A0A077ZJ04_TRITR Loading...

Hexapep domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M62.1Low93.5Very high148 Ų14864.5 Ų64.573%0.72937%0.367SS*.  0150.10-78.9-178.9-8300109.1E19 F146M1-E19 PolarHBondContact N-OE1 2.82Å; M1-F146 HydrophobicContact CB-CE2 4.19Å; M1-F146 HydrophobicContact CB-CZ 3.9Å; M1-F146 HydrophobicContact CE-CE1 4.49Å; M1-F146 HydrophobicContact CE-CZ 4.21Å; M1-F146 HydrophobicContact CG-CZ 4.32Å; M1-F146 HydrophobicContact SD-CE1 4.06Å; M1-F146 HydrophobicContact SD-CZ 3.58Å; M1-F146 VanDerWaalsContact SD-CZ 3.58Å
2A86.7Confident93.9Very high60 Ų6070.5 Ų70.550%0.49638%0.381SS..  trans-77.9140-170.600000112.4Q150A2-Q150 PolarHBondContact O-NE2 3.25Å
3N95.9Very high94.2Very high57 Ų5769.9 Ų69.931%0.30540%0.402SS..  trans-63.9158166.2-60.974.9000110.9G18 S21N3-G18 PolarHBondContact ND2-O 3.15Å; N3-S21 WeakPolarHBondContact CA-O 3.14Å; N3-S21 WeakPolarHBondContact CB-O 3.44Å; N3-S21 PolarHBondContact ND2-N 2.84Å; N3-S21 PolarHBondContact ND2-O 2.73Å; N3-S21 PolarHBondContact ND2-OG 3.07Å
4F97.9Very high94.5Very high17 Ų1771.5 Ų71.58%0.07541%0.408CS..EExtended strand (participates in β ladder)trans-116130170.2172.7-111.8000109.9A6 S21 T22 I23 W24 F25 Y152F4-A6 HydrophobicContact CE1-CB 4Å; F4-A6 HydrophobicContact CZ-CB 3.86Å; F4-S21 PolarHBondContact N-O 3.09Å; F4-S21 VanDerWaalsContact N-O 3.13Å; F4-T22 HydrophobicContact CB-CG2 3.93Å; F4-T22 CarbonylContact O-C 3.58Å; F4-T22 VanDerWaalsContact O-CA 3.28Å; F4-T22 WeakPolarHBondContact O-CA 3.43Å; F4-I23 PolarHBondContact O-N 2.73Å; F4-W24 HydrophobicContact CD1-CH2 4.35Å; F4-W24 HydrophobicContact CD1-CZ2 4.2Å; F4-W24 HydrophobicContact CE1-CD2 4.22Å; F4-W24 HydrophobicContact CE1-CE3 4.04Å; F4-W24 HydrophobicContact CE1-CH2 4.14Å; F4-W24 HydrophobicContact CE1-CZ2 4.35Å; F4-W24 AromaticContact CE1-CZ3 4Å; F4-W24 HydrophobicContact CE1-CZ3 4Å; F4-F25 HydrophobicContact CZ-CZ 4.41Å; F4-Y152 HydrophobicContact CZ-CG 4.23Å
5I98.2Very high94.8Very high77 Ų7768.7 Ų68.740%0.39539%0.393SS..EExtended strand (participates in β ladder)trans-125119.1167.6-57.1177.3000105.3A9 V11 L17 I23I5-A9 HydrophobicContact CG2-CB 3.91Å; I5-V11 HydrophobicContact CG2-CG2 4.36Å; I5-L17 HydrophobicContact CD1-CD1 3.77Å; I5-L17 HydrophobicContact CG1-CD1 4.17Å; I5-I23 HydrophobicContact CG1-CB 4.41Å; I5-I23 HydrophobicContact CG1-CG1 4.29Å; I5-I23 HydrophobicContact CG2-CB 4.42Å
6A97.6Very high95Very high2 Ų269.5 Ų69.52%0.01740%0.399CS..  trans-63.3144.6175.300000110.5F4 S8 A9 I23 F25F4-A6 HydrophobicContact CE1-CB 4Å; F4-A6 HydrophobicContact CZ-CB 3.86Å; A6-S8 PolarHBondContact O-N 2.73Å; A6-A9 HydrophobicContact CB-CB 4.39Å; A6-A9 WeakPolarHBondContact O-CB 3.33Å; A6-A9 PolarHBondContact O-N 3.49Å; A6-I23 PolarHBondContact N-O 2.96Å; A6-F25 HydrophobicContact CB-CB 4.43Å; A6-F25 HydrophobicContact CB-CD1 3.59Å; A6-F25 HydrophobicContact CB-CD2 4.43Å; A6-F25 HydrophobicContact CB-CE1 3.8Å; A6-F25 HydrophobicContact CB-CG 3.92Å; A6-F25 HydrophobicContact CB-CZ 4.31Å
7D96Very high95.3Very high173 Ų17368 Ų6893%0.92539%0.389SS*.THydrogen-bonded Turntrans-57.4-24.1-178.5-66.8-14000114.1
8S97.8Very high95.4Very high50 Ų5065.2 Ų65.235%0.3538%0.378SS..THydrogen-bonded Turntrans-96.75.6177.463.10000114A6 F25 Q26A6-S8 PolarHBondContact O-N 2.73Å; S8-F25 VanDerWaalsContact OG-CA 3.3Å; S8-F25 WeakPolarHBondContact OG-CA 3.31Å; S8-F25 WeakPolarHBondContact OG-CB 3.5Å; S8-Q26 VanDerWaalsContact O-CA 3.28Å; S8-Q26 WeakPolarHBondContact O-CA 3.5Å; S8-Q26 PolarHBondContact O-N 2.77Å; S8-Q26 PolarHBondContact OG-N 3.02Å
9A98.7Very high95.6Very high14 Ų1467.2 Ų67.212%0.11638%0.383CS..  trans-86.6138.2173.400000110.5I5 A6 I23 S27I5-A9 HydrophobicContact CG2-CB 3.91Å; A6-A9 HydrophobicContact CB-CB 4.39Å; A6-A9 WeakPolarHBondContact O-CB 3.33Å; A6-A9 PolarHBondContact O-N 3.49Å; A9-I23 HydrophobicContact CB-CG2 3.83Å; A9-S27 CarbonylContact C-O 3.59Å; A9-S27 WeakPolarHBondContact CA-O 3.32Å
10D98.8Very high95.7Very high67 Ų6763.9 Ų63.936%0.35836%0.364SS..EExtended strand (participates in β ladder)trans-109.8108.5-175.5-88.5-55.9000109Y12 S27 V28 L29D10-Y12 HydrophobicContact CB-CD2 4.29Å; D10-Y12 HydrophobicContact CB-CE2 3.63Å; D10-Y12 VanDerWaalsContact OD1-CE2 3.3Å; D10-Y12 WeakPolarHBondContact OD1-CE2 3.45Å; D10-Y12 PolarHBondContact OD1-OH 2.9Å; D10-S27 PolarHBondContact N-O 2.83Å; D10-V28 HydrophobicContact CB-CG1 4.33Å; D10-V28 HydrophobicContact CB-CG2 4.19Å; D10-V28 CarbonylContact O-C 3.46Å; D10-V28 WeakPolarHBondContact O-CA 3.31Å; D10-L29 PolarHBondContact O-N 2.82Å
11V98.6Very high95.8Very high45 Ų4560.8 Ų60.827%0.27335%0.347SS..EExtended strand (participates in β ladder)trans-123.9114.7-177.8-173.70000109.9I5 V15 I23 L29I5-V11 HydrophobicContact CG2-CG2 4.36Å; V11-V15 HydrophobicContact CG1-CB 3.88Å; V11-V15 HydrophobicContact CG1-CG1 3.81Å; V11-V15 HydrophobicContact CG1-CG2 3.98Å; V11-I23 HydrophobicContact CG2-CG2 4.23Å; V11-L29 WeakPolarHBondContact CA-O 3.36Å; V11-L29 HydrophobicContact CG1-CB 4.17Å; V11-L29 HydrophobicContact CG2-CB 4.29Å
12Y98.4Very high97.6Very high136 Ų13653.8 Ų53.853%0.53331%0.313SS..EExtended strand (participates in β ladder)trans-135.5148.4-172.5-61.8-85.7000112.7D10 V15 L29 G31D10-Y12 HydrophobicContact CB-CD2 4.29Å; D10-Y12 HydrophobicContact CB-CE2 3.63Å; D10-Y12 VanDerWaalsContact OD1-CE2 3.3Å; D10-Y12 WeakPolarHBondContact OD1-CE2 3.45Å; D10-Y12 PolarHBondContact OD1-OH 2.9Å; Y12-V15 WeakPolarHBondContact O-CG2 3.4Å; Y12-L29 PolarHBondContact N-O 3.06Å; Y12-G31 PolarHBondContact O-N 3.25Å
13G98.3Very high98.2Very high63 Ų6351 Ų5165%0.64929%0.289SS*.EExtended strand (participates in β ladder)trans83.9-149.8174.300000113.5V15 G31G13-V15 PolarHBondContact O-N 3.2Å; G13-V15 VanDerWaalsContact O-N 3.1Å; G13-G31 CarbonylContact C-O 3.53Å; G13-G31 WeakPolarHBondContact CA-O 3.11Å
14D98.5Very high98.3Very high92 Ų9248.6 Ų48.649%0.49228%0.276SS..EExtended strand (participates in β ladder)trans-81.884.7-179.7-163-19.1000110.6G31 T35 I36D14-G31 PolarHBondContact N-O 2.86Å; D14-T35 HydrophobicContact CB-CG2 4.25Å; D14-T35 WeakPolarHBondContact O-CA 3.18Å; D14-T35 WeakPolarHBondContact OD2-CG2 3.32Å; D14-I36 PolarHBondContact O-N 2.81Å
15V98.8Very high98.3Very high29 Ų2950.8 Ų50.818%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-122.9121.3179-174.20000109.6V11 Y12 G13 L17 L29 I36V11-V15 HydrophobicContact CG1-CB 3.88Å; V11-V15 HydrophobicContact CG1-CG1 3.81Å; V11-V15 HydrophobicContact CG1-CG2 3.98Å; Y12-V15 WeakPolarHBondContact O-CG2 3.4Å; G13-V15 PolarHBondContact O-N 3.2Å; G13-V15 VanDerWaalsContact O-N 3.1Å; V15-L17 HydrophobicContact CG1-CD2 4.05Å; V15-L29 HydrophobicContact CG1-CD2 4.11Å; V15-I36 CarbonylContact C-O 3.55Å; V15-I36 WeakPolarHBondContact CA-O 3.27Å; V15-I36 HydrophobicContact CG1-CB 4.21Å; V15-I36 HydrophobicContact CG1-CG2 4.25Å; V15-I36 HydrophobicContact CG2-CB 4.16Å; V15-I36 HydrophobicContact CG2-CD1 4.32Å
16T98.6Very high98.3Very high82 Ų8254 Ų5450%0.50330%0.299SS..EExtended strand (participates in β ladder)trans-105.6131.1174.7-63.80000110.5I36 I38T16-I36 PolarHBondContact N-O 3.44Å; T16-I38 PolarHBondContact O-N 3.4Å
17L98.6Very high98.4Very high44 Ų4454 Ų5423%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-113.6118.1178.3-59.3-175.2000110.6I5 V15 I23 I38I5-L17 HydrophobicContact CD1-CD1 3.77Å; I5-L17 HydrophobicContact CG1-CD1 4.17Å; V15-L17 HydrophobicContact CG1-CD2 4.05Å; L17-I23 HydrophobicContact CD1-CG1 4.3Å; L17-I23 HydrophobicContact CD2-CD1 4.06Å; L17-I23 HydrophobicContact CD2-CG1 4.32Å; L17-I38 HydrophobicContact CD2-CB 3.76Å; L17-I38 HydrophobicContact CD2-CG1 3.69Å; L17-I38 HydrophobicContact CD2-CG2 4.37Å
18G98.3Very high98.5Very high17 Ų1747.9 Ų47.918%0.17527%0.267CS..  trans-72.3156174.600000112N3 G20 S21 I38N3-G18 PolarHBondContact ND2-O 3.15Å; G18-G20 PolarHBondContact O-N 3.06Å; G18-S21 WeakPolarHBondContact O-CB 3.5Å; G18-S21 PolarHBondContact O-N 3Å; G18-S21 VanDerWaalsContact O-N 3.1Å; G18-S21 PolarHBondContact O-OG 3.21Å; G18-S21 VanDerWaalsContact O-OG 3.11Å; G18-I38 WeakPolarHBondContact CA-O 3.27Å; G18-I38 PolarHBondContact N-O 3.16Å
19E97.9Very high98.6Very high103 Ų10345.5 Ų45.548%0.48125%0.251SS..THydrogen-bonded Turntrans-51.6130.2-174.4-175.1178.9-176.500113.1M1 S21 K40 M41M1-E19 PolarHBondContact N-OE1 2.82Å; E19-S21 PolarHBondContact O-N 2.76Å; E19-K40 HydrophobicContact CB-CG 4.36Å; E19-K40 CarbonylContact O-C 3.55Å; E19-K40 WeakPolarHBondContact O-CA 3.43Å; E19-M41 PolarHBondContact O-N 3.23Å
20G98.1Very high98.6Very high1 Ų149.2 Ų49.21%0.0126%0.262CS..THydrogen-bonded Turntrans738.117700000114.8G18 F146G18-G20 PolarHBondContact O-N 3.06Å; G20-F146 WeakPolarHBondContact O-CD2 3.22Å
21S98.7Very high98.6Very high0 Ų046.2 Ų46.20%025%0.246CC..  trans-67.8153.117173.70000111.7N3 F4 G18 E19 G39 T42N3-S21 WeakPolarHBondContact CA-O 3.14Å; N3-S21 WeakPolarHBondContact CB-O 3.44Å; N3-S21 PolarHBondContact ND2-N 2.84Å; N3-S21 PolarHBondContact ND2-O 2.73Å; N3-S21 PolarHBondContact ND2-OG 3.07Å; F4-S21 PolarHBondContact N-O 3.09Å; F4-S21 VanDerWaalsContact N-O 3.13Å; G18-S21 WeakPolarHBondContact O-CB 3.5Å; G18-S21 PolarHBondContact O-N 3Å; G18-S21 VanDerWaalsContact O-N 3.1Å; G18-S21 PolarHBondContact O-OG 3.21Å; G18-S21 VanDerWaalsContact O-OG 3.11Å; E19-S21 PolarHBondContact O-N 2.76Å; S21-G39 WeakPolarHBondContact CB-O 3.45Å; S21-T42 CarbonylContact C-O 3.44Å; S21-T42 WeakPolarHBondContact CA-O 3.32Å; S21-T42 VanDerWaalsContact CB-O 3.25Å; S21-T42 WeakPolarHBondContact CB-O 3.31Å
22T98.8Very high98.5Very high1 Ų148.2 Ų48.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-133.3128.2-174.861.30000111.2F4 W24 T42 N43 V44F4-T22 HydrophobicContact CB-CG2 3.93Å; F4-T22 CarbonylContact O-C 3.58Å; F4-T22 VanDerWaalsContact O-CA 3.28Å; F4-T22 WeakPolarHBondContact O-CA 3.43Å; T22-W24 VanDerWaalsContact CB-NE1 3.35Å; T22-W24 PolarHBondContact OG1-NE1 2.82Å; T22-T42 PolarHBondContact N-O 3.2Å; T22-N43 CarbonylContact O-C 3.48Å; T22-N43 WeakPolarHBondContact O-CA 3.34Å; T22-N43 VanDerWaalsContact OG1-CB 3.23Å; T22-N43 WeakPolarHBondContact OG1-CB 3.03Å; T22-V44 PolarHBondContact O-N 2.83Å
23I98.8Very high98.5Very high0 Ų043.9 Ų43.90%025%0.245CC..EExtended strand (participates in β ladder)trans-114.3116.1178.8-46.8-58.3000107.8F4 I5 A6 A9 V11 L17 L29 V44F4-I23 PolarHBondContact O-N 2.73Å; I5-I23 HydrophobicContact CG1-CB 4.41Å; I5-I23 HydrophobicContact CG1-CG1 4.29Å; I5-I23 HydrophobicContact CG2-CB 4.42Å; A6-I23 PolarHBondContact N-O 2.96Å; A9-I23 HydrophobicContact CB-CG2 3.83Å; V11-I23 HydrophobicContact CG2-CG2 4.23Å; L17-I23 HydrophobicContact CD1-CG1 4.3Å; L17-I23 HydrophobicContact CD2-CD1 4.06Å; L17-I23 HydrophobicContact CD2-CG1 4.32Å; I23-L29 HydrophobicContact CD1-CD2 3.76Å; I23-L29 HydrophobicContact CG1-CD2 4.39Å; I23-L29 HydrophobicContact CG2-CD1 3.77Å; I23-V44 HydrophobicContact CD1-CB 3.88Å; I23-V44 HydrophobicContact CD1-CG2 3.82Å
24W98.7Very high98.5Very high7 Ų742.9 Ų42.93%0.02723%0.225CC..  trans-96.6172.2-166.9-67.981.1000112.8F4 T22 Q26 S27 V44 Y145 L148 Y152F4-W24 HydrophobicContact CD1-CH2 4.35Å; F4-W24 HydrophobicContact CD1-CZ2 4.2Å; F4-W24 HydrophobicContact CE1-CD2 4.22Å; F4-W24 HydrophobicContact CE1-CE3 4.04Å; F4-W24 HydrophobicContact CE1-CH2 4.14Å; F4-W24 HydrophobicContact CE1-CZ2 4.35Å; F4-W24 AromaticContact CE1-CZ3 4Å; F4-W24 HydrophobicContact CE1-CZ3 4Å; T22-W24 VanDerWaalsContact CB-NE1 3.35Å; T22-W24 PolarHBondContact OG1-NE1 2.82Å; W24-Q26 PolarHBondContact O-N 3.49Å; W24-S27 VanDerWaalsContact O-CB 3.24Å; W24-S27 WeakPolarHBondContact O-CB 3.2Å; W24-S27 PolarHBondContact O-N 3.14Å; W24-S27 VanDerWaalsContact O-N 3.17Å; W24-S27 PolarHBondContact O-OG 2.95Å; W24-V44 WeakPolarHBondContact CB-O 3.36Å; W24-V44 VanDerWaalsContact CD1-O 3.24Å; W24-V44 PolarHBondContact N-O 2.89Å; W24-Y145 HydrophobicContact CD2-CD1 4.18Å; W24-Y145 HydrophobicContact CD2-CE1 4.16Å; W24-Y145 AromaticContact CE2-CD1 3.42Å; W24-Y145 VanDerWaalsContact CE2-CD1 3.42Å; W24-Y145 AromaticContact CE2-CE1 3.86Å; W24-Y145 HydrophobicContact CH2-CD1 4.44Å; W24-Y145 AromaticContact CZ2-CD1 3.58Å; W24-Y145 HydrophobicContact CZ2-CD1 3.58Å; W24-Y145 HydrophobicContact CZ2-CE1 4.2Å; W24-Y145 WeakPolarHBondContact CZ2-O 3.32Å; W24-Y145 AromaticContact NE1-CD1 3.39Å; W24-Y145 AromaticContact NE1-CE1 3.98Å; W24-L148 HydrophobicContact CH2-CB 3.55Å; W24-L148 HydrophobicContact CZ2-CB 4.01Å; W24-Y152 AromaticContact CH2-CD2 3.78Å; W24-Y152 HydrophobicContact CH2-CD2 3.78Å; W24-Y152 HydrophobicContact CH2-CE2 4.06Å; W24-Y152 AromaticContact CZ3-CD2 3.68Å; W24-Y152 HydrophobicContact CZ3-CD2 3.68Å; W24-Y152 AromaticContact CZ3-CE2 3.67Å; W24-Y152 HydrophobicContact CZ3-CE2 3.67Å; W24-Y152 HydrophobicContact CZ3-CG 4.37Å
25F98.3Very high98.5Very high64 Ų6440.6 Ų40.628%0.28122%0.215SC..THydrogen-bonded Turntrans-51.2136.9-167.6-57.9-82.5000113F4 A6 S8 S27 D46 G47 Y152F4-F25 HydrophobicContact CZ-CZ 4.41Å; A6-F25 HydrophobicContact CB-CB 4.43Å; A6-F25 HydrophobicContact CB-CD1 3.59Å; A6-F25 HydrophobicContact CB-CD2 4.43Å; A6-F25 HydrophobicContact CB-CE1 3.8Å; A6-F25 HydrophobicContact CB-CG 3.92Å; A6-F25 HydrophobicContact CB-CZ 4.31Å; S8-F25 VanDerWaalsContact OG-CA 3.3Å; S8-F25 WeakPolarHBondContact OG-CA 3.31Å; S8-F25 WeakPolarHBondContact OG-CB 3.5Å; F25-S27 PolarHBondContact O-N 3.45Å; F25-D46 WeakPolarHBondContact CD2-OD1 3.47Å; F25-D46 CarbonylContact O-C 3.48Å; F25-D46 WeakPolarHBondContact O-CA 3.35Å; F25-G47 PolarHBondContact O-N 3.5Å; F25-Y152 HydrophobicContact CE2-CD1 4.22Å; F25-Y152 AromaticContact CE2-CE1 3.81Å; F25-Y152 HydrophobicContact CE2-CE1 3.81Å; F25-Y152 AromaticContact CZ-CD1 3.69Å; F25-Y152 HydrophobicContact CZ-CD1 3.69Å; F25-Y152 AromaticContact CZ-CE1 3.55Å; F25-Y152 HydrophobicContact CZ-CE1 3.55Å
26Q98.7Very high98.5Very high145 Ų14539.2 Ų39.268%0.67821%0.206SC*.THydrogen-bonded Turntrans61.213.2176.5-50.9-178.3-44.900115S8 W24 G47S8-Q26 VanDerWaalsContact O-CA 3.28Å; S8-Q26 WeakPolarHBondContact O-CA 3.5Å; S8-Q26 PolarHBondContact O-N 2.77Å; S8-Q26 PolarHBondContact OG-N 3.02Å; W24-Q26 PolarHBondContact O-N 3.49Å; Q26-G47 WeakPolarHBondContact O-CA 3.47Å
27S98.9Very high98.5Very high0 Ų037.3 Ų37.30%020%0.196CC..  trans-76.8145.9172.5-520000110.6A9 D10 W24 F25 Q45 T48A9-S27 CarbonylContact C-O 3.59Å; A9-S27 WeakPolarHBondContact CA-O 3.32Å; D10-S27 PolarHBondContact N-O 2.83Å; W24-S27 VanDerWaalsContact O-CB 3.24Å; W24-S27 WeakPolarHBondContact O-CB 3.2Å; W24-S27 PolarHBondContact O-N 3.14Å; W24-S27 VanDerWaalsContact O-N 3.17Å; W24-S27 PolarHBondContact O-OG 2.95Å; F25-S27 PolarHBondContact O-N 3.45Å; S27-Q45 PolarHBondContact OG-O 2.91Å; S27-Q45 VanDerWaalsContact OG-O 3.05Å; S27-T48 CarbonylContact C-O 3.48Å; S27-T48 WeakPolarHBondContact CA-O 3.35Å; S27-T48 WeakPolarHBondContact CB-O 3.27Å
28V98.9Very high98.5Very high45 Ų4535.4 Ų35.427%0.27319%0.186SC..EExtended strand (participates in β ladder)trans-122.6116.7178.4-176.80000109.3D10 T48 V49 V50D10-V28 HydrophobicContact CB-CG1 4.33Å; D10-V28 HydrophobicContact CB-CG2 4.19Å; D10-V28 CarbonylContact O-C 3.46Å; D10-V28 WeakPolarHBondContact O-CA 3.31Å; V28-T48 PolarHBondContact N-O 2.93Å; V28-V49 HydrophobicContact CB-CG2 4.49Å; V28-V49 CarbonylContact O-C 3.43Å; V28-V49 WeakPolarHBondContact O-CA 3.42Å; V28-V50 PolarHBondContact O-N 3.42Å
29L98.9Very high98.5Very high0 Ų035.1 Ų35.10%018%0.183CC..EExtended strand (participates in β ladder)trans-114.2117172.8-76.563.4000108.3D10 V11 Y12 V15 I23 I36 I38 V44 V50D10-L29 PolarHBondContact O-N 2.82Å; V11-L29 WeakPolarHBondContact CA-O 3.36Å; V11-L29 HydrophobicContact CG1-CB 4.17Å; V11-L29 HydrophobicContact CG2-CB 4.29Å; Y12-L29 PolarHBondContact N-O 3.06Å; V15-L29 HydrophobicContact CG1-CD2 4.11Å; I23-L29 HydrophobicContact CD1-CD2 3.76Å; I23-L29 HydrophobicContact CG1-CD2 4.39Å; I23-L29 HydrophobicContact CG2-CD1 3.77Å; L29-I36 HydrophobicContact CB-CD1 4.3Å; L29-I38 HydrophobicContact CD2-CD1 4.32Å; L29-I38 HydrophobicContact CD2-CG1 4.09Å; L29-V44 HydrophobicContact CD1-CG1 4.03Å; L29-V50 WeakPolarHBondContact CA-O 3.13Å; L29-V50 HydrophobicContact CD1-CB 4.41Å; L29-V50 HydrophobicContact CD1-CG2 4.02Å; L29-V50 HydrophobicContact CG-CB 3.91Å; L29-V50 HydrophobicContact CG-CG2 3.93Å
30R98.8Very high98.5Very high92 Ų9235.1 Ų35.135%0.34718%0.181SC..EExtended strand (participates in β ladder)trans-125.596-176.3-174.716154.480.110.6111.4D32 I36 V50 H51R30-D32 VanDerWaalsContact C-N 3.27Å; R30-D32 WeakPolarHBondContact CD-OD2 3.22Å; R30-D32 HydrophobicContact CG-CB 3.89Å; R30-D32 VanDerWaalsContact CG-CG 3.41Å; R30-D32 VanDerWaalsContact CG-OD2 3.25Å; R30-D32 WeakPolarHBondContact CG-OD2 3.3Å; R30-D32 IonicContact CZ-OD2 3.59Å; R30-D32 IonicContact NE-OD2 3.77Å; R30-D32 IonicContact NH1-OD1 3.37Å; R30-D32 PolarHBondContact NH1-OD1 3.04Å; R30-D32 IonicContact NH1-OD2 2.67Å; R30-D32 PolarHBondContact NH1-OD2 2.8Å; R30-D32 PolarHBondContact O-N 2.88Å; R30-I36 VanDerWaalsContact C-CD1 3.48Å; R30-V50 PolarHBondContact N-O 2.81Å; R30-H51 PolarHBondContact NH1-CE1 3.46Å; R30-H51 PolarHBondContact NH1-NE2 2.96Å; R30-H51 PolarHBondContact NH2-CD2 3.23Å; R30-H51 PolarHBondContact NH2-CE1 2.76Å; R30-H51 VanDerWaalsContact NH2-CE1 3.32Å; R30-H51 PolarHBondContact NH2-ND1 3.03Å; R30-H51 PolarHBondContact NH2-NE2 3.24Å; R30-H51 PolarHBondContact O-CD2 3.08Å
31G98.5Very high98.5Very high4 Ų436.1 Ų36.14%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-88.750173.700000112.2Y12 G13 D14 N34Y12-G31 PolarHBondContact O-N 3.25Å; G13-G31 CarbonylContact C-O 3.53Å; G13-G31 WeakPolarHBondContact CA-O 3.11Å; D14-G31 PolarHBondContact N-O 2.86Å; G31-N34 CarbonylContact C-O 3.27Å; G31-N34 WeakPolarHBondContact CA-O 3.38Å
32D97.8Very high98.5Very high87 Ų8736.1 Ų36.147%0.46519%0.186SC..EExtended strand (participates in β ladder)trans-90.6-22.5-172.564-2.3000114.6R30 H51R30-D32 VanDerWaalsContact C-N 3.27Å; R30-D32 WeakPolarHBondContact CD-OD2 3.22Å; R30-D32 HydrophobicContact CG-CB 3.89Å; R30-D32 VanDerWaalsContact CG-CG 3.41Å; R30-D32 VanDerWaalsContact CG-OD2 3.25Å; R30-D32 WeakPolarHBondContact CG-OD2 3.3Å; R30-D32 IonicContact CZ-OD2 3.59Å; R30-D32 IonicContact NE-OD2 3.77Å; R30-D32 IonicContact NH1-OD1 3.37Å; R30-D32 PolarHBondContact NH1-OD1 3.04Å; R30-D32 IonicContact NH1-OD2 2.67Å; R30-D32 PolarHBondContact NH1-OD2 2.8Å; R30-D32 PolarHBondContact O-N 2.88Å; D32-H51 IonicContact OD1-CD2 3.9Å; D32-H51 IonicContact OD1-NE2 3.13Å; D32-H51 PolarHBondContact OD1-NE2 3.29Å; D32-H51 VanDerWaalsContact OD1-NE2 3.13Å
33S96.8Very high98.6Very high45 Ų4536.1 Ų36.132%0.31519%0.186SC..EExtended strand (participates in β ladder)trans-112.4-13.1-177.8-54.20000112.6
34N98.3Very high98.6Very high42 Ų4236.1 Ų36.123%0.22519%0.186CC..EExtended strand (participates in β ladder)trans-170.8-175.7-179-147.8-31.2000109.2G31 V52 D53 H54G31-N34 CarbonylContact C-O 3.27Å; G31-N34 WeakPolarHBondContact CA-O 3.38Å; N34-V52 HydrophobicContact CB-CB 3.78Å; N34-V52 HydrophobicContact CB-CG1 4.28Å; N34-V52 HydrophobicContact CB-CG2 3.75Å; N34-D53 VanDerWaalsContact CB-O 3.29Å; N34-D53 WeakPolarHBondContact CB-O 3.16Å; N34-D53 PolarHBondContact ND2-O 3.07Å; N34-H54 PolarHBondContact ND2-O 3.45Å; N34-H54 VanDerWaalsContact ND2-O 3.13Å
35T98.7Very high98.6Very high45 Ų4536.2 Ų36.228%0.27619%0.187SC..EExtended strand (participates in β ladder)trans-88.5144.6-177.567.60000113.5D14 V52 P57 T58D14-T35 HydrophobicContact CB-CG2 4.25Å; D14-T35 WeakPolarHBondContact O-CA 3.18Å; D14-T35 WeakPolarHBondContact OD2-CG2 3.32Å; T35-V52 WeakPolarHBondContact O-CG1 3.29Å; T35-P57 WeakPolarHBondContact O-CB 3.15Å; T35-T58 PolarHBondContact O-N 2.77Å; T35-T58 VanDerWaalsContact O-N 3.15Å
36I98.9Very high98.6Very high0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-111.1124.1163.1-60.8173.3000108.7D14 V15 T16 L29 R30 I38 V50 V52 T58D14-I36 PolarHBondContact O-N 2.81Å; V15-I36 CarbonylContact C-O 3.55Å; V15-I36 WeakPolarHBondContact CA-O 3.27Å; V15-I36 HydrophobicContact CG1-CB 4.21Å; V15-I36 HydrophobicContact CG1-CG2 4.25Å; V15-I36 HydrophobicContact CG2-CB 4.16Å; V15-I36 HydrophobicContact CG2-CD1 4.32Å; T16-I36 PolarHBondContact N-O 3.44Å; L29-I36 HydrophobicContact CB-CD1 4.3Å; R30-I36 VanDerWaalsContact C-CD1 3.48Å; I36-I38 HydrophobicContact CG2-CD1 3.77Å; I36-I38 HydrophobicContact CG2-CG1 4.11Å; I36-V50 HydrophobicContact CD1-CB 4.29Å; I36-V50 HydrophobicContact CD1-CG1 3.97Å; I36-V50 WeakPolarHBondContact CD1-O 3.48Å; I36-V50 HydrophobicContact CG1-CG1 4.39Å; I36-V50 HydrophobicContact CG2-CG1 3.95Å; I36-V52 HydrophobicContact CD1-CG1 4.32Å; I36-V52 HydrophobicContact CG1-CG1 3.54Å; I36-T58 WeakPolarHBondContact CA-O 3.31Å
37S98.9Very high98.6Very high42 Ų4230 Ų3029%0.29417%0.168SC..EExtended strand (participates in β ladder)trans-112123.1173.1-65.90000110.1T58 I60S37-T58 PolarHBondContact N-O 2.89Å; S37-I60 PolarHBondContact O-N 2.83Å
38I98.9Very high98.6Very high4 Ų430 Ų302%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-113.5120.7174.8-52.3-60.3000108.3T16 L17 G18 L29 I36 T42 V44 I60T16-I38 PolarHBondContact O-N 3.4Å; L17-I38 HydrophobicContact CD2-CB 3.76Å; L17-I38 HydrophobicContact CD2-CG1 3.69Å; L17-I38 HydrophobicContact CD2-CG2 4.37Å; G18-I38 WeakPolarHBondContact CA-O 3.27Å; G18-I38 PolarHBondContact N-O 3.16Å; L29-I38 HydrophobicContact CD2-CD1 4.32Å; L29-I38 HydrophobicContact CD2-CG1 4.09Å; I36-I38 HydrophobicContact CG2-CD1 3.77Å; I36-I38 HydrophobicContact CG2-CG1 4.11Å; I38-T42 HydrophobicContact CG2-CG2 3.61Å; I38-V44 HydrophobicContact CD1-CG2 4.21Å; I38-I60 CarbonylContact C-O 3.46Å; I38-I60 WeakPolarHBondContact CA-O 3.42Å; I38-I60 HydrophobicContact CD1-CB 4.09Å; I38-I60 HydrophobicContact CD1-CD1 3.7Å; I38-I60 HydrophobicContact CD1-CG1 4.04Å
39G98.7Very high98.6Very high10 Ų1030.6 Ų30.610%0.10317%0.172CC..  trans-74.2-179.8-176.800000114.3S21 T42 I60 E61 D62S21-G39 WeakPolarHBondContact CB-O 3.45Å; G39-T42 WeakPolarHBondContact O-CB 3.45Å; G39-I60 PolarHBondContact N-O 2.83Å; G39-E61 WeakPolarHBondContact CA-O 3.24Å; G39-E61 PolarHBondContact N-O 2.73Å; G39-D62 VanDerWaalsContact CA-OD1 3.32Å; G39-D62 WeakPolarHBondContact CA-OD1 3.46Å
40K98.4Very high98.6Very high103 Ų10330.6 Ų30.645%0.44817%0.172SC..THydrogen-bonded Turntrans-64.4142.2-179.2-61.3176.2-175.81730110.8E19 T42 D62 Y63E19-K40 HydrophobicContact CB-CG 4.36Å; E19-K40 CarbonylContact O-C 3.55Å; E19-K40 WeakPolarHBondContact O-CA 3.43Å; K40-T42 PolarHBondContact O-N 3.41Å; K40-D62 HydrophobicContact CB-CB 4.34Å; K40-D62 PolarHBondContact N-OD1 3.03Å; K40-D62 CarbonylContact O-C 3.54Å; K40-D62 WeakPolarHBondContact O-CA 3.48Å; K40-Y63 PolarHBondContact O-N 2.96Å
41M98.2Very high98.6Very high23 Ų2327.7 Ų27.711%0.11316%0.162CC..THydrogen-bonded Turntrans57.213.1175.6-57.8-70-69.300114.5E19 Y63 F146E19-M41 PolarHBondContact O-N 3.23Å; M41-Y63 HydrophobicContact CB-CD1 3.59Å; M41-Y63 HydrophobicContact CB-CE1 3.68Å; M41-Y63 HydrophobicContact CB-CG 4.33Å; M41-Y63 HydrophobicContact CG-CD1 4.11Å; M41-Y63 HydrophobicContact CG-CE1 3.65Å; M41-F146 HydrophobicContact CE-CB 3.41Å; M41-F146 VanDerWaalsContact CE-CB 3.41Å; M41-F146 HydrophobicContact CE-CD1 3.61Å; M41-F146 HydrophobicContact CE-CD2 4.21Å; M41-F146 HydrophobicContact CE-CE1 4.44Å; M41-F146 HydrophobicContact CE-CG 3.46Å; M41-F146 VanDerWaalsContact CE-CG 3.46Å; M41-F146 HydrophobicContact SD-CB 3.96Å; M41-F146 HydrophobicContact SD-CD1 4.09Å; M41-F146 HydrophobicContact SD-CD2 3.75Å; M41-F146 HydrophobicContact SD-CE2 4.26Å; M41-F146 HydrophobicContact SD-CG 3.64Å
42T98.8Very high98.6Very high0 Ų027.6 Ų27.60%016%0.161CC..  trans-82.6140.6179-73.60000110.7S21 T22 I38 G39 K40 I60 E61 Y63 V64S21-T42 CarbonylContact C-O 3.44Å; S21-T42 WeakPolarHBondContact CA-O 3.32Å; S21-T42 VanDerWaalsContact CB-O 3.25Å; S21-T42 WeakPolarHBondContact CB-O 3.31Å; T22-T42 PolarHBondContact N-O 3.2Å; I38-T42 HydrophobicContact CG2-CG2 3.61Å; G39-T42 WeakPolarHBondContact O-CB 3.45Å; K40-T42 PolarHBondContact O-N 3.41Å; T42-I60 HydrophobicContact CG2-CG2 3.73Å; T42-E61 PolarHBondContact OG1-O 2.85Å; T42-Y63 PolarHBondContact OG1-N 2.85Å; T42-V64 CarbonylContact C-O 3.54Å; T42-V64 VanDerWaalsContact CA-O 3.25Å; T42-V64 WeakPolarHBondContact CA-O 3.45Å; T42-V64 HydrophobicContact CG2-CB 3.88Å; T42-V64 HydrophobicContact CG2-CG1 4.5Å; T42-V64 WeakPolarHBondContact CG2-O 3.38Å; T42-V64 PolarHBondContact OG1-N 3.26Å
43N98.9Very high98.6Very high1 Ų126.1 Ų26.11%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-118.1129179.953.299.5000111T22 Q45 V64 T65 I66 Y145T22-N43 CarbonylContact O-C 3.48Å; T22-N43 WeakPolarHBondContact O-CA 3.34Å; T22-N43 VanDerWaalsContact OG1-CB 3.23Å; T22-N43 WeakPolarHBondContact OG1-CB 3.03Å; N43-Q45 PolarHBondContact OD1-NE2 2.81Å; N43-V64 PolarHBondContact N-O 2.72Å; N43-V64 PolarHBondContact ND2-O 3.44Å; N43-T65 PolarHBondContact ND2-OG1 3.19Å; N43-T65 WeakPolarHBondContact OD1-CB 3.24Å; N43-T65 WeakPolarHBondContact OD1-CG2 3.28Å; N43-T65 PolarHBondContact OD1-OG1 2.61Å; N43-I66 PolarHBondContact O-N 3.18Å; N43-Y145 HydrophobicContact CB-CD1 4.15Å; N43-Y145 HydrophobicContact CB-CG 3.95Å
44V98.9Very high98.6Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-107.4100.1171.2-178.10000107.9T22 I23 W24 L29 I38 T48 V50 I66T22-V44 PolarHBondContact O-N 2.83Å; I23-V44 HydrophobicContact CD1-CB 3.88Å; I23-V44 HydrophobicContact CD1-CG2 3.82Å; W24-V44 WeakPolarHBondContact CB-O 3.36Å; W24-V44 VanDerWaalsContact CD1-O 3.24Å; W24-V44 PolarHBondContact N-O 2.89Å; L29-V44 HydrophobicContact CD1-CG1 4.03Å; I38-V44 HydrophobicContact CD1-CG2 4.21Å; V44-T48 HydrophobicContact CG1-CG2 3.62Å; V44-V50 HydrophobicContact CG1-CG2 4Å; V44-I66 HydrophobicContact CG2-CG1 4.36Å
45Q98.9Very high98.6Very high9 Ų934 Ų344%0.04219%0.187CC..  trans-80.7169.2-168.3-62.1175.913.600113S27 N43 T48 I66 H68 Y145S27-Q45 PolarHBondContact OG-O 2.91Å; S27-Q45 VanDerWaalsContact OG-O 3.05Å; N43-Q45 PolarHBondContact OD1-NE2 2.81Å; Q45-T48 WeakPolarHBondContact O-CB 3.44Å; Q45-T48 PolarHBondContact O-N 2.96Å; Q45-T48 PolarHBondContact O-OG1 3.08Å; Q45-I66 WeakPolarHBondContact CB-O 3.47Å; Q45-I66 WeakPolarHBondContact CG-O 3.18Å; Q45-I66 PolarHBondContact N-O 2.95Å; Q45-H68 WeakPolarHBondContact CB-ND1 3.39Å; Q45-H68 PolarHBondContact OE1-CD2 3.06Å; Q45-H68 PolarHBondContact OE1-CE1 2.75Å; Q45-H68 VanDerWaalsContact OE1-CE1 3.28Å; Q45-H68 PolarHBondContact OE1-NE2 3.37Å; Q45-H68 VanDerWaalsContact OE1-NE2 3.16Å; Q45-Y145 HydrophobicContact CG-CD1 4.28Å; Q45-Y145 HydrophobicContact CG-CE1 3.69Å; Q45-Y145 HydrophobicContact CG-CE2 4.38Å; Q45-Y145 PolarHBondContact NE2-OH 3.22Å; Q45-Y145 PolarHBondContact OE1-OH 2.76Å
46D98.8Very high98.6Very high48 Ų4832 Ų3226%0.25717%0.174SC..THydrogen-bonded Turntrans-46.1134.5-165.5-48.1-114.5000114.5F25 T48 H68 A69F25-D46 WeakPolarHBondContact CD2-OD1 3.47Å; F25-D46 CarbonylContact O-C 3.48Å; F25-D46 WeakPolarHBondContact O-CA 3.35Å; D46-T48 PolarHBondContact O-N 3.41Å; D46-H68 PolarHBondContact N-ND1 2.71Å; D46-H68 CarbonylContact O-C 3.52Å; D46-H68 VanDerWaalsContact O-CA 3.3Å; D46-H68 WeakPolarHBondContact O-CA 3.32Å; D46-H68 IonicContact OD2-CE1 3.12Å; D46-H68 PolarHBondContact OD2-CE1 3.41Å; D46-H68 IonicContact OD2-ND1 2.84Å; D46-H68 PolarHBondContact OD2-ND1 3.17Å; D46-A69 PolarHBondContact O-N 3.32Å
47G98.7Very high98.6Very high30 Ų3034.3 Ų34.331%0.30919%0.189SC..THydrogen-bonded Turntrans69.66.8175.700000115.4F25 Q26F25-G47 PolarHBondContact O-N 3.5Å; Q26-G47 WeakPolarHBondContact O-CA 3.47Å
48T98.9Very high98.6Very high0 Ų032.3 Ų32.30%018%0.175CC..  trans-73.6139.4179.2-66.90000111.4S27 V28 V44 Q45 D46 V50 I66 G67 A69 C70 I72S27-T48 CarbonylContact C-O 3.48Å; S27-T48 WeakPolarHBondContact CA-O 3.35Å; S27-T48 WeakPolarHBondContact CB-O 3.27Å; V28-T48 PolarHBondContact N-O 2.93Å; V44-T48 HydrophobicContact CG1-CG2 3.62Å; Q45-T48 WeakPolarHBondContact O-CB 3.44Å; Q45-T48 PolarHBondContact O-N 2.96Å; Q45-T48 PolarHBondContact O-OG1 3.08Å; D46-T48 PolarHBondContact O-N 3.41Å; T48-V50 HydrophobicContact CG2-CG2 4.04Å; T48-I66 HydrophobicContact CG2-CG2 3.69Å; T48-G67 PolarHBondContact OG1-O 3.21Å; T48-A69 PolarHBondContact OG1-N 3.38Å; T48-C70 WeakPolarHBondContact CA-O 3.47Å; T48-C70 HydrophobicContact CG2-CB 4Å; T48-C70 WeakPolarHBondContact CG2-O 3.36Å; T48-C70 PolarHBondContact OG1-N 2.94Å; T48-I72 HydrophobicContact CG2-CG1 4.44Å
49V98.9Very high98.6Very high58 Ų5834.2 Ų34.235%0.35219%0.187SC..EExtended strand (participates in β ladder)trans-106125.8170.7-178.30000109.4V28 C70 I72V28-V49 HydrophobicContact CB-CG2 4.49Å; V28-V49 CarbonylContact O-C 3.43Å; V28-V49 WeakPolarHBondContact O-CA 3.42Å; V49-C70 PolarHBondContact N-O 2.73Å; V49-I72 PolarHBondContact O-N 3.14Å
50V98.9Very high98.6Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-117.3117.7170.6-167.50000108.2V28 L29 R30 I36 V44 T48 T58 I60 I72V28-V50 PolarHBondContact O-N 3.42Å; L29-V50 WeakPolarHBondContact CA-O 3.13Å; L29-V50 HydrophobicContact CD1-CB 4.41Å; L29-V50 HydrophobicContact CD1-CG2 4.02Å; L29-V50 HydrophobicContact CG-CB 3.91Å; L29-V50 HydrophobicContact CG-CG2 3.93Å; R30-V50 PolarHBondContact N-O 2.81Å; I36-V50 HydrophobicContact CD1-CB 4.29Å; I36-V50 HydrophobicContact CD1-CG1 3.97Å; I36-V50 WeakPolarHBondContact CD1-O 3.48Å; I36-V50 HydrophobicContact CG1-CG1 4.39Å; I36-V50 HydrophobicContact CG2-CG1 3.95Å; V44-V50 HydrophobicContact CG1-CG2 4Å; T48-V50 HydrophobicContact CG2-CG2 4.04Å; V50-T58 HydrophobicContact CG1-CG2 3.63Å; V50-I60 HydrophobicContact CG1-CD1 4.46Å; V50-I72 WeakPolarHBondContact CA-O 3.43Å; V50-I72 HydrophobicContact CG1-CB 4.28Å; V50-I72 HydrophobicContact CG1-CG2 4.39Å; V50-I72 HydrophobicContact CG2-CB 4.39Å
51H98.8Very high98.6Very high30 Ų3031.6 Ų31.614%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-132.7-178178.6-165.6-139.8000109.7R30 D32 T58 I72 H73 G74R30-H51 PolarHBondContact NH1-CE1 3.46Å; R30-H51 PolarHBondContact NH1-NE2 2.96Å; R30-H51 PolarHBondContact NH2-CD2 3.23Å; R30-H51 PolarHBondContact NH2-CE1 2.76Å; R30-H51 VanDerWaalsContact NH2-CE1 3.32Å; R30-H51 PolarHBondContact NH2-ND1 3.03Å; R30-H51 PolarHBondContact NH2-NE2 3.24Å; R30-H51 PolarHBondContact O-CD2 3.08Å; D32-H51 IonicContact OD1-CD2 3.9Å; D32-H51 IonicContact OD1-NE2 3.13Å; D32-H51 PolarHBondContact OD1-NE2 3.29Å; D32-H51 VanDerWaalsContact OD1-NE2 3.13Å; H51-T58 PolarHBondContact O-OG1 2.9Å; H51-I72 PolarHBondContact N-O 3.37Å; H51-H73 AromaticContact CG-NE2 3.88Å; H51-H73 AromaticContact ND1-CD2 3.89Å; H51-H73 AromaticContact ND1-NE2 3.26Å; H51-H73 PolarHBondContact ND1-NE2 3.19Å; H51-G74 PolarHBondContact O-N 3.34Å
52V98.7Very high98.6Very high2 Ų233 Ų331%0.01218%0.181CC..  trans-142.7158.4-171.5-68.60000109.2N34 T35 I36 H73N34-V52 HydrophobicContact CB-CB 3.78Å; N34-V52 HydrophobicContact CB-CG1 4.28Å; N34-V52 HydrophobicContact CB-CG2 3.75Å; T35-V52 WeakPolarHBondContact O-CG1 3.29Å; I36-V52 HydrophobicContact CD1-CG1 4.32Å; I36-V52 HydrophobicContact CG1-CG1 3.54Å; V52-H73 PolarHBondContact O-CE1 3.38Å; V52-H73 VanDerWaalsContact O-CE1 3.26Å
53D98Very high98.6Very high56 Ų5638 Ų3830%0.29920%0.201SC..BIsolated β-bridgetrans-106.1163.2164.4-146.3-34.8000110.2N34 D55 A56 N91N34-D53 VanDerWaalsContact CB-O 3.29Å; N34-D53 WeakPolarHBondContact CB-O 3.16Å; N34-D53 PolarHBondContact ND2-O 3.07Å; D53-D55 PolarHBondContact O-N 3.03Å; D53-A56 HydrophobicContact CB-CB 3.8Å; D53-A56 PolarHBondContact N-O 3.06Å; D53-A56 CarbonylContact O-C 3.13Å; D53-A56 PolarHBondContact O-N 2.83Å; D53-A56 VanDerWaalsContact O-N 3.08Å; D53-A56 VanDerWaalsContact O-O 3.11Å; D53-N91 PolarHBondContact OD2-ND2 2.87Å
54H97.3Very high98.6Very high148 Ų14838 Ų3869%0.68520%0.201SC*.THydrogen-bonded Turntrans-57.1-35.4178.9-73.7-61.3000112.8N34N34-H54 PolarHBondContact ND2-O 3.45Å; N34-H54 VanDerWaalsContact ND2-O 3.13Å
55D97.8Very high98.6Very high106 Ų10638.1 Ų38.157%0.56720%0.202SC*.THydrogen-bonded Turntrans-99.2-2.317870.4-38.2000113.4D53 H92D53-D55 PolarHBondContact O-N 3.03Å; D55-H92 IonicContact OD1-NE2 2.81Å; D55-H92 IonicContact OD2-CE1 3.92Å; D55-H92 PolarHBondContact OD2-CE1 2.87Å; D55-H92 IonicContact OD2-NE2 3.54Å; D55-H92 PolarHBondContact OD2-NE2 2.89Å
56A98Very high98.6Very high1 Ų137.7 Ų37.71%0.00820%0.2CC..BIsolated β-bridgetrans-134.995.3-170.700000111.6D53 G74 N91D53-A56 HydrophobicContact CB-CB 3.8Å; D53-A56 PolarHBondContact N-O 3.06Å; D53-A56 CarbonylContact O-C 3.13Å; D53-A56 PolarHBondContact O-N 2.83Å; D53-A56 VanDerWaalsContact O-N 3.08Å; D53-A56 VanDerWaalsContact O-O 3.11Å; A56-G74 VanDerWaalsContact O-CA 3.3Å; A56-G74 WeakPolarHBondContact O-CA 3.28Å; A56-N91 HydrophobicContact CB-CB 4.48Å
57P98.6Very high98.6Very high49 Ų4935.6 Ų35.632%0.31819%0.19SC..  trans-67.9159.9169.231.5-34.9000110.1T35 G74 C75T35-P57 WeakPolarHBondContact O-CB 3.15Å; P57-G74 CarbonylContact O-C 3.53Å; P57-G74 VanDerWaalsContact O-C 3.27Å; P57-G74 WeakPolarHBondContact O-CA 3.32Å; P57-C75 PolarHBondContact O-N 3.15Å
58T98.9Very high98.6Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-104.4118.9171.3-66.20000109.2T35 I36 S37 V50 H51 I60 I72 G74 C75T35-T58 PolarHBondContact O-N 2.77Å; T35-T58 VanDerWaalsContact O-N 3.15Å; I36-T58 WeakPolarHBondContact CA-O 3.31Å; S37-T58 PolarHBondContact N-O 2.89Å; V50-T58 HydrophobicContact CG1-CG2 3.63Å; H51-T58 PolarHBondContact O-OG1 2.9Å; T58-I60 HydrophobicContact CG2-CD1 4.16Å; T58-I60 HydrophobicContact CG2-CG1 3.91Å; T58-I72 HydrophobicContact CG2-CG2 3.79Å; T58-G74 WeakPolarHBondContact OG1-CA 3.32Å; T58-G74 PolarHBondContact OG1-N 3.06Å; T58-C75 WeakPolarHBondContact CA-O 3.37Å
59V98.9Very high98.6Very high45 Ų4540.2 Ų40.227%0.27321%0.213SC..EExtended strand (participates in β ladder)trans-117.8114.2-179.4-177.20000108.7C75 T76 I77V59-C75 PolarHBondContact N-O 3.5Å; V59-T76 HydrophobicContact CB-CG2 4.38Å; V59-T76 CarbonylContact O-C 3.59Å; V59-T76 VanDerWaalsContact O-CA 3.31Å; V59-T76 WeakPolarHBondContact O-CA 3.29Å; V59-I77 PolarHBondContact O-N 2.95Å
60I98.9Very high98.6Very high1 Ų137.5 Ų37.51%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-117.8113.4176.4-48.8-173.2000106.4S37 I38 G39 T42 V50 T58 V64 I66 I72 I77S37-I60 PolarHBondContact O-N 2.83Å; I38-I60 CarbonylContact C-O 3.46Å; I38-I60 WeakPolarHBondContact CA-O 3.42Å; I38-I60 HydrophobicContact CD1-CB 4.09Å; I38-I60 HydrophobicContact CD1-CD1 3.7Å; I38-I60 HydrophobicContact CD1-CG1 4.04Å; G39-I60 PolarHBondContact N-O 2.83Å; T42-I60 HydrophobicContact CG2-CG2 3.73Å; V50-I60 HydrophobicContact CG1-CD1 4.46Å; T58-I60 HydrophobicContact CG2-CD1 4.16Å; T58-I60 HydrophobicContact CG2-CG1 3.91Å; I60-V64 HydrophobicContact CG2-CB 3.68Å; I60-V64 HydrophobicContact CG2-CG1 3.53Å; I60-V64 HydrophobicContact CG2-CG2 4.03Å; I60-I66 HydrophobicContact CD1-CD1 4.06Å; I60-I66 HydrophobicContact CD1-CG1 3.97Å; I60-I66 HydrophobicContact CG2-CD1 4.14Å; I60-I66 HydrophobicContact CG2-CG1 4.37Å; I60-I72 HydrophobicContact CD1-CG2 4.16Å; I60-I77 HydrophobicContact CD1-CD1 4.45Å; I60-I77 HydrophobicContact CG1-CD1 4.38Å; I60-I77 HydrophobicContact CG2-CB 4.31Å
61E98.9Very high98.6Very high56 Ų5641.4 Ų41.426%0.26222%0.217SC..  trans-78.3-157.7-173.6-62.1-174.8172.700112.7G39 T42 I77 H78 S79G39-E61 WeakPolarHBondContact CA-O 3.24Å; G39-E61 PolarHBondContact N-O 2.73Å; T42-E61 PolarHBondContact OG1-O 2.85Å; E61-I77 PolarHBondContact N-O 3.13Å; E61-H78 VanDerWaalsContact CD-ND1 3.3Å; E61-H78 IonicContact OE1-CE1 3.53Å; E61-H78 IonicContact OE1-CG 3.61Å; E61-H78 IonicContact OE1-ND1 3.37Å; E61-H78 PolarHBondContact OE1-ND1 2.72Å; E61-H78 WeakPolarHBondContact OE2-CA 3.42Å; E61-H78 IonicContact OE2-ND1 3.25Å; E61-S79 VanDerWaalsContact CB-OG 3.27Å; E61-S79 WeakPolarHBondContact CB-OG 3.4Å; E61-S79 PolarHBondContact OE2-N 3.4Å; E61-S79 PolarHBondContact OE2-OG 2.67Å
62D98.7Very high98.6Very high52 Ų5240 Ų4028%0.27821%0.21SC..THydrogen-bonded Turntrans-80.4147.9-171.3-65.1-11.9000112G39 K40 V64 S79 G80G39-D62 VanDerWaalsContact CA-OD1 3.32Å; G39-D62 WeakPolarHBondContact CA-OD1 3.46Å; K40-D62 HydrophobicContact CB-CB 4.34Å; K40-D62 PolarHBondContact N-OD1 3.03Å; K40-D62 CarbonylContact O-C 3.54Å; K40-D62 WeakPolarHBondContact O-CA 3.48Å; D62-V64 PolarHBondContact O-N 2.74Å; D62-V64 VanDerWaalsContact O-N 3.14Å; D62-S79 PolarHBondContact N-OG 2.99Å; D62-S79 CarbonylContact O-C 3.53Å; D62-S79 WeakPolarHBondContact O-CA 3.47Å; D62-S79 WeakPolarHBondContact O-CB 3.38Å; D62-G80 PolarHBondContact O-N 3.23Å
63Y98.6Very high98.6Very high106 Ų10642 Ų4242%0.41622%0.219SC..THydrogen-bonded Turntrans58.124.6175.8-52.1-84.4000114.6K40 M41 T42 G80K40-Y63 PolarHBondContact O-N 2.96Å; M41-Y63 HydrophobicContact CB-CD1 3.59Å; M41-Y63 HydrophobicContact CB-CE1 3.68Å; M41-Y63 HydrophobicContact CB-CG 4.33Å; M41-Y63 HydrophobicContact CG-CD1 4.11Å; M41-Y63 HydrophobicContact CG-CE1 3.65Å; T42-Y63 PolarHBondContact OG1-N 2.85Å; Y63-G80 WeakPolarHBondContact O-CA 3.4Å
64V98.9Very high98.7Very high0 Ų039.4 Ų39.40%021%0.206CC..  trans-82.9142.8178.2175.20000110.2T42 N43 I60 D62 I66 I77 H78 A81T42-V64 CarbonylContact C-O 3.54Å; T42-V64 VanDerWaalsContact CA-O 3.25Å; T42-V64 WeakPolarHBondContact CA-O 3.45Å; T42-V64 HydrophobicContact CG2-CB 3.88Å; T42-V64 HydrophobicContact CG2-CG1 4.5Å; T42-V64 WeakPolarHBondContact CG2-O 3.38Å; T42-V64 PolarHBondContact OG1-N 3.26Å; N43-V64 PolarHBondContact N-O 2.72Å; N43-V64 PolarHBondContact ND2-O 3.44Å; I60-V64 HydrophobicContact CG2-CB 3.68Å; I60-V64 HydrophobicContact CG2-CG1 3.53Å; I60-V64 HydrophobicContact CG2-CG2 4.03Å; D62-V64 PolarHBondContact O-N 2.74Å; D62-V64 VanDerWaalsContact O-N 3.14Å; V64-I66 HydrophobicContact CG1-CD1 3.64Å; V64-I66 HydrophobicContact CG1-CG1 4.27Å; V64-I77 HydrophobicContact CG1-CG2 3.65Å; V64-I77 HydrophobicContact CG2-CG2 4.15Å; V64-H78 VanDerWaalsContact CG2-O 3.3Å; V64-H78 WeakPolarHBondContact CG2-O 3.3Å; V64-A81 WeakPolarHBondContact CA-O 3.31Å
65T98.9Very high98.7Very high4 Ų432.4 Ų32.43%0.02517%0.174CC..EExtended strand (participates in β ladder)trans-107.6122164.6-81.70000110.3N43 A81 L82 I83 N141N43-T65 PolarHBondContact ND2-OG1 3.19Å; N43-T65 WeakPolarHBondContact OD1-CB 3.24Å; N43-T65 WeakPolarHBondContact OD1-CG2 3.28Å; N43-T65 PolarHBondContact OD1-OG1 2.61Å; T65-A81 PolarHBondContact N-O 3.15Å; T65-L82 HydrophobicContact CG2-CD1 4.06Å; T65-L82 HydrophobicContact CG2-CG 3.86Å; T65-L82 CarbonylContact O-C 3.59Å; T65-L82 WeakPolarHBondContact O-CA 3.28Å; T65-I83 PolarHBondContact O-N 2.89Å; T65-N141 WeakPolarHBondContact CG2-ND2 3.18Å; T65-N141 PolarHBondContact OG1-ND2 3.24Å
66I98.9Very high98.8Very high0 Ų029.4 Ų29.40%016%0.16CC..EExtended strand (participates in β ladder)trans-101.5108.7163.6-48.4-58.5000107.7N43 V44 Q45 T48 I60 V64 C70 I72 I77 I83N43-I66 PolarHBondContact O-N 3.18Å; V44-I66 HydrophobicContact CG2-CG1 4.36Å; Q45-I66 WeakPolarHBondContact CB-O 3.47Å; Q45-I66 WeakPolarHBondContact CG-O 3.18Å; Q45-I66 PolarHBondContact N-O 2.95Å; T48-I66 HydrophobicContact CG2-CG2 3.69Å; I60-I66 HydrophobicContact CD1-CD1 4.06Å; I60-I66 HydrophobicContact CD1-CG1 3.97Å; I60-I66 HydrophobicContact CG2-CD1 4.14Å; I60-I66 HydrophobicContact CG2-CG1 4.37Å; V64-I66 HydrophobicContact CG1-CD1 3.64Å; V64-I66 HydrophobicContact CG1-CG1 4.27Å; I66-C70 HydrophobicContact CG2-CB 3.72Å; I66-I72 HydrophobicContact CD1-CD1 4.45Å; I66-I72 HydrophobicContact CG2-CD1 3.98Å; I66-I72 HydrophobicContact CG2-CG1 3.71Å; I66-I77 HydrophobicContact CD1-CD1 3.63Å; I66-I83 HydrophobicContact CD1-CB 4.18Å; I66-I83 HydrophobicContact CD1-CG1 3.58Å
67G98.8Very high98.8Very high4 Ų429.4 Ų29.44%0.04116%0.159CC..  trans-63.3164.3-177.400000113.2T48 C70 I83T48-G67 PolarHBondContact OG1-O 3.21Å; G67-C70 PolarHBondContact O-SG 2.89Å; G67-I83 VanDerWaalsContact CA-O 3.3Å; G67-I83 WeakPolarHBondContact CA-O 3.47Å; G67-I83 PolarHBondContact N-O 3.25Å
68H98.8Very high98.9Very high68 Ų6828.7 Ų28.732%0.31515%0.152SC..THydrogen-bonded Turntrans-52.4145-178.6-46.6-76.5000112.9Q45 D46 C70 M85 G86 Y145Q45-H68 WeakPolarHBondContact CB-ND1 3.39Å; Q45-H68 PolarHBondContact OE1-CD2 3.06Å; Q45-H68 PolarHBondContact OE1-CE1 2.75Å; Q45-H68 VanDerWaalsContact OE1-CE1 3.28Å; Q45-H68 PolarHBondContact OE1-NE2 3.37Å; Q45-H68 VanDerWaalsContact OE1-NE2 3.16Å; D46-H68 PolarHBondContact N-ND1 2.71Å; D46-H68 CarbonylContact O-C 3.52Å; D46-H68 VanDerWaalsContact O-CA 3.3Å; D46-H68 WeakPolarHBondContact O-CA 3.32Å; D46-H68 IonicContact OD2-CE1 3.12Å; D46-H68 PolarHBondContact OD2-CE1 3.41Å; D46-H68 IonicContact OD2-ND1 2.84Å; D46-H68 PolarHBondContact OD2-ND1 3.17Å; H68-C70 PolarHBondContact O-N 2.94Å; H68-C70 VanDerWaalsContact O-N 3.16Å; H68-M85 HydrophobicContact CB-CB 4.29Å; H68-M85 CarbonylContact O-C 3.51Å; H68-M85 WeakPolarHBondContact O-CA 3.46Å; H68-M85 WeakPolarHBondContact O-CB 3.39Å; H68-G86 PolarHBondContact O-N 2.91Å; H68-Y145 PolarHBondContact CE1-OH 3.5Å; H68-Y145 VanDerWaalsContact CE1-OH 3.23Å; H68-Y145 PolarHBondContact NE2-OH 2.87Å
69A98.7Very high98.8Very high59 Ų5930.2 Ų30.249%0.48816%0.163SC..THydrogen-bonded Turntrans54.631.4173.200000114.4D46 T48 G86D46-A69 PolarHBondContact O-N 3.32Å; T48-A69 PolarHBondContact OG1-N 3.38Å; A69-G86 WeakPolarHBondContact O-CA 3.23Å
70C98.9Very high98.8Very high1 Ų128.2 Ų28.21%0.00715%0.151CC..  trans-76.6159.9173.1-69.40000111.7T48 V49 I66 G67 H68 I72 G84 A87T48-C70 WeakPolarHBondContact CA-O 3.47Å; T48-C70 HydrophobicContact CG2-CB 4Å; T48-C70 WeakPolarHBondContact CG2-O 3.36Å; T48-C70 PolarHBondContact OG1-N 2.94Å; V49-C70 PolarHBondContact N-O 2.73Å; I66-C70 HydrophobicContact CG2-CB 3.72Å; G67-C70 PolarHBondContact O-SG 2.89Å; H68-C70 PolarHBondContact O-N 2.94Å; H68-C70 VanDerWaalsContact O-N 3.16Å; C70-I72 HydrophobicContact CB-CD1 4.03Å; C70-I72 HydrophobicContact CB-CG1 4.27Å; C70-G84 PolarHBondContact SG-O 2.8Å; C70-A87 VanDerWaalsContact CA-O 3.23Å; C70-A87 WeakPolarHBondContact CA-O 3.37Å; C70-A87 WeakPolarHBondContact CB-O 3.23Å
71I98.9Very high98.8Very high81 Ų8128.2 Ų28.242%0.41515%0.151SC..EExtended strand (participates in β ladder)trans-117.5111.9167-59.6172.3000107.3A87 T88 V89I71-A87 PolarHBondContact N-O 2.92Å; I71-T88 HydrophobicContact CB-CG2 3.99Å; I71-T88 HydrophobicContact CG2-CG2 4.15Å; I71-T88 CarbonylContact O-C 3.12Å; I71-T88 VanDerWaalsContact O-CA 3.28Å; I71-T88 WeakPolarHBondContact O-CA 3.38Å; I71-V89 PolarHBondContact O-N 2.8Å
72I98.9Very high98.8Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-115.6121.8-179-51-58.2000108.2T48 V49 V50 H51 T58 I60 I66 C70 C75 I77 I83 V89T48-I72 HydrophobicContact CG2-CG1 4.44Å; V49-I72 PolarHBondContact O-N 3.14Å; V50-I72 WeakPolarHBondContact CA-O 3.43Å; V50-I72 HydrophobicContact CG1-CB 4.28Å; V50-I72 HydrophobicContact CG1-CG2 4.39Å; V50-I72 HydrophobicContact CG2-CB 4.39Å; H51-I72 PolarHBondContact N-O 3.37Å; T58-I72 HydrophobicContact CG2-CG2 3.79Å; I60-I72 HydrophobicContact CD1-CG2 4.16Å; I66-I72 HydrophobicContact CD1-CD1 4.45Å; I66-I72 HydrophobicContact CG2-CD1 3.98Å; I66-I72 HydrophobicContact CG2-CG1 3.71Å; C70-I72 HydrophobicContact CB-CD1 4.03Å; C70-I72 HydrophobicContact CB-CG1 4.27Å; I72-C75 WeakPolarHBondContact CG2-SG 3.43Å; I72-I77 HydrophobicContact CD1-CD1 4.21Å; I72-I77 HydrophobicContact CG2-CD1 3.9Å; I72-I83 HydrophobicContact CD1-CG2 4.17Å; I72-V89 HydrophobicContact CD1-CB 4.13Å; I72-V89 HydrophobicContact CD1-CG2 3.93Å
73H98.8Very high98.8Very high44 Ų4424.5 Ų24.520%0.20413%0.133CC..EExtended strand (participates in β ladder)trans-142.6120.9-171.9-157.3-63.6000111.7H51 V52 C75 V89 L90 N91H51-H73 AromaticContact CG-NE2 3.88Å; H51-H73 AromaticContact ND1-CD2 3.89Å; H51-H73 AromaticContact ND1-NE2 3.26Å; H51-H73 PolarHBondContact ND1-NE2 3.19Å; V52-H73 PolarHBondContact O-CE1 3.38Å; V52-H73 VanDerWaalsContact O-CE1 3.26Å; H73-C75 VanDerWaalsContact C-N 3.29Å; H73-C75 PolarHBondContact O-N 3.48Å; H73-C75 VanDerWaalsContact O-N 3.15Å; H73-V89 PolarHBondContact N-O 2.94Å; H73-L90 CarbonylContact O-C 3.52Å; H73-N91 PolarHBondContact ND1-OD1 3.01Å; H73-N91 VanDerWaalsContact O-CA 3.29Å; H73-N91 WeakPolarHBondContact O-CA 3.4Å; H73-N91 PolarHBondContact O-N 2.85Å; H73-N91 PolarHBondContact O-OD1 2.84Å
74G98.7Very high98.8Very high2 Ų219.9 Ų19.92%0.02112%0.118CC..SBendtrans5038.4171.800000115.8H51 A56 P57 T58 N91 H92H51-G74 PolarHBondContact O-N 3.34Å; A56-G74 VanDerWaalsContact O-CA 3.3Å; A56-G74 WeakPolarHBondContact O-CA 3.28Å; P57-G74 CarbonylContact O-C 3.53Å; P57-G74 VanDerWaalsContact O-C 3.27Å; P57-G74 WeakPolarHBondContact O-CA 3.32Å; T58-G74 WeakPolarHBondContact OG1-CA 3.32Å; T58-G74 PolarHBondContact OG1-N 3.06Å; G74-N91 WeakPolarHBondContact CA-OD1 3.21Å; G74-N91 PolarHBondContact N-OD1 3.39Å; G74-N91 CarbonylContact O-C 3.48Å; G74-N91 WeakPolarHBondContact O-CA 3.43Å; G74-H92 PolarHBondContact O-N 3.15Å
75C98.8Very high98.8Very high2 Ų225.4 Ų25.41%0.01415%0.145CC..  trans-127.2168.8-170.968.30000112.8P57 T58 V59 I72 H73 V89 A93P57-C75 PolarHBondContact O-N 3.15Å; T58-C75 WeakPolarHBondContact CA-O 3.37Å; V59-C75 PolarHBondContact N-O 3.5Å; I72-C75 WeakPolarHBondContact CG2-SG 3.43Å; H73-C75 VanDerWaalsContact C-N 3.29Å; H73-C75 PolarHBondContact O-N 3.48Å; H73-C75 VanDerWaalsContact O-N 3.15Å; C75-V89 HydrophobicContact CB-CG1 3.84Å; C75-V89 VanDerWaalsContact SG-CG1 3.53Å; C75-A93 HydrophobicContact CB-CB 4.22Å; C75-A93 VanDerWaalsContact CB-O 3.32Å; C75-A93 WeakPolarHBondContact CB-O 3.3Å
76T98.9Very high98.8Very high43 Ų4327 Ų2726%0.26416%0.161SC..EExtended strand (participates in β ladder)trans-111.1127.3172.8-58.20000110.6V59 A93 E94 I95V59-T76 HydrophobicContact CB-CG2 4.38Å; V59-T76 CarbonylContact O-C 3.59Å; V59-T76 VanDerWaalsContact O-CA 3.31Å; V59-T76 WeakPolarHBondContact O-CA 3.29Å; T76-A93 PolarHBondContact N-O 3.5Å; T76-E94 CarbonylContact O-C 3.52Å; T76-E94 WeakPolarHBondContact O-CA 3.31Å; T76-I95 PolarHBondContact O-N 3.11Å
77I98.9Very high98.8Very high0 Ų027 Ų270%016%0.161CC..EExtended strand (participates in β ladder)trans-122.7110.8176.7-57.4171000108V59 I60 E61 V64 I66 I72 A81 I83 I95V59-I77 PolarHBondContact O-N 2.95Å; I60-I77 HydrophobicContact CD1-CD1 4.45Å; I60-I77 HydrophobicContact CG1-CD1 4.38Å; I60-I77 HydrophobicContact CG2-CB 4.31Å; E61-I77 PolarHBondContact N-O 3.13Å; V64-I77 HydrophobicContact CG1-CG2 3.65Å; V64-I77 HydrophobicContact CG2-CG2 4.15Å; I66-I77 HydrophobicContact CD1-CD1 3.63Å; I72-I77 HydrophobicContact CD1-CD1 4.21Å; I72-I77 HydrophobicContact CG2-CD1 3.9Å; I77-A81 HydrophobicContact CG2-CB 3.76Å; I77-I83 HydrophobicContact CD1-CD1 4.23Å; I77-I83 HydrophobicContact CD1-CG1 3.95Å; I77-I83 HydrophobicContact CG2-CD1 4.29Å; I77-I83 HydrophobicContact CG2-CG1 4.46Å; I77-I95 HydrophobicContact CB-CB 4.49Å; I77-I95 HydrophobicContact CG1-CB 4.33Å; I77-I95 HydrophobicContact CG1-CG1 4.05Å; I77-I95 HydrophobicContact CG2-CB 4.23Å
78H98.9Very high98.8Very high34 Ų3428.2 Ų28.216%0.15717%0.168CC..  trans-79164.1-174.4-67-70.5000113.2E61 V64 A81 E94 I95 E97E61-H78 VanDerWaalsContact CD-ND1 3.3Å; E61-H78 IonicContact OE1-CE1 3.53Å; E61-H78 IonicContact OE1-CG 3.61Å; E61-H78 IonicContact OE1-ND1 3.37Å; E61-H78 PolarHBondContact OE1-ND1 2.72Å; E61-H78 WeakPolarHBondContact OE2-CA 3.42Å; E61-H78 IonicContact OE2-ND1 3.25Å; V64-H78 VanDerWaalsContact CG2-O 3.3Å; V64-H78 WeakPolarHBondContact CG2-O 3.3Å; H78-A81 VanDerWaalsContact O-CB 3.22Å; H78-A81 WeakPolarHBondContact O-CB 3.4Å; H78-A81 PolarHBondContact O-N 3.01Å; H78-E94 IonicContact CD2-OE1 2.75Å; H78-E94 VanDerWaalsContact NE2-CG 3.31Å; H78-E94 WeakPolarHBondContact NE2-CG 3.35Å; H78-E94 IonicContact NE2-OE1 3.53Å; H78-E94 PolarHBondContact NE2-OE1 2.84Å; H78-I95 WeakPolarHBondContact CB-O 3.18Å; H78-I95 PolarHBondContact CD2-O 2.86Å; H78-I95 VanDerWaalsContact CD2-O 3.25Å; H78-I95 PolarHBondContact N-O 2.95Å; H78-E97 HydrophobicContact CB-CB 4.49Å; H78-E97 HydrophobicContact CB-CG 3.83Å
79S98.8Very high98.8Very high33 Ų3325 Ų2523%0.23115%0.153CC..THydrogen-bonded Turntrans-54.2139.9-168.2-620000113.6E61 D62 A81 E97 N98E61-S79 VanDerWaalsContact CB-OG 3.27Å; E61-S79 WeakPolarHBondContact CB-OG 3.4Å; E61-S79 PolarHBondContact OE2-N 3.4Å; E61-S79 PolarHBondContact OE2-OG 2.67Å; D62-S79 PolarHBondContact N-OG 2.99Å; D62-S79 CarbonylContact O-C 3.53Å; D62-S79 WeakPolarHBondContact O-CA 3.47Å; D62-S79 WeakPolarHBondContact O-CB 3.38Å; S79-A81 PolarHBondContact O-N 3.47Å; S79-E97 WeakPolarHBondContact O-CA 3.44Å; S79-N98 PolarHBondContact O-N 3.26Å
80G98.5Very high98.8Very high3 Ų324.6 Ų24.63%0.03114%0.143CC..THydrogen-bonded Turntrans73.3-1.5178.200000115.9D62 Y63 N98 N138D62-G80 PolarHBondContact O-N 3.23Å; Y63-G80 WeakPolarHBondContact O-CA 3.4Å; G80-N98 WeakPolarHBondContact O-CA 3.1Å; G80-N138 WeakPolarHBondContact O-CB 3.33Å
81A98.9Very high98.8Very high1 Ų125.2 Ų25.21%0.00815%0.146CC..  trans-66.1154.717700000112.2V64 T65 I77 H78 S79 I95 S99V64-A81 WeakPolarHBondContact CA-O 3.31Å; T65-A81 PolarHBondContact N-O 3.15Å; I77-A81 HydrophobicContact CG2-CB 3.76Å; H78-A81 VanDerWaalsContact O-CB 3.22Å; H78-A81 WeakPolarHBondContact O-CB 3.4Å; H78-A81 PolarHBondContact O-N 3.01Å; S79-A81 PolarHBondContact O-N 3.47Å; A81-I95 HydrophobicContact CB-CG2 4.16Å; A81-S99 CarbonylContact C-O 3.58Å; A81-S99 VanDerWaalsContact CA-O 3.24Å; A81-S99 WeakPolarHBondContact CA-O 3.36Å; A81-S99 WeakPolarHBondContact CB-O 3.25Å
82L98.9Very high98.8Very high30 Ų3025.8 Ų25.816%0.15715%0.147CC..EExtended strand (participates in β ladder)trans-126.1118.7174.4-171.9150.2000109.9T65 S99 L100 I101 N138T65-L82 HydrophobicContact CG2-CD1 4.06Å; T65-L82 HydrophobicContact CG2-CG 3.86Å; T65-L82 CarbonylContact O-C 3.59Å; T65-L82 WeakPolarHBondContact O-CA 3.28Å; L82-S99 PolarHBondContact N-O 2.7Å; L82-L100 HydrophobicContact CB-CG 4.4Å; L82-L100 HydrophobicContact CD2-CD1 4.2Å; L82-L100 HydrophobicContact CD2-CG 4.01Å; L82-L100 CarbonylContact O-C 3.47Å; L82-L100 WeakPolarHBondContact O-CA 3.41Å; L82-I101 PolarHBondContact O-N 3.1Å; L82-N138 HydrophobicContact CB-CB 4.49Å
83I98.9Very high98.8Very high0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-94113.4170.7-49.2-54.6000107.8T65 I66 G67 I72 I77 A87 V89 I95 I101T65-I83 PolarHBondContact O-N 2.89Å; I66-I83 HydrophobicContact CD1-CB 4.18Å; I66-I83 HydrophobicContact CD1-CG1 3.58Å; G67-I83 VanDerWaalsContact CA-O 3.3Å; G67-I83 WeakPolarHBondContact CA-O 3.47Å; G67-I83 PolarHBondContact N-O 3.25Å; I72-I83 HydrophobicContact CD1-CG2 4.17Å; I77-I83 HydrophobicContact CD1-CD1 4.23Å; I77-I83 HydrophobicContact CD1-CG1 3.95Å; I77-I83 HydrophobicContact CG2-CD1 4.29Å; I77-I83 HydrophobicContact CG2-CG1 4.46Å; I83-A87 HydrophobicContact CG2-CB 3.76Å; I83-V89 HydrophobicContact CD1-CG2 4.38Å; I83-V89 HydrophobicContact CG2-CG2 4.26Å; I83-I95 HydrophobicContact CD1-CG1 4.22Å; I83-I95 HydrophobicContact CD1-CG2 4.18Å; I83-I101 HydrophobicContact CD1-CB 4.05Å; I83-I101 HydrophobicContact CD1-CG1 3.58Å
84G98.8Very high98.8Very high9 Ų927.8 Ų27.89%0.09316%0.156CC..  trans-63.7145.5179.400000111.1C70 A87 I101C70-G84 PolarHBondContact SG-O 2.8Å; G84-A87 WeakPolarHBondContact O-CB 3.35Å; G84-A87 PolarHBondContact O-N 3.15Å; G84-A87 VanDerWaalsContact O-N 3.14Å; G84-I101 VanDerWaalsContact CA-O 3.28Å; G84-I101 WeakPolarHBondContact CA-O 3.38Å; G84-I101 PolarHBondContact N-O 3.28Å
85M98.8Very high98.8Very high116 Ų11627.7 Ų27.757%0.57116%0.155SC*.THydrogen-bonded Turntrans-47.9142.5-177.767.2-170.5-173.700113.3H68 A87 A103 G104H68-M85 HydrophobicContact CB-CB 4.29Å; H68-M85 CarbonylContact O-C 3.51Å; H68-M85 WeakPolarHBondContact O-CA 3.46Å; H68-M85 WeakPolarHBondContact O-CB 3.39Å; M85-A87 PolarHBondContact O-N 2.67Å; M85-A103 HydrophobicContact CE-CB 4.38Å; M85-A103 HydrophobicContact CG-CB 3.84Å; M85-A103 CarbonylContact O-C 3.59Å; M85-A103 WeakPolarHBondContact O-CA 3.49Å; M85-A103 VanDerWaalsContact O-CB 3.31Å; M85-A103 WeakPolarHBondContact O-CB 3.45Å; M85-G104 PolarHBondContact O-N 3.25Å
86G98.6Very high98.8Very high36 Ų3628 Ų2837%0.37116%0.159SC..THydrogen-bonded Turntrans69.43.7179.600000115H68 A69H68-G86 PolarHBondContact O-N 2.91Å; A69-G86 WeakPolarHBondContact O-CA 3.23Å
87A98.9Very high98.8Very high0 Ų030.9 Ų30.90%017%0.169CC..  trans-74.6152.3176.700000111.5C70 I71 I83 G84 M85 I101 S105C70-A87 VanDerWaalsContact CA-O 3.23Å; C70-A87 WeakPolarHBondContact CA-O 3.37Å; C70-A87 WeakPolarHBondContact CB-O 3.23Å; I71-A87 PolarHBondContact N-O 2.92Å; I83-A87 HydrophobicContact CG2-CB 3.76Å; G84-A87 WeakPolarHBondContact O-CB 3.35Å; G84-A87 PolarHBondContact O-N 3.15Å; G84-A87 VanDerWaalsContact O-N 3.14Å; M85-A87 PolarHBondContact O-N 2.67Å; A87-I101 HydrophobicContact CB-CG2 4.17Å; A87-S105 CarbonylContact C-O 3.35Å; A87-S105 VanDerWaalsContact CA-O 3.23Å; A87-S105 WeakPolarHBondContact CA-O 3.34Å; A87-S105 WeakPolarHBondContact CB-O 3.47Å
88T98.9Very high98.8Very high31 Ų3131.7 Ų31.719%0.1917%0.173CC..EExtended strand (participates in β ladder)trans-116.6128.3175.3-57.30000109I71 L90 S105 L106 V107I71-T88 HydrophobicContact CB-CG2 3.99Å; I71-T88 HydrophobicContact CG2-CG2 4.15Å; I71-T88 CarbonylContact O-C 3.12Å; I71-T88 VanDerWaalsContact O-CA 3.28Å; I71-T88 WeakPolarHBondContact O-CA 3.38Å; T88-L90 HydrophobicContact CG2-CD2 3.62Å; T88-L90 HydrophobicContact CG2-CG 4.3Å; T88-S105 PolarHBondContact N-O 3Å; T88-L106 HydrophobicContact CG2-CD1 3.75Å; T88-L106 WeakPolarHBondContact O-CA 3.13Å; T88-V107 PolarHBondContact O-N 2.93Å
89V98.9Very high98.8Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-120114.1174.5-174.10000108.3I71 I72 H73 C75 I83 A93 I95 V107I71-V89 PolarHBondContact O-N 2.8Å; I72-V89 HydrophobicContact CD1-CB 4.13Å; I72-V89 HydrophobicContact CD1-CG2 3.93Å; H73-V89 PolarHBondContact N-O 2.94Å; C75-V89 HydrophobicContact CB-CG1 3.84Å; C75-V89 VanDerWaalsContact SG-CG1 3.53Å; I83-V89 HydrophobicContact CD1-CG2 4.38Å; I83-V89 HydrophobicContact CG2-CG2 4.26Å; V89-A93 HydrophobicContact CG1-CB 3.8Å; V89-I95 HydrophobicContact CG1-CD1 4.29Å; V89-I95 HydrophobicContact CG1-CG1 4.28Å; V89-V107 HydrophobicContact CB-CB 4.47Å; V89-V107 HydrophobicContact CG1-CB 4.19Å; V89-V107 HydrophobicContact CG1-CG1 4.43Å; V89-V107 HydrophobicContact CG2-CB 4.34Å; V89-V107 HydrophobicContact CG2-CG2 4.25Å
90L98.8Very high98.8Very high50 Ų5030.3 Ų30.326%0.26217%0.165SC..  trans-88.7171.3-174.2-60.1-175000113.2H73 T88 A93 L106 V107 E109H73-L90 CarbonylContact O-C 3.52Å; T88-L90 HydrophobicContact CG2-CD2 3.62Å; T88-L90 HydrophobicContact CG2-CG 4.3Å; L90-A93 WeakPolarHBondContact O-CB 3.46Å; L90-A93 PolarHBondContact O-N 3.22Å; L90-L106 HydrophobicContact CD1-CD1 4Å; L90-L106 HydrophobicContact CD2-CD1 4.44Å; L90-L106 HydrophobicContact CG-CD1 3.97Å; L90-V107 PolarHBondContact N-O 2.64Å; L90-E109 HydrophobicContact CB-CG 3.72Å; L90-E109 HydrophobicContact CD1-CG 4.15Å
91N98.7Very high98.8Very high15 Ų1530.2 Ų30.28%0.0816%0.163CC..THydrogen-bonded Turntrans-47.5142.7-177.2-73.4-15.9000113.4D53 A56 H73 G74 A93 E109 G110D53-N91 PolarHBondContact OD2-ND2 2.87Å; A56-N91 HydrophobicContact CB-CB 4.48Å; H73-N91 PolarHBondContact ND1-OD1 3.01Å; H73-N91 VanDerWaalsContact O-CA 3.29Å; H73-N91 WeakPolarHBondContact O-CA 3.4Å; H73-N91 PolarHBondContact O-N 2.85Å; H73-N91 PolarHBondContact O-OD1 2.84Å; G74-N91 WeakPolarHBondContact CA-OD1 3.21Å; G74-N91 PolarHBondContact N-OD1 3.39Å; G74-N91 CarbonylContact O-C 3.48Å; G74-N91 WeakPolarHBondContact O-CA 3.43Å; N91-A93 PolarHBondContact O-N 3.15Å; N91-E109 HydrophobicContact CB-CG 4.25Å; N91-E109 CarbonylContact O-C 3.59Å; N91-E109 WeakPolarHBondContact O-CA 3.46Å; N91-E109 WeakPolarHBondContact O-CB 3.45Å; N91-G110 PolarHBondContact O-N 3.47Å
92H98.7Very high98.8Very high93 Ų9330.4 Ų30.443%0.43117%0.166SC..THydrogen-bonded Turntrans60.66.2176.2-53.3-64000114.5D55 G74 G110D55-H92 IonicContact OD1-NE2 2.81Å; D55-H92 IonicContact OD2-CE1 3.92Å; D55-H92 PolarHBondContact OD2-CE1 2.87Å; D55-H92 IonicContact OD2-NE2 3.54Å; D55-H92 PolarHBondContact OD2-NE2 2.89Å; G74-H92 PolarHBondContact O-N 3.15Å; H92-G110 WeakPolarHBondContact O-CA 3.4Å
93A98.8Very high98.8Very high1 Ų131 Ų311%0.00818%0.175CC..  trans-70.3149.4170.900000110.8C75 T76 V89 L90 N91 V107 T111C75-A93 HydrophobicContact CB-CB 4.22Å; C75-A93 VanDerWaalsContact CB-O 3.32Å; C75-A93 WeakPolarHBondContact CB-O 3.3Å; T76-A93 PolarHBondContact N-O 3.5Å; V89-A93 HydrophobicContact CG1-CB 3.8Å; L90-A93 WeakPolarHBondContact O-CB 3.46Å; L90-A93 PolarHBondContact O-N 3.22Å; N91-A93 PolarHBondContact O-N 3.15Å; A93-V107 HydrophobicContact CB-CG1 3.81Å; A93-T111 VanDerWaalsContact CA-O 3.31Å; A93-T111 WeakPolarHBondContact CA-O 3.41Å; A93-T111 WeakPolarHBondContact CB-O 3.42Å
94E98.9Very high98.8Very high85 Ų8533.6 Ų33.640%0.39720%0.201SC..EExtended strand (participates in β ladder)trans-129.6118.6179.3-168.7-179.7134.800109.5T76 H78 T111 V112 I113T76-E94 CarbonylContact O-C 3.52Å; T76-E94 WeakPolarHBondContact O-CA 3.31Å; H78-E94 IonicContact CD2-OE1 2.75Å; H78-E94 VanDerWaalsContact NE2-CG 3.31Å; H78-E94 WeakPolarHBondContact NE2-CG 3.35Å; H78-E94 IonicContact NE2-OE1 3.53Å; H78-E94 PolarHBondContact NE2-OE1 2.84Å; E94-T111 PolarHBondContact N-O 2.92Å; E94-V112 HydrophobicContact CB-CG1 4.4Å; E94-V112 HydrophobicContact CB-CG2 4.21Å; E94-V112 WeakPolarHBondContact O-CA 3.17Å; E94-I113 PolarHBondContact O-N 2.7Å
95I98.9Very high98.8Very high0 Ų033.2 Ų33.20%020%0.197CC..EExtended strand (participates in β ladder)trans-104.7108.8178.3-48.3-54.3000108.4T76 I77 H78 A81 I83 V89 I101 V107 I113T76-I95 PolarHBondContact O-N 3.11Å; I77-I95 HydrophobicContact CB-CB 4.49Å; I77-I95 HydrophobicContact CG1-CB 4.33Å; I77-I95 HydrophobicContact CG1-CG1 4.05Å; I77-I95 HydrophobicContact CG2-CB 4.23Å; H78-I95 WeakPolarHBondContact CB-O 3.18Å; H78-I95 PolarHBondContact CD2-O 2.86Å; H78-I95 VanDerWaalsContact CD2-O 3.25Å; H78-I95 PolarHBondContact N-O 2.95Å; A81-I95 HydrophobicContact CB-CG2 4.16Å; I83-I95 HydrophobicContact CD1-CG1 4.22Å; I83-I95 HydrophobicContact CD1-CG2 4.18Å; V89-I95 HydrophobicContact CG1-CD1 4.29Å; V89-I95 HydrophobicContact CG1-CG1 4.28Å; I95-I101 HydrophobicContact CD1-CD1 4.06Å; I95-I101 HydrophobicContact CD1-CG1 4.2Å; I95-I101 HydrophobicContact CG2-CD1 4.17Å; I95-I101 HydrophobicContact CG2-CG1 4.07Å; I95-V107 HydrophobicContact CD1-CB 4.45Å; I95-V107 HydrophobicContact CD1-CG1 3.93Å; I95-V107 HydrophobicContact CD1-CG2 4.08Å; I95-I113 HydrophobicContact CD1-CB 4.16Å; I95-I113 HydrophobicContact CD1-CG1 3.87Å
96G98.8Very high98.8Very high8 Ų830 Ų308%0.08218%0.182CC..  trans-63.1160.9-177.600000114.2S99 I113G96-S99 WeakPolarHBondContact O-CB 3.25Å; G96-S99 PolarHBondContact O-N 2.87Å; G96-S99 PolarHBondContact O-OG 2.8Å; G96-I113 WeakPolarHBondContact CA-O 3.38Å; G96-I113 PolarHBondContact N-O 3.47Å
97E98.8Very high98.8Very high104 Ų10428.3 Ų28.349%0.48617%0.165SC..THydrogen-bonded Turntrans-50.7141.2-176-67.7179.4-165.700113.1H78 S79 S99 A115 N116H78-E97 HydrophobicContact CB-CB 4.49Å; H78-E97 HydrophobicContact CB-CG 3.83Å; S79-E97 WeakPolarHBondContact O-CA 3.44Å; E97-S99 PolarHBondContact O-N 3.34Å; E97-A115 HydrophobicContact CB-CB 4.23Å; E97-A115 CarbonylContact O-C 3.55Å; E97-A115 WeakPolarHBondContact O-CA 3.38Å; E97-A115 WeakPolarHBondContact O-CB 3.15Å; E97-N116 PolarHBondContact O-N 2.91Å
98N98.7Very high98.8Very high16 Ų1630.4 Ų30.49%0.08618%0.178CC..THydrogen-bonded Turntrans58.8-1.9179.6-45.1-63000116.1S79 G80 N116 L130 I135 N138S79-N98 PolarHBondContact O-N 3.26Å; G80-N98 WeakPolarHBondContact O-CA 3.1Å; N98-N116 WeakPolarHBondContact CB-OD1 3.4Å; N98-N116 PolarHBondContact ND2-OD1 3.37Å; N98-L130 WeakPolarHBondContact O-CD1 3.44Å; N98-I135 HydrophobicContact CB-CB 4.43Å; N98-I135 HydrophobicContact CB-CD1 4.48Å; N98-I135 HydrophobicContact CB-CG1 4Å; N98-I135 HydrophobicContact CB-CG2 3.85Å; N98-N138 PolarHBondContact O-ND2 3.29Å
99S98.9Very high98.8Very high0 Ų035.1 Ų35.10%020%0.198CC..  trans-64.4151.7-176.7-70.60000112.3A81 L82 G96 E97 P114 N116 S117A81-S99 CarbonylContact C-O 3.58Å; A81-S99 VanDerWaalsContact CA-O 3.24Å; A81-S99 WeakPolarHBondContact CA-O 3.36Å; A81-S99 WeakPolarHBondContact CB-O 3.25Å; L82-S99 PolarHBondContact N-O 2.7Å; G96-S99 WeakPolarHBondContact O-CB 3.25Å; G96-S99 PolarHBondContact O-N 2.87Å; G96-S99 PolarHBondContact O-OG 2.8Å; E97-S99 PolarHBondContact O-N 3.34Å; S99-P114 PolarHBondContact OG-O 3.06Å; S99-N116 PolarHBondContact OG-N 2.9Å; S99-S117 CarbonylContact C-O 3.53Å; S99-S117 VanDerWaalsContact CA-O 3.27Å; S99-S117 WeakPolarHBondContact CA-O 3.19Å; S99-S117 WeakPolarHBondContact CB-O 3.17Å; S99-S117 PolarHBondContact OG-N 3.13Å
100L98.8Very high98.7Very high39 Ų3937.3 Ų37.320%0.20422%0.22CC..EExtended strand (participates in β ladder)trans-116.1119.1177.3-167.6154.9000109.2L82 S117 L118 A119 L130L82-L100 HydrophobicContact CB-CG 4.4Å; L82-L100 HydrophobicContact CD2-CD1 4.2Å; L82-L100 HydrophobicContact CD2-CG 4.01Å; L82-L100 CarbonylContact O-C 3.47Å; L82-L100 WeakPolarHBondContact O-CA 3.41Å; L100-S117 PolarHBondContact N-O 3.26Å; L100-L118 HydrophobicContact CB-CD1 4.12Å; L100-L118 HydrophobicContact CD2-CD1 3.44Å; L100-L118 VanDerWaalsContact CD2-CD1 3.44Å; L100-L118 HydrophobicContact CG-CD1 4.29Å; L100-L118 WeakPolarHBondContact O-CA 3.5Å; L100-A119 PolarHBondContact O-N 3.32Å; L100-L130 HydrophobicContact CB-CD1 3.93Å; L100-L130 HydrophobicContact CB-CD2 4.01Å
101I98.9Very high98.7Very high0 Ų036.3 Ų36.30%022%0.216CC..EExtended strand (participates in β ladder)trans-93122.7167.6-53.9-52.6000107.3L82 I83 G84 A87 I95 V107 I113 A119L82-I101 PolarHBondContact O-N 3.1Å; I83-I101 HydrophobicContact CD1-CB 4.05Å; I83-I101 HydrophobicContact CD1-CG1 3.58Å; G84-I101 VanDerWaalsContact CA-O 3.28Å; G84-I101 WeakPolarHBondContact CA-O 3.38Å; G84-I101 PolarHBondContact N-O 3.28Å; A87-I101 HydrophobicContact CB-CG2 4.17Å; I95-I101 HydrophobicContact CD1-CD1 4.06Å; I95-I101 HydrophobicContact CD1-CG1 4.2Å; I95-I101 HydrophobicContact CG2-CD1 4.17Å; I95-I101 HydrophobicContact CG2-CG1 4.07Å; I101-V107 HydrophobicContact CD1-CG2 4.14Å; I101-V107 HydrophobicContact CG1-CG2 4.29Å; I101-V107 HydrophobicContact CG2-CG2 3.96Å; I101-I113 HydrophobicContact CD1-CB 4.42Å; I101-I113 HydrophobicContact CD1-CG1 4.01Å; I101-I113 HydrophobicContact CD1-CG2 4.12Å; I101-A119 HydrophobicContact CD1-CB 3.85Å
102G98.6Very high98.7Very high6 Ų639.7 Ų39.76%0.06224%0.237CC..PPolyproline II helixtrans-70155-177.800000113.1G104 S105 A119G102-G104 PolarHBondContact O-N 2.98Å; G102-S105 WeakPolarHBondContact O-CB 3.46Å; G102-S105 PolarHBondContact O-N 2.91Å; G102-S105 VanDerWaalsContact O-N 3.15Å; G102-S105 PolarHBondContact O-OG 2.79Å; G102-A119 PolarHBondContact N-O 3.48Å
103A98.6Very high98.7Very high43 Ų4335.4 Ų35.436%0.35522%0.217SC..THydrogen-bonded Turntrans-52.6138.7-178.900000112.5M85 S105M85-A103 HydrophobicContact CE-CB 4.38Å; M85-A103 HydrophobicContact CG-CB 3.84Å; M85-A103 CarbonylContact O-C 3.59Å; M85-A103 WeakPolarHBondContact O-CA 3.49Å; M85-A103 VanDerWaalsContact O-CB 3.31Å; M85-A103 WeakPolarHBondContact O-CB 3.45Å; A103-S105 PolarHBondContact O-N 2.87Å
104G98.5Very high98.7Very high53 Ų5338.7 Ų38.755%0.54624%0.239SC..THydrogen-bonded Turntrans67.410179.900000115.5M85 G102M85-G104 PolarHBondContact O-N 3.25Å; G102-G104 PolarHBondContact O-N 2.98Å
105S98.9Very high98.7Very high2 Ų236.6 Ų36.61%0.01424%0.235CC..  trans-76153.1178.6-58.30000111.9A87 T88 G102 A103 F120 G121A87-S105 CarbonylContact C-O 3.35Å; A87-S105 VanDerWaalsContact CA-O 3.23Å; A87-S105 WeakPolarHBondContact CA-O 3.34Å; A87-S105 WeakPolarHBondContact CB-O 3.47Å; T88-S105 PolarHBondContact N-O 3Å; G102-S105 WeakPolarHBondContact O-CB 3.46Å; G102-S105 PolarHBondContact O-N 2.91Å; G102-S105 VanDerWaalsContact O-N 3.15Å; G102-S105 PolarHBondContact O-OG 2.79Å; A103-S105 PolarHBondContact O-N 2.87Å; S105-F120 WeakPolarHBondContact OG-CA 3.35Å; S105-G121 CarbonylContact C-O 3.52Å; S105-G121 VanDerWaalsContact CA-O 3.24Å; S105-G121 WeakPolarHBondContact CA-O 3.19Å; S105-G121 VanDerWaalsContact CB-O 3.28Å; S105-G121 WeakPolarHBondContact CB-O 3.3Å; S105-G121 PolarHBondContact OG-N 2.92Å
106L98.8Very high98.7Very high49 Ų4939 Ų3926%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-112.2109.5172.5173.363.7000109.7T88 L90 T108 G121 S122 P123 A124T88-L106 HydrophobicContact CG2-CD1 3.75Å; T88-L106 WeakPolarHBondContact O-CA 3.13Å; L90-L106 HydrophobicContact CD1-CD1 4Å; L90-L106 HydrophobicContact CD2-CD1 4.44Å; L90-L106 HydrophobicContact CG-CD1 3.97Å; L106-T108 HydrophobicContact CD2-CG2 4.37Å; L106-T108 HydrophobicContact CG-CG2 4.33Å; L106-G121 PolarHBondContact N-O 3.31Å; L106-S122 WeakPolarHBondContact CB-OG 3.48Å; L106-P123 CarbonylContact O-C 3.48Å; L106-P123 WeakPolarHBondContact O-CA 3.48Å; L106-A124 WeakPolarHBondContact O-CB 3.28Å; L106-A124 PolarHBondContact O-N 3.49Å
107V98.9Very high98.7Very high0 Ų038.7 Ų38.70%025%0.245CC..EExtended strand (participates in β ladder)trans-87.7110.8168.3-175.20000107.9T88 V89 L90 A93 I95 I101 T111 I113 A124T88-V107 PolarHBondContact O-N 2.93Å; V89-V107 HydrophobicContact CB-CB 4.47Å; V89-V107 HydrophobicContact CG1-CB 4.19Å; V89-V107 HydrophobicContact CG1-CG1 4.43Å; V89-V107 HydrophobicContact CG2-CB 4.34Å; V89-V107 HydrophobicContact CG2-CG2 4.25Å; L90-V107 PolarHBondContact N-O 2.64Å; A93-V107 HydrophobicContact CB-CG1 3.81Å; I95-V107 HydrophobicContact CD1-CB 4.45Å; I95-V107 HydrophobicContact CD1-CG1 3.93Å; I95-V107 HydrophobicContact CD1-CG2 4.08Å; I101-V107 HydrophobicContact CD1-CG2 4.14Å; I101-V107 HydrophobicContact CG1-CG2 4.29Å; I101-V107 HydrophobicContact CG2-CG2 3.96Å; V107-T111 HydrophobicContact CG1-CG2 4.02Å; V107-I113 HydrophobicContact CG1-CG1 4.49Å; V107-A124 HydrophobicContact CG2-CB 3.88Å
108T98.6Very high98.7Very high44 Ų4435.2 Ų35.227%0.2723%0.229SC..  trans-69.8161.6-176.640.60000112.7L106 G110 T111 P123L106-T108 HydrophobicContact CD2-CG2 4.37Å; L106-T108 HydrophobicContact CG-CG2 4.33Å; T108-G110 PolarHBondContact O-N 3.24Å; T108-T111 WeakPolarHBondContact O-CB 3.44Å; T108-T111 PolarHBondContact O-N 3.04Å; T108-T111 VanDerWaalsContact O-N 3.14Å; T108-T111 PolarHBondContact O-OG1 3.46Å; T108-T111 PolarHBondContact OG1-OG1 3.45Å; T108-P123 HydrophobicContact CG2-CB 3.91Å
109E98.5Very high98.7Very high130 Ų13034.4 Ų34.461%0.60723%0.225SC*.THydrogen-bonded Turntrans-52.5140.2-179.9-68.1179.5-165.400112.3L90 N91 T111L90-E109 HydrophobicContact CB-CG 3.72Å; L90-E109 HydrophobicContact CD1-CG 4.15Å; N91-E109 HydrophobicContact CB-CG 4.25Å; N91-E109 CarbonylContact O-C 3.59Å; N91-E109 WeakPolarHBondContact O-CA 3.46Å; N91-E109 WeakPolarHBondContact O-CB 3.45Å; E109-T111 PolarHBondContact O-N 3.25Å
110G98.4Very high98.7Very high46 Ų4640 Ų4047%0.47425%0.25SC..THydrogen-bonded Turntrans65.25.6178.300000115.3N91 H92 T108 V112N91-G110 PolarHBondContact O-N 3.47Å; H92-G110 WeakPolarHBondContact O-CA 3.4Å; T108-G110 PolarHBondContact O-N 3.24Å; G110-V112 PolarHBondContact O-N 2.91Å
111T98.7Very high98.7Very high28 Ų2839.1 Ų39.117%0.17225%0.25CC..  trans-76126.7-177.4-58.70000110.2A93 E94 V107 T108 E109 I113A93-T111 VanDerWaalsContact CA-O 3.31Å; A93-T111 WeakPolarHBondContact CA-O 3.41Å; A93-T111 WeakPolarHBondContact CB-O 3.42Å; E94-T111 PolarHBondContact N-O 2.92Å; V107-T111 HydrophobicContact CG1-CG2 4.02Å; T108-T111 WeakPolarHBondContact O-CB 3.44Å; T108-T111 PolarHBondContact O-N 3.04Å; T108-T111 VanDerWaalsContact O-N 3.14Å; T108-T111 PolarHBondContact O-OG1 3.46Å; T108-T111 PolarHBondContact OG1-OG1 3.45Å; E109-T111 PolarHBondContact O-N 3.25Å; T111-I113 HydrophobicContact CG2-CD1 4.05Å
112V98.8Very high98.7Very high86 Ų8643.3 Ų43.352%0.52128%0.279SS..EExtended strand (participates in β ladder)trans-99.9119.4174.1-178.10000109.5E94 G110E94-V112 HydrophobicContact CB-CG1 4.4Å; E94-V112 HydrophobicContact CB-CG2 4.21Å; E94-V112 WeakPolarHBondContact O-CA 3.17Å; G110-V112 PolarHBondContact O-N 2.91Å
113I98.8Very high98.7Very high4 Ų445.7 Ų45.72%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-98.8115.2170.4-59.2-59.5000108E94 I95 G96 I101 V107 T111 A119 V126E94-I113 PolarHBondContact O-N 2.7Å; I95-I113 HydrophobicContact CD1-CB 4.16Å; I95-I113 HydrophobicContact CD1-CG1 3.87Å; G96-I113 WeakPolarHBondContact CA-O 3.38Å; G96-I113 PolarHBondContact N-O 3.47Å; I101-I113 HydrophobicContact CD1-CB 4.42Å; I101-I113 HydrophobicContact CD1-CG1 4.01Å; I101-I113 HydrophobicContact CD1-CG2 4.12Å; V107-I113 HydrophobicContact CG1-CG1 4.49Å; T111-I113 HydrophobicContact CG2-CD1 4.05Å; I113-A119 HydrophobicContact CD1-CB 3.88Å; I113-A119 HydrophobicContact CG1-CB 4.38Å; I113-A119 HydrophobicContact CG2-CB 4.05Å; I113-V126 HydrophobicContact CD1-CG2 4.32Å; I113-V126 HydrophobicContact CG2-CG2 4.42Å
114P98.8Very high98.7Very high70 Ų7043.8 Ų43.846%0.45528%0.278SS..  trans-60.1155.8-178.7-2232.8000112.4S99 S117S99-P114 PolarHBondContact OG-O 3.06Å; P114-S117 WeakPolarHBondContact O-CB 3.47Å; P114-S117 PolarHBondContact O-N 3.35Å; P114-S117 PolarHBondContact O-OG 3Å
115A98.8Very high98.7Very high40 Ų4047.9 Ų47.933%0.33128%0.277SS..THydrogen-bonded Turntrans-53.9153175.200000112.9E97 S117 Q129E97-A115 HydrophobicContact CB-CB 4.23Å; E97-A115 CarbonylContact O-C 3.55Å; E97-A115 WeakPolarHBondContact O-CA 3.38Å; E97-A115 WeakPolarHBondContact O-CB 3.15Å; A115-S117 PolarHBondContact O-N 3.27Å; A115-S117 VanDerWaalsContact O-N 3.15Å; A115-S117 PolarHBondContact O-OG 3.39Å; A115-Q129 PolarHBondContact O-OE1 2.98Å
116N98.7Very high98.7Very high52 Ų5251 Ų5128%0.27830%0.296SS..THydrogen-bonded Turntrans55.626.1179.5-47.1-58.9000113.7E97 N98 S99 Q129 L130 I135E97-N116 PolarHBondContact O-N 2.91Å; N98-N116 WeakPolarHBondContact CB-OD1 3.4Å; N98-N116 PolarHBondContact ND2-OD1 3.37Å; S99-N116 PolarHBondContact OG-N 2.9Å; N116-Q129 CarbonylContact O-C 3.51Å; N116-Q129 VanDerWaalsContact O-CA 3.31Å; N116-Q129 WeakPolarHBondContact O-CA 3.37Å; N116-Q129 PolarHBondContact O-OE1 2.89Å; N116-L130 PolarHBondContact O-N 2.84Å; N116-I135 HydrophobicContact CB-CD1 4.15Å; N116-I135 WeakPolarHBondContact OD1-CD1 3.34Å
117S98.8Very high98.6Very high0 Ų053.8 Ų53.80%031%0.31CS..EExtended strand (participates in β ladder)trans-98139.8-177.7-61.10000111.7S99 L100 P114 A115 Q129S99-S117 CarbonylContact C-O 3.53Å; S99-S117 VanDerWaalsContact CA-O 3.27Å; S99-S117 WeakPolarHBondContact CA-O 3.19Å; S99-S117 WeakPolarHBondContact CB-O 3.17Å; S99-S117 PolarHBondContact OG-N 3.13Å; L100-S117 PolarHBondContact N-O 3.26Å; P114-S117 WeakPolarHBondContact O-CB 3.47Å; P114-S117 PolarHBondContact O-N 3.35Å; P114-S117 PolarHBondContact O-OG 3Å; A115-S117 PolarHBondContact O-N 3.27Å; A115-S117 VanDerWaalsContact O-N 3.15Å; A115-S117 PolarHBondContact O-OG 3.39Å; S117-Q129 PolarHBondContact OG-NE2 3.07Å; S117-Q129 VanDerWaalsContact OG-NE2 3.16Å
118L98.8Very high98.6Very high31 Ų3158.7 Ų58.716%0.16233%0.328CS..EExtended strand (participates in β ladder)trans-88.7118.2157.517660.4000108.2L100 I127 R128 L130L100-L118 HydrophobicContact CB-CD1 4.12Å; L100-L118 HydrophobicContact CD2-CD1 3.44Å; L100-L118 VanDerWaalsContact CD2-CD1 3.44Å; L100-L118 HydrophobicContact CG-CD1 4.29Å; L100-L118 WeakPolarHBondContact O-CA 3.5Å; L118-I127 PolarHBondContact O-N 2.79Å; L118-R128 HydrophobicContact CB-CG 4.18Å; L118-R128 HydrophobicContact CD2-CG 4.16Å; L118-R128 PolarHBondContact N-O 2.88Å; L118-L130 HydrophobicContact CB-CD2 3.85Å; L118-L130 HydrophobicContact CB-CG 4.44Å
119A98.8Very high98.6Very high0 Ų061.6 Ų61.60%034%0.339CS..EExtended strand (participates in β ladder)trans-118.9142.7171.600000111.4L100 I101 G102 I113 R125L100-A119 PolarHBondContact O-N 3.32Å; I101-A119 HydrophobicContact CD1-CB 3.85Å; G102-A119 PolarHBondContact N-O 3.48Å; I113-A119 HydrophobicContact CD1-CB 3.88Å; I113-A119 HydrophobicContact CG1-CB 4.38Å; I113-A119 HydrophobicContact CG2-CB 4.05Å; A119-R125 WeakPolarHBondContact CA-O 3.23Å
120F98.4Very high98.6Very high117 Ų11756.1 Ų56.151%0.51331%0.313SS..EExtended strand (participates in β ladder)trans-145.7149.3-177.2-169.2-89.4000111.2S105 R125 I127S105-F120 WeakPolarHBondContact OG-CA 3.35Å; F120-R125 PolarHBondContact N-O 2.79Å; F120-R125 PolarHBondContact O-N 3.1Å; F120-I127 HydrophobicContact CB-CD1 4.42Å; F120-I127 HydrophobicContact CB-CG1 4.01Å
121G98.5Very high98.6Very high20 Ų2056.5 Ų56.521%0.20631%0.306CS..EExtended strand (participates in β ladder)trans113.2-178.3166.600000114.8S105 L106 P123 A124S105-G121 CarbonylContact C-O 3.52Å; S105-G121 VanDerWaalsContact CA-O 3.24Å; S105-G121 WeakPolarHBondContact CA-O 3.19Å; S105-G121 VanDerWaalsContact CB-O 3.28Å; S105-G121 WeakPolarHBondContact CB-O 3.3Å; S105-G121 PolarHBondContact OG-N 2.92Å; L106-G121 PolarHBondContact N-O 3.31Å; G121-P123 CarbonylContact C-O 3.52Å; G121-P123 CarbonylContact O-C 3.6Å; G121-A124 VanDerWaalsContact O-CA 3.31Å; G121-A124 WeakPolarHBondContact O-CA 3.34Å; G121-A124 PolarHBondContact O-N 3.19Å
122S98.4Very high98.6Very high89 Ų8959.7 Ų59.762%0.62233%0.328SS*.THydrogen-bonded Turntrans-133.295.7175.9178.30000109.3L106L106-S122 WeakPolarHBondContact CB-OG 3.48Å
123P98.3Very high98.6Very high56 Ų5661.7 Ų61.736%0.36433%0.331SS..THydrogen-bonded Turncis-76.5152.24.334.7-38.4000112.7L106 T108 G121 R125L106-P123 CarbonylContact O-C 3.48Å; L106-P123 WeakPolarHBondContact O-CA 3.48Å; T108-P123 HydrophobicContact CG2-CB 3.91Å; G121-P123 CarbonylContact C-O 3.52Å; G121-P123 CarbonylContact O-C 3.6Å; P123-R125 VanDerWaalsContact CG-CZ 3.47Å; P123-R125 VanDerWaalsContact CG-NH2 3.29Å
124A98.7Very high98.5Very high2 Ų264 Ų642%0.01734%0.342CS..EExtended strand (participates in β ladder)trans-65.8137.2179.100000110.5L106 V107 G121L106-A124 WeakPolarHBondContact O-CB 3.28Å; L106-A124 PolarHBondContact O-N 3.49Å; V107-A124 HydrophobicContact CG2-CB 3.88Å; G121-A124 VanDerWaalsContact O-CA 3.31Å; G121-A124 WeakPolarHBondContact O-CA 3.34Å; G121-A124 PolarHBondContact O-N 3.19Å
125R98.6Very high98.5Very high140 Ų14061.9 Ų61.953%0.52833%0.327SS..EExtended strand (participates in β ladder)trans-134.1144.9176-63-67.5-179.3-101.85.3109.6A119 F120 P123 I127A119-R125 WeakPolarHBondContact CA-O 3.23Å; F120-R125 PolarHBondContact N-O 2.79Å; F120-R125 PolarHBondContact O-N 3.1Å; P123-R125 VanDerWaalsContact CG-CZ 3.47Å; P123-R125 VanDerWaalsContact CG-NH2 3.29Å; R125-I127 PolarHBondContact O-N 3.01Å
126V98.7Very high98.5Very high68 Ų6864 Ų6441%0.41233%0.33SS..EExtended strand (participates in β ladder)trans-62.1123.9173.6178.70000108.8I113I113-V126 HydrophobicContact CD1-CG2 4.32Å; I113-V126 HydrophobicContact CG2-CG2 4.42Å
127I98.2Very high98.5Very high107 Ų10768 Ų6855%0.54935%0.345SS..EExtended strand (participates in β ladder)trans-94.4-47178.4-55-55.5000109.9L118 F120 R125L118-I127 PolarHBondContact O-N 2.79Å; F120-I127 HydrophobicContact CB-CD1 4.42Å; F120-I127 HydrophobicContact CB-CG1 4.01Å; R125-I127 PolarHBondContact O-N 3.01Å
128R98.5Very high98.4Very high102 Ų10268.3 Ų68.339%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-165.4174.5-179.159.8171.2179.583.8-2.5110.6L118 E134L118-R128 HydrophobicContact CB-CG 4.18Å; L118-R128 HydrophobicContact CD2-CG 4.16Å; L118-R128 PolarHBondContact N-O 2.88Å; R128-E134 IonicContact CZ-OE1 3.95Å; R128-E134 IonicContact CZ-OE2 2.71Å; R128-E134 IonicContact NH1-OE1 3.03Å; R128-E134 IonicContact NH1-OE2 3.62Å; R128-E134 PolarHBondContact NH1-OE2 2.87Å; R128-E134 IonicContact NH2-OE1 3.46Å; R128-E134 PolarHBondContact NH2-OE1 2.8Å; R128-E134 IonicContact NH2-OE2 3.73Å; R128-E134 PolarHBondContact NH2-OE2 2.86Å
129Q98.6Very high98.3Very high106 Ų10672.4 Ų72.450%0.49536%0.359SS..EExtended strand (participates in β ladder)trans-75.5149.5164.2-65.9-66.8-6800110.8A115 N116 S117A115-Q129 PolarHBondContact O-OE1 2.98Å; N116-Q129 CarbonylContact O-C 3.51Å; N116-Q129 VanDerWaalsContact O-CA 3.31Å; N116-Q129 WeakPolarHBondContact O-CA 3.37Å; N116-Q129 PolarHBondContact O-OE1 2.89Å; S117-Q129 PolarHBondContact OG-NE2 3.07Å; S117-Q129 VanDerWaalsContact OG-NE2 3.16Å
130L98.5Very high98.2Very high14 Ų1479.6 Ų79.67%0.07339%0.387CS..PPolyproline II helixtrans-72.9149.9170.3-67.9174.3000110.4N98 L100 N116 L118 E134 I135N98-L130 WeakPolarHBondContact O-CD1 3.44Å; L100-L130 HydrophobicContact CB-CD1 3.93Å; L100-L130 HydrophobicContact CB-CD2 4.01Å; N116-L130 PolarHBondContact O-N 2.84Å; L118-L130 HydrophobicContact CB-CD2 3.85Å; L118-L130 HydrophobicContact CB-CG 4.44Å; L130-E134 VanDerWaalsContact CA-OE2 3.27Å; L130-E134 WeakPolarHBondContact CA-OE2 3.45Å; L130-E134 HydrophobicContact CB-CB 4.16Å; L130-E134 HydrophobicContact CD2-CB 4.01Å; L130-E134 WeakPolarHBondContact CD2-OE2 3.37Å; L130-I135 HydrophobicContact CB-CD1 4.5Å; L130-I135 HydrophobicContact CB-CG1 4.03Å; L130-I135 HydrophobicContact CD1-CG1 4.39Å
131T98.5Very high98.2Very high54 Ų5476.1 Ų76.133%0.33137%0.374SS..PPolyproline II helixtrans-78.8159.2169.483.10000110.4E133 E134 I135T131-E133 WeakPolarHBondContact CB-OE2 3.17Å; T131-E133 PolarHBondContact O-N 2.76Å; T131-E133 PolarHBondContact OG1-N 3.14Å; T131-E133 PolarHBondContact OG1-OE2 2.79Å; T131-E134 PolarHBondContact N-OE2 2.99Å; T131-E134 WeakPolarHBondContact O-CB 3.44Å; T131-E134 PolarHBondContact O-N 3.43Å; T131-E134 VanDerWaalsContact O-N 3.07Å; T131-E134 PolarHBondContact OG1-N 3.31Å; T131-I135 PolarHBondContact O-N 3.27Å; T131-I135 VanDerWaalsContact O-N 3.09Å
132P98.3Very high98.2Very high95 Ų9575.2 Ų75.262%0.61736%0.364SS*.Hα-helixtrans-54.1-35.4174-27.236.5000113.5I135 E136P132-I135 PolarHBondContact O-N 2.96Å; P132-E136 WeakPolarHBondContact O-CB 3.4Å; P132-E136 PolarHBondContact O-N 2.85Å
133E98.3Very high98.1Very high128 Ų12874.6 Ų74.660%0.59835%0.351SS*.Hα-helixtrans-68.4-35.8178.4-58.572.4-157.200112.2T131 K137T131-E133 WeakPolarHBondContact CB-OE2 3.17Å; T131-E133 PolarHBondContact O-N 2.76Å; T131-E133 PolarHBondContact OG1-N 3.14Å; T131-E133 PolarHBondContact OG1-OE2 2.79Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 3.18Å
134E98.4Very high98.1Very high52 Ų5276.2 Ų76.224%0.24335%0.353CS..Hα-helixtrans-68.4-42.2174.7-67.8175.1137.900111R128 L130 T131 E136 K137 N138R128-E134 IonicContact CZ-OE1 3.95Å; R128-E134 IonicContact CZ-OE2 2.71Å; R128-E134 IonicContact NH1-OE1 3.03Å; R128-E134 IonicContact NH1-OE2 3.62Å; R128-E134 PolarHBondContact NH1-OE2 2.87Å; R128-E134 IonicContact NH2-OE1 3.46Å; R128-E134 PolarHBondContact NH2-OE1 2.8Å; R128-E134 IonicContact NH2-OE2 3.73Å; R128-E134 PolarHBondContact NH2-OE2 2.86Å; L130-E134 VanDerWaalsContact CA-OE2 3.27Å; L130-E134 WeakPolarHBondContact CA-OE2 3.45Å; L130-E134 HydrophobicContact CB-CB 4.16Å; L130-E134 HydrophobicContact CD2-CB 4.01Å; L130-E134 WeakPolarHBondContact CD2-OE2 3.37Å; T131-E134 PolarHBondContact N-OE2 2.99Å; T131-E134 WeakPolarHBondContact O-CB 3.44Å; T131-E134 PolarHBondContact O-N 3.43Å; T131-E134 VanDerWaalsContact O-N 3.07Å; T131-E134 PolarHBondContact OG1-N 3.31Å; E134-E136 PolarHBondContact O-N 3.22Å; E134-K137 WeakPolarHBondContact O-CB 3.25Å; E134-K137 PolarHBondContact O-N 3.05Å; E134-N138 PolarHBondContact O-N 3.16Å; E134-N138 VanDerWaalsContact O-N 3.08Å; E134-N138 PolarHBondContact O-OD1 3.16Å
135I98.5Very high98.1Very high26 Ų2677.4 Ų77.413%0.13336%0.358CS..Hα-helixtrans-60.5-46.3174.6-66.3169000110.7N98 N116 L130 T131 P132 K137 N138 R139N98-I135 HydrophobicContact CB-CB 4.43Å; N98-I135 HydrophobicContact CB-CD1 4.48Å; N98-I135 HydrophobicContact CB-CG1 4Å; N98-I135 HydrophobicContact CB-CG2 3.85Å; N116-I135 HydrophobicContact CB-CD1 4.15Å; N116-I135 WeakPolarHBondContact OD1-CD1 3.34Å; L130-I135 HydrophobicContact CB-CD1 4.5Å; L130-I135 HydrophobicContact CB-CG1 4.03Å; L130-I135 HydrophobicContact CD1-CG1 4.39Å; T131-I135 PolarHBondContact O-N 3.27Å; T131-I135 VanDerWaalsContact O-N 3.09Å; P132-I135 PolarHBondContact O-N 2.96Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 3.05Å; I135-N138 WeakPolarHBondContact O-CB 3.35Å; I135-N138 PolarHBondContact O-N 3.46Å; I135-R139 PolarHBondContact O-N 3.13Å
136E98Very high98.1Very high84 Ų8471.4 Ų71.439%0.39334%0.336SS..Hα-helixtrans-66.9-32.1178-176.353.5-150.300112.1P132 E134 N138 R139 R140P132-E136 WeakPolarHBondContact O-CB 3.4Å; P132-E136 PolarHBondContact O-N 2.85Å; E134-E136 PolarHBondContact O-N 3.22Å; E136-N138 VanDerWaalsContact C-N 3.32Å; E136-N138 PolarHBondContact O-N 3.49Å; E136-R139 PolarHBondContact O-N 3.37Å; E136-R139 IonicContact OE2-NH1 3.95Å; E136-R140 WeakPolarHBondContact O-CG 3.35Å; E136-R140 PolarHBondContact O-N 3.27Å
137K98.1Very high98Very high138 Ų13873.1 Ų73.160%0.634%0.339SS*.Hα-helixtrans-62.7-39.5172.7-174.5-177.5175-173.50111.5E133 E134 I135 R140 N141E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 3.18Å; E134-K137 WeakPolarHBondContact O-CB 3.25Å; E134-K137 PolarHBondContact O-N 3.05Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 3.05Å; K137-R140 PolarHBondContact O-N 3.46Å; K137-N141 PolarHBondContact O-N 3.23Å
138N97.8Very high98Very high5 Ų570 Ų703%0.02732%0.323CS..Hα-helixtrans-60.1-47176.3-66.4-6.7000111.1G80 L82 N98 E134 I135 E136 R140 N141 A142G80-N138 WeakPolarHBondContact O-CB 3.33Å; L82-N138 HydrophobicContact CB-CB 4.49Å; N98-N138 PolarHBondContact O-ND2 3.29Å; E134-N138 PolarHBondContact O-N 3.16Å; E134-N138 VanDerWaalsContact O-N 3.08Å; E134-N138 PolarHBondContact O-OD1 3.16Å; I135-N138 WeakPolarHBondContact O-CB 3.35Å; I135-N138 PolarHBondContact O-N 3.46Å; E136-N138 VanDerWaalsContact C-N 3.32Å; E136-N138 PolarHBondContact O-N 3.49Å; N138-R140 PolarHBondContact O-N 3.16Å; N138-N141 WeakPolarHBondContact O-CB 3.24Å; N138-N141 PolarHBondContact O-N 3.4Å; N138-N141 VanDerWaalsContact O-N 3.15Å; N138-A142 PolarHBondContact O-N 3.28Å; N138-A142 VanDerWaalsContact O-N 3.15Å
139R96Very high97.9Very high117 Ų11765.1 Ų65.144%0.44231%0.305SS..Hα-helixtrans-61.5-44.9176.9-68.4-166.2-175.1122.73.3113.1I135 E136 N141 A142 Q143I135-R139 PolarHBondContact O-N 3.13Å; E136-R139 PolarHBondContact O-N 3.37Å; E136-R139 IonicContact OE2-NH1 3.95Å; R139-N141 PolarHBondContact O-N 2.87Å; R139-A142 PolarHBondContact O-N 2.97Å; R139-Q143 PolarHBondContact O-N 3.25Å
140R98Very high97.9Very high152 Ų15261.7 Ų61.757%0.57429%0.289SS*.Hα-helixtrans-61.1-34.2175.9-74.1-173.6-66.5156-3.6112.1E136 K137 N138 Q143 H144E136-R140 WeakPolarHBondContact O-CG 3.35Å; E136-R140 PolarHBondContact O-N 3.27Å; K137-R140 PolarHBondContact O-N 3.46Å; N138-R140 PolarHBondContact O-N 3.16Å; R140-Q143 PolarHBondContact O-N 2.9Å; R140-H144 WeakPolarHBondContact O-CB 3.32Å; R140-H144 PolarHBondContact O-N 2.84Å
141N98Very high97.7Very high44 Ų4462.1 Ų62.124%0.23529%0.294CS..Hα-helixtrans-64.6-45.1175.2-168.872.1000111.7T65 K137 N138 R139 Q143 H144 Y145T65-N141 WeakPolarHBondContact CG2-ND2 3.18Å; T65-N141 PolarHBondContact OG1-ND2 3.24Å; K137-N141 PolarHBondContact O-N 3.23Å; N138-N141 WeakPolarHBondContact O-CB 3.24Å; N138-N141 PolarHBondContact O-N 3.4Å; N138-N141 VanDerWaalsContact O-N 3.15Å; R139-N141 PolarHBondContact O-N 2.87Å; N141-Q143 VanDerWaalsContact C-N 3.35Å; N141-Q143 PolarHBondContact O-N 3.02Å; N141-H144 PolarHBondContact O-N 2.84Å; N141-Y145 WeakPolarHBondContact O-CD2 3.42Å; N141-Y145 PolarHBondContact O-N 2.9Å
142A97.5Very high97.6Very high0 Ų062.9 Ų62.90%029%0.292CS..Hα-helixtrans-59.2-45.3175.600000112.2N138 R139 H144 Y145 F146N138-A142 PolarHBondContact O-N 3.28Å; N138-A142 VanDerWaalsContact O-N 3.15Å; R139-A142 PolarHBondContact O-N 2.97Å; A142-H144 PolarHBondContact O-N 3.17Å; A142-Y145 PolarHBondContact O-N 3.48Å; A142-F146 PolarHBondContact O-N 3.5Å
143Q97.6Very high97.4Very high76 Ų7661.4 Ų61.436%0.35528%0.284SS..Hα-helixtrans-60.4-44.3175.2-179.258.74200112.3R139 R140 N141 Y145 F146 E147R139-Q143 PolarHBondContact O-N 3.25Å; R140-Q143 PolarHBondContact O-N 2.9Å; N141-Q143 VanDerWaalsContact C-N 3.35Å; N141-Q143 PolarHBondContact O-N 3.02Å; Q143-Y145 PolarHBondContact O-N 2.67Å; Q143-F146 WeakPolarHBondContact O-CB 3.35Å; Q143-F146 PolarHBondContact O-N 2.93Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.32Å; Q143-E147 PolarHBondContact NE2-OE1 2.9Å; Q143-E147 WeakPolarHBondContact O-CG 3.41Å; Q143-E147 PolarHBondContact O-N 2.79Å
144H98.2Very high97.2Very high90 Ų9062.3 Ų62.342%0.41729%0.286SS..Hα-helixtrans-60.9-43.8178.3179.654.3000112.2R140 N141 A142 F146 E147 L148R140-H144 WeakPolarHBondContact O-CB 3.32Å; R140-H144 PolarHBondContact O-N 2.84Å; N141-H144 PolarHBondContact O-N 2.84Å; A142-H144 PolarHBondContact O-N 3.17Å; H144-F146 VanDerWaalsContact C-N 3.34Å; H144-F146 PolarHBondContact O-N 2.89Å; H144-E147 PolarHBondContact O-N 3.12Å; H144-L148 WeakPolarHBondContact NE2-CD1 3.27Å; H144-L148 WeakPolarHBondContact O-CG 3.15Å; H144-L148 PolarHBondContact O-N 3.05Å
145Y98.3Very high96.8Very high27 Ų2766 Ų6611%0.10631%0.307CS..Hα-helixtrans-66.3-34.7177.2-92.7-83.7000112.8W24 N43 Q45 H68 N141 A142 Q143 L148 G149W24-Y145 HydrophobicContact CD2-CD1 4.18Å; W24-Y145 HydrophobicContact CD2-CE1 4.16Å; W24-Y145 AromaticContact CE2-CD1 3.42Å; W24-Y145 VanDerWaalsContact CE2-CD1 3.42Å; W24-Y145 AromaticContact CE2-CE1 3.86Å; W24-Y145 HydrophobicContact CH2-CD1 4.44Å; W24-Y145 AromaticContact CZ2-CD1 3.58Å; W24-Y145 HydrophobicContact CZ2-CD1 3.58Å; W24-Y145 HydrophobicContact CZ2-CE1 4.2Å; W24-Y145 WeakPolarHBondContact CZ2-O 3.32Å; W24-Y145 AromaticContact NE1-CD1 3.39Å; W24-Y145 AromaticContact NE1-CE1 3.98Å; N43-Y145 HydrophobicContact CB-CD1 4.15Å; N43-Y145 HydrophobicContact CB-CG 3.95Å; Q45-Y145 HydrophobicContact CG-CD1 4.28Å; Q45-Y145 HydrophobicContact CG-CE1 3.69Å; Q45-Y145 HydrophobicContact CG-CE2 4.38Å; Q45-Y145 PolarHBondContact NE2-OH 3.22Å; Q45-Y145 PolarHBondContact OE1-OH 2.76Å; H68-Y145 PolarHBondContact CE1-OH 3.5Å; H68-Y145 VanDerWaalsContact CE1-OH 3.23Å; H68-Y145 PolarHBondContact NE2-OH 2.87Å; N141-Y145 WeakPolarHBondContact O-CD2 3.42Å; N141-Y145 PolarHBondContact O-N 2.9Å; A142-Y145 PolarHBondContact O-N 3.48Å; Q143-Y145 PolarHBondContact O-N 2.67Å; Y145-L148 PolarHBondContact O-N 3.19Å; Y145-G149 PolarHBondContact O-N 2.88Å
146F98.1Very high96.5Very high15 Ų1569.9 Ų69.97%0.06633%0.332CS..Hα-helixtrans-60.2-48.7169.9168.8-105.6000111.8M1 G20 M41 A142 Q143 H144 L148 G149 Q150M1-F146 HydrophobicContact CB-CE2 4.19Å; M1-F146 HydrophobicContact CB-CZ 3.9Å; M1-F146 HydrophobicContact CE-CE1 4.49Å; M1-F146 HydrophobicContact CE-CZ 4.21Å; M1-F146 HydrophobicContact CG-CZ 4.32Å; M1-F146 HydrophobicContact SD-CE1 4.06Å; M1-F146 HydrophobicContact SD-CZ 3.58Å; M1-F146 VanDerWaalsContact SD-CZ 3.58Å; G20-F146 WeakPolarHBondContact O-CD2 3.22Å; M41-F146 HydrophobicContact CE-CB 3.41Å; M41-F146 VanDerWaalsContact CE-CB 3.41Å; M41-F146 HydrophobicContact CE-CD1 3.61Å; M41-F146 HydrophobicContact CE-CD2 4.21Å; M41-F146 HydrophobicContact CE-CE1 4.44Å; M41-F146 HydrophobicContact CE-CG 3.46Å; M41-F146 VanDerWaalsContact CE-CG 3.46Å; M41-F146 HydrophobicContact SD-CB 3.96Å; M41-F146 HydrophobicContact SD-CD1 4.09Å; M41-F146 HydrophobicContact SD-CD2 3.75Å; M41-F146 HydrophobicContact SD-CE2 4.26Å; M41-F146 HydrophobicContact SD-CG 3.64Å; A142-F146 PolarHBondContact O-N 3.5Å; Q143-F146 WeakPolarHBondContact O-CB 3.35Å; Q143-F146 PolarHBondContact O-N 2.93Å; H144-F146 VanDerWaalsContact C-N 3.34Å; H144-F146 PolarHBondContact O-N 2.89Å; F146-L148 PolarHBondContact O-N 2.75Å; F146-G149 PolarHBondContact O-N 3.48Å; F146-G149 VanDerWaalsContact O-N 3.16Å; F146-Q150 HydrophobicContact CE1-CG 4.1Å; F146-Q150 HydrophobicContact CE2-CG 4.03Å; F146-Q150 VanDerWaalsContact CE2-NE2 3.33Å; F146-Q150 HydrophobicContact CZ-CG 3.8Å; F146-Q150 WeakPolarHBondContact O-CG 3.24Å; F146-Q150 PolarHBondContact O-N 2.95Å
147E97.3Very high96.1Very high103 Ų10368.9 Ų68.948%0.48133%0.329SS..Hα-helixtrans-60.9-42.6178.7-71.3165.7-170.100112.3Q143 H144 Q150 A151Q143-E147 WeakPolarHBondContact CG-OE1 3.32Å; Q143-E147 PolarHBondContact NE2-OE1 2.9Å; Q143-E147 WeakPolarHBondContact O-CG 3.41Å; Q143-E147 PolarHBondContact O-N 2.79Å; H144-E147 PolarHBondContact O-N 3.12Å; E147-Q150 WeakPolarHBondContact O-CB 3.38Å; E147-Q150 PolarHBondContact O-N 3.02Å; E147-A151 PolarHBondContact O-N 2.84Å
148L97.4Very high95.5Very high42 Ų4266.3 Ų66.322%0.2233%0.329CS..Hα-helixtrans-60.8-47.1173-72.8175.7000110.8W24 H144 Y145 F146 Q150 A151 Y152 I157W24-L148 HydrophobicContact CH2-CB 3.55Å; W24-L148 HydrophobicContact CZ2-CB 4.01Å; H144-L148 WeakPolarHBondContact NE2-CD1 3.27Å; H144-L148 WeakPolarHBondContact O-CG 3.15Å; H144-L148 PolarHBondContact O-N 3.05Å; Y145-L148 PolarHBondContact O-N 3.19Å; F146-L148 PolarHBondContact O-N 2.75Å; L148-Q150 PolarHBondContact O-N 2.89Å; L148-A151 WeakPolarHBondContact O-CA 3.44Å; L148-A151 WeakPolarHBondContact O-CB 3.47Å; L148-A151 PolarHBondContact O-N 3.5Å; L148-Y152 VanDerWaalsContact O-CD2 3.32Å; L148-Y152 WeakPolarHBondContact O-CD2 3.3Å; L148-Y152 PolarHBondContact O-N 3.04Å; L148-I157 HydrophobicContact CD2-CD1 3.97Å
149G97.4Very high95Very high0 Ų077.2 Ų77.20%037%0.369CS..Hα-helixtrans-55.4-39.6176.400000112.4Y145 F146 S153Y145-G149 PolarHBondContact O-N 2.88Å; F146-G149 PolarHBondContact O-N 3.48Å; F146-G149 VanDerWaalsContact O-N 3.16Å; G149-S153 VanDerWaalsContact O-CB 3.24Å; G149-S153 WeakPolarHBondContact O-CB 3.28Å; G149-S153 PolarHBondContact O-N 2.93Å
150Q96.8Very high94.5Very high33 Ų3377.7 Ų77.715%0.15438%0.379CS..Hα-helixtrans-64.3-41.9172.8-62.6-54.2-65.600112.5A2 F146 E147 L148 S153 K154A2-Q150 PolarHBondContact O-NE2 3.25Å; F146-Q150 HydrophobicContact CE1-CG 4.1Å; F146-Q150 HydrophobicContact CE2-CG 4.03Å; F146-Q150 VanDerWaalsContact CE2-NE2 3.33Å; F146-Q150 HydrophobicContact CZ-CG 3.8Å; F146-Q150 WeakPolarHBondContact O-CG 3.24Å; F146-Q150 PolarHBondContact O-N 2.95Å; E147-Q150 WeakPolarHBondContact O-CB 3.38Å; E147-Q150 PolarHBondContact O-N 3.02Å; L148-Q150 PolarHBondContact O-N 2.89Å; Q150-S153 PolarHBondContact O-N 3.25Å; Q150-K154 WeakPolarHBondContact O-CB 3.3Å; Q150-K154 VanDerWaalsContact O-CG 3.27Å; Q150-K154 WeakPolarHBondContact O-CG 3.44Å; Q150-K154 PolarHBondContact O-N 2.86Å
151A96.1Very high93.6Very high23 Ų2380 Ų8019%0.1940%0.397CS..Hα-helixtrans-66.2-40.6179.100000112.3E147 L148 N155 T156 I157E147-A151 PolarHBondContact O-N 2.84Å; L148-A151 WeakPolarHBondContact O-CA 3.44Å; L148-A151 WeakPolarHBondContact O-CB 3.47Å; L148-A151 PolarHBondContact O-N 3.5Å; A151-N155 PolarHBondContact O-N 2.86Å; A151-T156 PolarHBondContact O-N 3.28Å; A151-I157 HydrophobicContact CB-CD1 3.85Å; A151-I157 HydrophobicContact CB-CG1 4.11Å; A151-I157 PolarHBondContact O-N 3.01Å
152Y95.6Very high92.6Very high70 Ų7080.5 Ų80.528%0.27541%0.412SS..Hα-helixtrans-66.8-45.9173.6-84.6-87.6000111.7F4 W24 F25 L148 K154 N155 I157F4-Y152 HydrophobicContact CZ-CG 4.23Å; W24-Y152 AromaticContact CH2-CD2 3.78Å; W24-Y152 HydrophobicContact CH2-CD2 3.78Å; W24-Y152 HydrophobicContact CH2-CE2 4.06Å; W24-Y152 AromaticContact CZ3-CD2 3.68Å; W24-Y152 HydrophobicContact CZ3-CD2 3.68Å; W24-Y152 AromaticContact CZ3-CE2 3.67Å; W24-Y152 HydrophobicContact CZ3-CE2 3.67Å; W24-Y152 HydrophobicContact CZ3-CG 4.37Å; F25-Y152 HydrophobicContact CE2-CD1 4.22Å; F25-Y152 AromaticContact CE2-CE1 3.81Å; F25-Y152 HydrophobicContact CE2-CE1 3.81Å; F25-Y152 AromaticContact CZ-CD1 3.69Å; F25-Y152 HydrophobicContact CZ-CD1 3.69Å; F25-Y152 AromaticContact CZ-CE1 3.55Å; F25-Y152 HydrophobicContact CZ-CE1 3.55Å; L148-Y152 VanDerWaalsContact O-CD2 3.32Å; L148-Y152 WeakPolarHBondContact O-CD2 3.3Å; L148-Y152 PolarHBondContact O-N 3.04Å; Y152-K154 PolarHBondContact O-N 3.2Å; Y152-N155 PolarHBondContact O-N 3.49Å; Y152-I157 HydrophobicContact CD1-CB 4.33Å; Y152-I157 HydrophobicContact CD1-CG2 4.32Å; Y152-I157 HydrophobicContact CD2-CB 4.31Å; Y152-I157 HydrophobicContact CD2-CD1 3.96Å; Y152-I157 HydrophobicContact CE1-CB 4.21Å; Y152-I157 HydrophobicContact CE1-CG2 3.72Å; Y152-I157 HydrophobicContact CE2-CB 4.17Å; Y152-I157 HydrophobicContact CE2-CD1 3.67Å; Y152-I157 HydrophobicContact CE2-CG2 3.97Å; Y152-I157 HydrophobicContact CG-CB 4.4Å
153S94.1Very high91.3Very high65 Ų6587.6 Ų87.646%0.45546%0.455SS..Hα-helixtrans-59.1-34.6176.8-179.20000112.7G149 Q150 N155G149-S153 VanDerWaalsContact O-CB 3.24Å; G149-S153 WeakPolarHBondContact O-CB 3.28Å; G149-S153 PolarHBondContact O-N 2.93Å; Q150-S153 PolarHBondContact O-N 3.25Å; S153-N155 VanDerWaalsContact C-N 3.3Å; S153-N155 PolarHBondContact O-N 3.09Å
154K93.7Very high89.8Confident147 Ų14788.7 Ų88.764%0.63947%0.467SS*.THydrogen-bonded Turntrans-85.45176-66.9171.5-174.2172.90113.8Q150 Y152 T156Q150-K154 WeakPolarHBondContact O-CB 3.3Å; Q150-K154 VanDerWaalsContact O-CG 3.27Å; Q150-K154 WeakPolarHBondContact O-CG 3.44Å; Q150-K154 PolarHBondContact O-N 2.86Å; Y152-K154 PolarHBondContact O-N 3.2Å; K154-T156 PolarHBondContact O-N 3.45Å; K154-T156 VanDerWaalsContact O-N 3.09Å
155N89.6Confident88.2Confident129 Ų12993.4 Ų93.469%0.6949%0.489SS*.THydrogen-bonded Turntrans52.427-173.9-66.6-55.7000114A151 Y152 S153 I157A151-N155 PolarHBondContact O-N 2.86Å; Y152-N155 PolarHBondContact O-N 3.49Å; S153-N155 VanDerWaalsContact C-N 3.3Å; S153-N155 PolarHBondContact O-N 3.09Å; N155-I157 VanDerWaalsContact C-N 3.29Å
156T92.1Very high86.4Confident108 Ų108101.2 Ų101.266%0.66353%0.526SS*.SBendtrans-73.3-29.6173.1-510000110.5A151 K154A151-T156 PolarHBondContact O-N 3.28Å; K154-T156 PolarHBondContact O-N 3.45Å; K154-T156 VanDerWaalsContact O-N 3.09Å
157I91.1Very high84.7Confident62 Ų62103.9 Ų103.932%0.31856%0.558SS.*SBendtrans-105.2108.8165-58170.1000106.5L148 A151 Y152 N155L148-I157 HydrophobicContact CD2-CD1 3.97Å; A151-I157 HydrophobicContact CB-CD1 3.85Å; A151-I157 HydrophobicContact CB-CG1 4.11Å; A151-I157 PolarHBondContact O-N 3.01Å; Y152-I157 HydrophobicContact CD1-CB 4.33Å; Y152-I157 HydrophobicContact CD1-CG2 4.32Å; Y152-I157 HydrophobicContact CD2-CB 4.31Å; Y152-I157 HydrophobicContact CD2-CD1 3.96Å; Y152-I157 HydrophobicContact CE1-CB 4.21Å; Y152-I157 HydrophobicContact CE1-CG2 3.72Å; Y152-I157 HydrophobicContact CE2-CB 4.17Å; Y152-I157 HydrophobicContact CE2-CD1 3.67Å; Y152-I157 HydrophobicContact CE2-CG2 3.97Å; Y152-I157 HydrophobicContact CG-CB 4.4Å; N155-I157 VanDerWaalsContact C-N 3.29Å
158S85.7Confident82.2Confident85 Ų85110.6 Ų110.659%0.59460%0.597SS**  trans-110.4149.9-176.261.40000111.9I160S158-I160 PolarHBondContact O-N 3.49Å
159R85.3Confident81.5Confident234 Ų234114 Ų11488%0.88362%0.616SS**  trans-57.3131.2170.3-172.8173.4-174.5149.32110.4Q161R159-Q161 PolarHBondContact O-N 3.38Å
160I87.2Confident80.7Confident126 Ų126120 Ų12065%0.64665%0.648SS**  trans-69.4129.8177.4-58.3174.9000109.1S158 T164S158-I160 PolarHBondContact O-N 3.49Å; I160-T164 HydrophobicContact CD1-CG2 4.23Å; I160-T164 HydrophobicContact CG2-CG2 4.38Å
161Q78.2Confident79.8Confident202 Ų202124.8 Ų124.894%0.94468%0.676SS**  trans-100.314.5-175.5-67.2-171.8-2100114.6R159R159-Q161 PolarHBondContact O-N 3.38Å
162G76.7Confident78.8Confident54 Ų54130.8 Ų130.856%0.55770%0.704SS**SBendtrans-164-174.8-173.400000115.2T164G162-T164 PolarHBondContact O-N 3.4Å
163V69.5Low77.7Confident149 Ų149134.6 Ų134.690%0.90373%0.731SS**  trans-70.2120.7179.9-161.40000109.3
164T67Low76.7Confident98 Ų98139.3 Ų139.360%0.60175%0.75SS**  trans-67.2140.5173.649.20000109.8I160 G162 E166I160-T164 HydrophobicContact CD1-CG2 4.23Å; I160-T164 HydrophobicContact CG2-CG2 4.38Å; G162-T164 PolarHBondContact O-N 3.4Å; T164-E166 PolarHBondContact O-N 3.04Å
165H64.3Low75.4Confident189 Ų189138.7 Ų138.788%0.87576%0.758SS**  trans-32.6127.9-176.6-79.2-76.4000114.5G167H165-G167 PolarHBondContact O-N 3.43Å
166E60.6Low74.3Confident191 Ų191139.5 Ų139.589%0.89376%0.763SS**  trans-56.6108.8159.8-69.7-175.3169.900107.4T164 N168T164-E166 PolarHBondContact O-N 3.04Å; E166-N168 PolarHBondContact O-N 3.47Å
167G61.7Low72.9Confident72 Ų72142.1 Ų142.174%0.74277%0.771SS**  trans-64.8130.117100000109.5H165H165-G167 PolarHBondContact O-N 3.43Å
168N46.9Very low71.2Confident243 Ų243149.4 Ų149.4100%1.29981%0.813SS**  trans-83.90155-94.5-3.4000109.1E166E166-N168 PolarHBondContact O-N 3.47Å

Retrieved 168 of 168 residues in 88.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).