T9 I111 S113 Q114 E115 R120 A121 I122 F135 N136T9-N118 HydrophobicContact CG2-CB 3.97Å; I111-N118 PolarHBondContact O-OD1 2.71Å; S113-N118 WeakPolarHBondContact CA-OD1 3.43Å; S113-N118 WeakPolarHBondContact CB-OD1 3.43Å; S113-N118 PolarHBondContact N-OD1 3.39Å; S113-N118 VanDerWaalsContact N-OD1 3.13Å; S113-N118 PolarHBondContact O-ND2 2.7Å; S113-N118 VanDerWaalsContact O-ND2 3.1Å; Q114-N118 PolarHBondContact O-N 3.17Å; E115-N118 PolarHBondContact O-N 2.91Å; N118-R120 VanDerWaalsContact C-N 3.31Å; N118-R120 PolarHBondContact O-N 2.72Å; N118-A121 PolarHBondContact O-N 3.07Å; N118-A121 VanDerWaalsContact O-N 3.14Å; N118-I122 HydrophobicContact CB-CD1 4.43Å; N118-I122 WeakPolarHBondContact O-CB 3.44Å; N118-I122 WeakPolarHBondContact O-CD1 3.03Å; N118-I122 WeakPolarHBondContact O-CG1 3.39Å; N118-I122 PolarHBondContact O-N 3.13Å; N118-F135 PolarHBondContact ND2-N 3.48Å; N118-F135 PolarHBondContact ND2-O 2.91Å; N118-N136 PolarHBondContact ND2-OD1 2.89Å
119Q91.6Very high93.1Very high11 Ų1124.2 Ų24.25%0.05112%0.122CC..Hα-helixtrans-56.4-43.6176.7-71.4170.97.900112.3V2 S5 T9 E115 H117 W123V2-Q119 HydrophobicContact CG1-CB 4.28Å; S5-Q119 PolarHBondContact OG-O 3.36Å; T9-Q119 HydrophobicContact CG2-CG 4.31Å; E115-Q119 WeakPolarHBondContact O-CG 3.08Å; E115-Q119 PolarHBondContact O-N 3.22Å; E115-Q119 PolarHBondContact OE1-NE2 3.18Å; H117-Q119 VanDerWaalsContact C-N 3.33Å; H117-Q119 PolarHBondContact O-N 2.74Å; Q119-W123 WeakPolarHBondContact O-CB 3.33Å; Q119-W123 PolarHBondContact O-N 3.4Å; Q119-W123 VanDerWaalsContact O-N 3.14Å
120R89.9Confident93Very high15 Ų1524.6 Ų24.66%0.05712%0.124CC..Hα-helixtrans-64.3-46.5175.3179.1174.268.4-127.38.7111.7T93 F116 H117 N118 W123 L124 E152 A155 A159T93-R120 PolarHBondContact OG1-NH2 2.83Å; F116-R120 PolarHBondContact O-N 2.66Å; H117-R120 PolarHBondContact CD2-NH2 2.99Å; H117-R120 PolarHBondContact NE2-NH2 2.82Å; H117-R120 VanDerWaalsContact NE2-NH2 3.12Å; H117-R120 PolarHBondContact O-N 2.82Å; N118-R120 VanDerWaalsContact C-N 3.31Å; N118-R120 PolarHBondContact O-N 2.72Å; R120-W123 PolarHBondContact O-N 2.52Å; R120-L124 HydrophobicContact CG-CD1 4.38Å; R120-L124 PolarHBondContact O-N 3.47Å; R120-E152 IonicContact CZ-OE1 2.71Å; R120-E152 IonicContact CZ-OE2 3.09Å; R120-E152 IonicContact NH1-OE1 2.65Å; R120-E152 PolarHBondContact NH1-OE1 2.88Å; R120-E152 IonicContact NH1-OE2 2.7Å; R120-E152 PolarHBondContact NH1-OE2 3.09Å; R120-E152 IonicContact NH2-OE1 3.39Å; R120-A155 WeakPolarHBondContact CD-O 3.13Å; R120-A159 HydrophobicContact CG-CB 3.93Å
121A93Very high92.9Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-66.7-41.4-176.800000112.1L25 T93 V97 I111 H117 N118 W123 L124 A125L25-A121 HydrophobicContact CD1-CB 3.94Å; T93-A121 HydrophobicContact CG2-CB 3.57Å; V97-A121 HydrophobicContact CG2-CB 4.15Å; I111-A121 HydrophobicContact CD1-CB 3.67Å; I111-A121 HydrophobicContact CG2-CB 3.99Å; H117-A121 WeakPolarHBondContact O-CB 3.41Å; H117-A121 PolarHBondContact O-N 2.82Å; N118-A121 PolarHBondContact O-N 3.07Å; N118-A121 VanDerWaalsContact O-N 3.14Å; A121-W123 VanDerWaalsContact C-N 3.34Å; A121-W123 PolarHBondContact O-N 3.46Å; A121-L124 WeakPolarHBondContact O-CB 3.26Å; A121-L124 PolarHBondContact O-N 3.16Å; A121-A125 WeakPolarHBondContact O-CB 3.42Å; A121-A125 PolarHBondContact O-N 3.12Å
122I94.8Very high92.8Very high6 Ų628 Ų283%0.03114%0.142CC..Hα-helixtrans-61.8-43.2173.9-67.2160.2000110.6L8 T9 I111 N118 L124 A125 K126 A132L8-I122 HydrophobicContact CB-CD1 4.08Å; L8-I122 HydrophobicContact CB-CG2 4.2Å; L8-I122 HydrophobicContact CD1-CG2 3.72Å; L8-I122 WeakPolarHBondContact O-CD1 3.17Å; T9-I122 HydrophobicContact CG2-CD1 3.73Å; I111-I122 HydrophobicContact CD1-CG1 4.45Å; N118-I122 HydrophobicContact CB-CD1 4.43Å; N118-I122 WeakPolarHBondContact O-CB 3.44Å; N118-I122 WeakPolarHBondContact O-CD1 3.03Å; N118-I122 WeakPolarHBondContact O-CG1 3.39Å; N118-I122 PolarHBondContact O-N 3.13Å; I122-L124 VanDerWaalsContact C-N 3.33Å; I122-L124 PolarHBondContact O-N 3.22Å; I122-A125 PolarHBondContact O-N 3.15Å; I122-K126 PolarHBondContact O-N 3.23Å; I122-A132 HydrophobicContact CG1-CB 4.44Å
123W91.8Very high92.8Very high22 Ų2228.1 Ų28.18%0.08314%0.143CC..Hα-helixtrans-60.1-44.8176.8-17986.6000111.5Q119 R120 A121 K126 Q127 A159 V160 A163 K164Q119-W123 WeakPolarHBondContact O-CB 3.33Å; Q119-W123 PolarHBondContact O-N 3.4Å; Q119-W123 VanDerWaalsContact O-N 3.14Å; R120-W123 PolarHBondContact O-N 2.52Å; A121-W123 VanDerWaalsContact C-N 3.34Å; A121-W123 PolarHBondContact O-N 3.46Å; W123-K126 PolarHBondContact O-N 3.2Å; W123-Q127 HydrophobicContact CD2-CG 4.36Å; W123-Q127 HydrophobicContact CE3-CG 4.24Å; W123-Q127 HydrophobicContact CH2-CG 3.75Å; W123-Q127 HydrophobicContact CZ2-CG 3.91Å; W123-Q127 HydrophobicContact CZ3-CG 3.94Å; W123-Q127 WeakPolarHBondContact O-CG 3.05Å; W123-Q127 PolarHBondContact O-N 3.43Å; W123-A159 HydrophobicContact CZ3-CB 4.42Å; W123-A159 WeakPolarHBondContact CZ3-O 3.32Å; W123-V160 HydrophobicContact CH2-CB 4.13Å; W123-V160 HydrophobicContact CH2-CG1 4.48Å; W123-V160 HydrophobicContact CH2-CG2 3.7Å; W123-V160 HydrophobicContact CZ2-CG2 3.88Å; W123-V160 HydrophobicContact CZ3-CG2 4.09Å; W123-A163 HydrophobicContact CH2-CB 4.03Å; W123-A163 HydrophobicContact CZ3-CB 3.89Å; W123-K164 HydrophobicContact CH2-CG 4.21Å; W123-K164 HydrophobicContact CZ2-CD 4.33Å; W123-K164 HydrophobicContact CZ2-CG 4.47Å
124L91.6Very high92.9Very high3 Ų328.1 Ų28.12%0.01614%0.143CC..Hα-helixtrans-60.2-50.1173.2-74.6168.8000111T93 L94 R120 A121 I122 K126 Q127 Y128 A159 A163T93-L124 HydrophobicContact CG2-CD1 3.83Å; L94-L124 HydrophobicContact CB-CD1 4.32Å; L94-L124 HydrophobicContact CD1-CD2 4.03Å; R120-L124 HydrophobicContact CG-CD1 4.38Å; R120-L124 PolarHBondContact O-N 3.47Å; A121-L124 WeakPolarHBondContact O-CB 3.26Å; A121-L124 PolarHBondContact O-N 3.16Å; I122-L124 VanDerWaalsContact C-N 3.33Å; I122-L124 PolarHBondContact O-N 3.22Å; L124-K126 PolarHBondContact O-N 3.18Å; L124-Q127 WeakPolarHBondContact O-CA 3.33Å; L124-Q127 WeakPolarHBondContact O-CB 3.24Å; L124-Q127 PolarHBondContact O-N 2.84Å; L124-Y128 WeakPolarHBondContact O-CD2 3.4Å; L124-Y128 PolarHBondContact O-N 3.22Å; L124-A159 HydrophobicContact CD1-CB 4.04Å; L124-A159 HydrophobicContact CD2-CB 3.93Å; L124-A159 HydrophobicContact CG-CB 4.07Å; L124-A163 HydrophobicContact CD2-CB 3.94Å
125A94Very high93.2Very high0 Ų028.7 Ų28.70%015%0.145CC..Hα-helixtrans-52.7-44.517900000111.9V97 A121 I122 Q127 Y128 G129 I130 A132V97-A125 HydrophobicContact CG1-CB 3.63Å; A121-A125 WeakPolarHBondContact O-CB 3.42Å; A121-A125 PolarHBondContact O-N 3.12Å; I122-A125 PolarHBondContact O-N 3.15Å; A125-Q127 VanDerWaalsContact C-N 3.31Å; A125-Q127 PolarHBondContact O-N 2.89Å; A125-Y128 CarbonylContact O-C 3.42Å; A125-Y128 PolarHBondContact O-N 2.96Å; A125-G129 PolarHBondContact O-N 2.91Å; A125-G129 VanDerWaalsContact O-N 3.15Å; A125-I130 CarbonylContact C-O 3.47Å; A125-I130 HydrophobicContact CB-CB 3.79Å; A125-I130 HydrophobicContact CB-CG2 4.02Å; A125-I130 PolarHBondContact O-N 3.21Å; A125-A132 HydrophobicContact CB-CB 3.45Å; A125-A132 VanDerWaalsContact CB-CB 3.45Å
126K92.5Very high93.4Very high151 Ų15125.1 Ų25.166%0.65713%0.129SC*.Hα-helixtrans-60.9-36.5176.5-172.9171.3-177.6170.80113I122 W123 L124 Y128 G129I122-K126 PolarHBondContact O-N 3.23Å; W123-K126 PolarHBondContact O-N 3.2Å; L124-K126 PolarHBondContact O-N 3.18Å; K126-Y128 PolarHBondContact O-N 3.27Å; K126-G129 PolarHBondContact O-N 2.77Å
127Q91.4Very high93.8Very high76 Ų7624 Ų2436%0.35513%0.125SC..Hα-helixtrans-67.3-23.7176.4-57.5-45.2-84.300112.5W123 L124 A125 A163 K164W123-Q127 HydrophobicContact CD2-CG 4.36Å; W123-Q127 HydrophobicContact CE3-CG 4.24Å; W123-Q127 HydrophobicContact CH2-CG 3.75Å; W123-Q127 HydrophobicContact CZ2-CG 3.91Å; W123-Q127 HydrophobicContact CZ3-CG 3.94Å; W123-Q127 WeakPolarHBondContact O-CG 3.05Å; W123-Q127 PolarHBondContact O-N 3.43Å; L124-Q127 WeakPolarHBondContact O-CA 3.33Å; L124-Q127 WeakPolarHBondContact O-CB 3.24Å; L124-Q127 PolarHBondContact O-N 2.84Å; A125-Q127 VanDerWaalsContact C-N 3.31Å; A125-Q127 PolarHBondContact O-N 2.89Å; Q127-A163 HydrophobicContact CB-CB 4.38Å; Q127-A163 HydrophobicContact CG-CB 4.23Å; Q127-K164 VanDerWaalsContact OE1-CE 3.28Å
128Y92.1Very high93.8Very high41 Ų4127.1 Ų27.116%0.16115%0.146CC..THydrogen-bonded Turntrans-105.713.6-179-70.8-91.6000113.4L94 V98 K101 L124 A125 K126 A163 R168L94-Y128 HydrophobicContact CD1-CD2 3.99Å; L94-Y128 HydrophobicContact CD1-CE1 4.49Å; L94-Y128 HydrophobicContact CD1-CE2 3.22Å; V98-Y128 HydrophobicContact CG1-CD1 4.33Å; V98-Y128 HydrophobicContact CG2-CD1 3.63Å; V98-Y128 HydrophobicContact CG2-CD2 3.79Å; V98-Y128 HydrophobicContact CG2-CE1 3.92Å; V98-Y128 HydrophobicContact CG2-CE2 4.1Å; V98-Y128 HydrophobicContact CG2-CG 3.57Å; K101-Y128 PolarHBondContact NZ-O 3.01Å; L124-Y128 WeakPolarHBondContact O-CD2 3.4Å; L124-Y128 PolarHBondContact O-N 3.22Å; A125-Y128 CarbonylContact O-C 3.42Å; A125-Y128 PolarHBondContact O-N 2.96Å; K126-Y128 PolarHBondContact O-N 3.27Å; Y128-A163 HydrophobicContact CE2-CB 4.12Å; Y128-R168 PolarHBondContact OH-O 2.91Å
129G93.8Very high93.2Very high52 Ų5230.6 Ų30.654%0.53617%0.165SC..THydrogen-bonded Turntrans61.745.217900000112.6K101 A125 K126K101-G129 PolarHBondContact NZ-O 3.35Å; A125-G129 PolarHBondContact O-N 2.91Å; A125-G129 VanDerWaalsContact O-N 3.15Å; K126-G129 PolarHBondContact O-N 2.77Å
130I95.4Very high92.3Very high9 Ų931.2 Ų31.25%0.04617%0.168CC..  trans-112.2128.6174.2-61.1160.8000107.6V97 K101 I109 A125 A132V97-I130 HydrophobicContact CG1-CD1 3.65Å; V97-I130 VanDerWaalsContact O-CD1 3.29Å; V97-I130 WeakPolarHBondContact O-CD1 3.07Å; K101-I130 HydrophobicContact CB-CD1 3.86Å; K101-I130 HydrophobicContact CB-CG1 3.94Å; K101-I130 HydrophobicContact CD-CD1 4.16Å; K101-I130 HydrophobicContact CD-CG1 3.62Å; K101-I130 HydrophobicContact CG-CG1 4.42Å; I109-I130 HydrophobicContact CD1-CG2 4.04Å; I109-I130 HydrophobicContact CG1-CG2 4.05Å; A125-I130 CarbonylContact C-O 3.47Å; A125-I130 HydrophobicContact CB-CB 3.79Å; A125-I130 HydrophobicContact CB-CG2 4.02Å; A125-I130 PolarHBondContact O-N 3.21Å; I130-A132 HydrophobicContact CG2-CB 4.41Å; I130-A132 PolarHBondContact O-N 2.91Å
131D96.1Very high91Very high67 Ų6737 Ų3736%0.35820%0.201SC..EExtended strand (participates in β ladder)trans-81.498.2171.2179.514.4000109R19 N107 H108 I109R19-D131 IonicContact CZ-OD2 3.82Å; R19-D131 IonicContact NH1-OD2 2.79Å; R19-D131 PolarHBondContact NH1-OD2 3.46Å; R19-D131 IonicContact NH2-OD1 2.82Å; R19-D131 PolarHBondContact NH2-OD1 2.68Å; R19-D131 VanDerWaalsContact NH2-OD1 3.1Å; R19-D131 IonicContact NH2-OD2 3.92Å; R19-D131 PolarHBondContact NH2-OD2 2.65Å; N107-D131 PolarHBondContact O-N 3.14Å; H108-D131 VanDerWaalsContact CA-O 3.31Å; H108-D131 WeakPolarHBondContact CA-O 3.36Å; H108-D131 IonicContact CD2-OD2 3.92Å; H108-D131 PolarHBondContact CD2-OD2 3.09Å; H108-D131 VanDerWaalsContact CD2-OD2 3.31Å; I109-D131 PolarHBondContact N-O 3.44Å
132A96.9Very high89.2Confident5 Ų545.6 Ų45.64%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-116132.5-178.100000111.7I109 I111 I122 A125 I130I109-A132 HydrophobicContact CD1-CB 4.44Å; I109-A132 HydrophobicContact CG1-CB 3.96Å; I109-A132 WeakPolarHBondContact O-CA 3.44Å; I111-A132 HydrophobicContact CD1-CB 3.71Å; I111-A132 HydrophobicContact CG1-CB 4.17Å; I122-A132 HydrophobicContact CG1-CB 4.44Å; A125-A132 HydrophobicContact CB-CB 3.45Å; A125-A132 VanDerWaalsContact CB-CB 3.45Å; I130-A132 HydrophobicContact CG2-CB 4.41Å; I130-A132 PolarHBondContact O-N 2.91Å
133I97.4Very high87.2Confident3 Ų355.1 Ų55.12%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-109.5157.3165.159.1167.8000110W10 V16 P17 R19 I109 T110 I111W10-I133 HydrophobicContact CE3-CB 3.89Å; W10-I133 HydrophobicContact CE3-CD1 4.42Å; W10-I133 HydrophobicContact CE3-CG2 4.34Å; W10-I133 HydrophobicContact CH2-CB 3.88Å; W10-I133 HydrophobicContact CH2-CG2 3.38Å; W10-I133 HydrophobicContact CZ3-CB 3.21Å; W10-I133 HydrophobicContact CZ3-CD1 4.25Å; W10-I133 HydrophobicContact CZ3-CG1 4.3Å; W10-I133 HydrophobicContact CZ3-CG2 3.27Å; V16-I133 HydrophobicContact CG2-CD1 3.98Å; P17-I133 HydrophobicContact CB-CD1 4.11Å; P17-I133 HydrophobicContact CG-CD1 4.28Å; R19-I133 HydrophobicContact CG-CD1 3.85Å; R19-I133 HydrophobicContact CG-CG1 4.09Å; I109-I133 PolarHBondContact O-N 3.37Å; T110-I133 CarbonylContact C-O 3.54Å; T110-I133 WeakPolarHBondContact CA-O 3.4Å; T110-I133 HydrophobicContact CG2-CD1 4.47Å; T110-I133 HydrophobicContact CG2-CG1 4.25Å; T110-I133 WeakPolarHBondContact OG1-CD1 3.36Å; T110-I133 WeakPolarHBondContact OG1-CG1 3.49Å; I111-I133 PolarHBondContact N-O 2.97Å
134G97.1Very high85.6Confident0 Ų057.7 Ų57.70%030%0.297CS..EExtended strand (participates in β ladder)trans-115.4137.4179.300000112.5L8 T9 W10 I111L8-G134 PolarHBondContact O-N 2.92Å; T9-G134 CarbonylContact C-O 3.54Å; T9-G134 VanDerWaalsContact CA-O 3.27Å; T9-G134 WeakPolarHBondContact CA-O 3.35Å; W10-G134 PolarHBondContact N-O 3.29Å; I111-G134 CarbonylContact O-C 3.37Å; I111-G134 WeakPolarHBondContact O-CA 3.31Å
135F97.7Very high84.2Confident11 Ų1158.7 Ų58.75%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-115.8121.9169.4-163.2-96.3000110.2W10 D12 V13 V16 T40 L44 T110 I111 S113 N118 A137W10-F135 HydrophobicContact CB-CD2 3.85Å; W10-F135 HydrophobicContact CB-CE2 4.22Å; D12-F135 WeakPolarHBondContact O-CE2 3Å; V13-F135 HydrophobicContact CB-CZ 4.02Å; V16-F135 HydrophobicContact CB-CD2 3.76Å; V16-F135 HydrophobicContact CB-CE2 3.92Å; V16-F135 HydrophobicContact CG1-CD2 3.92Å; V16-F135 HydrophobicContact CG1-CE2 3.85Å; V16-F135 HydrophobicContact CG2-CD2 3.81Å; V16-F135 HydrophobicContact CG2-CE2 4.47Å; T40-F135 HydrophobicContact CG2-CD1 3.32Å; T40-F135 HydrophobicContact CG2-CE1 3.65Å; L44-F135 HydrophobicContact CD1-CB 3.8Å; L44-F135 HydrophobicContact CD1-CD1 3.74Å; L44-F135 HydrophobicContact CD1-CG 3.82Å; L44-F135 HydrophobicContact CD2-CB 4.48Å; L44-F135 HydrophobicContact CD2-CD1 3.96Å; L44-F135 HydrophobicContact CD2-CD2 3.91Å; L44-F135 HydrophobicContact CD2-CE1 4.12Å; L44-F135 HydrophobicContact CD2-CE2 4.08Å; L44-F135 HydrophobicContact CD2-CG 3.84Å; L44-F135 HydrophobicContact CD2-CZ 4.19Å; L44-F135 HydrophobicContact CG-CD1 3.9Å; L44-F135 HydrophobicContact CG-CE1 4.19Å; L44-F135 HydrophobicContact CG-CG 4.16Å; T110-F135 HydrophobicContact CG2-CB 3.89Å; I111-F135 PolarHBondContact O-N 2.92Å; S113-F135 PolarHBondContact N-O 3.1Å; N118-F135 PolarHBondContact ND2-N 3.48Å; N118-F135 PolarHBondContact ND2-O 2.91Å; F135-A137 PolarHBondContact O-N 3.5Å
136N95.3Very high82.7Confident16 Ų1665.8 Ų65.89%0.08634%0.339CS..EExtended strand (participates in β ladder)trans-85.4112.3-166-60.3-24.2000110.6W10 S11 S113 E115 N118W10-N136 WeakPolarHBondContact O-CB 3.37Å; W10-N136 PolarHBondContact O-N 3.26Å; W10-N136 PolarHBondContact O-ND2 3.38Å; S11-N136 WeakPolarHBondContact OG-CB 3.17Å; S11-N136 PolarHBondContact OG-ND2 3.47Å; S11-N136 VanDerWaalsContact OG-ND2 3.12Å; S113-N136 CarbonylContact O-C 3.27Å; S113-N136 WeakPolarHBondContact O-CA 3.46Å; E115-N136 VanDerWaalsContact CA-OD1 3.27Å; E115-N136 WeakPolarHBondContact CA-OD1 3.39Å; E115-N136 HydrophobicContact CB-CB 4.28Å; E115-N136 WeakPolarHBondContact CG-ND2 3.49Å; N118-N136 PolarHBondContact ND2-OD1 2.89Å
137A94.2Very high81.5Confident2 Ų267.5 Ų67.52%0.01734%0.343CS..PPolyproline II helixtrans-67.7134.9163.900000109.4R37 T40 S113 F135 D139R37-A137 HydrophobicContact CB-CB 4.47Å; R37-A137 HydrophobicContact CG-CB 3.93Å; T40-A137 HydrophobicContact CG2-CB 4.18Å; T40-A137 VanDerWaalsContact OG1-CA 3.32Å; T40-A137 WeakPolarHBondContact OG1-CA 2.96Å; T40-A137 WeakPolarHBondContact OG1-CB 3.26Å; S113-A137 PolarHBondContact O-N 2.79Å; F135-A137 PolarHBondContact O-N 3.5Å; A137-D139 PolarHBondContact O-N 2.93Å
138P90.1Very high80.3Confident79 Ų7965.3 Ų65.351%0.51334%0.335SS..PPolyproline II helixtrans-52.3131.6-175.6-28.734.5000112.8R36R36-P138 WeakPolarHBondContact CD-O 3.4Å; R36-P138 VanDerWaalsContact NH1-C 3.32Å; R36-P138 PolarHBondContact NH1-O 3.41Å
139D80.5Confident79Confident73 Ų7369 Ų6939%0.3935%0.353SS..PPolyproline II helixtrans-78.7154.7179.1-151.7-20.2000111.6Y33 R36 A137Y33-D139 WeakPolarHBondContact CE1-OD1 2.94Å; Y33-D139 PolarHBondContact OH-OD1 3.4Å; R36-D139 PolarHBondContact NH1-O 2.72Å; A137-D139 PolarHBondContact O-N 2.93Å
140L72.5Confident77.9Confident24 Ų2470.4 Ų70.413%0.12635%0.348CS..PPolyproline II helixtrans-67.8136.8173.2-58.3168.4000108.5R32 Y33 M142R32-L140 HydrophobicContact CB-CD1 3.69Å; R32-L140 HydrophobicContact CB-CD2 3.68Å; R32-L140 HydrophobicContact CB-CG 4.31Å; Y33-L140 HydrophobicContact CD1-CD1 4.22Å; Y33-L140 HydrophobicContact CD1-CG 4.17Å; Y33-L140 HydrophobicContact CD2-CD1 4.32Å; Y33-L140 HydrophobicContact CE1-CB 4.43Å; Y33-L140 HydrophobicContact CE1-CD1 3.74Å; Y33-L140 HydrophobicContact CE1-CG 3.67Å; Y33-L140 HydrophobicContact CE2-CD1 3.82Å; L140-M142 PolarHBondContact O-N 2.95Å
141N63.5Low76.9Confident138 Ų13877.2 Ų77.274%0.73837%0.373SS*.  trans-42.8139.8-179.5-71-9.4000112.2K143N141-K143 PolarHBondContact O-N 2.96Å
142M54.9Low75.6Confident180 Ų18074.3 Ų74.389%0.88736%0.357SS*.G310 helixtrans-43.8-10.3-164.5-72.4172.367.500118.6L140 H144 G145L140-M142 PolarHBondContact O-N 2.95Å; M142-H144 PolarHBondContact O-N 3.45Å; M142-G145 PolarHBondContact O-N 3.46Å
143K53.5Low74.1Confident205 Ų20580.5 Ų80.589%0.89138%0.383SS*.G310 helixtrans-61.2-12.8-177.7-67.3-168.4175.6-174.60114.8N141N141-K143 PolarHBondContact O-N 2.96Å
144H58.1Low73.1Confident77 Ų7785.7 Ų85.736%0.35641%0.411SS..G310 helixtrans-102.97.3175.2-59.683.3000113.7R32 M142 F146 Y147 T148R32-H144 PolarHBondContact NH2-CD2 2.85Å; R32-H144 PolarHBondContact NH2-CE1 3.49Å; R32-H144 PolarHBondContact NH2-NE2 1.99Å; M142-H144 PolarHBondContact O-N 3.45Å; H144-F146 VanDerWaalsContact C-N 3.33Å; H144-F146 PolarHBondContact O-N 2.81Å; H144-F146 VanDerWaalsContact O-N 3.16Å; H144-Y147 PolarHBondContact O-N 3.25Å; H144-T148 PolarHBondContact O-N 2.93Å; H144-T148 PolarHBondContact O-OG1 3.13Å
145G61.6Low71.8Confident24 Ų2486.8 Ų86.825%0.24742%0.42CS..Hα-helixtrans-51.1-45-167.800000114.3M142 Q149M142-G145 PolarHBondContact O-N 3.46Å; G145-Q149 WeakPolarHBondContact O-CB 3.44Å; G145-Q149 WeakPolarHBondContact O-CG 3.18Å; G145-Q149 PolarHBondContact O-N 2.93Å
146F61.8Low70.7Confident149 Ų14989.8 Ų89.865%0.65443%0.431SS*.Hα-helixtrans-67.5-52.5-173.8-174.8-101.2000113.8H144 T148 Q149 L150H144-F146 VanDerWaalsContact C-N 3.33Å; H144-F146 PolarHBondContact O-N 2.81Å; H144-F146 VanDerWaalsContact O-N 3.16Å; F146-T148 PolarHBondContact O-N 3.25Å; F146-Q149 PolarHBondContact O-N 3.31Å; F146-L150 PolarHBondContact O-N 3.2Å
147Y67Low69.4Low187 Ų18793.1 Ų93.173%0.73345%0.451SS*.Hα-helixtrans-64.4-41.5179.8-74.6-77.1000111.8H144 L150 R151H144-Y147 PolarHBondContact O-N 3.25Å; Y147-L150 PolarHBondContact O-N 2.88Å; Y147-R151 WeakPolarHBondContact O-CB 3.41Å; Y147-R151 PolarHBondContact O-N 2.99Å
148T66.4Low68.4Low30 Ų3095.6 Ų95.618%0.18447%0.468CS..Hα-helixtrans-61.2-47174.5-60.20000110.2F116 H144 F146 L150 R151 E152F116-T148 HydrophobicContact CD1-CG2 4.11Å; F116-T148 HydrophobicContact CE1-CG2 3.71Å; F116-T148 HydrophobicContact CZ-CG2 3.98Å; H144-T148 PolarHBondContact O-N 2.93Å; H144-T148 PolarHBondContact O-OG1 3.13Å; F146-T148 PolarHBondContact O-N 3.25Å; T148-L150 PolarHBondContact O-N 3.06Å; T148-R151 PolarHBondContact O-N 3.13Å; T148-E152 HydrophobicContact CG2-CG 4.34Å; T148-E152 VanDerWaalsContact O-CB 3.23Å; T148-E152 WeakPolarHBondContact O-CB 3.32Å; T148-E152 WeakPolarHBondContact O-CG 3.19Å; T148-E152 PolarHBondContact O-N 3.17Å
149Q66.3Low67.5Low117 Ų11792 Ų9255%0.54745%0.446SS..Hα-helixtrans-61.4-41.4177.4-76.7172.73500112.8G145 F146 E152 K153G145-Q149 WeakPolarHBondContact O-CB 3.44Å; G145-Q149 WeakPolarHBondContact O-CG 3.18Å; G145-Q149 PolarHBondContact O-N 2.93Å; F146-Q149 PolarHBondContact O-N 3.31Å; Q149-E152 PolarHBondContact O-N 3.03Å; Q149-K153 WeakPolarHBondContact O-CG 3.42Å; Q149-K153 PolarHBondContact O-N 3.38Å
150L69.5Low67.2Low82 Ų8291.3 Ų91.343%0.42944%0.444SS..Hα-helixtrans-65.8-49.3178.3-177.763.1000111.2F146 Y147 T148 E152 K153 L154F146-L150 PolarHBondContact O-N 3.2Å; Y147-L150 PolarHBondContact O-N 2.88Å; T148-L150 PolarHBondContact O-N 3.06Å; L150-E152 PolarHBondContact O-N 3.04Å; L150-K153 WeakPolarHBondContact O-CB 3.28Å; L150-K153 PolarHBondContact O-N 3.44Å; L150-K153 VanDerWaalsContact O-N 3.15Å; L150-L154 WeakPolarHBondContact O-CG 3.37Å; L150-L154 PolarHBondContact O-N 3.03Å
151R74.6Confident67.1Low152 Ų15293.4 Ų93.457%0.57445%0.454SS*.Hα-helixtrans-56.6-40175.2-169.4-172.1110.5990.7111Y147 T148 L154 A155Y147-R151 WeakPolarHBondContact O-CB 3.41Å; Y147-R151 PolarHBondContact O-N 2.99Å; T148-R151 PolarHBondContact O-N 3.13Å; R151-L154 PolarHBondContact O-N 3.2Å; R151-A155 VanDerWaalsContact O-CB 3.29Å; R151-A155 WeakPolarHBondContact O-CB 3.5Å; R151-A155 PolarHBondContact O-N 3.39Å
152E68.4Low67.4Low6 Ų687.6 Ų87.63%0.02842%0.424CS..Hα-helixtrans-69.1-38.8178.1-77.7-58.6127.100113.4F116 R120 T148 Q149 L150 A155 R156F116-E152 HydrophobicContact CB-CG 3.95Å; F116-E152 HydrophobicContact CD2-CG 3.38Å; F116-E152 WeakPolarHBondContact CD2-OE1 3.11Å; F116-E152 VanDerWaalsContact CD2-OE2 3.25Å; F116-E152 WeakPolarHBondContact CD2-OE2 3.46Å; F116-E152 VanDerWaalsContact CE2-CD 3.44Å; F116-E152 HydrophobicContact CE2-CG 3.89Å; F116-E152 WeakPolarHBondContact CE2-OE1 3.45Å; F116-E152 HydrophobicContact CG-CG 3.72Å; R120-E152 IonicContact CZ-OE1 2.71Å; R120-E152 IonicContact CZ-OE2 3.09Å; R120-E152 IonicContact NH1-OE1 2.65Å; R120-E152 PolarHBondContact NH1-OE1 2.88Å; R120-E152 IonicContact NH1-OE2 2.7Å; R120-E152 PolarHBondContact NH1-OE2 3.09Å; R120-E152 IonicContact NH2-OE1 3.39Å; T148-E152 HydrophobicContact CG2-CG 4.34Å; T148-E152 VanDerWaalsContact O-CB 3.23Å; T148-E152 WeakPolarHBondContact O-CB 3.32Å; T148-E152 WeakPolarHBondContact O-CG 3.19Å; T148-E152 PolarHBondContact O-N 3.17Å; Q149-E152 PolarHBondContact O-N 3.03Å; L150-E152 PolarHBondContact O-N 3.04Å; E152-A155 PolarHBondContact O-N 2.84Å; E152-R156 WeakPolarHBondContact O-CB 3.26Å; E152-R156 WeakPolarHBondContact O-CD 3.01Å; E152-R156 WeakPolarHBondContact O-CG 3.17Å; E152-R156 PolarHBondContact O-N 3Å
153K66.3Low68.1Low135 Ų13579.4 Ų79.459%0.58739%0.385SS*.Hα-helixtrans-59.5-48.2171-75.7177.9-178.3-178.40110.7Q149 L150 A155 R156 V157Q149-K153 WeakPolarHBondContact O-CG 3.42Å; Q149-K153 PolarHBondContact O-N 3.38Å; L150-K153 WeakPolarHBondContact O-CB 3.28Å; L150-K153 PolarHBondContact O-N 3.44Å; L150-K153 VanDerWaalsContact O-N 3.15Å; K153-A155 PolarHBondContact O-N 3.06Å; K153-R156 PolarHBondContact O-N 3.07Å; K153-V157 WeakPolarHBondContact O-CG2 2.91Å; K153-V157 PolarHBondContact O-N 2.63Å
154L76.2Confident68.8Low112 Ų11274.4 Ų74.459%0.58636%0.363SS*.Hα-helixtrans-62.3-43.8178.4-67.1177.6000112.1L150 R151 R156 V157 S158L150-L154 WeakPolarHBondContact O-CG 3.37Å; L150-L154 PolarHBondContact O-N 3.03Å; R151-L154 PolarHBondContact O-N 3.2Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.33Å; L154-V157 PolarHBondContact O-N 3.47Å; L154-S158 PolarHBondContact O-N 3.49Å
155A70.5Confident69.1Low23 Ų2376.2 Ų76.219%0.1937%0.374CS..Hα-helixtrans-68.4-31.9178.400000112.8R120 R151 E152 K153 A159R120-A155 WeakPolarHBondContact CD-O 3.13Å; R151-A155 VanDerWaalsContact O-CB 3.29Å; R151-A155 WeakPolarHBondContact O-CB 3.5Å; R151-A155 PolarHBondContact O-N 3.39Å; E152-A155 PolarHBondContact O-N 2.84Å; K153-A155 PolarHBondContact O-N 3.06Å; A155-A159 VanDerWaalsContact O-CB 3.32Å; A155-A159 WeakPolarHBondContact O-CB 3.3Å; A155-A159 PolarHBondContact O-N 3.24Å
156R72.9Confident69.6Low75 Ų7579.2 Ų79.228%0.28338%0.384SS..Hα-helixtrans-66.9-42.3170.9-73.9167.3-174.3-161.5-6.4111.4E152 K153 L154 A159 V160E152-R156 WeakPolarHBondContact O-CB 3.26Å; E152-R156 WeakPolarHBondContact O-CD 3.01Å; E152-R156 WeakPolarHBondContact O-CG 3.17Å; E152-R156 PolarHBondContact O-N 3Å; K153-R156 PolarHBondContact O-N 3.07Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.33Å; R156-A159 PolarHBondContact O-N 2.9Å; R156-V160 VanDerWaalsContact O-CG2 3.3Å; R156-V160 WeakPolarHBondContact O-CG2 3.4Å; R156-V160 PolarHBondContact O-N 3.4Å
157V68.4Low70.1Confident85 Ų8578.1 Ų78.152%0.51538%0.38SS..Hα-helixtrans-61.5-47.7174.4172.20000110.2K153 L154 A159 V160 I161K153-V157 WeakPolarHBondContact O-CG2 2.91Å; K153-V157 PolarHBondContact O-N 2.63Å; L154-V157 PolarHBondContact O-N 3.47Å; V157-A159 PolarHBondContact O-N 2.88Å; V157-V160 PolarHBondContact O-N 3.09Å; V157-V160 VanDerWaalsContact O-N 3.16Å; V157-I161 HydrophobicContact CG1-CD1 3.71Å; V157-I161 HydrophobicContact CG1-CG1 4.37Å; V157-I161 VanDerWaalsContact O-CG1 3.32Å; V157-I161 WeakPolarHBondContact O-CG1 3.46Å; V157-I161 PolarHBondContact O-N 2.92Å
158S74.3Confident70.4Confident54 Ų5475.5 Ų75.538%0.37837%0.369SS..Hα-helixtrans-56.1-49.6174.5-169.50000111.5L154 V160 I161 D162L154-S158 PolarHBondContact O-N 3.49Å; S158-V160 VanDerWaalsContact C-N 3.26Å; S158-V160 PolarHBondContact O-N 2.89Å; S158-I161 PolarHBondContact O-N 3.16Å; S158-I161 VanDerWaalsContact O-N 3.11Å; S158-D162 WeakPolarHBondContact O-CB 3Å; S158-D162 PolarHBondContact O-N 3.21Å; S158-D162 VanDerWaalsContact O-OD2 3.07Å; S158-D162 PolarHBondContact OG-OD2 2.97Å; S158-D162 VanDerWaalsContact OG-OD2 3.13Å
159A71.5Confident70.8Confident5 Ų579 Ų794%0.04138%0.384CS..Hα-helixtrans-57.6-39.5178.400000112.5R120 W123 L124 A155 R156 V157 A163R120-A159 HydrophobicContact CG-CB 3.93Å; W123-A159 HydrophobicContact CZ3-CB 4.42Å; W123-A159 WeakPolarHBondContact CZ3-O 3.32Å; L124-A159 HydrophobicContact CD1-CB 4.04Å; L124-A159 HydrophobicContact CD2-CB 3.93Å; L124-A159 HydrophobicContact CG-CB 4.07Å; A155-A159 VanDerWaalsContact O-CB 3.32Å; A155-A159 WeakPolarHBondContact O-CB 3.3Å; A155-A159 PolarHBondContact O-N 3.24Å; R156-A159 PolarHBondContact O-N 2.9Å; V157-A159 PolarHBondContact O-N 2.88Å; A159-A163 VanDerWaalsContact O-CB 3.32Å; A159-A163 WeakPolarHBondContact O-CB 2.82Å; A159-A163 PolarHBondContact O-N 2.79Å
160V73.6Confident71Confident58 Ų5874 Ų7435%0.35236%0.361SS..Hα-helixtrans-66.1-46.4175.7172.80000111.3W123 R156 V157 S158 A163 K164W123-V160 HydrophobicContact CH2-CB 4.13Å; W123-V160 HydrophobicContact CH2-CG1 4.48Å; W123-V160 HydrophobicContact CH2-CG2 3.7Å; W123-V160 HydrophobicContact CZ2-CG2 3.88Å; W123-V160 HydrophobicContact CZ3-CG2 4.09Å; R156-V160 VanDerWaalsContact O-CG2 3.3Å; R156-V160 WeakPolarHBondContact O-CG2 3.4Å; R156-V160 PolarHBondContact O-N 3.4Å; V157-V160 PolarHBondContact O-N 3.09Å; V157-V160 VanDerWaalsContact O-N 3.16Å; S158-V160 VanDerWaalsContact C-N 3.26Å; S158-V160 PolarHBondContact O-N 2.89Å; V160-A163 PolarHBondContact O-N 3.17Å; V160-K164 WeakPolarHBondContact O-CB 3.25Å; V160-K164 PolarHBondContact O-N 3.07Å
161I69.1Low71.1Confident67 Ų6776.5 Ų76.534%0.34437%0.369SS..Iπ-helixtrans-60.6-48.5177.1-65.9167.2000109.9V157 S158 A163 I165 L166V157-I161 HydrophobicContact CG1-CD1 3.71Å; V157-I161 HydrophobicContact CG1-CG1 4.37Å; V157-I161 VanDerWaalsContact O-CG1 3.32Å; V157-I161 WeakPolarHBondContact O-CG1 3.46Å; V157-I161 PolarHBondContact O-N 2.92Å; S158-I161 PolarHBondContact O-N 3.16Å; S158-I161 VanDerWaalsContact O-N 3.11Å; I161-A163 PolarHBondContact O-N 2.89Å; I161-I165 HydrophobicContact CG1-CD1 4.13Å; I161-I165 HydrophobicContact CG2-CB 4.4Å; I161-I165 WeakPolarHBondContact O-CA 3.36Å; I161-I165 WeakPolarHBondContact O-CB 3.47Å; I161-I165 PolarHBondContact O-N 3.4Å; I161-L166 HydrophobicContact CG2-CD1 3.83Å; I161-L166 HydrophobicContact CG2-CG 3.97Å; I161-L166 PolarHBondContact O-N 3.47Å
162D71Confident70.9Confident17 Ų1775.5 Ų75.59%0.09137%0.366CS..Iπ-helixtrans-60.6-43.3-178-66.8-31.7000112.1L94 S158 H167 R168L94-D162 HydrophobicContact CD2-CB 4.13Å; S158-D162 WeakPolarHBondContact O-CB 3Å; S158-D162 PolarHBondContact O-N 3.21Å; S158-D162 VanDerWaalsContact O-OD2 3.07Å; S158-D162 PolarHBondContact OG-OD2 2.97Å; S158-D162 VanDerWaalsContact OG-OD2 3.13Å; D162-H167 PolarHBondContact O-N 2.55Å; D162-H167 VanDerWaalsContact O-N 3.17Å; D162-R168 HydrophobicContact CB-CB 4.45Å; D162-R168 PolarHBondContact O-N 3.39Å; D162-R168 WeakPolarHBondContact OD1-CD 3.36Å; D162-R168 IonicContact OD1-CZ 3.31Å; D162-R168 IonicContact OD1-NE 3.21Å; D162-R168 IonicContact OD1-NH1 2.77Å; D162-R168 PolarHBondContact OD1-NH1 2.98Å
163A69.2Low71.1Confident8 Ų878.3 Ų78.37%0.06638%0.381CS..Iπ-helixtrans-84.1-44.4-176.400000113.9W123 L124 Q127 Y128 A159 V160 I161 H167W123-A163 HydrophobicContact CH2-CB 4.03Å; W123-A163 HydrophobicContact CZ3-CB 3.89Å; L124-A163 HydrophobicContact CD2-CB 3.94Å; Q127-A163 HydrophobicContact CB-CB 4.38Å; Q127-A163 HydrophobicContact CG-CB 4.23Å; Y128-A163 HydrophobicContact CE2-CB 4.12Å; A159-A163 VanDerWaalsContact O-CB 3.32Å; A159-A163 WeakPolarHBondContact O-CB 2.82Å; A159-A163 PolarHBondContact O-N 2.79Å; V160-A163 PolarHBondContact O-N 3.17Å; I161-A163 PolarHBondContact O-N 2.89Å; A163-H167 PolarHBondContact O-ND1 2.79Å
164K67.4Low71.3Confident99 Ų9974.8 Ų74.843%0.4338%0.382SS..Iπ-helixtrans-96.4-28.5-171.4-73.4-166.5167.6-166.40114.7W123 Q127 V160W123-K164 HydrophobicContact CH2-CG 4.21Å; W123-K164 HydrophobicContact CZ2-CD 4.33Å; W123-K164 HydrophobicContact CZ2-CG 4.47Å; Q127-K164 VanDerWaalsContact OE1-CE 3.28Å; V160-K164 WeakPolarHBondContact O-CB 3.25Å; V160-K164 PolarHBondContact O-N 3.07Å
165I66.4Low71.3Confident116 Ų11674.7 Ų74.760%0.59539%0.389SS*.Iπ-helixtrans-102.7-50.6-175.9-57.1179.3000109.8I161I161-I165 HydrophobicContact CG1-CD1 4.13Å; I161-I165 HydrophobicContact CG2-CB 4.4Å; I161-I165 WeakPolarHBondContact O-CA 3.36Å; I161-I165 WeakPolarHBondContact O-CB 3.47Å; I161-I165 PolarHBondContact O-N 3.4Å
166L70.9Confident71.7Confident86 Ų8678 Ų7845%0.4541%0.41SS..SBendtrans-90.1-11.8-174.6-63177.1000113.9I161 R168I161-L166 HydrophobicContact CG2-CD1 3.83Å; I161-L166 HydrophobicContact CG2-CG 3.97Å; I161-L166 PolarHBondContact O-N 3.47Å; L166-R168 HydrophobicContact CB-CG 3.86Å; L166-R168 HydrophobicContact CD1-CG 4.44Å; L166-R168 PolarHBondContact O-N 3.17Å
167H72.4Confident72.1Confident126 Ų12676.8 Ų76.858%0.58341%0.411SS*.  trans45.238.8-175.1-62.9-63000113.5D162 A163 Q169D162-H167 PolarHBondContact O-N 2.55Å; D162-H167 VanDerWaalsContact O-N 3.17Å; A163-H167 PolarHBondContact O-ND1 2.79Å; H167-Q169 PolarHBondContact O-N 3.14Å; H167-Q169 PolarHBondContact O-NE2 3.14Å
168R73.5Confident72.9Confident133 Ų13379.9 Ų79.950%0.50242%0.422SS..PPolyproline II helixtrans-58.3129.1-171-86.3-172.4165.8150.1-5.6110.8L94 Y128 D162 L166L94-R168 HydrophobicContact CD2-CB 3.66Å; Y128-R168 PolarHBondContact OH-O 2.91Å; D162-R168 HydrophobicContact CB-CB 4.45Å; D162-R168 PolarHBondContact O-N 3.39Å; D162-R168 WeakPolarHBondContact OD1-CD 3.36Å; D162-R168 IonicContact OD1-CZ 3.31Å; D162-R168 IonicContact OD1-NE 3.21Å; D162-R168 IonicContact OD1-NH1 2.77Å; D162-R168 PolarHBondContact OD1-NH1 2.98Å; L166-R168 HydrophobicContact CB-CG 3.86Å; L166-R168 HydrophobicContact CD1-CG 4.44Å; L166-R168 PolarHBondContact O-N 3.17Å
169Q74.5Confident73.4Confident104 Ų10478.2 Ų78.249%0.48641%0.408SS..PPolyproline II helixtrans-91.1157.9168.7-61.3-58.4-44.800109.6H167 K171H167-Q169 PolarHBondContact O-N 3.14Å; H167-Q169 PolarHBondContact O-NE2 3.14Å; Q169-K171 PolarHBondContact O-N 3.48Å
170P71.7Confident74Confident12 Ų1278.4 Ų78.48%0.07841%0.411CS..PPolyproline II helixtrans-56.1141.3175.8-27.737000111.9D95 V98 R99 Y172 L173D95-P170 WeakPolarHBondContact OD1-CA 3.25Å; V98-P170 HydrophobicContact CB-CG 3.59Å; V98-P170 HydrophobicContact CG1-CG 3.36Å; R99-P170 HydrophobicContact CG-CB 3.85Å; R99-P170 HydrophobicContact CG-CG 4.19Å; P170-Y172 PolarHBondContact O-N 3.25Å; P170-L173 HydrophobicContact CB-CD2 3.91Å; P170-L173 HydrophobicContact CB-CG 4.5Å; P170-L173 HydrophobicContact CG-CD2 3.88Å
171K70.6Confident74.3Confident134 Ų13479.7 Ų79.758%0.58342%0.42SS*.SBendtrans-59.5-36.2-176-168.6-178.2174.5-174.10112.5F91 D95 Q169F91-K171 HydrophobicContact CD2-CB 4.16Å; F91-K171 HydrophobicContact CD2-CD 4.21Å; F91-K171 HydrophobicContact CE2-CD 4.46Å; D95-K171 PolarHBondContact OD1-N 3.41Å; Q169-K171 PolarHBondContact O-N 3.48Å
172Y71.4Confident74.6Confident130 Ų13086.1 Ų86.151%0.5145%0.446SS..  trans-137.2141.5174.5-59.9-85.8000108.4F91 R99 P170F91-Y172 HydrophobicContact CD2-CD2 4.33Å; F91-Y172 AromaticContact CE2-CD2 3.5Å; F91-Y172 HydrophobicContact CE2-CD2 3.5Å; F91-Y172 VanDerWaalsContact CE2-CD2 3.5Å; F91-Y172 AromaticContact CE2-CE2 3.9Å; F91-Y172 HydrophobicContact CE2-CE2 3.9Å; F91-Y172 HydrophobicContact CZ-CD2 4.11Å; F91-Y172 HydrophobicContact CZ-CE2 4.15Å; R99-Y172 WeakPolarHBondContact CD-O 3.02Å; R99-Y172 VanDerWaalsContact NH1-C 3.34Å; R99-Y172 PolarHBondContact NH1-O 3.46Å; P170-Y172 PolarHBondContact O-N 3.25Å
173L72.5Confident74.7Confident66 Ų6686.6 Ų86.635%0.34645%0.451SS..  trans-106.3-42.1171.5-71.8173.9000110.9R99 K102 V103 P170R99-L173 HydrophobicContact CG-CD2 4.31Å; R99-L173 VanDerWaalsContact NH1-CA 3.26Å; R99-L173 PolarHBondContact NH1-O 2.92Å; K102-L173 HydrophobicContact CB-CD2 3.71Å; K102-L173 HydrophobicContact CD-CD1 4.13Å; K102-L173 HydrophobicContact CD-CD2 3.87Å; K102-L173 HydrophobicContact CG-CD2 4.42Å; V103-L173 WeakPolarHBondContact CG1-O 3.35Å; V103-L173 HydrophobicContact CG2-CB 4.33Å; V103-L173 HydrophobicContact CG2-CD2 3.92Å; V103-L173 WeakPolarHBondContact CG2-O 3.48Å; P170-L173 HydrophobicContact CB-CD2 3.91Å; P170-L173 HydrophobicContact CB-CG 4.5Å; P170-L173 HydrophobicContact CG-CD2 3.88Å
174G70.2Confident74.6Confident60 Ų6095.3 Ų95.362%0.61949%0.49SS*.  trans64.2-174.5-179.500000112.6
175P75.7Confident74.6Confident111 Ų11194.2 Ų94.272%0.72149%0.486SS*.SBendtrans-68.6151.3177.829.5-34.5000111.6V103V103-P175 WeakPolarHBondContact CG1-O 3.33Å
176S79Confident74.5Confident92 Ų9289.4 Ų89.464%0.64347%0.466SS*.  trans-69.3135.3174.3-164.60000110.4V103V103-S176 CarbonylContact O-C 3.53Å; V103-S176 VanDerWaalsContact O-CA 3.3Å; V103-S176 WeakPolarHBondContact O-CA 3.32Å; V103-S176 PolarHBondContact O-OG 3.25Å
177V81.1Confident74.4Confident50 Ų5086 Ų8630%0.30345%0.448SS..  trans-116.4118174.5179.50000107.2F85 V103 F104F85-V177 HydrophobicContact CD1-CG1 4.04Å; F85-V177 HydrophobicContact CE1-CG1 4.35Å; V103-V177 PolarHBondContact O-N 2.9Å; F104-V177 CarbonylContact C-O 3.52Å; F104-V177 VanDerWaalsContact CA-O 3.25Å; F104-V177 WeakPolarHBondContact CA-O 3.32Å; F104-V177 HydrophobicContact CD1-CB 3.87Å; F104-V177 HydrophobicContact CD1-CG1 4.14Å; F104-V177 HydrophobicContact CE1-CB 3.91Å; F104-V177 HydrophobicContact CE1-CG1 4.14Å; F104-V177 HydrophobicContact CE1-CG2 4.25Å
178M84.4Confident74Confident149 Ų14984.3 Ų84.373%0.73445%0.449SS*.  trans-78.6133.6173.3-68-137.3-65.100109.3S183M178-S183 WeakPolarHBondContact O-CB 3.38Å; M178-S183 PolarHBondContact O-OG 3.39Å
179I85.2Confident73Confident20 Ų2082.4 Ų82.410%0.10346%0.462CS..  trans-90.1125.1170-65.6179.7000108.5V21 W52 L54 F85 F104 E106V21-I179 HydrophobicContact CG1-CD1 4.01Å; V21-I179 HydrophobicContact CG2-CB 4.37Å; V21-I179 HydrophobicContact CG2-CD1 4.03Å; V21-I179 HydrophobicContact CG2-CG2 3.79Å; W52-I179 HydrophobicContact CB-CG2 3.51Å; W52-I179 HydrophobicContact CD2-CG2 3.66Å; W52-I179 HydrophobicContact CE3-CG2 3.96Å; W52-I179 HydrophobicContact CG-CG2 3.44Å; W52-I179 VanDerWaalsContact CG-CG2 3.44Å; L54-I179 HydrophobicContact CB-CD1 4.3Å; F85-I179 HydrophobicContact CB-CD1 4.44Å; F85-I179 HydrophobicContact CD1-CG1 4.14Å; F85-I179 HydrophobicContact CD2-CD1 4.37Å; F85-I179 HydrophobicContact CD2-CG1 4.04Å; F85-I179 HydrophobicContact CD2-CG2 4.01Å; F85-I179 HydrophobicContact CE1-CG1 4.39Å; F85-I179 HydrophobicContact CE2-CB 4.36Å; F85-I179 HydrophobicContact CE2-CG1 4.31Å; F85-I179 HydrophobicContact CE2-CG2 3.74Å; F85-I179 HydrophobicContact CG-CD1 4.33Å; F85-I179 HydrophobicContact CG-CG1 3.96Å; F85-I179 HydrophobicContact CZ-CB 4.49Å; F85-I179 HydrophobicContact CZ-CG1 4.48Å; F85-I179 HydrophobicContact CZ-CG2 4.26Å; F104-I179 HydrophobicContact CB-CD1 3.9Å; F104-I179 HydrophobicContact CB-CG1 4.3Å; F104-I179 HydrophobicContact CD1-CD1 4.11Å; F104-I179 HydrophobicContact CD1-CG1 4.23Å; F104-I179 HydrophobicContact CG-CD1 4.33Å; E106-I179 HydrophobicContact CG-CD1 4Å
180G84.8Confident71.7Confident9 Ų982.5 Ų82.59%0.09346%0.462CS..SBendtrans162.8174.4-176.500000111.3F182 S183 H185G180-F182 VanDerWaalsContact C-N 3.26Å; G180-F182 PolarHBondContact O-N 3.35Å; G180-S183 PolarHBondContact O-N 3.08Å; G180-S183 PolarHBondContact O-OG 2.93Å; G180-H185 PolarHBondContact O-CE1 3.19Å
181P79.5Confident69.8Low85 Ų8595.2 Ų95.255%0.55252%0.516SS*.THydrogen-bonded Turntrans-68.6-14.2-169.426.4-34.5000115.8H185P181-H185 VanDerWaalsContact C-CE1 3.4Å; P181-H185 PolarHBondContact O-CE1 3.43Å; P181-H185 VanDerWaalsContact O-CE1 3.23Å; P181-H185 PolarHBondContact O-NE2 3.12Å
182F75.5Confident69.7Low202 Ų20293.3 Ų93.389%0.88651%0.513SS*.THydrogen-bonded Turntrans-1061.3-175.5-56.4-68.7000114.2G180G180-F182 VanDerWaalsContact C-N 3.26Å; G180-F182 PolarHBondContact O-N 3.35Å
183S72.4Confident69.6Low26 Ų2691.4 Ų91.418%0.18251%0.513CS..SBendtrans-80.5158.3-176.6-49.60000111.5M178 G180 H185M178-S183 WeakPolarHBondContact O-CB 3.38Å; M178-S183 PolarHBondContact O-OG 3.39Å; G180-S183 PolarHBondContact O-N 3.08Å; G180-S183 PolarHBondContact O-OG 2.93Å; S183-H185 PolarHBondContact O-CD2 3.32Å; S183-H185 PolarHBondContact O-CE1 3.34Å; S183-H185 VanDerWaalsContact O-CG 3.24Å; S183-H185 PolarHBondContact O-N 2.95Å; S183-H185 PolarHBondContact O-ND1 2.91Å; S183-H185 PolarHBondContact O-NE2 2.95Å; S183-H185 VanDerWaalsContact O-NE2 3.13Å
184E68.4Low69.5Low192 Ų19292.8 Ų92.890%0.89752%0.522SS*.  trans-61.7106.5164.9-73.2-168.5166.600108.1
185H67.4Low69.4Low76 Ų7694.7 Ų94.735%0.35252%0.517SS..  trans-87.3158.3-172.3-51.5-65.2000112K82 F85 G180 P181 S183K82-H185 HydrophobicContact CB-CB 4.09Å; K82-H185 WeakPolarHBondContact O-CB 3.41Å; K82-H185 PolarHBondContact O-ND1 3.47Å; F85-H185 AromaticContact CZ-ND1 3.67Å; G180-H185 PolarHBondContact O-CE1 3.19Å; P181-H185 VanDerWaalsContact C-CE1 3.4Å; P181-H185 PolarHBondContact O-CE1 3.43Å; P181-H185 VanDerWaalsContact O-CE1 3.23Å; P181-H185 PolarHBondContact O-NE2 3.12Å; S183-H185 PolarHBondContact O-CD2 3.32Å; S183-H185 PolarHBondContact O-CE1 3.34Å; S183-H185 VanDerWaalsContact O-CG 3.24Å; S183-H185 PolarHBondContact O-N 2.95Å; S183-H185 PolarHBondContact O-ND1 2.91Å; S183-H185 PolarHBondContact O-NE2 2.95Å; S183-H185 VanDerWaalsContact O-NE2 3.13Å
186G62.9Low69.1Low15 Ų1593.7 Ų93.716%0.15550%0.504CS..SBendtrans84.2169.6178.400000111.9I84 P188I84-G186 WeakPolarHBondContact O-CA 3.39Å; I84-G186 PolarHBondContact O-N 3.44Å; G186-P188 WeakPolarHBondContact O-CD 3.01Å
187C69.6Low68.4Low13 Ų1393.8 Ų93.89%0.08850%0.495CS..PPolyproline II helixtrans-80.4116.4174.1-55.10000107.1Q71 C86 Y88 A189Q71-C187 VanDerWaalsContact CD-CB 3.5Å; Q71-C187 HydrophobicContact CG-CB 4.44Å; Q71-C187 VanDerWaalsContact CG-SG 3.58Å; Q71-C187 PolarHBondContact NE2-SG 3.44Å; C86-C187 HydrophobicContact CB-CB 3.55Å; C86-C187 WeakPolarHBondContact CB-SG 3.46Å; C86-C187 WeakPolarHBondContact SG-CB 3.01Å; C86-C187 CovalentContact SG-SG 1.99Å; C86-C187 PolarHBondContact SG-SG 2.92Å; Y88-C187 VanDerWaalsContact OH-CB 3.3Å; Y88-C187 WeakPolarHBondContact OH-CB 3.42Å; C187-A189 PolarHBondContact O-N 3.09Å; C187-A189 VanDerWaalsContact O-N 3.14Å
188P63.1Low67.5Low91 Ų9196.9 Ų96.959%0.59151%0.508SS*.PPolyproline II helixtrans-55.9126.6179.620.6-30.6000108Y88 G186 Q190Y88-P188 HydrophobicContact CE2-CG 4.17Å; Y88-P188 PolarHBondContact OH-O 3.42Å; G186-P188 WeakPolarHBondContact O-CD 3.01Å; P188-Q190 PolarHBondContact O-N 3.42Å; P188-Q190 VanDerWaalsContact O-N 3.14Å
189A52.4Low66.2Low94 Ų9492.9 Ų92.978%0.77749%0.491SS*.PPolyproline II helixtrans-57.6120.5174.100000107.5C187 K191C187-A189 PolarHBondContact O-N 3.09Å; C187-A189 VanDerWaalsContact O-N 3.14Å; A189-K191 PolarHBondContact O-N 3.16Å; A189-K191 VanDerWaalsContact O-N 3.16Å
190Q48.2Very low64.6Low105 Ų10599 Ų9949%0.49152%0.523SS..PPolyproline II helixtrans-62.4120.4173.5-59.8-170.932.100107.1N59 D65 P188N59-Q190 PolarHBondContact ND2-NE2 3.18Å; N59-Q190 PolarHBondContact OD1-NE2 3.46Å; D65-Q190 PolarHBondContact OD2-NE2 2.65Å; P188-Q190 PolarHBondContact O-N 3.42Å; P188-Q190 VanDerWaalsContact O-N 3.14Å
191K30.9Very low62.8Low280 Ų280107.2 Ų107.2100%1.21756%0.562SS**  trans-67.50168-78.2-173.2178.1-178.80110.5A189A189-K191 PolarHBondContact O-N 3.16Å; A189-K191 VanDerWaalsContact O-N 3.16Å

Retrieved 191 of 191 residues in 242.5 ms (Link to these results)

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